A0A087XNW0_POEFO Loading...

von Willebrand factor A domain containing 5B1

AlphaFold DB , UniProt , Accession A0A087XNW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,265 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
1M63.1Low80.9Confident60 Ų6047.6 Ų47.630%0.29626%0.256SS..  089.90-71.2-168.474.300109.2P52 P156 L204 L205 D207 A209M1-P52 HydrophobicContact CE-CB 4.34Å; M1-P52 HydrophobicContact CE-CG 4.08Å; M1-P156 HydrophobicContact CE-CB 3.76Å; M1-P156 HydrophobicContact CE-CG 3.86Å; M1-P156 HydrophobicContact SD-CB 4.12Å; M1-P156 HydrophobicContact SD-CG 4.39Å; M1-L204 PolarHBondContact N-O 2.71Å; M1-L205 WeakPolarHBondContact CG-O 3.17Å; M1-L205 PolarHBondContact N-O 2.71Å; M1-D207 PolarHBondContact N-O 3.48Å; M1-A209 HydrophobicContact CB-CB 3.96Å; M1-A209 WeakPolarHBondContact O-CB 3.49Å
2P67.8Low81.4Confident11 Ų1148.6 Ų48.67%0.07128%0.275CS..  trans-89.9147.8-1720.121000111.6I5 I50 V157 L204P2-I5 HydrophobicContact CB-CG2 3.62Å; P2-I50 HydrophobicContact CB-CB 4.12Å; P2-I50 HydrophobicContact CB-CD1 4.12Å; P2-I50 HydrophobicContact CG-CB 4.22Å; P2-I50 HydrophobicContact CG-CD1 3.84Å; P2-I50 HydrophobicContact CG-CG2 4.16Å; P2-I50 CarbonylContact O-C 3.32Å; P2-V157 WeakPolarHBondContact O-CG2 3.17Å; P2-L204 VanDerWaalsContact CD-O 3.26Å; P2-L204 WeakPolarHBondContact CD-O 3.31Å; P2-L204 HydrophobicContact CG-CB 3.81Å; P2-L204 WeakPolarHBondContact CG-O 3.16Å
3G85.1Confident82.1Confident11 Ų1145.5 Ų45.511%0.11326%0.258CS..SBendtrans-95.9-117.2159.600000109.8I50G3-I50 PolarHBondContact O-N 3.45Å
4L90.6Very high82.7Confident0 Ų042.6 Ų42.60%024%0.242CC..EExtended strand (participates in β ladder)trans-77.9126.3168.8-174.357.4000111.1A12 L13 Y37 F49 L123 I126 V132 I134L4-A12 WeakPolarHBondContact O-CA 3.43Å; L4-L13 HydrophobicContact CD2-CB 4.44Å; L4-L13 HydrophobicContact CD2-CD2 3.73Å; L4-L13 HydrophobicContact CG-CB 4.4Å; L4-L13 HydrophobicContact CG-CD1 4.48Å; L4-L13 HydrophobicContact CG-CD2 4.15Å; L4-L13 PolarHBondContact O-N 3.41Å; L4-Y37 HydrophobicContact CB-CD1 3.79Å; L4-Y37 HydrophobicContact CB-CD2 3.94Å; L4-Y37 HydrophobicContact CB-CE1 3.85Å; L4-Y37 HydrophobicContact CB-CE2 4.02Å; L4-Y37 HydrophobicContact CB-CG 3.83Å; L4-Y37 HydrophobicContact CD2-CD1 4.49Å; L4-Y37 HydrophobicContact CD2-CD2 4.1Å; L4-Y37 HydrophobicContact CD2-CG 3.87Å; L4-Y37 HydrophobicContact CG-CG 4.49Å; L4-F49 HydrophobicContact CB-CD2 4.23Å; L4-F49 HydrophobicContact CD1-CB 4.31Å; L4-L123 HydrophobicContact CD1-CD1 3.74Å; L4-I126 HydrophobicContact CD1-CD1 4.33Å; L4-I126 HydrophobicContact CD2-CD1 4.05Å; L4-V132 HydrophobicContact CD2-CB 3.93Å; L4-V132 HydrophobicContact CD2-CG1 3.99Å; L4-V132 HydrophobicContact CD2-CG2 4.08Å; L4-I134 HydrophobicContact CB-CD1 4.44Å; L4-I134 HydrophobicContact CD2-CD1 4.38Å
5I89.7Confident83.4Confident5 Ų539.9 Ų39.93%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-124147.3175.965.3171.3000112.1P2 C11 A12 I48 I50 L204P2-I5 HydrophobicContact CB-CG2 3.62Å; I5-C11 WeakPolarHBondContact CA-O 3.44Å; I5-A12 HydrophobicContact CG2-CB 4.36Å; I5-I48 HydrophobicContact CG1-CB 4.19Å; I5-I48 WeakPolarHBondContact CG1-O 3.24Å; I5-I48 PolarHBondContact N-O 3.41Å; I5-I48 PolarHBondContact O-N 2.94Å; I5-I50 HydrophobicContact CD1-CD1 3.93Å; I5-L204 HydrophobicContact CD1-CD1 4.22Å
6N88.5Confident84.1Confident3 Ų338.4 Ų38.42%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-74.1121.8165.1175-17.6000108.6E8 S9 Q10 C11 L13 E41 I45N6-E8 VanDerWaalsContact C-N 3.33Å; N6-E8 PolarHBondContact O-N 2.95Å; N6-E8 PolarHBondContact OD1-N 3.43Å; N6-S9 VanDerWaalsContact CB-OG 3.31Å; N6-S9 WeakPolarHBondContact CB-OG 3.35Å; N6-S9 PolarHBondContact ND2-OG 3.31Å; N6-S9 PolarHBondContact OD1-N 3.16Å; N6-Q10 WeakPolarHBondContact O-CA 3.49Å; N6-Q10 PolarHBondContact O-N 3.37Å; N6-C11 PolarHBondContact N-O 3.49Å; N6-L13 HydrophobicContact CB-CD1 4.09Å; N6-E41 VanDerWaalsContact ND2-CD 3.27Å; N6-E41 PolarHBondContact ND2-OE1 3.06Å; N6-E41 PolarHBondContact ND2-OE2 3.45Å; N6-I45 HydrophobicContact CB-CD1 4.14Å; N6-I45 WeakPolarHBondContact ND2-CG2 3.43Å
7K83.9Confident84.7Confident38 Ų3838.4 Ų38.417%0.16522%0.219CC..THydrogen-bonded Turntrans-64.2-32.2-176.5-177.9-174.3179.3-173.80113.8E46 I48 G106K7-E46 HydrophobicContact CB-CB 4.17Å; K7-E46 VanDerWaalsContact CB-O 3.23Å; K7-E46 WeakPolarHBondContact CB-O 3.25Å; K7-E46 HydrophobicContact CD-CB 4.04Å; K7-E46 HydrophobicContact CD-CG 3.9Å; K7-E46 WeakPolarHBondContact CD-OE1 3.32Å; K7-E46 VanDerWaalsContact CD-OE2 3.25Å; K7-E46 WeakPolarHBondContact CD-OE2 3.28Å; K7-E46 PolarHBondContact N-O 2.88Å; K7-E46 IonicContact NZ-OE1 3.7Å; K7-E46 PolarHBondContact NZ-OE1 3.21Å; K7-E46 IonicContact NZ-OE2 3.13Å; K7-E46 PolarHBondContact NZ-OE2 3.21Å; K7-I48 HydrophobicContact CB-CD1 4.03Å; K7-I48 HydrophobicContact CB-CG1 4.28Å; K7-I48 HydrophobicContact CD-CD1 3.93Å; K7-I48 HydrophobicContact CG-CD1 3.74Å; K7-I48 HydrophobicContact CG-CG1 4.46Å; K7-G106 WeakPolarHBondContact CE-O 3.29Å
8E81.3Confident85.3Confident163 Ų16336.2 Ų36.276%0.76221%0.207SC*.THydrogen-bonded Turntrans-83.6-50-177.4-62.2-164.3171.600111.7N6N6-E8 VanDerWaalsContact C-N 3.33Å; N6-E8 PolarHBondContact O-N 2.95Å; N6-E8 PolarHBondContact OD1-N 3.43Å
9S79.9Confident85.8Confident56 Ų5636.7 Ų36.739%0.39221%0.209SC..THydrogen-bonded Turntrans-82.3-18.5-177.9710000113.8N6 C11N6-S9 VanDerWaalsContact CB-OG 3.31Å; N6-S9 WeakPolarHBondContact CB-OG 3.35Å; N6-S9 PolarHBondContact ND2-OG 3.31Å; N6-S9 PolarHBondContact OD1-N 3.16Å; S9-C11 PolarHBondContact O-N 3.41Å; S9-C11 PolarHBondContact OG-N 3.18Å
10Q77.3Confident86.3Confident105 Ų10534.9 Ų34.949%0.49120%0.199SC..  trans62.311.7-174-59.3163.230.900113.9N6 L199N6-Q10 WeakPolarHBondContact O-CA 3.49Å; N6-Q10 PolarHBondContact O-N 3.37Å; Q10-L199 HydrophobicContact CG-CD2 4.32Å
11C82.4Confident86.6Confident72 Ų7235.5 Ų35.549%0.48620%0.203SC..PPolyproline II helixtrans-77.7144.1173.6-64.80000111I5 N6 S9I5-C11 WeakPolarHBondContact CA-O 3.44Å; N6-C11 PolarHBondContact N-O 3.49Å; S9-C11 PolarHBondContact O-N 3.41Å; S9-C11 PolarHBondContact OG-N 3.18Å
12A87.1Confident88.1Confident59 Ų5932.7 Ų32.749%0.48819%0.189SC..BIsolated β-bridgetrans-73.7141.516700000110.5L4 I5L4-A12 WeakPolarHBondContact O-CA 3.43Å; I5-A12 HydrophobicContact CG2-CB 4.36Å
13L90.1Very high89.3Confident9 Ų932.2 Ų32.25%0.04719%0.187CC..PPolyproline II helixtrans-76.1147.6171.4-88.969.2000110L4 N6 L15 Y37 N39 I45 I126L4-L13 HydrophobicContact CD2-CB 4.44Å; L4-L13 HydrophobicContact CD2-CD2 3.73Å; L4-L13 HydrophobicContact CG-CB 4.4Å; L4-L13 HydrophobicContact CG-CD1 4.48Å; L4-L13 HydrophobicContact CG-CD2 4.15Å; L4-L13 PolarHBondContact O-N 3.41Å; N6-L13 HydrophobicContact CB-CD1 4.09Å; L13-L15 PolarHBondContact O-N 3.07Å; L13-Y37 HydrophobicContact CB-CD1 4.17Å; L13-N39 HydrophobicContact CD2-CB 4.34Å; L13-I45 HydrophobicContact CD1-CD1 3.76Å; L13-I45 HydrophobicContact CD2-CD1 3.86Å; L13-I45 HydrophobicContact CG-CD1 4.26Å; L13-I126 HydrophobicContact CD2-CD1 4.33Å
14P91.1Very high89.7Confident5 Ų531.9 Ų31.93%0.03218%0.182CC..PPolyproline II helixtrans-61.7127.8172.126.7-33.7000110.4Y37 E38 I40 M213P14-Y37 VanDerWaalsContact O-CA 3.29Å; P14-Y37 WeakPolarHBondContact O-CA 3.44Å; P14-E38 WeakPolarHBondContact CD-O 3.15Å; P14-E38 HydrophobicContact CG-CB 4.41Å; P14-E38 WeakPolarHBondContact CG-O 3.48Å; P14-E38 PolarHBondContact O-N 2.71Å; P14-E38 VanDerWaalsContact O-N 3.13Å; P14-I40 HydrophobicContact CG-CD1 4.14Å; P14-I40 HydrophobicContact CG-CG1 4.15Å; P14-I40 HydrophobicContact CG-CG2 3.91Å; P14-M213 HydrophobicContact CB-CG 4.1Å; P14-M213 HydrophobicContact CB-SD 3.69Å
15L93.8Very high89.6Confident2 Ų233.4 Ų33.41%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-81130.3163.6-177.476.6000108L13 V17 M35 Y37 P160 N211 Y215L13-L15 PolarHBondContact O-N 3.07Å; L15-V17 WeakPolarHBondContact CD1-O 3.49Å; L15-M35 HydrophobicContact CD1-CB 3.77Å; L15-M35 HydrophobicContact CD1-CG 4.03Å; L15-Y37 HydrophobicContact CB-CD1 4.2Å; L15-Y37 HydrophobicContact CB-CE1 4.03Å; L15-Y37 HydrophobicContact CD1-CD1 4.22Å; L15-Y37 HydrophobicContact CD1-CD2 4.34Å; L15-Y37 HydrophobicContact CD1-CE1 3.88Å; L15-Y37 HydrophobicContact CD1-CE2 3.99Å; L15-Y37 HydrophobicContact CD1-CG 4.45Å; L15-P160 HydrophobicContact CD2-CG 3.6Å; L15-N211 PolarHBondContact N-OD1 3.43Å; L15-N211 PolarHBondContact O-ND2 2.68Å; L15-Y215 HydrophobicContact CD2-CD2 3.83Å; L15-Y215 HydrophobicContact CD2-CE2 3.84Å; L15-Y215 HydrophobicContact CD2-CG 4.21Å; L15-Y215 HydrophobicContact CG-CD2 4.35Å; L15-Y215 WeakPolarHBondContact O-CB 3.39Å
