A0A087X125_HUMAN Loading...

Cytochrome P450 family 2 subfamily C member 19

AlphaFold DB , UniProt , Accession A0A087X125, Species HUMAN (Homo sapiens, Human), Gene CYP2C19, Length 162 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
1M64.3Low89.3Confident190 Ų19099.7 Ų99.794%0.93654%0.543SS*.  0135.40-73.6-175.4152.300107.3V6M1-V6 HydrophobicContact CB-CG2 3.85Å
2D89.3Confident89.4Confident99 Ų9995.3 Ų95.353%0.52953%0.525SS..  trans-58.1132.9177.3-171.6-64.9000109.6F4 V5 V6D2-F4 PolarHBondContact O-N 3.26Å; D2-F4 VanDerWaalsContact O-N 3.1Å; D2-F4 WeakPolarHBondContact OD1-CA 3.35Å; D2-F4 WeakPolarHBondContact OD1-CB 3.48Å; D2-F4 PolarHBondContact OD1-N 3.15Å; D2-V5 HydrophobicContact CB-CB 4.39Å; D2-V5 HydrophobicContact CB-CG2 3.98Å; D2-V5 WeakPolarHBondContact O-CB 3.46Å; D2-V5 PolarHBondContact O-N 3.4Å; D2-V6 PolarHBondContact O-N 3.22Å; D2-V6 VanDerWaalsContact O-N 3.15Å
3P88.9Confident89.4Confident105 Ų10593.3 Ų93.368%0.68252%0.521SS*.Hα-helixtrans-50.8-32.2177.6-27.434.8000113.7V6 L7P3-V6 PolarHBondContact O-N 3.01Å; P3-L7 WeakPolarHBondContact O-CB 3.5Å; P3-L7 PolarHBondContact O-N 3.38Å
4F91.6Very high89.3Confident144 Ų14494.6 Ų94.663%0.63253%0.525SS*.Hα-helixtrans-64.8-43.6174.4-177-101.3000112.2D2 V6 L7 V8D2-F4 PolarHBondContact O-N 3.26Å; D2-F4 VanDerWaalsContact O-N 3.1Å; D2-F4 WeakPolarHBondContact OD1-CA 3.35Å; D2-F4 WeakPolarHBondContact OD1-CB 3.48Å; D2-F4 PolarHBondContact OD1-N 3.15Å; F4-V6 VanDerWaalsContact C-N 3.33Å; F4-V6 PolarHBondContact O-N 3.02Å; F4-L7 PolarHBondContact O-N 3.34Å; F4-V8 HydrophobicContact CD1-CG2 4.24Å; F4-V8 HydrophobicContact CE1-CG2 3.89Å; F4-V8 HydrophobicContact CE2-CG2 4.35Å; F4-V8 HydrophobicContact CZ-CG2 3.95Å; F4-V8 WeakPolarHBondContact O-CG2 3.4Å; F4-V8 PolarHBondContact O-N 2.92Å
5V91.9Very high89.1Confident69 Ų6994.1 Ų94.142%0.41852%0.521SS..Hα-helixtrans-64.6-40.5178.2174.90000110.7D2 V8 L9D2-V5 HydrophobicContact CB-CB 4.39Å; D2-V5 HydrophobicContact CB-CG2 3.98Å; D2-V5 WeakPolarHBondContact O-CB 3.46Å; D2-V5 PolarHBondContact O-N 3.4Å; V5-V8 PolarHBondContact O-N 3.25Å; V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 WeakPolarHBondContact O-CG 3.38Å; V5-L9 PolarHBondContact O-N 3.18Å
6V91.6Very high88.9Confident65 Ų6595.4 Ų95.439%0.39453%0.525SS..Hα-helixtrans-63.8-43.6175.2179.40000110.7M1 D2 P3 F4 L9 C10M1-V6 HydrophobicContact CB-CG2 3.85Å; D2-V6 PolarHBondContact O-N 3.22Å; D2-V6 VanDerWaalsContact O-N 3.15Å; P3-V6 PolarHBondContact O-N 3.01Å; F4-V6 VanDerWaalsContact C-N 3.33Å; F4-V6 PolarHBondContact O-N 3.02Å; V6-L9 PolarHBondContact O-N 3.47Å; V6-C10 WeakPolarHBondContact O-CB 3.45Å; V6-C10 PolarHBondContact O-N 3.5Å; V6-C10 PolarHBondContact O-SG 3.45Å
7L93.7Very high88.7Confident99 Ų9995.8 Ų95.852%0.51853%0.526SS..Hα-helixtrans-61.6-46.4177.5-17865.5000112P3 F4 C10 L11P3-L7 WeakPolarHBondContact O-CB 3.5Å; P3-L7 PolarHBondContact O-N 3.38Å; F4-L7 PolarHBondContact O-N 3.34Å; L7-C10 PolarHBondContact O-N 3.02Å; L7-L11 HydrophobicContact CD1-CD1 4.4Å; L7-L11 HydrophobicContact CD1-CG 4.45Å; L7-L11 HydrophobicContact CG-CD1 4.14Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.06Å
8V94.1Very high88.2Confident69 Ų6992.3 Ų92.342%0.41851%0.509SS..Hα-helixtrans-62.6-43.9178.6171.80000110.9F4 V5 L11 S12F4-V8 HydrophobicContact CD1-CG2 4.24Å; F4-V8 HydrophobicContact CE1-CG2 3.89Å; F4-V8 HydrophobicContact CE2-CG2 4.35Å; F4-V8 HydrophobicContact CZ-CG2 3.95Å; F4-V8 WeakPolarHBondContact O-CG2 3.4Å; F4-V8 PolarHBondContact O-N 2.92Å; V5-V8 PolarHBondContact O-N 3.25Å; V8-L11 PolarHBondContact O-N 3.28Å; V8-S12 WeakPolarHBondContact O-CB 3.43Å; V8-S12 PolarHBondContact O-N 3.37Å; V8-S12 PolarHBondContact O-OG 2.96Å
9L93.3Very high87.7Confident88 Ų8891.8 Ų91.846%0.46151%0.505SS..Hα-helixtrans-61.2-46.3175.6-77.4168000111.3V5 V6 L11 S12 C13V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 WeakPolarHBondContact O-CG 3.38Å; V5-L9 PolarHBondContact O-N 3.18Å; V6-L9 PolarHBondContact O-N 3.47Å; L9-L11 PolarHBondContact O-N 3.05Å; L9-S12 WeakPolarHBondContact CA-OG 3.3Å; L9-S12 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.43Å; L9-C13 WeakPolarHBondContact O-CB 3.45Å; L9-C13 PolarHBondContact O-N 3.04Å; L9-C13 PolarHBondContact O-SG 3.24Å
10C91Very high87.2Confident65 Ų6596.2 Ų96.244%0.43951%0.514SS..Hα-helixtrans-58.8-46.9176.2-740000112.1V6 L7 S12 C13 L14V6-C10 WeakPolarHBondContact O-CB 3.45Å; V6-C10 PolarHBondContact O-N 3.5Å; V6-C10 PolarHBondContact O-SG 3.45Å; L7-C10 PolarHBondContact O-N 3.02Å; C10-S12 VanDerWaalsContact C-N 3.35Å; C10-S12 PolarHBondContact O-N 3.41Å; C10-C13 PolarHBondContact O-N 3.48Å; C10-L14 WeakPolarHBondContact O-CB 3.32Å; C10-L14 VanDerWaalsContact O-CG 3.25Å; C10-L14 WeakPolarHBondContact O-CG 3.43Å; C10-L14 PolarHBondContact O-N 3.35Å
11L92.3Very high86.6Confident104 Ų104100.8 Ų100.855%0.54552%0.524SS..Hα-helixtrans-63.6-40.5177.8-70.6173.2000111.9L7 V8 L9 L14 L15L7-L11 HydrophobicContact CD1-CD1 4.4Å; L7-L11 HydrophobicContact CD1-CG 4.45Å; L7-L11 HydrophobicContact CG-CD1 4.14Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.06Å; V8-L11 PolarHBondContact O-N 3.28Å; L9-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 PolarHBondContact O-N 2.95Å
12S90.8Very high86.9Confident47 Ų4793.3 Ų93.333%0.32949%0.487SS..Hα-helixtrans-65.4-43177.474.30000112.1V8 L9 C10 L15 L16V8-S12 WeakPolarHBondContact O-CB 3.43Å; V8-S12 PolarHBondContact O-N 3.37Å; V8-S12 PolarHBondContact O-OG 2.96Å; L9-S12 WeakPolarHBondContact CA-OG 3.3Å; L9-S12 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.43Å; C10-S12 VanDerWaalsContact C-N 3.35Å; C10-S12 PolarHBondContact O-N 3.41Å; S12-L15 PolarHBondContact O-N 2.88Å; S12-L16 WeakPolarHBondContact O-CG 3.14Å; S12-L16 PolarHBondContact O-N 2.68Å
13C90.1Very high85.9Confident69 Ų6991.5 Ų91.547%0.46648%0.482SS..Hα-helixtrans-62.1-44.3173.5-76.90000111.8L9 C10 L15 L16 L17L9-C13 WeakPolarHBondContact O-CB 3.45Å; L9-C13 PolarHBondContact O-N 3.04Å; L9-C13 PolarHBondContact O-SG 3.24Å; C10-C13 PolarHBondContact O-N 3.48Å; C13-L15 VanDerWaalsContact C-N 3.32Å; C13-L15 PolarHBondContact O-N 3.43Å; C13-L16 PolarHBondContact O-N 3.27Å; C13-L17 WeakPolarHBondContact O-CB 3.37Å; C13-L17 VanDerWaalsContact O-CG 3.25Å; C13-L17 WeakPolarHBondContact O-CG 3.33Å; C13-L17 PolarHBondContact O-N 2.89Å
14L87.8Confident84.8Confident111 Ų11190.5 Ų90.558%0.58148%0.478SS*.Hα-helixtrans-62.9-39.4176.8-72.5172.5000112C10 L11 S18C10-L14 WeakPolarHBondContact O-CB 3.32Å; C10-L14 VanDerWaalsContact O-CG 3.25Å; C10-L14 WeakPolarHBondContact O-CG 3.43Å; C10-L14 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.48Å; L14-S18 VanDerWaalsContact O-CB 3.3Å; L14-S18 WeakPolarHBondContact O-CB 3.47Å; L14-S18 PolarHBondContact O-N 3.33Å
15L86.3Confident83.5Confident88 Ų8884.9 Ų84.946%0.46146%0.46SS..Hα-helixtrans-64-47.7176.1-173.769.2000111.3L11 S12 C13 S18 I19 P37L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 PolarHBondContact O-N 2.95Å; S12-L15 PolarHBondContact O-N 2.88Å; C13-L15 VanDerWaalsContact C-N 3.32Å; C13-L15 PolarHBondContact O-N 3.43Å; L15-S18 WeakPolarHBondContact O-CB 3.45Å; L15-S18 PolarHBondContact O-N 2.99Å; L15-I19 HydrophobicContact CG-CD1 4.08Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.34Å; L15-P37 HydrophobicContact CD1-CB 3.93Å; L15-P37 HydrophobicContact CD1-CG 3.58Å
16L86.4Confident82.2Confident114 Ų11486.1 Ų86.160%0.59746%0.457SS*.Hα-helixtrans-62.2-43.9177.6-71.6171.1000111.8S12 C13 S18 I19 W20S12-L16 WeakPolarHBondContact O-CG 3.14Å; S12-L16 PolarHBondContact O-N 2.68Å; C13-L16 PolarHBondContact O-N 3.27Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 2.84Å; L16-I19 PolarHBondContact O-N 3.05Å; L16-W20 WeakPolarHBondContact O-CB 3.47Å; L16-W20 PolarHBondContact O-N 3.36Å
17L83.9Confident80.9Confident102 Ų10286.9 Ų86.953%0.53448%0.478SS..Hα-helixtrans-61.4-40.1174.2-74.3170.1000111.8C13 R21C13-L17 WeakPolarHBondContact O-CB 3.37Å; C13-L17 VanDerWaalsContact O-CG 3.25Å; C13-L17 WeakPolarHBondContact O-CG 3.33Å; C13-L17 PolarHBondContact O-N 2.89Å; L17-R21 VanDerWaalsContact O-CB 3.24Å; L17-R21 WeakPolarHBondContact O-CB 3.16Å; L17-R21 PolarHBondContact O-N 3.44Å
18S79.9Confident80.3Confident33 Ų3391.9 Ų91.923%0.23150%0.496CS..Hα-helixtrans-62.7-48.7176.7-174.20000111.4L14 L15 L16 R21 Q22L14-S18 VanDerWaalsContact O-CB 3.3Å; L14-S18 WeakPolarHBondContact O-CB 3.47Å; L14-S18 PolarHBondContact O-N 3.33Å; L15-S18 WeakPolarHBondContact O-CB 3.45Å; L15-S18 PolarHBondContact O-N 2.99Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 2.84Å; S18-R21 PolarHBondContact O-N 3.3Å; S18-Q22 VanDerWaalsContact O-CB 3.29Å; S18-Q22 WeakPolarHBondContact O-CB 3.38Å; S18-Q22 PolarHBondContact O-N 2.95Å
19I79.1Confident80.1Confident83 Ų8391.4 Ų91.443%0.42649%0.49SS..Hα-helixtrans-62.3-45.5178.2-66.9165.8000110.6L15 L16 R21 Q22 S23 P37L15-I19 HydrophobicContact CG-CD1 4.08Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.34Å; L16-I19 PolarHBondContact O-N 3.05Å; I19-R21 PolarHBondContact O-N 3.12Å; I19-Q22 PolarHBondContact O-N 2.93Å; I19-S23 PolarHBondContact O-N 3.49Å; I19-S23 PolarHBondContact O-OG 3.43Å; I19-P37 HydrophobicContact CG1-CG 4.49Å
20W78.5Confident80.2Confident179 Ų17989.1 Ų89.168%0.67848%0.481SS*.Hα-helixtrans-60.9-47.6178.7-177.762.9000111.6L16 Q22 S23 S24L16-W20 WeakPolarHBondContact O-CB 3.47Å; L16-W20 PolarHBondContact O-N 3.36Å; W20-Q22 VanDerWaalsContact C-N 3.26Å; W20-Q22 PolarHBondContact O-N 3.03Å; W20-S23 PolarHBondContact O-N 3.33Å; W20-S23 PolarHBondContact O-OG 3.13Å; W20-S24 PolarHBondContact O-N 3.16Å; W20-S24 PolarHBondContact O-OG 2.84Å
