A0A087XC59_POEFO Loading...

Hydroxysteroid (11-beta) dehydrogenase 1-like a

AlphaFold DB , UniProt , Accession A0A087XC59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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
1M63.1Low84Confident206 Ų206104.1 Ų104.1100%1.01557%0.573SS**  0-50.70-148.2162.587.400112.7T3 F4 V5M1-T3 PolarHBondContact O-N 2.95Å; M1-F4 PolarHBondContact O-N 2.68Å; M1-V5 WeakPolarHBondContact O-CG2 3.35Å; M1-V5 PolarHBondContact O-N 3.47Å; M1-V5 VanDerWaalsContact O-N 3.17Å
2A77.2Confident84.2Confident66 Ų66104.1 Ų104.155%0.54557%0.57SS.*Hα-helixtrans-60.6-39.2-177.400000115.4K6A2-K6 WeakPolarHBondContact O-CG 3.24Å; A2-K6 PolarHBondContact O-N 3.03Å
3T84.9Confident84.2Confident103 Ų103103.4 Ų103.463%0.63256%0.564SS**Hα-helixtrans-68-41.2179-44.30000112.3M1 K6 I7M1-T3 PolarHBondContact O-N 2.95Å; T3-K6 PolarHBondContact O-N 3.19Å; T3-I7 HydrophobicContact CG2-CD1 4.16Å; T3-I7 WeakPolarHBondContact O-CG1 3.39Å; T3-I7 PolarHBondContact O-N 2.68Å
4F85.8Confident84.3Confident144 Ų144100.1 Ų100.163%0.63256%0.558SS**Hα-helixtrans-62.9-43.6176.5-179.9-98.1000111.6M1 K6 I7 L8M1-F4 PolarHBondContact O-N 2.68Å; F4-K6 PolarHBondContact O-N 3.13Å; F4-I7 PolarHBondContact O-N 3.17Å; F4-L8 WeakPolarHBondContact O-CB 3.31Å; F4-L8 PolarHBondContact O-N 3.07Å
5V86.3Confident83.9Confident66 Ų6696.9 Ų96.940%0.455%0.55SS..Hα-helixtrans-62.5-42.1176.11740000111.4M1 L8 I9M1-V5 WeakPolarHBondContact O-CG2 3.35Å; M1-V5 PolarHBondContact O-N 3.47Å; M1-V5 VanDerWaalsContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 2.93Å; V5-I9 HydrophobicContact CG1-CD1 3.73Å; V5-I9 HydrophobicContact CG1-CG1 4.38Å; V5-I9 WeakPolarHBondContact O-CB 3.4Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CG1 3.4Å; V5-I9 PolarHBondContact O-N 3.29Å
6K87Confident83.6Confident158 Ų15898.3 Ų98.369%0.68754%0.544SS*.Hα-helixtrans-63.2-42.2176.2-73.4176.6-178.5-175.20112.5A2 T3 F4 G10A2-K6 WeakPolarHBondContact O-CG 3.24Å; A2-K6 PolarHBondContact O-N 3.03Å; T3-K6 PolarHBondContact O-N 3.19Å; F4-K6 PolarHBondContact O-N 3.13Å; K6-G10 PolarHBondContact O-N 3.45Å
7I89.3Confident83.3Confident106 Ų10698.4 Ų98.454%0.54454%0.543SS..Hα-helixtrans-64.3-45175.9-68167.1000110.1T3 F4 G10 S11T3-I7 HydrophobicContact CG2-CD1 4.16Å; T3-I7 WeakPolarHBondContact O-CG1 3.39Å; T3-I7 PolarHBondContact O-N 2.68Å; F4-I7 PolarHBondContact O-N 3.17Å; I7-G10 PolarHBondContact O-N 3.24Å; I7-S11 WeakPolarHBondContact O-CB 3.39Å; I7-S11 PolarHBondContact O-N 3.44Å; I7-S11 PolarHBondContact O-OG 3.44Å
8L88.9Confident82.9Confident86 Ų8695.9 Ų95.945%0.4554%0.538SS..Hα-helixtrans-60.6-47.9178.2-177.764.8000112F4 V5 S11 I12F4-L8 WeakPolarHBondContact O-CB 3.31Å; F4-L8 PolarHBondContact O-N 3.07Å; V5-L8 PolarHBondContact O-N 2.93Å; L8-S11 PolarHBondContact O-N 2.91Å; L8-I12 HydrophobicContact CD1-CD1 4.17Å; L8-I12 HydrophobicContact CG-CD1 3.99Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 3.31Å
9I86.4Confident82.4Confident103 Ų10397.1 Ų97.153%0.52854%0.54SS..Hα-helixtrans-62.5-44.1177-67.6169.4000110.5V5 S11 I12 L13V5-I9 HydrophobicContact CG1-CD1 3.73Å; V5-I9 HydrophobicContact CG1-CG1 4.38Å; V5-I9 WeakPolarHBondContact O-CB 3.4Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CG1 3.4Å; V5-I9 PolarHBondContact O-N 3.29Å; I9-S11 PolarHBondContact O-N 3.21Å; I9-I12 PolarHBondContact O-N 3.47Å; I9-L13 WeakPolarHBondContact O-CB 3.32Å; I9-L13 PolarHBondContact O-N 3.3Å
10G87.9Confident81.8Confident38 Ų3898.9 Ų98.939%0.39254%0.542SS..Hα-helixtrans-59.7-43.5176.700000112.5K6 I7 L13 A14K6-G10 PolarHBondContact O-N 3.45Å; I7-G10 PolarHBondContact O-N 3.24Å; G10-L13 PolarHBondContact O-N 3.47Å; G10-A14 WeakPolarHBondContact O-CB 3.49Å; G10-A14 PolarHBondContact O-N 2.91Å
11S87.1Confident81.4Confident69 Ų69105.3 Ų105.348%0.48356%0.559SS.*Hα-helixtrans-66.8-41.4176.9-63.70000112.6I7 L8 I9 A14 A15I7-S11 WeakPolarHBondContact O-CB 3.39Å; I7-S11 PolarHBondContact O-N 3.44Å; I7-S11 PolarHBondContact O-OG 3.44Å; L8-S11 PolarHBondContact O-N 2.91Å; I9-S11 PolarHBondContact O-N 3.21Å; S11-A14 PolarHBondContact O-N 3.14Å; S11-A15 WeakPolarHBondContact O-CB 3.37Å; S11-A15 PolarHBondContact O-N 3.45Å
12I86.6Confident81.9Confident104 Ų104100.9 Ų100.953%0.53354%0.543SS..Hα-helixtrans-63.5-43.8175.2-69.2167000110.4L8 I9 A15 Y16L8-I12 HydrophobicContact CD1-CD1 4.17Å; L8-I12 HydrophobicContact CG-CD1 3.99Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 3.31Å; I9-I12 PolarHBondContact O-N 3.47Å; I12-A15 PolarHBondContact O-N 3.11Å; I12-Y16 WeakPolarHBondContact O-CB 3.47Å; I12-Y16 PolarHBondContact O-N 3.37Å
13L84.4Confident81.7Confident95 Ų95100.2 Ų100.250%0.49754%0.538SS..Hα-helixtrans-64.3-44.4177.7-175.164.7000111.5I9 G10 Y16 L17I9-L13 WeakPolarHBondContact O-CB 3.32Å; I9-L13 PolarHBondContact O-N 3.3Å; G10-L13 PolarHBondContact O-N 3.47Å; L13-Y16 PolarHBondContact O-N 3.2Å; L13-L17 HydrophobicContact CD1-CG 4.47Å; L13-L17 HydrophobicContact CG-CD1 4.14Å; L13-L17 HydrophobicContact CG-CG 4.49Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.02Å
14A84.7Confident81.5Confident57 Ų5798.5 Ų98.547%0.47153%0.529SS..Hα-helixtrans-62.1-43.3176.600000111.7G10 S11 L17 A18G10-A14 WeakPolarHBondContact O-CB 3.49Å; G10-A14 PolarHBondContact O-N 2.91Å; S11-A14 PolarHBondContact O-N 3.14Å; A14-L17 PolarHBondContact O-N 3.11Å; A14-A18 VanDerWaalsContact O-CB 3.31Å; A14-A18 WeakPolarHBondContact O-CB 3.41Å; A14-A18 PolarHBondContact O-N 3.37Å
15A79.6Confident81.5Confident53 Ų5395.8 Ų95.844%0.43853%0.527SS..Hα-helixtrans-63-42.9174.600000111.9S11 I12 A18 M19S11-A15 WeakPolarHBondContact O-CB 3.37Å; S11-A15 PolarHBondContact O-N 3.45Å; I12-A15 PolarHBondContact O-N 3.11Å; A15-A18 PolarHBondContact O-N 3.32Å; A15-M19 WeakPolarHBondContact O-CB 3.41Å; A15-M19 VanDerWaalsContact O-CG 3.31Å; A15-M19 WeakPolarHBondContact O-CG 3.31Å; A15-M19 PolarHBondContact O-N 3.19Å
16Y78.7Confident81.9Confident118 Ų11895 Ų9546%0.46352%0.518SS..Hα-helixtrans-62.1-44.8175.7175.1-101.6000112.5I12 L13 M19 K20I12-Y16 WeakPolarHBondContact O-CB 3.47Å; I12-Y16 PolarHBondContact O-N 3.37Å; L13-Y16 PolarHBondContact O-N 3.2Å; Y16-M19 PolarHBondContact O-N 3.42Å; Y16-K20 HydrophobicContact CE1-CG 4.14Å; Y16-K20 HydrophobicContact CE2-CG 4.29Å; Y16-K20 WeakPolarHBondContact O-CB 3.28Å; Y16-K20 WeakPolarHBondContact O-CG 3.25Å; Y16-K20 PolarHBondContact O-N 2.87Å; Y16-K20 WeakPolarHBondContact OH-CE 3.41Å
17L77.9Confident82.2Confident100 Ų10093 Ų9352%0.52451%0.511SS..Hα-helixtrans-65.7-41.5176.8-70.7173.8000111.7L13 A14 K20 W21L13-L17 HydrophobicContact CD1-CG 4.47Å; L13-L17 HydrophobicContact CG-CD1 4.14Å; L13-L17 HydrophobicContact CG-CG 4.49Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.02Å; A14-L17 PolarHBondContact O-N 3.11Å; L17-K20 PolarHBondContact O-N 3.06Å; L17-W21 WeakPolarHBondContact O-CB 3.31Å; L17-W21 PolarHBondContact O-N 2.8Å
18A76.2Confident82.4Confident55 Ų5590.7 Ų90.746%0.45550%0.503SS..Hα-helixtrans-61.9-44.6175.100000111.4A14 A15 K20 W21 T22A14-A18 VanDerWaalsContact O-CB 3.31Å; A14-A18 WeakPolarHBondContact O-CB 3.41Å; A14-A18 PolarHBondContact O-N 3.37Å; A15-A18 PolarHBondContact O-N 3.32Å; A18-K20 PolarHBondContact O-N 2.86Å; A18-W21 PolarHBondContact O-N 2.96Å; A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 2.94Å; A18-T22 PolarHBondContact O-OG1 3.19Å
19M72.9Confident82.7Confident118 Ų11893.1 Ų93.158%0.58151%0.512SS*.Hα-helixtrans-61.7-41.2174.3-74-170.9-60.300112.4A15 Y16 W21 T22 A23A15-M19 WeakPolarHBondContact O-CB 3.41Å; A15-M19 VanDerWaalsContact O-CG 3.31Å; A15-M19 WeakPolarHBondContact O-CG 3.31Å; A15-M19 PolarHBondContact O-N 3.19Å; Y16-M19 PolarHBondContact O-N 3.42Å; M19-W21 VanDerWaalsContact C-N 3.32Å; M19-T22 PolarHBondContact O-N 2.92Å; M19-T22 PolarHBondContact O-OG1 3.41Å; M19-A23 VanDerWaalsContact O-CB 3.31Å; M19-A23 WeakPolarHBondContact O-CB 3.24Å; M19-A23 PolarHBondContact O-N 3.29Å
20K70.6Confident83.1Confident132 Ų13291.5 Ų91.557%0.57451%0.51SS*.Hα-helixtrans-65.3-35.6175.6-81.5-94.9175.1166.60112.5Y16 L17 A18Y16-K20 HydrophobicContact CE1-CG 4.14Å; Y16-K20 HydrophobicContact CE2-CG 4.29Å; Y16-K20 WeakPolarHBondContact O-CB 3.28Å; Y16-K20 WeakPolarHBondContact O-CG 3.25Å; Y16-K20 PolarHBondContact O-N 2.87Å; Y16-K20 WeakPolarHBondContact OH-CE 3.41Å; L17-K20 PolarHBondContact O-N 3.06Å; A18-K20 PolarHBondContact O-N 2.86Å
21W73.3Confident83.6Confident235 Ų23589.7 Ų89.789%0.8949%0.491SS*.Hα-helixtrans-72.4-38.2178.3-169.7-63.9000112L17 A18 M19L17-W21 WeakPolarHBondContact O-CB 3.31Å; L17-W21 PolarHBondContact O-N 2.8Å; A18-W21 PolarHBondContact O-N 2.96Å; M19-W21 VanDerWaalsContact C-N 3.32Å
22T73.4Confident84.2Confident112 Ų11292.5 Ų92.569%0.68750%0.495SS*.Hα-helixtrans-88-9179.158.70000113.5A18 M19A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 2.94Å; A18-T22 PolarHBondContact O-OG1 3.19Å; M19-T22 PolarHBondContact O-N 2.92Å; M19-T22 PolarHBondContact O-OG1 3.41Å
23A73.6Confident84.7Confident52 Ų5288.5 Ų88.543%0.4348%0.48SS..SBendtrans-59.5133.8175.300000110M19 S25M19-A23 VanDerWaalsContact O-CB 3.31Å; M19-A23 WeakPolarHBondContact O-CB 3.24Å; M19-A23 PolarHBondContact O-N 3.29Å; A23-S25 PolarHBondContact O-N 2.73Å
24P80Confident85.4Confident68 Ų6884.4 Ų84.444%0.44246%0.459SS..PPolyproline II helixtrans-56.4134177.7-25.934.4000111.9T250 Q252P24-T250 HydrophobicContact CB-CG2 3.75Å; P24-Q252 HydrophobicContact CG-CG 4.11Å
25S86.8Confident86.1Confident86 Ų8684 Ų8460%0.60145%0.446SS*.PPolyproline II helixtrans-80.3130.9173.554.80000110.6A23 H27A23-S25 PolarHBondContact O-N 2.73Å; S25-H27 PolarHBondContact OG-NE2 3.02Å
26F94Very high87Confident49 Ų4981.5 Ų81.522%0.21543%0.425CS..PPolyproline II helixtrans-90.2130172.5174.8-113.6000110.5P28 L31 F56 I246 A249 T250F26-P28 HydrophobicContact CD1-CG 4.43Å; F26-P28 HydrophobicContact CE1-CB 4.46Å; F26-P28 HydrophobicContact CE1-CG 3.88Å; F26-P28 HydrophobicContact CZ-CG 4.45Å; F26-L31 HydrophobicContact CE2-CD1 3.8Å; F26-L31 HydrophobicContact CE2-CG 4.33Å; F26-L31 HydrophobicContact CZ-CD1 3.89Å; F26-F56 HydrophobicContact CE1-CE2 4.32Å; F26-F56 HydrophobicContact CE1-CZ 4.03Å; F26-F56 HydrophobicContact CZ-CD2 4.32Å; F26-F56 AromaticContact CZ-CE2 3.88Å; F26-F56 HydrophobicContact CZ-CE2 3.88Å; F26-F56 HydrophobicContact CZ-CZ 4.03Å; F26-I246 HydrophobicContact CB-CG1 4.18Å; F26-I246 HydrophobicContact CB-CG2 4.06Å; F26-I246 HydrophobicContact CD1-CD1 4.12Å; F26-I246 HydrophobicContact CD1-CG1 3.66Å; F26-I246 HydrophobicContact CD2-CG1 4.14Å; F26-I246 HydrophobicContact CE1-CG1 4Å; F26-I246 HydrophobicContact CE2-CG1 4.47Å; F26-I246 HydrophobicContact CG-CB 4.45Å; F26-I246 HydrophobicContact CG-CD1 4.49Å; F26-I246 HydrophobicContact CG-CG1 3.72Å; F26-I246 HydrophobicContact CG-CG2 4.4Å; F26-I246 HydrophobicContact CZ-CG1 4.39Å; F26-A249 HydrophobicContact CD2-CB 3.91Å; F26-A249 HydrophobicContact CE2-CB 3.78Å; F26-T250 HydrophobicContact CB-CG2 4.14Å
27H93.9Very high88Confident117 Ų11775.9 Ų75.954%0.54240%0.403SS..  trans-121.2113.1174.9-60.5-72.2000108.5S25 E29 S30S25-H27 PolarHBondContact OG-NE2 3.02Å; H27-E29 PolarHBondContact O-N 3.23Å; H27-E29 VanDerWaalsContact O-N 3.09Å; H27-S30 WeakPolarHBondContact O-CB 3.35Å; H27-S30 PolarHBondContact O-N 3.47Å; H27-S30 PolarHBondContact O-OG 2.89Å
28P94.1Very high89Confident58 Ų5871.1 Ų71.138%0.37738%0.378SS..G310 helixtrans-50.9-35.7-178.8-31.937.1000114.7F26 S30 L31 F56F26-P28 HydrophobicContact CD1-CG 4.43Å; F26-P28 HydrophobicContact CE1-CB 4.46Å; F26-P28 HydrophobicContact CE1-CG 3.88Å; F26-P28 HydrophobicContact CZ-CG 4.45Å; P28-S30 PolarHBondContact O-N 2.93Å; P28-S30 VanDerWaalsContact O-N 3.16Å; P28-L31 PolarHBondContact O-N 2.89Å; P28-L31 VanDerWaalsContact O-N 3.1Å; P28-F56 HydrophobicContact CB-CD1 3.68Å; P28-F56 HydrophobicContact CB-CE1 3.9Å; P28-F56 HydrophobicContact CB-CG 4.44Å; P28-F56 HydrophobicContact CG-CD1 4.49Å; P28-F56 HydrophobicContact CG-CE1 4.22Å
29E94.3Very high90.1Very high137 Ų13768.5 Ų68.564%0.6436%0.356SS*.G310 helixtrans-61.4-20.9177.7-63.8-61.2148.900113.7H27 L31 K32H27-E29 PolarHBondContact O-N 3.23Å; H27-E29 VanDerWaalsContact O-N 3.09Å; E29-L31 PolarHBondContact O-N 3.43Å; E29-K32 WeakPolarHBondContact O-CB 3.18Å; E29-K32 PolarHBondContact O-N 3.11Å; E29-K32 VanDerWaalsContact O-N 3.17Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.94Å
30S95.8Very high91.3Very high68 Ų6863.7 Ų63.748%0.47634%0.337SS..G310 helixtrans-67.7-15.8176.1750000113.2H27 P28H27-S30 WeakPolarHBondContact O-CB 3.35Å; H27-S30 PolarHBondContact O-N 3.47Å; H27-S30 PolarHBondContact O-OG 2.89Å; P28-S30 PolarHBondContact O-N 2.93Å; P28-S30 VanDerWaalsContact O-N 3.16Å
31L98.3Very high92.6Very high0 Ų057.4 Ų57.40%031%0.31CS..G310 helixtrans-98.9-4.1176.8-65.4177.5000113F26 P28 E29 G33 A34 Y53 F56 Y114 I245 A249F26-L31 HydrophobicContact CE2-CD1 3.8Å; F26-L31 HydrophobicContact CE2-CG 4.33Å; F26-L31 HydrophobicContact CZ-CD1 3.89Å; P28-L31 PolarHBondContact O-N 2.89Å; P28-L31 VanDerWaalsContact O-N 3.1Å; E29-L31 PolarHBondContact O-N 3.43Å; L31-G33 PolarHBondContact O-N 2.76Å; L31-A34 HydrophobicContact CD2-CB 4.48Å; L31-A34 VanDerWaalsContact O-CB 3.26Å; L31-A34 WeakPolarHBondContact O-CB 3.32Å; L31-A34 PolarHBondContact O-N 3.06Å; L31-A34 VanDerWaalsContact O-N 3.1Å; L31-Y53 HydrophobicContact CD1-CD1 4.06Å; L31-Y53 HydrophobicContact CD1-CE1 3.92Å; L31-Y53 HydrophobicContact CD2-CE1 4.05Å; L31-F56 HydrophobicContact CB-CB 3.87Å; L31-F56 HydrophobicContact CD1-CB 4.41Å; L31-F56 HydrophobicContact CD1-CD2 3.53Å; L31-F56 HydrophobicContact CD1-CE2 4.15Å; L31-F56 HydrophobicContact CD1-CG 4.27Å; L31-Y114 HydrophobicContact CD2-CD2 4.43Å; L31-Y114 HydrophobicContact CD2-CE1 4.21Å; L31-Y114 HydrophobicContact CD2-CE2 3.64Å; L31-Y114 WeakPolarHBondContact CD2-OH 3.23Å; L31-I245 HydrophobicContact CD1-CG2 3.41Å; L31-I245 VanDerWaalsContact CD1-CG2 3.41Å; L31-A249 HydrophobicContact CD1-CB 4.45Å; L31-A249 HydrophobicContact CD2-CB 4.11Å; L31-A249 HydrophobicContact CG-CB 4.43Å
32K98.5Very high93.7Very high128 Ų12847 Ų4756%0.55727%0.273SS*.THydrogen-bonded Turntrans-65.9121.5178.4-173172.8-178.7175.10110.2E29 A34 F56E29-K32 WeakPolarHBondContact O-CB 3.18Å; E29-K32 PolarHBondContact O-N 3.11Å; E29-K32 VanDerWaalsContact O-N 3.17Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.94Å; K32-A34 PolarHBondContact O-N 2.96Å; K32-F56 VanDerWaalsContact CA-O 3.28Å; K32-F56 WeakPolarHBondContact CA-O 3.33Å; K32-F56 PolarHBondContact N-O 2.85Å
33G98.6Very high94.8Very high21 Ų2144.4 Ų44.422%0.21626%0.259CS..THydrogen-bonded Turntrans77.3-3.1-177.400000114.6L31 G57 Q59L31-G33 PolarHBondContact O-N 2.76Å; G33-G57 PolarHBondContact N-O 2.85Å; G33-Q59 PolarHBondContact O-NE2 2.9Å
34A98.8Very high96Very high8 Ų842.8 Ų42.87%0.06625%0.247CC..  trans-61.5141.7177.900000111.3L31 K32 V36 Q59 Y114L31-A34 HydrophobicContact CD2-CB 4.48Å; L31-A34 VanDerWaalsContact O-CB 3.26Å; L31-A34 WeakPolarHBondContact O-CB 3.32Å; L31-A34 PolarHBondContact O-N 3.06Å; L31-A34 VanDerWaalsContact O-N 3.1Å; K32-A34 PolarHBondContact O-N 2.96Å; A34-V36 HydrophobicContact CB-CG2 4.35Å; A34-Q59 PolarHBondContact O-N 2.89Å; A34-Q59 VanDerWaalsContact O-O 3.09Å; A34-Y114 HydrophobicContact CB-CD2 4.09Å; A34-Y114 HydrophobicContact CB-CE2 3.84Å
35R98.9Very high96.9Very high49 Ų4940.5 Ų40.519%0.18523%0.231CC..EExtended strand (participates in β ladder)trans-95109.2-177.4-58.3164.5-62.8170.66.1109.1Q59 L109 G110 G111 D113 Y114R35-Q59 WeakPolarHBondContact CA-O 3.28Å; R35-L109 HydrophobicContact CB-CB 3.97Å; R35-L109 HydrophobicContact CB-CD1 4.01Å; R35-L109 WeakPolarHBondContact CD-O 3.37Å; R35-L109 HydrophobicContact CG-CB 4Å; R35-G110 PolarHBondContact NH1-O 2.99Å; R35-G111 WeakPolarHBondContact CB-O 3.24Å; R35-G111 WeakPolarHBondContact CD-O 3.29Å; R35-D113 WeakPolarHBondContact CB-OD2 3.38Å; R35-D113 WeakPolarHBondContact CG-OD2 3.48Å; R35-D113 IonicContact CZ-OD1 3.52Å; R35-D113 IonicContact CZ-OD2 3.71Å; R35-D113 PolarHBondContact N-OD2 2.75Å; R35-D113 IonicContact NE-OD1 3.49Å; R35-D113 PolarHBondContact NE-OD1 3.19Å; R35-D113 IonicContact NE-OD2 2.9Å; R35-D113 PolarHBondContact NE-OD2 3.28Å; R35-D113 IonicContact NH2-OD1 2.72Å; R35-D113 PolarHBondContact NH2-OD1 3.33Å; R35-D113 IonicContact NH2-OD2 3.67Å; R35-D113 PolarHBondContact O-N 3.41Å; R35-Y114 PolarHBondContact O-N 2.9Å
36V98.9Very high97.4Very high0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-121.3129.9-168.3-173.70000110.5A34 V38 Y53 A58 Q59 I60 V61 Y114 V116A34-V36 HydrophobicContact CB-CG2 4.35Å; V36-V38 HydrophobicContact CG1-CG2 3.69Å; V36-Y53 HydrophobicContact CG1-CD1 4.26Å; V36-Y53 HydrophobicContact CG1-CD2 3.8Å; V36-Y53 HydrophobicContact CG1-CE1 4.09Å; V36-Y53 HydrophobicContact CG1-CE2 3.62Å; V36-Y53 HydrophobicContact CG1-CG 4.12Å; V36-Y53 HydrophobicContact CG2-CD1 3.81Å; V36-Y53 HydrophobicContact CG2-CE1 3.87Å; V36-Y53 HydrophobicContact CG2-CG 4.27Å; V36-A58 HydrophobicContact CG2-CB 4.08Å; V36-Q59 PolarHBondContact N-O 3.01Å; V36-I60 CarbonylContact O-C 3.53Å; V36-I60 WeakPolarHBondContact O-CA 3.34Å; V36-V61 PolarHBondContact O-N 2.72Å; V36-Y114 WeakPolarHBondContact CA-O 3.38Å; V36-Y114 HydrophobicContact CG2-CD2 4.01Å; V36-Y114 HydrophobicContact CG2-CG 4.36Å; V36-V116 HydrophobicContact CG1-CG2 4.31Å
37L98.9Very high97.6Very high0 Ų036.2 Ų36.20%020%0.203CC..EExtended strand (participates in β ladder)trans-108117.2168.2176.254000109.7V61 V101 V102 A105 L112 Y114 L115 V116 M149L37-V61 WeakPolarHBondContact CA-O 3.44Å; L37-V61 HydrophobicContact CD1-CB 4Å; L37-V61 HydrophobicContact CD1-CG1 3.67Å; L37-V61 WeakPolarHBondContact CD1-O 3.42Å; L37-V101 HydrophobicContact CD1-CG1 3.99Å; L37-V101 HydrophobicContact CD2-CG1 4.13Å; L37-V102 HydrophobicContact CD2-CG2 4.14Å; L37-A105 HydrophobicContact CB-CB 4.27Å; L37-A105 HydrophobicContact CD1-CB 4.2Å; L37-A105 HydrophobicContact CD2-CB 3.84Å; L37-A105 HydrophobicContact CG-CB 4.34Å; L37-L112 HydrophobicContact CB-CD1 3.8Å; L37-L112 HydrophobicContact CB-CD2 4.35Å; L37-Y114 PolarHBondContact N-O 3.41Å; L37-L115 HydrophobicContact CB-CD1 4.09Å; L37-L115 HydrophobicContact CD2-CD1 3.72Å; L37-L115 HydrophobicContact CG-CD1 3.9Å; L37-V116 PolarHBondContact O-N 3.25Å; L37-M149 HydrophobicContact CD2-CE 3.91Å
38V98.9Very high97.9Very high0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-113.2122.3177.3-170.80000110.9V36 A41 M49 Y53 I60 V61 I62 T63 V116V36-V38 HydrophobicContact CG1-CG2 3.69Å; V38-A41 HydrophobicContact CB-CB 4.42Å; V38-A41 HydrophobicContact CG1-CB 4.13Å; V38-M49 HydrophobicContact CG1-CB 4.36Å; V38-M49 HydrophobicContact CG1-CE 4.01Å; V38-Y53 HydrophobicContact CG2-CD2 4.07Å; V38-Y53 HydrophobicContact CG2-CE2 4.16Å; V38-I60 HydrophobicContact CG2-CG2 4.35Å; V38-V61 PolarHBondContact N-O 3.49Å; V38-I62 HydrophobicContact CB-CG2 4.37Å; V38-I62 WeakPolarHBondContact O-CA 3.39Å; V38-T63 PolarHBondContact O-N 2.96Å; V38-V116 HydrophobicContact CG1-CB 4.38Å; V38-V116 HydrophobicContact CG1-CG1 4.41Å; V38-V116 HydrophobicContact CG2-CB 4.31Å; V38-V116 HydrophobicContact CG2-CG2 4.37Å
39T98.9Very high98.1Very high0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-95.5150.4177.565.50000112.5A41 T63 V116 L117 N118 H119 M149T39-A41 VanDerWaalsContact C-N 3.33Å; T39-T63 HydrophobicContact CG2-CG2 3.73Å; T39-V116 PolarHBondContact N-O 2.86Å; T39-V116 PolarHBondContact OG1-O 3.45Å; T39-L117 HydrophobicContact CG2-CD2 4.29Å; T39-L117 WeakPolarHBondContact OG1-CA 3.16Å; T39-N118 WeakPolarHBondContact O-CB 3.31Å; T39-N118 PolarHBondContact O-ND2 2.91Å; T39-N118 PolarHBondContact OG1-N 3.32Å; T39-H119 WeakPolarHBondContact CB-ND1 3.25Å; T39-H119 PolarHBondContact OG1-N 3.5Å; T39-H119 PolarHBondContact OG1-ND1 2.98Å; T39-M149 HydrophobicContact CG2-CE 3.64Å; T39-M149 HydrophobicContact CG2-SD 3.82Å
40G98.4Very high98.3Very high18 Ų1823.5 Ų23.519%0.18614%0.138CC..SBendtrans67.934.7-179.600000112.5T63 N118G40-T63 PolarHBondContact N-O 2.89Å; G40-N118 PolarHBondContact O-ND2 2.88Å
41A98.4Very high98.5Very high0 Ų021.6 Ų21.60%012%0.121CC..THydrogen-bonded Turntrans-93.911.3-167.800000114.9V38 T39 S43 E47 I62 T63V38-A41 HydrophobicContact CB-CB 4.42Å; V38-A41 HydrophobicContact CG1-CB 4.13Å; T39-A41 VanDerWaalsContact C-N 3.33Å; A41-S43 VanDerWaalsContact C-N 3.3Å; A41-S43 PolarHBondContact O-N 2.97Å; A41-E47 WeakPolarHBondContact O-CA 3.46Å; A41-I62 HydrophobicContact CB-CB 3.78Å; A41-I62 HydrophobicContact CB-CG2 3.83Å; A41-T63 PolarHBondContact N-O 3.11Å; A41-T63 VanDerWaalsContact N-O 3.16Å
42S97.1Very high98.5Very high16 Ų1622.5 Ų22.511%0.11213%0.125CC..THydrogen-bonded Turntrans-82-3.2178.865.40000114.7A64 R66 V69S42-A64 WeakPolarHBondContact OG-CB 3.3Å; S42-R66 PolarHBondContact O-NH2 3.31Å; S42-R66 PolarHBondContact OG-NH2 3.14Å; S42-V69 WeakPolarHBondContact O-CG1 3.45Å
43S96.7Very high98.5Very high58 Ų5816.4 Ų16.441%0.40610%0.099SC..SBendtrans-172.3164.8-179.250.70000110.9A41 E47A41-S43 VanDerWaalsContact C-N 3.3Å; A41-S43 PolarHBondContact O-N 2.97Å; S43-E47 PolarHBondContact O-N 3.22Å
44G97.3Very high98.5Very high17 Ų1715.4 Ų15.418%0.1759%0.088CC..Hα-helixtrans61.6-139.9167.300000112.9G46 E47 Q48G44-G46 VanDerWaalsContact C-N 3.33Å; G44-G46 PolarHBondContact O-N 3.11Å; G44-E47 PolarHBondContact O-N 2.76Å; G44-Q48 WeakPolarHBondContact O-CG 3.46Å; G44-Q48 PolarHBondContact O-N 3.25Å
45I98.5Very high98.5Very high21 Ų2120.6 Ų20.611%0.10811%0.106CC..Hα-helixtrans-59.8-42.3-174-55.3170.8000111.7E47 Q48 M49 L214 I217 T219 A237 A241 I244I45-E47 PolarHBondContact O-N 2.84Å; I45-Q48 PolarHBondContact O-N 2.91Å; I45-M49 HydrophobicContact CG2-CE 4.11Å; I45-M49 HydrophobicContact CG2-CG 4.32Å; I45-M49 HydrophobicContact CG2-SD 4.38Å; I45-M49 WeakPolarHBondContact O-CG 3.45Å; I45-M49 PolarHBondContact O-N 2.7Å; I45-L214 HydrophobicContact CD1-CD1 3.61Å; I45-I217 HydrophobicContact CD1-CB 4.04Å; I45-I217 HydrophobicContact CD1-CG1 3.93Å; I45-I217 HydrophobicContact CD1-CG2 3.91Å; I45-I217 HydrophobicContact CG1-CG2 3.89Å; I45-T219 HydrophobicContact CG1-CG2 3.89Å; I45-A237 HydrophobicContact CG1-CB 4.4Å; I45-A241 HydrophobicContact CG2-CB 4.24Å; I45-I244 HydrophobicContact CG2-CD1 3.57Å
46G98.7Very high98.5Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-62.9-40.9-179.100000113.1G44 M49 A50 N118G44-G46 VanDerWaalsContact C-N 3.33Å; G44-G46 PolarHBondContact O-N 3.11Å; G46-M49 PolarHBondContact O-N 2.96Å; G46-A50 PolarHBondContact O-N 3.3Å; G46-A50 VanDerWaalsContact O-N 3.08Å; G46-N118 WeakPolarHBondContact CA-ND2 3.32Å
47E98.8Very high98.5Very high45 Ų4520.4 Ų20.421%0.2111%0.109CC..Hα-helixtrans-64.5-47.4174176.5-174.6-155.400111.1A41 S43 G44 I45 M49 A50 Y51 V73A41-E47 WeakPolarHBondContact O-CA 3.46Å; S43-E47 PolarHBondContact O-N 3.22Å; G44-E47 PolarHBondContact O-N 2.76Å; I45-E47 PolarHBondContact O-N 2.84Å; E47-M49 VanDerWaalsContact C-N 3.29Å; E47-M49 PolarHBondContact O-N 2.65Å; E47-A50 WeakPolarHBondContact O-CB 3.4Å; E47-A50 PolarHBondContact O-N 3.12Å; E47-A50 VanDerWaalsContact O-N 3.12Å; E47-Y51 HydrophobicContact CG-CD2 4.1Å; E47-Y51 HydrophobicContact CG-CE1 4.25Å; E47-Y51 HydrophobicContact CG-CE2 3.41Å; E47-Y51 VanDerWaalsContact CG-CE2 3.41Å; E47-Y51 VanDerWaalsContact CG-CZ 3.48Å; E47-Y51 PolarHBondContact O-N 3.07Å; E47-Y51 WeakPolarHBondContact OE1-CE2 3.31Å; E47-Y51 PolarHBondContact OE1-OH 3.04Å; E47-V73 HydrophobicContact CG-CG1 4.33Å; E47-V73 HydrophobicContact CG-CG2 4.05Å