16S93.5Very high89.6Confident15 Ų1533.3 Ų33.311%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-111.5-27.8177.558.80000113.9T36 E38 Y215 E216S16-T36 PolarHBondContact N-O 2.98Å; S16-T36 PolarHBondContact OG-O 2.93Å; S16-E38 WeakPolarHBondContact CB-OE1 3.34Å; S16-E38 PolarHBondContact OG-OE1 3.46Å; S16-Y215 WeakPolarHBondContact O-CA 3.43Å; S16-Y215 WeakPolarHBondContact O-CB 3.19Å; S16-E216 PolarHBondContact O-N 3.16Å
17V95.2Very high89.7Confident38 Ų3833.2 Ų33.223%0.2319%0.188CC..EExtended strand (participates in β ladder)trans-139.1139.2173.2-173.80000110L15 M35 T36 E216L15-V17 WeakPolarHBondContact CD1-O 3.49Å; V17-M35 WeakPolarHBondContact O-CA 3.39Å; V17-T36 PolarHBondContact O-N 3.27Å; V17-E216 CarbonylContact C-O 3.53Å; V17-E216 WeakPolarHBondContact CA-O 3.38Å; V17-E216 HydrophobicContact CG1-CB 4.38Å; V17-E216 HydrophobicContact CG2-CB 4.39Å
18S95.4Very high90.2Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-140.8127.5159.5-171.10000112.9S34 M35 E216 F217 N218S18-S34 CarbonylContact C-O 3.57Å; S18-S34 WeakPolarHBondContact CA-O 3.37Å; S18-S34 PolarHBondContact OG-O 2.87Å; S18-M35 WeakPolarHBondContact OG-CG 3.38Å; S18-E216 PolarHBondContact N-O 3.35Å; S18-F217 WeakPolarHBondContact O-CA 3.31Å; S18-F217 WeakPolarHBondContact O-CD2 3.37Å; S18-N218 PolarHBondContact O-N 3.4Å; S18-N218 VanDerWaalsContact O-N 3.09Å
19D95.4Very high90.8Very high45 Ų4524.1 Ų24.124%0.24115%0.146CC..EExtended strand (participates in β ladder)trans-114122.6178.6-38.8-80.1000109.2A33 S34 N218D19-A33 CarbonylContact O-C 3.53Å; D19-A33 WeakPolarHBondContact O-CA 3.34Å; D19-S34 PolarHBondContact N-O 3.31Å; D19-S34 PolarHBondContact O-N 2.84Å; D19-S34 WeakPolarHBondContact OD2-CB 3.32Å; D19-S34 PolarHBondContact OD2-OG 2.5Å; D19-N218 WeakPolarHBondContact CA-O 3.4Å; D19-N218 HydrophobicContact CB-CB 4.28Å; D19-N218 WeakPolarHBondContact OD1-CB 3.22Å; D19-N218 PolarHBondContact OD1-ND2 3.34Å
20I95Very high91.5Very high1 Ų121.5 Ų21.51%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-108.5115.2174.9-56.9-177.7000108.6L31 C158 T159 F217 N218 F219 Q220I20-L31 HydrophobicContact CG2-CD1 3.89Å; I20-L31 HydrophobicContact CG2-CG 4.06Å; I20-C158 HydrophobicContact CD1-CB 3.62Å; I20-C158 HydrophobicContact CG1-CB 4.04Å; I20-T159 HydrophobicContact CD1-CG2 4.46Å; I20-F217 HydrophobicContact CD1-CE2 3.69Å; I20-F217 HydrophobicContact CD1-CZ 3.86Å; I20-F217 HydrophobicContact CG1-CE2 3.97Å; I20-F217 HydrophobicContact CG1-CZ 4.34Å; I20-N218 PolarHBondContact N-O 2.82Å; I20-F219 HydrophobicContact CB-CD2 4.05Å; I20-F219 HydrophobicContact CG2-CD2 4.07Å; I20-F219 HydrophobicContact CG2-CE2 4.25Å; I20-F219 WeakPolarHBondContact O-CA 3.31Å; I20-Q220 PolarHBondContact O-N 2.91Å
21T93.4Very high92.3Very high47 Ų4716.7 Ų16.729%0.28811%0.105SC..EExtended strand (participates in β ladder)trans-112129.3168.356.50000108.8T32 Q220T21-T32 PolarHBondContact N-O 2.92Å; T21-T32 PolarHBondContact O-N 3.26Å; T21-T32 VanDerWaalsContact O-O 3.13Å; T21-T32 PolarHBondContact OG1-O 2.76Å; T21-Q220 CarbonylContact C-O 3.59Å; T21-Q220 WeakPolarHBondContact CA-O 3.47Å; T21-Q220 HydrophobicContact CG2-CB 4.49Å
22C94.1Very high92.8Very high1 Ų113.7 Ų13.71%0.0079%0.085CC..EExtended strand (participates in β ladder)trans-146.3160.5-177.863.20000113.1L29 A30 L31 Q220 L221 E222C22-L29 HydrophobicContact CB-CD1 3.97Å; C22-A30 CarbonylContact C-O 3.58Å; C22-A30 WeakPolarHBondContact CA-O 3.44Å; C22-A30 VanDerWaalsContact CB-O 3.23Å; C22-A30 WeakPolarHBondContact CB-O 3.32Å; C22-L31 HydrophobicContact CB-CB 4.04Å; C22-L31 HydrophobicContact CB-CD1 4.39Å; C22-L31 HydrophobicContact CB-CG 4.18Å; C22-Q220 PolarHBondContact N-O 3.31Å; C22-L221 CarbonylContact O-C 3.57Å; C22-L221 WeakPolarHBondContact O-CA 3.24Å; C22-E222 PolarHBondContact O-N 3.22Å
23C92.6Very high93.2Very high2 Ų210.9 Ų10.91%0.0146%0.062CC..EExtended strand (participates in β ladder)trans-138129.9-176-170.30000110.4L29 A30 E222 W857C23-L29 WeakPolarHBondContact O-CA 3.27Å; C23-A30 PolarHBondContact N-O 3.02Å; C23-A30 PolarHBondContact O-N 3.45Å; C23-E222 CarbonylContact C-O 3.3Å; C23-E222 VanDerWaalsContact CA-O 3.22Å; C23-E222 WeakPolarHBondContact CA-O 3.42Å; C23-W857 HydrophobicContact CB-CB 4.29Å; C23-W857 HydrophobicContact CB-CD2 3.41Å; C23-W857 VanDerWaalsContact CB-CD2 3.41Å; C23-W857 HydrophobicContact CB-CE3 3.33Å; C23-W857 HydrophobicContact CB-CG 3.86Å; C23-W857 HydrophobicContact CB-CH2 4.18Å; C23-W857 HydrophobicContact CB-CZ2 4.26Å; C23-W857 HydrophobicContact CB-CZ3 3.74Å
24V92.8Very high93.4Very high3 Ų312.2 Ų12.22%0.0187%0.071CC..EExtended strand (participates in β ladder)trans-107.1124.7176.8172.50000109.9G26 T28 L29 L142 V152 L221 E222 R224 I271V24-G26 WeakPolarHBondContact CG1-O 3.16Å; V24-T28 WeakPolarHBondContact CA-O 3.49Å; V24-L29 HydrophobicContact CG2-CD1 3.58Å; V24-L142 HydrophobicContact CG1-CD1 3.97Å; V24-L142 HydrophobicContact CG2-CD1 4.01Å; V24-V152 HydrophobicContact CG2-CG2 3.92Å; V24-L221 HydrophobicContact CB-CD1 4.28Å; V24-L221 HydrophobicContact CG2-CD1 3.59Å; V24-E222 PolarHBondContact N-O 2.96Å; V24-R224 PolarHBondContact O-N 3.41Å; V24-I271 HydrophobicContact CB-CD1 4.25Å; V24-I271 HydrophobicContact CG1-CD1 3.99Å; V24-I271 HydrophobicContact CG2-CD1 4.1Å
25R89.9Confident93.6Very high32 Ų3212 Ų1212%0.1217%0.07CC..EExtended strand (participates in β ladder)trans-128.9101.6175.3-77.1172.768.8-147.2-8109.5Y27 T28 R224 E284 W857 F861R25-Y27 PolarHBondContact O-N 3.32Å; R25-T28 PolarHBondContact N-O 3.43Å; R25-T28 PolarHBondContact O-N 2.96Å; R25-T28 PolarHBondContact O-OG1 2.83Å; R25-R224 HydrophobicContact CG-CB 3.7Å; R25-E284 IonicContact CZ-OE2 2.78Å; R25-E284 IonicContact NH1-OE2 3.09Å; R25-E284 PolarHBondContact NH1-OE2 3Å; R25-E284 IonicContact NH2-OE2 3.69Å; R25-E284 PolarHBondContact NH2-OE2 3.14Å; R25-W857 PolarHBondContact NH1-O 3.1Å; R25-W857 VanDerWaalsContact NH1-O 3.09Å; R25-F861 HydrophobicContact CB-CE1 3.82Å; R25-F861 HydrophobicContact CB-CZ 3.99Å; R25-F861 VanDerWaalsContact NH2-CE2 3.34Å; R25-F861 VanDerWaalsContact NH2-CZ 3.32Å
26G88.3Confident93.7Very high3 Ų312.6 Ų12.63%0.0317%0.074CC..THydrogen-bonded Turntrans58.3-131-169.600000111.3V24 T28V24-G26 WeakPolarHBondContact CG1-O 3.16Å; G26-T28 PolarHBondContact O-N 2.98Å
27Y91.6Very high93.8Very high2 Ų212.3 Ų12.31%0.0087%0.07CC..THydrogen-bonded Turntrans-86.727.5176.9-55.3-21.2000113.8R25 L142 T144 I150 P276 N337 C339 I563R25-Y27 PolarHBondContact O-N 3.32Å; Y27-L142 PolarHBondContact O-N 3.41Å; Y27-T144 HydrophobicContact CD1-CG2 4.27Å; Y27-T144 HydrophobicContact CE1-CG2 4.06Å; Y27-T144 HydrophobicContact CE2-CG2 4.41Å; Y27-I150 HydrophobicContact CD1-CD1 3.7Å; Y27-I150 HydrophobicContact CD1-CG1 3.84Å; Y27-I150 HydrophobicContact CE1-CD1 3.96Å; Y27-I150 HydrophobicContact CE1-CG1 3.96Å; Y27-P276 PolarHBondContact OH-O 3.41Å; Y27-N337 HydrophobicContact CD2-CB 3.59Å; Y27-N337 HydrophobicContact CE2-CB 3.75Å; Y27-N337 HydrophobicContact CG-CB 4.06Å; Y27-N337 PolarHBondContact N-ND2 2.86Å; Y27-N337 VanDerWaalsContact N-ND2 3.18Å; Y27-C339 HydrophobicContact CE2-CB 4.1Å; Y27-C339 WeakPolarHBondContact OH-CB 3.32Å; Y27-C339 PolarHBondContact OH-N 2.96Å; Y27-I563 HydrophobicContact CD2-CG1 4.25Å
28T93.8Very high93.6Very high0 Ų013.6 Ų13.60%07%0.074CC..EExtended strand (participates in β ladder)trans-126.1146.1177.965.50000112V24 R25 G26 S140 M335 F861 L864V24-T28 WeakPolarHBondContact CA-O 3.49Å; R25-T28 PolarHBondContact N-O 3.43Å; R25-T28 PolarHBondContact O-N 2.96Å; R25-T28 PolarHBondContact O-OG1 2.83Å; G26-T28 PolarHBondContact O-N 2.98Å; T28-S140 WeakPolarHBondContact CA-O 3.44Å; T28-M335 HydrophobicContact CG2-CE 3.91Å; T28-M335 HydrophobicContact CG2-SD 3.42Å; T28-M335 WeakPolarHBondContact CG2-SD 3.29Å; T28-F861 WeakPolarHBondContact OG1-CE1 3.36Å; T28-L864 HydrophobicContact CG2-CD1 3.45Å; T28-L864 VanDerWaalsContact CG2-CD1 3.45Å
29L94.2Very high93.4Very high9 Ų913.7 Ų13.75%0.0478%0.075CC..EExtended strand (participates in β ladder)trans-117134.3174.9-176.672.7000109.4C22 C23 V24 L31 S139 S140 L142 V152C22-L29 HydrophobicContact CB-CD1 3.97Å; C23-L29 WeakPolarHBondContact O-CA 3.27Å; V24-L29 HydrophobicContact CG2-CD1 3.58Å; L29-L31 HydrophobicContact CD2-CB 4.2Å; L29-L31 HydrophobicContact CD2-CD1 4.28Å; L29-L31 HydrophobicContact CG-CB 4.31Å; L29-S139 CarbonylContact O-C 3.58Å; L29-S139 VanDerWaalsContact O-CA 3.25Å; L29-S139 WeakPolarHBondContact O-CA 3.2Å; L29-S140 PolarHBondContact N-O 3.42Å; L29-S140 PolarHBondContact O-N 3.02Å; L29-L142 HydrophobicContact CB-CD1 4.1Å; L29-L142 HydrophobicContact CB-CD2 3.72Å; L29-L142 HydrophobicContact CB-CG 3.94Å; L29-L142 HydrophobicContact CD2-CD2 4.18Å; L29-L142 HydrophobicContact CG-CD2 4.46Å; L29-V152 HydrophobicContact CD1-CG1 4.05Å; L29-V152 HydrophobicContact CD2-CG1 4.22Å