21R73.8Confident80.3Confident193 Ų19389.7 Ų89.773%0.72848%0.484SS*.Hα-helixtrans-63.4-31.8176.9-171175174.2-173.7-2.4112.8L17 S18 I19 S24L17-R21 VanDerWaalsContact O-CB 3.24Å; L17-R21 WeakPolarHBondContact O-CB 3.16Å; L17-R21 PolarHBondContact O-N 3.44Å; S18-R21 PolarHBondContact O-N 3.3Å; I19-R21 PolarHBondContact O-N 3.12Å; R21-S24 PolarHBondContact O-OG 3.19Å
22Q69.9Low80.5Confident34 Ų3486 Ų8616%0.15947%0.471CS..Hα-helixtrans-74.1-37.2176.2-167.216547.100111.9S18 I19 W20 P35S18-Q22 VanDerWaalsContact O-CB 3.29Å; S18-Q22 WeakPolarHBondContact O-CB 3.38Å; S18-Q22 PolarHBondContact O-N 2.95Å; I19-Q22 PolarHBondContact O-N 2.93Å; W20-Q22 VanDerWaalsContact C-N 3.26Å; W20-Q22 PolarHBondContact O-N 3.03Å; Q22-P35 VanDerWaalsContact CD-CG 3.43Å; Q22-P35 HydrophobicContact CG-CG 3.91Å; Q22-P35 PolarHBondContact OE1-O 3.4Å
23S68.6Low80.6Confident60 Ų6084.2 Ų84.242%0.4246%0.458SS..Hα-helixtrans-69.5-40176.368.70000113.5I19 W20 G25 R26I19-S23 PolarHBondContact O-N 3.49Å; I19-S23 PolarHBondContact O-OG 3.43Å; W20-S23 PolarHBondContact O-N 3.33Å; W20-S23 PolarHBondContact O-OG 3.13Å; S23-G25 PolarHBondContact O-N 3.37Å; S23-R26 PolarHBondContact O-N 3.18Å
24S65.9Low80.7Confident85 Ų8585.1 Ų85.159%0.59446%0.461SS*.Hα-helixtrans-67.5-23.4-176.260.20000113.5W20 R21W20-S24 PolarHBondContact O-N 3.16Å; W20-S24 PolarHBondContact O-OG 2.84Å; R21-S24 PolarHBondContact O-OG 3.19Å
25G63.9Low80.9Confident25 Ų2580 Ų8026%0.25844%0.435SS..THydrogen-bonded Turntrans-88.2-6.4177.500000115.7S23S23-G25 PolarHBondContact O-N 3.37Å
26R64.6Low81Confident95 Ų9579 Ų7936%0.35843%0.43SS..G310 helixtrans-78-26.3-171.7-84.1176.5167.9175-8.8115.1S23 K28 L29 T34S23-R26 PolarHBondContact O-N 3.18Å; R26-K28 PolarHBondContact O-N 3.08Å; R26-L29 PolarHBondContact O-N 2.91Å; R26-T34 VanDerWaalsContact NH2-CA 3.26Å; R26-T34 VanDerWaalsContact NH2-CG2 3.33Å; R26-T34 PolarHBondContact NH2-OG1 3.24Å
27G64.8Low81.1Confident81 Ų8175.7 Ų75.784%0.83542%0.415SS*.G310 helixtrans-66.3-4-168.700000116.7
28K80.6Confident81.2Confident205 Ų20575.6 Ų75.689%0.89142%0.418SS*.G310 helixtrans-124.2-1-176.9-62-174.1179.6-176.10114.4R26R26-K28 PolarHBondContact O-N 3.08Å
29L90.6Very high81.7Confident59 Ų5977 Ų7731%0.30942%0.423SS..SBendtrans-106.5155-175.2-66.8173.9000110.9R26 T66R26-L29 PolarHBondContact O-N 2.91Å; L29-T66 HydrophobicContact CD1-CG2 4.25Å
30P94.9Very high82.3Confident40 Ų4073.1 Ų73.126%0.2640%0.403SS..  trans-52.9153.4169.5-25.935.1000112.1V64 T66 V75P30-V64 HydrophobicContact CB-CG1 3.91Å; P30-V64 HydrophobicContact CG-CG1 3.68Å; P30-T66 WeakPolarHBondContact CD-OG1 3.14Å; P30-T66 WeakPolarHBondContact O-CB 3.46Å; P30-T66 PolarHBondContact O-OG1 3.5Å; P30-V75 HydrophobicContact CG-CG1 4.14Å; P30-V75 HydrophobicContact CG-CG2 4.38Å
31P94.4Very high83.1Confident77 Ų7764.6 Ų64.650%0.537%0.37SS..  trans-60.6163.6179.729.7-37.1000111.2Y61 F65 T66P31-Y61 HydrophobicContact CB-CD1 4.37Å; P31-Y61 WeakPolarHBondContact CG-O 3.35Å; P31-F65 CarbonylContact O-C 3.57Å; P31-F65 WeakPolarHBondContact O-CA 3.43Å; P31-F65 WeakPolarHBondContact O-CB 3.47Å; P31-T66 PolarHBondContact O-N 3.29Å
32G94.7Very high84Confident26 Ų2657.4 Ų57.427%0.26835%0.346SS..  trans179.1168.8177.900000112.8T66G32-T66 WeakPolarHBondContact CA-O 3.45Å
33P94.1Very high85.2Confident9 Ų962.1 Ų62.16%0.05837%0.372CS..  trans-60.8143.3178.525.9-33.2000110.7P35 N41 L57 Y61 L67P33-P35 WeakPolarHBondContact O-CD 3.41Å; P33-N41 PolarHBondContact O-ND2 2.92Å; P33-L57 HydrophobicContact CB-CD2 4.47Å; P33-L57 HydrophobicContact CG-CD2 4.09Å; P33-Y61 VanDerWaalsContact CA-OH 3.3Å; P33-Y61 WeakPolarHBondContact CA-OH 3.46Å; P33-Y61 HydrophobicContact CB-CE2 4.09Å; P33-Y61 HydrophobicContact CG-CE2 4.3Å; P33-L67 HydrophobicContact CG-CD2 3.52Å
34T91.4Very high86.4Confident88 Ų8863.2 Ų63.254%0.5437%0.37SS..  trans-63.8111.4179-71.70000110R26 Q44R26-T34 VanDerWaalsContact NH2-CA 3.26Å; R26-T34 VanDerWaalsContact NH2-CG2 3.33Å; R26-T34 PolarHBondContact NH2-OG1 3.24Å; T34-Q44 PolarHBondContact O-NE2 3.5Å
35P91.8Very high87.7Confident5 Ų560.1 Ų60.13%0.03235%0.347CS..PPolyproline II helixtrans-61.1147.5173.425-42.5000113.3Q22 P33 N41 Y68Q22-P35 VanDerWaalsContact CD-CG 3.43Å; Q22-P35 HydrophobicContact CG-CG 3.91Å; Q22-P35 PolarHBondContact OE1-O 3.4Å; P33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-N41 WeakPolarHBondContact CA-ND2 3.33Å; P35-Y68 HydrophobicContact CB-CD2 3.78Å; P35-Y68 HydrophobicContact CB-CG 3.82Å; P35-Y68 HydrophobicContact CG-CD1 4.39Å; P35-Y68 HydrophobicContact CG-CD2 3.52Å; P35-Y68 HydrophobicContact CG-CE2 3.76Å; P35-Y68 HydrophobicContact CG-CG 3.88Å
36L90.1Very high89.2Confident67 Ų6763 Ų6335%0.35136%0.356SS..BIsolated β-bridgetrans-79153168.5-61.6173.7000110.3V38 I39 G40 L43L36-V38 PolarHBondContact O-N 3.2Å; L36-I39 HydrophobicContact CB-CD1 4Å; L36-I39 HydrophobicContact CB-CG1 3.77Å; L36-I39 HydrophobicContact CD1-CD1 3.72Å; L36-I39 HydrophobicContact CD1-CG1 4.41Å; L36-G40 WeakPolarHBondContact CB-O 3.35Å; L36-G40 PolarHBondContact N-O 3.24Å; L36-G40 WeakPolarHBondContact O-CA 3.27Å; L36-G40 PolarHBondContact O-N 3.09Å; L36-L43 HydrophobicContact CD1-CB 4.36Å; L36-L43 HydrophobicContact CD1-CD1 4.1Å
37P86.8Confident90.4Very high44 Ų4464.1 Ų64.129%0.28637%0.368SS..THydrogen-bonded Turntrans-54.9136.9174.8-2635.3000111.7L15 I19 I39L15-P37 HydrophobicContact CD1-CB 3.93Å; L15-P37 HydrophobicContact CD1-CG 3.58Å; I19-P37 HydrophobicContact CG1-CG 4.49Å; P37-I39 PolarHBondContact O-N 2.9Å
38V86Confident91.8Very high99 Ų9969.7 Ų69.760%0.637%0.369SS*.THydrogen-bonded Turntrans67.2-50.5178.9-174.10000115.4L36 G70L36-V38 PolarHBondContact O-N 3.2Å; V38-G70 CarbonylContact O-C 3.12Å; V38-G70 WeakPolarHBondContact O-CA 3.46Å
39I90.4Very high92.5Very high64 Ų6463.1 Ų63.133%0.32834%0.344SS..THydrogen-bonded Turntrans-90.2-14.5-172.256165.8000114L36 P37 I42 L43 G70L36-I39 HydrophobicContact CB-CD1 4Å; L36-I39 HydrophobicContact CB-CG1 3.77Å; L36-I39 HydrophobicContact CD1-CD1 3.72Å; L36-I39 HydrophobicContact CD1-CG1 4.41Å; P37-I39 PolarHBondContact O-N 2.9Å; I39-I42 VanDerWaalsContact O-CD1 3.3Å; I39-I42 WeakPolarHBondContact O-CD1 3.22Å; I39-I42 VanDerWaalsContact O-CG1 3.23Å; I39-I42 WeakPolarHBondContact O-CG1 3.39Å; I39-L43 HydrophobicContact CD1-CD1 3.37Å; I39-L43 HydrophobicContact CD1-CG 3.74Å; I39-G70 WeakPolarHBondContact O-CA 3.13Å; I39-G70 PolarHBondContact O-N 3.33Å
40G92.9Very high92.7Very high0 Ų063.3 Ų63.30%035%0.347CS..BIsolated β-bridgetrans70.6-135179.100000112.8L36 Y68 G70L36-G40 WeakPolarHBondContact CB-O 3.35Å; L36-G40 PolarHBondContact N-O 3.24Å; L36-G40 WeakPolarHBondContact O-CA 3.27Å; L36-G40 PolarHBondContact O-N 3.09Å; G40-Y68 CarbonylContact C-O 3.41Å; G40-G70 PolarHBondContact N-O 3.01Å
41N94.8Very high92.7Very high0 Ų065.6 Ų65.60%036%0.364CS..THydrogen-bonded Turntrans-97.311.2-179.1-52.2107.1000112.9P33 P35 L43 Q44 I45 L67 Y68P33-N41 PolarHBondContact O-ND2 2.92Å; P35-N41 WeakPolarHBondContact CA-ND2 3.33Å; N41-L43 VanDerWaalsContact C-N 3.28Å; N41-L43 PolarHBondContact O-N 3.25Å; N41-Q44 HydrophobicContact CB-CB 4.42Å; N41-Q44 PolarHBondContact ND2-OE1 3.48Å; N41-Q44 WeakPolarHBondContact O-CA 3.14Å; N41-Q44 WeakPolarHBondContact O-CB 3.12Å; N41-Q44 PolarHBondContact O-N 3.45Å; N41-I45 HydrophobicContact CB-CD1 4.37Å; N41-I45 WeakPolarHBondContact O-CG1 3.46Å; N41-I45 PolarHBondContact O-N 3.42Å; N41-L67 HydrophobicContact CB-CD2 4.13Å; N41-L67 WeakPolarHBondContact OD1-CA 3.37Å; N41-Y68 PolarHBondContact N-O 3.49Å; N41-Y68 WeakPolarHBondContact OD1-CB 3.2Å; N41-Y68 WeakPolarHBondContact OD1-CD2 3.46Å; N41-Y68 PolarHBondContact OD1-N 3.44Å
42I93.3Very high92.9Very high43 Ų4368 Ų6822%0.22137%0.367CS..G310 helixtrans-54.3-43.9-176.6-67172.7000111.8I39 Q44 I45 I47 F69I39-I42 VanDerWaalsContact O-CD1 3.3Å; I39-I42 WeakPolarHBondContact O-CD1 3.22Å; I39-I42 VanDerWaalsContact O-CG1 3.23Å; I39-I42 WeakPolarHBondContact O-CG1 3.39Å; I42-Q44 PolarHBondContact O-N 2.96Å; I42-I45 PolarHBondContact O-N 2.93Å; I42-I47 HydrophobicContact CG2-CD1 4.35Å; I42-F69 HydrophobicContact CD1-CD1 4.06Å; I42-F69 HydrophobicContact CD1-CD2 4.31Å; I42-F69 HydrophobicContact CD1-CE1 4.06Å; I42-F69 HydrophobicContact CD1-CE2 4.31Å; I42-F69 HydrophobicContact CD1-CG 4.18Å; I42-F69 HydrophobicContact CD1-CZ 4.18Å; I42-F69 HydrophobicContact CG1-CD1 4.3Å; I42-F69 HydrophobicContact CG1-CD2 3.64Å; I42-F69 HydrophobicContact CG1-CE1 4.34Å; I42-F69 HydrophobicContact CG1-CE2 3.7Å; I42-F69 HydrophobicContact CG1-CG 3.96Å; I42-F69 HydrophobicContact CG1-CZ 4.05Å
43L94Very high93Very high133 Ų13367.6 Ų67.670%0.69636%0.36SS*.G310 helixtrans-76.8-9.4179.7-61.2-179.1000113.9L36 I39 N41L36-L43 HydrophobicContact CD1-CB 4.36Å; L36-L43 HydrophobicContact CD1-CD1 4.1Å; I39-L43 HydrophobicContact CD1-CD1 3.37Å; I39-L43 HydrophobicContact CD1-CG 3.74Å; N41-L43 VanDerWaalsContact C-N 3.28Å; N41-L43 PolarHBondContact O-N 3.25Å
44Q93.5Very high93.2Very high83 Ų8369 Ų6939%0.38837%0.366SS..G310 helixtrans-96.7-1.4179.4-62.7170.6-15.500111.9T34 N41 I42T34-Q44 PolarHBondContact O-NE2 3.5Å; N41-Q44 HydrophobicContact CB-CB 4.42Å; N41-Q44 PolarHBondContact ND2-OE1 3.48Å; N41-Q44 WeakPolarHBondContact O-CA 3.14Å; N41-Q44 WeakPolarHBondContact O-CB 3.12Å; N41-Q44 PolarHBondContact O-N 3.45Å; I42-Q44 PolarHBondContact O-N 2.96Å
45I95.1Very high93.5Very high20 Ų2066.8 Ų66.810%0.10335%0.353CS..SBendtrans-117.9129.4-178.9-61.8167.8000108N41 I42 I47 V50 L67N41-I45 HydrophobicContact CB-CD1 4.37Å; N41-I45 WeakPolarHBondContact O-CG1 3.46Å; N41-I45 PolarHBondContact O-N 3.42Å; I42-I45 PolarHBondContact O-N 2.93Å; I45-I47 PolarHBondContact O-N 3.19Å; I45-V50 HydrophobicContact CG2-CG1 4.31Å; I45-V50 HydrophobicContact CG2-CG2 4.27Å; I45-L67 HydrophobicContact CD1-CD1 3.77Å; I45-L67 HydrophobicContact CD1-CD2 4.45Å