48Q98.8Very high98.5Very high45 Ų4520.4 Ų20.421%0.2111%0.109CC..Hα-helixtrans-62.8-35.8178.2-64.9-55.1-46.900112.2G44 I45 Y51 H52 A237 A241G44-Q48 WeakPolarHBondContact O-CG 3.46Å; G44-Q48 PolarHBondContact O-N 3.25Å; I45-Q48 PolarHBondContact O-N 2.91Å; Q48-Y51 PolarHBondContact O-N 2.94Å; Q48-H52 PolarHBondContact O-CD2 3.22Å; Q48-H52 VanDerWaalsContact O-CD2 3.26Å; Q48-H52 PolarHBondContact O-N 2.79Å; Q48-A237 HydrophobicContact CG-CB 4.39Å; Q48-A241 HydrophobicContact CB-CB 3.6Å
49M98.9Very high98.5Very high0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-62.8-45.3172.8-75.2-171.3-64.100111.2V38 I45 G46 E47 Y51 H52 Y53 V116 N118 V167 A241 I244 I245V38-M49 HydrophobicContact CG1-CB 4.36Å; V38-M49 HydrophobicContact CG1-CE 4.01Å; I45-M49 HydrophobicContact CG2-CE 4.11Å; I45-M49 HydrophobicContact CG2-CG 4.32Å; I45-M49 HydrophobicContact CG2-SD 4.38Å; I45-M49 WeakPolarHBondContact O-CG 3.45Å; I45-M49 PolarHBondContact O-N 2.7Å; G46-M49 PolarHBondContact O-N 2.96Å; E47-M49 VanDerWaalsContact C-N 3.29Å; E47-M49 PolarHBondContact O-N 2.65Å; M49-Y51 VanDerWaalsContact C-N 3.29Å; M49-Y51 PolarHBondContact O-N 3.31Å; M49-H52 PolarHBondContact O-N 3.06Å; M49-Y53 WeakPolarHBondContact O-CD2 3.18Å; M49-Y53 PolarHBondContact O-N 3.44Å; M49-V116 HydrophobicContact CE-CG1 3.66Å; M49-V116 HydrophobicContact SD-CG1 3.76Å; M49-N118 HydrophobicContact CE-CB 3.66Å; M49-V167 HydrophobicContact CE-CG2 4.49Å; M49-A241 HydrophobicContact CB-CB 4.34Å; M49-A241 HydrophobicContact CG-CB 3.51Å; M49-I244 HydrophobicContact SD-CB 3.99Å; M49-I244 HydrophobicContact SD-CD1 4.05Å; M49-I244 HydrophobicContact SD-CG2 3.52Å; M49-I244 VanDerWaalsContact SD-CG2 3.52Å; M49-I245 HydrophobicContact CB-CD1 4.25Å; M49-I245 HydrophobicContact CG-CD1 4.33Å; M49-I245 HydrophobicContact CG-CG1 4.31Å
50A98.9Very high98.5Very high0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-58.2-42.8176.100000111.5G46 E47 A54 I60 I62 V73G46-A50 PolarHBondContact O-N 3.3Å; G46-A50 VanDerWaalsContact O-N 3.08Å; E47-A50 WeakPolarHBondContact O-CB 3.4Å; E47-A50 PolarHBondContact O-N 3.12Å; E47-A50 VanDerWaalsContact O-N 3.12Å; A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.36Å; A50-A54 PolarHBondContact O-N 2.86Å; A50-I60 WeakPolarHBondContact O-CD1 3.26Å; A50-I62 HydrophobicContact CB-CG2 3.84Å; A50-V73 HydrophobicContact CB-CG1 4.19Å
51Y98.9Very high98.5Very high28 Ų2821.8 Ų21.811%0.1111%0.111CC..Hα-helixtrans-65.6-38.4176.5-64.6-19.2000113.7E47 Q48 M49 A54 R55 V73 K76 L80E47-Y51 HydrophobicContact CG-CD2 4.1Å; E47-Y51 HydrophobicContact CG-CE1 4.25Å; E47-Y51 HydrophobicContact CG-CE2 3.41Å; E47-Y51 VanDerWaalsContact CG-CE2 3.41Å; E47-Y51 VanDerWaalsContact CG-CZ 3.48Å; E47-Y51 PolarHBondContact O-N 3.07Å; E47-Y51 WeakPolarHBondContact OE1-CE2 3.31Å; E47-Y51 PolarHBondContact OE1-OH 3.04Å; Q48-Y51 PolarHBondContact O-N 2.94Å; M49-Y51 VanDerWaalsContact C-N 3.29Å; M49-Y51 PolarHBondContact O-N 3.31Å; Y51-A54 WeakPolarHBondContact O-CB 3.47Å; Y51-A54 PolarHBondContact O-N 3.43Å; Y51-R55 WeakPolarHBondContact O-CG 3.28Å; Y51-R55 PolarHBondContact O-N 3.1Å; Y51-R55 VanDerWaalsContact O-N 3.07Å; Y51-V73 HydrophobicContact CE1-CB 4.46Å; Y51-V73 HydrophobicContact CE1-CG1 3.79Å; Y51-K76 HydrophobicContact CD1-CB 4.5Å; Y51-K76 HydrophobicContact CD1-CG 4.04Å; Y51-K76 HydrophobicContact CE1-CB 3.66Å; Y51-K76 HydrophobicContact CE1-CG 3.44Å; Y51-K76 VanDerWaalsContact CE1-CG 3.44Å; Y51-K76 HydrophobicContact CE2-CG 4.46Å; Y51-L80 HydrophobicContact CD1-CD1 3.71Å; Y51-L80 HydrophobicContact CG-CD1 3.75Å
52H98.9Very high98.6Very high19 Ų1921.9 Ų21.99%0.08811%0.112CC..Hα-helixtrans-68.7-47.7175.3-78.7-52.6000112.1Q48 M49 A54 R55 F56 T238 I245Q48-H52 PolarHBondContact O-CD2 3.22Å; Q48-H52 VanDerWaalsContact O-CD2 3.26Å; Q48-H52 PolarHBondContact O-N 2.79Å; M49-H52 PolarHBondContact O-N 3.06Å; H52-A54 PolarHBondContact O-N 3.24Å; H52-R55 PolarHBondContact ND1-NH1 3.07Å; H52-R55 PolarHBondContact O-N 2.98Å; H52-R55 VanDerWaalsContact O-N 3.12Å; H52-F56 HydrophobicContact CB-CE2 4.11Å; H52-F56 WeakPolarHBondContact O-CD2 3.4Å; H52-F56 VanDerWaalsContact O-CG 3.28Å; H52-F56 WeakPolarHBondContact O-CG 3.44Å; H52-F56 PolarHBondContact O-N 2.94Å; H52-T238 PolarHBondContact NE2-O 3.49Å; H52-T238 PolarHBondContact NE2-OG1 2.9Å; H52-I245 HydrophobicContact CB-CD1 3.42Å; H52-I245 VanDerWaalsContact CB-CD1 3.42Å
53Y98.9Very high98.6Very high0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-55.5-37.6173.1-81.3-61.8000111.8L31 V36 V38 M49 F56 G57 A58 V116 I245L31-Y53 HydrophobicContact CD1-CD1 4.06Å; L31-Y53 HydrophobicContact CD1-CE1 3.92Å; L31-Y53 HydrophobicContact CD2-CE1 4.05Å; V36-Y53 HydrophobicContact CG1-CD1 4.26Å; V36-Y53 HydrophobicContact CG1-CD2 3.8Å; V36-Y53 HydrophobicContact CG1-CE1 4.09Å; V36-Y53 HydrophobicContact CG1-CE2 3.62Å; V36-Y53 HydrophobicContact CG1-CG 4.12Å; V36-Y53 HydrophobicContact CG2-CD1 3.81Å; V36-Y53 HydrophobicContact CG2-CE1 3.87Å; V36-Y53 HydrophobicContact CG2-CG 4.27Å; V38-Y53 HydrophobicContact CG2-CD2 4.07Å; V38-Y53 HydrophobicContact CG2-CE2 4.16Å; M49-Y53 WeakPolarHBondContact O-CD2 3.18Å; M49-Y53 PolarHBondContact O-N 3.44Å; Y53-F56 PolarHBondContact O-N 2.84Å; Y53-G57 PolarHBondContact O-N 2.77Å; Y53-A58 HydrophobicContact CD1-CB 4.34Å; Y53-A58 VanDerWaalsContact O-CB 3.25Å; Y53-A58 WeakPolarHBondContact O-CB 3.25Å; Y53-A58 PolarHBondContact O-N 2.91Å; Y53-V116 HydrophobicContact CE2-CG2 4.12Å; Y53-I245 HydrophobicContact CD1-CD1 4.45Å; Y53-I245 HydrophobicContact CD1-CG2 4.35Å; Y53-I245 HydrophobicContact CD2-CD1 3.74Å; Y53-I245 HydrophobicContact CD2-CG1 4.08Å; Y53-I245 HydrophobicContact CE1-CD1 4.49Å; Y53-I245 HydrophobicContact CE1-CG1 4.24Å; Y53-I245 HydrophobicContact CE1-CG2 3.82Å; Y53-I245 HydrophobicContact CE2-CD1 3.78Å; Y53-I245 HydrophobicContact CE2-CG1 3.56Å; Y53-I245 HydrophobicContact CG-CD1 4.09Å
54A98.8Very high98.7Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-64.1-46.3177.200000112.1A50 Y51 H52 F56 G57 I60 C77 L80 G81 A82A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.36Å; A50-A54 PolarHBondContact O-N 2.86Å; Y51-A54 WeakPolarHBondContact O-CB 3.47Å; Y51-A54 PolarHBondContact O-N 3.43Å; H52-A54 PolarHBondContact O-N 3.24Å; A54-F56 PolarHBondContact O-N 3.33Å; A54-G57 PolarHBondContact O-N 3.17Å; A54-I60 HydrophobicContact CB-CD1 3.96Å; A54-C77 HydrophobicContact CB-CB 3.79Å; A54-C77 WeakPolarHBondContact CB-O 3.43Å; A54-L80 HydrophobicContact CB-CB 3.97Å; A54-G81 CarbonylContact O-C 3.51Å; A54-A82 HydrophobicContact CB-CB 3.8Å; A54-A82 PolarHBondContact O-N 2.92Å; A54-A82 VanDerWaalsContact O-N 3.11Å
55R98.8Very high98.8Very high117 Ų11725 Ų2544%0.44211%0.11SC..Hα-helixtrans-61.4-27.8175.4-69.5174.6-170.4116.92.4113Y51 H52 L80Y51-R55 WeakPolarHBondContact O-CG 3.28Å; Y51-R55 PolarHBondContact O-N 3.1Å; Y51-R55 VanDerWaalsContact O-N 3.07Å; H52-R55 PolarHBondContact ND1-NH1 3.07Å; H52-R55 PolarHBondContact O-N 2.98Å; H52-R55 VanDerWaalsContact O-N 3.12Å; R55-L80 WeakPolarHBondContact CA-O 3.36Å; R55-L80 HydrophobicContact CG-CB 4.17Å; R55-L80 HydrophobicContact CG-CD2 4.37Å
56F98.7Very high98.8Very high34 Ų3429.9 Ų29.915%0.14913%0.127CC..THydrogen-bonded Turntrans-83.72.4174.4-54.2-36.8000113.5F26 P28 L31 K32 H52 Y53 A54 L242 I245F26-F56 HydrophobicContact CE1-CE2 4.32Å; F26-F56 HydrophobicContact CE1-CZ 4.03Å; F26-F56 HydrophobicContact CZ-CD2 4.32Å; F26-F56 AromaticContact CZ-CE2 3.88Å; F26-F56 HydrophobicContact CZ-CE2 3.88Å; F26-F56 HydrophobicContact CZ-CZ 4.03Å; P28-F56 HydrophobicContact CB-CD1 3.68Å; P28-F56 HydrophobicContact CB-CE1 3.9Å; P28-F56 HydrophobicContact CB-CG 4.44Å; P28-F56 HydrophobicContact CG-CD1 4.49Å; P28-F56 HydrophobicContact CG-CE1 4.22Å; L31-F56 HydrophobicContact CB-CB 3.87Å; L31-F56 HydrophobicContact CD1-CB 4.41Å; L31-F56 HydrophobicContact CD1-CD2 3.53Å; L31-F56 HydrophobicContact CD1-CE2 4.15Å; L31-F56 HydrophobicContact CD1-CG 4.27Å; K32-F56 VanDerWaalsContact CA-O 3.28Å; K32-F56 WeakPolarHBondContact CA-O 3.33Å; K32-F56 PolarHBondContact N-O 2.85Å; H52-F56 HydrophobicContact CB-CE2 4.11Å; H52-F56 WeakPolarHBondContact O-CD2 3.4Å; H52-F56 VanDerWaalsContact O-CG 3.28Å; H52-F56 WeakPolarHBondContact O-CG 3.44Å; H52-F56 PolarHBondContact O-N 2.94Å; Y53-F56 PolarHBondContact O-N 2.84Å; A54-F56 PolarHBondContact O-N 3.33Å; F56-L242 HydrophobicContact CE2-CD1 4.16Å; F56-L242 HydrophobicContact CZ-CD1 3.79Å; F56-I245 HydrophobicContact CD2-CG2 4.41Å; F56-I245 HydrophobicContact CE2-CG2 4.09Å
57G98.7Very high98.8Very high10 Ų1034.9 Ų34.910%0.10315%0.15CC..THydrogen-bonded Turntrans75.126.7176.500000114.1G33 Y53 A54 G81 Q83G33-G57 PolarHBondContact N-O 2.85Å; Y53-G57 PolarHBondContact O-N 2.77Å; A54-G57 PolarHBondContact O-N 3.17Å; G57-G81 WeakPolarHBondContact CA-O 3.48Å; G57-Q83 VanDerWaalsContact O-CD 3.32Å; G57-Q83 VanDerWaalsContact O-CG 3.28Å; G57-Q83 WeakPolarHBondContact O-CG 3.12Å; G57-Q83 PolarHBondContact O-NE2 3.16Å
58A98.9Very high98.8Very high0 Ų040.7 Ų40.70%018%0.175CC..  trans-71.6165.6176.300000112.5V36 Y53 I60 A82 Q83V36-A58 HydrophobicContact CG2-CB 4.08Å; Y53-A58 HydrophobicContact CD1-CB 4.34Å; Y53-A58 VanDerWaalsContact O-CB 3.25Å; Y53-A58 WeakPolarHBondContact O-CB 3.25Å; Y53-A58 PolarHBondContact O-N 2.91Å; A58-I60 HydrophobicContact CB-CD1 4.35Å; A58-I60 HydrophobicContact CB-CG1 3.91Å; A58-A82 WeakPolarHBondContact O-CA 3.41Å; A58-Q83 PolarHBondContact O-N 3.23Å
59Q98.9Very high98.7Very high46 Ų4640 Ų4022%0.21517%0.174CC..EExtended strand (participates in β ladder)trans-101.2119.6164.2-60.6-176.963.400108.7G33 A34 R35 V36 Q83 K84 L109G33-Q59 PolarHBondContact O-NE2 2.9Å; A34-Q59 PolarHBondContact O-N 2.89Å; A34-Q59 VanDerWaalsContact O-O 3.09Å; R35-Q59 WeakPolarHBondContact CA-O 3.28Å; V36-Q59 PolarHBondContact N-O 3.01Å; Q59-Q83 HydrophobicContact CG-CB 3.89Å; Q59-K84 CarbonylContact C-O 3.07Å; Q59-K84 WeakPolarHBondContact CA-O 3.28Å; Q59-K84 HydrophobicContact CB-CB 3.89Å; Q59-K84 HydrophobicContact CG-CB 3.89Å; Q59-L109 HydrophobicContact CB-CD2 3.87Å
60I98.8Very high98.7Very high1 Ų140 Ų401%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-125.2132.8-163.6-45.3169.1000110.3V36 V38 A50 A54 A58 I62 A82 K84 A85 L86V36-I60 CarbonylContact O-C 3.53Å; V36-I60 WeakPolarHBondContact O-CA 3.34Å; V38-I60 HydrophobicContact CG2-CG2 4.35Å; A50-I60 WeakPolarHBondContact O-CD1 3.26Å; A54-I60 HydrophobicContact CB-CD1 3.96Å; A58-I60 HydrophobicContact CB-CD1 4.35Å; A58-I60 HydrophobicContact CB-CG1 3.91Å; I60-I62 HydrophobicContact CG2-CG2 3.79Å; I60-A82 HydrophobicContact CD1-CB 4.3Å; I60-K84 PolarHBondContact N-O 2.89Å; I60-A85 CarbonylContact O-C 3.5Å; I60-A85 WeakPolarHBondContact O-CA 3.47Å; I60-L86 PolarHBondContact O-N 3.16Å
61V98.9Very high98.7Very high0 Ų043.9 Ų43.90%019%0.192CC..EExtended strand (participates in β ladder)trans-108.8130.8160.71720000108V36 L37 V38 L86 I88 F104 A105 L109V36-V61 PolarHBondContact O-N 2.72Å; L37-V61 WeakPolarHBondContact CA-O 3.44Å; L37-V61 HydrophobicContact CD1-CB 4Å; L37-V61 HydrophobicContact CD1-CG1 3.67Å; L37-V61 WeakPolarHBondContact CD1-O 3.42Å; V38-V61 PolarHBondContact N-O 3.49Å; V61-L86 CarbonylContact C-O 3.57Å; V61-L86 WeakPolarHBondContact CA-O 3.45Å; V61-L86 HydrophobicContact CG2-CB 4.07Å; V61-L86 HydrophobicContact CG2-CD1 4.5Å; V61-I88 HydrophobicContact CG1-CG2 4.19Å; V61-F104 HydrophobicContact CG1-CD1 3.93Å; V61-F104 HydrophobicContact CG1-CE1 4.1Å; V61-F104 HydrophobicContact CG2-CD1 4.47Å; V61-F104 HydrophobicContact CG2-CE1 4.36Å; V61-A105 HydrophobicContact CB-CB 4.14Å; V61-A105 HydrophobicContact CG1-CB 4.2Å; V61-A105 HydrophobicContact CG2-CB 4.2Å; V61-L109 HydrophobicContact CB-CD1 4.32Å; V61-L109 HydrophobicContact CG2-CD1 3.76Å; V61-L109 HydrophobicContact CG2-CD2 4.03Å; V61-L109 HydrophobicContact CG2-CG 3.81Å
62I98.9Very high98.7Very high3 Ų348.3 Ų48.32%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-116.8146.1176.658.5171.5000111.7V38 A41 A50 I60 L70 V73 A74 L86 Y87 I88V38-I62 HydrophobicContact CB-CG2 4.37Å; V38-I62 WeakPolarHBondContact O-CA 3.39Å; A41-I62 HydrophobicContact CB-CB 3.78Å; A41-I62 HydrophobicContact CB-CG2 3.83Å; A50-I62 HydrophobicContact CB-CG2 3.84Å; I60-I62 HydrophobicContact CG2-CG2 3.79Å; I62-L70 HydrophobicContact CB-CD2 4.37Å; I62-L70 HydrophobicContact CD1-CD2 3.94Å; I62-L70 HydrophobicContact CG1-CD2 4.03Å; I62-V73 HydrophobicContact CD1-CB 3.68Å; I62-V73 HydrophobicContact CD1-CG1 3.5Å; I62-V73 VanDerWaalsContact CD1-CG1 3.5Å; I62-A74 HydrophobicContact CD1-CB 4.21Å; I62-L86 WeakPolarHBondContact CG1-O 3.49Å; I62-L86 PolarHBondContact N-O 2.85Å; I62-Y87 VanDerWaalsContact O-CA 3.24Å; I62-Y87 WeakPolarHBondContact O-CA 3.21Å; I62-I88 PolarHBondContact O-N 3.4Å
63T98.9Very high98.7Very high0 Ų047.5 Ų47.50%021%0.21CC..EExtended strand (participates in β ladder)trans-137.7146.8175.9-170.40000112.9V38 T39 G40 A41 I88 M92 V101V38-T63 PolarHBondContact O-N 2.96Å; T39-T63 HydrophobicContact CG2-CG2 3.73Å; G40-T63 PolarHBondContact N-O 2.89Å; A41-T63 PolarHBondContact N-O 3.11Å; A41-T63 VanDerWaalsContact N-O 3.16Å; T63-I88 WeakPolarHBondContact CA-O 3.35Å; T63-I88 VanDerWaalsContact CB-O 3.31Å; T63-I88 WeakPolarHBondContact CB-O 3.36Å; T63-I88 PolarHBondContact OG1-O 2.98Å; T63-M92 HydrophobicContact CG2-CE 3.7Å; T63-V101 HydrophobicContact CG2-CG1 3.76Å
64A98.8Very high98.7Very high14 Ų1447.7 Ų47.712%0.11621%0.212CC..EExtended strand (participates in β ladder)trans-170.1-175.3171.200000107.8S42 L70 P89 A90S42-A64 WeakPolarHBondContact OG-CB 3.3Å; A64-L70 HydrophobicContact CB-CD1 4.23Å; A64-L70 HydrophobicContact CB-CD2 3.79Å; A64-L70 HydrophobicContact CB-CG 4.14Å; A64-L70 WeakPolarHBondContact O-CD1 3.25Å; A64-P89 VanDerWaalsContact O-CA 3.25Å; A64-P89 WeakPolarHBondContact O-CA 3.44Å; A64-A90 CarbonylContact C-O 3.59Å; A64-A90 PolarHBondContact O-N 3.38Å
65R98.3Very high98.7Very high141 Ų14152.6 Ų52.653%0.53224%0.235SC..SBendtrans-81.1-31.6179.7-65.3173.8-65.7160.72.3114E67 A90 D91R65-E67 PolarHBondContact O-N 3.26Å; R65-A90 VanDerWaalsContact CG-O 3.27Å; R65-A90 WeakPolarHBondContact CG-O 3.32Å; R65-D91 HydrophobicContact CG-CB 4.19Å
66R98.3Very high98.7Very high124 Ų12451.6 Ų51.647%0.46823%0.234SC..  trans-9092.9-170-65.3179.8-64.5150.24.9111.2S42 K68 V69 L70S42-R66 PolarHBondContact O-NH2 3.31Å; S42-R66 PolarHBondContact OG-NH2 3.14Å; R66-K68 PolarHBondContact O-N 3.47Å; R66-V69 HydrophobicContact CB-CB 4.1Å; R66-V69 HydrophobicContact CB-CG2 4.01Å; R66-V69 PolarHBondContact O-N 2.93Å; R66-L70 PolarHBondContact O-N 2.94Å
67E98.5Very high98.7Very high105 Ų10550 Ų5049%0.49123%0.227SC..Hα-helixtrans-54.4-51.3-175.6-172.7175.5-168.200113.9R65 V69 L70 Q71 Y87 P89R65-E67 PolarHBondContact O-N 3.26Å; E67-V69 PolarHBondContact O-N 2.72Å; E67-L70 WeakPolarHBondContact O-CB 3.49Å; E67-L70 PolarHBondContact O-N 3.27Å; E67-Q71 PolarHBondContact O-N 3.44Å; E67-Y87 HydrophobicContact CG-CE2 3.83Å; E67-P89 HydrophobicContact CB-CB 4.09Å; E67-P89 HydrophobicContact CB-CG 4.24Å; E67-P89 HydrophobicContact CG-CB 4.44Å; E67-P89 HydrophobicContact CG-CG 4.09Å
68K98.6Very high98.7Very high168 Ų16853.9 Ų53.973%0.7324%0.244SC*.Hα-helixtrans-57.5-36.3-179.5-65.8-173.6179.3-1780113.1R66 Q72R66-K68 PolarHBondContact O-N 3.47Å; K68-Q72 WeakPolarHBondContact O-CG 3.36Å; K68-Q72 PolarHBondContact O-N 3.05Å
69V98.6Very high98.7Very high31 Ų3157.8 Ų57.819%0.18827%0.272CS..Hα-helixtrans-74.1-40.2178.5-1780000110.4S42 R66 E67 Q71 Q72 V73S42-V69 WeakPolarHBondContact O-CG1 3.45Å; R66-V69 HydrophobicContact CB-CB 4.1Å; R66-V69 HydrophobicContact CB-CG2 4.01Å; R66-V69 PolarHBondContact O-N 2.93Å; E67-V69 PolarHBondContact O-N 2.72Å; V69-Q71 VanDerWaalsContact C-N 3.29Å; V69-Q71 PolarHBondContact O-N 3.4Å; V69-Q72 WeakPolarHBondContact O-CB 3.48Å; V69-Q72 PolarHBondContact O-N 3.42Å; V69-V73 HydrophobicContact CG1-CG2 4.45Å; V69-V73 WeakPolarHBondContact O-CG2 3.13Å; V69-V73 PolarHBondContact O-N 3.03Å
70L98.9Very high98.7Very high0 Ų057.5 Ų57.50%027%0.272CS..Hα-helixtrans-60.4-40.2174.1-71.8172.8000112.2I62 A64 R66 E67 Q72 V73 A74 Y87 P89I62-L70 HydrophobicContact CB-CD2 4.37Å; I62-L70 HydrophobicContact CD1-CD2 3.94Å; I62-L70 HydrophobicContact CG1-CD2 4.03Å; A64-L70 HydrophobicContact CB-CD1 4.23Å; A64-L70 HydrophobicContact CB-CD2 3.79Å; A64-L70 HydrophobicContact CB-CG 4.14Å; A64-L70 WeakPolarHBondContact O-CD1 3.25Å; R66-L70 PolarHBondContact O-N 2.94Å; E67-L70 WeakPolarHBondContact O-CB 3.49Å; E67-L70 PolarHBondContact O-N 3.27Å; L70-Q72 VanDerWaalsContact C-N 3.33Å; L70-Q72 PolarHBondContact O-N 3.31Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-A74 WeakPolarHBondContact O-CB 3.27Å; L70-A74 PolarHBondContact O-N 3.01Å; L70-Y87 HydrophobicContact CB-CD2 3.95Å; L70-Y87 HydrophobicContact CB-CG 3.94Å; L70-Y87 HydrophobicContact CD1-CD2 4.49Å; L70-P89 HydrophobicContact CD1-CB 4.44Å
71Q98.8Very high98.7Very high81 Ų8159.6 Ų59.638%0.37929%0.293SS..Hα-helixtrans-57.5-48.2174.8-175.3-176.9-9.500111E67 V69 V73 A74 E75 Y87E67-Q71 PolarHBondContact O-N 3.44Å; V69-Q71 VanDerWaalsContact C-N 3.29Å; V69-Q71 PolarHBondContact O-N 3.4Å; Q71-V73 PolarHBondContact O-N 3.07Å; Q71-A74 PolarHBondContact O-N 3.48Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.44Å; Q71-E75 PolarHBondContact NE2-OE1 3Å; Q71-E75 WeakPolarHBondContact O-CG 3.26Å; Q71-E75 PolarHBondContact O-N 3.27Å; Q71-Y87 HydrophobicContact CB-CD1 4.47Å; Q71-Y87 HydrophobicContact CB-CE1 3.81Å; Q71-Y87 HydrophobicContact CG-CE1 3.93Å
72Q98.8Very high98.7Very high120 Ų12060 Ų6056%0.56130%0.297SS*.Hα-helixtrans-60.8-43.3177.3-68.4169.9-12.200112.5K68 V69 L70 E75 K76K68-Q72 WeakPolarHBondContact O-CG 3.36Å; K68-Q72 PolarHBondContact O-N 3.05Å; V69-Q72 WeakPolarHBondContact O-CB 3.48Å; V69-Q72 PolarHBondContact O-N 3.42Å; L70-Q72 VanDerWaalsContact C-N 3.33Å; L70-Q72 PolarHBondContact O-N 3.31Å; Q72-E75 PolarHBondContact O-N 3.36Å; Q72-K76 WeakPolarHBondContact O-CB 3.34Å; Q72-K76 PolarHBondContact O-N 2.97Å
73V98.8Very high98.7Very high2 Ų265 Ų651%0.01232%0.32CS..Hα-helixtrans-63.8-42.6177.1176.40000110.5E47 A50 Y51 I62 V69 L70 Q71 K76 C77E47-V73 HydrophobicContact CG-CG1 4.33Å; E47-V73 HydrophobicContact CG-CG2 4.05Å; A50-V73 HydrophobicContact CB-CG1 4.19Å; Y51-V73 HydrophobicContact CE1-CB 4.46Å; Y51-V73 HydrophobicContact CE1-CG1 3.79Å; I62-V73 HydrophobicContact CD1-CB 3.68Å; I62-V73 HydrophobicContact CD1-CG1 3.5Å; I62-V73 VanDerWaalsContact CD1-CG1 3.5Å; V69-V73 HydrophobicContact CG1-CG2 4.45Å; V69-V73 WeakPolarHBondContact O-CG2 3.13Å; V69-V73 PolarHBondContact O-N 3.03Å; L70-V73 PolarHBondContact O-N 3.2Å; Q71-V73 PolarHBondContact O-N 3.07Å; V73-K76 PolarHBondContact O-N 3.23Å; V73-C77 PolarHBondContact O-N 3.5Å; V73-C77 PolarHBondContact O-SG 3.34Å
74A98.9Very high98.7Very high5 Ų568.4 Ų68.44%0.04134%0.335CS..Hα-helixtrans-64.7-44.6177.800000112.3I62 L70 Q71 K76 C77 L78 A85 Y87I62-A74 HydrophobicContact CD1-CB 4.21Å; L70-A74 WeakPolarHBondContact O-CB 3.27Å; L70-A74 PolarHBondContact O-N 3.01Å; Q71-A74 PolarHBondContact O-N 3.48Å; A74-K76 VanDerWaalsContact C-N 3.3Å; A74-K76 PolarHBondContact O-N 3.35Å; A74-C77 WeakPolarHBondContact O-CB 3.12Å; A74-C77 PolarHBondContact O-N 3.04Å; A74-L78 PolarHBondContact O-N 3.27Å; A74-A85 HydrophobicContact CB-CB 4.28Å; A74-A85 WeakPolarHBondContact O-CB 3.32Å; A74-Y87 HydrophobicContact CB-CD1 3.86Å
75E98.8Very high98.7Very high103 Ų10368.3 Ų68.348%0.48133%0.334SS..Hα-helixtrans-58.8-43.4173.5-73.4170.1-171.800111.1Q71 Q72 L78 S79Q71-E75 WeakPolarHBondContact CG-OE1 3.44Å; Q71-E75 PolarHBondContact NE2-OE1 3Å; Q71-E75 WeakPolarHBondContact O-CG 3.26Å; Q71-E75 PolarHBondContact O-N 3.27Å; Q72-E75 PolarHBondContact O-N 3.36Å; E75-L78 PolarHBondContact O-N 3.12Å; E75-S79 PolarHBondContact O-N 3.09Å
76K98.8Very high98.7Very high96 Ų9664 Ų6442%0.41732%0.321SS..Hα-helixtrans-64-41.8175.9-175.465.3-176.9171.30111.7Y51 Q72 V73 A74 L78 S79 L80Y51-K76 HydrophobicContact CD1-CB 4.5Å; Y51-K76 HydrophobicContact CD1-CG 4.04Å; Y51-K76 HydrophobicContact CE1-CB 3.66Å; Y51-K76 HydrophobicContact CE1-CG 3.44Å; Y51-K76 VanDerWaalsContact CE1-CG 3.44Å; Y51-K76 HydrophobicContact CE2-CG 4.46Å; Q72-K76 WeakPolarHBondContact O-CB 3.34Å; Q72-K76 PolarHBondContact O-N 2.97Å; V73-K76 PolarHBondContact O-N 3.23Å; A74-K76 VanDerWaalsContact C-N 3.3Å; A74-K76 PolarHBondContact O-N 3.35Å; K76-L78 VanDerWaalsContact C-N 3.35Å; K76-L78 PolarHBondContact O-N 3.06Å; K76-S79 PolarHBondContact O-N 2.96Å; K76-S79 PolarHBondContact O-OG 3.48Å; K76-L80 HydrophobicContact CG-CD1 4.11Å; K76-L80 HydrophobicContact CG-CG 4.49Å; K76-L80 VanDerWaalsContact O-CG 3.31Å; K76-L80 WeakPolarHBondContact O-CG 3.35Å; K76-L80 PolarHBondContact O-N 3.44Å
77C98.9Very high98.8Very high1 Ų161.3 Ų61.31%0.00731%0.312CS..Hα-helixtrans-57.6-44.7174.1-73.60000112A54 V73 A74 S79 L80 G81 A82 A85A54-C77 HydrophobicContact CB-CB 3.79Å; A54-C77 WeakPolarHBondContact CB-O 3.43Å; V73-C77 PolarHBondContact O-N 3.5Å; V73-C77 PolarHBondContact O-SG 3.34Å; A74-C77 WeakPolarHBondContact O-CB 3.12Å; A74-C77 PolarHBondContact O-N 3.04Å; C77-S79 VanDerWaalsContact C-N 3.34Å; C77-S79 PolarHBondContact O-N 2.86Å; C77-L80 PolarHBondContact O-N 3.49Å; C77-L80 VanDerWaalsContact O-N 3.13Å; C77-G81 PolarHBondContact O-N 3.38Å; C77-A82 HydrophobicContact CB-CB 4.21Å; C77-A82 VanDerWaalsContact O-CB 3.31Å; C77-A82 WeakPolarHBondContact O-CB 3.39Å; C77-A82 PolarHBondContact O-N 3.26Å; C77-A82 VanDerWaalsContact O-N 3.11Å; C77-A85 HydrophobicContact CB-CB 3.7Å
78L98.8Very high98.8Very high90 Ų9056.9 Ų56.947%0.47129%0.291SS..Hα-helixtrans-59.3-45.7174.8-67.7171.1000111.2A74 E75 K76 L80 G81 A85A74-L78 PolarHBondContact O-N 3.27Å; E75-L78 PolarHBondContact O-N 3.12Å; K76-L78 VanDerWaalsContact C-N 3.35Å; K76-L78 PolarHBondContact O-N 3.06Å; L78-L80 PolarHBondContact O-N 3.48Å; L78-G81 PolarHBondContact O-N 3.25Å; L78-G81 VanDerWaalsContact O-N 3.14Å; L78-A85 HydrophobicContact CD2-CB 3.92Å; L78-A85 HydrophobicContact CG-CB 3.84Å
79S98.8Very high98.8Very high82 Ų8250.9 Ų50.957%0.57327%0.27SS*.Hα-helixtrans-63.2-22.9177.780.30000114.1E75 K76 C77E75-S79 PolarHBondContact O-N 3.09Å; K76-S79 PolarHBondContact O-N 2.96Å; K76-S79 PolarHBondContact O-OG 3.48Å; C77-S79 VanDerWaalsContact C-N 3.34Å; C77-S79 PolarHBondContact O-N 2.86Å
80L98.8Very high98.8Very high41 Ų4149.8 Ų49.822%0.21526%0.264CS..THydrogen-bonded Turntrans-89.5-5.7179.9-72.4174.1000113.4Y51 A54 R55 K76 C77 L78Y51-L80 HydrophobicContact CD1-CD1 3.71Å; Y51-L80 HydrophobicContact CG-CD1 3.75Å; A54-L80 HydrophobicContact CB-CB 3.97Å; R55-L80 WeakPolarHBondContact CA-O 3.36Å; R55-L80 HydrophobicContact CG-CB 4.17Å; R55-L80 HydrophobicContact CG-CD2 4.37Å; K76-L80 HydrophobicContact CG-CD1 4.11Å; K76-L80 HydrophobicContact CG-CG 4.49Å; K76-L80 VanDerWaalsContact O-CG 3.31Å; K76-L80 WeakPolarHBondContact O-CG 3.35Å; K76-L80 PolarHBondContact O-N 3.44Å; C77-L80 PolarHBondContact O-N 3.49Å; C77-L80 VanDerWaalsContact O-N 3.13Å; L78-L80 PolarHBondContact O-N 3.48Å