30A94.2Very high93Very high1 Ų116.9 Ų16.91%0.0089%0.09CC..EExtended strand (participates in β ladder)trans-105.1131.1155.400000108.2C22 C23 W857 T860C22-A30 CarbonylContact C-O 3.58Å; C22-A30 WeakPolarHBondContact CA-O 3.44Å; C22-A30 VanDerWaalsContact CB-O 3.23Å; C22-A30 WeakPolarHBondContact CB-O 3.32Å; C23-A30 PolarHBondContact N-O 3.02Å; C23-A30 PolarHBondContact O-N 3.45Å; A30-W857 HydrophobicContact CB-CB 4.29Å; A30-W857 HydrophobicContact CB-CG 4.06Å; A30-T860 HydrophobicContact CB-CG2 4.11Å
31L93.8Very high92.7Very high4 Ų419 Ų192%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-132.3129.4-179.6179.7150.8000110.1I20 C22 L29 A33 S137 T138 P155I20-L31 HydrophobicContact CG2-CD1 3.89Å; I20-L31 HydrophobicContact CG2-CG 4.06Å; C22-L31 HydrophobicContact CB-CB 4.04Å; C22-L31 HydrophobicContact CB-CD1 4.39Å; C22-L31 HydrophobicContact CB-CG 4.18Å; L29-L31 HydrophobicContact CD2-CB 4.2Å; L29-L31 HydrophobicContact CD2-CD1 4.28Å; L29-L31 HydrophobicContact CG-CB 4.31Å; L31-A33 HydrophobicContact CD2-CB 4.05Å; L31-S137 CarbonylContact O-C 3.58Å; L31-S137 WeakPolarHBondContact O-CA 3.34Å; L31-T138 PolarHBondContact N-O 3.48Å; L31-T138 PolarHBondContact O-N 2.76Å; L31-T138 PolarHBondContact O-OG1 3Å; L31-P155 HydrophobicContact CD1-CG 4.24Å; L31-P155 HydrophobicContact CD2-CG 4.44Å
32T94.2Very high92.4Very high10 Ų1023.6 Ų23.66%0.06112%0.123CC..EExtended strand (participates in β ladder)trans-118.9115.2173.3-59.30000108.2T21 L135 V136 S137T21-T32 PolarHBondContact N-O 2.92Å; T21-T32 PolarHBondContact O-N 3.26Å; T21-T32 VanDerWaalsContact O-O 3.13Å; T21-T32 PolarHBondContact OG1-O 2.76Å; T32-L135 HydrophobicContact CG2-CD1 3.57Å; T32-L135 HydrophobicContact CG2-CG 4.33Å; T32-V136 CarbonylContact C-O 3.52Å; T32-V136 WeakPolarHBondContact CA-O 3.46Å; T32-S137 PolarHBondContact OG1-OG 2.6Å
33A94.2Very high92.3Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-108.1122.7176.100000110.6D19 L31 M35 L135 V136 C158D19-A33 CarbonylContact O-C 3.53Å; D19-A33 WeakPolarHBondContact O-CA 3.34Å; L31-A33 HydrophobicContact CD2-CB 4.05Å; A33-M35 HydrophobicContact CB-CE 4.16Å; A33-L135 WeakPolarHBondContact O-CA 3.32Å; A33-V136 PolarHBondContact N-O 2.88Å; A33-V136 PolarHBondContact O-N 2.89Å; A33-C158 WeakPolarHBondContact CB-SG 3.49Å
34S95.3Very high92.2Very high36 Ų3630.3 Ų30.325%0.25216%0.162SC..EExtended strand (participates in β ladder)trans-90.2137.4162.6175.70000108.6S18 D19S18-S34 CarbonylContact C-O 3.57Å; S18-S34 WeakPolarHBondContact CA-O 3.37Å; S18-S34 PolarHBondContact OG-O 2.87Å; D19-S34 PolarHBondContact N-O 3.31Å; D19-S34 PolarHBondContact O-N 2.84Å; D19-S34 WeakPolarHBondContact OD2-CB 3.32Å; D19-S34 PolarHBondContact OD2-OG 2.5Å
35M95.6Very high92.1Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-140.4127174.8-71.5159.4-76.600109.1L15 V17 S18 A33 Y37 F49 Y51 I134 V136 V157L15-M35 HydrophobicContact CD1-CB 3.77Å; L15-M35 HydrophobicContact CD1-CG 4.03Å; V17-M35 WeakPolarHBondContact O-CA 3.39Å; S18-M35 WeakPolarHBondContact OG-CG 3.38Å; A33-M35 HydrophobicContact CB-CE 4.16Å; M35-Y37 HydrophobicContact CB-CD2 4.29Å; M35-Y37 HydrophobicContact CB-CE2 3.61Å; M35-Y37 HydrophobicContact CG-CE2 4.43Å; M35-Y37 HydrophobicContact SD-CE2 4.42Å; M35-F49 HydrophobicContact CE-CE2 4.37Å; M35-F49 HydrophobicContact CE-CZ 3.8Å; M35-F49 HydrophobicContact SD-CE2 4.27Å; M35-F49 HydrophobicContact SD-CZ 4.16Å; M35-Y51 HydrophobicContact CE-CE2 4.38Å; M35-I134 HydrophobicContact CE-CG2 4.5Å; M35-I134 PolarHBondContact N-O 3.02Å; M35-I134 PolarHBondContact O-N 3.47Å; M35-V136 HydrophobicContact CE-CB 4.3Å; M35-V136 HydrophobicContact CE-CG2 3.62Å; M35-V157 HydrophobicContact SD-CG1 4.22Å
36T95.6Very high92.1Very high15 Ų1531.2 Ų31.29%0.09217%0.168CC..EExtended strand (participates in β ladder)trans-109.3124.3172.5-58.90000109.5S16 V17 V132 H133S16-T36 PolarHBondContact N-O 2.98Å; S16-T36 PolarHBondContact OG-O 2.93Å; V17-T36 PolarHBondContact O-N 3.27Å; T36-V132 WeakPolarHBondContact CA-O 3.35Å; T36-H133 VanDerWaalsContact CG2-CE1 3.42Å; T36-H133 WeakPolarHBondContact CG2-CE1 3.46Å; T36-H133 WeakPolarHBondContact CG2-ND1 3.21Å; T36-H133 PolarHBondContact OG1-ND1 3.22Å
37Y94.5Very high92.1Very high9 Ų931 Ų314%0.03517%0.166CC..EExtended strand (participates in β ladder)trans-114.3154.6175.6-63-93.8000110.4L4 L13 P14 L15 M35 F49 T131 V132 I134L4-Y37 HydrophobicContact CB-CD1 3.79Å; L4-Y37 HydrophobicContact CB-CD2 3.94Å; L4-Y37 HydrophobicContact CB-CE1 3.85Å; L4-Y37 HydrophobicContact CB-CE2 4.02Å; L4-Y37 HydrophobicContact CB-CG 3.83Å; L4-Y37 HydrophobicContact CD2-CD1 4.49Å; L4-Y37 HydrophobicContact CD2-CD2 4.1Å; L4-Y37 HydrophobicContact CD2-CG 3.87Å; L4-Y37 HydrophobicContact CG-CG 4.49Å; L13-Y37 HydrophobicContact CB-CD1 4.17Å; P14-Y37 VanDerWaalsContact O-CA 3.29Å; P14-Y37 WeakPolarHBondContact O-CA 3.44Å; L15-Y37 HydrophobicContact CB-CD1 4.2Å; L15-Y37 HydrophobicContact CB-CE1 4.03Å; L15-Y37 HydrophobicContact CD1-CD1 4.22Å; L15-Y37 HydrophobicContact CD1-CD2 4.34Å; L15-Y37 HydrophobicContact CD1-CE1 3.88Å; L15-Y37 HydrophobicContact CD1-CE2 3.99Å; L15-Y37 HydrophobicContact CD1-CG 4.45Å; M35-Y37 HydrophobicContact CB-CD2 4.29Å; M35-Y37 HydrophobicContact CB-CE2 3.61Å; M35-Y37 HydrophobicContact CG-CE2 4.43Å; M35-Y37 HydrophobicContact SD-CE2 4.42Å; Y37-F49 HydrophobicContact CE2-CE2 4.17Å; Y37-T131 CarbonylContact O-C 3.57Å; Y37-T131 WeakPolarHBondContact O-CA 3.49Å; Y37-V132 PolarHBondContact N-O 3.29Å; Y37-V132 PolarHBondContact O-N 3.04Å; Y37-I134 HydrophobicContact CD2-CD1 3.96Å; Y37-I134 HydrophobicContact CD2-CG1 4.39Å; Y37-I134 HydrophobicContact CE2-CD1 3.94Å
38E90.9Very high92.1Very high66 Ų6631 Ų3131%0.30817%0.166SC..EExtended strand (participates in β ladder)trans-123.5127.8-179.4-78.5163.3-14100111.5P14 S16 I40 T131P14-E38 WeakPolarHBondContact CD-O 3.15Å; P14-E38 HydrophobicContact CG-CB 4.41Å; P14-E38 WeakPolarHBondContact CG-O 3.48Å; P14-E38 PolarHBondContact O-N 2.71Å; P14-E38 VanDerWaalsContact O-N 3.13Å; S16-E38 WeakPolarHBondContact CB-OE1 3.34Å; S16-E38 PolarHBondContact OG-OE1 3.46Å; E38-I40 HydrophobicContact CB-CG2 4.34Å; E38-I40 PolarHBondContact O-N 3.37Å; E38-I40 VanDerWaalsContact O-N 3.12Å; E38-T131 HydrophobicContact CG-CG2 4.02Å
39N92.2Very high92Very high2 Ų231 Ų311%0.01117%0.166CC..  trans-80.491.3170.2-177.519.7000110.5L13 E41 H43 I45 I126 P127 M129 E130L13-N39 HydrophobicContact CD2-CB 4.34Å; N39-E41 PolarHBondContact O-N 3.11Å; N39-E41 WeakPolarHBondContact OD1-CB 3.36Å; N39-E41 PolarHBondContact OD1-N 3.38Å; N39-E41 VanDerWaalsContact OD1-N 3.1Å; N39-H43 PolarHBondContact ND2-O 2.97Å; N39-I45 HydrophobicContact CB-CD1 4.47Å; N39-I126 HydrophobicContact CB-CG2 3.81Å; N39-P127 PolarHBondContact ND2-O 2.83Å; N39-M129 VanDerWaalsContact O-CA 3.23Å; N39-M129 WeakPolarHBondContact O-CA 3.33Å; N39-M129 PolarHBondContact O-N 3.49Å; N39-E130 PolarHBondContact N-O 3.4Å
40I87.8Confident91.9Very high111 Ų11130.5 Ų30.557%0.56916%0.164SC*.  trans-78.21.5176.663.1166.5000114.3P14 E38 M129P14-I40 HydrophobicContact CG-CD1 4.14Å; P14-I40 HydrophobicContact CG-CG1 4.15Å; P14-I40 HydrophobicContact CG-CG2 3.91Å; E38-I40 HydrophobicContact CB-CG2 4.34Å; E38-I40 PolarHBondContact O-N 3.37Å; E38-I40 VanDerWaalsContact O-N 3.12Å; I40-M129 VanDerWaalsContact C-CE 3.48Å; I40-M129 WeakPolarHBondContact O-CE 3.24Å
41E87.3Confident91.7Very high47 Ų4730.7 Ų30.722%0.2216%0.164CC..SBendtrans-79.9146.7174.4-58.1-179.4-153.900110.5N6 N39 H43 I45 P128 M129N6-E41 VanDerWaalsContact ND2-CD 3.27Å; N6-E41 PolarHBondContact ND2-OE1 3.06Å; N6-E41 PolarHBondContact ND2-OE2 3.45Å; N39-E41 PolarHBondContact O-N 3.11Å; N39-E41 WeakPolarHBondContact OD1-CB 3.36Å; N39-E41 PolarHBondContact OD1-N 3.38Å; N39-E41 VanDerWaalsContact OD1-N 3.1Å; E41-H43 PolarHBondContact O-N 3.23Å; E41-H43 IonicContact OE2-CE1 3.22Å; E41-H43 PolarHBondContact OE2-CE1 3.04Å; E41-H43 IonicContact OE2-ND1 3.48Å; E41-H43 IonicContact OE2-NE2 3.5Å; E41-I45 HydrophobicContact CB-CG2 4.35Å; E41-I45 VanDerWaalsContact OE2-CG2 3.24Å; E41-I45 WeakPolarHBondContact OE2-CG2 3.37Å; E41-P128 WeakPolarHBondContact O-CB 3.42Å; E41-M129 VanDerWaalsContact O-CE 3.31Å; E41-M129 WeakPolarHBondContact O-CE 3.46Å
42D88.4Confident91.5Very high143 Ų14331.8 Ų31.877%0.76517%0.171SC*.SBendtrans-80.50-177.571.2-27.6000113.6