46D94Very high93.8Very high84 Ų8470 Ų7045%0.44937%0.37SS..  trans-74109.5169.8-175.92.5000109.2K48 D49 V50 S53D46-K48 PolarHBondContact O-N 2.98Å; D46-K48 WeakPolarHBondContact OD1-CB 3.39Å; D46-K48 PolarHBondContact OD1-N 3.09Å; D46-D49 CarbonylContact O-C 3.6Å; D46-D49 PolarHBondContact O-N 3.07Å; D46-V50 PolarHBondContact O-N 2.95Å; D46-V50 VanDerWaalsContact O-N 3.13Å; D46-S53 WeakPolarHBondContact CB-OG 3.44Å; D46-S53 PolarHBondContact N-OG 3.31Å; D46-S53 VanDerWaalsContact N-OG 3.07Å
47I90Very high94.1Very high119 Ų11967.9 Ų67.961%0.6136%0.359SS*.G310 helixtrans-68-22-178.5-56.1172.6000111.1I42 I45 D49I42-I47 HydrophobicContact CG2-CD1 4.35Å; I45-I47 PolarHBondContact O-N 3.19Å; I47-D49 VanDerWaalsContact C-N 3.31Å
48K93.9Very high94.6Very high199 Ų19966.4 Ų66.487%0.86535%0.35SS*.G310 helixtrans-71.7-29.2175.7-61.9-179.6179178.80112D46D46-K48 PolarHBondContact O-N 2.98Å; D46-K48 WeakPolarHBondContact OD1-CB 3.39Å; D46-K48 PolarHBondContact OD1-N 3.09Å
49D95.4Very high95.2Very high67 Ų6769.3 Ų69.336%0.35835%0.354SS..G310 helixtrans-143.375.1177.2-167.5-11.6000111D46 I47 S51 K52 S53D46-D49 CarbonylContact O-C 3.6Å; D46-D49 PolarHBondContact O-N 3.07Å; I47-D49 VanDerWaalsContact C-N 3.31Å; D49-S51 VanDerWaalsContact C-N 3.29Å; D49-S51 PolarHBondContact O-N 3.44Å; D49-K52 HydrophobicContact CB-CB 4.23Å; D49-K52 VanDerWaalsContact OD1-CB 3.27Å; D49-K52 WeakPolarHBondContact OD1-CB 3.22Å; D49-K52 PolarHBondContact OD1-N 3.13Å; D49-K52 WeakPolarHBondContact OD2-CB 3.23Å; D49-K52 WeakPolarHBondContact OD2-CD 3.43Å; D49-S53 PolarHBondContact O-N 3.49Å; D49-S53 VanDerWaalsContact O-N 3.09Å; D49-S53 PolarHBondContact O-OG 3.42Å
50V95.1Very high95.6Very high63 Ų6372 Ų7238%0.38237%0.368SS..Hα-helixtrans-62.1-39.9178.8177.70000110.3I45 D46 K52 S53 L54I45-V50 HydrophobicContact CG2-CG1 4.31Å; I45-V50 HydrophobicContact CG2-CG2 4.27Å; D46-V50 PolarHBondContact O-N 2.95Å; D46-V50 VanDerWaalsContact O-N 3.13Å; V50-K52 PolarHBondContact O-N 2.95Å; V50-S53 WeakPolarHBondContact O-CB 3.31Å; V50-S53 PolarHBondContact O-N 2.86Å; V50-L54 HydrophobicContact CG1-CD1 3.99Å; V50-L54 HydrophobicContact CG1-CG 4.04Å; V50-L54 VanDerWaalsContact O-CG 3.28Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 2.95Å
51S96.1Very high95.8Very high87 Ų8775.5 Ų75.561%0.60838%0.382SS*.Hα-helixtrans-60.1-47-178.1-175.30000112.2D49 L54 T55D49-S51 VanDerWaalsContact C-N 3.29Å; D49-S51 PolarHBondContact O-N 3.44Å; S51-L54 PolarHBondContact O-N 3.43Å; S51-T55 WeakPolarHBondContact O-CB 3.29Å; S51-T55 PolarHBondContact O-N 2.78Å; S51-T55 PolarHBondContact O-OG1 2.84Å
52K97.3Very high95.9Very high128 Ų12876.6 Ų76.656%0.55739%0.394SS*.Hα-helixtrans-65.4-40.9175.5-175.2179-179-1790111.8D49 V50 L54 T55 N56D49-K52 HydrophobicContact CB-CB 4.23Å; D49-K52 VanDerWaalsContact OD1-CB 3.27Å; D49-K52 WeakPolarHBondContact OD1-CB 3.22Å; D49-K52 PolarHBondContact OD1-N 3.13Å; D49-K52 WeakPolarHBondContact OD2-CB 3.23Å; D49-K52 WeakPolarHBondContact OD2-CD 3.43Å; V50-K52 PolarHBondContact O-N 2.95Å; K52-L54 PolarHBondContact O-N 3.17Å; K52-T55 PolarHBondContact O-N 3.43Å; K52-N56 PolarHBondContact O-N 2.92Å; K52-N56 PolarHBondContact O-ND2 3.31Å
53S97Very high96.1Very high18 Ų1878 Ų7813%0.12641%0.405CS..Hα-helixtrans-58.5-47.9175.7-62.60000111.7D46 D49 V50 T55 N56 L57D46-S53 WeakPolarHBondContact CB-OG 3.44Å; D46-S53 PolarHBondContact N-OG 3.31Å; D46-S53 VanDerWaalsContact N-OG 3.07Å; D49-S53 PolarHBondContact O-N 3.49Å; D49-S53 VanDerWaalsContact O-N 3.09Å; D49-S53 PolarHBondContact O-OG 3.42Å; V50-S53 WeakPolarHBondContact O-CB 3.31Å; V50-S53 PolarHBondContact O-N 2.86Å; S53-T55 VanDerWaalsContact C-N 3.33Å; S53-T55 PolarHBondContact O-N 3.22Å; S53-N56 PolarHBondContact O-N 3.27Å; S53-L57 WeakPolarHBondContact O-CG 3.35Å; S53-L57 PolarHBondContact O-N 2.92Å
54L97.5Very high96.3Very high37 Ų3774 Ų7419%0.19439%0.386CS..Hα-helixtrans-63.6-37.9176.6-64.9-175.1000112.2V50 S51 K52 L57 S58 F65 L67 V76V50-L54 HydrophobicContact CG1-CD1 3.99Å; V50-L54 HydrophobicContact CG1-CG 4.04Å; V50-L54 VanDerWaalsContact O-CG 3.28Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 2.95Å; S51-L54 PolarHBondContact O-N 3.43Å; K52-L54 PolarHBondContact O-N 3.17Å; L54-L57 HydrophobicContact CD2-CD1 4.45Å; L54-L57 PolarHBondContact O-N 2.87Å; L54-S58 PolarHBondContact O-N 3.39Å; L54-F65 HydrophobicContact CB-CZ 4.34Å; L54-F65 HydrophobicContact CD2-CE2 4.19Å; L54-F65 HydrophobicContact CD2-CZ 4.16Å; L54-F65 WeakPolarHBondContact O-CZ 3.47Å; L54-L67 HydrophobicContact CD2-CD1 3.32Å; L54-V76 HydrophobicContact CD1-CG1 4.24Å; L54-V76 HydrophobicContact CD2-CG2 4.09Å
55T98.1Very high96.5Very high43 Ų4370 Ų7026%0.26437%0.367SS..Hα-helixtrans-66.8-35.1175.7-61.20000112.4S51 K52 S53 S58 K59 H78S51-T55 WeakPolarHBondContact O-CB 3.29Å; S51-T55 PolarHBondContact O-N 2.78Å; S51-T55 PolarHBondContact O-OG1 2.84Å; K52-T55 PolarHBondContact O-N 3.43Å; S53-T55 VanDerWaalsContact C-N 3.33Å; S53-T55 PolarHBondContact O-N 3.22Å; T55-S58 PolarHBondContact O-OG 3Å; T55-K59 WeakPolarHBondContact O-CG 3.45Å; T55-K59 PolarHBondContact O-N 3.3Å; T55-H78 PolarHBondContact OG1-NE2 2.85Å; T55-H78 VanDerWaalsContact OG1-NE2 3.08Å
56N97.7Very high96.6Very high73 Ų7369.2 Ų69.239%0.3936%0.364SS..Hα-helixtrans-71-38174.6-72.1-23.5000111.5K52 S53 K59K52-N56 PolarHBondContact O-N 2.92Å; K52-N56 PolarHBondContact O-ND2 3.31Å; S53-N56 PolarHBondContact O-N 3.27Å; N56-K59 PolarHBondContact O-N 3.37Å
57L97.6Very high96.6Very high21 Ų2165.6 Ų65.611%0.1134%0.344CS..Hα-helixtrans-65.8-37.7174.8-69.7167.9000111.8P33 S53 L54 K59 I60 Y61 F65 L67P33-L57 HydrophobicContact CB-CD2 4.47Å; P33-L57 HydrophobicContact CG-CD2 4.09Å; S53-L57 WeakPolarHBondContact O-CG 3.35Å; S53-L57 PolarHBondContact O-N 2.92Å; L54-L57 HydrophobicContact CD2-CD1 4.45Å; L54-L57 PolarHBondContact O-N 2.87Å; L57-K59 PolarHBondContact O-N 3.44Å; L57-I60 PolarHBondContact O-N 2.96Å; L57-Y61 HydrophobicContact CB-CD2 4.3Å; L57-Y61 HydrophobicContact CD2-CD2 4.03Å; L57-Y61 HydrophobicContact CD2-CE2 3.66Å; L57-Y61 WeakPolarHBondContact O-CD2 3.4Å; L57-Y61 PolarHBondContact O-N 2.81Å; L57-F65 HydrophobicContact CB-CD2 4.37Å; L57-F65 HydrophobicContact CB-CE2 3.72Å; L57-F65 HydrophobicContact CB-CZ 3.83Å; L57-F65 HydrophobicContact CD1-CE2 4.11Å; L57-L67 HydrophobicContact CD1-CD1 4.47Å; L57-L67 HydrophobicContact CD1-CD2 4Å
58S98Very high96.8Very high14 Ų1460.8 Ų60.810%0.09832%0.319CS..Hα-helixtrans-64.6-28.9177.873.20000113.2L54 T55 I60 G62 H78L54-S58 PolarHBondContact O-N 3.39Å; T55-S58 PolarHBondContact O-OG 3Å; S58-I60 PolarHBondContact O-N 2.91Å; S58-G62 VanDerWaalsContact CA-O 3.29Å; S58-G62 WeakPolarHBondContact CA-O 3.46Å; S58-G62 CarbonylContact O-C 3.08Å; S58-G62 VanDerWaalsContact O-C 3.32Å; S58-G62 WeakPolarHBondContact O-CA 3.36Å; S58-G62 PolarHBondContact O-N 3.22Å; S58-H78 PolarHBondContact OG-CE1 3.38Å; S58-H78 PolarHBondContact OG-ND1 3.45Å
59K98.2Very high96.6Very high159 Ų15956.4 Ų56.469%0.69130%0.3SS*.Hα-helixtrans-67.1-24.7172.3-65.9171.5-174.6173.40113.4T55 N56 L57T55-K59 WeakPolarHBondContact O-CG 3.45Å; T55-K59 PolarHBondContact O-N 3.3Å; N56-K59 PolarHBondContact O-N 3.37Å; L57-K59 PolarHBondContact O-N 3.44Å
60I97.8Very high96.2Very high121 Ų12154.1 Ų54.162%0.62129%0.292SS*.Hα-helixtrans-96.3-47-177.1-59.7169.6000110.7L57 S58L57-I60 PolarHBondContact O-N 2.96Å; S58-I60 PolarHBondContact O-N 2.91Å
61Y97.1Very high95.7Very high73 Ų7357.5 Ų57.529%0.28631%0.307SS..Hα-helixtrans-101.3-5.4-171.9-60.7-75.5000113.6P31 P33 L57P31-Y61 HydrophobicContact CB-CD1 4.37Å; P31-Y61 WeakPolarHBondContact CG-O 3.35Å; P33-Y61 VanDerWaalsContact CA-OH 3.3Å; P33-Y61 WeakPolarHBondContact CA-OH 3.46Å; P33-Y61 HydrophobicContact CB-CE2 4.09Å; P33-Y61 HydrophobicContact CG-CE2 4.3Å; L57-Y61 HydrophobicContact CB-CD2 4.3Å; L57-Y61 HydrophobicContact CD2-CD2 4.03Å; L57-Y61 HydrophobicContact CD2-CE2 3.66Å; L57-Y61 WeakPolarHBondContact O-CD2 3.4Å; L57-Y61 PolarHBondContact O-N 2.81Å
62G97.9Very high95.4Very high24 Ų2459.3 Ų59.325%0.24731%0.306CS..  trans90.1-176-17700000113.5S58 V64 F65S58-G62 VanDerWaalsContact CA-O 3.29Å; S58-G62 WeakPolarHBondContact CA-O 3.46Å; S58-G62 CarbonylContact O-C 3.08Å; S58-G62 VanDerWaalsContact O-C 3.32Å; S58-G62 WeakPolarHBondContact O-CA 3.36Å; S58-G62 PolarHBondContact O-N 3.22Å; G62-V64 VanDerWaalsContact C-N 3.26Å; G62-V64 PolarHBondContact O-N 3.14Å; G62-F65 WeakPolarHBondContact O-CD1 3.28Å
63P97.9Very high95.1Very high71 Ų7160.3 Ų60.346%0.46131%0.306SS..SBendtrans-72.7-14.9-172.130.1-36.7000114H78 V82P63-H78 WeakPolarHBondContact CA-O 3.24Å; P63-H78 WeakPolarHBondContact CB-O 3.38Å; P63-H78 PolarHBondContact O-N 3.19Å; P63-V82 HydrophobicContact CB-CG1 3.89Å; P63-V82 HydrophobicContact CB-CG2 4.1Å; P63-V82 HydrophobicContact CG-CG1 4.09Å
64V98.2Very high94.9Very high49 Ų4962.9 Ų62.930%0.29732%0.317SS..EExtended strand (participates in β ladder)trans-128.7115.8177.1-175.10000108.9P30 G62 V75 V76 L77 V82P30-V64 HydrophobicContact CB-CG1 3.91Å; P30-V64 HydrophobicContact CG-CG1 3.68Å; G62-V64 VanDerWaalsContact C-N 3.26Å; G62-V64 PolarHBondContact O-N 3.14Å; V64-V75 HydrophobicContact CG1-CG1 3.79Å; V64-V76 WeakPolarHBondContact CA-O 3.15Å; V64-L77 HydrophobicContact CB-CD2 4.49Å; V64-L77 HydrophobicContact CG1-CD2 3.97Å; V64-L77 HydrophobicContact CG2-CD2 3.95Å; V64-V82 HydrophobicContact CG2-CB 4.1Å; V64-V82 HydrophobicContact CG2-CG1 3.88Å