81G98.6Very high98.8Very high44 Ų4452.1 Ų52.145%0.45428%0.276SS..THydrogen-bonded Turntrans112.28.8175.500000115.6A54 G57 C77 L78 Q83A54-G81 CarbonylContact O-C 3.51Å; G57-G81 WeakPolarHBondContact CA-O 3.48Å; C77-G81 PolarHBondContact O-N 3.38Å; L78-G81 PolarHBondContact O-N 3.25Å; L78-G81 VanDerWaalsContact O-N 3.14Å; G81-Q83 PolarHBondContact O-N 3.08Å
82A98.8Very high98.8Very high10 Ų1048.9 Ų48.98%0.08326%0.261CS..  trans-58.7133.3173.800000110.1A54 A58 I60 C77 K84 A85A54-A82 HydrophobicContact CB-CB 3.8Å; A54-A82 PolarHBondContact O-N 2.92Å; A54-A82 VanDerWaalsContact O-N 3.11Å; A58-A82 WeakPolarHBondContact O-CA 3.41Å; I60-A82 HydrophobicContact CD1-CB 4.3Å; C77-A82 HydrophobicContact CB-CB 4.21Å; C77-A82 VanDerWaalsContact O-CB 3.31Å; C77-A82 WeakPolarHBondContact O-CB 3.39Å; C77-A82 PolarHBondContact O-N 3.26Å; C77-A82 VanDerWaalsContact O-N 3.11Å; A82-K84 PolarHBondContact O-N 3.1Å; A82-A85 HydrophobicContact CB-CB 4.32Å
83Q98.6Very high98.7Very high106 Ų10643.7 Ų43.750%0.49524%0.239SC..SBendtrans-66.7-29.5174.3-74.2-179.136.500111.6G57 A58 Q59 G81G57-Q83 VanDerWaalsContact O-CD 3.32Å; G57-Q83 VanDerWaalsContact O-CG 3.28Å; G57-Q83 WeakPolarHBondContact O-CG 3.12Å; G57-Q83 PolarHBondContact O-NE2 3.16Å; A58-Q83 PolarHBondContact O-N 3.23Å; Q59-Q83 HydrophobicContact CG-CB 3.89Å; G81-Q83 PolarHBondContact O-N 3.08Å
84K98.8Very high98.7Very high72 Ų7247.4 Ų47.431%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-152.7136.6175.4-163.1172.5-169.9172.90108.3Q59 I60 A82 L86 K108 L109Q59-K84 CarbonylContact C-O 3.07Å; Q59-K84 WeakPolarHBondContact CA-O 3.28Å; Q59-K84 HydrophobicContact CB-CB 3.89Å; Q59-K84 HydrophobicContact CG-CB 3.89Å; I60-K84 PolarHBondContact N-O 2.89Å; A82-K84 PolarHBondContact O-N 3.1Å; K84-L86 HydrophobicContact CD-CD1 4.38Å; K84-L86 HydrophobicContact CG-CG 4.27Å; K84-K108 PolarHBondContact NZ-O 2.91Å; K84-L109 HydrophobicContact CD-CD2 4.22Å
85A98.8Very high98.6Very high13 Ų1354.2 Ų54.211%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-135.8120.1169.700000109I60 A74 C77 L78 A82I60-A85 CarbonylContact O-C 3.5Å; I60-A85 WeakPolarHBondContact O-CA 3.47Å; A74-A85 HydrophobicContact CB-CB 4.28Å; A74-A85 WeakPolarHBondContact O-CB 3.32Å; C77-A85 HydrophobicContact CB-CB 3.7Å; L78-A85 HydrophobicContact CD2-CB 3.92Å; L78-A85 HydrophobicContact CG-CB 3.84Å; A82-A85 HydrophobicContact CB-CB 4.32Å
86L98.9Very high98.5Very high50 Ų5053.1 Ų53.126%0.26229%0.293SS..EExtended strand (participates in β ladder)trans-127.6159.9178.6-63.2176.8000109.3I60 V61 I62 K84 F104 K108I60-L86 PolarHBondContact O-N 3.16Å; V61-L86 CarbonylContact C-O 3.57Å; V61-L86 WeakPolarHBondContact CA-O 3.45Å; V61-L86 HydrophobicContact CG2-CB 4.07Å; V61-L86 HydrophobicContact CG2-CD1 4.5Å; I62-L86 WeakPolarHBondContact CG1-O 3.49Å; I62-L86 PolarHBondContact N-O 2.85Å; K84-L86 HydrophobicContact CD-CD1 4.38Å; K84-L86 HydrophobicContact CG-CG 4.27Å; L86-F104 HydrophobicContact CB-CE1 4.28Å; L86-K108 HydrophobicContact CD1-CB 3.46Å; L86-K108 VanDerWaalsContact CD1-CB 3.46Å; L86-K108 HydrophobicContact CD1-CG 3.9Å
87Y98.9Very high98.5Very high68 Ų6849.2 Ų49.227%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-135.4156.9175.765.5-90.3000112I62 E67 L70 Q71 A74I62-Y87 VanDerWaalsContact O-CA 3.24Å; I62-Y87 WeakPolarHBondContact O-CA 3.21Å; E67-Y87 HydrophobicContact CG-CE2 3.83Å; L70-Y87 HydrophobicContact CB-CD2 3.95Å; L70-Y87 HydrophobicContact CB-CG 3.94Å; L70-Y87 HydrophobicContact CD1-CD2 4.49Å; Q71-Y87 HydrophobicContact CB-CD1 4.47Å; Q71-Y87 HydrophobicContact CB-CE1 3.81Å; Q71-Y87 HydrophobicContact CG-CE1 3.93Å; A74-Y87 HydrophobicContact CB-CD1 3.86Å
88I98.8Very high98.5Very high12 Ų1249.2 Ų49.26%0.06228%0.277CS..EExtended strand (participates in β ladder)trans-142119.1171.5-176.5169.4000109.8V61 I62 T63 R100 V101 F104V61-I88 HydrophobicContact CG1-CG2 4.19Å; I62-I88 PolarHBondContact O-N 3.4Å; T63-I88 WeakPolarHBondContact CA-O 3.35Å; T63-I88 VanDerWaalsContact CB-O 3.31Å; T63-I88 WeakPolarHBondContact CB-O 3.36Å; T63-I88 PolarHBondContact OG1-O 2.98Å; I88-R100 HydrophobicContact CD1-CG 4.44Å; I88-V101 HydrophobicContact CG2-CB 4.45Å; I88-V101 HydrophobicContact CG2-CG1 4.14Å; I88-V101 HydrophobicContact CG2-CG2 4.03Å; I88-F104 HydrophobicContact CB-CD1 3.99Å; I88-F104 HydrophobicContact CB-CE1 4.11Å; I88-F104 HydrophobicContact CB-CG 4.32Å; I88-F104 HydrophobicContact CD1-CB 3.59Å; I88-F104 HydrophobicContact CD1-CD1 4.15Å; I88-F104 HydrophobicContact CD1-CD2 3.89Å; I88-F104 HydrophobicContact CD1-CG 3.63Å; I88-F104 HydrophobicContact CG2-CD1 3.96Å; I88-F104 HydrophobicContact CG2-CE1 4.39Å; I88-F104 HydrophobicContact CG2-CG 4.47Å
89P98.8Very high98.5Very high42 Ų4247.9 Ų47.927%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-71.4135.5173.829.1-32.7000110.6A64 E67 L70 R100A64-P89 VanDerWaalsContact O-CA 3.25Å; A64-P89 WeakPolarHBondContact O-CA 3.44Å; E67-P89 HydrophobicContact CB-CB 4.09Å; E67-P89 HydrophobicContact CB-CG 4.24Å; E67-P89 HydrophobicContact CG-CB 4.44Å; E67-P89 HydrophobicContact CG-CG 4.09Å; L70-P89 HydrophobicContact CD1-CB 4.44Å; P89-R100 PolarHBondContact O-NH1 2.91Å; P89-R100 PolarHBondContact O-NH2 3.04Å
90A98.6Very high98.5Very high8 Ų848.7 Ų48.77%0.06626%0.261CS..  trans-157.2150.5-179.700000111.4A64 R65 M92 D97 V101A64-A90 CarbonylContact C-O 3.59Å; A64-A90 PolarHBondContact O-N 3.38Å; R65-A90 VanDerWaalsContact CG-O 3.27Å; R65-A90 WeakPolarHBondContact CG-O 3.32Å; A90-M92 HydrophobicContact CB-CE 4.24Å; A90-D97 HydrophobicContact CB-CB 4.12Å; A90-V101 HydrophobicContact CB-CG2 3.38Å
91D98.4Very high98.5Very high48 Ų4846.7 Ų46.726%0.25725%0.25SS..  trans-109.6117.4168.4-166.5-23000109.5R65 A93 N94 D97R65-D91 HydrophobicContact CG-CB 4.19Å; D91-A93 PolarHBondContact O-N 2.96Å; D91-A93 VanDerWaalsContact O-N 3.11Å; D91-A93 WeakPolarHBondContact OD1-CB 3.45Å; D91-A93 PolarHBondContact OD1-N 3.49Å; D91-N94 VanDerWaalsContact O-CB 3.32Å; D91-N94 WeakPolarHBondContact O-CB 3.37Å; D91-N94 PolarHBondContact O-N 3.02Å; D91-D97 PolarHBondContact N-OD2 2.93Å; D91-D97 VanDerWaalsContact O-CB 3.26Å; D91-D97 WeakPolarHBondContact O-CB 3.26Å
92M98.6Very high98.5Very high14 Ų1444.6 Ų44.67%0.06923%0.229CC..THydrogen-bonded Turntrans-72.3-3.6-177.8-61.5-68.3166.300112.7T63 A90 P98 V101 H119 V141 M149T63-M92 HydrophobicContact CG2-CE 3.7Å; A90-M92 HydrophobicContact CB-CE 4.24Å; M92-P98 HydrophobicContact SD-CG 4.09Å; M92-V101 HydrophobicContact CE-CB 4.39Å; M92-V101 HydrophobicContact CE-CG1 4.37Å; M92-V101 HydrophobicContact CE-CG2 3.98Å; M92-H119 WeakPolarHBondContact CB-NE2 3.49Å; M92-H119 VanDerWaalsContact CG-CD2 3.45Å; M92-H119 WeakPolarHBondContact CG-CD2 3.22Å; M92-H119 VanDerWaalsContact CG-NE2 3.3Å; M92-H119 WeakPolarHBondContact CG-NE2 3.3Å; M92-V141 HydrophobicContact CB-CG1 4.24Å; M92-M149 HydrophobicContact CE-CE 4.35Å; M92-M149 HydrophobicContact CE-SD 4.05Å; M92-M149 HydrophobicContact SD-SD 3.94Å
93A97.8Very high98.5Very high11 Ų1146.9 Ų46.99%0.09124%0.239CC..THydrogen-bonded Turntrans-80.9-17.2165.600000113D91 W137 K140 V141D91-A93 PolarHBondContact O-N 2.96Å; D91-A93 VanDerWaalsContact O-N 3.11Å; D91-A93 WeakPolarHBondContact OD1-CB 3.45Å; D91-A93 PolarHBondContact OD1-N 3.49Å; A93-W137 HydrophobicContact CB-CZ2 4.08Å; A93-W137 VanDerWaalsContact CB-NE1 3.29Å; A93-K140 VanDerWaalsContact O-CD 3.31Å; A93-K140 WeakPolarHBondContact O-CD 3.45Å; A93-K140 WeakPolarHBondContact O-CE 3.42Å; A93-K140 PolarHBondContact O-NZ 2.89Å; A93-V141 HydrophobicContact CB-CG2 3.63Å
94N98.1Very high98.5Very high80 Ų8044 Ų4443%0.42823%0.226SC..SBendtrans-79.4141.4174.7-66.2-28.9000109.8D91 D97 P98D91-N94 VanDerWaalsContact O-CB 3.32Å; D91-N94 WeakPolarHBondContact O-CB 3.37Å; D91-N94 PolarHBondContact O-N 3.02Å; N94-D97 HydrophobicContact CB-CB 3.91Å; N94-D97 PolarHBondContact ND2-OD2 3.4Å; N94-P98 WeakPolarHBondContact O-CD 3.07Å
95E96.3Very high98.6Very high147 Ų14740.6 Ų40.669%0.68721%0.211SC*.SBendtrans-69.6-35.7-173.4-172.5167.9-173.200113.4Q148E95-Q148 PolarHBondContact O-OE1 2.81Å
96S97.9Very high98.6Very high81 Ų8141.9 Ų41.957%0.56622%0.215SC*.SBendtrans-88.7-16.9-178.357.80000114.5R100S96-R100 VanDerWaalsContact O-CB 3.3Å; S96-R100 WeakPolarHBondContact O-CB 3.31Å; S96-R100 PolarHBondContact O-N 3.48Å
97D98.6Very high98.5Very high13 Ų1345.9 Ų45.97%0.0723%0.233CC..Hα-helixtrans-67.8-42.3-172-88.4-6.9000113.9A90 D91 N94 D99 R100 V101A90-D97 HydrophobicContact CB-CB 4.12Å; D91-D97 PolarHBondContact N-OD2 2.93Å; D91-D97 VanDerWaalsContact O-CB 3.26Å; D91-D97 WeakPolarHBondContact O-CB 3.26Å; N94-D97 HydrophobicContact CB-CB 3.91Å; N94-D97 PolarHBondContact ND2-OD2 3.4Å; D97-D99 VanDerWaalsContact C-N 3.35Å; D97-D99 PolarHBondContact O-N 3.04Å; D97-R100 VanDerWaalsContact CG-NH2 3.33Å; D97-R100 PolarHBondContact O-N 2.84Å; D97-R100 IonicContact OD1-CZ 3.61Å; D97-R100 VanDerWaalsContact OD1-CZ 3.24Å; D97-R100 IonicContact OD1-NE 3.82Å; D97-R100 PolarHBondContact OD1-NE 2.93Å; D97-R100 IonicContact OD1-NH2 3.64Å; D97-R100 PolarHBondContact OD1-NH2 3.35Å; D97-R100 IonicContact OD2-NH2 3.24Å; D97-V101 WeakPolarHBondContact O-CB 2.96Å; D97-V101 VanDerWaalsContact O-CG2 3.25Å; D97-V101 WeakPolarHBondContact O-CG2 3.27Å; D97-V101 PolarHBondContact O-N 2.71Å
98P98.8Very high98.5Very high1 Ų146.3 Ų46.31%0.00624%0.236CC..Hα-helixtrans-50.5-51.1174.1-32.739.6000113.1M92 N94 V101 V102 Q148 M149M92-P98 HydrophobicContact SD-CG 4.09Å; N94-P98 WeakPolarHBondContact O-CD 3.07Å; P98-V101 PolarHBondContact O-N 3.33Å; P98-V102 PolarHBondContact O-N 3.42Å; P98-Q148 HydrophobicContact CB-CB 3.97Å; P98-M149 HydrophobicContact CB-CG 3.71Å
99D98.8Very high98.5Very high62 Ų6246.3 Ų46.333%0.33224%0.236SC..Hα-helixtrans-68.1-44.4179.9-72.4-15.7000111.8D97 V101 V102 D103D97-D99 VanDerWaalsContact C-N 3.35Å; D97-D99 PolarHBondContact O-N 3.04Å; D99-V101 VanDerWaalsContact C-N 3.25Å; D99-V101 PolarHBondContact O-N 2.94Å; D99-V102 PolarHBondContact O-N 3.22Å; D99-V102 VanDerWaalsContact O-N 3.14Å; D99-D103 WeakPolarHBondContact O-CB 3.27Å; D99-D103 PolarHBondContact O-N 3.05Å
100R98.8Very high98.5Very high99 Ų9947.2 Ų47.237%0.37425%0.253SS..Hα-helixtrans-56.6-39.7177.6-178.2177.865.884.4-1.4112.3I88 P89 S96 D97 F104I88-R100 HydrophobicContact CD1-CG 4.44Å; P89-R100 PolarHBondContact O-NH1 2.91Å; P89-R100 PolarHBondContact O-NH2 3.04Å; S96-R100 VanDerWaalsContact O-CB 3.3Å; S96-R100 WeakPolarHBondContact O-CB 3.31Å; S96-R100 PolarHBondContact O-N 3.48Å; D97-R100 VanDerWaalsContact CG-NH2 3.33Å; D97-R100 PolarHBondContact O-N 2.84Å; D97-R100 IonicContact OD1-CZ 3.61Å; D97-R100 VanDerWaalsContact OD1-CZ 3.24Å; D97-R100 IonicContact OD1-NE 3.82Å; D97-R100 PolarHBondContact OD1-NE 2.93Å; D97-R100 IonicContact OD1-NH2 3.64Å; D97-R100 PolarHBondContact OD1-NH2 3.35Å; D97-R100 IonicContact OD2-NH2 3.24Å; R100-F104 WeakPolarHBondContact O-CB 3.43Å; R100-F104 PolarHBondContact O-N 3.4Å
101V98.9Very high98.5Very high0 Ų047.1 Ų47.10%025%0.253CS..Hα-helixtrans-67.6-43.9178.4167.40000111.4L37 T63 I88 A90 M92 D97 P98 D99 A105 M149L37-V101 HydrophobicContact CD1-CG1 3.99Å; L37-V101 HydrophobicContact CD2-CG1 4.13Å; T63-V101 HydrophobicContact CG2-CG1 3.76Å; I88-V101 HydrophobicContact CG2-CB 4.45Å; I88-V101 HydrophobicContact CG2-CG1 4.14Å; I88-V101 HydrophobicContact CG2-CG2 4.03Å; A90-V101 HydrophobicContact CB-CG2 3.38Å; M92-V101 HydrophobicContact CE-CB 4.39Å; M92-V101 HydrophobicContact CE-CG1 4.37Å; M92-V101 HydrophobicContact CE-CG2 3.98Å; D97-V101 WeakPolarHBondContact O-CB 2.96Å; D97-V101 VanDerWaalsContact O-CG2 3.25Å; D97-V101 WeakPolarHBondContact O-CG2 3.27Å; D97-V101 PolarHBondContact O-N 2.71Å; P98-V101 PolarHBondContact O-N 3.33Å; D99-V101 VanDerWaalsContact C-N 3.25Å; D99-V101 PolarHBondContact O-N 2.94Å; V101-A105 PolarHBondContact O-N 3.22Å; V101-A105 VanDerWaalsContact O-N 3.11Å; V101-M149 HydrophobicContact CB-CE 4.14Å; V101-M149 HydrophobicContact CG1-CE 3.62Å
102V98.9Very high98.5Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-64.4-45.4176.5175.80000110.3L37 P98 D99 F104 A105 L106 M149 R152 A153L37-V102 HydrophobicContact CD2-CG2 4.14Å; P98-V102 PolarHBondContact O-N 3.42Å; D99-V102 PolarHBondContact O-N 3.22Å; D99-V102 VanDerWaalsContact O-N 3.14Å; V102-F104 VanDerWaalsContact C-N 3.34Å; V102-F104 PolarHBondContact O-N 2.92Å; V102-A105 WeakPolarHBondContact O-CB 3.36Å; V102-A105 PolarHBondContact O-N 3.17Å; V102-L106 HydrophobicContact CG1-CD1 3.89Å; V102-L106 HydrophobicContact CG1-CG 4.15Å; V102-L106 WeakPolarHBondContact O-CG 3.34Å; V102-L106 PolarHBondContact O-N 2.98Å; V102-M149 HydrophobicContact CG2-CB 3.86Å; V102-M149 HydrophobicContact CG2-CE 3.71Å; V102-M149 HydrophobicContact CG2-CG 4.03Å; V102-R152 HydrophobicContact CB-CB 4.29Å; V102-R152 HydrophobicContact CB-CG 3.89Å; V102-R152 HydrophobicContact CG1-CB 4.11Å; V102-R152 HydrophobicContact CG1-CG 3.72Å; V102-R152 HydrophobicContact CG2-CB 4.46Å; V102-A153 HydrophobicContact CG1-CB 3.9Å
103D98.9Very high98.5Very high57 Ų5745.7 Ų45.731%0.30525%0.246SC..Hα-helixtrans-60.5-43.1179.6-75.5-6.5000112.2D99 A105 L106 E107 R152D99-D103 WeakPolarHBondContact O-CB 3.27Å; D99-D103 PolarHBondContact O-N 3.05Å; D103-A105 VanDerWaalsContact C-N 3.32Å; D103-A105 PolarHBondContact O-N 2.9Å; D103-L106 PolarHBondContact O-N 3.46Å; D103-E107 WeakPolarHBondContact O-CB 3.38Å; D103-E107 PolarHBondContact O-N 3.4Å; D103-R152 VanDerWaalsContact CG-NH2 3.29Å; D103-R152 IonicContact OD1-CZ 2.75Å; D103-R152 IonicContact OD1-NE 2.7Å; D103-R152 PolarHBondContact OD1-NE 3.26Å; D103-R152 IonicContact OD1-NH2 2.9Å; D103-R152 PolarHBondContact OD1-NH2 3.45Å; D103-R152 IonicContact OD2-CZ 3.1Å; D103-R152 IonicContact OD2-NE 3.11Å; D103-R152 IonicContact OD2-NH2 2.76Å; D103-R152 PolarHBondContact OD2-NH2 2.79Å; D103-R152 VanDerWaalsContact OD2-NH2 3.11Å
104F98.9Very high98.6Very high47 Ų4746.4 Ų46.421%0.20625%0.246CC..Hα-helixtrans-59.4-43.5173.2-179.9-91.7000111.8V61 L86 I88 R100 V102 K108V61-F104 HydrophobicContact CG1-CD1 3.93Å; V61-F104 HydrophobicContact CG1-CE1 4.1Å; V61-F104 HydrophobicContact CG2-CD1 4.47Å; V61-F104 HydrophobicContact CG2-CE1 4.36Å; L86-F104 HydrophobicContact CB-CE1 4.28Å; I88-F104 HydrophobicContact CB-CD1 3.99Å; I88-F104 HydrophobicContact CB-CE1 4.11Å; I88-F104 HydrophobicContact CB-CG 4.32Å; I88-F104 HydrophobicContact CD1-CB 3.59Å; I88-F104 HydrophobicContact CD1-CD1 4.15Å; I88-F104 HydrophobicContact CD1-CD2 3.89Å; I88-F104 HydrophobicContact CD1-CG 3.63Å; I88-F104 HydrophobicContact CG2-CD1 3.96Å; I88-F104 HydrophobicContact CG2-CE1 4.39Å; I88-F104 HydrophobicContact CG2-CG 4.47Å; R100-F104 WeakPolarHBondContact O-CB 3.43Å; R100-F104 PolarHBondContact O-N 3.4Å; V102-F104 VanDerWaalsContact C-N 3.34Å; V102-F104 PolarHBondContact O-N 2.92Å; F104-K108 HydrophobicContact CD1-CG 4.16Å; F104-K108 HydrophobicContact CD2-CG 4.09Å; F104-K108 HydrophobicContact CE1-CG 3.92Å; F104-K108 HydrophobicContact CE2-CD 4.43Å; F104-K108 HydrophobicContact CE2-CG 3.86Å; F104-K108 HydrophobicContact CG-CG 4.25Å; F104-K108 HydrophobicContact CZ-CG 3.78Å; F104-K108 VanDerWaalsContact O-CB 3.31Å; F104-K108 WeakPolarHBondContact O-CB 3.4Å; F104-K108 VanDerWaalsContact O-CG 3.24Å; F104-K108 WeakPolarHBondContact O-CG 3.41Å; F104-K108 PolarHBondContact O-N 3.5Å
105A98.9Very high98.6Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-65-44.2178.200000111.9L37 V61 V101 V102 D103 K108 L109 L112L37-A105 HydrophobicContact CB-CB 4.27Å; L37-A105 HydrophobicContact CD1-CB 4.2Å; L37-A105 HydrophobicContact CD2-CB 3.84Å; L37-A105 HydrophobicContact CG-CB 4.34Å; V61-A105 HydrophobicContact CB-CB 4.14Å; V61-A105 HydrophobicContact CG1-CB 4.2Å; V61-A105 HydrophobicContact CG2-CB 4.2Å; V101-A105 PolarHBondContact O-N 3.22Å; V101-A105 VanDerWaalsContact O-N 3.11Å; V102-A105 WeakPolarHBondContact O-CB 3.36Å; V102-A105 PolarHBondContact O-N 3.17Å; D103-A105 VanDerWaalsContact C-N 3.32Å; D103-A105 PolarHBondContact O-N 2.9Å; A105-K108 PolarHBondContact O-N 3.39Å; A105-L109 HydrophobicContact CB-CD1 4.45Å; A105-L109 WeakPolarHBondContact O-CB 3.47Å; A105-L109 VanDerWaalsContact O-CG 3.32Å; A105-L109 WeakPolarHBondContact O-CG 3.39Å; A105-L109 PolarHBondContact O-N 3.31Å; A105-L112 HydrophobicContact CB-CD1 4.48Å
106L98.8Very high98.8Very high39 Ų3935.6 Ų35.620%0.20419%0.193CC..Hα-helixtrans-59.7-47.8177.1-67.7174.4000111.6V102 D103 G110 G111 L112 S156V102-L106 HydrophobicContact CG1-CD1 3.89Å; V102-L106 HydrophobicContact CG1-CG 4.15Å; V102-L106 WeakPolarHBondContact O-CG 3.34Å; V102-L106 PolarHBondContact O-N 2.98Å; D103-L106 PolarHBondContact O-N 3.46Å; L106-G110 CarbonylContact O-C 3.6Å; L106-G110 VanDerWaalsContact O-CA 3.31Å; L106-G110 WeakPolarHBondContact O-CA 3.34Å; L106-G110 PolarHBondContact O-N 2.88Å; L106-G111 PolarHBondContact O-N 2.97Å; L106-L112 HydrophobicContact CD2-CB 3.91Å; L106-S156 WeakPolarHBondContact CD2-OG 3.28Å
107E98.8Very high98.8Very high134 Ų13431.8 Ų31.863%0.62617%0.166SC*.Hα-helixtrans-63.3-50.5178.8-171.9-156.4134.800111.2D103D103-E107 WeakPolarHBondContact O-CB 3.38Å; D103-E107 PolarHBondContact O-N 3.4Å
108K98.8Very high98.8Very high77 Ų7732 Ų3234%0.33517%0.168SC..Hα-helixtrans-77.5-26.8-171.8-62.3-52.8-178.1-157.90113.6K84 L86 F104 A105K84-K108 PolarHBondContact NZ-O 2.91Å; L86-K108 HydrophobicContact CD1-CB 3.46Å; L86-K108 VanDerWaalsContact CD1-CB 3.46Å; L86-K108 HydrophobicContact CD1-CG 3.9Å; F104-K108 HydrophobicContact CD1-CG 4.16Å; F104-K108 HydrophobicContact CD2-CG 4.09Å; F104-K108 HydrophobicContact CE1-CG 3.92Å; F104-K108 HydrophobicContact CE2-CD 4.43Å; F104-K108 HydrophobicContact CE2-CG 3.86Å; F104-K108 HydrophobicContact CG-CG 4.25Å; F104-K108 HydrophobicContact CZ-CG 3.78Å; F104-K108 VanDerWaalsContact O-CB 3.31Å; F104-K108 WeakPolarHBondContact O-CB 3.4Å; F104-K108 VanDerWaalsContact O-CG 3.24Å; F104-K108 WeakPolarHBondContact O-CG 3.41Å; F104-K108 PolarHBondContact O-N 3.5Å; A105-K108 PolarHBondContact O-N 3.39Å
109L98.7Very high98.8Very high13 Ų1332.6 Ų32.67%0.06817%0.17CC..Hα-helixtrans-99-10.1179.1-57.2177.5000112.7R35 Q59 V61 K84 A105 G111 L112R35-L109 HydrophobicContact CB-CB 3.97Å; R35-L109 HydrophobicContact CB-CD1 4.01Å; R35-L109 WeakPolarHBondContact CD-O 3.37Å; R35-L109 HydrophobicContact CG-CB 4Å; Q59-L109 HydrophobicContact CB-CD2 3.87Å; V61-L109 HydrophobicContact CB-CD1 4.32Å; V61-L109 HydrophobicContact CG2-CD1 3.76Å; V61-L109 HydrophobicContact CG2-CD2 4.03Å; V61-L109 HydrophobicContact CG2-CG 3.81Å; K84-L109 HydrophobicContact CD-CD2 4.22Å; A105-L109 HydrophobicContact CB-CD1 4.45Å; A105-L109 WeakPolarHBondContact O-CB 3.47Å; A105-L109 VanDerWaalsContact O-CG 3.32Å; A105-L109 WeakPolarHBondContact O-CG 3.39Å; A105-L109 PolarHBondContact O-N 3.31Å; L109-G111 WeakPolarHBondContact CB-O 3.48Å; L109-L112 HydrophobicContact CD1-CD1 4.28Å
110G98.4Very high98.8Very high60 Ų6033.1 Ų33.162%0.61917%0.172SC*.THydrogen-bonded Turntrans71.631.4-174.800000112.8R35 L106R35-G110 PolarHBondContact NH1-O 2.99Å; L106-G110 CarbonylContact O-C 3.6Å; L106-G110 VanDerWaalsContact O-CA 3.31Å; L106-G110 WeakPolarHBondContact O-CA 3.34Å; L106-G110 PolarHBondContact O-N 2.88Å
111G98.4Very high98.6Very high7 Ų728.6 Ų28.67%0.07216%0.156CC..SBendtrans119.9-173.6-176.600000113R35 L106 L109 S156R35-G111 WeakPolarHBondContact CB-O 3.24Å; R35-G111 WeakPolarHBondContact CD-O 3.29Å; L106-G111 PolarHBondContact O-N 2.97Å; L109-G111 WeakPolarHBondContact CB-O 3.48Å; G111-S156 WeakPolarHBondContact CA-OG 3.31Å
112L98.8Very high98.3Very high0 Ų031.8 Ų31.80%018%0.177CC..  trans-139.9134.1-171.5-16067.4000112.4L37 A105 L106 L109 L115 A153 S156 L157 S160L37-L112 HydrophobicContact CB-CD1 3.8Å; L37-L112 HydrophobicContact CB-CD2 4.35Å; A105-L112 HydrophobicContact CB-CD1 4.48Å; L106-L112 HydrophobicContact CD2-CB 3.91Å; L109-L112 HydrophobicContact CD1-CD1 4.28Å; L112-L115 HydrophobicContact CD2-CB 3.96Å; L112-A153 HydrophobicContact CD2-CB 3.97Å; L112-S156 PolarHBondContact N-OG 2.92Å; L112-L157 HydrophobicContact CD2-CD2 4.39Å; L112-L157 HydrophobicContact CG-CD2 4.36Å; L112-S160 WeakPolarHBondContact O-CB 3.27Å; L112-S160 PolarHBondContact O-OG 2.88Å
113D98.9Very high97.9Very high32 Ų3232.6 Ų32.617%0.17118%0.182CC..SBendtrans-104.7-35174.5-56.6-52.9000111.1R35 S160 G162 S163R35-D113 WeakPolarHBondContact CB-OD2 3.38Å; R35-D113 WeakPolarHBondContact CG-OD2 3.48Å; R35-D113 IonicContact CZ-OD1 3.52Å; R35-D113 IonicContact CZ-OD2 3.71Å; R35-D113 PolarHBondContact N-OD2 2.75Å; R35-D113 IonicContact NE-OD1 3.49Å; R35-D113 PolarHBondContact NE-OD1 3.19Å; R35-D113 IonicContact NE-OD2 2.9Å; R35-D113 PolarHBondContact NE-OD2 3.28Å; R35-D113 IonicContact NH2-OD1 2.72Å; R35-D113 PolarHBondContact NH2-OD1 3.33Å; R35-D113 IonicContact NH2-OD2 3.67Å; R35-D113 PolarHBondContact O-N 3.41Å; D113-S160 WeakPolarHBondContact OD1-CB 3.37Å; D113-G162 CarbonylContact O-C 3.55Å; D113-G162 WeakPolarHBondContact O-CA 3.4Å; D113-S163 PolarHBondContact O-N 3.08Å
114Y98.9Very high97.3Very high26 Ų2634.2 Ų34.210%0.10219%0.194CC..EExtended strand (participates in β ladder)trans-133.3127.3-179.2-62.9-94.8000111.4L31 A34 R35 V36 L37 S163L31-Y114 HydrophobicContact CD2-CD2 4.43Å; L31-Y114 HydrophobicContact CD2-CE1 4.21Å; L31-Y114 HydrophobicContact CD2-CE2 3.64Å; L31-Y114 WeakPolarHBondContact CD2-OH 3.23Å; A34-Y114 HydrophobicContact CB-CD2 4.09Å; A34-Y114 HydrophobicContact CB-CE2 3.84Å; R35-Y114 PolarHBondContact O-N 2.9Å; V36-Y114 WeakPolarHBondContact CA-O 3.38Å; V36-Y114 HydrophobicContact CG2-CD2 4.01Å; V36-Y114 HydrophobicContact CG2-CG 4.36Å; L37-Y114 PolarHBondContact N-O 3.41Å; Y114-S163 WeakPolarHBondContact CA-O 3.4Å
115L98.9Very high96.8Very high0 Ų034.5 Ų34.50%020%0.195CC..EExtended strand (participates in β ladder)trans-110.4114.1166.2175.955.9000109.2L37 L112 L117 M149 A153 L157 S163 L164 V165L37-L115 HydrophobicContact CB-CD1 4.09Å; L37-L115 HydrophobicContact CD2-CD1 3.72Å; L37-L115 HydrophobicContact CG-CD1 3.9Å; L112-L115 HydrophobicContact CD2-CB 3.96Å; L115-L117 HydrophobicContact CD1-CD2 3.81Å; L115-L117 HydrophobicContact CD1-CG 4.45Å; L115-L117 HydrophobicContact CD2-CD2 4.09Å; L115-L117 HydrophobicContact CD2-CG 4.37Å; L115-L117 HydrophobicContact CG-CD2 3.86Å; L115-L117 HydrophobicContact CG-CG 4.04Å; L115-M149 HydrophobicContact CD1-CE 4.39Å; L115-M149 HydrophobicContact CD2-CB 4.24Å; L115-A153 HydrophobicContact CD2-CB 3.61Å; L115-L157 HydrophobicContact CB-CD1 4.27Å; L115-S163 PolarHBondContact N-O 3.09Å; L115-L164 HydrophobicContact CB-CD1 3.92Å; L115-L164 HydrophobicContact CD2-CD1 3.71Å; L115-L164 HydrophobicContact CG-CD1 3.77Å; L115-V165 PolarHBondContact O-N 2.85Å
116V98.9Very high96.4Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-107.8104.9-179.9-172.10000110.4V36 L37 V38 T39 M49 Y53 N118 V165V36-V116 HydrophobicContact CG1-CG2 4.31Å; L37-V116 PolarHBondContact O-N 3.25Å; V38-V116 HydrophobicContact CG1-CB 4.38Å; V38-V116 HydrophobicContact CG1-CG1 4.41Å; V38-V116 HydrophobicContact CG2-CB 4.31Å; V38-V116 HydrophobicContact CG2-CG2 4.37Å; T39-V116 PolarHBondContact N-O 2.86Å; T39-V116 PolarHBondContact OG1-O 3.45Å; M49-V116 HydrophobicContact CE-CG1 3.66Å; M49-V116 HydrophobicContact SD-CG1 3.76Å; Y53-V116 HydrophobicContact CE2-CG2 4.12Å; V116-N118 HydrophobicContact CG1-CB 4.47Å; V116-N118 PolarHBondContact O-N 2.95Å; V116-V165 HydrophobicContact CG1-CB 4.38Å; V116-V165 HydrophobicContact CG1-CG1 4.42Å; V116-V165 HydrophobicContact CG2-CB 4.25Å; V116-V165 HydrophobicContact CG2-CG2 4.49Å