43H90.8Very high91.3Very high95 Ų9532.5 Ų32.544%0.4418%0.175SC..SBendtrans-124.4166.2172.658.175.6000112.2N39 E41N39-H43 PolarHBondContact ND2-O 2.97Å; E41-H43 PolarHBondContact O-N 3.23Å; E41-H43 IonicContact OE2-CE1 3.22Å; E41-H43 PolarHBondContact OE2-CE1 3.04Å; E41-H43 IonicContact OE2-ND1 3.48Å; E41-H43 IonicContact OE2-NE2 3.5Å
44A90.6Very high90.8Very high48 Ų4836.6 Ų36.640%0.39719%0.194SC..  trans-69.9154.4171.300000110.9I125 I126A44-I125 HydrophobicContact CB-CG2 3.76Å; A44-I126 CarbonylContact C-O 3.54Å; A44-I126 WeakPolarHBondContact CA-O 3.43Å; A44-I126 WeakPolarHBondContact CB-O 3.37Å
45I91.3Very high90.2Very high9 Ų938.1 Ų38.15%0.04620%0.197CC..EExtended strand (participates in β ladder)trans-136155.9-176.963.8170.5000110.6N6 L13 N39 E41 I125 I126N6-I45 HydrophobicContact CB-CD1 4.14Å; N6-I45 WeakPolarHBondContact ND2-CG2 3.43Å; L13-I45 HydrophobicContact CD1-CD1 3.76Å; L13-I45 HydrophobicContact CD2-CD1 3.86Å; L13-I45 HydrophobicContact CG-CD1 4.26Å; N39-I45 HydrophobicContact CB-CD1 4.47Å; E41-I45 HydrophobicContact CB-CG2 4.35Å; E41-I45 VanDerWaalsContact OE2-CG2 3.24Å; E41-I45 WeakPolarHBondContact OE2-CG2 3.37Å; I45-I125 CarbonylContact O-C 3.53Å; I45-I125 VanDerWaalsContact O-CA 3.31Å; I45-I125 WeakPolarHBondContact O-CA 3.35Å; I45-I126 HydrophobicContact CD1-CB 4.49Å; I45-I126 HydrophobicContact CD1-CD1 4.09Å; I45-I126 HydrophobicContact CG1-CB 3.88Å; I45-I126 HydrophobicContact CG1-CD1 4.17Å; I45-I126 PolarHBondContact N-O 3.45Å; I45-I126 PolarHBondContact O-N 3.49Å
46E89.4Confident89.7Confident45 Ų4542.1 Ų42.121%0.2122%0.218CC..EExtended strand (participates in β ladder)trans-90.7117.2166.5-165.1-177.3156.300109.8K7 N122 G124K7-E46 HydrophobicContact CB-CB 4.17Å; K7-E46 VanDerWaalsContact CB-O 3.23Å; K7-E46 WeakPolarHBondContact CB-O 3.25Å; K7-E46 HydrophobicContact CD-CB 4.04Å; K7-E46 HydrophobicContact CD-CG 3.9Å; K7-E46 WeakPolarHBondContact CD-OE1 3.32Å; K7-E46 VanDerWaalsContact CD-OE2 3.25Å; K7-E46 WeakPolarHBondContact CD-OE2 3.28Å; K7-E46 PolarHBondContact N-O 2.88Å; K7-E46 IonicContact NZ-OE1 3.7Å; K7-E46 PolarHBondContact NZ-OE1 3.21Å; K7-E46 IonicContact NZ-OE2 3.13Å; K7-E46 PolarHBondContact NZ-OE2 3.21Å; E46-N122 PolarHBondContact OE1-ND2 2.73Å; E46-N122 PolarHBondContact OE1-OD1 2.63Å; E46-G124 CarbonylContact C-O 3.6Å; E46-G124 VanDerWaalsContact CA-O 3.32Å; E46-G124 WeakPolarHBondContact CA-O 3.15Å
47G89.3Confident89.5Confident0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-93.5129-176.200000113.1N122 L123 G124G47-N122 PolarHBondContact O-OD1 3.46Å; G47-L123 PolarHBondContact O-N 3.05Å; G47-G124 PolarHBondContact N-O 2.64Å
48I90.8Very high89.4Confident0 Ų042.6 Ų42.60%022%0.222CC..EExtended strand (participates in β ladder)trans-116.4123.9168.9-62176.9000108.7I5 K7 I50 I108 V120 V121 C925I5-I48 HydrophobicContact CG1-CB 4.19Å; I5-I48 WeakPolarHBondContact CG1-O 3.24Å; I5-I48 PolarHBondContact N-O 3.41Å; I5-I48 PolarHBondContact O-N 2.94Å; K7-I48 HydrophobicContact CB-CD1 4.03Å; K7-I48 HydrophobicContact CB-CG1 4.28Å; K7-I48 HydrophobicContact CD-CD1 3.93Å; K7-I48 HydrophobicContact CG-CD1 3.74Å; K7-I48 HydrophobicContact CG-CG1 4.46Å; I48-I50 HydrophobicContact CG2-CG1 4.13Å; I48-I108 HydrophobicContact CD1-CD1 3.81Å; I48-I108 HydrophobicContact CD1-CG1 4.39Å; I48-I108 HydrophobicContact CG2-CD1 3.9Å; I48-V120 HydrophobicContact CG2-CG1 3.88Å; I48-V121 WeakPolarHBondContact CA-O 3.11Å; I48-C925 HydrophobicContact CD1-CB 4.09Å
49F92.3Very high89.4Confident0 Ų039.8 Ų39.80%021%0.21CC..EExtended strand (participates in β ladder)trans-93.8130.4172.2-176.7-108000110.4L4 M35 Y37 Y51 F62 V120 V121 L123 I134 V136L4-F49 HydrophobicContact CB-CD2 4.23Å; L4-F49 HydrophobicContact CD1-CB 4.31Å; M35-F49 HydrophobicContact CE-CE2 4.37Å; M35-F49 HydrophobicContact CE-CZ 3.8Å; M35-F49 HydrophobicContact SD-CE2 4.27Å; M35-F49 HydrophobicContact SD-CZ 4.16Å; Y37-F49 HydrophobicContact CE2-CE2 4.17Å; F49-Y51 HydrophobicContact CE1-CD2 4.12Å; F49-Y51 HydrophobicContact CE1-CG 4.23Å; F49-Y51 AromaticContact CZ-CD2 3.84Å; F49-Y51 HydrophobicContact CZ-CD2 3.84Å; F49-Y51 HydrophobicContact CZ-CG 4.39Å; F49-F62 AromaticContact CD1-CE2 3.6Å; F49-F62 HydrophobicContact CD1-CE2 3.6Å; F49-F62 HydrophobicContact CD1-CZ 4.05Å; F49-F62 AromaticContact CE1-CE2 3.8Å; F49-F62 HydrophobicContact CE1-CE2 3.8Å; F49-V120 WeakPolarHBondContact O-CA 3.15Å; F49-V121 PolarHBondContact N-O 3.11Å; F49-V121 PolarHBondContact O-N 3.19Å; F49-L123 HydrophobicContact CB-CD1 4.17Å; F49-L123 HydrophobicContact CB-CG 4.29Å; F49-I134 HydrophobicContact CB-CD1 4.19Å; F49-I134 HydrophobicContact CD1-CG2 4.22Å; F49-I134 HydrophobicContact CD2-CD1 3.38Å; F49-I134 HydrophobicContact CD2-CG2 4.41Å; F49-I134 HydrophobicContact CE1-CG2 3.97Å; F49-I134 HydrophobicContact CE2-CD1 3.84Å; F49-I134 HydrophobicContact CE2-CG2 4.19Å; F49-I134 HydrophobicContact CG-CD1 3.82Å; F49-I134 HydrophobicContact CG-CG2 4.42Å; F49-I134 HydrophobicContact CZ-CG2 3.96Å; F49-V136 HydrophobicContact CE1-CG2 3.73Å; F49-V136 HydrophobicContact CZ-CG2 3.95Å
50I91.1Very high89.2Confident0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-119.3141.3176.1-60.9173.7000107.7P2 G3 I5 I48 I108 V118 L119 V120 L201 L204P2-I50 HydrophobicContact CB-CB 4.12Å; P2-I50 HydrophobicContact CB-CD1 4.12Å; P2-I50 HydrophobicContact CG-CB 4.22Å; P2-I50 HydrophobicContact CG-CD1 3.84Å; P2-I50 HydrophobicContact CG-CG2 4.16Å; P2-I50 CarbonylContact O-C 3.32Å; G3-I50 PolarHBondContact O-N 3.45Å; I5-I50 HydrophobicContact CD1-CD1 3.93Å; I48-I50 HydrophobicContact CG2-CG1 4.13Å; I50-I108 HydrophobicContact CD1-CD1 4.36Å; I50-V118 HydrophobicContact CG2-CG1 3.71Å; I50-L119 WeakPolarHBondContact CA-O 3.25Å; I50-V120 HydrophobicContact CG1-CG1 4.33Å; I50-V120 HydrophobicContact CG1-CG2 4.4Å; I50-L201 HydrophobicContact CD1-CD1 4.24Å; I50-L204 HydrophobicContact CD1-CD1 4.17Å
51Y91.3Very high89.3Confident4 Ų434.7 Ų34.72%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-146.7102.1-179.8-171.6-91.8000110.4M35 F49 L53 L119 V136 T138 V157M35-Y51 HydrophobicContact CE-CE2 4.38Å; F49-Y51 HydrophobicContact CE1-CD2 4.12Å; F49-Y51 HydrophobicContact CE1-CG 4.23Å; F49-Y51 AromaticContact CZ-CD2 3.84Å; F49-Y51 HydrophobicContact CZ-CD2 3.84Å; F49-Y51 HydrophobicContact CZ-CG 4.39Å; Y51-L53 HydrophobicContact CD1-CD2 3.87Å; Y51-L53 HydrophobicContact CD1-CG 4.41Å; Y51-L53 HydrophobicContact CE1-CD2 3.78Å; Y51-L119 PolarHBondContact N-O 3.04Å; Y51-L119 PolarHBondContact O-N 3.33Å; Y51-V136 HydrophobicContact CD1-CG1 4.16Å; Y51-V136 HydrophobicContact CD2-CG1 4.46Å; Y51-V136 HydrophobicContact CD2-CG2 4.33Å; Y51-V136 HydrophobicContact CE1-CG1 3.92Å; Y51-V136 HydrophobicContact CE2-CB 4.38Å; Y51-V136 HydrophobicContact CE2-CG1 4.22Å; Y51-V136 HydrophobicContact CE2-CG2 4.4Å; Y51-V136 HydrophobicContact CG-CG1 4.41Å; Y51-T138 HydrophobicContact CE1-CG2 3.92Å; Y51-V157 HydrophobicContact CD2-CB 4.44Å; Y51-V157 HydrophobicContact CD2-CG1 4.14Å
52P89.6Confident89.6Confident27 Ų2732.5 Ų32.518%0.17517%0.174CC..EExtended strand (participates in β ladder)trans-65.9142.6172.7-18.132.6000111.3M1 V157 L205M1-P52 HydrophobicContact CE-CB 4.34Å; M1-P52 HydrophobicContact CE-CG 4.08Å; P52-V157 HydrophobicContact CG-CG2 4.21Å; P52-L205 HydrophobicContact CB-CD2 4.44Å; P52-L205 HydrophobicContact CG-CD2 3.73Å
53L88.6Confident89.8Confident25 Ų2526 Ų2613%0.13114%0.139CC..  trans-113.3142.7178.6-63.2163.4000109Y51 V59 T117 T138Y51-L53 HydrophobicContact CD1-CD2 3.87Å; Y51-L53 HydrophobicContact CD1-CG 4.41Å; Y51-L53 HydrophobicContact CE1-CD2 3.78Å; L53-V59 HydrophobicContact CD1-CG2 3.95Å; L53-V59 HydrophobicContact CD2-CG2 3.84Å; L53-V59 HydrophobicContact CG-CG2 4.45Å; L53-T117 PolarHBondContact N-O 3.45Å; L53-T138 HydrophobicContact CD2-CG2 3.78Å
54E84.4Confident90Very high87 Ų8721.4 Ų21.441%0.40712%0.118SC..  trans-69.6156.3167.9-60.2-174.1174.300110.1N56 S57 S153E54-N56 PolarHBondContact O-N 2.88Å; E54-S57 WeakPolarHBondContact O-CB 3.29Å; E54-S57 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-OG 3.48Å; E54-S57 VanDerWaalsContact O-OG 3.05Å; E54-S153 PolarHBondContact OE1-OG 3.18Å
55E81.9Confident90.1Very high67 Ų6720.6 Ų20.631%0.31311%0.106SC..THydrogen-bonded Turntrans-56.8141.5174.3-132.371.8-15000110.4S57 R473 V501E55-S57 PolarHBondContact O-N 3.06Å; E55-R473 IonicContact OE1-CZ 2.89Å; E55-R473 IonicContact OE1-NE 3.78Å; E55-R473 PolarHBondContact OE1-NE 2.77Å; E55-R473 IonicContact OE1-NH2 2.77Å; E55-R473 PolarHBondContact OE1-NH2 2.84Å; E55-V501 WeakPolarHBondContact OE1-CG2 3.3Å