65F97.3Very high94.9Very high0 Ų064.6 Ų64.60%033%0.329CS..EExtended strand (participates in β ladder)trans-146.8158.6-176.563.4-85.8000112.9P31 L54 L57 G62 L67 V75 V76 H78P31-F65 CarbonylContact O-C 3.57Å; P31-F65 WeakPolarHBondContact O-CA 3.43Å; P31-F65 WeakPolarHBondContact O-CB 3.47Å; L54-F65 HydrophobicContact CB-CZ 4.34Å; L54-F65 HydrophobicContact CD2-CE2 4.19Å; L54-F65 HydrophobicContact CD2-CZ 4.16Å; L54-F65 WeakPolarHBondContact O-CZ 3.47Å; L57-F65 HydrophobicContact CB-CD2 4.37Å; L57-F65 HydrophobicContact CB-CE2 3.72Å; L57-F65 HydrophobicContact CB-CZ 3.83Å; L57-F65 HydrophobicContact CD1-CE2 4.11Å; G62-F65 WeakPolarHBondContact O-CD1 3.28Å; F65-L67 HydrophobicContact CD2-CD2 4.31Å; F65-L67 HydrophobicContact CD2-CG 4.14Å; F65-L67 HydrophobicContact CE2-CD1 3.97Å; F65-L67 HydrophobicContact CE2-CD2 4.21Å; F65-L67 HydrophobicContact CE2-CG 3.95Å; F65-V75 CarbonylContact O-C 3.25Å; F65-V75 WeakPolarHBondContact O-CA 3.38Å; F65-V76 HydrophobicContact CD1-CB 4.12Å; F65-V76 HydrophobicContact CD1-CG1 4.41Å; F65-V76 HydrophobicContact CD2-CB 4.12Å; F65-V76 HydrophobicContact CD2-CG2 4.26Å; F65-V76 HydrophobicContact CE1-CB 3.73Å; F65-V76 HydrophobicContact CE1-CG1 3.59Å; F65-V76 HydrophobicContact CE2-CB 3.75Å; F65-V76 HydrophobicContact CE2-CG1 4.14Å; F65-V76 HydrophobicContact CE2-CG2 3.74Å; F65-V76 HydrophobicContact CG-CB 4.31Å; F65-V76 HydrophobicContact CZ-CB 3.55Å; F65-V76 HydrophobicContact CZ-CG1 3.45Å; F65-V76 VanDerWaalsContact CZ-CG1 3.45Å; F65-V76 HydrophobicContact CZ-CG2 3.94Å; F65-V76 PolarHBondContact N-O 3.45Å; F65-V76 PolarHBondContact O-N 2.89Å; F65-H78 HydrophobicContact CE1-CB 4.42Å
66T96.2Very high94.8Very high4 Ų463.7 Ų63.73%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-103.3135-176.6-53.70000111.5L29 P30 P31 G32 Y68 M74L29-T66 HydrophobicContact CD1-CG2 4.25Å; P30-T66 WeakPolarHBondContact CD-OG1 3.14Å; P30-T66 WeakPolarHBondContact O-CB 3.46Å; P30-T66 PolarHBondContact O-OG1 3.5Å; P31-T66 PolarHBondContact O-N 3.29Å; G32-T66 WeakPolarHBondContact CA-O 3.45Å; T66-Y68 HydrophobicContact CG2-CD2 4.35Å; T66-Y68 HydrophobicContact CG2-CE2 3.79Å; T66-M74 CarbonylContact C-O 3.59Å; T66-M74 WeakPolarHBondContact CA-O 3.41Å
67L95.3Very high94.9Very high8 Ų862.7 Ų62.74%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-121.1158.2167.4-63.4177.4000110.7P33 N41 I45 L54 L57 F65 M74 V76P33-L67 HydrophobicContact CG-CD2 3.52Å; N41-L67 HydrophobicContact CB-CD2 4.13Å; N41-L67 WeakPolarHBondContact OD1-CA 3.37Å; I45-L67 HydrophobicContact CD1-CD1 3.77Å; I45-L67 HydrophobicContact CD1-CD2 4.45Å; L54-L67 HydrophobicContact CD2-CD1 3.32Å; L57-L67 HydrophobicContact CD1-CD1 4.47Å; L57-L67 HydrophobicContact CD1-CD2 4Å; F65-L67 HydrophobicContact CD2-CD2 4.31Å; F65-L67 HydrophobicContact CD2-CG 4.14Å; F65-L67 HydrophobicContact CE2-CD1 3.97Å; F65-L67 HydrophobicContact CE2-CD2 4.21Å; F65-L67 HydrophobicContact CE2-CG 3.95Å; L67-M74 PolarHBondContact N-O 3.35Å; L67-M74 PolarHBondContact O-N 2.84Å; L67-V76 HydrophobicContact CD1-CG2 3.75Å; L67-V76 HydrophobicContact CG-CG2 4.16Å
68Y92.6Very high94.9Very high18 Ų1864.7 Ų64.77%0.07133%0.326CS..EExtended strand (participates in β ladder)trans-122.1125.5177.2-65.2-104.7000107.8P35 G40 N41 T66 E72 R73P35-Y68 HydrophobicContact CB-CD2 3.78Å; P35-Y68 HydrophobicContact CB-CG 3.82Å; P35-Y68 HydrophobicContact CG-CD1 4.39Å; P35-Y68 HydrophobicContact CG-CD2 3.52Å; P35-Y68 HydrophobicContact CG-CE2 3.76Å; P35-Y68 HydrophobicContact CG-CG 3.88Å; G40-Y68 CarbonylContact C-O 3.41Å; N41-Y68 PolarHBondContact N-O 3.49Å; N41-Y68 WeakPolarHBondContact OD1-CB 3.2Å; N41-Y68 WeakPolarHBondContact OD1-CD2 3.46Å; N41-Y68 PolarHBondContact OD1-N 3.44Å; T66-Y68 HydrophobicContact CG2-CD2 4.35Å; T66-Y68 HydrophobicContact CG2-CE2 3.79Å; Y68-E72 CarbonylContact C-O 3.49Å; Y68-E72 VanDerWaalsContact CA-O 3.24Å; Y68-E72 WeakPolarHBondContact CA-O 3.36Å; Y68-R73 HydrophobicContact CD1-CG 3.9Å; Y68-R73 HydrophobicContact CE1-CG 3.66Å
69F90.1Very high94.9Very high107 Ų10765.9 Ų65.947%0.46934%0.341SS..EExtended strand (participates in β ladder)trans-114.896.8176-154.5-93.7000107.9I42 L71 E72 M74I42-F69 HydrophobicContact CD1-CD1 4.06Å; I42-F69 HydrophobicContact CD1-CD2 4.31Å; I42-F69 HydrophobicContact CD1-CE1 4.06Å; I42-F69 HydrophobicContact CD1-CE2 4.31Å; I42-F69 HydrophobicContact CD1-CG 4.18Å; I42-F69 HydrophobicContact CD1-CZ 4.18Å; I42-F69 HydrophobicContact CG1-CD1 4.3Å; I42-F69 HydrophobicContact CG1-CD2 3.64Å; I42-F69 HydrophobicContact CG1-CE1 4.34Å; I42-F69 HydrophobicContact CG1-CE2 3.7Å; I42-F69 HydrophobicContact CG1-CG 3.96Å; I42-F69 HydrophobicContact CG1-CZ 4.05Å; F69-L71 PolarHBondContact O-N 2.9Å; F69-E72 PolarHBondContact N-O 2.85Å; F69-E72 PolarHBondContact O-N 3.18Å; F69-M74 HydrophobicContact CB-CE 3.25Å; F69-M74 HydrophobicContact CD2-CE 3.99Å; F69-M74 HydrophobicContact CG-CE 3.73Å
70G88.2Confident94.9Very high18 Ų1866.2 Ų66.219%0.18634%0.339CS..THydrogen-bonded Turntrans64.6-120.8-158.800000110.3V38 I39 G40V38-G70 CarbonylContact O-C 3.12Å; V38-G70 WeakPolarHBondContact O-CA 3.46Å; I39-G70 WeakPolarHBondContact O-CA 3.13Å; I39-G70 PolarHBondContact O-N 3.33Å; G40-G70 PolarHBondContact N-O 3.01Å
71L84.6Confident94.9Very high134 Ų13466.6 Ų66.670%0.70234%0.338SS*.THydrogen-bonded Turntrans-96-10.3176.4-58180000113.3F69F69-L71 PolarHBondContact O-N 2.9Å
72E88.6Confident95Very high125 Ų12564.4 Ų64.458%0.58433%0.332SS*.EExtended strand (participates in β ladder)trans-77.6138.2-179.9-69.4-60.9156.300111Y68 F69Y68-E72 CarbonylContact C-O 3.49Å; Y68-E72 VanDerWaalsContact CA-O 3.24Å; Y68-E72 WeakPolarHBondContact CA-O 3.36Å; F69-E72 PolarHBondContact N-O 2.85Å; F69-E72 PolarHBondContact O-N 3.18Å
73R91.1Very high95Very high149 Ų14965.9 Ų65.956%0.56234%0.336SS*.EExtended strand (participates in β ladder)trans-100.9133.4-177.9-58.8174.9-168.9149.6-0.7109.5Y68Y68-R73 HydrophobicContact CD1-CG 3.9Å; Y68-R73 HydrophobicContact CE1-CG 3.66Å
74M93.3Very high95.1Very high72 Ų7265.5 Ų65.536%0.35533%0.328SS..EExtended strand (participates in β ladder)trans-128.4128.1177.2-72.3-165.3-91.300110.1T66 L67 F69T66-M74 CarbonylContact C-O 3.59Å; T66-M74 WeakPolarHBondContact CA-O 3.41Å; L67-M74 PolarHBondContact N-O 3.35Å; L67-M74 PolarHBondContact O-N 2.84Å; F69-M74 HydrophobicContact CB-CE 3.25Å; F69-M74 HydrophobicContact CD2-CE 3.99Å; F69-M74 HydrophobicContact CG-CE 3.73Å
75V96.3Very high95.1Very high74 Ų7468.5 Ų68.545%0.44834%0.338SS..EExtended strand (participates in β ladder)trans-94.2126.7168.9177.40000107.9P30 V64 F65 L77P30-V75 HydrophobicContact CG-CG1 4.14Å; P30-V75 HydrophobicContact CG-CG2 4.38Å; V64-V75 HydrophobicContact CG1-CG1 3.79Å; F65-V75 CarbonylContact O-C 3.25Å; F65-V75 WeakPolarHBondContact O-CA 3.38Å; V75-L77 HydrophobicContact CG1-CD2 4.23Å
76V97.6Very high95.1Very high23 Ų2368.7 Ų68.714%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-97.6131.9176.3-177.10000108.5L54 V64 F65 L67L54-V76 HydrophobicContact CD1-CG1 4.24Å; L54-V76 HydrophobicContact CD2-CG2 4.09Å; V64-V76 WeakPolarHBondContact CA-O 3.15Å; F65-V76 HydrophobicContact CD1-CB 4.12Å; F65-V76 HydrophobicContact CD1-CG1 4.41Å; F65-V76 HydrophobicContact CD2-CB 4.12Å; F65-V76 HydrophobicContact CD2-CG2 4.26Å; F65-V76 HydrophobicContact CE1-CB 3.73Å; F65-V76 HydrophobicContact CE1-CG1 3.59Å; F65-V76 HydrophobicContact CE2-CB 3.75Å; F65-V76 HydrophobicContact CE2-CG1 4.14Å; F65-V76 HydrophobicContact CE2-CG2 3.74Å; F65-V76 HydrophobicContact CG-CB 4.31Å; F65-V76 HydrophobicContact CZ-CB 3.55Å; F65-V76 HydrophobicContact CZ-CG1 3.45Å; F65-V76 VanDerWaalsContact CZ-CG1 3.45Å; F65-V76 HydrophobicContact CZ-CG2 3.94Å; F65-V76 PolarHBondContact N-O 3.45Å; F65-V76 PolarHBondContact O-N 2.89Å; L67-V76 HydrophobicContact CD1-CG2 3.75Å; L67-V76 HydrophobicContact CG-CG2 4.16Å
77L98.4Very high95.2Very high53 Ų5373.5 Ų73.528%0.27737%0.365SS..EExtended strand (participates in β ladder)trans-109.3120172.3-54.7178.2000107.9V64 V75 V82 V83 A86 F94V64-L77 HydrophobicContact CB-CD2 4.49Å; V64-L77 HydrophobicContact CG1-CD2 3.97Å; V64-L77 HydrophobicContact CG2-CD2 3.95Å; V75-L77 HydrophobicContact CG1-CD2 4.23Å; L77-V82 HydrophobicContact CB-CG2 4.28Å; L77-V83 HydrophobicContact CB-CG2 4.05Å; L77-A86 HydrophobicContact CD1-CB 3.28Å; L77-F94 HydrophobicContact CD1-CE1 4.32Å
78H98.4Very high95.3Very high62 Ų6278.8 Ų78.829%0.28739%0.392SS..  trans-129.1121.8-175.9-171.4-75.7000110.6T55 S58 P63 F65 V82T55-H78 PolarHBondContact OG1-NE2 2.85Å; T55-H78 VanDerWaalsContact OG1-NE2 3.08Å; S58-H78 PolarHBondContact OG-CE1 3.38Å; S58-H78 PolarHBondContact OG-ND1 3.45Å; P63-H78 WeakPolarHBondContact CA-O 3.24Å; P63-H78 WeakPolarHBondContact CB-O 3.38Å; P63-H78 PolarHBondContact O-N 3.19Å; F65-H78 HydrophobicContact CE1-CB 4.42Å; H78-V82 VanDerWaalsContact O-CG2 3.23Å; H78-V82 WeakPolarHBondContact O-CG2 3.37Å
79G98Very high95.6Very high40 Ų4082.4 Ų82.441%0.41241%0.413SS..SBendtrans108153.2-177.400000112.9E81 V82 V83G79-E81 PolarHBondContact O-N 3.46Å; G79-V82 WeakPolarHBondContact O-CG2 3.3Å; G79-V83 WeakPolarHBondContact O-CB 3.07Å; G79-V83 WeakPolarHBondContact O-CG2 3.4Å; G79-V83 PolarHBondContact O-N 3.14Å
80Y98.5Very high96Very high166 Ų16680.5 Ų80.565%0.65141%0.407SS*.Hα-helixtrans-59.2-50.7-172.7171-99.5000112.8V82 V83 K84Y80-V82 PolarHBondContact O-N 3.42Å; Y80-V83 PolarHBondContact O-N 3.3Å; Y80-K84 HydrophobicContact CE1-CD 4.13Å; Y80-K84 WeakPolarHBondContact O-CB 3.37Å; Y80-K84 PolarHBondContact O-N 3.17Å