117L98.9Very high96.1Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-92.898.6180-56.6177.9000110.2T39 L115 Y146 M149 A150 L164 V165 V166 V167 F193T39-L117 HydrophobicContact CG2-CD2 4.29Å; T39-L117 WeakPolarHBondContact OG1-CA 3.16Å; L115-L117 HydrophobicContact CD1-CD2 3.81Å; L115-L117 HydrophobicContact CD1-CG 4.45Å; L115-L117 HydrophobicContact CD2-CD2 4.09Å; L115-L117 HydrophobicContact CD2-CG 4.37Å; L115-L117 HydrophobicContact CG-CD2 3.86Å; L115-L117 HydrophobicContact CG-CG 4.04Å; L117-Y146 HydrophobicContact CB-CD1 3.37Å; L117-Y146 HydrophobicContact CB-CD2 4.37Å; L117-Y146 HydrophobicContact CB-CE1 3.28Å; L117-Y146 HydrophobicContact CB-CE2 4.3Å; L117-Y146 HydrophobicContact CB-CG 3.93Å; L117-Y146 HydrophobicContact CD1-CD1 3.7Å; L117-Y146 HydrophobicContact CD1-CE1 4.48Å; L117-Y146 HydrophobicContact CD1-CG 3.87Å; L117-Y146 HydrophobicContact CG-CD1 4.13Å; L117-Y146 HydrophobicContact CG-CE1 4.47Å; L117-Y146 HydrophobicContact CG-CG 4.38Å; L117-Y146 VanDerWaalsContact O-CE1 3.23Å; L117-Y146 WeakPolarHBondContact O-CE1 3.42Å; L117-Y146 PolarHBondContact O-OH 2.92Å; L117-Y146 VanDerWaalsContact O-OH 3.05Å; L117-M149 HydrophobicContact CD2-CB 3.94Å; L117-M149 HydrophobicContact CD2-CG 4.49Å; L117-M149 HydrophobicContact CD2-SD 3.87Å; L117-A150 HydrophobicContact CD1-CB 4.43Å; L117-L164 HydrophobicContact CD1-CD1 3.84Å; L117-L164 HydrophobicContact CG-CD1 4.19Å; L117-V165 PolarHBondContact N-O 2.83Å; L117-V166 HydrophobicContact CD1-CG2 4.46Å; L117-V167 PolarHBondContact O-N 3.37Å; L117-F193 HydrophobicContact CD1-CZ 4.12Å
118N98.9Very high95.9Very high19 Ų1937.2 Ų37.210%0.10221%0.21CC..  trans-126.8-19.8-172.2163.484.2000114.5T39 G40 G46 M49 V116 Y146 V167T39-N118 WeakPolarHBondContact O-CB 3.31Å; T39-N118 PolarHBondContact O-ND2 2.91Å; T39-N118 PolarHBondContact OG1-N 3.32Å; G40-N118 PolarHBondContact O-ND2 2.88Å; G46-N118 WeakPolarHBondContact CA-ND2 3.32Å; M49-N118 HydrophobicContact CE-CB 3.66Å; V116-N118 HydrophobicContact CG1-CB 4.47Å; V116-N118 PolarHBondContact O-N 2.95Å; N118-Y146 VanDerWaalsContact CA-OH 3.24Å; N118-Y146 WeakPolarHBondContact CA-OH 3.33Å; N118-Y146 PolarHBondContact N-OH 3.24Å; N118-Y146 VanDerWaalsContact N-OH 3.16Å; N118-V167 HydrophobicContact CB-CB 4.19Å; N118-V167 HydrophobicContact CB-CG2 3.76Å
119H98.7Very high95.7Very high13 Ų1342.5 Ų42.56%0.0624%0.236CC..  trans-61.3145.9-177.665-87.7000113.3T39 M92 V141 S145 Y146T39-H119 WeakPolarHBondContact CB-ND1 3.25Å; T39-H119 PolarHBondContact OG1-N 3.5Å; T39-H119 PolarHBondContact OG1-ND1 2.98Å; M92-H119 WeakPolarHBondContact CB-NE2 3.49Å; M92-H119 VanDerWaalsContact CG-CD2 3.45Å; M92-H119 WeakPolarHBondContact CG-CD2 3.22Å; M92-H119 VanDerWaalsContact CG-NE2 3.3Å; M92-H119 WeakPolarHBondContact CG-NE2 3.3Å; H119-V141 PolarHBondContact CD2-O 3.27Å; H119-V141 VanDerWaalsContact CD2-O 3.3Å; H119-V141 PolarHBondContact NE2-O 3.12Å; H119-S145 PolarHBondContact NE2-OG 3.28Å; H119-Y146 AromaticContact CD2-CE2 3.78Å; H119-Y146 AromaticContact CE1-CD2 3.45Å; H119-Y146 VanDerWaalsContact CE1-CD2 3.45Å; H119-Y146 WeakPolarHBondContact CE1-CD2 3.41Å; H119-Y146 AromaticContact CE1-CE2 3.26Å; H119-Y146 WeakPolarHBondContact CE1-CE2 3.38Å; H119-Y146 AromaticContact CG-CE2 3.91Å; H119-Y146 PolarHBondContact N-OH 3.09Å; H119-Y146 AromaticContact ND1-CE2 3.57Å; H119-Y146 AromaticContact NE2-CD2 3.58Å; H119-Y146 AromaticContact NE2-CE2 3.4Å; H119-Y146 WeakPolarHBondContact NE2-CE2 3.49Å; H119-Y146 WeakPolarHBondContact O-CE2 3.23Å; H119-Y146 PolarHBondContact O-OH 3.46Å
120I97.9Very high95.5Very high73 Ų7343.8 Ų43.837%0.37425%0.252SS..  trans-136.8151.2169.861.5167.9000110.3N142 Y182I120-N142 VanDerWaalsContact CA-OD1 3.27Å; I120-N142 WeakPolarHBondContact CA-OD1 3.14Å; I120-Y182 HydrophobicContact CD1-CE2 4.12Å; I120-Y182 HydrophobicContact CG2-CE2 4.28Å
121G96Very high95.4Very high4 Ų445 Ų454%0.04125%0.245CC..PPolyproline II helixtrans-70163.4167.900000112T123 N142G121-T123 PolarHBondContact O-N 3.31Å; G121-T123 VanDerWaalsContact O-N 3.12Å; G121-N142 PolarHBondContact N-OD1 2.68Å
122P93Very high95.3Very high66 Ų6648.3 Ų48.343%0.42926%0.263SS..PPolyproline II helixtrans-58.1117.3170.7-22.435.1000110.6H134P122-H134 PolarHBondContact O-CE1 2.81Å; P122-H134 PolarHBondContact O-NE2 2.82Å
123T90.2Very high95.2Very high17 Ų1754 Ų5410%0.10429%0.289CS..PPolyproline II helixtrans-101.3135.6175.1-59.60000110.2G121 Y182 K225G121-T123 PolarHBondContact O-N 3.31Å; G121-T123 VanDerWaalsContact O-N 3.12Å; T123-Y182 VanDerWaalsContact CG2-CB 3.41Å; T123-Y182 HydrophobicContact CG2-CD2 4.33Å; T123-Y182 HydrophobicContact CG2-CG 3.98Å; T123-Y182 WeakPolarHBondContact OG1-CD2 3.28Å; T123-K225 WeakPolarHBondContact O-CD 3.46Å; T123-K225 WeakPolarHBondContact O-CE 3.41Å; T123-K225 PolarHBondContact O-NZ 2.98Å
124T85.7Confident95.1Very high91 Ų9154.5 Ų54.556%0.55829%0.291SS*.PPolyproline II helixtrans-79.7148.3168.353.20000111.1F178T124-F178 VanDerWaalsContact O-O 3.12Å
125F89.1Confident95Very high54 Ų5454.5 Ų54.524%0.23729%0.294CS..  trans-111.689.5170.5-158.8-80.4000108F178 T179 K225 V226 V229 Y283F125-F178 CarbonylContact C-O 3.4Å; F125-F178 VanDerWaalsContact CA-O 3.29Å; F125-F178 WeakPolarHBondContact CA-O 3.48Å; F125-F178 HydrophobicContact CD1-CB 3.49Å; F125-F178 VanDerWaalsContact CD1-CB 3.49Å; F125-F178 HydrophobicContact CD1-CD1 4.49Å; F125-F178 AromaticContact CD1-CG 3.99Å; F125-F178 HydrophobicContact CD1-CG 3.99Å; F125-F178 HydrophobicContact CD2-CB 4.32Å; F125-F178 HydrophobicContact CE1-CB 3.32Å; F125-F178 HydrophobicContact CE1-CD1 4.44Å; F125-F178 AromaticContact CE1-CD2 3.95Å; F125-F178 HydrophobicContact CE1-CD2 3.95Å; F125-F178 AromaticContact CE1-CG 3.63Å; F125-F178 HydrophobicContact CE1-CG 3.63Å; F125-F178 HydrophobicContact CE2-CB 4.22Å; F125-F178 HydrophobicContact CG-CB 3.99Å; F125-F178 HydrophobicContact CZ-CB 3.74Å; F125-F178 HydrophobicContact CZ-CD2 4.42Å; F125-F178 HydrophobicContact CZ-CG 4.32Å; F125-T179 HydrophobicContact CD2-CG2 3.6Å; F125-T179 HydrophobicContact CE2-CG2 3.61Å; F125-K225 HydrophobicContact CB-CB 4Å; F125-V226 HydrophobicContact CD2-CG1 4.39Å; F125-V226 HydrophobicContact CE2-CG1 4.07Å; F125-V226 HydrophobicContact CZ-CG1 4.47Å; F125-V229 HydrophobicContact CD1-CB 4.28Å; F125-V229 HydrophobicContact CD1-CG1 4.03Å; F125-V229 HydrophobicContact CD1-CG2 4.31Å; F125-V229 HydrophobicContact CE1-CB 3.92Å; F125-V229 HydrophobicContact CE1-CG1 3.49Å; F125-V229 VanDerWaalsContact CE1-CG1 3.49Å; F125-V229 HydrophobicContact CE1-CG2 4.45Å; F125-Y283 HydrophobicContact CE1-CD1 4.39Å; F125-Y283 HydrophobicContact CE1-CE1 4.46Å; F125-Y283 HydrophobicContact CZ-CD1 4.24Å; F125-Y283 AromaticContact CZ-CE1 3.88Å; F125-Y283 HydrophobicContact CZ-CE1 3.88Å
126G90.8Very high95Very high26 Ų2661.5 Ų61.527%0.26832%0.32SS..SBendtrans-170.7159.2-167.200000112W128 F178G126-W128 PolarHBondContact O-N 3.46Å; G126-F178 PolarHBondContact N-O 3.3Å; G126-F178 CarbonylContact O-C 3.44Å; G126-F178 VanDerWaalsContact O-CA 3.23Å; G126-F178 WeakPolarHBondContact O-CA 3.2Å
127M92.1Very high95Very high86 Ų8665.4 Ų65.442%0.42434%0.335SS..  trans-56.7142.1170.5-73-59.7-172.400109.7E129 F178 Y285M127-E129 PolarHBondContact O-N 2.86Å; M127-F178 HydrophobicContact CE-CE1 4.01Å; M127-F178 HydrophobicContact CE-CZ 3.8Å; M127-F178 HydrophobicContact CG-CE1 4.1Å; M127-F178 HydrophobicContact SD-CE1 4.16Å; M127-F178 HydrophobicContact SD-CZ 4.42Å; M127-Y285 HydrophobicContact CE-CD1 3.74Å; M127-Y285 HydrophobicContact CE-CD2 3.76Å; M127-Y285 HydrophobicContact CE-CE1 3.78Å; M127-Y285 HydrophobicContact CE-CE2 3.79Å; M127-Y285 HydrophobicContact CE-CG 3.74Å; M127-Y285 HydrophobicContact CG-CD2 4.14Å; M127-Y285 HydrophobicContact CG-CE2 3.47Å; M127-Y285 VanDerWaalsContact CG-CE2 3.47Å
128W94.6Very high94.9Very high118 Ų11865.4 Ų65.445%0.44734%0.335SS..  trans-81.3118.6-179.7-177.958.1000109.9G126 G130 D131 V132 L180G126-W128 PolarHBondContact O-N 3.46Å; W128-G130 VanDerWaalsContact C-N 3.35Å; W128-D131 PolarHBondContact NE1-O 3.34Å; W128-V132 HydrophobicContact CZ2-CG2 4.17Å; W128-L180 HydrophobicContact CB-CB 4.22Å; W128-L180 HydrophobicContact CB-CD1 4.05Å; W128-L180 HydrophobicContact CD2-CD1 4.31Å; W128-L180 HydrophobicContact CD2-CD2 4.35Å; W128-L180 HydrophobicContact CE3-CD1 3.98Å; W128-L180 HydrophobicContact CE3-CD2 4.45Å; W128-L180 HydrophobicContact CG-CD1 4.39Å
129E93.9Very high94.9Very high188 Ų18867 Ų6788%0.87934%0.342SS*.  trans-97.819.9-177.5-59.9-176.7154.800112.6M127M127-E129 PolarHBondContact O-N 2.86Å
130G95.1Very high94.9Very high39 Ų3969.7 Ų69.740%0.40235%0.354SS..  trans88.617.2176.300000115.5W128 V132W128-G130 VanDerWaalsContact C-N 3.35Å; G130-V132 VanDerWaalsContact C-N 3.32Å; G130-V132 PolarHBondContact O-N 2.82Å
131D95Very high94.9Very high87 Ų8766.4 Ų66.447%0.46534%0.337SS..  trans-70.686.2175.3-170-11.2000111.6W128 E133 H134 T135W128-D131 PolarHBondContact NE1-O 3.34Å; D131-E133 PolarHBondContact OD1-N 2.94Å; D131-H134 HydrophobicContact CB-CB 4.26Å; D131-H134 WeakPolarHBondContact OD1-CB 3.37Å; D131-H134 PolarHBondContact OD1-N 3.05Å; D131-H134 WeakPolarHBondContact OD2-CB 3.47Å; D131-T135 PolarHBondContact O-N 2.87Å; D131-T135 PolarHBondContact O-OG1 3.29Å
132V97.1Very high95.1Very high75 Ų7566.2 Ų66.246%0.45534%0.335SS..Hα-helixtrans-70.6-33.6179.5173.90000111.6W128 G130 T135 R136W128-V132 HydrophobicContact CZ2-CG2 4.17Å; G130-V132 VanDerWaalsContact C-N 3.32Å; G130-V132 PolarHBondContact O-N 2.82Å; V132-T135 WeakPolarHBondContact O-CB 3.5Å; V132-T135 PolarHBondContact O-N 2.84Å; V132-R136 PolarHBondContact O-N 2.96Å
133E97.5Very high95.4Very high119 Ų11964.5 Ų64.556%0.55632%0.321SS*.Hα-helixtrans-74.8-40-176.4-71-54.6116.800111.7D131 T135 R136 W137D131-E133 PolarHBondContact OD1-N 2.94Å; E133-T135 VanDerWaalsContact C-N 3.27Å; E133-T135 PolarHBondContact O-N 3.05Å; E133-R136 PolarHBondContact O-N 3.3Å; E133-R136 IonicContact OE1-CZ 3.63Å; E133-R136 IonicContact OE1-NE 3.17Å; E133-R136 PolarHBondContact OE1-NE 2.89Å; E133-R136 VanDerWaalsContact OE1-NE 3.17Å; E133-R136 IonicContact OE1-NH2 3.15Å; E133-R136 PolarHBondContact OE1-NH2 3.16Å; E133-R136 VanDerWaalsContact OE1-NH2 3.15Å; E133-R136 IonicContact OE2-NE 3.55Å; E133-W137 WeakPolarHBondContact O-CB 3.22Å; E133-W137 PolarHBondContact O-N 3.14Å
134H96.4Very high95.8Very high43 Ų4367.6 Ų67.620%0.19934%0.337CS..Hα-helixtrans-60.8-39.7167.6-179.666.6000111.5P122 D131 R136 W137 L138P122-H134 PolarHBondContact O-CE1 2.81Å; P122-H134 PolarHBondContact O-NE2 2.82Å; D131-H134 HydrophobicContact CB-CB 4.26Å; D131-H134 WeakPolarHBondContact OD1-CB 3.37Å; D131-H134 PolarHBondContact OD1-N 3.05Å; D131-H134 WeakPolarHBondContact OD2-CB 3.47Å; H134-R136 PolarHBondContact O-N 2.88Å; H134-W137 PolarHBondContact O-N 2.75Å; H134-L138 WeakPolarHBondContact O-CB 3.45Å; H134-L138 PolarHBondContact O-N 3.32Å
135T97.4Very high96.4Very high27 Ų2763.4 Ų63.417%0.16631%0.311CS..Hα-helixtrans-61.1-44.9176.5-580000111.5D131 V132 E133 L138 M139 P181D131-T135 PolarHBondContact O-N 2.87Å; D131-T135 PolarHBondContact O-OG1 3.29Å; V132-T135 WeakPolarHBondContact O-CB 3.5Å; V132-T135 PolarHBondContact O-N 2.84Å; E133-T135 VanDerWaalsContact C-N 3.27Å; E133-T135 PolarHBondContact O-N 3.05Å; T135-L138 PolarHBondContact O-N 2.89Å; T135-M139 WeakPolarHBondContact O-CG 3.31Å; T135-M139 PolarHBondContact O-N 3.41Å; T135-P181 HydrophobicContact CG2-CB 4.14Å; T135-P181 WeakPolarHBondContact OG1-CG 3.3Å
136R98.1Very high96.9Very high146 Ų14660.8 Ų60.855%0.55130%0.299SS*.Hα-helixtrans-62.1-45.6175.5-173.5-172-48.3-64.4-5.2111.7V132 E133 H134 L138 M139 K140V132-R136 PolarHBondContact O-N 2.96Å; E133-R136 PolarHBondContact O-N 3.3Å; E133-R136 IonicContact OE1-CZ 3.63Å; E133-R136 IonicContact OE1-NE 3.17Å; E133-R136 PolarHBondContact OE1-NE 2.89Å; E133-R136 VanDerWaalsContact OE1-NE 3.17Å; E133-R136 IonicContact OE1-NH2 3.15Å; E133-R136 PolarHBondContact OE1-NH2 3.16Å; E133-R136 VanDerWaalsContact OE1-NH2 3.15Å; E133-R136 IonicContact OE2-NE 3.55Å; H134-R136 PolarHBondContact O-N 2.88Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-L138 PolarHBondContact O-N 2.81Å; R136-M139 WeakPolarHBondContact O-CB 3.16Å; R136-M139 PolarHBondContact O-N 3.03Å; R136-K140 PolarHBondContact O-N 3.4Å
137W98.3Very high97.2Very high83 Ų8361.3 Ų61.331%0.31430%0.296SS..Hα-helixtrans-60.5-44176.7179.188.8000111.4A93 E133 H134 M139 K140 V141A93-W137 HydrophobicContact CB-CZ2 4.08Å; A93-W137 VanDerWaalsContact CB-NE1 3.29Å; E133-W137 WeakPolarHBondContact O-CB 3.22Å; E133-W137 PolarHBondContact O-N 3.14Å; H134-W137 PolarHBondContact O-N 2.75Å; W137-M139 VanDerWaalsContact C-N 3.34Å; W137-M139 PolarHBondContact O-N 2.85Å; W137-K140 WeakPolarHBondContact O-CA 3.47Å; W137-K140 VanDerWaalsContact O-CB 3.28Å; W137-K140 WeakPolarHBondContact O-CB 3.35Å; W137-K140 PolarHBondContact O-N 3.06Å; W137-V141 HydrophobicContact CD2-CG2 4.12Å; W137-V141 HydrophobicContact CE3-CG2 4.35Å; W137-V141 HydrophobicContact CH2-CB 4.46Å; W137-V141 HydrophobicContact CH2-CG2 3.79Å; W137-V141 HydrophobicContact CZ2-CG2 3.59Å; W137-V141 HydrophobicContact CZ3-CG2 4.2Å; W137-V141 WeakPolarHBondContact O-CG2 3.48Å; W137-V141 PolarHBondContact O-N 3.35Å
138L98.1Very high97.6Very high0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-66.7-36.4178.6-163.866.1000111.7H134 T135 R136 K140 V141 N142 P181 T185H134-L138 WeakPolarHBondContact O-CB 3.45Å; H134-L138 PolarHBondContact O-N 3.32Å; T135-L138 PolarHBondContact O-N 2.89Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-L138 PolarHBondContact O-N 2.81Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.47Å; L138-V141 PolarHBondContact O-N 3.2Å; L138-N142 WeakPolarHBondContact CD1-ND2 3.2Å; L138-N142 VanDerWaalsContact O-CB 3.28Å; L138-N142 WeakPolarHBondContact O-CB 3.25Å; L138-N142 PolarHBondContact O-N 2.68Å; L138-P181 HydrophobicContact CD2-CB 3.88Å; L138-T185 HydrophobicContact CB-CG2 4.35Å; L138-T185 HydrophobicContact CD2-CG2 4.18Å; L138-T185 HydrophobicContact CG-CG2 3.93Å
139M98.6Very high97.8Very high52 Ų5254.4 Ų54.426%0.25627%0.267SS..Hα-helixtrans-62.1-36.2170.1-74.7-63.8-63.800112.2T135 R136 W137 F143 L144 T185 A188T135-M139 WeakPolarHBondContact O-CG 3.31Å; T135-M139 PolarHBondContact O-N 3.41Å; R136-M139 WeakPolarHBondContact O-CB 3.16Å; R136-M139 PolarHBondContact O-N 3.03Å; W137-M139 VanDerWaalsContact C-N 3.34Å; W137-M139 PolarHBondContact O-N 2.85Å; M139-F143 HydrophobicContact CE-CB 4.16Å; M139-F143 HydrophobicContact CE-CD1 3.59Å; M139-F143 HydrophobicContact CE-CE1 4.23Å; M139-F143 HydrophobicContact CE-CG 4.02Å; M139-F143 VanDerWaalsContact O-CB 3.31Å; M139-F143 WeakPolarHBondContact O-CB 3.45Å; M139-F143 PolarHBondContact O-N 3.33Å; M139-L144 PolarHBondContact O-N 2.96Å; M139-T185 HydrophobicContact CG-CG2 4.19Å; M139-T185 HydrophobicContact SD-CG2 3.53Å; M139-T185 VanDerWaalsContact SD-CG2 3.53Å; M139-A188 HydrophobicContact CE-CB 4.01Å
140K98.4Very high98Very high69 Ų6945.7 Ų45.730%0.323%0.227SC..Iπ-helixtrans-62.5-49.4173.9-166.9178.7-174.4-175.70111.1A93 R136 W137 L138 L144 S145A93-K140 VanDerWaalsContact O-CD 3.31Å; A93-K140 WeakPolarHBondContact O-CD 3.45Å; A93-K140 WeakPolarHBondContact O-CE 3.42Å; A93-K140 PolarHBondContact O-NZ 2.89Å; R136-K140 PolarHBondContact O-N 3.4Å; W137-K140 WeakPolarHBondContact O-CA 3.47Å; W137-K140 VanDerWaalsContact O-CB 3.28Å; W137-K140 WeakPolarHBondContact O-CB 3.35Å; W137-K140 PolarHBondContact O-N 3.06Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.47Å; K140-L144 PolarHBondContact O-N 3Å; K140-S145 PolarHBondContact O-N 3.45Å
141V98.7Very high98.2Very high5 Ų553.1 Ų53.13%0.0324%0.243CC..Iπ-helixtrans-75.6-40.2-174.5177.20000114M92 A93 H119 W137 L138 S145M92-V141 HydrophobicContact CB-CG1 4.24Å; A93-V141 HydrophobicContact CB-CG2 3.63Å; H119-V141 PolarHBondContact CD2-O 3.27Å; H119-V141 VanDerWaalsContact CD2-O 3.3Å; H119-V141 PolarHBondContact NE2-O 3.12Å; W137-V141 HydrophobicContact CD2-CG2 4.12Å; W137-V141 HydrophobicContact CE3-CG2 4.35Å; W137-V141 HydrophobicContact CH2-CB 4.46Å; W137-V141 HydrophobicContact CH2-CG2 3.79Å; W137-V141 HydrophobicContact CZ2-CG2 3.59Å; W137-V141 HydrophobicContact CZ3-CG2 4.2Å; W137-V141 WeakPolarHBondContact O-CG2 3.48Å; W137-V141 PolarHBondContact O-N 3.35Å; L138-V141 PolarHBondContact O-N 3.2Å; V141-S145 PolarHBondContact O-OG 2.93Å
142N98.7Very high98.4Very high0 Ų054.2 Ų54.20%024%0.241CC..Iπ-helixtrans-95.9-12-171.8-67.88.6000112.9I120 G121 L138 T185 L189I120-N142 VanDerWaalsContact CA-OD1 3.27Å; I120-N142 WeakPolarHBondContact CA-OD1 3.14Å; G121-N142 PolarHBondContact N-OD1 2.68Å; L138-N142 WeakPolarHBondContact CD1-ND2 3.2Å; L138-N142 VanDerWaalsContact O-CB 3.28Å; L138-N142 WeakPolarHBondContact O-CB 3.25Å; L138-N142 PolarHBondContact O-N 2.68Å; N142-T185 HydrophobicContact CB-CG2 3.96Å; N142-T185 WeakPolarHBondContact CB-OG1 3.48Å; N142-T185 PolarHBondContact ND2-OG1 3.48Å; N142-L189 WeakPolarHBondContact O-CD1 3.36Å; N142-L189 WeakPolarHBondContact O-CD2 3.4Å
143F98.8Very high98.4Very high30 Ų3050.7 Ų50.713%0.13222%0.219CC..Iπ-helixtrans-133.4-58.1-172.5176.2-109.3000112.8M139 S145 Y146 I147 A188 L189 F192M139-F143 HydrophobicContact CE-CB 4.16Å; M139-F143 HydrophobicContact CE-CD1 3.59Å; M139-F143 HydrophobicContact CE-CE1 4.23Å; M139-F143 HydrophobicContact CE-CG 4.02Å; M139-F143 VanDerWaalsContact O-CB 3.31Å; M139-F143 WeakPolarHBondContact O-CB 3.45Å; M139-F143 PolarHBondContact O-N 3.33Å; F143-S145 PolarHBondContact O-N 3.49Å; F143-Y146 WeakPolarHBondContact O-CB 3.33Å; F143-Y146 PolarHBondContact O-N 3.31Å; F143-I147 HydrophobicContact CD1-CD1 4.19Å; F143-I147 HydrophobicContact CD2-CD1 4.32Å; F143-I147 HydrophobicContact CE1-CD1 3.63Å; F143-I147 HydrophobicContact CE2-CD1 3.75Å; F143-I147 HydrophobicContact CE2-CG1 4.4Å; F143-I147 HydrophobicContact CZ-CD1 3.39Å; F143-I147 HydrophobicContact CZ-CG1 4.48Å; F143-I147 WeakPolarHBondContact O-CG1 3.48Å; F143-I147 PolarHBondContact O-N 3.03Å; F143-I147 VanDerWaalsContact O-N 3.15Å; F143-A188 HydrophobicContact CD1-CB 4.32Å; F143-A188 HydrophobicContact CD2-CB 3.6Å; F143-A188 HydrophobicContact CE1-CB 4.34Å; F143-A188 VanDerWaalsContact CE2-C 3.42Å; F143-A188 HydrophobicContact CE2-CB 3.64Å; F143-A188 VanDerWaalsContact CE2-O 3.3Å; F143-A188 WeakPolarHBondContact CE2-O 3.38Å; F143-A188 HydrophobicContact CG-CB 3.95Å; F143-A188 HydrophobicContact CZ-CB 4Å; F143-L189 HydrophobicContact CD2-CD2 3.9Å; F143-L189 HydrophobicContact CD2-CG 4.22Å; F143-F192 HydrophobicContact CE2-CB 3.67Å; F143-F192 HydrophobicContact CE2-CG 4.21Å; F143-F192 HydrophobicContact CZ-CB 4.05Å; F143-F192 HydrophobicContact CZ-CD2 4.31Å; F143-F192 HydrophobicContact CZ-CG 4.37Å
144L98.8Very high98.5Very high82 Ų8246.3 Ų46.343%0.42920%0.2SC..Iπ-helixtrans-66.7-41.4-176.3-64.4177000112.5M139 K140 Y146 I147 Q148M139-L144 PolarHBondContact O-N 2.96Å; K140-L144 PolarHBondContact O-N 3Å; L144-Y146 VanDerWaalsContact C-N 3.26Å; L144-Y146 PolarHBondContact O-N 3.38Å; L144-I147 PolarHBondContact O-N 3.01Å; L144-Q148 WeakPolarHBondContact O-CG 3.29Å; L144-Q148 PolarHBondContact O-N 2.95Å
145S98.9Very high98.6Very high2 Ų248.6 Ų48.61%0.01422%0.219CC..Hα-helixtrans-57.6-39.3173.463.70000111.9H119 K140 V141 F143 I147 Q148 M149H119-S145 PolarHBondContact NE2-OG 3.28Å; K140-S145 PolarHBondContact O-N 3.45Å; V141-S145 PolarHBondContact O-OG 2.93Å; F143-S145 PolarHBondContact O-N 3.49Å; S145-I147 PolarHBondContact O-N 3.2Å; S145-Q148 PolarHBondContact O-N 3.15Å; S145-M149 VanDerWaalsContact O-CG 3.27Å; S145-M149 WeakPolarHBondContact O-CG 3.49Å; S145-M149 PolarHBondContact O-N 2.53Å
146Y98.9Very high98.7Very high0 Ų047.9 Ų47.90%022%0.215CC..Hα-helixtrans-62.9-43.5178.1-83.8-135.9000111L117 N118 H119 F143 L144 A150 V166 L189 F193L117-Y146 HydrophobicContact CB-CD1 3.37Å; L117-Y146 HydrophobicContact CB-CD2 4.37Å; L117-Y146 HydrophobicContact CB-CE1 3.28Å; L117-Y146 HydrophobicContact CB-CE2 4.3Å; L117-Y146 HydrophobicContact CB-CG 3.93Å; L117-Y146 HydrophobicContact CD1-CD1 3.7Å; L117-Y146 HydrophobicContact CD1-CE1 4.48Å; L117-Y146 HydrophobicContact CD1-CG 3.87Å; L117-Y146 HydrophobicContact CG-CD1 4.13Å; L117-Y146 HydrophobicContact CG-CE1 4.47Å; L117-Y146 HydrophobicContact CG-CG 4.38Å; L117-Y146 VanDerWaalsContact O-CE1 3.23Å; L117-Y146 WeakPolarHBondContact O-CE1 3.42Å; L117-Y146 PolarHBondContact O-OH 2.92Å; L117-Y146 VanDerWaalsContact O-OH 3.05Å; N118-Y146 VanDerWaalsContact CA-OH 3.24Å; N118-Y146 WeakPolarHBondContact CA-OH 3.33Å; N118-Y146 PolarHBondContact N-OH 3.24Å; N118-Y146 VanDerWaalsContact N-OH 3.16Å; H119-Y146 AromaticContact CD2-CE2 3.78Å; H119-Y146 AromaticContact CE1-CD2 3.45Å; H119-Y146 VanDerWaalsContact CE1-CD2 3.45Å; H119-Y146 WeakPolarHBondContact CE1-CD2 3.41Å; H119-Y146 AromaticContact CE1-CE2 3.26Å; H119-Y146 WeakPolarHBondContact CE1-CE2 3.38Å; H119-Y146 AromaticContact CG-CE2 3.91Å; H119-Y146 PolarHBondContact N-OH 3.09Å; H119-Y146 AromaticContact ND1-CE2 3.57Å; H119-Y146 AromaticContact NE2-CD2 3.58Å; H119-Y146 AromaticContact NE2-CE2 3.4Å; H119-Y146 WeakPolarHBondContact NE2-CE2 3.49Å; H119-Y146 WeakPolarHBondContact O-CE2 3.23Å; H119-Y146 PolarHBondContact O-OH 3.46Å; F143-Y146 WeakPolarHBondContact O-CB 3.33Å; F143-Y146 PolarHBondContact O-N 3.31Å; L144-Y146 VanDerWaalsContact C-N 3.26Å; L144-Y146 PolarHBondContact O-N 3.38Å; Y146-A150 WeakPolarHBondContact O-CB 3.29Å; Y146-A150 PolarHBondContact O-N 2.72Å; Y146-V166 HydrophobicContact CD1-CG1 4.08Å; Y146-V166 HydrophobicContact CE1-CG1 4.1Å; Y146-L189 HydrophobicContact CD1-CD1 4.02Å; Y146-L189 HydrophobicContact CD1-CD2 3.38Å; Y146-L189 HydrophobicContact CD1-CG 4.38Å; Y146-L189 HydrophobicContact CE1-CD1 3.84Å; Y146-L189 HydrophobicContact CE1-CD2 4.08Å; Y146-L189 HydrophobicContact CG-CD2 3.81Å; Y146-F193 HydrophobicContact CD1-CE2 4.31Å
147I98.8Very high98.7Very high37 Ų3741 Ų4119%0.1919%0.189CC..Hα-helixtrans-62.6-48176.6-65.1174.1000110.4F143 L144 S145 A150 W151 F192F143-I147 HydrophobicContact CD1-CD1 4.19Å; F143-I147 HydrophobicContact CD2-CD1 4.32Å; F143-I147 HydrophobicContact CE1-CD1 3.63Å; F143-I147 HydrophobicContact CE2-CD1 3.75Å; F143-I147 HydrophobicContact CE2-CG1 4.4Å; F143-I147 HydrophobicContact CZ-CD1 3.39Å; F143-I147 HydrophobicContact CZ-CG1 4.48Å; F143-I147 WeakPolarHBondContact O-CG1 3.48Å; F143-I147 PolarHBondContact O-N 3.03Å; F143-I147 VanDerWaalsContact O-N 3.15Å; L144-I147 PolarHBondContact O-N 3.01Å; S145-I147 PolarHBondContact O-N 3.2Å; I147-A150 PolarHBondContact O-N 2.9Å; I147-W151 WeakPolarHBondContact O-CB 3.38Å; I147-W151 PolarHBondContact O-N 3.4Å; I147-F192 HydrophobicContact CB-CE1 4.37Å; I147-F192 HydrophobicContact CB-CZ 4.29Å; I147-F192 HydrophobicContact CD1-CD1 4.19Å; I147-F192 HydrophobicContact CD1-CD2 3.64Å; I147-F192 HydrophobicContact CD1-CE1 4.2Å; I147-F192 HydrophobicContact CD1-CE2 3.63Å; I147-F192 HydrophobicContact CD1-CG 3.93Å; I147-F192 HydrophobicContact CD1-CZ 3.92Å; I147-F192 HydrophobicContact CG1-CD1 3.83Å; I147-F192 HydrophobicContact CG1-CD2 4.18Å; I147-F192 HydrophobicContact CG1-CE1 3.67Å; I147-F192 HydrophobicContact CG1-CE2 4.02Å; I147-F192 HydrophobicContact CG1-CG 4.1Å; I147-F192 HydrophobicContact CG1-CZ 3.77Å; I147-F192 HydrophobicContact CG2-CE1 4.15Å; I147-F192 HydrophobicContact CG2-CE2 4.2Å; I147-F192 HydrophobicContact CG2-CZ 3.65Å