56N85.3Confident90.1Very high84 Ų8420.4 Ų20.445%0.44911%0.105SC..THydrogen-bonded Turntrans60.619.7-170.7-59.313.1000115.4E54 S140 E141E54-N56 PolarHBondContact O-N 2.88Å; N56-S140 WeakPolarHBondContact O-CA 3.19Å; N56-E141 HydrophobicContact CB-CB 4.01Å; N56-E141 HydrophobicContact CB-CG 4.28Å; N56-E141 PolarHBondContact ND2-OE2 3.38Å; N56-E141 PolarHBondContact O-N 2.9Å
57S91Very high89.9Confident18 Ų1821.7 Ų21.713%0.12612%0.119CC..EExtended strand (participates in β ladder)trans-96.5148.3166.8-53.60000112.5E54 E55 S139 S140E54-S57 WeakPolarHBondContact O-CB 3.29Å; E54-S57 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-OG 3.48Å; E54-S57 VanDerWaalsContact O-OG 3.05Å; E55-S57 PolarHBondContact O-N 3.06Å; S57-S139 WeakPolarHBondContact CA-O 3.36Å; S57-S140 WeakPolarHBondContact OG-CB 3.41Å
58I92.3Very high89.6Confident17 Ų1726.5 Ų26.59%0.08715%0.153CC..EExtended strand (participates in β ladder)trans-132.8145.2177.251.8171.2000111.4V60 T138 S139 H863 L864 I904I58-V60 HydrophobicContact CD1-CG2 4.17Å; I58-V60 HydrophobicContact CG1-CG2 4.13Å; I58-T138 CarbonylContact O-C 3.54Å; I58-T138 WeakPolarHBondContact O-CA 3.22Å; I58-T138 WeakPolarHBondContact O-CB 3.47Å; I58-S139 VanDerWaalsContact CG1-O 3.26Å; I58-S139 WeakPolarHBondContact CG1-O 3.31Å; I58-S139 PolarHBondContact N-O 3.37Å; I58-S139 PolarHBondContact O-N 3.42Å; I58-H863 HydrophobicContact CD1-CB 3.77Å; I58-H863 WeakPolarHBondContact CD1-O 3.25Å; I58-L864 HydrophobicContact CD1-CD2 3.97Å; I58-L864 HydrophobicContact CG1-CD2 4.06Å; I58-I904 HydrophobicContact CB-CG2 4.39Å; I58-I904 HydrophobicContact CD1-CD1 4.31Å; I58-I904 HydrophobicContact CD1-CG1 4.29Å; I58-I904 HydrophobicContact CD1-CG2 4.47Å; I58-I904 HydrophobicContact CG2-CG2 3.94Å
59V92Very high89.4Confident7 Ų729.2 Ų29.24%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-82127.4170.5177.80000109.2L53 L119 T138 F911L53-V59 HydrophobicContact CD1-CG2 3.95Å; L53-V59 HydrophobicContact CD2-CG2 3.84Å; L53-V59 HydrophobicContact CG-CG2 4.45Å; V59-L119 HydrophobicContact CG1-CD2 4.3Å; V59-L119 HydrophobicContact CG2-CB 4.24Å; V59-L119 HydrophobicContact CG2-CD2 4.14Å; V59-T138 HydrophobicContact CG2-CG2 4.34Å; V59-F911 HydrophobicContact CB-CE2 4.2Å; V59-F911 HydrophobicContact CB-CZ 4.19Å; V59-F911 HydrophobicContact CG1-CZ 4.36Å
60V88.6Confident89.4Confident4 Ų429.8 Ų29.82%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-118.7-19.6-175.4176.30000111.9I58 S137 L686 H863I58-V60 HydrophobicContact CD1-CG2 4.17Å; I58-V60 HydrophobicContact CG1-CG2 4.13Å; V60-S137 PolarHBondContact N-O 2.89Å; V60-L686 WeakPolarHBondContact O-CD2 3.27Å; V60-H863 HydrophobicContact CG2-CB 4.01Å
61G88.9Confident89.4Confident2 Ų229.8 Ų29.82%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-153.5146.3173.200000111.8S137 L686G61-S137 PolarHBondContact N-O 3.39Å; G61-S137 VanDerWaalsContact N-O 3.09Å; G61-S137 PolarHBondContact O-N 2.67Å; G61-L686 WeakPolarHBondContact CA-O 3.41Å
62F93.1Very high89.4Confident0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-150.4120.7173.3-173.8-88.4000109.9F49 A64 T72 L73 L119 V121 L123 I134 L135 V136F49-F62 AromaticContact CD1-CE2 3.6Å; F49-F62 HydrophobicContact CD1-CE2 3.6Å; F49-F62 HydrophobicContact CD1-CZ 4.05Å; F49-F62 AromaticContact CE1-CE2 3.8Å; F49-F62 HydrophobicContact CE1-CE2 3.8Å; F62-A64 HydrophobicContact CE1-CB 3.76Å; F62-A64 HydrophobicContact CZ-CB 3.88Å; F62-T72 WeakPolarHBondContact O-CB 3.35Å; F62-T72 PolarHBondContact O-OG1 2.96Å; F62-L73 HydrophobicContact CB-CD1 3.67Å; F62-L73 HydrophobicContact CB-CG 3.93Å; F62-L73 HydrophobicContact CD1-CD1 4.13Å; F62-L73 HydrophobicContact CD1-CD2 4.21Å; F62-L73 HydrophobicContact CD1-CG 3.81Å; F62-L73 HydrophobicContact CG-CD1 3.86Å; F62-L73 HydrophobicContact CG-CG 4.03Å; F62-L119 HydrophobicContact CD2-CD2 3.82Å; F62-L119 HydrophobicContact CE2-CD2 4.26Å; F62-V121 HydrophobicContact CD2-CG2 4.47Å; F62-V121 HydrophobicContact CE1-CB 4.36Å; F62-V121 HydrophobicContact CE1-CG1 3.88Å; F62-V121 HydrophobicContact CE1-CG2 4.15Å; F62-V121 HydrophobicContact CE2-CG2 4.08Å; F62-V121 HydrophobicContact CZ-CB 4.15Å; F62-V121 HydrophobicContact CZ-CG1 4.14Å; F62-V121 HydrophobicContact CZ-CG2 3.9Å; F62-L123 HydrophobicContact CE1-CD2 4.26Å; F62-L123 HydrophobicContact CZ-CD2 4.16Å; F62-I134 HydrophobicContact CE2-CG2 3.71Å; F62-I134 HydrophobicContact CZ-CG2 3.93Å; F62-L135 WeakPolarHBondContact CA-O 3.24Å; F62-V136 HydrophobicContact CD2-CG2 4.08Å; F62-V136 HydrophobicContact CE2-CG2 4.12Å
63E93Very high89.5Confident6 Ų628.5 Ų28.53%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-133134169.8-67.3174.9-128.800107.7I71 L135 R687 R688 S689E63-I71 CarbonylContact C-O 3.55Å; E63-I71 WeakPolarHBondContact CA-O 3.4Å; E63-L135 HydrophobicContact CB-CB 4.38Å; E63-L135 PolarHBondContact N-O 3.35Å; E63-L135 PolarHBondContact O-N 3.38Å; E63-R687 WeakPolarHBondContact OE1-CA 3.26Å; E63-R687 WeakPolarHBondContact OE1-CG 3.4Å; E63-R688 PolarHBondContact OE1-N 3.18Å; E63-S689 PolarHBondContact OE1-N 3.34Å; E63-S689 PolarHBondContact OE1-OG 2.97Å; E63-S689 VanDerWaalsContact OE1-OG 3.05Å; E63-S689 WeakPolarHBondContact OE2-CB 3.47Å; E63-S689 PolarHBondContact OE2-OG 3.25Å
64A94.4Very high89.4Confident0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-131.3137.4171.500000109.3F62 I71 L123 H133 I134F62-A64 HydrophobicContact CE1-CB 3.76Å; F62-A64 HydrophobicContact CZ-CB 3.88Å; A64-I71 HydrophobicContact CB-CB 4.47Å; A64-I71 PolarHBondContact N-O 3.03Å; A64-I71 PolarHBondContact O-N 3.45Å; A64-L123 HydrophobicContact CB-CD1 4.32Å; A64-L123 HydrophobicContact CB-CD2 3.71Å; A64-H133 CarbonylContact C-O 3.56Å; A64-H133 WeakPolarHBondContact CA-O 3.36Å; A64-I134 HydrophobicContact CB-CG1 4.22Å; A64-I134 HydrophobicContact CB-CG2 4.49Å
65M93.1Very high89.6Confident30 Ų3026.7 Ų26.715%0.14815%0.151CC..EExtended strand (participates in β ladder)trans-116.8134.5179.5-59.7-163.4-60.700111.2Q69 I70 V132 H133 L694M65-Q69 WeakPolarHBondContact CA-O 3.21Å; M65-I70 HydrophobicContact CG-CG1 4.3Å; M65-I70 HydrophobicContact SD-CG1 4.5Å; M65-V132 WeakPolarHBondContact O-CA 3.5Å; M65-H133 HydrophobicContact CB-CB 4.45Å; M65-H133 HydrophobicContact CE-CB 3.95Å; M65-H133 PolarHBondContact N-O 3.21Å; M65-H133 PolarHBondContact O-N 3.42Å; M65-H133 VanDerWaalsContact O-N 3.17Å; M65-L694 HydrophobicContact CE-CB 3.85Å; M65-L694 HydrophobicContact CE-CD1 4.47Å; M65-L694 HydrophobicContact CE-CD2 3.95Å; M65-L694 HydrophobicContact CE-CG 4.31Å; M65-L694 HydrophobicContact SD-CB 3.67Å; M65-L694 HydrophobicContact SD-CD1 3.76Å; M65-L694 HydrophobicContact SD-CD2 4.33Å; M65-L694 HydrophobicContact SD-CG 4.13Å
66I91.5Very high89.8Confident6 Ų625.5 Ų25.53%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-132.2116.6170.8-60.8169.4000106.7S68 Q69 I71 L123 I126 P127 V132I66-S68 PolarHBondContact O-N 3.05Å; I66-Q69 PolarHBondContact N-O 3.49Å; I66-Q69 PolarHBondContact O-N 3.07Å; I66-I71 HydrophobicContact CD1-CD1 4.32Å; I66-L123 HydrophobicContact CD1-CB 3.88Å; I66-L123 WeakPolarHBondContact CD1-O 3.49Å; I66-I126 HydrophobicContact CD1-CG1 3.69Å; I66-I126 HydrophobicContact CG1-CG1 4.35Å; I66-I126 HydrophobicContact CG2-CG2 4.5Å; I66-P127 HydrophobicContact CG2-CG 4.49Å; I66-V132 HydrophobicContact CG1-CG1 3.93Å; I66-V132 HydrophobicContact CG1-CG2 4.13Å
67S85.3Confident89.8Confident72 Ų7221.8 Ų21.850%0.50313%0.127SC..THydrogen-bonded Turntrans51.4-104-171.2-50.30000112.5E130S67-E130 WeakPolarHBondContact CA-OE1 3.43Å; S67-E130 WeakPolarHBondContact CB-OE1 3.44Å; S67-E130 PolarHBondContact N-OE1 3.3Å; S67-E130 PolarHBondContact OG-OE1 3.3Å
68S82.3Confident89.5Confident101 Ų10123 Ų2371%0.70613%0.13SC*.THydrogen-bonded Turntrans-106.9-7.6175.765.40000114I66I66-S68 PolarHBondContact O-N 3.05Å
69Q88.3Confident88.7Confident57 Ų5725.8 Ų25.827%0.26616%0.155SC..EExtended strand (participates in β ladder)trans-83.9127.8-175.9-170.3177.24400110.4M65 I66 I71 D915M65-Q69 WeakPolarHBondContact CA-O 3.21Å; I66-Q69 PolarHBondContact N-O 3.49Å; I66-Q69 PolarHBondContact O-N 3.07Å; Q69-I71 HydrophobicContact CG-CG1 4.31Å; Q69-D915 HydrophobicContact CG-CB 4.41Å; Q69-D915 VanDerWaalsContact NE2-CG 3.3Å; Q69-D915 PolarHBondContact NE2-OD2 3.48Å
70I90.9Very high87.6Confident11 Ų1132.5 Ų32.56%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-106.8113.2176.2-55.3178.9000109.2M65 V691 L916M65-I70 HydrophobicContact CG-CG1 4.3Å; M65-I70 HydrophobicContact SD-CG1 4.5Å; I70-V691 HydrophobicContact CD1-CG2 4.43Å; I70-L916 HydrophobicContact CB-CB 4.24Å; I70-L916 HydrophobicContact CB-CD2 4.44Å; I70-L916 HydrophobicContact CG2-CB 4.4Å; I70-L916 HydrophobicContact CG2-CD2 4.05Å; I70-L916 VanDerWaalsContact O-CB 3.28Å; I70-L916 WeakPolarHBondContact O-CB 3.35Å; I70-L916 PolarHBondContact O-N 3.14Å