81E98.4Very high96.4Very high129 Ų12980.9 Ų80.960%0.60341%0.411SS*.Hα-helixtrans-59.2-49.6-174-60.4-56.7153.100112.2G79 V83 K84 E85G79-E81 PolarHBondContact O-N 3.46Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 3.28Å; E81-K84 PolarHBondContact O-N 3.25Å; E81-E85 WeakPolarHBondContact O-CB 3.12Å; E81-E85 PolarHBondContact O-N 2.87Å
82V98.3Very high96.9Very high27 Ų2780.1 Ų80.116%0.16440%0.404CS..Hα-helixtrans-69.5-31.8-178.4-61.10000112.8P63 V64 L77 H78 G79 Y80 A86P63-V82 HydrophobicContact CB-CG1 3.89Å; P63-V82 HydrophobicContact CB-CG2 4.1Å; P63-V82 HydrophobicContact CG-CG1 4.09Å; V64-V82 HydrophobicContact CG2-CB 4.1Å; V64-V82 HydrophobicContact CG2-CG1 3.88Å; L77-V82 HydrophobicContact CB-CG2 4.28Å; H78-V82 VanDerWaalsContact O-CG2 3.23Å; H78-V82 WeakPolarHBondContact O-CG2 3.37Å; G79-V82 WeakPolarHBondContact O-CG2 3.3Å; Y80-V82 PolarHBondContact O-N 3.42Å; V82-A86 WeakPolarHBondContact O-CB 3.43Å; V82-A86 PolarHBondContact O-N 3.21Å; V82-A86 VanDerWaalsContact O-N 3.13Å
83V98.4Very high97.3Very high54 Ų5480.7 Ų80.733%0.32741%0.407SS..Hα-helixtrans-72.4-41.2175.7171.90000110.4L77 G79 Y80 E81 L87L77-V83 HydrophobicContact CB-CG2 4.05Å; G79-V83 WeakPolarHBondContact O-CB 3.07Å; G79-V83 WeakPolarHBondContact O-CG2 3.4Å; G79-V83 PolarHBondContact O-N 3.14Å; Y80-V83 PolarHBondContact O-N 3.3Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 3.28Å; V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.33Å; V83-L87 VanDerWaalsContact O-CB 3.31Å; V83-L87 WeakPolarHBondContact O-CB 3.49Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.13Å
84K98.6Very high97.5Very high64 Ų6478.3 Ų78.328%0.27840%0.401SS..Hα-helixtrans-61.5-51174.7-179.7-163.8167.4-76.20110.4Y80 E81 A86 I88 D89Y80-K84 HydrophobicContact CE1-CD 4.13Å; Y80-K84 WeakPolarHBondContact O-CB 3.37Å; Y80-K84 PolarHBondContact O-N 3.17Å; E81-K84 PolarHBondContact O-N 3.25Å; K84-A86 VanDerWaalsContact C-N 3.35Å; K84-A86 PolarHBondContact O-N 3.3Å; K84-I88 HydrophobicContact CG-CB 4.44Å; K84-I88 HydrophobicContact CG-CD1 4.1Å; K84-I88 WeakPolarHBondContact O-CA 3.38Å; K84-I88 VanDerWaalsContact O-CB 3.22Å; K84-I88 WeakPolarHBondContact O-CB 3.42Å; K84-I88 PolarHBondContact O-N 3.1Å; K84-D89 VanDerWaalsContact NZ-CG 3.3Å; K84-D89 IonicContact NZ-OD1 2.68Å; K84-D89 PolarHBondContact NZ-OD1 3.43Å; K84-D89 IonicContact NZ-OD2 3.83Å; K84-D89 PolarHBondContact NZ-OD2 3.46Å; K84-D89 PolarHBondContact O-N 3.45Å
85E98.6Very high97.7Very high111 Ų11176.2 Ų76.252%0.51939%0.393SS..Iπ-helixtrans-55.8-51.1-179.6-173.7-175.813900110.7E81 D89 L90E81-E85 WeakPolarHBondContact O-CB 3.12Å; E81-E85 PolarHBondContact O-N 2.87Å; E85-D89 CarbonylContact O-C 3.32Å; E85-D89 WeakPolarHBondContact O-CA 3.14Å; E85-D89 WeakPolarHBondContact O-CB 3.38Å; E85-D89 PolarHBondContact O-N 2.98Å; E85-D89 VanDerWaalsContact O-N 3.14Å; E85-L90 PolarHBondContact O-N 3.13Å
86A98.3Very high97.6Very high5 Ų574.8 Ų74.84%0.04139%0.393CS..Iπ-helixtrans-68.5-48.5-178.300000113.4L77 V82 K84 L90 F94L77-A86 HydrophobicContact CD1-CB 3.28Å; V82-A86 WeakPolarHBondContact O-CB 3.43Å; V82-A86 PolarHBondContact O-N 3.21Å; V82-A86 VanDerWaalsContact O-N 3.13Å; K84-A86 VanDerWaalsContact C-N 3.35Å; K84-A86 PolarHBondContact O-N 3.3Å; A86-L90 CarbonylContact O-C 3.55Å; A86-L90 VanDerWaalsContact O-C 3.25Å; A86-F94 HydrophobicContact CB-CD1 4.04Å; A86-F94 HydrophobicContact CB-CD2 3.94Å; A86-F94 HydrophobicContact CB-CE1 4Å; A86-F94 HydrophobicContact CB-CE2 3.9Å; A86-F94 HydrophobicContact CB-CG 4.01Å; A86-F94 HydrophobicContact CB-CZ 3.93Å; A86-F94 WeakPolarHBondContact O-CB 3.44Å; A86-F94 WeakPolarHBondContact O-CD2 3.23Å; A86-F94 WeakPolarHBondContact O-CG 3.48Å
87L98.1Very high97.3Very high105 Ų10577.8 Ų77.855%0.5540%0.402SS..Iπ-helixtrans-88.5-16.1-169.8-59.1-174000114.1V83 F94V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.33Å; V83-L87 VanDerWaalsContact O-CB 3.31Å; V83-L87 WeakPolarHBondContact O-CB 3.49Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.13Å; L87-F94 HydrophobicContact CD2-CB 4.02Å
88I97.9Very high96.8Very high118 Ų11877.9 Ų77.961%0.60542%0.415SS*.Iπ-helixtrans-114.6-60.8179.6-54-172.8000110.2K84 L90 G91K84-I88 HydrophobicContact CG-CB 4.44Å; K84-I88 HydrophobicContact CG-CD1 4.1Å; K84-I88 WeakPolarHBondContact O-CA 3.38Å; K84-I88 VanDerWaalsContact O-CB 3.22Å; K84-I88 WeakPolarHBondContact O-CB 3.42Å; K84-I88 PolarHBondContact O-N 3.1Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 3.4Å; I88-G91 PolarHBondContact O-N 3.49Å
89D98.4Very high96.2Very high94 Ų9480.8 Ų80.850%0.50343%0.429SS..Iπ-helixtrans-70.3-34.7-172-53.3-27.9000111K84 E85K84-D89 VanDerWaalsContact NZ-CG 3.3Å; K84-D89 IonicContact NZ-OD1 2.68Å; K84-D89 PolarHBondContact NZ-OD1 3.43Å; K84-D89 IonicContact NZ-OD2 3.83Å; K84-D89 PolarHBondContact NZ-OD2 3.46Å; K84-D89 PolarHBondContact O-N 3.45Å; E85-D89 CarbonylContact O-C 3.32Å; E85-D89 WeakPolarHBondContact O-CA 3.14Å; E85-D89 WeakPolarHBondContact O-CB 3.38Å; E85-D89 PolarHBondContact O-N 2.98Å; E85-D89 VanDerWaalsContact O-N 3.14Å
90L98Very high95.4Very high67 Ų6784.4 Ų84.435%0.35143%0.433SS..THydrogen-bonded Turntrans-108.433.5173.1-57175.4000112.2E85 A86 I88 E92 E93 F94E85-L90 PolarHBondContact O-N 3.13Å; A86-L90 CarbonylContact O-C 3.55Å; A86-L90 VanDerWaalsContact O-C 3.25Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 3.4Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.15Å; L90-E93 WeakPolarHBondContact CA-OE2 3.32Å; L90-E93 HydrophobicContact CB-CB 4.46Å; L90-E93 PolarHBondContact O-N 3Å; L90-E93 VanDerWaalsContact O-N 3.14Å; L90-E93 VanDerWaalsContact O-OE2 3.06Å; L90-F94 HydrophobicContact CB-CD2 3.82Å; L90-F94 HydrophobicContact CB-CE2 4.03Å; L90-F94 HydrophobicContact CD1-CE2 3.97Å; L90-F94 PolarHBondContact O-N 2.69Å; L90-F94 VanDerWaalsContact O-N 3.1Å
91G96.3Very high94.8Very high27 Ų2780.5 Ų80.528%0.27843%0.429SS..THydrogen-bonded Turntrans-60.6-28.3-166.600000115.3I88 S95I88-G91 PolarHBondContact O-N 3.49Å; G91-S95 WeakPolarHBondContact O-CA 3.23Å; G91-S95 VanDerWaalsContact O-CB 3.23Å; G91-S95 WeakPolarHBondContact O-CB 3.42Å; G91-S95 PolarHBondContact O-N 3.35Å; G91-S95 VanDerWaalsContact O-N 3.07Å
92E95.3Very high94.3Very high117 Ų11781.1 Ų81.155%0.54744%0.435SS..THydrogen-bonded Turntrans-75.6-41.4177.2179.964.5-158.900111.1L90 F94 S95 K121L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.15Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 2.9Å; E92-S95 WeakPolarHBondContact O-CB 3.43Å; E92-S95 PolarHBondContact O-N 2.79Å; E92-S95 PolarHBondContact O-OG 3.32Å; E92-K121 IonicContact OE1-NZ 2.67Å; E92-K121 PolarHBondContact OE1-NZ 3.03Å; E92-K121 IonicContact OE2-NZ 3.28Å; E92-K121 PolarHBondContact OE2-NZ 2.85Å
93E96.4Very high93.6Very high138 Ų13880.4 Ų80.465%0.64543%0.432SS*.THydrogen-bonded Turntrans-62.5-38.9177.5-65.777.8-176.900111.6L90L90-E93 WeakPolarHBondContact CA-OE2 3.32Å; L90-E93 HydrophobicContact CB-CB 4.46Å; L90-E93 PolarHBondContact O-N 3Å; L90-E93 VanDerWaalsContact O-N 3.14Å; L90-E93 VanDerWaalsContact O-OE2 3.06Å
94F96.9Very high93Very high98 Ų9881.9 Ų81.943%0.4344%0.435SS..THydrogen-bonded Turntrans-95.89.6177.6-71-94.6000113.7L77 A86 L87 L90 E92 G96L77-F94 HydrophobicContact CD1-CE1 4.32Å; A86-F94 HydrophobicContact CB-CD1 4.04Å; A86-F94 HydrophobicContact CB-CD2 3.94Å; A86-F94 HydrophobicContact CB-CE1 4Å; A86-F94 HydrophobicContact CB-CE2 3.9Å; A86-F94 HydrophobicContact CB-CG 4.01Å; A86-F94 HydrophobicContact CB-CZ 3.93Å; A86-F94 WeakPolarHBondContact O-CB 3.44Å; A86-F94 WeakPolarHBondContact O-CD2 3.23Å; A86-F94 WeakPolarHBondContact O-CG 3.48Å; L87-F94 HydrophobicContact CD2-CB 4.02Å; L90-F94 HydrophobicContact CB-CD2 3.82Å; L90-F94 HydrophobicContact CB-CE2 4.03Å; L90-F94 HydrophobicContact CD1-CE2 3.97Å; L90-F94 PolarHBondContact O-N 2.69Å; L90-F94 VanDerWaalsContact O-N 3.1Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 2.9Å; F94-G96 PolarHBondContact O-N 2.92Å
95S95.8Very high92.5Very high29 Ų2988.9 Ų88.920%0.20346%0.46CS..  trans-71-11-178.468.90000114.2G91 E92 R97G91-S95 WeakPolarHBondContact O-CA 3.23Å; G91-S95 VanDerWaalsContact O-CB 3.23Å; G91-S95 WeakPolarHBondContact O-CB 3.42Å; G91-S95 PolarHBondContact O-N 3.35Å; G91-S95 VanDerWaalsContact O-N 3.07Å; E92-S95 WeakPolarHBondContact O-CB 3.43Å; E92-S95 PolarHBondContact O-N 2.79Å; E92-S95 PolarHBondContact O-OG 3.32Å; S95-R97 PolarHBondContact O-NH1 3.37Å
96G94.6Very high92Very high43 Ų4387.4 Ų87.444%0.44347%0.467SS..  trans-62.8160.8-177.800000114.3F94 N116F94-G96 PolarHBondContact O-N 2.92Å; G96-N116 WeakPolarHBondContact CA-OD1 3.39Å
97R92.6Very high91.3Very high87 Ų8790 Ų9033%0.32848%0.481SS..  trans-106.4124.8169.9-60.4-64.7174.4-91.6-2.4109.2S95 V113 S115 N116 W120S95-R97 PolarHBondContact O-NH1 3.37Å; R97-V113 WeakPolarHBondContact CD-O 3.39Å; R97-S115 WeakPolarHBondContact CG-O 3.24Å; R97-N116 PolarHBondContact N-OD1 3.4Å; R97-N116 PolarHBondContact O-ND2 3.24Å; R97-N116 VanDerWaalsContact O-ND2 3.07Å; R97-W120 VanDerWaalsContact NH2-CZ2 3.27Å
98G88.1Confident90.7Very high54 Ų5493.7 Ų93.756%0.55749%0.487SS*.  trans-59.2146.5179.400000112.2
99H84.1Confident90.1Very high124 Ų12488.8 Ų88.857%0.57447%0.465SS*.  trans-80.2122.5174.6179.573.6000110
100F82.9Confident89.7Confident115 Ų11589.5 Ų89.550%0.50446%0.464SS..  trans-130.1128.6170.9-68.7-82.7000108.8L102 A103 E104F100-L102 PolarHBondContact O-N 3.1Å; F100-A103 HydrophobicContact CB-CB 4.16Å; F100-A103 WeakPolarHBondContact O-CB 3.48Å; F100-A103 PolarHBondContact O-N 3.15Å; F100-E104 PolarHBondContact O-N 3.45Å; F100-E104 VanDerWaalsContact O-N 3.08Å