148Q98.7Very high98.7Very high59 Ų5940.2 Ų40.228%0.27619%0.188SC..Hα-helixtrans-58.4-51.8179.3-70.7175.913.900111.1E95 P98 L144 S145 A150 W151 R152E95-Q148 PolarHBondContact O-OE1 2.81Å; P98-Q148 HydrophobicContact CB-CB 3.97Å; L144-Q148 WeakPolarHBondContact O-CG 3.29Å; L144-Q148 PolarHBondContact O-N 2.95Å; S145-Q148 PolarHBondContact O-N 3.15Å; Q148-A150 PolarHBondContact O-N 3.31Å; Q148-W151 PolarHBondContact O-N 3.18Å; Q148-R152 WeakPolarHBondContact O-CB 3.31Å; Q148-R152 PolarHBondContact O-N 3.2Å
149M98.9Very high98.7Very high0 Ų048.1 Ų48.10%023%0.225CC..Hα-helixtrans-61.2-43.3178.7-65.7-172.182.200112.3L37 T39 M92 P98 V101 V102 L115 L117 S145 R152 A153L37-M149 HydrophobicContact CD2-CE 3.91Å; T39-M149 HydrophobicContact CG2-CE 3.64Å; T39-M149 HydrophobicContact CG2-SD 3.82Å; M92-M149 HydrophobicContact CE-CE 4.35Å; M92-M149 HydrophobicContact CE-SD 4.05Å; M92-M149 HydrophobicContact SD-SD 3.94Å; P98-M149 HydrophobicContact CB-CG 3.71Å; V101-M149 HydrophobicContact CB-CE 4.14Å; V101-M149 HydrophobicContact CG1-CE 3.62Å; V102-M149 HydrophobicContact CG2-CB 3.86Å; V102-M149 HydrophobicContact CG2-CE 3.71Å; V102-M149 HydrophobicContact CG2-CG 4.03Å; L115-M149 HydrophobicContact CD1-CE 4.39Å; L115-M149 HydrophobicContact CD2-CB 4.24Å; L117-M149 HydrophobicContact CD2-CB 3.94Å; L117-M149 HydrophobicContact CD2-CG 4.49Å; L117-M149 HydrophobicContact CD2-SD 3.87Å; S145-M149 VanDerWaalsContact O-CG 3.27Å; S145-M149 WeakPolarHBondContact O-CG 3.49Å; S145-M149 PolarHBondContact O-N 2.53Å; M149-R152 PolarHBondContact O-N 2.89Å; M149-A153 VanDerWaalsContact O-CB 3.27Å; M149-A153 WeakPolarHBondContact O-CB 3.47Å; M149-A153 PolarHBondContact O-N 2.83Å
150A98.9Very high98.7Very high5 Ų547.1 Ų47.14%0.04122%0.224CC..Hα-helixtrans-62.4-46.9178.400000111.5L117 Y146 I147 Q148 R152 A153 L154 L164 F193L117-A150 HydrophobicContact CD1-CB 4.43Å; Y146-A150 WeakPolarHBondContact O-CB 3.29Å; Y146-A150 PolarHBondContact O-N 2.72Å; I147-A150 PolarHBondContact O-N 2.9Å; Q148-A150 PolarHBondContact O-N 3.31Å; A150-R152 PolarHBondContact O-N 3.15Å; A150-A153 PolarHBondContact O-N 2.93Å; A150-L154 WeakPolarHBondContact O-CB 3.45Å; A150-L154 PolarHBondContact O-N 2.91Å; A150-L164 HydrophobicContact CB-CD1 4.25Å; A150-L164 HydrophobicContact CB-CD2 3.78Å; A150-F193 HydrophobicContact CB-CE1 3.73Å; A150-F193 HydrophobicContact CB-CZ 4.05Å
151W98.7Very high98.7Very high194 Ų19450 Ų5074%0.73524%0.237SC*.Hα-helixtrans-60.5-45.5176.9180-112000111.7I147 Q148 A153 L154I147-W151 WeakPolarHBondContact O-CB 3.38Å; I147-W151 PolarHBondContact O-N 3.4Å; Q148-W151 PolarHBondContact O-N 3.18Å; W151-A153 PolarHBondContact O-N 2.81Å; W151-L154 HydrophobicContact CE3-CD2 4.28Å; W151-L154 HydrophobicContact CZ3-CD2 4.25Å; W151-L154 PolarHBondContact O-N 2.97Å
152R98.8Very high98.7Very high111 Ų11150 Ų5042%0.41924%0.238SC..Hα-helixtrans-65.2-37.7-179.8-17361.2-176.4148.1-3.3112.7V102 D103 Q148 M149 A150V102-R152 HydrophobicContact CB-CB 4.29Å; V102-R152 HydrophobicContact CB-CG 3.89Å; V102-R152 HydrophobicContact CG1-CB 4.11Å; V102-R152 HydrophobicContact CG1-CG 3.72Å; V102-R152 HydrophobicContact CG2-CB 4.46Å; D103-R152 VanDerWaalsContact CG-NH2 3.29Å; D103-R152 IonicContact OD1-CZ 2.75Å; D103-R152 IonicContact OD1-NE 2.7Å; D103-R152 PolarHBondContact OD1-NE 3.26Å; D103-R152 IonicContact OD1-NH2 2.9Å; D103-R152 PolarHBondContact OD1-NH2 3.45Å; D103-R152 IonicContact OD2-CZ 3.1Å; D103-R152 IonicContact OD2-NE 3.11Å; D103-R152 IonicContact OD2-NH2 2.76Å; D103-R152 PolarHBondContact OD2-NH2 2.79Å; D103-R152 VanDerWaalsContact OD2-NH2 3.11Å; Q148-R152 WeakPolarHBondContact O-CB 3.31Å; Q148-R152 PolarHBondContact O-N 3.2Å; M149-R152 PolarHBondContact O-N 2.89Å; A150-R152 PolarHBondContact O-N 3.15Å
153A98.9Very high98.7Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-81.1-21.1-179.900000113.9V102 L112 L115 M149 A150 W151 P155 S156 L157V102-A153 HydrophobicContact CG1-CB 3.9Å; L112-A153 HydrophobicContact CD2-CB 3.97Å; L115-A153 HydrophobicContact CD2-CB 3.61Å; M149-A153 VanDerWaalsContact O-CB 3.27Å; M149-A153 WeakPolarHBondContact O-CB 3.47Å; M149-A153 PolarHBondContact O-N 2.83Å; A150-A153 PolarHBondContact O-N 2.93Å; W151-A153 PolarHBondContact O-N 2.81Å; A153-P155 VanDerWaalsContact C-CD 3.49Å; A153-S156 PolarHBondContact O-N 3.48Å; A153-L157 HydrophobicContact CB-CD1 4.18Å; A153-L157 HydrophobicContact CB-CG 4.42Å; A153-L157 PolarHBondContact O-N 3.36Å
154L98.8Very high98.8Very high27 Ų2748.9 Ų48.914%0.14123%0.233CC..Hα-helixtrans-51.9-45.1-170.6-174.563.8000113.9A150 W151 S156 L157 E158 L200 V207A150-L154 WeakPolarHBondContact O-CB 3.45Å; A150-L154 PolarHBondContact O-N 2.91Å; W151-L154 HydrophobicContact CE3-CD2 4.28Å; W151-L154 HydrophobicContact CZ3-CD2 4.25Å; W151-L154 PolarHBondContact O-N 2.97Å; L154-S156 VanDerWaalsContact C-N 3.31Å; L154-S156 PolarHBondContact O-N 3.26Å; L154-L157 PolarHBondContact O-N 2.74Å; L154-E158 HydrophobicContact CD1-CG 4.48Å; L154-E158 WeakPolarHBondContact O-CG 3.45Å; L154-E158 PolarHBondContact O-N 3.38Å; L154-L200 HydrophobicContact CD1-CD1 4.27Å; L154-L200 HydrophobicContact CD1-CD2 4.22Å; L154-L200 HydrophobicContact CD2-CD2 4.37Å; L154-V207 HydrophobicContact CD1-CB 4.44Å; L154-V207 HydrophobicContact CD1-CG1 4.32Å; L154-V207 HydrophobicContact CD1-CG2 4.11Å
155P98.7Very high98.8Very high92 Ų9245 Ų4560%0.59721%0.212SC*.Hα-helixtrans-60-38.1178.7-24.735.7000113.8A153 E158 Q159A153-P155 VanDerWaalsContact C-CD 3.49Å; P155-E158 PolarHBondContact O-N 2.97Å; P155-Q159 PolarHBondContact O-N 3.39Å
156S98.8Very high98.8Very high12 Ų1244.9 Ų44.98%0.08421%0.211CC..Hα-helixtrans-74.1-37.4178.5-166.40000111.6L106 G111 L112 A153 L154 E158 Q159 S160L106-S156 WeakPolarHBondContact CD2-OG 3.28Å; G111-S156 WeakPolarHBondContact CA-OG 3.31Å; L112-S156 PolarHBondContact N-OG 2.92Å; A153-S156 PolarHBondContact O-N 3.48Å; L154-S156 VanDerWaalsContact C-N 3.31Å; L154-S156 PolarHBondContact O-N 3.26Å; S156-E158 VanDerWaalsContact C-N 3.32Å; S156-E158 PolarHBondContact O-N 3.31Å; S156-Q159 PolarHBondContact O-N 2.91Å; S156-S160 PolarHBondContact O-N 2.96Å; S156-S160 PolarHBondContact O-OG 2.99Å; S156-S160 VanDerWaalsContact O-OG 3.07Å
157L98.9Very high98.8Very high1 Ų145.2 Ų45.21%0.00521%0.213CC..Hα-helixtrans-63-37.6173.4-65.1175000111.5L112 L115 A153 L154 S160 K161 G162 L164 V207L112-L157 HydrophobicContact CD2-CD2 4.39Å; L112-L157 HydrophobicContact CG-CD2 4.36Å; L115-L157 HydrophobicContact CB-CD1 4.27Å; A153-L157 HydrophobicContact CB-CD1 4.18Å; A153-L157 HydrophobicContact CB-CG 4.42Å; A153-L157 PolarHBondContact O-N 3.36Å; L154-L157 PolarHBondContact O-N 2.74Å; L157-S160 WeakPolarHBondContact CA-OG 3.47Å; L157-S160 PolarHBondContact O-N 3.37Å; L157-S160 PolarHBondContact O-OG 2.88Å; L157-K161 CarbonylContact O-C 3.54Å; L157-K161 WeakPolarHBondContact O-CA 3.28Å; L157-K161 PolarHBondContact O-N 3.25Å; L157-G162 PolarHBondContact O-N 3.01Å; L157-L164 HydrophobicContact CD1-CB 4.3Å; L157-V207 VanDerWaalsContact C-CG2 3.47Å; L157-V207 HydrophobicContact CB-CG1 4.15Å; L157-V207 HydrophobicContact CB-CG2 3.78Å; L157-V207 HydrophobicContact CD1-CG1 4.41Å
158E98.6Very high98.7Very high66 Ų6643.5 Ų43.531%0.30821%0.205SC..Hα-helixtrans-62.3-45.6174-73.7-72.4-175.500111.5L154 P155 S156 S160 K161 S205 N206 V207L154-E158 HydrophobicContact CD1-CG 4.48Å; L154-E158 WeakPolarHBondContact O-CG 3.45Å; L154-E158 PolarHBondContact O-N 3.38Å; P155-E158 PolarHBondContact O-N 2.97Å; S156-E158 VanDerWaalsContact C-N 3.32Å; S156-E158 PolarHBondContact O-N 3.31Å; E158-S160 VanDerWaalsContact C-N 3.31Å; E158-S160 PolarHBondContact O-N 2.62Å; E158-K161 PolarHBondContact O-N 2.85Å; E158-S205 WeakPolarHBondContact OE1-CB 3.47Å; E158-S205 PolarHBondContact OE1-OG 2.92Å; E158-S205 PolarHBondContact OE2-OG 3.04Å; E158-S205 VanDerWaalsContact OE2-OG 3.08Å; E158-N206 PolarHBondContact OE2-N 3.43Å; E158-V207 HydrophobicContact CB-CG2 4.33Å; E158-V207 HydrophobicContact CG-CG2 3.8Å
159Q98.5Very high98.7Very high166 Ų16641.3 Ų41.378%0.77620%0.196SC*.Hα-helixtrans-61.7-39.7179-172.8-179.39.200112.1P155 S156P155-Q159 PolarHBondContact O-N 3.39Å; S156-Q159 PolarHBondContact O-N 2.91Å
160S98.5Very high98.5Very high32 Ų3242.9 Ų42.922%0.22420%0.204CC..Hα-helixtrans-84.9-9179.459.50000114.2L112 D113 S156 L157 E158 G162L112-S160 WeakPolarHBondContact O-CB 3.27Å; L112-S160 PolarHBondContact O-OG 2.88Å; D113-S160 WeakPolarHBondContact OD1-CB 3.37Å; S156-S160 PolarHBondContact O-N 2.96Å; S156-S160 PolarHBondContact O-OG 2.99Å; S156-S160 VanDerWaalsContact O-OG 3.07Å; L157-S160 WeakPolarHBondContact CA-OG 3.47Å; L157-S160 PolarHBondContact O-N 3.37Å; L157-S160 PolarHBondContact O-OG 2.88Å; E158-S160 VanDerWaalsContact C-N 3.31Å; E158-S160 PolarHBondContact O-N 2.62Å; S160-G162 PolarHBondContact O-N 3.43Å; S160-G162 PolarHBondContact OG-N 3.15Å
161K98.5Very high98.3Very high130 Ų13044 Ų4457%0.56521%0.209SC*.THydrogen-bonded Turntrans54.837.3-164.8-49.9179.9-178.21770111.3L157 E158 N206 R251L157-K161 CarbonylContact O-C 3.54Å; L157-K161 WeakPolarHBondContact O-CA 3.28Å; L157-K161 PolarHBondContact O-N 3.25Å; E158-K161 PolarHBondContact O-N 2.85Å; K161-N206 CarbonylContact C-O 3.52Å; K161-N206 WeakPolarHBondContact CA-O 3.5Å; K161-N206 HydrophobicContact CB-CB 3.88Å; K161-N206 HydrophobicContact CD-CB 4.19Å; K161-N206 HydrophobicContact CG-CB 3.73Å; K161-R251 PolarHBondContact O-NH1 3.08Å
162G98.6Very high98.2Very high5 Ų534.8 Ų34.85%0.05218%0.175CC..  trans-72.6-168.2-170.300000115.2D113 L157 S160 S208 R251D113-G162 CarbonylContact O-C 3.55Å; D113-G162 WeakPolarHBondContact O-CA 3.4Å; L157-G162 PolarHBondContact O-N 3.01Å; S160-G162 PolarHBondContact O-N 3.43Å; S160-G162 PolarHBondContact OG-N 3.15Å; G162-S208 PolarHBondContact O-N 3.06Å; G162-R251 PolarHBondContact O-NH1 2.86Å; G162-R251 VanDerWaalsContact O-NH1 3.14Å
163S98.8Very high98Very high1 Ų132.5 Ų32.51%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-131.1129.3-175.1-56.40000111.6D113 Y114 L115 S208 G248D113-S163 PolarHBondContact O-N 3.08Å; Y114-S163 WeakPolarHBondContact CA-O 3.4Å; L115-S163 PolarHBondContact N-O 3.09Å; S163-S208 WeakPolarHBondContact CA-OG 3.34Å; S163-S208 VanDerWaalsContact CB-OG 3.25Å; S163-S208 WeakPolarHBondContact CB-OG 3.14Å; S163-S208 PolarHBondContact OG-OG 3.04Å; S163-G248 WeakPolarHBondContact CB-O 3.33Å; S163-G248 PolarHBondContact OG-O 2.82Å
164L98.9Very high97.6Very high4 Ų432.9 Ų32.92%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-98.7116.4169.3176.261000109.2L115 L117 A150 L157 V166 F193 S208 I209 S210L115-L164 HydrophobicContact CB-CD1 3.92Å; L115-L164 HydrophobicContact CD2-CD1 3.71Å; L115-L164 HydrophobicContact CG-CD1 3.77Å; L117-L164 HydrophobicContact CD1-CD1 3.84Å; L117-L164 HydrophobicContact CG-CD1 4.19Å; A150-L164 HydrophobicContact CB-CD1 4.25Å; A150-L164 HydrophobicContact CB-CD2 3.78Å; L157-L164 HydrophobicContact CD1-CB 4.3Å; L164-V166 HydrophobicContact CG-CG2 4.23Å; L164-F193 HydrophobicContact CD2-CD1 3.87Å; L164-F193 HydrophobicContact CD2-CE1 3.64Å; L164-S208 PolarHBondContact N-O 3.22Å; L164-I209 HydrophobicContact CB-CG1 4.21Å; L164-I209 HydrophobicContact CD2-CD1 4.36Å; L164-I209 HydrophobicContact CD2-CG1 4.2Å; L164-I209 CarbonylContact O-C 3.59Å; L164-I209 WeakPolarHBondContact O-CA 3.39Å; L164-S210 PolarHBondContact O-N 2.7Å
165V98.9Very high97.1Very high0 Ų035 Ų350%019%0.185CC..EExtended strand (participates in β ladder)trans-111.7119.4-176.6-174.50000109.4L115 V116 L117 I244L115-V165 PolarHBondContact O-N 2.85Å; V116-V165 HydrophobicContact CG1-CB 4.38Å; V116-V165 HydrophobicContact CG1-CG1 4.42Å; V116-V165 HydrophobicContact CG2-CB 4.25Å; V116-V165 HydrophobicContact CG2-CG2 4.49Å; L117-V165 PolarHBondContact N-O 2.83Å; V165-I244 HydrophobicContact CG1-CG2 3.56Å
166V98.9Very high96.7Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-113.3110.1-174.8-1780000109.4L117 Y146 L164 S168 L189 F193 S210 C212L117-V166 HydrophobicContact CD1-CG2 4.46Å; Y146-V166 HydrophobicContact CD1-CG1 4.08Å; Y146-V166 HydrophobicContact CE1-CG1 4.1Å; L164-V166 HydrophobicContact CG-CG2 4.23Å; V166-S168 PolarHBondContact O-N 2.77Å; V166-L189 HydrophobicContact CG1-CB 4.4Å; V166-L189 HydrophobicContact CG1-CD1 4.28Å; V166-L189 HydrophobicContact CG1-CD2 4.3Å; V166-F193 HydrophobicContact CB-CD2 4.48Å; V166-F193 HydrophobicContact CG1-CD2 3.89Å; V166-F193 HydrophobicContact CG1-CE2 4.24Å; V166-F193 HydrophobicContact CG1-CG 4.45Å; V166-F193 HydrophobicContact CG2-CB 4.34Å; V166-F193 HydrophobicContact CG2-CD1 3.91Å; V166-F193 HydrophobicContact CG2-CD2 3.89Å; V166-F193 HydrophobicContact CG2-CE1 4.21Å; V166-F193 HydrophobicContact CG2-CE2 4.16Å; V166-F193 HydrophobicContact CG2-CG 3.76Å; V166-F193 HydrophobicContact CG2-CZ 4.31Å; V166-S210 PolarHBondContact N-O 3.42Å; V166-C212 PolarHBondContact O-N 3.27Å
167V98.8Very high96.3Very high7 Ų733 Ų334%0.04217%0.171CC..EExtended strand (participates in β ladder)trans-80.1109.4176.9-174.80000110M49 L117 N118 K186 L214 I244M49-V167 HydrophobicContact CE-CG2 4.49Å; L117-V167 PolarHBondContact O-N 3.37Å; N118-V167 HydrophobicContact CB-CB 4.19Å; N118-V167 HydrophobicContact CB-CG2 3.76Å; V167-K186 PolarHBondContact O-NZ 3.33Å; V167-L214 HydrophobicContact CG1-CD1 3.65Å; V167-L214 HydrophobicContact CG1-CG 4.28Å; V167-I244 HydrophobicContact CG2-CD1 4.15Å; V167-I244 HydrophobicContact CG2-CG2 4.29Å
168S98.3Very high96Very high2 Ų233.7 Ų33.71%0.01417%0.174CC..  trans-105.4-156.9176.8-164.60000110.4V166 N190 C212V166-S168 PolarHBondContact O-N 2.77Å; S168-N190 WeakPolarHBondContact CB-OD1 3.31Å; S168-N190 PolarHBondContact OG-ND2 2.8Å; S168-N190 PolarHBondContact OG-OD1 3.37Å; S168-C212 CarbonylContact C-O 3.46Å; S168-C212 VanDerWaalsContact C-O 3.24Å; S168-C212 VanDerWaalsContact CA-O 3.28Å; S168-C212 WeakPolarHBondContact CA-O 3.48Å; S168-C212 WeakPolarHBondContact CB-O 3.33Å; S168-C212 PolarHBondContact N-O 3.35Å
169S97.4Very high95.7Very high13 Ų1330.9 Ų30.99%0.09116%0.161CC..  trans-154.1157.6-178.3179.60000109.9L171 G172 Y182 L214S169-L171 PolarHBondContact O-N 3.42Å; S169-L171 VanDerWaalsContact O-N 3.11Å; S169-L171 PolarHBondContact OG-N 2.83Å; S169-L171 VanDerWaalsContact OG-N 3.14Å; S169-G172 WeakPolarHBondContact O-CA 3.31Å; S169-G172 PolarHBondContact O-N 3.29Å; S169-Y182 WeakPolarHBondContact CB-OH 3.48Å; S169-L214 CarbonylContact C-O 3.57Å; S169-L214 WeakPolarHBondContact CA-O 3.42Å; S169-L214 PolarHBondContact OG-O 2.65Å
170L95.6Very high95.6Very high32 Ų3226.7 Ų26.717%0.16814%0.144CC..G310 helixtrans-48.5-34.4162.8-177.160.9000110.9G172 K173 M174 L214 T261 T265L170-G172 PolarHBondContact O-N 3.35Å; L170-K173 PolarHBondContact O-N 2.87Å; L170-M174 HydrophobicContact CD1-CG 4.1Å; L170-M174 HydrophobicContact CD1-SD 3.69Å; L170-M174 HydrophobicContact CG-SD 4.31Å; L170-M174 PolarHBondContact O-N 3.29Å; L170-L214 PolarHBondContact N-O 3.14Å; L170-T261 HydrophobicContact CD2-CG2 4.4Å; L170-T265 HydrophobicContact CD1-CG2 3.59Å
171L94.9Very high95.5Very high28 Ų2825.6 Ų25.615%0.14714%0.136CC..G310 helixtrans-71.4-5.3177.5-56-170.1000114.8S169 M174 N176 T179 Y182 S183 F187S169-L171 PolarHBondContact O-N 3.42Å; S169-L171 VanDerWaalsContact O-N 3.11Å; S169-L171 PolarHBondContact OG-N 2.83Å; S169-L171 VanDerWaalsContact OG-N 3.14Å; L171-M174 CarbonylContact C-O 3.57Å; L171-M174 VanDerWaalsContact CA-O 3.31Å; L171-M174 WeakPolarHBondContact CA-O 3.45Å; L171-N176 HydrophobicContact CD2-CB 3.6Å; L171-N176 WeakPolarHBondContact CD2-ND2 3.16Å; L171-T179 HydrophobicContact CD1-CG2 4.01Å; L171-T179 WeakPolarHBondContact CD1-OG1 3.48Å; L171-Y182 HydrophobicContact CB-CD1 4.37Å; L171-Y182 HydrophobicContact CB-CE1 4.04Å; L171-Y182 HydrophobicContact CD1-CD1 4.14Å; L171-Y182 HydrophobicContact CD1-CE1 3.99Å; L171-Y182 HydrophobicContact CG-CE1 4.5Å; L171-S183 WeakPolarHBondContact O-CA 3.47Å; L171-S183 WeakPolarHBondContact O-CB 3.37Å; L171-S183 PolarHBondContact O-OG 2.88Å; L171-F187 VanDerWaalsContact O-CD2 3.32Å; L171-F187 WeakPolarHBondContact O-CD2 3.32Å; L171-F187 WeakPolarHBondContact O-CE2 3.37Å
172G95.9Very high95.4Very high1 Ų120.9 Ų20.91%0.0112%0.115CC..G310 helixtrans-94.5-4.3167.600000113.9S169 L170 F187 N190S169-G172 WeakPolarHBondContact O-CA 3.31Å; S169-G172 PolarHBondContact O-N 3.29Å; L170-G172 PolarHBondContact O-N 3.35Å; G172-F187 VanDerWaalsContact O-CD1 3.29Å; G172-F187 WeakPolarHBondContact O-CD1 3.41Å; G172-F187 WeakPolarHBondContact O-CE1 3.47Å; G172-F187 WeakPolarHBondContact O-CG 3.47Å; G172-N190 PolarHBondContact O-ND2 3.08Å
173K94.3Very high95.4Very high63 Ų6321 Ų2127%0.27411%0.114SC..THydrogen-bonded Turntrans-116.8-25.9175.1-64.4-74.2-172.4169.70111.4L170 F187 T213 T265 K268L170-K173 PolarHBondContact O-N 2.87Å; K173-F187 WeakPolarHBondContact O-CZ 3.46Å; K173-T213 HydrophobicContact CG-CG2 4.22Å; K173-T265 HydrophobicContact CB-CG2 3.61Å; K173-T265 HydrophobicContact CG-CG2 4.14Å; K173-K268 WeakPolarHBondContact O-CE 3.29Å
174M91Very high95.3Very high8 Ų823.5 Ų23.54%0.03913%0.132CC..SBendtrans-131119.4-178.7-57.2-172.952.800109.6L170 L171 N176 V264 T265 K268 I275 I279L170-M174 HydrophobicContact CD1-CG 4.1Å; L170-M174 HydrophobicContact CD1-SD 3.69Å; L170-M174 HydrophobicContact CG-SD 4.31Å; L170-M174 PolarHBondContact O-N 3.29Å; L171-M174 CarbonylContact C-O 3.57Å; L171-M174 VanDerWaalsContact CA-O 3.31Å; L171-M174 WeakPolarHBondContact CA-O 3.45Å; M174-N176 PolarHBondContact O-N 2.81Å; M174-N176 PolarHBondContact O-OD1 3.49Å; M174-V264 HydrophobicContact CE-CG1 3.9Å; M174-V264 HydrophobicContact SD-CB 4.47Å; M174-V264 HydrophobicContact SD-CG1 3.59Å; M174-V264 VanDerWaalsContact SD-CG1 3.59Å; M174-T265 HydrophobicContact CG-CG2 4.2Å; M174-T265 HydrophobicContact SD-CG2 4.19Å; M174-K268 HydrophobicContact CB-CD 4.3Å; M174-K268 HydrophobicContact CE-CB 4.24Å; M174-K268 HydrophobicContact CE-CD 4.43Å; M174-K268 HydrophobicContact CG-CD 3.69Å; M174-K268 HydrophobicContact SD-CB 4.49Å; M174-I275 HydrophobicContact CE-CG2 3.44Å; M174-I275 VanDerWaalsContact CE-CG2 3.44Å; M174-I279 HydrophobicContact CE-CD1 4.09Å
175P88.5Confident95.3Very high71 Ų7123.3 Ų23.346%0.46113%0.131SC..  trans-74.9125.4177.631.1-30.8000109.2F187P175-F187 HydrophobicContact CB-CE2 4.32Å
176N90.3Very high95.3Very high24 Ų2423.4 Ų23.413%0.12813%0.131CC..  trans-121.4152.6177.2-69.425.1000110.8L171 M174 Y283L171-N176 HydrophobicContact CD2-CB 3.6Å; L171-N176 WeakPolarHBondContact CD2-ND2 3.16Å; M174-N176 PolarHBondContact O-N 2.81Å; M174-N176 PolarHBondContact O-OD1 3.49Å; N176-Y283 WeakPolarHBondContact CB-OH 3.33Å; N176-Y283 PolarHBondContact ND2-OH 3.36Å
177P91Very high95.2Very high39 Ų3927.1 Ų27.125%0.25315%0.147SC..THydrogen-bonded Turntrans-57.8169.2169.5-24.133.9000113T179 I279 Y283P177-T179 PolarHBondContact O-N 2.94Å; P177-I279 HydrophobicContact CG-CG2 4.09Å; P177-Y283 HydrophobicContact CB-CD2 4.45Å; P177-Y283 HydrophobicContact CG-CD2 4.23Å; P177-Y283 HydrophobicContact CG-CE2 4.18Å
178F91.3Very high95.2Very high16 Ų1628 Ų287%0.0716%0.156CC..THydrogen-bonded Turntrans67.8-13.7176.5-53.2-73.6000117.2T124 F125 G126 M127 Y283 Y285T124-F178 VanDerWaalsContact O-O 3.12Å; F125-F178 CarbonylContact C-O 3.4Å; F125-F178 VanDerWaalsContact CA-O 3.29Å; F125-F178 WeakPolarHBondContact CA-O 3.48Å; F125-F178 HydrophobicContact CD1-CB 3.49Å; F125-F178 VanDerWaalsContact CD1-CB 3.49Å; F125-F178 HydrophobicContact CD1-CD1 4.49Å; F125-F178 AromaticContact CD1-CG 3.99Å; F125-F178 HydrophobicContact CD1-CG 3.99Å; F125-F178 HydrophobicContact CD2-CB 4.32Å; F125-F178 HydrophobicContact CE1-CB 3.32Å; F125-F178 HydrophobicContact CE1-CD1 4.44Å; F125-F178 AromaticContact CE1-CD2 3.95Å; F125-F178 HydrophobicContact CE1-CD2 3.95Å; F125-F178 AromaticContact CE1-CG 3.63Å; F125-F178 HydrophobicContact CE1-CG 3.63Å; F125-F178 HydrophobicContact CE2-CB 4.22Å; F125-F178 HydrophobicContact CG-CB 3.99Å; F125-F178 HydrophobicContact CZ-CB 3.74Å; F125-F178 HydrophobicContact CZ-CD2 4.42Å; F125-F178 HydrophobicContact CZ-CG 4.32Å; G126-F178 PolarHBondContact N-O 3.3Å; G126-F178 CarbonylContact O-C 3.44Å; G126-F178 VanDerWaalsContact O-CA 3.23Å; G126-F178 WeakPolarHBondContact O-CA 3.2Å; M127-F178 HydrophobicContact CE-CE1 4.01Å; M127-F178 HydrophobicContact CE-CZ 3.8Å; M127-F178 HydrophobicContact CG-CE1 4.1Å; M127-F178 HydrophobicContact SD-CE1 4.16Å; M127-F178 HydrophobicContact SD-CZ 4.42Å; F178-Y283 AromaticContact CD2-CD1 3.47Å; F178-Y283 HydrophobicContact CD2-CD1 3.47Å; F178-Y283 VanDerWaalsContact CD2-CD1 3.47Å; F178-Y283 HydrophobicContact CD2-CD2 4.27Å; F178-Y283 AromaticContact CD2-CE1 4Å; F178-Y283 HydrophobicContact CD2-CE1 4Å; F178-Y283 AromaticContact CD2-CG 3.65Å; F178-Y283 HydrophobicContact CD2-CG 3.65Å; F178-Y283 AromaticContact CE2-CD1 3.71Å; F178-Y283 HydrophobicContact CE2-CD1 3.71Å; F178-Y283 HydrophobicContact CE2-CD2 4.03Å; F178-Y283 AromaticContact CE2-CG 3.4Å; F178-Y283 HydrophobicContact CE2-CG 3.4Å; F178-Y285 AromaticContact CE1-CD2 3.9Å; F178-Y285 HydrophobicContact CE1-CD2 3.9Å; F178-Y285 AromaticContact CZ-CD2 3.99Å; F178-Y285 HydrophobicContact CZ-CD2 3.99Å; F178-Y285 HydrophobicContact CZ-CG 4.2Å
179T93Very high95.2Very high7 Ų728 Ų284%0.04316%0.155CC..  trans-128.626.1-175.560.30000112.8F125 L171 P177 Y182 S183F125-T179 HydrophobicContact CD2-CG2 3.6Å; F125-T179 HydrophobicContact CE2-CG2 3.61Å; L171-T179 HydrophobicContact CD1-CG2 4.01Å; L171-T179 WeakPolarHBondContact CD1-OG1 3.48Å; P177-T179 PolarHBondContact O-N 2.94Å; T179-Y182 CarbonylContact O-C 3.4Å; T179-Y182 WeakPolarHBondContact O-CA 3.44Å; T179-Y182 WeakPolarHBondContact O-CB 3.49Å; T179-Y182 PolarHBondContact O-N 3.48Å; T179-S183 PolarHBondContact O-N 3.17Å; T179-S183 PolarHBondContact O-OG 3.28Å; T179-S183 PolarHBondContact OG1-OG 3.25Å; T179-S183 VanDerWaalsContact OG1-OG 3.09Å
180L95.3Very high95.3Very high78 Ų7828 Ų2841%0.40816%0.155SC..Hα-helixtrans-50.7-54.5-165.6-174.7167.3000113.4W128 Y182 S183 S184W128-L180 HydrophobicContact CB-CB 4.22Å; W128-L180 HydrophobicContact CB-CD1 4.05Å; W128-L180 HydrophobicContact CD2-CD1 4.31Å; W128-L180 HydrophobicContact CD2-CD2 4.35Å; W128-L180 HydrophobicContact CE3-CD1 3.98Å; W128-L180 HydrophobicContact CE3-CD2 4.45Å; W128-L180 HydrophobicContact CG-CD1 4.39Å; L180-Y182 VanDerWaalsContact C-N 3.31Å; L180-Y182 PolarHBondContact O-N 2.98Å; L180-S183 PolarHBondContact O-N 2.86Å; L180-S184 PolarHBondContact O-N 3.02Å; L180-S184 PolarHBondContact O-OG 3.5Å; L180-S184 VanDerWaalsContact O-OG 3.12Å