71I91.6Very high86.5Confident0 Ų033.3 Ų33.30%019%0.188CC..EExtended strand (participates in β ladder)trans-98.2133.7177.5-58.9172.6000109.1E63 A64 I66 Q69 L123 P913 I914 L922E63-I71 CarbonylContact C-O 3.55Å; E63-I71 WeakPolarHBondContact CA-O 3.4Å; A64-I71 HydrophobicContact CB-CB 4.47Å; A64-I71 PolarHBondContact N-O 3.03Å; A64-I71 PolarHBondContact O-N 3.45Å; I66-I71 HydrophobicContact CD1-CD1 4.32Å; Q69-I71 HydrophobicContact CG-CG1 4.31Å; I71-L123 HydrophobicContact CD1-CB 4.21Å; I71-L123 HydrophobicContact CD1-CD2 4.46Å; I71-L123 WeakPolarHBondContact CD1-O 3.16Å; I71-L123 HydrophobicContact CG2-CD2 4.44Å; I71-P913 HydrophobicContact CG2-CB 4.2Å; I71-I914 WeakPolarHBondContact CA-O 3.39Å; I71-L922 HydrophobicContact CD1-CD1 3.67Å; I71-L922 HydrophobicContact CG1-CD1 3.93Å; I71-L922 HydrophobicContact CG2-CD1 3.95Å
72T91.8Very high85Confident3 Ų337.8 Ų37.82%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-141.4172.8175.9-171.80000110F62 N684 P913 I914 L916F62-T72 WeakPolarHBondContact O-CB 3.35Å; F62-T72 PolarHBondContact O-OG1 2.96Å; T72-N684 WeakPolarHBondContact CG2-ND2 3.32Å; T72-N684 PolarHBondContact OG1-ND2 3.17Å; T72-P913 CarbonylContact O-C 3.53Å; T72-P913 WeakPolarHBondContact O-CA 3.24Å; T72-I914 PolarHBondContact N-O 2.99Å; T72-I914 PolarHBondContact O-N 2.75Å; T72-L916 HydrophobicContact CG2-CD1 4.32Å
73L90.3Very high83Confident2 Ų242.5 Ų42.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-105.7159.4-179.3-46.6169.4000111.7F62 L119 V121 N684 L686 F911 V912 P913F62-L73 HydrophobicContact CB-CD1 3.67Å; F62-L73 HydrophobicContact CB-CG 3.93Å; F62-L73 HydrophobicContact CD1-CD1 4.13Å; F62-L73 HydrophobicContact CD1-CD2 4.21Å; F62-L73 HydrophobicContact CD1-CG 3.81Å; F62-L73 HydrophobicContact CG-CD1 3.86Å; F62-L73 HydrophobicContact CG-CG 4.03Å; L73-L119 HydrophobicContact CD1-CD1 3.72Å; L73-L119 HydrophobicContact CD1-CD2 4.34Å; L73-V121 HydrophobicContact CD1-CG2 4.24Å; L73-V121 HydrophobicContact CD2-CB 4.48Å; L73-V121 HydrophobicContact CD2-CG1 3.71Å; L73-V121 HydrophobicContact CD2-CG2 3.95Å; L73-N684 PolarHBondContact O-ND2 3.47Å; L73-L686 HydrophobicContact CB-CD1 3.51Å; L73-L686 HydrophobicContact CG-CD1 4.32Å; L73-L686 VanDerWaalsContact O-CD1 3.32Å; L73-L686 WeakPolarHBondContact O-CD1 3.49Å; L73-F911 HydrophobicContact CB-CB 4.18Å; L73-F911 HydrophobicContact CB-CD1 3.83Å; L73-F911 HydrophobicContact CB-CG 4.29Å; L73-F911 HydrophobicContact CD1-CB 4.05Å; L73-F911 HydrophobicContact CD1-CD1 4.03Å; L73-F911 HydrophobicContact CD1-CD2 4.4Å; L73-F911 HydrophobicContact CD1-CG 3.92Å; L73-F911 HydrophobicContact CG-CB 4.48Å; L73-V912 WeakPolarHBondContact CA-O 3.32Å; L73-P913 HydrophobicContact CD2-CB 4.14Å
74Q88.3Confident80.8Confident65 Ų6545.3 Ų45.330%0.30426%0.256SS..EExtended strand (participates in β ladder)trans-140.5140.2168.4-176.6-173.793.400110.7K76 V912 I914 Y921Q74-K76 PolarHBondContact O-N 2.85Å; Q74-V912 PolarHBondContact N-O 2.98Å; Q74-V912 PolarHBondContact O-N 3.09Å; Q74-I914 HydrophobicContact CB-CD1 3.47Å; Q74-I914 VanDerWaalsContact CB-CD1 3.47Å; Q74-I914 HydrophobicContact CB-CG1 4.29Å; Q74-I914 HydrophobicContact CG-CD1 4.22Å; Q74-Y921 PolarHBondContact OE1-OH 3.2Å
75I88.3Confident78.8Confident8 Ų849.8 Ų49.84%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-81.1117.2177.2-67-166.8000112.5K900 N903 I904 T909 A910 F911I75-K900 HydrophobicContact CG2-CG 4.04Å; I75-K900 WeakPolarHBondContact O-CE 3.04Å; I75-N903 WeakPolarHBondContact CD1-O 3.22Å; I75-N903 WeakPolarHBondContact CG1-OD1 3.32Å; I75-I904 VanDerWaalsContact CD1-O 3.27Å; I75-I904 WeakPolarHBondContact CD1-O 3.24Å; I75-T909 HydrophobicContact CG2-CG2 4.01Å; I75-A910 WeakPolarHBondContact CA-O 3.45Å; I75-F911 HydrophobicContact CD1-CD1 4.19Å; I75-F911 HydrophobicContact CD1-CE1 3.65Å; I75-F911 HydrophobicContact CD1-CZ 4.12Å; I75-F911 HydrophobicContact CG1-CD1 3.57Å; I75-F911 HydrophobicContact CG1-CE1 3.51Å; I75-F911 HydrophobicContact CG1-CZ 4.4Å
76K86.3Confident76Confident43 Ų4353.8 Ų53.819%0.18729%0.292CS..EExtended strand (participates in β ladder)trans-110.9159.7168.9-74.9-179.9172.4175.80110.7Q74 L81 T909 A910 V912 Y921Q74-K76 PolarHBondContact O-N 2.85Å; K76-L81 HydrophobicContact CB-CD1 4.47Å; K76-L81 HydrophobicContact CB-CD2 3.86Å; K76-L81 HydrophobicContact CB-CG 4.26Å; K76-L81 HydrophobicContact CD-CD2 3.62Å; K76-L81 HydrophobicContact CG-CD2 4.39Å; K76-T909 CarbonylContact O-C 3.56Å; K76-T909 WeakPolarHBondContact O-CA 3.43Å; K76-T909 WeakPolarHBondContact O-CB 3.39Å; K76-A910 PolarHBondContact N-O 2.83Å; K76-A910 PolarHBondContact O-N 2.85Å; K76-V912 HydrophobicContact CB-CG2 4.17Å; K76-V912 HydrophobicContact CD-CG2 4.09Å; K76-V912 HydrophobicContact CG-CG2 4.4Å; K76-Y921 HydrophobicContact CD-CE1 4.32Å; K76-Y921 VanDerWaalsContact NZ-CD1 3.26Å
77G84.9Confident73.3Confident6 Ų658.8 Ų58.86%0.06232%0.318CS..EExtended strand (participates in β ladder)trans-86.7132.3173.800000109.7A79 K80 Y908G77-A79 VanDerWaalsContact C-N 3.29Å; G77-A79 PolarHBondContact O-N 2.82Å; G77-K80 PolarHBondContact O-N 3.27Å; G77-Y908 WeakPolarHBondContact CA-O 3.31Å
78K83.8Confident71Confident44 Ų4460.3 Ų60.319%0.19132%0.32CS..Hα-helixtrans-53.2-45.6-172.3-66.9-176.5-175.41750112.2K80 L81 D82 E115 K907 Y908 T909 A910K78-K80 PolarHBondContact O-N 3.25Å; K78-L81 WeakPolarHBondContact O-CA 3.48Å; K78-L81 WeakPolarHBondContact O-CB 3.37Å; K78-L81 PolarHBondContact O-N 2.96Å; K78-D82 PolarHBondContact O-N 2.93Å; K78-E115 IonicContact NZ-OE1 3.72Å; K78-E115 PolarHBondContact NZ-OE1 3.14Å; K78-E115 IonicContact NZ-OE2 2.67Å; K78-E115 PolarHBondContact NZ-OE2 3.21Å; K78-K907 WeakPolarHBondContact CE-O 3.37Å; K78-K907 PolarHBondContact NZ-O 3.17Å; K78-Y908 PolarHBondContact N-O 3.49Å; K78-T909 WeakPolarHBondContact CE-O 3.31Å; K78-A910 HydrophobicContact CG-CB 4.19Å
79A75.9Confident68.6Low74 Ų7459.8 Ų59.861%0.61232%0.315SS*.Hα-helixtrans-61.5-10.4177.300000115.8G77G77-A79 VanDerWaalsContact C-N 3.29Å; G77-A79 PolarHBondContact O-N 2.82Å
80K68.5Low65.9Low148 Ų14863.7 Ų63.764%0.64333%0.333SS*.Hα-helixtrans-100.2-12170.8-64.4-164.1175.2-162.20113.3G77 K78 C84G77-K80 PolarHBondContact O-N 3.27Å; K78-K80 PolarHBondContact O-N 3.25Å; K80-C84 PolarHBondContact O-SG 3.47Å
81L65.3Low62.9Low22 Ų2269 Ų6912%0.11537%0.366CS..Hα-helixtrans-79.8-40172.2-60.8177.5000110K76 K78 D83 C84 Y85 A910 V912K76-L81 HydrophobicContact CB-CD1 4.47Å; K76-L81 HydrophobicContact CB-CD2 3.86Å; K76-L81 HydrophobicContact CB-CG 4.26Å; K76-L81 HydrophobicContact CD-CD2 3.62Å; K76-L81 HydrophobicContact CG-CD2 4.39Å; K78-L81 WeakPolarHBondContact O-CA 3.48Å; K78-L81 WeakPolarHBondContact O-CB 3.37Å; K78-L81 PolarHBondContact O-N 2.96Å; L81-D83 PolarHBondContact O-N 2.96Å; L81-C84 PolarHBondContact O-N 3.24Å; L81-Y85 HydrophobicContact CB-CD2 4.25Å; L81-Y85 HydrophobicContact CB-CE2 4.34Å; L81-Y85 WeakPolarHBondContact O-CD2 3.24Å; L81-Y85 PolarHBondContact O-N 2.91Å; L81-A910 HydrophobicContact CD1-CB 3.97Å; L81-V912 HydrophobicContact CD1-CG2 3.98Å; L81-V912 HydrophobicContact CD2-CG2 3.94Å
82D58Low60.1Low95 Ų9572.7 Ų72.751%0.50840%0.397SS..Hα-helixtrans-54.2-38.7176-60.8-29.5000112.6K78 Q86K78-D82 PolarHBondContact O-N 2.93Å; D82-Q86 WeakPolarHBondContact O-CG 3.38Å; D82-Q86 PolarHBondContact O-N 2.89Å; D82-Q86 PolarHBondContact O-NE2 2.7Å
83D50.4Low57.3Low100 Ų10077.9 Ų77.954%0.53543%0.425SS..Hα-helixtrans-65.4-49.2173.6-69.3-27.2000111.4L81 Y85 Q86 D87L81-D83 PolarHBondContact O-N 2.96Å; D83-Y85 PolarHBondContact O-N 3.35Å; D83-Q86 PolarHBondContact O-N 2.96Å; D83-D87 PolarHBondContact O-N 3.21Å
84C48.2Very low54.4Low64 Ų6482.2 Ų82.243%0.43247%0.47SS..Hα-helixtrans-67.5-35.9-178.3-67.40000113.5K80 L81 Q86 D87 I88K80-C84 PolarHBondContact O-SG 3.47Å; L81-C84 PolarHBondContact O-N 3.24Å; C84-Q86 VanDerWaalsContact C-N 3.28Å; C84-Q86 PolarHBondContact O-N 3.05Å; C84-D87 PolarHBondContact O-N 3.44Å; C84-I88 WeakPolarHBondContact O-CG1 3.38Å; C84-I88 PolarHBondContact O-N 3.09Å
85Y51.6Low51.4Low95 Ų9582.1 Ų82.137%0.37349%0.486SS..Hα-helixtrans-64.9-33175.9-87.3-69.8000112.1L81 D83 C89 T924L81-Y85 HydrophobicContact CB-CD2 4.25Å; L81-Y85 HydrophobicContact CB-CE2 4.34Å; L81-Y85 WeakPolarHBondContact O-CD2 3.24Å; L81-Y85 PolarHBondContact O-N 2.91Å; D83-Y85 PolarHBondContact O-N 3.35Å; Y85-C89 PolarHBondContact O-N 3.26Å; Y85-C89 PolarHBondContact O-SG 3.18Å; Y85-T924 WeakPolarHBondContact OH-CB 3.12Å; Y85-T924 PolarHBondContact OH-N 2.78Å; Y85-T924 PolarHBondContact OH-OG1 2.99Å