101P85.6Confident89.4Confident85 Ų8587.7 Ų87.755%0.55246%0.462SS*.Hα-helixtrans-53.8-33.2-179.7-29.535.3000113.8R105P101-R105 WeakPolarHBondContact O-CG 3.43Å; P101-R105 PolarHBondContact O-N 3.14Å
102L87.1Confident89.2Confident141 Ų14189.2 Ų89.274%0.73846%0.463SS*.Hα-helixtrans-66.7-44.2176-177.562.4000112.4F100 E104 R105 A106F100-L102 PolarHBondContact O-N 3.1Å; L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 3.2Å; L102-R105 PolarHBondContact O-N 3.07Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.8Å
103A84.3Confident89.1Confident12 Ų1288.2 Ų88.210%0.09947%0.465CS..Hα-helixtrans-63.9-38.4177.900000111.4F100 A106 N107 F114F100-A103 HydrophobicContact CB-CB 4.16Å; F100-A103 WeakPolarHBondContact O-CB 3.48Å; F100-A103 PolarHBondContact O-N 3.15Å; A103-A106 PolarHBondContact O-N 3.28Å; A103-N107 PolarHBondContact O-N 2.69Å; A103-F114 HydrophobicContact CB-CB 4.35Å; A103-F114 HydrophobicContact CB-CD1 3.56Å; A103-F114 HydrophobicContact CB-CD2 4.25Å; A103-F114 HydrophobicContact CB-CE1 3.8Å; A103-F114 HydrophobicContact CB-CE2 4.46Å; A103-F114 HydrophobicContact CB-CG 3.81Å; A103-F114 HydrophobicContact CB-CZ 4.25Å
104E85.8Confident88.9Confident85 Ų8585.9 Ų85.940%0.39745%0.453SS..Hα-helixtrans-65.2-43.1176.2-170.257.7-150.300111.7F100 L102 A106 R108F100-E104 PolarHBondContact O-N 3.45Å; F100-E104 VanDerWaalsContact O-N 3.08Å; L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 3.2Å; E104-A106 PolarHBondContact O-N 2.74Å; E104-R108 WeakPolarHBondContact O-CA 3.47Å; E104-R108 VanDerWaalsContact O-CG 3.29Å; E104-R108 WeakPolarHBondContact O-CG 3.34Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 WeakPolarHBondContact OE1-CA 3.48Å
105R88.1Confident88.7Confident211 Ų21181.3 Ų81.380%0.79643%0.432SS*.Hα-helixtrans-64.3-40.1175.4-73.5177.8-175.3-176.51.8112.6P101 L102P101-R105 WeakPolarHBondContact O-CG 3.43Å; P101-R105 PolarHBondContact O-N 3.14Å; L102-R105 PolarHBondContact O-N 3.07Å
106A87Confident88.5Confident81 Ų8183.7 Ų83.767%0.66944%0.443SS*.Hα-helixtrans-73.6-40.3-175.700000112.9L102 A103 E104L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.8Å; A103-A106 PolarHBondContact O-N 3.28Å; E104-A106 PolarHBondContact O-N 2.74Å
107N83.9Confident88.5Confident60 Ų6083.6 Ų83.632%0.32144%0.442SS..Hα-helixtrans-138.3-2.3-168.1-155.34000114.3A103 G109 F110 F114A103-N107 PolarHBondContact O-N 2.69Å; N107-G109 PolarHBondContact O-N 2.72Å; N107-F110 VanDerWaalsContact CG-O 3.29Å; N107-F110 PolarHBondContact ND2-O 3.47Å; N107-F110 WeakPolarHBondContact O-CB 3.27Å; N107-F110 VanDerWaalsContact O-CD2 3.31Å; N107-F110 WeakPolarHBondContact O-CD2 3.44Å; N107-F110 PolarHBondContact O-N 3.06Å; N107-F114 HydrophobicContact CB-CD2 4.5Å
108R86.4Confident88.7Confident181 Ų18186.9 Ų86.968%0.68346%0.459SS*.THydrogen-bonded Turntrans48.236175.7-54.1178.8-173.6-1750.8114.7E104 F110E104-R108 WeakPolarHBondContact O-CA 3.47Å; E104-R108 VanDerWaalsContact O-CG 3.29Å; E104-R108 WeakPolarHBondContact O-CG 3.34Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 WeakPolarHBondContact OE1-CA 3.48Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 HydrophobicContact CB-CD2 3.86Å; R108-F110 HydrophobicContact CB-CE2 3.9Å; R108-F110 VanDerWaalsContact O-CD2 3.28Å; R108-F110 WeakPolarHBondContact O-CD2 3.35Å; R108-F110 WeakPolarHBondContact O-CE2 2.89Å; R108-F110 PolarHBondContact O-N 3.21Å
109G84.5Confident89Confident15 Ų1589.7 Ų89.716%0.15545%0.453CS..THydrogen-bonded Turntrans68.520.2-175.800000115.9N107 S115 R119N107-G109 PolarHBondContact O-N 2.72Å; G109-S115 WeakPolarHBondContact O-CB 3.47Å; G109-R119 PolarHBondContact O-NH1 3.07Å
110F90.1Very high89.5Confident109 Ų10985.2 Ų85.248%0.47843%0.431SS..  trans-96.4176.4173.2-62.8-77.2000112.3N107 R108N107-F110 VanDerWaalsContact CG-O 3.29Å; N107-F110 PolarHBondContact ND2-O 3.47Å; N107-F110 WeakPolarHBondContact O-CB 3.27Å; N107-F110 VanDerWaalsContact O-CD2 3.31Å; N107-F110 WeakPolarHBondContact O-CD2 3.44Å; N107-F110 PolarHBondContact O-N 3.06Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 HydrophobicContact CB-CD2 3.86Å; R108-F110 HydrophobicContact CB-CE2 3.9Å; R108-F110 VanDerWaalsContact O-CD2 3.28Å; R108-F110 WeakPolarHBondContact O-CD2 3.35Å; R108-F110 WeakPolarHBondContact O-CE2 2.89Å; R108-F110 PolarHBondContact O-N 3.21Å
111G90.9Very high90.1Very high29 Ų2984.3 Ų84.330%0.29943%0.427SS..THydrogen-bonded Turntrans74.1-150.4-17900000113.6S115G111-S115 VanDerWaalsContact O-CB 3.22Å; G111-S115 WeakPolarHBondContact O-CB 3.5Å; G111-S115 PolarHBondContact O-OG 2.95Å
112I93.8Very high90.7Very high60 Ų6085.5 Ų85.531%0.30843%0.425SS..THydrogen-bonded Turntrans-110.2-36.8-172.9-57.8163.6000112.2W120 I123 R124 S127I112-W120 PolarHBondContact O-NE1 3.39Å; I112-I123 HydrophobicContact CD1-CG2 4.01Å; I112-I123 HydrophobicContact CG1-CB 4.29Å; I112-I123 HydrophobicContact CG1-CG2 3.4Å; I112-R124 HydrophobicContact CG2-CB 4.42Å; I112-S127 WeakPolarHBondContact CD1-OG 3.31Å
113V92.3Very high91.1Very high95 Ų9581.5 Ų81.558%0.57640%0.404SS*.THydrogen-bonded Turntrans-76.4-40.3-169.7179.40000112R97R97-V113 WeakPolarHBondContact CD-O 3.39Å
114F91.4Very high91.8Very high90 Ų9086.1 Ų86.140%0.39542%0.419SS..SBendtrans-116.811.2-173.1-58.2-68000114A103 N107A103-F114 HydrophobicContact CB-CB 4.35Å; A103-F114 HydrophobicContact CB-CD1 3.56Å; A103-F114 HydrophobicContact CB-CD2 4.25Å; A103-F114 HydrophobicContact CB-CE1 3.8Å; A103-F114 HydrophobicContact CB-CE2 4.46Å; A103-F114 HydrophobicContact CB-CG 3.81Å; A103-F114 HydrophobicContact CB-CZ 4.25Å; N107-F114 HydrophobicContact CB-CD2 4.5Å
115S92.6Very high92.3Very high1 Ų190.9 Ų90.91%0.00743%0.433CS..  trans-90.1160.8174.863.30000111.5R97 G109 G111 W120R97-S115 WeakPolarHBondContact CG-O 3.24Å; G109-S115 WeakPolarHBondContact O-CB 3.47Å; G111-S115 VanDerWaalsContact O-CB 3.22Å; G111-S115 WeakPolarHBondContact O-CB 3.5Å; G111-S115 PolarHBondContact O-OG 2.95Å; S115-W120 WeakPolarHBondContact OG-CA 3.41Å; S115-W120 WeakPolarHBondContact OG-CB 3.22Å
116N93.4Very high92.8Very high79 Ų7986.9 Ų86.942%0.42242%0.422SS..  trans-130.9168.5-179.6-85.7-61000112G96 R97 W120G96-N116 WeakPolarHBondContact CA-OD1 3.39Å; R97-N116 PolarHBondContact N-OD1 3.4Å; R97-N116 PolarHBondContact O-ND2 3.24Å; R97-N116 VanDerWaalsContact O-ND2 3.07Å; N116-W120 PolarHBondContact O-N 2.77Å
117G94Very high93.3Very high42 Ų4284.3 Ų84.343%0.43340%0.399SS..Hα-helixtrans62.2-146.8170.700000114.4R119 W120 K121G117-R119 VanDerWaalsContact C-N 3.3Å; G117-R119 PolarHBondContact O-N 2.77Å; G117-W120 PolarHBondContact O-N 2.78Å; G117-K121 WeakPolarHBondContact O-CG 3.37Å; G117-K121 PolarHBondContact O-N 2.89Å
118K95.4Very high94Very high156 Ų15684.5 Ų84.568%0.67840%0.399SS*.Hα-helixtrans-55-44.1-177.7-177.4175.4174178.70112.5W120 K121 E122K118-W120 VanDerWaalsContact C-N 3.35Å; K118-W120 PolarHBondContact O-N 3.38Å; K118-K121 PolarHBondContact O-N 3.12Å; K118-E122 WeakPolarHBondContact CE-OE1 3.5Å; K118-E122 HydrophobicContact CG-CG 4.28Å; K118-E122 IonicContact NZ-OE1 3.78Å; K118-E122 WeakPolarHBondContact O-CG 3.46Å; K118-E122 PolarHBondContact O-N 3.19Å
119R94.5Very high94.5Very high112 Ų11280.1 Ų80.142%0.42339%0.388SS..Hα-helixtrans-54.5-50.3177.8-179.1-173.8-63.1160.50.2111.4G109 G117 I123G109-R119 PolarHBondContact O-NH1 3.07Å; G117-R119 VanDerWaalsContact C-N 3.3Å; G117-R119 PolarHBondContact O-N 2.77Å; R119-I123 HydrophobicContact CG-CD1 3.79Å; R119-I123 VanDerWaalsContact O-CG1 3.27Å; R119-I123 WeakPolarHBondContact O-CG1 3.08Å; R119-I123 PolarHBondContact O-N 2.75Å; R119-I123 VanDerWaalsContact O-N 3.12Å
120W95.6Very high95.2Very high31 Ų3181.2 Ų81.212%0.11739%0.392CS..Hα-helixtrans-62.6-47.1178.5173.776.4000112.1R97 I112 S115 N116 G117 K118 E122 R124R97-W120 VanDerWaalsContact NH2-CZ2 3.27Å; I112-W120 PolarHBondContact O-NE1 3.39Å; S115-W120 WeakPolarHBondContact OG-CA 3.41Å; S115-W120 WeakPolarHBondContact OG-CB 3.22Å; N116-W120 PolarHBondContact O-N 2.77Å; G117-W120 PolarHBondContact O-N 2.78Å; K118-W120 VanDerWaalsContact C-N 3.35Å; K118-W120 PolarHBondContact O-N 3.38Å; W120-E122 VanDerWaalsContact C-N 3.34Å; W120-E122 PolarHBondContact O-N 2.99Å; W120-R124 WeakPolarHBondContact O-CB 3.3Å; W120-R124 PolarHBondContact O-N 2.83Å
121K95.8Very high95.5Very high95 Ų9580.1 Ų80.141%0.41339%0.39SS..Hα-helixtrans-58.6-45.1-179.1-69.2-174.8179.9-171.40111.6E92 G117 K118 R125E92-K121 IonicContact OE1-NZ 2.67Å; E92-K121 PolarHBondContact OE1-NZ 3.03Å; E92-K121 IonicContact OE2-NZ 3.28Å; E92-K121 PolarHBondContact OE2-NZ 2.85Å; G117-K121 WeakPolarHBondContact O-CG 3.37Å; G117-K121 PolarHBondContact O-N 2.89Å; K118-K121 PolarHBondContact O-N 3.12Å; K121-R125 WeakPolarHBondContact O-CB 3.46Å; K121-R125 PolarHBondContact O-N 2.89Å; K121-R125 VanDerWaalsContact O-N 3.1Å
122E97.1Very high95.8Very high110 Ų11086.2 Ų86.251%0.51440%0.404SS..Hα-helixtrans-67-52.6-179.8-72.1176.8164.200112.3K118 W120 R124 R125 F126K118-E122 WeakPolarHBondContact CE-OE1 3.5Å; K118-E122 HydrophobicContact CG-CG 4.28Å; K118-E122 IonicContact NZ-OE1 3.78Å; K118-E122 WeakPolarHBondContact O-CG 3.46Å; K118-E122 PolarHBondContact O-N 3.19Å; W120-E122 VanDerWaalsContact C-N 3.34Å; W120-E122 PolarHBondContact O-N 2.99Å; E122-R124 PolarHBondContact O-N 3.45Å; E122-R125 PolarHBondContact O-N 3.46Å; E122-F126 WeakPolarHBondContact O-CB 3.47Å; E122-F126 PolarHBondContact O-N 3.5Å