181P96.8Very high95.4Very high8 Ų828.5 Ų28.55%0.05217%0.168CC..Hα-helixtrans-60-39.6177.9-2636.5000113.4T135 L138 S184 T185T135-P181 HydrophobicContact CG2-CB 4.14Å; T135-P181 WeakPolarHBondContact OG1-CG 3.3Å; L138-P181 HydrophobicContact CD2-CB 3.88Å; P181-S184 WeakPolarHBondContact O-CB 3.42Å; P181-S184 PolarHBondContact O-N 3.29Å; P181-T185 WeakPolarHBondContact O-CG2 3.38Å; P181-T185 PolarHBondContact O-N 3.45Å
182Y97.3Very high95.6Very high32 Ų3230.9 Ų30.913%0.12518%0.177CC..Hα-helixtrans-65.8-46.7178.8168.7-94.4000112I120 T123 S169 L171 T179 L180 S184 T185 K186I120-Y182 HydrophobicContact CD1-CE2 4.12Å; I120-Y182 HydrophobicContact CG2-CE2 4.28Å; T123-Y182 VanDerWaalsContact CG2-CB 3.41Å; T123-Y182 HydrophobicContact CG2-CD2 4.33Å; T123-Y182 HydrophobicContact CG2-CG 3.98Å; T123-Y182 WeakPolarHBondContact OG1-CD2 3.28Å; S169-Y182 WeakPolarHBondContact CB-OH 3.48Å; L171-Y182 HydrophobicContact CB-CD1 4.37Å; L171-Y182 HydrophobicContact CB-CE1 4.04Å; L171-Y182 HydrophobicContact CD1-CD1 4.14Å; L171-Y182 HydrophobicContact CD1-CE1 3.99Å; L171-Y182 HydrophobicContact CG-CE1 4.5Å; T179-Y182 CarbonylContact O-C 3.4Å; T179-Y182 WeakPolarHBondContact O-CA 3.44Å; T179-Y182 WeakPolarHBondContact O-CB 3.49Å; T179-Y182 PolarHBondContact O-N 3.48Å; L180-Y182 VanDerWaalsContact C-N 3.31Å; L180-Y182 PolarHBondContact O-N 2.98Å; Y182-S184 VanDerWaalsContact C-N 3.3Å; Y182-S184 PolarHBondContact O-N 3.2Å; Y182-T185 PolarHBondContact O-N 3.3Å; Y182-T185 VanDerWaalsContact O-N 3.09Å; Y182-T185 PolarHBondContact O-OG1 3.44Å; Y182-K186 HydrophobicContact CD1-CG 4.43Å; Y182-K186 HydrophobicContact CD2-CG 4.48Å; Y182-K186 HydrophobicContact CE1-CG 3.92Å; Y182-K186 HydrophobicContact CE2-CD 4.3Å; Y182-K186 VanDerWaalsContact CE2-CE 3.49Å; Y182-K186 HydrophobicContact CE2-CG 3.99Å; Y182-K186 PolarHBondContact O-N 3.15Å; Y182-K186 VanDerWaalsContact O-N 3.09Å; Y182-K186 WeakPolarHBondContact OH-CE 3.42Å
183S97.3Very high95.7Very high6 Ų630.9 Ų30.94%0.04218%0.176CC..Hα-helixtrans-54.6-48.9174.9-68.40000110.2L171 T179 L180 T185 K186 F187L171-S183 WeakPolarHBondContact O-CA 3.47Å; L171-S183 WeakPolarHBondContact O-CB 3.37Å; L171-S183 PolarHBondContact O-OG 2.88Å; T179-S183 PolarHBondContact O-N 3.17Å; T179-S183 PolarHBondContact O-OG 3.28Å; T179-S183 PolarHBondContact OG1-OG 3.25Å; T179-S183 VanDerWaalsContact OG1-OG 3.09Å; L180-S183 PolarHBondContact O-N 2.86Å; S183-T185 VanDerWaalsContact C-N 3.28Å; S183-T185 PolarHBondContact O-N 3.01Å; S183-K186 PolarHBondContact O-N 3.28Å; S183-F187 WeakPolarHBondContact O-CD2 3.42Å; S183-F187 PolarHBondContact O-N 3.19Å
184S97.7Very high95.9Very high54 Ų5428.8 Ų28.838%0.37817%0.173SC..Hα-helixtrans-52.7-44.3176.1-58.40000112.5L180 P181 Y182 K186 F187 A188L180-S184 PolarHBondContact O-N 3.02Å; L180-S184 PolarHBondContact O-OG 3.5Å; L180-S184 VanDerWaalsContact O-OG 3.12Å; P181-S184 WeakPolarHBondContact O-CB 3.42Å; P181-S184 PolarHBondContact O-N 3.29Å; Y182-S184 VanDerWaalsContact C-N 3.3Å; Y182-S184 PolarHBondContact O-N 3.2Å; S184-K186 PolarHBondContact O-N 2.89Å; S184-F187 PolarHBondContact O-N 3.49Å; S184-A188 PolarHBondContact O-N 3.12Å
185T98.4Very high96.3Very high0 Ų031.6 Ų31.60%019%0.193CC..Hα-helixtrans-64.8-39.4178.774.20000112.7L138 M139 N142 P181 Y182 S183 A188 L189L138-T185 HydrophobicContact CB-CG2 4.35Å; L138-T185 HydrophobicContact CD2-CG2 4.18Å; L138-T185 HydrophobicContact CG-CG2 3.93Å; M139-T185 HydrophobicContact CG-CG2 4.19Å; M139-T185 HydrophobicContact SD-CG2 3.53Å; M139-T185 VanDerWaalsContact SD-CG2 3.53Å; N142-T185 HydrophobicContact CB-CG2 3.96Å; N142-T185 WeakPolarHBondContact CB-OG1 3.48Å; N142-T185 PolarHBondContact ND2-OG1 3.48Å; P181-T185 WeakPolarHBondContact O-CG2 3.38Å; P181-T185 PolarHBondContact O-N 3.45Å; Y182-T185 PolarHBondContact O-N 3.3Å; Y182-T185 VanDerWaalsContact O-N 3.09Å; Y182-T185 PolarHBondContact O-OG1 3.44Å; S183-T185 VanDerWaalsContact C-N 3.28Å; S183-T185 PolarHBondContact O-N 3.01Å; T185-A188 PolarHBondContact O-N 2.99Å; T185-L189 WeakPolarHBondContact O-CG 3.34Å; T185-L189 PolarHBondContact O-N 3.31Å
186K98.3Very high96.8Very high2 Ų229.7 Ų29.71%0.00918%0.179CC..Hα-helixtrans-74.4-32.4180-63.7-51.2-167.6177.60112.5V167 Y182 S183 S184 L189 N190V167-K186 PolarHBondContact O-NZ 3.33Å; Y182-K186 HydrophobicContact CD1-CG 4.43Å; Y182-K186 HydrophobicContact CD2-CG 4.48Å; Y182-K186 HydrophobicContact CE1-CG 3.92Å; Y182-K186 HydrophobicContact CE2-CD 4.3Å; Y182-K186 VanDerWaalsContact CE2-CE 3.49Å; Y182-K186 HydrophobicContact CE2-CG 3.99Å; Y182-K186 PolarHBondContact O-N 3.15Å; Y182-K186 VanDerWaalsContact O-N 3.09Å; Y182-K186 WeakPolarHBondContact OH-CE 3.42Å; S183-K186 PolarHBondContact O-N 3.28Å; S184-K186 PolarHBondContact O-N 2.89Å; K186-L189 HydrophobicContact CD-CD1 3.71Å; K186-N190 VanDerWaalsContact O-CG 3.31Å; K186-N190 PolarHBondContact O-N 2.96Å; K186-N190 VanDerWaalsContact O-N 3.14Å
187F98.6Very high97.2Very high78 Ų7832.6 Ų32.634%0.34219%0.189SC..Hα-helixtrans-63-44.5168.5-90.3-91000111.4L171 G172 K173 P175 S183 S184 L189 N190 G191L171-F187 VanDerWaalsContact O-CD2 3.32Å; L171-F187 WeakPolarHBondContact O-CD2 3.32Å; L171-F187 WeakPolarHBondContact O-CE2 3.37Å; G172-F187 VanDerWaalsContact O-CD1 3.29Å; G172-F187 WeakPolarHBondContact O-CD1 3.41Å; G172-F187 WeakPolarHBondContact O-CE1 3.47Å; G172-F187 WeakPolarHBondContact O-CG 3.47Å; K173-F187 WeakPolarHBondContact O-CZ 3.46Å; P175-F187 HydrophobicContact CB-CE2 4.32Å; S183-F187 WeakPolarHBondContact O-CD2 3.42Å; S183-F187 PolarHBondContact O-N 3.19Å; S184-F187 PolarHBondContact O-N 3.49Å; F187-L189 PolarHBondContact O-N 3.41Å; F187-N190 PolarHBondContact O-N 2.99Å; F187-G191 PolarHBondContact O-N 3.07Å
188A98.7Very high97.5Very high27 Ų2736.3 Ų36.322%0.22320%0.203CC..Hα-helixtrans-60.3-43.6177.300000112M139 F143 S184 T185 N190 G191 F192M139-A188 HydrophobicContact CE-CB 4.01Å; F143-A188 HydrophobicContact CD1-CB 4.32Å; F143-A188 HydrophobicContact CD2-CB 3.6Å; F143-A188 HydrophobicContact CE1-CB 4.34Å; F143-A188 VanDerWaalsContact CE2-C 3.42Å; F143-A188 HydrophobicContact CE2-CB 3.64Å; F143-A188 VanDerWaalsContact CE2-O 3.3Å; F143-A188 WeakPolarHBondContact CE2-O 3.38Å; F143-A188 HydrophobicContact CG-CB 3.95Å; F143-A188 HydrophobicContact CZ-CB 4Å; S184-A188 PolarHBondContact O-N 3.12Å; T185-A188 PolarHBondContact O-N 2.99Å; A188-N190 PolarHBondContact O-N 2.83Å; A188-G191 PolarHBondContact O-N 2.9Å; A188-F192 WeakPolarHBondContact O-CB 3.41Å; A188-F192 PolarHBondContact O-N 3.04Å
189L98.4Very high97.9Very high0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-56.7-48.9173.9-73.7177.5000112.1N142 F143 Y146 V166 T185 K186 F187 G191 F192 F193N142-L189 WeakPolarHBondContact O-CD1 3.36Å; N142-L189 WeakPolarHBondContact O-CD2 3.4Å; F143-L189 HydrophobicContact CD2-CD2 3.9Å; F143-L189 HydrophobicContact CD2-CG 4.22Å; Y146-L189 HydrophobicContact CD1-CD1 4.02Å; Y146-L189 HydrophobicContact CD1-CD2 3.38Å; Y146-L189 HydrophobicContact CD1-CG 4.38Å; Y146-L189 HydrophobicContact CE1-CD1 3.84Å; Y146-L189 HydrophobicContact CE1-CD2 4.08Å; Y146-L189 HydrophobicContact CG-CD2 3.81Å; V166-L189 HydrophobicContact CG1-CB 4.4Å; V166-L189 HydrophobicContact CG1-CD1 4.28Å; V166-L189 HydrophobicContact CG1-CD2 4.3Å; T185-L189 WeakPolarHBondContact O-CG 3.34Å; T185-L189 PolarHBondContact O-N 3.31Å; K186-L189 HydrophobicContact CD-CD1 3.71Å; F187-L189 PolarHBondContact O-N 3.41Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 3.45Å; L189-F192 PolarHBondContact O-N 3.34Å; L189-F193 HydrophobicContact CB-CD2 4.44Å; L189-F193 HydrophobicContact CD2-CD2 3.89Å; L189-F193 HydrophobicContact CD2-CE2 3.53Å; L189-F193 WeakPolarHBondContact O-CB 3.36Å; L189-F193 WeakPolarHBondContact O-CD2 3.43Å; L189-F193 PolarHBondContact O-N 3.33Å
190N98.3Very high98.1Very high15 Ų1540.4 Ų40.48%0.0822%0.222CC..Hα-helixtrans-62-40.9-178.8-71.1-8.6000112S168 G172 K186 F187 A188 G194 I211S168-N190 WeakPolarHBondContact CB-OD1 3.31Å; S168-N190 PolarHBondContact OG-ND2 2.8Å; S168-N190 PolarHBondContact OG-OD1 3.37Å; G172-N190 PolarHBondContact O-ND2 3.08Å; K186-N190 VanDerWaalsContact O-CG 3.31Å; K186-N190 PolarHBondContact O-N 2.96Å; K186-N190 VanDerWaalsContact O-N 3.14Å; F187-N190 PolarHBondContact O-N 2.99Å; A188-N190 PolarHBondContact O-N 2.83Å; N190-G194 PolarHBondContact O-N 3.19Å; N190-G194 VanDerWaalsContact O-N 3.1Å; N190-I211 VanDerWaalsContact OD1-CG2 3.29Å; N190-I211 WeakPolarHBondContact OD1-CG2 3.29Å
191G98.5Very high98.2Very high42 Ų4239.3 Ų39.343%0.43322%0.224SC..Hα-helixtrans-64-53.9175.300000112.1F187 A188 L189 S195F187-G191 PolarHBondContact O-N 3.07Å; A188-G191 PolarHBondContact O-N 2.9Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 3.45Å; G191-S195 PolarHBondContact O-N 2.8Å; G191-S195 PolarHBondContact O-OG 2.79Å
192F98.8Very high98.3Very high78 Ų7846.6 Ų46.634%0.34226%0.259SS..Hα-helixtrans-63.7-52.2-175.6-175.9-85.9000112.6F143 I147 A188 L189 G194 S195 L196F143-F192 HydrophobicContact CE2-CB 3.67Å; F143-F192 HydrophobicContact CE2-CG 4.21Å; F143-F192 HydrophobicContact CZ-CB 4.05Å; F143-F192 HydrophobicContact CZ-CD2 4.31Å; F143-F192 HydrophobicContact CZ-CG 4.37Å; I147-F192 HydrophobicContact CB-CE1 4.37Å; I147-F192 HydrophobicContact CB-CZ 4.29Å; I147-F192 HydrophobicContact CD1-CD1 4.19Å; I147-F192 HydrophobicContact CD1-CD2 3.64Å; I147-F192 HydrophobicContact CD1-CE1 4.2Å; I147-F192 HydrophobicContact CD1-CE2 3.63Å; I147-F192 HydrophobicContact CD1-CG 3.93Å; I147-F192 HydrophobicContact CD1-CZ 3.92Å; I147-F192 HydrophobicContact CG1-CD1 3.83Å; I147-F192 HydrophobicContact CG1-CD2 4.18Å; I147-F192 HydrophobicContact CG1-CE1 3.67Å; I147-F192 HydrophobicContact CG1-CE2 4.02Å; I147-F192 HydrophobicContact CG1-CG 4.1Å; I147-F192 HydrophobicContact CG1-CZ 3.77Å; I147-F192 HydrophobicContact CG2-CE1 4.15Å; I147-F192 HydrophobicContact CG2-CE2 4.2Å; I147-F192 HydrophobicContact CG2-CZ 3.65Å; A188-F192 WeakPolarHBondContact O-CB 3.41Å; A188-F192 PolarHBondContact O-N 3.04Å; L189-F192 PolarHBondContact O-N 3.34Å; F192-G194 VanDerWaalsContact C-N 3.34Å; F192-G194 PolarHBondContact O-N 2.89Å; F192-S195 PolarHBondContact O-N 3.14Å; F192-L196 HydrophobicContact CE1-CD2 4.28Å; F192-L196 WeakPolarHBondContact O-CB 3.49Å; F192-L196 PolarHBondContact O-N 2.77Å
193F98.8Very high98.3Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-74.5-26.7-176.4-72.8-72.1000112.6L117 Y146 A150 L164 V166 L189 L196 Y197 I209 I211L117-F193 HydrophobicContact CD1-CZ 4.12Å; Y146-F193 HydrophobicContact CD1-CE2 4.31Å; A150-F193 HydrophobicContact CB-CE1 3.73Å; A150-F193 HydrophobicContact CB-CZ 4.05Å; L164-F193 HydrophobicContact CD2-CD1 3.87Å; L164-F193 HydrophobicContact CD2-CE1 3.64Å; V166-F193 HydrophobicContact CB-CD2 4.48Å; V166-F193 HydrophobicContact CG1-CD2 3.89Å; V166-F193 HydrophobicContact CG1-CE2 4.24Å; V166-F193 HydrophobicContact CG1-CG 4.45Å; V166-F193 HydrophobicContact CG2-CB 4.34Å; V166-F193 HydrophobicContact CG2-CD1 3.91Å; V166-F193 HydrophobicContact CG2-CD2 3.89Å; V166-F193 HydrophobicContact CG2-CE1 4.21Å; V166-F193 HydrophobicContact CG2-CE2 4.16Å; V166-F193 HydrophobicContact CG2-CG 3.76Å; V166-F193 HydrophobicContact CG2-CZ 4.31Å; L189-F193 HydrophobicContact CB-CD2 4.44Å; L189-F193 HydrophobicContact CD2-CD2 3.89Å; L189-F193 HydrophobicContact CD2-CE2 3.53Å; L189-F193 WeakPolarHBondContact O-CB 3.36Å; L189-F193 WeakPolarHBondContact O-CD2 3.43Å; L189-F193 PolarHBondContact O-N 3.33Å; F193-L196 HydrophobicContact CD1-CD2 4.06Å; F193-L196 HydrophobicContact CE1-CD2 4.21Å; F193-Y197 WeakPolarHBondContact O-CB 3.36Å; F193-Y197 PolarHBondContact O-N 3.42Å; F193-I209 HydrophobicContact CB-CG2 4.27Å; F193-I211 HydrophobicContact CB-CD1 4.14Å; F193-I211 HydrophobicContact CB-CG1 4.38Å
194G98.3Very high98.3Very high19 Ų1960.5 Ų60.520%0.19632%0.32CS..Hα-helixtrans-64.2-44.8168.600000111.9N190 F192 Y197 H198N190-G194 PolarHBondContact O-N 3.19Å; N190-G194 VanDerWaalsContact O-N 3.1Å; F192-G194 VanDerWaalsContact C-N 3.34Å; F192-G194 PolarHBondContact O-N 2.89Å; G194-Y197 PolarHBondContact O-N 3.31Å; G194-H198 PolarHBondContact O-CD2 3.35Å; G194-H198 PolarHBondContact O-N 2.99Å
195S98.7Very high98.4Very high68 Ų6859 Ų5948%0.47631%0.309SS..Hα-helixtrans-64.2-45.4173.4-67.80000112.3G191 F192 Y197 H198 E199G191-S195 PolarHBondContact O-N 2.8Å; G191-S195 PolarHBondContact O-OG 2.79Å; F192-S195 PolarHBondContact O-N 3.14Å; S195-Y197 VanDerWaalsContact C-N 3.27Å; S195-Y197 PolarHBondContact O-N 3.09Å; S195-H198 PolarHBondContact O-N 3.33Å; S195-H198 VanDerWaalsContact O-N 3.09Å; S195-E199 PolarHBondContact O-N 3.42Å
196L98.6Very high98.3Very high31 Ų3163.1 Ų63.116%0.16233%0.331CS..Hα-helixtrans-59.1-38.8178.9-177.761.2000112F192 F193 H198 E199 L200 I209F192-L196 HydrophobicContact CE1-CD2 4.28Å; F192-L196 WeakPolarHBondContact O-CB 3.49Å; F192-L196 PolarHBondContact O-N 2.77Å; F193-L196 HydrophobicContact CD1-CD2 4.06Å; F193-L196 HydrophobicContact CE1-CD2 4.21Å; L196-H198 PolarHBondContact O-N 2.74Å; L196-E199 PolarHBondContact O-N 3.01Å; L196-L200 HydrophobicContact CD1-CD1 4.38Å; L196-L200 HydrophobicContact CD1-CD2 4.45Å; L196-L200 HydrophobicContact CD1-CG 4.06Å; L196-L200 HydrophobicContact CG-CD1 4.1Å; L196-L200 HydrophobicContact CG-CG 4.22Å; L196-L200 WeakPolarHBondContact O-CB 3.39Å; L196-L200 VanDerWaalsContact O-CG 3.31Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 2.82Å; L196-I209 HydrophobicContact CB-CD1 4.02Å; L196-I209 HydrophobicContact CD2-CD1 3.83Å; L196-I209 HydrophobicContact CG-CD1 3.68Å
197Y98.4Very high98.3Very high84 Ų8463.6 Ų63.633%0.32933%0.334SS..Hα-helixtrans-55.4-48.3173.9166-100.2000112.3F193 G194 S195 L200 A201 I209 L253F193-Y197 WeakPolarHBondContact O-CB 3.36Å; F193-Y197 PolarHBondContact O-N 3.42Å; G194-Y197 PolarHBondContact O-N 3.31Å; S195-Y197 VanDerWaalsContact C-N 3.27Å; S195-Y197 PolarHBondContact O-N 3.09Å; Y197-L200 PolarHBondContact O-N 3.4Å; Y197-A201 WeakPolarHBondContact O-CB 3.28Å; Y197-A201 PolarHBondContact O-N 3.09Å; Y197-I209 HydrophobicContact CD2-CB 4.49Å; Y197-L253 HydrophobicContact CD1-CD1 3.97Å; Y197-L253 HydrophobicContact CD1-CD2 4.1Å; Y197-L253 HydrophobicContact CD2-CD1 3.7Å; Y197-L253 HydrophobicContact CE1-CD1 4.26Å; Y197-L253 HydrophobicContact CE1-CD2 3.8Å; Y197-L253 HydrophobicContact CE2-CD1 3.99Å; Y197-L253 HydrophobicContact CG-CD1 3.68Å
198H98.4Very high98.3Very high118 Ų11860.3 Ų60.355%0.54632%0.321SS..Hα-helixtrans-64.8-41.8178.1-70.3-64.9000112.2G194 S195 L196 A201 M202G194-H198 PolarHBondContact O-CD2 3.35Å; G194-H198 PolarHBondContact O-N 2.99Å; S195-H198 PolarHBondContact O-N 3.33Å; S195-H198 VanDerWaalsContact O-N 3.09Å; L196-H198 PolarHBondContact O-N 2.74Å; H198-A201 PolarHBondContact O-N 3.4Å; H198-M202 WeakPolarHBondContact O-CG 3.39Å; H198-M202 PolarHBondContact O-N 2.78Å
199E98.6Very high98.3Very high102 Ų10259.1 Ų59.148%0.47731%0.311SS..Hα-helixtrans-63.5-42.6177.5-71.3-171.6-156.600112.7S195 L196 M202 K203S195-E199 PolarHBondContact O-N 3.42Å; L196-E199 PolarHBondContact O-N 3.01Å; E199-M202 PolarHBondContact O-N 3.18Å; E199-K203 WeakPolarHBondContact O-CG 3.41Å; E199-K203 PolarHBondContact O-N 3.42Å
200L98.3Very high98.3Very high6 Ų659.1 Ų59.13%0.03131%0.311CS..Hα-helixtrans-63.6-41.4175.8-72.1-178000111.3L154 L196 Y197 M202 K203 K204 S205 V207 I209L154-L200 HydrophobicContact CD1-CD1 4.27Å; L154-L200 HydrophobicContact CD1-CD2 4.22Å; L154-L200 HydrophobicContact CD2-CD2 4.37Å; L196-L200 HydrophobicContact CD1-CD1 4.38Å; L196-L200 HydrophobicContact CD1-CD2 4.45Å; L196-L200 HydrophobicContact CD1-CG 4.06Å; L196-L200 HydrophobicContact CG-CD1 4.1Å; L196-L200 HydrophobicContact CG-CG 4.22Å; L196-L200 WeakPolarHBondContact O-CB 3.39Å; L196-L200 VanDerWaalsContact O-CG 3.31Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 2.82Å; Y197-L200 PolarHBondContact O-N 3.4Å; L200-M202 PolarHBondContact O-N 2.7Å; L200-K203 CarbonylContact O-C 3.53Å; L200-K203 PolarHBondContact O-N 3.47Å; L200-K204 PolarHBondContact O-N 2.85Å; L200-K204 VanDerWaalsContact O-N 3.12Å; L200-S205 VanDerWaalsContact O-CB 3.22Å; L200-S205 WeakPolarHBondContact O-CB 3.32Å; L200-S205 PolarHBondContact O-N 3.02Å; L200-V207 HydrophobicContact CD1-CB 4.26Å; L200-V207 HydrophobicContact CD1-CG1 4.34Å; L200-I209 HydrophobicContact CD1-CD1 3.67Å; L200-I209 HydrophobicContact CD1-CG1 4.24Å
201A97.5Very high98.4Very high56 Ų5658.7 Ų58.746%0.46331%0.308SS..Hα-helixtrans-61.3-43.2174.700000112.1Y197 H198 K203 K204Y197-A201 WeakPolarHBondContact O-CB 3.28Å; Y197-A201 PolarHBondContact O-N 3.09Å; H198-A201 PolarHBondContact O-N 3.4Å; A201-K203 VanDerWaalsContact C-N 3.29Å; A201-K203 PolarHBondContact O-N 3.06Å; A201-K204 PolarHBondContact O-N 3.35Å
202M98.4Very high98.4Very high161 Ų16156.7 Ų56.779%0.79329%0.288SS*.Hα-helixtrans-62.6-36175.1-71.3173.364.300112.4H198 E199 L200 K204H198-M202 WeakPolarHBondContact O-CG 3.39Å; H198-M202 PolarHBondContact O-N 2.78Å; E199-M202 PolarHBondContact O-N 3.18Å; L200-M202 PolarHBondContact O-N 2.7Å; M202-K204 PolarHBondContact O-N 3.24Å
203K97.9Very high98.3Very high147 Ų14753 Ų5364%0.63927%0.271SS*.THydrogen-bonded Turntrans-75-2.7173.5-71.2174.4-178.9169.90113.7E199 L200 A201 S205E199-K203 WeakPolarHBondContact O-CG 3.41Å; E199-K203 PolarHBondContact O-N 3.42Å; L200-K203 CarbonylContact O-C 3.53Å; L200-K203 PolarHBondContact O-N 3.47Å; A201-K203 VanDerWaalsContact C-N 3.29Å; A201-K203 PolarHBondContact O-N 3.06Å; K203-S205 PolarHBondContact O-N 3.44Å
204K97.8Very high98.3Very high183 Ų18353.2 Ų53.280%0.79627%0.273SS*.THydrogen-bonded Turntrans56.432.8-173.7-52.6179.2-179.2178.70112.6L200 A201 M202L200-K204 PolarHBondContact O-N 2.85Å; L200-K204 VanDerWaalsContact O-N 3.12Å; A201-K204 PolarHBondContact O-N 3.35Å; M202-K204 PolarHBondContact O-N 3.24Å
205S98.2Very high98.1Very high22 Ų2253.1 Ų53.115%0.15427%0.272CS..  trans-60.1147.7171.6173.20000110.8E158 L200 K203 V207E158-S205 WeakPolarHBondContact OE1-CB 3.47Å; E158-S205 PolarHBondContact OE1-OG 2.92Å; E158-S205 PolarHBondContact OE2-OG 3.04Å; E158-S205 VanDerWaalsContact OE2-OG 3.08Å; L200-S205 VanDerWaalsContact O-CB 3.22Å; L200-S205 WeakPolarHBondContact O-CB 3.32Å; L200-S205 PolarHBondContact O-N 3.02Å; K203-S205 PolarHBondContact O-N 3.44Å; S205-V207 WeakPolarHBondContact OG-CB 3.29Å; S205-V207 PolarHBondContact OG-N 3.47Å
206N97Very high97.9Very high86 Ų8651.5 Ų51.546%0.4626%0.258SS..  trans-100.415170.7-71.7-77.3000112.3E158 K161 R251E158-N206 PolarHBondContact OE2-N 3.43Å; K161-N206 CarbonylContact C-O 3.52Å; K161-N206 WeakPolarHBondContact CA-O 3.5Å; K161-N206 HydrophobicContact CB-CB 3.88Å; K161-N206 HydrophobicContact CD-CB 4.19Å; K161-N206 HydrophobicContact CG-CB 3.73Å; N206-R251 PolarHBondContact O-NH2 2.89Å
207V98.7Very high97.8Very high12 Ų1250.5 Ų50.57%0.07325%0.252CS..  trans-83128.9172178.80000109L154 L157 E158 L200 S205L154-V207 HydrophobicContact CD1-CB 4.44Å; L154-V207 HydrophobicContact CD1-CG1 4.32Å; L154-V207 HydrophobicContact CD1-CG2 4.11Å; L157-V207 VanDerWaalsContact C-CG2 3.47Å; L157-V207 HydrophobicContact CB-CG1 4.15Å; L157-V207 HydrophobicContact CB-CG2 3.78Å; L157-V207 HydrophobicContact CD1-CG1 4.41Å; E158-V207 HydrophobicContact CB-CG2 4.33Å; E158-V207 HydrophobicContact CG-CG2 3.8Å; L200-V207 HydrophobicContact CD1-CB 4.26Å; L200-V207 HydrophobicContact CD1-CG1 4.34Å; S205-V207 WeakPolarHBondContact OG-CB 3.29Å; S205-V207 PolarHBondContact OG-N 3.47Å
208S98.5Very high97.7Very high9 Ų950 Ų506%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-89.5150169.664.60000111G162 S163 L164 R251G162-S208 PolarHBondContact O-N 3.06Å; S163-S208 WeakPolarHBondContact CA-OG 3.34Å; S163-S208 VanDerWaalsContact CB-OG 3.25Å; S163-S208 WeakPolarHBondContact CB-OG 3.14Å; S163-S208 PolarHBondContact OG-OG 3.04Å; L164-S208 PolarHBondContact N-O 3.22Å; S208-R251 PolarHBondContact OG-NH1 3.29Å
209I98.8Very high97.4Very high2 Ų245.6 Ų45.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-121.8128.2170.3-64.3177.6000107.6L164 F193 L196 Y197 L200 I211 L253L164-I209 HydrophobicContact CB-CG1 4.21Å; L164-I209 HydrophobicContact CD2-CD1 4.36Å; L164-I209 HydrophobicContact CD2-CG1 4.2Å; L164-I209 CarbonylContact O-C 3.59Å; L164-I209 WeakPolarHBondContact O-CA 3.39Å; F193-I209 HydrophobicContact CB-CG2 4.27Å; L196-I209 HydrophobicContact CB-CD1 4.02Å; L196-I209 HydrophobicContact CD2-CD1 3.83Å; L196-I209 HydrophobicContact CG-CD1 3.68Å; Y197-I209 HydrophobicContact CD2-CB 4.49Å; L200-I209 HydrophobicContact CD1-CD1 3.67Å; L200-I209 HydrophobicContact CD1-CG1 4.24Å; I209-I211 HydrophobicContact CG2-CG1 4.32Å; I209-L253 WeakPolarHBondContact O-CD1 3.48Å
210S98.8Very high97.1Very high0 Ų047.1 Ų47.10%025%0.248CC..EExtended strand (participates in β ladder)trans-117.5123.2174.7-61.10000109.8L164 V166 Q252 L253L164-S210 PolarHBondContact O-N 2.7Å; V166-S210 PolarHBondContact N-O 3.42Å; S210-Q252 WeakPolarHBondContact CA-O 3.43Å; S210-Q252 VanDerWaalsContact CB-O 3.28Å; S210-Q252 WeakPolarHBondContact CB-O 3.25Å; S210-Q252 PolarHBondContact OG-O 3.42Å; S210-L253 CarbonylContact C-O 3.24Å; S210-L253 WeakPolarHBondContact CA-O 3.47Å
211I98.7Very high96.7Very high6 Ų650 Ų503%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-104.2112175.4-57.1176.5000108.4N190 F193 I209 L253 D254 L255N190-I211 VanDerWaalsContact OD1-CG2 3.29Å; N190-I211 WeakPolarHBondContact OD1-CG2 3.29Å; F193-I211 HydrophobicContact CB-CD1 4.14Å; F193-I211 HydrophobicContact CB-CG1 4.38Å; I209-I211 HydrophobicContact CG2-CG1 4.32Å; I211-L253 PolarHBondContact N-O 3.02Å; I211-D254 WeakPolarHBondContact O-CA 3.38Å; I211-L255 PolarHBondContact O-N 3.17Å
212C98.6Very high96.4Very high0 Ų048.5 Ų48.50%026%0.257CS..EExtended strand (participates in β ladder)trans-98.399.7-174.6-58.10000111.2V166 S168 L214 I244 L255V166-C212 PolarHBondContact O-N 3.27Å; S168-C212 CarbonylContact C-O 3.46Å; S168-C212 VanDerWaalsContact C-O 3.24Å; S168-C212 VanDerWaalsContact CA-O 3.28Å; S168-C212 WeakPolarHBondContact CA-O 3.48Å; S168-C212 WeakPolarHBondContact CB-O 3.33Å; S168-C212 PolarHBondContact N-O 3.35Å; C212-L214 HydrophobicContact CB-CD2 4.49Å; C212-L214 PolarHBondContact O-N 3.23Å; C212-I244 HydrophobicContact CB-CG1 4.09Å; C212-L255 HydrophobicContact CB-CB 4.17Å; C212-L255 HydrophobicContact CB-CD2 4.06Å
213T98.1Very high96.1Very high0 Ų044.5 Ų44.50%024%0.237CC..EExtended strand (participates in β ladder)trans-83.6105.5176.7-59.60000109.9K173 L255 Y256 Y257K173-T213 HydrophobicContact CG-CG2 4.22Å; T213-L255 WeakPolarHBondContact CA-O 3.34Å; T213-L255 WeakPolarHBondContact CB-O 3.41Å; T213-L255 PolarHBondContact N-O 3.31Å; T213-Y256 HydrophobicContact CG2-CD1 3.83Å; T213-Y256 HydrophobicContact CG2-CE1 3.83Å; T213-Y256 WeakPolarHBondContact O-CA 3.32Å; T213-Y257 PolarHBondContact O-N 3.24Å