86Q35.6Very low48.6Very low113 Ų11388.9 Ų88.953%0.52852%0.521SS..Hα-helixtrans-67.7-42.3172.3-73.7168.983.500112D82 D83 C84 C89 H90D82-Q86 WeakPolarHBondContact O-CG 3.38Å; D82-Q86 PolarHBondContact O-N 2.89Å; D82-Q86 PolarHBondContact O-NE2 2.7Å; D83-Q86 PolarHBondContact O-N 2.96Å; C84-Q86 VanDerWaalsContact C-N 3.28Å; C84-Q86 PolarHBondContact O-N 3.05Å; Q86-C89 WeakPolarHBondContact O-CB 3.35Å; Q86-C89 PolarHBondContact O-N 3.12Å; Q86-H90 PolarHBondContact O-CD2 3.25Å; Q86-H90 PolarHBondContact O-N 3.23Å
87D33.1Very low45.8Very low111 Ų11195.3 Ų95.359%0.59455%0.552SS**Hα-helixtrans-65-39.2177.6-87.6-22.2000113D83 C84 C89 H90 T91D83-D87 PolarHBondContact O-N 3.21Å; C84-D87 PolarHBondContact O-N 3.44Å; D87-C89 VanDerWaalsContact C-N 3.29Å; D87-C89 PolarHBondContact O-N 2.96Å; D87-H90 WeakPolarHBondContact O-CA 3.49Å; D87-H90 PolarHBondContact O-N 3.29Å; D87-T91 PolarHBondContact O-N 2.82Å; D87-T91 PolarHBondContact O-OG1 2.94Å
88I37.4Very low43.2Very low105 Ų105101.4 Ų101.454%0.53859%0.593SS.*Hα-helixtrans-61.7-39175-66.1167.5000110.7C84 H90 T91 A92C84-I88 WeakPolarHBondContact O-CG1 3.38Å; C84-I88 PolarHBondContact O-N 3.09Å; I88-H90 PolarHBondContact O-N 3.13Å; I88-T91 PolarHBondContact O-OG1 3.38Å; I88-A92 PolarHBondContact O-N 3.43Å
89C32.2Very low40.4Very low89 Ų89102.6 Ų102.660%0.60162%0.618SS**Hα-helixtrans-69.3-6.8173.7-64.30000114Y85 Q86 D87Y85-C89 PolarHBondContact O-N 3.26Å; Y85-C89 PolarHBondContact O-SG 3.18Å; Q86-C89 WeakPolarHBondContact O-CB 3.35Å; Q86-C89 PolarHBondContact O-N 3.12Å; D87-C89 VanDerWaalsContact C-N 3.29Å; D87-C89 PolarHBondContact O-N 2.96Å
90H30.8Very low38.1Very low140 Ų140104.7 Ų104.765%0.64862%0.624SS**Hα-helixtrans-111.4-25.2-178.9-72.2-23.4000114.1Q86 D87 I88Q86-H90 PolarHBondContact O-CD2 3.25Å; Q86-H90 PolarHBondContact O-N 3.23Å; D87-H90 WeakPolarHBondContact O-CA 3.49Å; D87-H90 PolarHBondContact O-N 3.29Å; I88-H90 PolarHBondContact O-N 3.13Å
91T29.5Very low36.2Very low121 Ų121103.1 Ų103.174%0.74264%0.639SS**Hα-helixtrans-77.2-32.517147.20000112.5D87 I88 N93D87-T91 PolarHBondContact O-N 2.82Å; D87-T91 PolarHBondContact O-OG1 2.94Å; I88-T91 PolarHBondContact O-OG1 3.38Å; T91-N93 PolarHBondContact O-N 2.95Å
92A33Very low34.4Very low79 Ų79107.9 Ų107.965%0.65367%0.669SS**SBendtrans-77.949.2177.900000114I88I88-A92 PolarHBondContact O-N 3.43Å
93N32.1Very low32.9Very low112 Ų112106.7 Ų106.760%0.59968%0.678SS**  trans-148.377.9175.1-129.4-58.1000116.1T91T91-N93 PolarHBondContact O-N 2.95Å
94G28.4Very low32Very low93 Ų93105.5 Ų105.596%0.95968%0.683SS**SBendtrans-100.823.116500000114.2
95G25.8Very low31.4Very low62 Ų62106.9 Ų106.964%0.63969%0.689SS**SBendtrans-163.151.5-160.100000118.8
96L29.9Very low31.2Very low151 Ų151103.6 Ų103.679%0.79168%0.684SS**  trans42.886.7148.3-164.195.5000119
97Q27.1Very low32.5Very low178 Ų178100.4 Ų100.483%0.83267%0.671SS**  -173.8156.7114.8-104.9171.290.800113.3
98S31.8Very low34.2Very low133 Ų13395.1 Ų95.193%0.9364%0.643SS**  trans-89.8106.8174.6-172.20000109.7
99G23.1Very low35.8Very low69 Ų6991.6 Ų91.671%0.71163%0.625SS**  trans-134.7161.7174.100000110.7
100T27.5Very low37.9Very low118 Ų11887.7 Ų87.772%0.72460%0.598SS**  trans-62.1150171.739.30000111.3T102T100-T102 VanDerWaalsContact C-N 3.28Å; T100-T102 PolarHBondContact O-N 3.22Å; T100-T102 PolarHBondContact O-OG1 2.93Å
101A29.3Very low40.1Very low116 Ų11682.2 Ų82.296%0.95957%0.574SS**SBendtrans-69.683.2174.800000111.1
102T28.4Very low42.4Very low122 Ų12278.8 Ų78.875%0.74855%0.549SS*.  trans-129.582.9175.749.90000107.7T100T100-T102 VanDerWaalsContact C-N 3.28Å; T100-T102 PolarHBondContact O-N 3.22Å; T100-T102 PolarHBondContact O-OG1 2.93Å
103G24.9Very low44.5Very low69 Ų6975.3 Ų75.371%0.71152%0.52SS*.  trans-176.22.2-173.400000116.5T105G103-T105 PolarHBondContact O-N 3.38Å
104A33.2Very low46.9Very low75 Ų7571.1 Ų71.162%0.6250%0.496SS*.  trans-9862.817200000110.4G106A104-G106 PolarHBondContact O-N 3.36Å
105T34.7Very low49.3Very low94 Ų9468.6 Ų68.658%0.57746%0.459SS*.THydrogen-bonded Turntrans-77103.7176.945.40000110G103G103-T105 PolarHBondContact O-N 3.38Å
106G46.9Very low51.6Low26 Ų2667.8 Ų67.827%0.26844%0.437SS..THydrogen-bonded Turntrans143.94.3173.600000117.3K7 A104K7-G106 WeakPolarHBondContact CE-O 3.29Å; A104-G106 PolarHBondContact O-N 3.36Å
107N62.4Low54.2Low46 Ų4661.4 Ų61.425%0.24640%0.404CS..PPolyproline II helixtrans-77.2137.1176.9-68.2-9.2000111.5C925 E927N107-C925 WeakPolarHBondContact CA-O 3.41Å; N107-E927 HydrophobicContact CB-CG 4.18Å; N107-E927 PolarHBondContact ND2-OE1 2.77Å
108I69.6Low57.1Low0 Ų053.7 Ų53.70%037%0.369CS..EExtended strand (participates in β ladder)trans-84.1125.5172.6-62.2179.7000108.4I48 I50 V110 V120 L199 L201 C925 V926 E927I48-I108 HydrophobicContact CD1-CD1 3.81Å; I48-I108 HydrophobicContact CD1-CG1 4.39Å; I48-I108 HydrophobicContact CG2-CD1 3.9Å; I50-I108 HydrophobicContact CD1-CD1 4.36Å; I108-V110 HydrophobicContact CG2-CG2 4.2Å; I108-V120 HydrophobicContact CD1-CG1 4.2Å; I108-L199 HydrophobicContact CG1-CB 4.23Å; I108-L199 HydrophobicContact CG1-CD1 4.29Å; I108-L201 HydrophobicContact CG2-CB 4.02Å; I108-L201 HydrophobicContact CG2-CD1 3.74Å; I108-C925 PolarHBondContact N-O 2.85Å; I108-V926 WeakPolarHBondContact O-CA 3.42Å; I108-E927 PolarHBondContact O-N 3.29Å
109L71.1Confident59.8Low30 Ų3047.8 Ų47.816%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-89.6119.4179.1-161.367.3000109.6L199 W200 L201 E927 I929L109-L199 WeakPolarHBondContact CB-O 3.35Å; L109-L199 PolarHBondContact N-O 3.19Å; L109-W200 HydrophobicContact CD2-CD2 4.18Å; L109-W200 HydrophobicContact CD2-CE3 4.1Å; L109-W200 HydrophobicContact CD2-CH2 3.61Å; L109-W200 HydrophobicContact CD2-CZ2 3.67Å; L109-W200 HydrophobicContact CD2-CZ3 3.83Å; L109-L201 PolarHBondContact O-N 3.35Å; L109-E927 WeakPolarHBondContact CA-O 3.48Å; L109-E927 HydrophobicContact CD1-CB 4.08Å; L109-I929 HydrophobicContact CD1-CD1 4.35Å; L109-I929 HydrophobicContact CD1-CG1 3.83Å; L109-I929 HydrophobicContact CD2-CD1 3.65Å; L109-I929 HydrophobicContact CD2-CG1 4.08Å; L109-I929 HydrophobicContact CG-CD1 3.75Å; L109-I929 HydrophobicContact CG-CG1 3.69Å
110V75.9Confident63Low8 Ų845.7 Ų45.75%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-111.7125.1-176.1179.60000109.8I108 F114 E115 L201 V926 E927 C928 I929I108-V110 HydrophobicContact CG2-CG2 4.2Å; V110-F114 HydrophobicContact CG1-CB 3.99Å; V110-E115 HydrophobicContact CG1-CG 4.3Å; V110-L201 HydrophobicContact CG1-CD2 4.34Å; V110-L201 HydrophobicContact CG2-CB 4.43Å; V110-L201 HydrophobicContact CG2-CD2 4.18Å; V110-V926 HydrophobicContact CB-CG1 4.04Å; V110-V926 HydrophobicContact CG2-CG1 3.59Å; V110-V926 HydrophobicContact CG2-CG2 4.41Å; V110-E927 PolarHBondContact N-O 3.37Å; V110-C928 WeakPolarHBondContact O-CA 3.41Å; V110-I929 PolarHBondContact O-N 2.88Å; V110-I929 VanDerWaalsContact O-N 3.13Å
111D77.5Confident65.9Low25 Ų2540.1 Ų40.113%0.13427%0.266CS..  trans-78.7154.6173.4-73.5-53.9000111.4D113 F114 E115 R493 I929D111-D113 WeakPolarHBondContact CB-OD1 3.39Å; D111-D113 PolarHBondContact O-N 2.89Å; D111-D113 VanDerWaalsContact O-N 3.11Å; D111-F114 HydrophobicContact CB-CD2 4.26Å; D111-F114 PolarHBondContact O-N 3.2Å; D111-E115 PolarHBondContact O-N 3.11Å; D111-R493 VanDerWaalsContact CG-NH2 3.31Å; D111-R493 IonicContact OD2-CZ 2.75Å; D111-R493 VanDerWaalsContact OD2-CZ 3.25Å; D111-R493 IonicContact OD2-NH1 3.07Å; D111-R493 PolarHBondContact OD2-NH1 3.3Å; D111-R493 IonicContact OD2-NH2 3.85Å; D111-R493 PolarHBondContact OD2-NH2 2.92Å; D111-I929 VanDerWaalsContact OD1-CD1 3.31Å; D111-I929 WeakPolarHBondContact OD1-CD1 3.39Å
112E77.5Confident68.8Low49 Ų4934.8 Ų34.823%0.22922%0.222CC..THydrogen-bonded Turntrans-58.7-25.1-174.8-63.2179.7-17000114.6K467E112-K467 WeakPolarHBondContact OE1-CE 3.32Å; E112-K467 IonicContact OE1-NZ 3.66Å; E112-K467 PolarHBondContact OE1-NZ 2.8Å; E112-K467 WeakPolarHBondContact OE2-CE 3.32Å; E112-K467 WeakPolarHBondContact OE2-CG 3.36Å
113D77.3Confident71.7Confident6 Ų629 Ų293%0.03219%0.186CC..THydrogen-bonded Turntrans-75-29.6175.655.7-40000113.8D111 G466 I469 R473 R493D111-D113 WeakPolarHBondContact CB-OD1 3.39Å; D111-D113 PolarHBondContact O-N 2.89Å; D111-D113 VanDerWaalsContact O-N 3.11Å; D113-G466 WeakPolarHBondContact OD1-CA 3.49Å; D113-I469 HydrophobicContact CB-CB 3.94Å; D113-I469 HydrophobicContact CB-CD1 4.48Å; D113-I469 HydrophobicContact CB-CG2 3.85Å; D113-R473 PolarHBondContact O-NH1 2.91Å; D113-R473 PolarHBondContact O-NH2 3.25Å; D113-R493 IonicContact OD1-CZ 2.7Å; D113-R493 IonicContact OD1-NH2 2.79Å; D113-R493 PolarHBondContact OD1-NH2 3.13Å; D113-R493 IonicContact OD2-CZ 2.59Å; D113-R493 IonicContact OD2-NE 2.66Å; D113-R493 PolarHBondContact OD2-NE 3.26Å; D113-R493 VanDerWaalsContact OD2-NE 3.13Å; D113-R493 IonicContact OD2-NH2 2.69Å; D113-R493 PolarHBondContact OD2-NH2 2.87Å