123I97Very high95.9Very high58 Ų5889.4 Ų89.430%0.29742%0.422SS..Hα-helixtrans-66-42-177.2-56.9171000110I112 R119 R125 F126 S127I112-I123 HydrophobicContact CD1-CG2 4.01Å; I112-I123 HydrophobicContact CG1-CB 4.29Å; I112-I123 HydrophobicContact CG1-CG2 3.4Å; R119-I123 HydrophobicContact CG-CD1 3.79Å; R119-I123 VanDerWaalsContact O-CG1 3.27Å; R119-I123 WeakPolarHBondContact O-CG1 3.08Å; R119-I123 PolarHBondContact O-N 2.75Å; R119-I123 VanDerWaalsContact O-N 3.12Å; I123-R125 PolarHBondContact O-N 3.02Å; I123-F126 PolarHBondContact O-N 3.05Å; I123-S127 WeakPolarHBondContact O-CB 3.34Å; I123-S127 PolarHBondContact O-N 2.7Å; I123-S127 PolarHBondContact O-OG 3.29Å
124R97.2Very high96.1Very high109 Ų10992.2 Ų92.241%0.41143%0.426SS..Hα-helixtrans-59-46176.3177.8176174.782.7-3111.7I112 W120 E122 S127 L128I112-R124 HydrophobicContact CG2-CB 4.42Å; W120-R124 WeakPolarHBondContact O-CB 3.3Å; W120-R124 PolarHBondContact O-N 2.83Å; E122-R124 PolarHBondContact O-N 3.45Å; R124-S127 PolarHBondContact O-N 2.6Å; R124-L128 HydrophobicContact CG-CD1 3.98Å; R124-L128 HydrophobicContact CG-CG 4.48Å; R124-L128 WeakPolarHBondContact O-CB 3.38Å; R124-L128 WeakPolarHBondContact O-CG 3.29Å; R124-L128 PolarHBondContact O-N 2.88Å
125R97.6Very high96.3Very high184 Ų18488 Ų8869%0.69441%0.409SS*.Hα-helixtrans-62.5-48.3178.8-176.1178-178173.91.6110.9K121 E122 I123 L128 M129K121-R125 WeakPolarHBondContact O-CB 3.46Å; K121-R125 PolarHBondContact O-N 2.89Å; K121-R125 VanDerWaalsContact O-N 3.1Å; E122-R125 PolarHBondContact O-N 3.46Å; I123-R125 PolarHBondContact O-N 3.02Å; R125-L128 PolarHBondContact O-N 2.95Å; R125-M129 HydrophobicContact CG-CE 4.38Å; R125-M129 WeakPolarHBondContact O-CG 2.77Å; R125-M129 PolarHBondContact O-N 3.08Å; R125-M129 VanDerWaalsContact O-N 3.13Å
126F98Very high96.4Very high128 Ų12891.6 Ų91.656%0.56143%0.426SS*.Hα-helixtrans-56.2-52.3176.1173-99000111.3E122 I123 L128 M129 T130E122-F126 WeakPolarHBondContact O-CB 3.47Å; E122-F126 PolarHBondContact O-N 3.5Å; I123-F126 PolarHBondContact O-N 3.05Å; F126-L128 PolarHBondContact O-N 3.07Å; F126-M129 PolarHBondContact O-N 3.03Å; F126-T130 WeakPolarHBondContact O-CB 3.41Å; F126-T130 PolarHBondContact O-N 3.35Å; F126-T130 PolarHBondContact O-OG1 3.2Å
127S98.1Very high96.4Very high27 Ų2791.9 Ų91.919%0.18945%0.448CS..Hα-helixtrans-62.4-40.9-178-62.30000113.1I112 I123 R124 M129 T130 L131I112-S127 WeakPolarHBondContact CD1-OG 3.31Å; I123-S127 WeakPolarHBondContact O-CB 3.34Å; I123-S127 PolarHBondContact O-N 2.7Å; I123-S127 PolarHBondContact O-OG 3.29Å; R124-S127 PolarHBondContact O-N 2.6Å; S127-M129 PolarHBondContact O-N 3.45Å; S127-T130 PolarHBondContact O-N 2.82Å; S127-L131 WeakPolarHBondContact O-CB 3.29Å; S127-L131 VanDerWaalsContact O-CG 3.24Å; S127-L131 WeakPolarHBondContact O-CG 3.32Å; S127-L131 PolarHBondContact O-N 2.8Å
128L98Very high96.5Very high63 Ų6395.5 Ų95.533%0.3345%0.452SS..Hα-helixtrans-63.3-40.7176.4-75.7172000112.2R124 R125 F126 R132 M136R124-L128 HydrophobicContact CG-CD1 3.98Å; R124-L128 HydrophobicContact CG-CG 4.48Å; R124-L128 WeakPolarHBondContact O-CB 3.38Å; R124-L128 WeakPolarHBondContact O-CG 3.29Å; R124-L128 PolarHBondContact O-N 2.88Å; R125-L128 PolarHBondContact O-N 2.95Å; F126-L128 PolarHBondContact O-N 3.07Å; L128-R132 WeakPolarHBondContact O-CG 3.35Å; L128-R132 PolarHBondContact O-N 3.32Å; L128-R132 VanDerWaalsContact O-N 3.14Å; L128-M136 HydrophobicContact CD2-CE 4.35Å
129M97.9Very high96.5Very high90 Ų9096.8 Ų96.844%0.44345%0.452SS..Hα-helixtrans-64.9-47.3174.9-68.3-171.9-52.700111R125 F126 S127 L131 R132 N133R125-M129 HydrophobicContact CG-CE 4.38Å; R125-M129 WeakPolarHBondContact O-CG 2.77Å; R125-M129 PolarHBondContact O-N 3.08Å; R125-M129 VanDerWaalsContact O-N 3.13Å; F126-M129 PolarHBondContact O-N 3.03Å; S127-M129 PolarHBondContact O-N 3.45Å; M129-L131 PolarHBondContact O-N 3.39Å; M129-R132 PolarHBondContact O-N 2.67Å; M129-N133 VanDerWaalsContact O-CG 3.29Å; M129-N133 PolarHBondContact O-N 2.96Å; M129-N133 PolarHBondContact O-OD1 2.82Å
130T98.1Very high96.5Very high38 Ų3894.2 Ų94.223%0.23345%0.452CS..Hα-helixtrans-60.3-44.4179.2-61.10000111.6F126 S127 R132 N133 F134F126-T130 WeakPolarHBondContact O-CB 3.41Å; F126-T130 PolarHBondContact O-N 3.35Å; F126-T130 PolarHBondContact O-OG1 3.2Å; S127-T130 PolarHBondContact O-N 2.82Å; T130-R132 PolarHBondContact O-N 3.34Å; T130-N133 WeakPolarHBondContact O-CB 3.42Å; T130-N133 PolarHBondContact O-N 2.94Å; T130-F134 HydrophobicContact CG2-CD2 3.63Å; T130-F134 HydrophobicContact CG2-CE2 3.43Å; T130-F134 VanDerWaalsContact CG2-CE2 3.43Å; T130-F134 WeakPolarHBondContact O-CD2 3.28Å; T130-F134 PolarHBondContact O-N 3.32Å
131L97.7Very high96.6Very high86 Ų8695.3 Ų95.345%0.4546%0.459SS..Hα-helixtrans-61.5-42.3176-73.2171.3000112.3S127 M129 N133 F134 G135 M136S127-L131 WeakPolarHBondContact O-CB 3.29Å; S127-L131 VanDerWaalsContact O-CG 3.24Å; S127-L131 WeakPolarHBondContact O-CG 3.32Å; S127-L131 PolarHBondContact O-N 2.8Å; M129-L131 PolarHBondContact O-N 3.39Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.06Å; L131-F134 CarbonylContact O-C 3.51Å; L131-F134 PolarHBondContact O-N 3.47Å; L131-G135 PolarHBondContact O-N 2.97Å; L131-M136 HydrophobicContact CB-CB 4.07Å; L131-M136 HydrophobicContact CB-CE 3.8Å; L131-M136 HydrophobicContact CB-SD 3.82Å; L131-M136 HydrophobicContact CD1-SD 4.08Å; L131-M136 WeakPolarHBondContact O-CB 3.4Å; L131-M136 PolarHBondContact O-N 2.72Å
132R96.2Very high96.6Very high156 Ų15695.9 Ų95.959%0.58946%0.463SS*.Hα-helixtrans-64.2-37.5174.6-74175.3173.2176.5-2.2112.3L128 M129 T130 F134 G135 M136 K138L128-R132 WeakPolarHBondContact O-CG 3.35Å; L128-R132 PolarHBondContact O-N 3.32Å; L128-R132 VanDerWaalsContact O-N 3.14Å; M129-R132 PolarHBondContact O-N 2.67Å; T130-R132 PolarHBondContact O-N 3.34Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-G135 PolarHBondContact O-N 3.18Å; R132-G135 VanDerWaalsContact O-N 3.09Å; R132-M136 HydrophobicContact CG-CE 3.82Å; R132-K138 WeakPolarHBondContact O-CE 3.37Å; R132-K138 PolarHBondContact O-NZ 3.02Å
133N96.3Very high96.6Very high127 Ų12794 Ų9468%0.67946%0.457SS*.Hα-helixtrans-64.8-39.7175.4-71.4-8.6000111.3M129 T130 L131 G135M129-N133 VanDerWaalsContact O-CG 3.29Å; M129-N133 PolarHBondContact O-N 2.96Å; M129-N133 PolarHBondContact O-OD1 2.82Å; T130-N133 WeakPolarHBondContact O-CB 3.42Å; T130-N133 PolarHBondContact O-N 2.94Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.06Å; N133-G135 PolarHBondContact O-N 2.94Å
134F96.1Very high96.6Very high154 Ų15498.6 Ų98.668%0.67547%0.47SS*.THydrogen-bonded Turntrans-75.87.9172.2-73.3-62.8000114.6T130 L131 R132T130-F134 HydrophobicContact CG2-CD2 3.63Å; T130-F134 HydrophobicContact CG2-CE2 3.43Å; T130-F134 VanDerWaalsContact CG2-CE2 3.43Å; T130-F134 WeakPolarHBondContact O-CD2 3.28Å; T130-F134 PolarHBondContact O-N 3.32Å; L131-F134 CarbonylContact O-C 3.51Å; L131-F134 PolarHBondContact O-N 3.47Å; R132-F134 VanDerWaalsContact C-N 3.34Å
135G95.1Very high96.7Very high2 Ų297.8 Ų97.82%0.02148%0.477CS..THydrogen-bonded Turntrans99.58.6169.600000115.7L131 R132 N133 G137 K138 S140 I141L131-G135 PolarHBondContact O-N 2.97Å; R132-G135 PolarHBondContact O-N 3.18Å; R132-G135 VanDerWaalsContact O-N 3.09Å; N133-G135 PolarHBondContact O-N 2.94Å; G135-G137 PolarHBondContact O-N 3.47Å; G135-K138 WeakPolarHBondContact O-CA 3.3Å; G135-K138 WeakPolarHBondContact O-CB 3.15Å; G135-K138 PolarHBondContact O-N 3.22Å; G135-S140 WeakPolarHBondContact CA-OG 3.33Å; G135-I141 WeakPolarHBondContact O-CB 3.24Å; G135-I141 WeakPolarHBondContact O-CG1 3.32Å
136M95.4Very high96.7Very high76 Ų7692.8 Ų92.837%0.37446%0.462SS..THydrogen-bonded Turntrans-57.7123.5173.4-176.3-177.668.800110.1L128 L131 R132 K138L128-M136 HydrophobicContact CD2-CE 4.35Å; L131-M136 HydrophobicContact CB-CB 4.07Å; L131-M136 HydrophobicContact CB-CE 3.8Å; L131-M136 HydrophobicContact CB-SD 3.82Å; L131-M136 HydrophobicContact CD1-SD 4.08Å; L131-M136 WeakPolarHBondContact O-CB 3.4Å; L131-M136 PolarHBondContact O-N 2.72Å; R132-M136 HydrophobicContact CG-CE 3.82Å; M136-K138 VanDerWaalsContact C-N 3.34Å
137G94.1Very high96.7Very high85 Ų8592 Ų9288%0.87646%0.46SS*.THydrogen-bonded Turntrans80.211.1-173.900000114.5G135G135-G137 PolarHBondContact O-N 3.47Å
138K95.8Very high96.8Very high119 Ų11996.7 Ų96.752%0.51748%0.479SS..SBendtrans-118.7162175.4-51.3-174-170.8169.10110.6R132 G135 M136 S140 I141 E142R132-K138 WeakPolarHBondContact O-CE 3.37Å; R132-K138 PolarHBondContact O-NZ 3.02Å; G135-K138 WeakPolarHBondContact O-CA 3.3Å; G135-K138 WeakPolarHBondContact O-CB 3.15Å; G135-K138 PolarHBondContact O-N 3.22Å; M136-K138 VanDerWaalsContact C-N 3.34Å; K138-S140 PolarHBondContact O-N 3.25Å; K138-S140 VanDerWaalsContact O-N 3.16Å; K138-I141 PolarHBondContact O-N 3.19Å; K138-I141 VanDerWaalsContact O-N 3.13Å; K138-E142 PolarHBondContact O-N 3.39Å
139R95.2Very high96.8Very high182 Ų18296 Ų9669%0.68748%0.482SS*.Hα-helixtrans-54.8-32.4177.5-169174.4-179.41672.9113.5I141 E142 D143R139-I141 VanDerWaalsContact C-N 3.3Å; R139-I141 PolarHBondContact O-N 2.88Å; R139-E142 CarbonylContact O-C 3.59Å; R139-E142 WeakPolarHBondContact O-CA 3.34Å; R139-E142 VanDerWaalsContact O-CB 3.3Å; R139-E142 WeakPolarHBondContact O-CB 3.32Å; R139-E142 PolarHBondContact O-N 2.89Å; R139-D143 IonicContact NE-OD1 2.78Å; R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.21Å
140S94.5Very high96.8Very high59 Ų5999.8 Ų99.841%0.41349%0.492SS..Hα-helixtrans-61.6-33.3179.262.20000114.1G135 K138 R144G135-S140 WeakPolarHBondContact CA-OG 3.33Å; K138-S140 PolarHBondContact O-N 3.25Å; K138-S140 VanDerWaalsContact O-N 3.16Å; S140-R144 WeakPolarHBondContact O-CG 3.45Å; S140-R144 PolarHBondContact O-N 2.94Å