214L97.4Very high95.7Very high6 Ų643.1 Ų43.13%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-101.2139.9-179.7-51.2-176000112.4I45 V167 S169 L170 C212 I217 I244 L255 Y257I45-L214 HydrophobicContact CD1-CD1 3.61Å; V167-L214 HydrophobicContact CG1-CD1 3.65Å; V167-L214 HydrophobicContact CG1-CG 4.28Å; S169-L214 CarbonylContact C-O 3.57Å; S169-L214 WeakPolarHBondContact CA-O 3.42Å; S169-L214 PolarHBondContact OG-O 2.65Å; L170-L214 PolarHBondContact N-O 3.14Å; C212-L214 HydrophobicContact CB-CD2 4.49Å; C212-L214 PolarHBondContact O-N 3.23Å; L214-I217 HydrophobicContact CB-CD1 4.48Å; L214-I217 HydrophobicContact CB-CG1 4.26Å; L214-I217 HydrophobicContact CD1-CG1 4.3Å; L214-I244 HydrophobicContact CD1-CD1 3.94Å; L214-I244 HydrophobicContact CD2-CD1 4.29Å; L214-I244 HydrophobicContact CD2-CG1 4.28Å; L214-L255 HydrophobicContact CD2-CD2 4.33Å; L214-Y257 CarbonylContact C-O 3.39Å; L214-Y257 WeakPolarHBondContact CA-O 3.44Å
215G95.5Very high95.3Very high17 Ų1737.5 Ų37.518%0.17521%0.212CC..  trans-72.9-157.2162.700000112I217 Y257G215-I217 PolarHBondContact O-N 3.41Å; G215-Y257 PolarHBondContact N-O 2.62Å
216L94.6Very high94.7Very high34 Ų3437.1 Ų37.118%0.17821%0.209CC..  trans-73.6124.5174.7-178.263.8000110.1A222 V226 I232 A234 Y235L216-A222 HydrophobicContact CD1-CB 4.23Å; L216-V226 HydrophobicContact CD1-CG1 4.12Å; L216-V226 HydrophobicContact CD1-CG2 4.46Å; L216-V226 HydrophobicContact CD2-CG2 4.24Å; L216-I232 HydrophobicContact CB-CG2 4.23Å; L216-I232 HydrophobicContact CD2-CB 4.44Å; L216-I232 HydrophobicContact CD2-CG2 4.36Å; L216-I232 VanDerWaalsContact CD2-O 3.32Å; L216-I232 WeakPolarHBondContact CD2-O 3.32Å; L216-A234 HydrophobicContact CD2-CB 3.94Å; L216-A234 HydrophobicContact CG-CB 3.86Å; L216-A234 CarbonylContact O-C 3.6Å; L216-A234 WeakPolarHBondContact O-CA 3.49Å; L216-Y235 PolarHBondContact O-N 3.47Å
217I96.6Very high94.2Very high10 Ų1043.1 Ų43.15%0.05123%0.225CC..BIsolated β-bridgetrans-113.9139.3179.7-52.7-53.7000109.1I45 L214 G215 T219 A222 Y235 A237 A240 Y257I45-I217 HydrophobicContact CD1-CB 4.04Å; I45-I217 HydrophobicContact CD1-CG1 3.93Å; I45-I217 HydrophobicContact CD1-CG2 3.91Å; I45-I217 HydrophobicContact CG1-CG2 3.89Å; L214-I217 HydrophobicContact CB-CD1 4.48Å; L214-I217 HydrophobicContact CB-CG1 4.26Å; L214-I217 HydrophobicContact CD1-CG1 4.3Å; G215-I217 PolarHBondContact O-N 3.41Å; I217-T219 HydrophobicContact CG2-CG2 4.17Å; I217-T219 PolarHBondContact O-N 3.1Å; I217-A222 WeakPolarHBondContact O-CB 3.18Å; I217-Y235 CarbonylContact C-O 3.57Å; I217-Y235 WeakPolarHBondContact CA-O 3.16Å; I217-Y235 WeakPolarHBondContact CG2-O 3.42Å; I217-A237 VanDerWaalsContact CG2-CA 3.43Å; I217-A237 HydrophobicContact CG2-CB 3.74Å; I217-A240 HydrophobicContact CD1-CB 3.85Å; I217-A240 HydrophobicContact CG1-CB 4.24Å; I217-A240 HydrophobicContact CG2-CB 4.13Å; I217-Y257 HydrophobicContact CD1-CD1 3.8Å; I217-Y257 HydrophobicContact CD1-CE1 3.87Å
218D94.9Very high93.3Very high72 Ų7245.5 Ų45.539%0.38525%0.252SS..  trans-7438.6-172.570.9-8000115.1M223 A234 Y235 P236 A237D218-M223 HydrophobicContact CB-CG 4.5Å; D218-M223 HydrophobicContact CB-SD 4.45Å; D218-A234 HydrophobicContact CB-CB 3.95Å; D218-Y235 PolarHBondContact N-O 2.94Å; D218-P236 WeakPolarHBondContact OD1-CA 3.5Å; D218-P236 WeakPolarHBondContact OD2-CA 3.4Å; D218-A237 WeakPolarHBondContact OD1-CB 3.45Å; D218-A237 PolarHBondContact OD1-N 3.45Å
219T93.6Very high92.5Very high27 Ų2746.6 Ų46.617%0.16626%0.258CS..  trans-73.1143.117065.80000110.7I45 I217 S221 A222 M223 A237I45-T219 HydrophobicContact CG1-CG2 3.89Å; I217-T219 HydrophobicContact CG2-CG2 4.17Å; I217-T219 PolarHBondContact O-N 3.1Å; T219-S221 VanDerWaalsContact C-N 3.27Å; T219-S221 PolarHBondContact O-N 3.2Å; T219-A222 PolarHBondContact O-N 2.93Å; T219-A222 VanDerWaalsContact OG1-CB 3.29Å; T219-A222 WeakPolarHBondContact OG1-CB 3.39Å; T219-A222 PolarHBondContact OG1-N 3.16Å; T219-M223 WeakPolarHBondContact O-CG 3.43Å; T219-M223 PolarHBondContact O-N 3.09Å; T219-A237 HydrophobicContact CG2-CB 4.1Å
220D90.9Very high91.7Very high134 Ų13447.4 Ų47.472%0.71726%0.263SS*.Hα-helixtrans-47.6-49.6177.9-59.2-23.4000112.2A222 M223 D224D220-A222 VanDerWaalsContact C-N 3.26Å; D220-A222 PolarHBondContact O-N 3.01Å; D220-M223 PolarHBondContact O-N 3.47Å; D220-D224 WeakPolarHBondContact O-CB 3.31Å; D220-D224 PolarHBondContact O-N 3.04Å
221S89.9Confident90.8Very high66 Ų6654.5 Ų54.546%0.46230%0.301SS..Hα-helixtrans-61.4-29.9179.8177.30000114.2T219 K225T219-S221 VanDerWaalsContact C-N 3.27Å; T219-S221 PolarHBondContact O-N 3.2Å; S221-K225 WeakPolarHBondContact O-CD 3.23Å; S221-K225 WeakPolarHBondContact O-CG 3.35Å
222A90.7Very high90.2Very high25 Ų2558.1 Ų58.121%0.20732%0.32CS..Hα-helixtrans-80.1-47177.200000109.9L216 I217 T219 D220 D224 K225 V226L216-A222 HydrophobicContact CD1-CB 4.23Å; I217-A222 WeakPolarHBondContact O-CB 3.18Å; T219-A222 PolarHBondContact O-N 2.93Å; T219-A222 VanDerWaalsContact OG1-CB 3.29Å; T219-A222 WeakPolarHBondContact OG1-CB 3.39Å; T219-A222 PolarHBondContact OG1-N 3.16Å; D220-A222 VanDerWaalsContact C-N 3.26Å; D220-A222 PolarHBondContact O-N 3.01Å; A222-D224 VanDerWaalsContact C-N 3.32Å; A222-D224 PolarHBondContact O-N 3.48Å; A222-K225 PolarHBondContact O-N 3.36Å; A222-V226 WeakPolarHBondContact O-CG2 3.49Å; A222-V226 PolarHBondContact O-N 3.16Å; A222-V226 VanDerWaalsContact O-N 3.08Å
223M93.1Very high89.7Confident76 Ų7662.3 Ų62.337%0.37435%0.347SS..Hα-helixtrans-61.2-39.3-178.2-63.9-47.8-60.100112.3D218 T219 D220 K225 V226 R227 A234D218-M223 HydrophobicContact CB-CG 4.5Å; D218-M223 HydrophobicContact CB-SD 4.45Å; T219-M223 WeakPolarHBondContact O-CG 3.43Å; T219-M223 PolarHBondContact O-N 3.09Å; D220-M223 PolarHBondContact O-N 3.47Å; M223-K225 VanDerWaalsContact C-N 3.28Å; M223-K225 PolarHBondContact O-N 3.39Å; M223-V226 HydrophobicContact CE-CG2 4.39Å; M223-V226 HydrophobicContact SD-CG2 4.39Å; M223-R227 WeakPolarHBondContact O-CB 3.38Å; M223-R227 PolarHBondContact O-N 3.47Å; M223-A234 HydrophobicContact CE-CB 4.26Å; M223-A234 HydrophobicContact SD-CB 3.58Å; M223-A234 VanDerWaalsContact SD-CB 3.58Å
224D90.3Very high89.5Confident118 Ų11864 Ų6463%0.63136%0.361SS*.Hα-helixtrans-60.7-37.1175-75-19.6000112.6D220 A222D220-D224 WeakPolarHBondContact O-CB 3.31Å; D220-D224 PolarHBondContact O-N 3.04Å; A222-D224 VanDerWaalsContact C-N 3.32Å; A222-D224 PolarHBondContact O-N 3.48Å
225K87.5Confident89.4Confident65 Ų6566.8 Ų66.828%0.28337%0.371SS..Hα-helixtrans-79.9-34.9-176.4-71.3177.1-169.6179.20113.6T123 F125 S221 A222 M223T123-K225 WeakPolarHBondContact O-CD 3.46Å; T123-K225 WeakPolarHBondContact O-CE 3.41Å; T123-K225 PolarHBondContact O-NZ 2.98Å; F125-K225 HydrophobicContact CB-CB 4Å; S221-K225 WeakPolarHBondContact O-CD 3.23Å; S221-K225 WeakPolarHBondContact O-CG 3.35Å; A222-K225 PolarHBondContact O-N 3.36Å; M223-K225 VanDerWaalsContact C-N 3.28Å; M223-K225 PolarHBondContact O-N 3.39Å
226V87Confident89.5Confident14 Ų1468 Ų689%0.08538%0.376CS..Hα-helixtrans-87.8-11.4-177.1-60.20000113F125 L216 A222 M223 G228 V229 T230F125-V226 HydrophobicContact CD2-CG1 4.39Å; F125-V226 HydrophobicContact CE2-CG1 4.07Å; F125-V226 HydrophobicContact CZ-CG1 4.47Å; L216-V226 HydrophobicContact CD1-CG1 4.12Å; L216-V226 HydrophobicContact CD1-CG2 4.46Å; L216-V226 HydrophobicContact CD2-CG2 4.24Å; A222-V226 WeakPolarHBondContact O-CG2 3.49Å; A222-V226 PolarHBondContact O-N 3.16Å; A222-V226 VanDerWaalsContact O-N 3.08Å; M223-V226 HydrophobicContact CE-CG2 4.39Å; M223-V226 HydrophobicContact SD-CG2 4.39Å; V226-G228 PolarHBondContact O-N 2.67Å; V226-G228 VanDerWaalsContact O-N 3.16Å; V226-V229 PolarHBondContact O-N 3.01Å; V226-T230 HydrophobicContact CB-CG2 3.83Å; V226-T230 HydrophobicContact CG1-CG2 4.19Å; V226-T230 PolarHBondContact O-N 3.28Å
227R85.7Confident89.6Confident212 Ų21266.8 Ų66.880%0.837%0.371SS*.THydrogen-bonded Turntrans-55.5118.1-176.2-170.7175-176.4177.90.5111.3M223 V229M223-R227 WeakPolarHBondContact O-CB 3.38Å; M223-R227 PolarHBondContact O-N 3.47Å; R227-V229 VanDerWaalsContact C-N 3.25Å; R227-V229 PolarHBondContact O-N 3.08Å
228G80.9Confident89.6Confident62 Ų6269.1 Ų69.164%0.63939%0.386SS*.THydrogen-bonded Turntrans81-5.3178.900000115.2V226 N284V226-G228 PolarHBondContact O-N 2.67Å; V226-G228 VanDerWaalsContact O-N 3.16Å; G228-N284 PolarHBondContact O-ND2 3.36Å
229V81.3Confident89.7Confident33 Ų3370.4 Ų70.420%0.239%0.39CS..THydrogen-bonded Turntrans-102.4-35.5-177.3-164.90000112.5F125 V226 R227 Y283 N284F125-V229 HydrophobicContact CD1-CB 4.28Å; F125-V229 HydrophobicContact CD1-CG1 4.03Å; F125-V229 HydrophobicContact CD1-CG2 4.31Å; F125-V229 HydrophobicContact CE1-CB 3.92Å; F125-V229 HydrophobicContact CE1-CG1 3.49Å; F125-V229 VanDerWaalsContact CE1-CG1 3.49Å; F125-V229 HydrophobicContact CE1-CG2 4.45Å; V226-V229 PolarHBondContact O-N 3.01Å; R227-V229 VanDerWaalsContact C-N 3.25Å; R227-V229 PolarHBondContact O-N 3.08Å; V229-Y283 HydrophobicContact CG1-CD1 4.5Å; V229-N284 PolarHBondContact O-N 2.92Å
230T80.8Confident89.9Confident18 Ų1869.1 Ų69.111%0.1138%0.382CS..  trans-142.6153.5177.6-173.20000112.1V226 I232V226-T230 HydrophobicContact CB-CG2 3.83Å; V226-T230 HydrophobicContact CG1-CG2 4.19Å; V226-T230 PolarHBondContact O-N 3.28Å; T230-I232 WeakPolarHBondContact OG1-CD1 3.47Å; T230-I232 WeakPolarHBondContact OG1-CG1 3.31Å; T230-I232 PolarHBondContact OG1-N 3.48Å
231N81.5Confident90.3Very high150 Ų15062.7 Ų62.780%0.80235%0.348SS*.  trans-106.514.6177.3-65.1-38.2000112.5P233N231-P233 WeakPolarHBondContact O-CD 3.18Å
232I84.6Confident90.7Very high82 Ų8262.2 Ų62.242%0.42134%0.339SS..PPolyproline II helixtrans-60.1129.4176.9-68.2165.8000108.8L216 T230 A234L216-I232 HydrophobicContact CB-CG2 4.23Å; L216-I232 HydrophobicContact CD2-CB 4.44Å; L216-I232 HydrophobicContact CD2-CG2 4.36Å; L216-I232 VanDerWaalsContact CD2-O 3.32Å; L216-I232 WeakPolarHBondContact CD2-O 3.32Å; T230-I232 WeakPolarHBondContact OG1-CD1 3.47Å; T230-I232 WeakPolarHBondContact OG1-CG1 3.31Å; T230-I232 PolarHBondContact OG1-N 3.48Å; I232-A234 PolarHBondContact O-N 3.42Å
233P88.7Confident91.1Very high87 Ų8763.6 Ų63.657%0.56534%0.343SS*.PPolyproline II helixtrans-61.4135.1176.9-23.833.7000112.2N231 Y235N231-P233 WeakPolarHBondContact O-CD 3.18Å; P233-Y235 HydrophobicContact CB-CE2 4.39Å
234A93.8Very high91.3Very high35 Ų3560 Ų6029%0.28933%0.325SS..PPolyproline II helixtrans-91146.6171.200000110.9L216 D218 M223 I232L216-A234 HydrophobicContact CD2-CB 3.94Å; L216-A234 HydrophobicContact CG-CB 3.86Å; L216-A234 CarbonylContact O-C 3.6Å; L216-A234 WeakPolarHBondContact O-CA 3.49Å; D218-A234 HydrophobicContact CB-CB 3.95Å; M223-A234 HydrophobicContact CE-CB 4.26Å; M223-A234 HydrophobicContact SD-CB 3.58Å; M223-A234 VanDerWaalsContact SD-CB 3.58Å; I232-A234 PolarHBondContact O-N 3.42Å
235Y95.3Very high91.7Very high65 Ų6554.3 Ų54.326%0.25530%0.295SS..BIsolated β-bridgetrans-110.2152.4-179.8-70.8-97000111.8L216 I217 D218 P233 A237 Y257 P258 F260L216-Y235 PolarHBondContact O-N 3.47Å; I217-Y235 CarbonylContact C-O 3.57Å; I217-Y235 WeakPolarHBondContact CA-O 3.16Å; I217-Y235 WeakPolarHBondContact CG2-O 3.42Å; D218-Y235 PolarHBondContact N-O 2.94Å; P233-Y235 HydrophobicContact CB-CE2 4.39Å; Y235-A237 PolarHBondContact O-N 3.24Å; Y235-Y257 HydrophobicContact CG-CE1 4.39Å; Y235-P258 HydrophobicContact CD1-CB 4.01Å; Y235-P258 HydrophobicContact CD1-CG 4.27Å; Y235-P258 HydrophobicContact CD2-CB 4.44Å; Y235-P258 HydrophobicContact CD2-CG 3.81Å; Y235-P258 HydrophobicContact CE1-CB 3.77Å; Y235-P258 HydrophobicContact CE1-CG 4.01Å; Y235-P258 HydrophobicContact CE2-CB 4.25Å; Y235-P258 HydrophobicContact CE2-CG 3.54Å; Y235-P258 HydrophobicContact CG-CB 4.36Å; Y235-P258 HydrophobicContact CG-CG 4.2Å; Y235-F260 HydrophobicContact CE1-CE1 4.48Å; Y235-F260 HydrophobicContact CE2-CE1 4.29Å; Y235-F260 HydrophobicContact CE2-CZ 4.06Å; Y235-F260 AromaticContact CZ-CE1 3.75Å; Y235-F260 AromaticContact CZ-CZ 3.95Å; Y235-F260 WeakPolarHBondContact OH-CE1 3.29Å; Y235-F260 WeakPolarHBondContact OH-CZ 3.34Å
236P96.9Very high92.2Very high42 Ų4253.2 Ų53.227%0.27329%0.292SS..  trans-61.4128.3-174.4-24.835.2000114.4D218 T238 E239 A240D218-P236 WeakPolarHBondContact OD1-CA 3.5Å; D218-P236 WeakPolarHBondContact OD2-CA 3.4Å; P236-T238 VanDerWaalsContact C-N 3.27Å; P236-T238 HydrophobicContact CB-CG2 4.21Å; P236-T238 PolarHBondContact O-N 3Å; P236-E239 HydrophobicContact CB-CB 4.23Å; P236-E239 HydrophobicContact CB-CG 4.08Å; P236-E239 HydrophobicContact CG-CG 4.47Å; P236-E239 PolarHBondContact O-N 3.48Å; P236-E239 VanDerWaalsContact O-N 3.15Å; P236-A240 PolarHBondContact O-N 2.94Å
237A97Very high92.8Very high10 Ų1052.8 Ų52.88%0.08329%0.289CS..Hα-helixtrans-61.9-34.6179.100000112.8I45 Q48 I217 D218 T219 Y235 A241I45-A237 HydrophobicContact CG1-CB 4.4Å; Q48-A237 HydrophobicContact CG-CB 4.39Å; I217-A237 VanDerWaalsContact CG2-CA 3.43Å; I217-A237 HydrophobicContact CG2-CB 3.74Å; D218-A237 WeakPolarHBondContact OD1-CB 3.45Å; D218-A237 PolarHBondContact OD1-N 3.45Å; T219-A237 HydrophobicContact CG2-CB 4.1Å; Y235-A237 PolarHBondContact O-N 3.24Å; A237-A241 VanDerWaalsContact O-CB 3.25Å; A237-A241 WeakPolarHBondContact O-CB 3.46Å; A237-A241 PolarHBondContact O-N 2.88Å
238T97.3Very high93.4Very high59 Ų5942.7 Ų42.736%0.36225%0.251SS..Hα-helixtrans-64.7-39176.2-1760000112.4H52 P236 L242H52-T238 PolarHBondContact NE2-O 3.49Å; H52-T238 PolarHBondContact NE2-OG1 2.9Å; P236-T238 VanDerWaalsContact C-N 3.27Å; P236-T238 HydrophobicContact CB-CG2 4.21Å; P236-T238 PolarHBondContact O-N 3Å; T238-L242 PolarHBondContact O-N 2.85Å; T238-L242 VanDerWaalsContact O-N 3.09Å
239E97.3Very high94.2Very high98 Ų9840.6 Ų40.646%0.45823%0.228SC..Hα-helixtrans-74.8-41.1177.5-70.1-178.3-171.200111.3P236 A241 L242 N243 Y257P236-E239 HydrophobicContact CB-CB 4.23Å; P236-E239 HydrophobicContact CB-CG 4.08Å; P236-E239 HydrophobicContact CG-CG 4.47Å; P236-E239 PolarHBondContact O-N 3.48Å; P236-E239 VanDerWaalsContact O-N 3.15Å; E239-A241 VanDerWaalsContact C-N 3.31Å; E239-A241 PolarHBondContact O-N 2.99Å; E239-L242 PolarHBondContact O-N 2.97Å; E239-N243 PolarHBondContact O-N 3.09Å; E239-N243 PolarHBondContact O-ND2 3.11Å; E239-Y257 HydrophobicContact CB-CE2 4.42Å; E239-Y257 WeakPolarHBondContact CB-OH 3.34Å; E239-Y257 PolarHBondContact OE2-OH 3.41Å
240A98.1Very high94.9Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-56.9-47.8173.500000110.7I217 P236 L242 N243 I244 Y257I217-A240 HydrophobicContact CD1-CB 3.85Å; I217-A240 HydrophobicContact CG1-CB 4.24Å; I217-A240 HydrophobicContact CG2-CB 4.13Å; P236-A240 PolarHBondContact O-N 2.94Å; A240-L242 PolarHBondContact O-N 2.8Å; A240-N243 PolarHBondContact O-N 3.48Å; A240-I244 WeakPolarHBondContact O-CD1 3.42Å; A240-I244 VanDerWaalsContact O-CG1 3.23Å; A240-I244 WeakPolarHBondContact O-CG1 3.47Å; A240-I244 PolarHBondContact O-N 3.4Å; A240-Y257 HydrophobicContact CB-CD1 3.76Å; A240-Y257 HydrophobicContact CB-CE1 3.67Å
241A98.8Very high95.7Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-57.6-46.2175.900000112.4I45 Q48 M49 A237 E239 N243 I244 I245I45-A241 HydrophobicContact CG2-CB 4.24Å; Q48-A241 HydrophobicContact CB-CB 3.6Å; M49-A241 HydrophobicContact CB-CB 4.34Å; M49-A241 HydrophobicContact CG-CB 3.51Å; A237-A241 VanDerWaalsContact O-CB 3.25Å; A237-A241 WeakPolarHBondContact O-CB 3.46Å; A237-A241 PolarHBondContact O-N 2.88Å; E239-A241 VanDerWaalsContact C-N 3.31Å; E239-A241 PolarHBondContact O-N 2.99Å; A241-N243 PolarHBondContact O-N 3.43Å; A241-I244 PolarHBondContact O-N 3.2Å; A241-I245 VanDerWaalsContact O-CG1 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.29Å; A241-I245 PolarHBondContact O-N 2.83Å; A241-I245 VanDerWaalsContact O-N 3.09Å
242L98.4Very high96.4Very high55 Ų5540.2 Ų40.229%0.28822%0.215SC..Hα-helixtrans-62.3-43.7177.5-179.959.4000112F56 T238 E239 A240 I244 I245 I246F56-L242 HydrophobicContact CE2-CD1 4.16Å; F56-L242 HydrophobicContact CZ-CD1 3.79Å; T238-L242 PolarHBondContact O-N 2.85Å; T238-L242 VanDerWaalsContact O-N 3.09Å; E239-L242 PolarHBondContact O-N 2.97Å; A240-L242 PolarHBondContact O-N 2.8Å; L242-I244 PolarHBondContact O-N 3.36Å; L242-I245 PolarHBondContact O-N 3.15Å; L242-I246 HydrophobicContact CD1-CD1 4.07Å; L242-I246 HydrophobicContact CD1-CG1 4.26Å; L242-I246 HydrophobicContact CG-CD1 3.85Å; L242-I246 HydrophobicContact CG-CG1 4.45Å; L242-I246 VanDerWaalsContact O-CG1 3.29Å; L242-I246 WeakPolarHBondContact O-CG1 3.44Å; L242-I246 PolarHBondContact O-N 3.4Å
243N98.2Very high96.9Very high54 Ų5438.9 Ų38.929%0.28921%0.208SC..Hα-helixtrans-63.6-40.3178.3-79.7-87000111.8E239 A240 A241 I245 I246 T247 L255 Y257E239-N243 PolarHBondContact O-N 3.09Å; E239-N243 PolarHBondContact O-ND2 3.11Å; A240-N243 PolarHBondContact O-N 3.48Å; A241-N243 PolarHBondContact O-N 3.43Å; N243-I245 VanDerWaalsContact C-N 3.33Å; N243-I245 PolarHBondContact O-N 3.06Å; N243-I246 PolarHBondContact O-N 2.9Å; N243-T247 WeakPolarHBondContact O-CB 3.11Å; N243-T247 PolarHBondContact O-N 3.12Å; N243-T247 PolarHBondContact O-OG1 3.2Å; N243-L255 HydrophobicContact CB-CD1 4.11Å; N243-L255 HydrophobicContact CB-CD2 3.97Å; N243-Y257 HydrophobicContact CB-CD2 4.18Å
244I98.8Very high97.2Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-59-46.2174.7-66.8160.5000110.8I45 M49 V165 V167 C212 L214 A240 A241 L242 T247 G248 L255I45-I244 HydrophobicContact CG2-CD1 3.57Å; M49-I244 HydrophobicContact SD-CB 3.99Å; M49-I244 HydrophobicContact SD-CD1 4.05Å; M49-I244 HydrophobicContact SD-CG2 3.52Å; M49-I244 VanDerWaalsContact SD-CG2 3.52Å; V165-I244 HydrophobicContact CG1-CG2 3.56Å; V167-I244 HydrophobicContact CG2-CD1 4.15Å; V167-I244 HydrophobicContact CG2-CG2 4.29Å; C212-I244 HydrophobicContact CB-CG1 4.09Å; L214-I244 HydrophobicContact CD1-CD1 3.94Å; L214-I244 HydrophobicContact CD2-CD1 4.29Å; L214-I244 HydrophobicContact CD2-CG1 4.28Å; A240-I244 WeakPolarHBondContact O-CD1 3.42Å; A240-I244 VanDerWaalsContact O-CG1 3.23Å; A240-I244 WeakPolarHBondContact O-CG1 3.47Å; A240-I244 PolarHBondContact O-N 3.4Å; A241-I244 PolarHBondContact O-N 3.2Å; L242-I244 PolarHBondContact O-N 3.36Å; I244-T247 PolarHBondContact O-N 3.41Å; I244-G248 PolarHBondContact O-N 3.4Å; I244-L255 HydrophobicContact CB-CD2 4.4Å; I244-L255 HydrophobicContact CG1-CD2 3.79Å
245I98.7Very high97.4Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-62.4-46.3178.2-67.5172.6000110.8L31 M49 H52 Y53 F56 A241 L242 N243 T247 G248 A249L31-I245 HydrophobicContact CD1-CG2 3.41Å; L31-I245 VanDerWaalsContact CD1-CG2 3.41Å; M49-I245 HydrophobicContact CB-CD1 4.25Å; M49-I245 HydrophobicContact CG-CD1 4.33Å; M49-I245 HydrophobicContact CG-CG1 4.31Å; H52-I245 HydrophobicContact CB-CD1 3.42Å; H52-I245 VanDerWaalsContact CB-CD1 3.42Å; Y53-I245 HydrophobicContact CD1-CD1 4.45Å; Y53-I245 HydrophobicContact CD1-CG2 4.35Å; Y53-I245 HydrophobicContact CD2-CD1 3.74Å; Y53-I245 HydrophobicContact CD2-CG1 4.08Å; Y53-I245 HydrophobicContact CE1-CD1 4.49Å; Y53-I245 HydrophobicContact CE1-CG1 4.24Å; Y53-I245 HydrophobicContact CE1-CG2 3.82Å; Y53-I245 HydrophobicContact CE2-CD1 3.78Å; Y53-I245 HydrophobicContact CE2-CG1 3.56Å; Y53-I245 HydrophobicContact CG-CD1 4.09Å; F56-I245 HydrophobicContact CD2-CG2 4.41Å; F56-I245 HydrophobicContact CE2-CG2 4.09Å; A241-I245 VanDerWaalsContact O-CG1 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.29Å; A241-I245 PolarHBondContact O-N 2.83Å; A241-I245 VanDerWaalsContact O-N 3.09Å; L242-I245 PolarHBondContact O-N 3.15Å; N243-I245 VanDerWaalsContact C-N 3.33Å; N243-I245 PolarHBondContact O-N 3.06Å; I245-T247 VanDerWaalsContact C-N 3.35Å; I245-T247 PolarHBondContact O-N 3Å; I245-G248 PolarHBondContact O-N 3.21Å; I245-A249 VanDerWaalsContact O-CB 3.29Å; I245-A249 WeakPolarHBondContact O-CB 3.38Å; I245-A249 PolarHBondContact O-N 3.15Å
246I98.2Very high97.4Very high42 Ų4235.2 Ų35.222%0.21518%0.181CC..Hα-helixtrans-58.3-48.3178.2-72.5170000110.2F26 L242 N243 G248 A249 T250F26-I246 HydrophobicContact CB-CG1 4.18Å; F26-I246 HydrophobicContact CB-CG2 4.06Å; F26-I246 HydrophobicContact CD1-CD1 4.12Å; F26-I246 HydrophobicContact CD1-CG1 3.66Å; F26-I246 HydrophobicContact CD2-CG1 4.14Å; F26-I246 HydrophobicContact CE1-CG1 4Å; F26-I246 HydrophobicContact CE2-CG1 4.47Å; F26-I246 HydrophobicContact CG-CB 4.45Å; F26-I246 HydrophobicContact CG-CD1 4.49Å; F26-I246 HydrophobicContact CG-CG1 3.72Å; F26-I246 HydrophobicContact CG-CG2 4.4Å; F26-I246 HydrophobicContact CZ-CG1 4.39Å; L242-I246 HydrophobicContact CD1-CD1 4.07Å; L242-I246 HydrophobicContact CD1-CG1 4.26Å; L242-I246 HydrophobicContact CG-CD1 3.85Å; L242-I246 HydrophobicContact CG-CG1 4.45Å; L242-I246 VanDerWaalsContact O-CG1 3.29Å; L242-I246 WeakPolarHBondContact O-CG1 3.44Å; L242-I246 PolarHBondContact O-N 3.4Å; N243-I246 PolarHBondContact O-N 2.9Å; I246-G248 PolarHBondContact O-N 2.88Å; I246-A249 PolarHBondContact O-N 3.41Å; I246-T250 HydrophobicContact CG2-CG2 4.34Å; I246-T250 VanDerWaalsContact O-CB 3.31Å; I246-T250 WeakPolarHBondContact O-CB 3.31Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 3.23Å; I246-T250 PolarHBondContact O-OG1 2.71Å
247T98.1Very high97.4Very high4 Ų434.1 Ų34.13%0.02517%0.171CC..Hα-helixtrans-58.5-46178.7-61.60000111.5N243 I244 I245 T250 R251 Q252 L255N243-T247 WeakPolarHBondContact O-CB 3.11Å; N243-T247 PolarHBondContact O-N 3.12Å; N243-T247 PolarHBondContact O-OG1 3.2Å; I244-T247 PolarHBondContact O-N 3.41Å; I245-T247 VanDerWaalsContact C-N 3.35Å; I245-T247 PolarHBondContact O-N 3Å; T247-T250 PolarHBondContact O-OG1 3.41Å; T247-R251 PolarHBondContact O-N 3.34Å; T247-Q252 HydrophobicContact CG2-CB 3.79Å; T247-Q252 PolarHBondContact O-N 2.86Å; T247-L255 HydrophobicContact CG2-CB 3.79Å; T247-L255 WeakPolarHBondContact OG1-CB 3.47Å
248G98.3Very high97.2Very high0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-66.6-41.7178.100000113.7S163 I244 I245 I246 R251S163-G248 WeakPolarHBondContact CB-O 3.33Å; S163-G248 PolarHBondContact OG-O 2.82Å; I244-G248 PolarHBondContact O-N 3.4Å; I245-G248 PolarHBondContact O-N 3.21Å; I246-G248 PolarHBondContact O-N 2.88Å; G248-R251 PolarHBondContact O-N 3.36Å
249A98.1Very high96.8Very high18 Ų1840.2 Ų40.215%0.14919%0.187CC..Hα-helixtrans-69.6-34.617900000112.4F26 L31 I245 I246 R251F26-A249 HydrophobicContact CD2-CB 3.91Å; F26-A249 HydrophobicContact CE2-CB 3.78Å; L31-A249 HydrophobicContact CD1-CB 4.45Å; L31-A249 HydrophobicContact CD2-CB 4.11Å; L31-A249 HydrophobicContact CG-CB 4.43Å; I245-A249 VanDerWaalsContact O-CB 3.29Å; I245-A249 WeakPolarHBondContact O-CB 3.38Å; I245-A249 PolarHBondContact O-N 3.15Å; I246-A249 PolarHBondContact O-N 3.41Å; A249-R251 VanDerWaalsContact C-N 3.31Å
250T97.3Very high96.3Very high20 Ų2039.2 Ų39.212%0.12318%0.181CC..THydrogen-bonded Turntrans-88.60.7175.958.60000113.5P24 F26 I246 T247 Q252P24-T250 HydrophobicContact CB-CG2 3.75Å; F26-T250 HydrophobicContact CB-CG2 4.14Å; I246-T250 HydrophobicContact CG2-CG2 4.34Å; I246-T250 VanDerWaalsContact O-CB 3.31Å; I246-T250 WeakPolarHBondContact O-CB 3.31Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 3.23Å; I246-T250 PolarHBondContact O-OG1 2.71Å; T247-T250 PolarHBondContact O-OG1 3.41Å; T250-Q252 PolarHBondContact O-N 3Å; T250-Q252 PolarHBondContact OG1-NE2 3.44Å
251R97.2Very high95.9Very high105 Ų10539.3 Ų39.340%0.39618%0.182SC..THydrogen-bonded Turntrans60.630173.5-49.3173.862.479-3.3113.2K161 G162 N206 S208 T247 G248 A249K161-R251 PolarHBondContact O-NH1 3.08Å; G162-R251 PolarHBondContact O-NH1 2.86Å; G162-R251 VanDerWaalsContact O-NH1 3.14Å; N206-R251 PolarHBondContact O-NH2 2.89Å; S208-R251 PolarHBondContact OG-NH1 3.29Å; T247-R251 PolarHBondContact O-N 3.34Å; G248-R251 PolarHBondContact O-N 3.36Å; A249-R251 VanDerWaalsContact C-N 3.31Å
252Q95.8Very high95.5Very high68 Ų6844 Ų4432%0.31820%0.204SC..  trans-73.4138.9176.2-71.217958.400109.9P24 S210 T247 T250P24-Q252 HydrophobicContact CG-CG 4.11Å; S210-Q252 WeakPolarHBondContact CA-O 3.43Å; S210-Q252 VanDerWaalsContact CB-O 3.28Å; S210-Q252 WeakPolarHBondContact CB-O 3.25Å; S210-Q252 PolarHBondContact OG-O 3.42Å; T247-Q252 HydrophobicContact CG2-CB 3.79Å; T247-Q252 PolarHBondContact O-N 2.86Å; T250-Q252 PolarHBondContact O-N 3Å; T250-Q252 PolarHBondContact OG1-NE2 3.44Å
253L95.3Very high95Very high55 Ų5544.5 Ų44.529%0.28821%0.209SC..SBendtrans-66.7-43.6-179.3177.260000112.2Y197 I209 S210 I211Y197-L253 HydrophobicContact CD1-CD1 3.97Å; Y197-L253 HydrophobicContact CD1-CD2 4.1Å; Y197-L253 HydrophobicContact CD2-CD1 3.7Å; Y197-L253 HydrophobicContact CE1-CD1 4.26Å; Y197-L253 HydrophobicContact CE1-CD2 3.8Å; Y197-L253 HydrophobicContact CE2-CD1 3.99Å; Y197-L253 HydrophobicContact CG-CD1 3.68Å; I209-L253 WeakPolarHBondContact O-CD1 3.48Å; S210-L253 CarbonylContact C-O 3.24Å; S210-L253 WeakPolarHBondContact CA-O 3.47Å; I211-L253 PolarHBondContact N-O 3.02Å
254D95.4Very high94.5Very high59 Ų5944.1 Ų44.132%0.31621%0.209SC..EExtended strand (participates in β ladder)trans-124141.2-174.5-73.1-64.2000111.2I211 Y256I211-D254 WeakPolarHBondContact O-CA 3.38Å; D254-Y256 HydrophobicContact CB-CD2 4.29Å; D254-Y256 HydrophobicContact CB-CE2 3.81Å
255L96.7Very high94Very high16 Ų1644.7 Ų44.78%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-117.2135.5159.917066000108.9I211 C212 T213 L214 N243 I244 T247I211-L255 PolarHBondContact O-N 3.17Å; C212-L255 HydrophobicContact CB-CB 4.17Å; C212-L255 HydrophobicContact CB-CD2 4.06Å; T213-L255 WeakPolarHBondContact CA-O 3.34Å; T213-L255 WeakPolarHBondContact CB-O 3.41Å; T213-L255 PolarHBondContact N-O 3.31Å; L214-L255 HydrophobicContact CD2-CD2 4.33Å; N243-L255 HydrophobicContact CB-CD1 4.11Å; N243-L255 HydrophobicContact CB-CD2 3.97Å; I244-L255 HydrophobicContact CB-CD2 4.4Å; I244-L255 HydrophobicContact CG1-CD2 3.79Å; T247-L255 HydrophobicContact CG2-CB 3.79Å; T247-L255 WeakPolarHBondContact OG1-CB 3.47Å
256Y96.3Very high93.6Very high34 Ų3449.2 Ų49.213%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-118.7111.1166-71.7-90.9000107.8T213 D254 P258 W259 T261 Q262 T265T213-Y256 HydrophobicContact CG2-CD1 3.83Å; T213-Y256 HydrophobicContact CG2-CE1 3.83Å; T213-Y256 WeakPolarHBondContact O-CA 3.32Å; D254-Y256 HydrophobicContact CB-CD2 4.29Å; D254-Y256 HydrophobicContact CB-CE2 3.81Å; Y256-P258 CarbonylContact C-O 3.51Å; Y256-P258 CarbonylContact O-C 3.58Å; Y256-W259 VanDerWaalsContact O-CA 3.31Å; Y256-W259 WeakPolarHBondContact O-CA 3.45Å; Y256-W259 PolarHBondContact O-N 3.42Å; Y256-T261 WeakPolarHBondContact CB-OG1 3.3Å; Y256-Q262 VanDerWaalsContact CD1-CA 3.44Å; Y256-Q262 HydrophobicContact CD1-CB 3.81Å; Y256-Q262 HydrophobicContact CD1-CG 4.34Å; Y256-Q262 HydrophobicContact CD2-CB 3.8Å; Y256-Q262 HydrophobicContact CD2-CG 3.75Å; Y256-Q262 HydrophobicContact CE1-CB 4.33Å; Y256-Q262 HydrophobicContact CE1-CG 4.45Å; Y256-Q262 HydrophobicContact CE2-CB 4.34Å; Y256-Q262 HydrophobicContact CE2-CG 3.9Å; Y256-Q262 HydrophobicContact CG-CB 3.51Å; Y256-Q262 HydrophobicContact CG-CG 4Å; Y256-T265 HydrophobicContact CE1-CG2 4.14Å
257Y95.6Very high93Very high19 Ų1950.1 Ų50.18%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-128.9120.7179.1-176.9-91.9000110.9T213 L214 G215 I217 Y235 E239 A240 N243T213-Y257 PolarHBondContact O-N 3.24Å; L214-Y257 CarbonylContact C-O 3.39Å; L214-Y257 WeakPolarHBondContact CA-O 3.44Å; G215-Y257 PolarHBondContact N-O 2.62Å; I217-Y257 HydrophobicContact CD1-CD1 3.8Å; I217-Y257 HydrophobicContact CD1-CE1 3.87Å; Y235-Y257 HydrophobicContact CG-CE1 4.39Å; E239-Y257 HydrophobicContact CB-CE2 4.42Å; E239-Y257 WeakPolarHBondContact CB-OH 3.34Å; E239-Y257 PolarHBondContact OE2-OH 3.41Å; A240-Y257 HydrophobicContact CB-CD1 3.76Å; A240-Y257 HydrophobicContact CB-CE1 3.67Å; N243-Y257 HydrophobicContact CB-CD2 4.18Å
258P94.1Very high92.6Very high8 Ų852.3 Ų52.35%0.05225%0.249CC..SBendcis-66.2158.3-631.8-39.9000112.2Y235 Y256 F260 T261Y235-P258 HydrophobicContact CD1-CB 4.01Å; Y235-P258 HydrophobicContact CD1-CG 4.27Å; Y235-P258 HydrophobicContact CD2-CB 4.44Å; Y235-P258 HydrophobicContact CD2-CG 3.81Å; Y235-P258 HydrophobicContact CE1-CB 3.77Å; Y235-P258 HydrophobicContact CE1-CG 4.01Å; Y235-P258 HydrophobicContact CE2-CB 4.25Å; Y235-P258 HydrophobicContact CE2-CG 3.54Å; Y235-P258 HydrophobicContact CG-CB 4.36Å; Y235-P258 HydrophobicContact CG-CG 4.2Å; Y256-P258 CarbonylContact C-O 3.51Å; Y256-P258 CarbonylContact O-C 3.58Å; P258-F260 HydrophobicContact CB-CD1 3.84Å; P258-F260 HydrophobicContact CB-CE1 3.44Å; P258-F260 VanDerWaalsContact CB-CE1 3.44Å; P258-F260 HydrophobicContact CB-CZ 4.11Å; P258-F260 HydrophobicContact CG-CD1 3.82Å; P258-F260 HydrophobicContact CG-CE1 3.11Å; P258-F260 HydrophobicContact CG-CE2 4.01Å; P258-F260 HydrophobicContact CG-CZ 3.23Å; P258-F260 PolarHBondContact O-N 2.99Å; P258-F260 VanDerWaalsContact O-N 3.08Å; P258-T261 HydrophobicContact CG-CG2 4.07Å; P258-T261 WeakPolarHBondContact O-CB 3.3Å; P258-T261 WeakPolarHBondContact O-CG2 3.34Å; P258-T261 PolarHBondContact O-N 3.37Å; P258-T261 PolarHBondContact O-OG1 3.37Å
259W87.5Confident92Very high189 Ų18957.6 Ų57.672%0.71628%0.278SS*.THydrogen-bonded Turntrans-54.5-33.9-170.569.1-93.5000114.6Y256 T261 Q262 V263Y256-W259 VanDerWaalsContact O-CA 3.31Å; Y256-W259 WeakPolarHBondContact O-CA 3.45Å; Y256-W259 PolarHBondContact O-N 3.42Å; W259-T261 PolarHBondContact O-N 3.4Å; W259-T261 VanDerWaalsContact O-N 3.15Å; W259-Q262 WeakPolarHBondContact O-CB 3.42Å; W259-Q262 PolarHBondContact O-N 3.41Å; W259-Q262 VanDerWaalsContact O-N 3.15Å; W259-V263 HydrophobicContact CZ3-CG2 4.09Å
260F87.5Confident91.6Very high77 Ų7766.4 Ų66.434%0.33831%0.307SS..Hα-helixtrans-67.2-16.8-177.964.5-98.8000112.8Y235 P258 Q262 V263 V264Y235-F260 HydrophobicContact CE1-CE1 4.48Å; Y235-F260 HydrophobicContact CE2-CE1 4.29Å; Y235-F260 HydrophobicContact CE2-CZ 4.06Å; Y235-F260 AromaticContact CZ-CE1 3.75Å; Y235-F260 AromaticContact CZ-CZ 3.95Å; Y235-F260 WeakPolarHBondContact OH-CE1 3.29Å; Y235-F260 WeakPolarHBondContact OH-CZ 3.34Å; P258-F260 HydrophobicContact CB-CD1 3.84Å; P258-F260 HydrophobicContact CB-CE1 3.44Å; P258-F260 VanDerWaalsContact CB-CE1 3.44Å; P258-F260 HydrophobicContact CB-CZ 4.11Å; P258-F260 HydrophobicContact CG-CD1 3.82Å; P258-F260 HydrophobicContact CG-CE1 3.11Å; P258-F260 HydrophobicContact CG-CE2 4.01Å; P258-F260 HydrophobicContact CG-CZ 3.23Å; P258-F260 PolarHBondContact O-N 2.99Å; P258-F260 VanDerWaalsContact O-N 3.08Å; F260-Q262 PolarHBondContact O-N 2.91Å; F260-V263 WeakPolarHBondContact O-CB 3.35Å; F260-V263 PolarHBondContact O-N 3.44Å; F260-V264 HydrophobicContact CD2-CG2 4.29Å; F260-V264 WeakPolarHBondContact O-CG2 3.49Å; F260-V264 PolarHBondContact O-N 2.98Å
261T89.3Confident91.4Very high3 Ų370.6 Ų70.62%0.01832%0.324CS..Hα-helixtrans-58.5-30173.956.20000111.7L170 Y256 P258 W259 V264 T265L170-T261 HydrophobicContact CD2-CG2 4.4Å; Y256-T261 WeakPolarHBondContact CB-OG1 3.3Å; P258-T261 HydrophobicContact CG-CG2 4.07Å; P258-T261 WeakPolarHBondContact O-CB 3.3Å; P258-T261 WeakPolarHBondContact O-CG2 3.34Å; P258-T261 PolarHBondContact O-N 3.37Å; P258-T261 PolarHBondContact O-OG1 3.37Å; W259-T261 PolarHBondContact O-N 3.4Å; W259-T261 VanDerWaalsContact O-N 3.15Å; T261-V264 PolarHBondContact O-N 3.23Å; T261-T265 WeakPolarHBondContact O-CG2 3.29Å; T261-T265 PolarHBondContact O-N 2.94Å; T261-T265 PolarHBondContact O-OG1 3.5Å
262Q91.4Very high91Very high97 Ų9768.4 Ų68.445%0.45332%0.324SS..Hα-helixtrans-60.4-47.3172.1-168.3176.515.400111.7Y256 W259 F260 V264 T265 L266Y256-Q262 VanDerWaalsContact CD1-CA 3.44Å; Y256-Q262 HydrophobicContact CD1-CB 3.81Å; Y256-Q262 HydrophobicContact CD1-CG 4.34Å; Y256-Q262 HydrophobicContact CD2-CB 3.8Å; Y256-Q262 HydrophobicContact CD2-CG 3.75Å; Y256-Q262 HydrophobicContact CE1-CB 4.33Å; Y256-Q262 HydrophobicContact CE1-CG 4.45Å; Y256-Q262 HydrophobicContact CE2-CB 4.34Å; Y256-Q262 HydrophobicContact CE2-CG 3.9Å; Y256-Q262 HydrophobicContact CG-CB 3.51Å; Y256-Q262 HydrophobicContact CG-CG 4Å; W259-Q262 WeakPolarHBondContact O-CB 3.42Å; W259-Q262 PolarHBondContact O-N 3.41Å; W259-Q262 VanDerWaalsContact O-N 3.15Å; F260-Q262 PolarHBondContact O-N 2.91Å; Q262-V264 VanDerWaalsContact C-N 3.32Å; Q262-V264 PolarHBondContact O-N 3.42Å; Q262-T265 PolarHBondContact O-N 3.2Å; Q262-T265 PolarHBondContact O-OG1 2.89Å; Q262-L266 WeakPolarHBondContact O-CG 3.47Å; Q262-L266 PolarHBondContact O-N 3.46Å; Q262-L266 VanDerWaalsContact O-N 3.08Å
263V88.2Confident90.7Very high67 Ų6769.9 Ų69.941%0.40634%0.341SS..Hα-helixtrans-62.1-43.3178.9-179.50000110.2W259 F260 T265 L266 I267W259-V263 HydrophobicContact CZ3-CG2 4.09Å; F260-V263 WeakPolarHBondContact O-CB 3.35Å; F260-V263 PolarHBondContact O-N 3.44Å; V263-T265 VanDerWaalsContact C-N 3.32Å; V263-T265 PolarHBondContact O-N 3.47Å; V263-L266 PolarHBondContact O-N 2.88Å; V263-I267 HydrophobicContact CG1-CD1 3.77Å; V263-I267 HydrophobicContact CG1-CG1 4.3Å; V263-I267 VanDerWaalsContact O-CG1 3.3Å; V263-I267 WeakPolarHBondContact O-CG1 3.3Å; V263-I267 PolarHBondContact O-N 3.17Å
264V87.4Confident90.4Very high46 Ų4671.3 Ų71.328%0.27935%0.348SS..Hα-helixtrans-60.3-42.8177.4-176.80000111.1M174 F260 T261 Q262 L266 I267 K268M174-V264 HydrophobicContact CE-CG1 3.9Å; M174-V264 HydrophobicContact SD-CB 4.47Å; M174-V264 HydrophobicContact SD-CG1 3.59Å; M174-V264 VanDerWaalsContact SD-CG1 3.59Å; F260-V264 HydrophobicContact CD2-CG2 4.29Å; F260-V264 WeakPolarHBondContact O-CG2 3.49Å; F260-V264 PolarHBondContact O-N 2.98Å; T261-V264 PolarHBondContact O-N 3.23Å; Q262-V264 VanDerWaalsContact C-N 3.32Å; Q262-V264 PolarHBondContact O-N 3.42Å; V264-L266 VanDerWaalsContact C-N 3.33Å; V264-L266 PolarHBondContact O-N 3.13Å; V264-I267 PolarHBondContact O-N 3.43Å; V264-K268 PolarHBondContact O-N 3.35Å; V264-K268 VanDerWaalsContact O-N 3.13Å
265T88.8Confident90.1Very high12 Ų1269.3 Ų69.37%0.07434%0.337CS..Hα-helixtrans-64-36.2177.2560000113.1L170 K173 M174 Y256 T261 Q262 V263 K268L170-T265 HydrophobicContact CD1-CG2 3.59Å; K173-T265 HydrophobicContact CB-CG2 3.61Å; K173-T265 HydrophobicContact CG-CG2 4.14Å; M174-T265 HydrophobicContact CG-CG2 4.2Å; M174-T265 HydrophobicContact SD-CG2 4.19Å; Y256-T265 HydrophobicContact CE1-CG2 4.14Å; T261-T265 WeakPolarHBondContact O-CG2 3.29Å; T261-T265 PolarHBondContact O-N 2.94Å; T261-T265 PolarHBondContact O-OG1 3.5Å; Q262-T265 PolarHBondContact O-N 3.2Å; Q262-T265 PolarHBondContact O-OG1 2.89Å; V263-T265 VanDerWaalsContact C-N 3.32Å; V263-T265 PolarHBondContact O-N 3.47Å; T265-K268 WeakPolarHBondContact O-CB 3.36Å
266L88.9Confident89.8Confident95 Ų9572 Ų7250%0.49735%0.351SS..Hα-helixtrans-71.2-40.1176.3-66.9171.3000112.2Q262 V263 V264 K268 D269 W270Q262-L266 WeakPolarHBondContact O-CG 3.47Å; Q262-L266 PolarHBondContact O-N 3.46Å; Q262-L266 VanDerWaalsContact O-N 3.08Å; V263-L266 PolarHBondContact O-N 2.88Å; V264-L266 VanDerWaalsContact C-N 3.33Å; V264-L266 PolarHBondContact O-N 3.13Å; L266-K268 VanDerWaalsContact C-N 3.27Å; L266-K268 PolarHBondContact O-N 3.45Å; L266-D269 PolarHBondContact O-N 3.45Å; L266-W270 PolarHBondContact O-N 3.32Å
267I86.9Confident89.4Confident61 Ų6177.4 Ų77.431%0.31337%0.372SS..Hα-helixtrans-61.2-38.2177.8-70.2169.9000110.8V263 V264 D269 W270 F271 M274 I275V263-I267 HydrophobicContact CG1-CD1 3.77Å; V263-I267 HydrophobicContact CG1-CG1 4.3Å; V263-I267 VanDerWaalsContact O-CG1 3.3Å; V263-I267 WeakPolarHBondContact O-CG1 3.3Å; V263-I267 PolarHBondContact O-N 3.17Å; V264-I267 PolarHBondContact O-N 3.43Å; I267-D269 VanDerWaalsContact C-N 3.26Å; I267-D269 PolarHBondContact O-N 2.91Å; I267-W270 PolarHBondContact O-N 3.3Å; I267-F271 HydrophobicContact CG2-CD2 4.12Å; I267-F271 PolarHBondContact O-N 3.35Å; I267-M274 HydrophobicContact CG2-CE 3.78Å; I267-I275 HydrophobicContact CG2-CD1 3.9Å; I267-I275 HydrophobicContact CG2-CG1 4.04Å
268K88.3Confident89Confident49 Ų4981.9 Ų81.921%0.21339%0.392CS..Hα-helixtrans-53.7-43.3175.3175.2-163.2133.462.40112.3K173 M174 V264 T265 L266 W270 P272 I275K173-K268 WeakPolarHBondContact O-CE 3.29Å; M174-K268 HydrophobicContact CB-CD 4.3Å; M174-K268 HydrophobicContact CE-CB 4.24Å; M174-K268 HydrophobicContact CE-CD 4.43Å; M174-K268 HydrophobicContact CG-CD 3.69Å; M174-K268 HydrophobicContact SD-CB 4.49Å; V264-K268 PolarHBondContact O-N 3.35Å; V264-K268 VanDerWaalsContact O-N 3.13Å; T265-K268 WeakPolarHBondContact O-CB 3.36Å; L266-K268 VanDerWaalsContact C-N 3.27Å; L266-K268 PolarHBondContact O-N 3.45Å; K268-W270 VanDerWaalsContact C-N 3.29Å; K268-W270 PolarHBondContact O-N 3.37Å; K268-P272 WeakPolarHBondContact O-CA 3.47Å; K268-I275 HydrophobicContact CB-CG1 4.29Å; K268-I275 HydrophobicContact CB-CG2 4.22Å; K268-I275 HydrophobicContact CG-CG2 4.2Å
269D86.6Confident88.7Confident111 Ų11182.4 Ų82.459%0.59440%0.395SS*.Hα-helixtrans-72.4-27.3-175.1-66-21000112L266 I267L266-D269 PolarHBondContact O-N 3.45Å; I267-D269 VanDerWaalsContact C-N 3.26Å; I267-D269 PolarHBondContact O-N 2.91Å
270W90.1Very high88.7Confident204 Ų20480.1 Ų80.177%0.77339%0.392SS*.Hα-helixtrans-91-31.8-179.7-67.623.9000112.5L266 I267 K268 P272L266-W270 PolarHBondContact O-N 3.32Å; I267-W270 PolarHBondContact O-N 3.3Å; K268-W270 VanDerWaalsContact C-N 3.29Å; K268-W270 PolarHBondContact O-N 3.37Å; W270-P272 VanDerWaalsContact C-CD 3.5Å
271F91.7Very high88.6Confident107 Ų10781.3 Ų81.347%0.46940%0.402SS..  trans-133.260.5-174.1-54.4-78.5000112.4I267 S273 M274 I275I267-F271 HydrophobicContact CG2-CD2 4.12Å; I267-F271 PolarHBondContact O-N 3.35Å; F271-S273 PolarHBondContact O-N 3.47Å; F271-M274 HydrophobicContact CB-CB 4.16Å; F271-M274 HydrophobicContact CB-CE 3.65Å; F271-M274 HydrophobicContact CD2-CE 4.29Å; F271-M274 HydrophobicContact CG-CE 4.04Å; F271-M274 PolarHBondContact O-N 2.92Å; F271-I275 PolarHBondContact O-N 2.94Å; F271-I275 VanDerWaalsContact O-N 3.14Å
272P89.3Confident88.3Confident60 Ų6083.9 Ų83.939%0.3942%0.42SS..Hα-helixtrans-61.6-39.8-172.423.1-34000113.2K268 W270 M274 I275 N276K268-P272 WeakPolarHBondContact O-CA 3.47Å; W270-P272 VanDerWaalsContact C-CD 3.5Å; P272-M274 PolarHBondContact O-N 2.88Å; P272-I275 PolarHBondContact O-N 3.34Å; P272-N276 WeakPolarHBondContact O-CB 3.5Å; P272-N276 PolarHBondContact O-N 2.77Å; P272-N276 PolarHBondContact O-ND2 3.08Å; P272-N276 PolarHBondContact O-OD1 3.29Å
273S90.2Very high87.9Confident98 Ų9880.5 Ų80.569%0.68540%0.403SS*.Hα-helixtrans-63.9-40.2179.7-52.20000112.7F271 N276 Y277F271-S273 PolarHBondContact O-N 3.47Å; S273-N276 PolarHBondContact O-N 3.06Å; S273-Y277 PolarHBondContact O-N 3.38Å; S273-Y277 VanDerWaalsContact O-N 3.08Å
274M89.1Confident87.4Confident86 Ų8682.5 Ų82.542%0.42441%0.412SS..Hα-helixtrans-65.7-46.3177.6179.7-179.36600110.7I267 F271 P272 Y277 F278I267-M274 HydrophobicContact CG2-CE 3.78Å; F271-M274 HydrophobicContact CB-CB 4.16Å; F271-M274 HydrophobicContact CB-CE 3.65Å; F271-M274 HydrophobicContact CD2-CE 4.29Å; F271-M274 HydrophobicContact CG-CE 4.04Å; F271-M274 PolarHBondContact O-N 2.92Å; P272-M274 PolarHBondContact O-N 2.88Å; M274-Y277 WeakPolarHBondContact O-CB 3.33Å; M274-Y277 PolarHBondContact O-N 3.14Å; M274-F278 HydrophobicContact CG-CD2 3.91Å; M274-F278 HydrophobicContact CG-CE2 3.6Å; M274-F278 WeakPolarHBondContact O-CD2 3.2Å; M274-F278 PolarHBondContact O-N 3.43Å; M274-F278 HydrophobicContact SD-CE2 4.17Å
275I88.9Confident87.1Confident16 Ų1685.8 Ų85.88%0.08242%0.42CS..Hα-helixtrans-64.4-40.6178-71.7-56.8000111.7M174 I267 K268 F271 P272 Y277 F278 I279M174-I275 HydrophobicContact CE-CG2 3.44Å; M174-I275 VanDerWaalsContact CE-CG2 3.44Å; I267-I275 HydrophobicContact CG2-CD1 3.9Å; I267-I275 HydrophobicContact CG2-CG1 4.04Å; K268-I275 HydrophobicContact CB-CG1 4.29Å; K268-I275 HydrophobicContact CB-CG2 4.22Å; K268-I275 HydrophobicContact CG-CG2 4.2Å; F271-I275 PolarHBondContact O-N 2.94Å; F271-I275 VanDerWaalsContact O-N 3.14Å; P272-I275 PolarHBondContact O-N 3.34Å; I275-Y277 VanDerWaalsContact C-N 3.32Å; I275-Y277 PolarHBondContact O-N 2.85Å; I275-F278 PolarHBondContact O-N 3.03Å; I275-I279 HydrophobicContact CG2-CD1 3.62Å; I275-I279 HydrophobicContact CG2-CG1 4.23Å; I275-I279 WeakPolarHBondContact O-CB 3.28Å; I275-I279 VanDerWaalsContact O-CG1 3.29Å; I275-I279 WeakPolarHBondContact O-CG1 3.42Å; I275-I279 PolarHBondContact O-N 3.26Å
276N89.3Confident86.5Confident72 Ų7292.8 Ų92.839%0.38546%0.455SS..Hα-helixtrans-60.1-42.5175.3-71.6-13.3000111.8P272 S273 I279 Q280P272-N276 WeakPolarHBondContact O-CB 3.5Å; P272-N276 PolarHBondContact O-N 2.77Å; P272-N276 PolarHBondContact O-ND2 3.08Å; P272-N276 PolarHBondContact O-OD1 3.29Å; S273-N276 PolarHBondContact O-N 3.06Å; N276-I279 PolarHBondContact O-N 3.33Å; N276-Q280 WeakPolarHBondContact O-CB 3.49Å; N276-Q280 VanDerWaalsContact O-CG 3.3Å; N276-Q280 WeakPolarHBondContact O-CG 3.47Å; N276-Q280 PolarHBondContact O-N 3.2Å
277Y88.6Confident85.9Confident149 Ų14995.8 Ų95.858%0.58448%0.48SS*.Hα-helixtrans-59.1-48.9174.7178.3-93.6000111.4S273 M274 I275 I279 Q280 N281S273-Y277 PolarHBondContact O-N 3.38Å; S273-Y277 VanDerWaalsContact O-N 3.08Å; M274-Y277 WeakPolarHBondContact O-CB 3.33Å; M274-Y277 PolarHBondContact O-N 3.14Å; I275-Y277 VanDerWaalsContact C-N 3.32Å; I275-Y277 PolarHBondContact O-N 2.85Å; Y277-I279 PolarHBondContact O-N 2.83Å; Y277-Q280 PolarHBondContact O-N 2.99Å; Y277-N281 WeakPolarHBondContact CE2-ND2 3.41Å; Y277-N281 PolarHBondContact O-N 3.33Å; Y277-N281 PolarHBondContact O-ND2 3.48Å
278F87.4Confident85.8Confident113 Ų11397.6 Ų97.650%0.49649%0.489SS..Hα-helixtrans-60.5-46.1177.2-78.6-65.6000112.2M274 I275 Q280 N281 S282M274-F278 HydrophobicContact CG-CD2 3.91Å; M274-F278 HydrophobicContact CG-CE2 3.6Å; M274-F278 WeakPolarHBondContact O-CD2 3.2Å; M274-F278 PolarHBondContact O-N 3.43Å; M274-F278 HydrophobicContact SD-CE2 4.17Å; I275-F278 PolarHBondContact O-N 3.03Å; F278-Q280 PolarHBondContact O-N 3.45Å; F278-N281 PolarHBondContact O-N 3.32Å; F278-S282 VanDerWaalsContact O-CB 3.3Å; F278-S282 WeakPolarHBondContact O-CB 3.34Å; F278-S282 PolarHBondContact O-N 3.35Å; F278-S282 PolarHBondContact O-OG 3.17Å
279I88.4Confident85.7Confident19 Ų19100.1 Ų100.110%0.09750%0.503CS..Hα-helixtrans-57.8-48.7179.6-71.7170.2000110.6M174 P177 I275 N276 Y277 N281 S282 Y283M174-I279 HydrophobicContact CE-CD1 4.09Å; P177-I279 HydrophobicContact CG-CG2 4.09Å; I275-I279 HydrophobicContact CG2-CD1 3.62Å; I275-I279 HydrophobicContact CG2-CG1 4.23Å; I275-I279 WeakPolarHBondContact O-CB 3.28Å; I275-I279 VanDerWaalsContact O-CG1 3.29Å; I275-I279 WeakPolarHBondContact O-CG1 3.42Å; I275-I279 PolarHBondContact O-N 3.26Å; N276-I279 PolarHBondContact O-N 3.33Å; Y277-I279 PolarHBondContact O-N 2.83Å; I279-N281 VanDerWaalsContact C-N 3.26Å; I279-N281 PolarHBondContact O-N 3.07Å; I279-S282 PolarHBondContact O-N 2.89Å; I279-Y283 HydrophobicContact CG2-CE2 4.28Å; I279-Y283 WeakPolarHBondContact O-CD2 3.4Å; I279-Y283 VanDerWaalsContact O-CE2 3.25Å; I279-Y283 WeakPolarHBondContact O-CE2 3.42Å
280Q87.4Confident85.6Confident140 Ų14099.5 Ų99.565%0.65450%0.498SS*.Hα-helixtrans-66.7-26.2-177.3-70.5170.1-11.800113.3N276 Y277 F278N276-Q280 WeakPolarHBondContact O-CB 3.49Å; N276-Q280 VanDerWaalsContact O-CG 3.3Å; N276-Q280 WeakPolarHBondContact O-CG 3.47Å; N276-Q280 PolarHBondContact O-N 3.2Å; Y277-Q280 PolarHBondContact O-N 2.99Å; F278-Q280 PolarHBondContact O-N 3.45Å
281N85Confident85.4Confident102 Ų10293.4 Ų93.455%0.54548%0.482SS..Hα-helixtrans-101.40.8-178.4-68-84.6000113.8Y277 F278 I279Y277-N281 WeakPolarHBondContact CE2-ND2 3.41Å; Y277-N281 PolarHBondContact O-N 3.33Å; Y277-N281 PolarHBondContact O-ND2 3.48Å; F278-N281 PolarHBondContact O-N 3.32Å; I279-N281 VanDerWaalsContact C-N 3.26Å; I279-N281 PolarHBondContact O-N 3.07Å
282S82.2Confident85Confident58 Ų5892.5 Ų92.541%0.40648%0.483SS..SBendtrans-91.4-1.4-178.9-65.70000114.5F278 I279F278-S282 VanDerWaalsContact O-CB 3.3Å; F278-S282 WeakPolarHBondContact O-CB 3.34Å; F278-S282 PolarHBondContact O-N 3.35Å; F278-S282 PolarHBondContact O-OG 3.17Å; I279-S282 PolarHBondContact O-N 2.89Å
283Y82.5Confident84.7Confident26 Ų2694.7 Ų94.710%0.10249%0.489CS..SBendtrans-120.9140.7-178.8-59-86.5000110.9F125 N176 P177 F178 V229 I279 Y285F125-Y283 HydrophobicContact CE1-CD1 4.39Å; F125-Y283 HydrophobicContact CE1-CE1 4.46Å; F125-Y283 HydrophobicContact CZ-CD1 4.24Å; F125-Y283 AromaticContact CZ-CE1 3.88Å; F125-Y283 HydrophobicContact CZ-CE1 3.88Å; N176-Y283 WeakPolarHBondContact CB-OH 3.33Å; N176-Y283 PolarHBondContact ND2-OH 3.36Å; P177-Y283 HydrophobicContact CB-CD2 4.45Å; P177-Y283 HydrophobicContact CG-CD2 4.23Å; P177-Y283 HydrophobicContact CG-CE2 4.18Å; F178-Y283 AromaticContact CD2-CD1 3.47Å; F178-Y283 HydrophobicContact CD2-CD1 3.47Å; F178-Y283 VanDerWaalsContact CD2-CD1 3.47Å; F178-Y283 HydrophobicContact CD2-CD2 4.27Å; F178-Y283 AromaticContact CD2-CE1 4Å; F178-Y283 HydrophobicContact CD2-CE1 4Å; F178-Y283 AromaticContact CD2-CG 3.65Å; F178-Y283 HydrophobicContact CD2-CG 3.65Å; F178-Y283 AromaticContact CE2-CD1 3.71Å; F178-Y283 HydrophobicContact CE2-CD1 3.71Å; F178-Y283 HydrophobicContact CE2-CD2 4.03Å; F178-Y283 AromaticContact CE2-CG 3.4Å; F178-Y283 HydrophobicContact CE2-CG 3.4Å; V229-Y283 HydrophobicContact CG1-CD1 4.5Å; I279-Y283 HydrophobicContact CG2-CE2 4.28Å; I279-Y283 WeakPolarHBondContact O-CD2 3.4Å; I279-Y283 VanDerWaalsContact O-CE2 3.25Å; I279-Y283 WeakPolarHBondContact O-CE2 3.42Å; Y283-Y285 PolarHBondContact O-N 3.38Å
284N78.9Confident84.3Confident109 Ų10994.4 Ų94.458%0.58348%0.475SS*.  trans-79.7110.8171.3-64.1-31.4000109G228 V229G228-N284 PolarHBondContact O-ND2 3.36Å; V229-N284 PolarHBondContact O-N 2.92Å
285Y80.8Confident83.9Confident115 Ų11595.1 Ų95.145%0.45148%0.479SS..  trans-136.5127.5174.8-176.3-108.2000110.2M127 F178 Y283 P287M127-Y285 HydrophobicContact CE-CD1 3.74Å; M127-Y285 HydrophobicContact CE-CD2 3.76Å; M127-Y285 HydrophobicContact CE-CE1 3.78Å; M127-Y285 HydrophobicContact CE-CE2 3.79Å; M127-Y285 HydrophobicContact CE-CG 3.74Å; M127-Y285 HydrophobicContact CG-CD2 4.14Å; M127-Y285 HydrophobicContact CG-CE2 3.47Å; M127-Y285 VanDerWaalsContact CG-CE2 3.47Å; F178-Y285 AromaticContact CE1-CD2 3.9Å; F178-Y285 HydrophobicContact CE1-CD2 3.9Å; F178-Y285 AromaticContact CZ-CD2 3.99Å; F178-Y285 HydrophobicContact CZ-CD2 3.99Å; F178-Y285 HydrophobicContact CZ-CG 4.2Å; Y283-Y285 PolarHBondContact O-N 3.38Å; Y285-P287 HydrophobicContact CD1-CG 4.16Å; Y285-P287 HydrophobicContact CE1-CB 4Å; Y285-P287 HydrophobicContact CE1-CG 3.93Å
286I75Confident83.5Confident159 Ų159101.7 Ų101.782%0.81551%0.512SS*.  trans-110.2113.9171.7-58.1174.6000105.3
287P76.8Confident83Confident158 Ų158104.4 Ų104.4100%1.02652%0.524SS*.  trans-57.40-178.7-23.332.4000114.8Y285Y285-P287 HydrophobicContact CD1-CG 4.16Å; Y285-P287 HydrophobicContact CE1-CB 4Å; Y285-P287 HydrophobicContact CE1-CG 3.93Å

Retrieved 287 of 287 residues in 697.3 ms (Link to these results)

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