141I97.1Very high96.8Very high53 Ų53101 Ų10127%0.27250%0.501SS..Hα-helixtrans-79.1-34.3172.8-74.5-67.6000110.9G135 K138 R139 D143 R144 V145G135-I141 WeakPolarHBondContact O-CB 3.24Å; G135-I141 WeakPolarHBondContact O-CG1 3.32Å; K138-I141 PolarHBondContact O-N 3.19Å; K138-I141 VanDerWaalsContact O-N 3.13Å; R139-I141 VanDerWaalsContact C-N 3.3Å; R139-I141 PolarHBondContact O-N 2.88Å; I141-D143 VanDerWaalsContact C-N 3.33Å; I141-D143 PolarHBondContact O-N 3.18Å; I141-R144 PolarHBondContact O-N 3.4Å; I141-V145 HydrophobicContact CG2-CG2 4.31Å; I141-V145 VanDerWaalsContact O-CG2 3.32Å; I141-V145 WeakPolarHBondContact O-CG2 3.05Å; I141-V145 PolarHBondContact O-N 2.94Å
142E96.9Very high96.8Very high108 Ų108102 Ų10251%0.50551%0.506SS..Hα-helixtrans-57.3-47.3172-175.9-173.1172.700111.2K138 R139 R144 V145 Q146K138-E142 PolarHBondContact O-N 3.39Å; R139-E142 CarbonylContact O-C 3.59Å; R139-E142 WeakPolarHBondContact O-CA 3.34Å; R139-E142 VanDerWaalsContact O-CB 3.3Å; R139-E142 WeakPolarHBondContact O-CB 3.32Å; R139-E142 PolarHBondContact O-N 2.89Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.49Å; E142-V145 PolarHBondContact O-N 3.36Å; E142-V145 VanDerWaalsContact O-N 3.12Å; E142-Q146 WeakPolarHBondContact O-CG 3.33Å; E142-Q146 PolarHBondContact O-N 3.45Å
143D97.1Very high96.9Very high71 Ų7198 Ų9838%0.3850%0.499SS..Hα-helixtrans-59.1-42.1178.9-64.3-29.9000111.3R139 I141 Q146 E147R139-D143 IonicContact NE-OD1 2.78Å; R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.21Å; I141-D143 VanDerWaalsContact C-N 3.33Å; I141-D143 PolarHBondContact O-N 3.18Å; D143-Q146 PolarHBondContact O-N 3.36Å; D143-E147 PolarHBondContact O-N 3.32Å
144R97.3Very high96.9Very high153 Ų15396.6 Ų96.658%0.57749%0.488SS*.Hα-helixtrans-66.1-39.9175.3-70.3-178.169.1-160.80.6112.7S140 I141 E142 Q146 E147 E148S140-R144 WeakPolarHBondContact O-CG 3.45Å; S140-R144 PolarHBondContact O-N 2.94Å; I141-R144 PolarHBondContact O-N 3.4Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.49Å; R144-Q146 VanDerWaalsContact C-N 3.31Å; R144-E147 WeakPolarHBondContact O-CB 3.43Å; R144-E147 PolarHBondContact O-N 2.95Å; R144-E148 WeakPolarHBondContact O-CG 3.25Å; R144-E148 PolarHBondContact O-N 2.89Å
145V97.9Very high97Very high92 Ų9294.3 Ų94.356%0.55848%0.48SS*.Hα-helixtrans-64.3-39.6175.5171.10000110.6I141 E142 A149I141-V145 HydrophobicContact CG2-CG2 4.31Å; I141-V145 VanDerWaalsContact O-CG2 3.32Å; I141-V145 WeakPolarHBondContact O-CG2 3.05Å; I141-V145 PolarHBondContact O-N 2.94Å; E142-V145 PolarHBondContact O-N 3.36Å; E142-V145 VanDerWaalsContact O-N 3.12Å; V145-A149 WeakPolarHBondContact O-CB 3.37Å; V145-A149 PolarHBondContact O-N 3.32Å
146Q98.3Very high97.1Very high80 Ų8098.8 Ų98.837%0.37450%0.503SS..Hα-helixtrans-65.3-39.3175.2-70.7-178.6-0.900112.3E142 D143 R144 A149 R150E142-Q146 WeakPolarHBondContact O-CG 3.33Å; E142-Q146 PolarHBondContact O-N 3.45Å; D143-Q146 PolarHBondContact O-N 3.36Å; R144-Q146 VanDerWaalsContact C-N 3.31Å; Q146-A149 PolarHBondContact O-N 2.9Å; Q146-R150 WeakPolarHBondContact O-CG 3.47Å; Q146-R150 PolarHBondContact O-N 3.36Å
147E98.4Very high97.1Very high112 Ų112103 Ų10352%0.52352%0.515SS..Hα-helixtrans-59.8-52.9174.4-175.7177.2-169.200111.3D143 R144 A149 R150 C151D143-E147 PolarHBondContact O-N 3.32Å; R144-E147 WeakPolarHBondContact O-CB 3.43Å; R144-E147 PolarHBondContact O-N 2.95Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.46Å; E147-R150 WeakPolarHBondContact O-CB 3.48Å; E147-R150 PolarHBondContact O-N 3.48Å; E147-C151 PolarHBondContact O-N 2.93Å; E147-C151 PolarHBondContact O-SG 3.19Å
148E98.5Very high97.1Very high124 Ų124105.2 Ų105.258%0.57950%0.5SS*.Hα-helixtrans-60.8-36.2177.3-67.1-62.3162.600112.3R144 R150 C151 L152R144-E148 WeakPolarHBondContact O-CG 3.25Å; R144-E148 PolarHBondContact O-N 2.89Å; E148-R150 VanDerWaalsContact C-N 3.35Å; E148-R150 PolarHBondContact O-N 3.27Å; E148-C151 PolarHBondContact O-N 3.46Å; E148-L152 WeakPolarHBondContact O-CB 3.25Å; E148-L152 PolarHBondContact O-N 3.47Å
149A98.6Very high96.9Very high49 Ų49104.8 Ų104.841%0.40551%0.507SS..Hα-helixtrans-64.3-37.7174.900000112.4V145 Q146 E147 L152 V153V145-A149 WeakPolarHBondContact O-CB 3.37Å; V145-A149 PolarHBondContact O-N 3.32Å; Q146-A149 PolarHBondContact O-N 2.9Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.46Å; A149-L152 PolarHBondContact O-N 3.37Å; A149-V153 WeakPolarHBondContact O-CG2 3.43Å; A149-V153 PolarHBondContact O-N 2.89Å
150R98.4Very high95.6Very high170 Ų170104.7 Ų104.764%0.64251%0.512SS*.Hα-helixtrans-66.6-44.3174.2-69.6172.5-167151.27.6111.1Q146 E147 E148 L152 V153 E154Q146-R150 WeakPolarHBondContact O-CG 3.47Å; Q146-R150 PolarHBondContact O-N 3.36Å; E147-R150 WeakPolarHBondContact O-CB 3.48Å; E147-R150 PolarHBondContact O-N 3.48Å; E148-R150 VanDerWaalsContact C-N 3.35Å; E148-R150 PolarHBondContact O-N 3.27Å; R150-L152 VanDerWaalsContact C-N 3.3Å; R150-L152 PolarHBondContact O-N 2.92Å; R150-V153 PolarHBondContact O-N 2.76Å; R150-E154 PolarHBondContact O-N 2.91Å
151C98.3Very high93.8Very high64 Ų64105.7 Ų105.743%0.43253%0.531SS..Hα-helixtrans-56.9-45.4174.3-65.40000111.2E147 E148 V153 E154 E155E147-C151 PolarHBondContact O-N 2.93Å; E147-C151 PolarHBondContact O-SG 3.19Å; E148-C151 PolarHBondContact O-N 3.46Å; C151-V153 PolarHBondContact O-N 2.92Å; C151-E154 PolarHBondContact O-N 2.99Å; C151-E155 PolarHBondContact O-N 2.9Å
152L98.1Very high91.3Very high106 Ų106109.9 Ų109.956%0.55559%0.588SS**Hα-helixtrans-59.8-45.9176.5177.362.8000112.3E148 A149 R150 E154 E155 L156E148-L152 WeakPolarHBondContact O-CB 3.25Å; E148-L152 PolarHBondContact O-N 3.47Å; A149-L152 PolarHBondContact O-N 3.37Å; R150-L152 VanDerWaalsContact C-N 3.3Å; R150-L152 PolarHBondContact O-N 2.92Å; L152-E154 VanDerWaalsContact C-N 3.26Å; L152-E154 PolarHBondContact O-N 3.4Å; L152-E155 PolarHBondContact O-N 2.9Å; L152-L156 HydrophobicContact CD1-CD1 4.34Å; L152-L156 HydrophobicContact CD1-CG 4.32Å; L152-L156 HydrophobicContact CG-CD1 4.17Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.36Å
153V97.8Very high91Very high71 Ų71110 Ų11043%0.4359%0.592SS.*Hα-helixtrans-60.4-39.8177.4168.20000111.1A149 R150 C151 L156 R157A149-V153 WeakPolarHBondContact O-CG2 3.43Å; A149-V153 PolarHBondContact O-N 2.89Å; R150-V153 PolarHBondContact O-N 2.76Å; C151-V153 PolarHBondContact O-N 2.92Å; V153-L156 PolarHBondContact O-N 3.49Å; V153-R157 WeakPolarHBondContact O-CG 3.36Å; V153-R157 PolarHBondContact O-N 3.4Å
154E97.1Very high90.6Very high99 Ų99112 Ų11246%0.46360%0.603SS.*Hα-helixtrans-67-43.1179.2-163.658.1-157.300111.9R150 C151 L152 L156 R157 K158R150-E154 PolarHBondContact O-N 2.91Å; C151-E154 PolarHBondContact O-N 2.99Å; L152-E154 VanDerWaalsContact C-N 3.26Å; L152-E154 PolarHBondContact O-N 3.4Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.31Å; E154-R157 WeakPolarHBondContact O-CB 3.47Å; E154-R157 PolarHBondContact O-N 3.47Å; E154-K158 WeakPolarHBondContact O-CG 3.4Å; E154-K158 PolarHBondContact O-N 3.25Å
155E96.9Very high90.3Very high105 Ų105109.7 Ų109.749%0.49160%0.604SS.*Hα-helixtrans-63-39.5173.5-70-54.613400112.3C151 L152 R157 K158 T159C151-E155 PolarHBondContact O-N 2.9Å; L152-E155 PolarHBondContact O-N 2.9Å; E155-R157 VanDerWaalsContact C-N 3.27Å; E155-R157 PolarHBondContact O-N 3.15Å; E155-K158 PolarHBondContact O-N 2.97Å; E155-K158 IonicContact OE1-NZ 4Å; E155-K158 PolarHBondContact OE1-NZ 2.92Å; E155-K158 IonicContact OE2-NZ 2.95Å; E155-T159 PolarHBondContact O-N 3.25Å
156L96.7Very high89.8Confident97 Ų97110.8 Ų110.851%0.50861%0.607SS.*Hα-helixtrans-65.8-27.8174.9-72.2174.1000113.2L152 V153 E154 T159L152-L156 HydrophobicContact CD1-CD1 4.34Å; L152-L156 HydrophobicContact CD1-CG 4.32Å; L152-L156 HydrophobicContact CG-CD1 4.17Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.36Å; V153-L156 PolarHBondContact O-N 3.49Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.31Å; L156-T159 PolarHBondContact O-OG1 2.78Å
157R95.6Very high89.3Confident165 Ų165112.7 Ų112.762%0.62362%0.622SS**Hα-helixtrans-69.9-38.6174.4-80.7-176.8157.2122.41.1111.8V153 E154 E155 T159 K160V153-R157 WeakPolarHBondContact O-CG 3.36Å; V153-R157 PolarHBondContact O-N 3.4Å; E154-R157 WeakPolarHBondContact O-CB 3.47Å; E154-R157 PolarHBondContact O-N 3.47Å; E155-R157 VanDerWaalsContact C-N 3.27Å; E155-R157 PolarHBondContact O-N 3.15Å; R157-T159 PolarHBondContact O-N 3.48Å; R157-K160 PolarHBondContact O-N 2.92Å; R157-K160 VanDerWaalsContact O-N 3.15Å
158K95Very high88.7Confident130 Ų130112.7 Ų112.757%0.56563%0.628SS**Hα-helixtrans-61.9-28.4178.5-64.9172.8-172.5173.40112.8E154 E155E154-K158 WeakPolarHBondContact O-CG 3.4Å; E154-K158 PolarHBondContact O-N 3.25Å; E155-K158 PolarHBondContact O-N 2.97Å; E155-K158 IonicContact OE1-NZ 4Å; E155-K158 PolarHBondContact OE1-NZ 2.92Å; E155-K158 IonicContact OE2-NZ 2.95Å
159T91.3Very high88Confident110 Ų110111.9 Ų111.968%0.67563%0.632SS**THydrogen-bonded Turntrans-81.8-12.317961.20000114.2E155 L156 R157 G161E155-T159 PolarHBondContact O-N 3.25Å; L156-T159 PolarHBondContact O-OG1 2.78Å; R157-T159 PolarHBondContact O-N 3.48Å; T159-G161 VanDerWaalsContact C-N 3.32Å
160K67.8Low87.2Confident181 Ų181116.8 Ų116.879%0.78765%0.649SS**THydrogen-bonded Turntrans-92.420176.4-68.9-169175.6-174.40114R157 G162R157-K160 PolarHBondContact O-N 2.92Å; R157-K160 VanDerWaalsContact O-N 3.15Å; K160-G162 VanDerWaalsContact C-N 3.28Å; K160-G162 PolarHBondContact O-N 3.1Å
161G57.8Low86.2Confident79 Ų79112.3 Ų112.381%0.81465%0.65SS**  trans-8946.1172.200000113.7T159T159-G161 VanDerWaalsContact C-N 3.32Å
162G42.6Very low85.2Confident141 Ų141116.7 Ų116.7100%1.45467%0.669SS**  trans-153.80173.800000110.4K160K160-G162 VanDerWaalsContact C-N 3.28Å; K160-G162 PolarHBondContact O-N 3.1Å

Retrieved 162 of 162 residues in 28.1 ms (Link to these results)

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