114F82.8Confident74.7Confident24 Ų2426.3 Ų26.311%0.10516%0.159CC..THydrogen-bonded Turntrans-86.5-17.3-178.5-70.8-48.4000113.7V110 D111 R116 T117 V118 L201 A202 L205V110-F114 HydrophobicContact CG1-CB 3.99Å; D111-F114 HydrophobicContact CB-CD2 4.26Å; D111-F114 PolarHBondContact O-N 3.2Å; F114-R116 PolarHBondContact O-N 3.43Å; F114-T117 PolarHBondContact O-N 3Å; F114-T117 VanDerWaalsContact O-N 3.13Å; F114-V118 HydrophobicContact CB-CG2 4.03Å; F114-V118 HydrophobicContact CD1-CG2 3.68Å; F114-V118 HydrophobicContact CE1-CG2 4.46Å; F114-V118 HydrophobicContact CG-CG2 4.12Å; F114-V118 PolarHBondContact O-N 2.8Å; F114-L201 HydrophobicContact CB-CD2 3.77Å; F114-L201 HydrophobicContact CD2-CD2 3.89Å; F114-L201 HydrophobicContact CG-CD2 3.89Å; F114-A202 HydrophobicContact CE2-CB 3.91Å; F114-A202 HydrophobicContact CZ-CB 4.46Å; F114-L205 HydrophobicContact CD1-CD1 3.89Å; F114-L205 HydrophobicContact CD2-CD1 4.34Å; F114-L205 HydrophobicContact CE1-CD1 3.5Å; F114-L205 HydrophobicContact CE2-CD1 3.98Å; F114-L205 HydrophobicContact CG-CD1 4.3Å; F114-L205 HydrophobicContact CZ-CD1 3.54Å
115E77.5Confident77.4Confident39 Ų3928.5 Ų28.518%0.18216%0.159CC..THydrogen-bonded Turntrans-54.7-24.4177.6-70.6-163.8143.800113.7K78 V110 D111 L905 C928K78-E115 IonicContact NZ-OE1 3.72Å; K78-E115 PolarHBondContact NZ-OE1 3.14Å; K78-E115 IonicContact NZ-OE2 2.67Å; K78-E115 PolarHBondContact NZ-OE2 3.21Å; V110-E115 HydrophobicContact CG1-CG 4.3Å; D111-E115 PolarHBondContact O-N 3.11Å; E115-L905 WeakPolarHBondContact O-CD2 3.37Å; E115-C928 WeakPolarHBondContact OE1-CB 3.27Å; E115-C928 PolarHBondContact OE1-SG 3.19Å
116R75.6Confident80.1Confident45 Ų4524 Ų2417%0.1713%0.132CC..THydrogen-bonded Turntrans-99.9-30.6177-58.4-174.3-167.8-98.24.8114F114 E470 H871 E874F114-R116 PolarHBondContact O-N 3.43Å; R116-E470 IonicContact CZ-OE1 3.9Å; R116-E470 IonicContact NE-OE1 3.43Å; R116-E470 PolarHBondContact NE-OE1 3.33Å; R116-E470 IonicContact NE-OE2 3.71Å; R116-E470 IonicContact NH2-OE1 2.66Å; R116-E470 PolarHBondContact NH2-OE1 2.74Å; R116-H871 PolarHBondContact NH1-CE1 3.18Å; R116-E874 IonicContact CZ-OE2 2.72Å; R116-E874 IonicContact NH1-OE1 3.68Å; R116-E874 PolarHBondContact NH1-OE1 3.31Å; R116-E874 IonicContact NH1-OE2 3.62Å; R116-E874 PolarHBondContact NH1-OE2 3.26Å; R116-E874 IonicContact NH2-OE2 3.47Å; R116-E874 PolarHBondContact NH2-OE2 3.05Å
117T83.7Confident82.3Confident18 Ų1824.8 Ų24.811%0.1113%0.132CC..THydrogen-bonded Turntrans-105.64.6-168.4650000113.7L53 F114 R473L53-T117 PolarHBondContact N-O 3.45Å; F114-T117 PolarHBondContact O-N 3Å; F114-T117 VanDerWaalsContact O-N 3.13Å; T117-R473 VanDerWaalsContact CG2-NH2 3.29Å
118V88Confident83.7Confident15 Ų1525.2 Ų25.29%0.09114%0.137CC..EExtended strand (participates in β ladder)trans-142.9121.1176.2-166.30000110.2I50 F114 V120 L201 L205I50-V118 HydrophobicContact CG2-CG1 3.71Å; F114-V118 HydrophobicContact CB-CG2 4.03Å; F114-V118 HydrophobicContact CD1-CG2 3.68Å; F114-V118 HydrophobicContact CE1-CG2 4.46Å; F114-V118 HydrophobicContact CG-CG2 4.12Å; F114-V118 PolarHBondContact O-N 2.8Å; V118-V120 HydrophobicContact CG1-CG2 4.09Å; V118-L201 HydrophobicContact CB-CD2 4.04Å; V118-L201 HydrophobicContact CG1-CD2 4.07Å; V118-L201 HydrophobicContact CG2-CD2 4.02Å; V118-L205 HydrophobicContact CG1-CD2 4.47Å; V118-L205 HydrophobicContact CG2-CD1 3.84Å; V118-L205 HydrophobicContact CG2-CD2 4.44Å
119L89.8Confident84.6Confident9 Ų931.5 Ų31.55%0.04717%0.168CC..EExtended strand (participates in β ladder)trans-81.5134.5164.6176.670000109.1I50 Y51 V59 F62 L73 V121 F911I50-L119 WeakPolarHBondContact CA-O 3.25Å; Y51-L119 PolarHBondContact N-O 3.04Å; Y51-L119 PolarHBondContact O-N 3.33Å; V59-L119 HydrophobicContact CG1-CD2 4.3Å; V59-L119 HydrophobicContact CG2-CB 4.24Å; V59-L119 HydrophobicContact CG2-CD2 4.14Å; F62-L119 HydrophobicContact CD2-CD2 3.82Å; F62-L119 HydrophobicContact CE2-CD2 4.26Å; L73-L119 HydrophobicContact CD1-CD1 3.72Å; L73-L119 HydrophobicContact CD1-CD2 4.34Å; L119-V121 HydrophobicContact CD1-CG2 3.97Å; L119-V121 HydrophobicContact CD2-CG2 3.99Å; L119-V121 HydrophobicContact CG-CG2 3.8Å; L119-F911 HydrophobicContact CD1-CD2 3.91Å; L119-F911 HydrophobicContact CD1-CE2 4.41Å
120V89.1Confident85.6Confident25 Ų2532.8 Ų32.815%0.15217%0.173CC..EExtended strand (participates in β ladder)trans-131.3125.5173.4-177.40000108.2I48 F49 I50 I108 V118 L201 V926I48-V120 HydrophobicContact CG2-CG1 3.88Å; F49-V120 WeakPolarHBondContact O-CA 3.15Å; I50-V120 HydrophobicContact CG1-CG1 4.33Å; I50-V120 HydrophobicContact CG1-CG2 4.4Å; I108-V120 HydrophobicContact CD1-CG1 4.2Å; V118-V120 HydrophobicContact CG1-CG2 4.09Å; V120-L201 HydrophobicContact CG2-CD1 3.75Å; V120-V926 HydrophobicContact CB-CG2 3.9Å; V120-V926 HydrophobicContact CG1-CG2 3.76Å
121V89.5Confident86.4Confident1 Ų134.9 Ų34.91%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-129.9127.1-176.8-1680000110I48 F49 F62 L73 L119 L123 P913I48-V121 WeakPolarHBondContact CA-O 3.11Å; F49-V121 PolarHBondContact N-O 3.11Å; F49-V121 PolarHBondContact O-N 3.19Å; F62-V121 HydrophobicContact CD2-CG2 4.47Å; F62-V121 HydrophobicContact CE1-CB 4.36Å; F62-V121 HydrophobicContact CE1-CG1 3.88Å; F62-V121 HydrophobicContact CE1-CG2 4.15Å; F62-V121 HydrophobicContact CE2-CG2 4.08Å; F62-V121 HydrophobicContact CZ-CB 4.15Å; F62-V121 HydrophobicContact CZ-CG1 4.14Å; F62-V121 HydrophobicContact CZ-CG2 3.9Å; L73-V121 HydrophobicContact CD1-CG2 4.24Å; L73-V121 HydrophobicContact CD2-CB 4.48Å; L73-V121 HydrophobicContact CD2-CG1 3.71Å; L73-V121 HydrophobicContact CD2-CG2 3.95Å; L119-V121 HydrophobicContact CD1-CG2 3.97Å; L119-V121 HydrophobicContact CD2-CG2 3.99Å; L119-V121 HydrophobicContact CG-CG2 3.8Å; V121-L123 HydrophobicContact CB-CD2 4.37Å; V121-L123 HydrophobicContact CG1-CD2 3.87Å; V121-P913 HydrophobicContact CG1-CB 4.15Å
122N89.5Confident87.2Confident4 Ų433.7 Ų33.72%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-78.8122.2165-164.4-6.4000108.9E46 G47 G124 P923 C925E46-N122 PolarHBondContact OE1-ND2 2.73Å; E46-N122 PolarHBondContact OE1-OD1 2.63Å; G47-N122 PolarHBondContact O-OD1 3.46Å; N122-G124 PolarHBondContact OD1-N 3.42Å; N122-P923 PolarHBondContact ND2-O 3.24Å; N122-C925 HydrophobicContact CB-CB 4.27Å
123L89.4Confident88.1Confident0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-94.7-3.6174.3-55.3-172.4000112.6L4 G47 F49 F62 A64 I66 I71 V121 V132 I134L4-L123 HydrophobicContact CD1-CD1 3.74Å; G47-L123 PolarHBondContact O-N 3.05Å; F49-L123 HydrophobicContact CB-CD1 4.17Å; F49-L123 HydrophobicContact CB-CG 4.29Å; F62-L123 HydrophobicContact CE1-CD2 4.26Å; F62-L123 HydrophobicContact CZ-CD2 4.16Å; A64-L123 HydrophobicContact CB-CD1 4.32Å; A64-L123 HydrophobicContact CB-CD2 3.71Å; I66-L123 HydrophobicContact CD1-CB 3.88Å; I66-L123 WeakPolarHBondContact CD1-O 3.49Å; I71-L123 HydrophobicContact CD1-CB 4.21Å; I71-L123 HydrophobicContact CD1-CD2 4.46Å; I71-L123 WeakPolarHBondContact CD1-O 3.16Å; I71-L123 HydrophobicContact CG2-CD2 4.44Å; V121-L123 HydrophobicContact CB-CD2 4.37Å; V121-L123 HydrophobicContact CG1-CD2 3.87Å; L123-V132 HydrophobicContact CD1-CG1 3.94Å; L123-I134 HydrophobicContact CD1-CD1 3.84Å; L123-I134 HydrophobicContact CD1-CG1 4.49Å
124G87.3Confident89Confident14 Ų1434.5 Ų34.514%0.14418%0.183CC..EExtended strand (participates in β ladder)trans72-145.6-177.300000112E46 G47 N122E46-G124 CarbonylContact C-O 3.6Å; E46-G124 VanDerWaalsContact CA-O 3.32Å; E46-G124 WeakPolarHBondContact CA-O 3.15Å; G47-G124 PolarHBondContact N-O 2.64Å; N122-G124 PolarHBondContact OD1-N 3.42Å
125I89.7Confident89.5Confident121 Ų12135.1 Ų35.162%0.62119%0.187SC*.EExtended strand (participates in β ladder)trans-90.7117.4-169.2-57.6176.3000110.7A44 I45A44-I125 HydrophobicContact CB-CG2 3.76Å; I45-I125 CarbonylContact O-C 3.53Å; I45-I125 VanDerWaalsContact O-CA 3.31Å; I45-I125 WeakPolarHBondContact O-CA 3.35Å
126I92.3Very high90.3Very high0 Ų033.2 Ų33.20%018%0.179CC..EExtended strand (participates in β ladder)trans-91.2124.9171.6-55.9159000108.3L4 L13 N39 A44 I45 I66 E130 V132L4-I126 HydrophobicContact CD1-CD1 4.33Å; L4-I126 HydrophobicContact CD2-CD1 4.05Å; L13-I126 HydrophobicContact CD2-CD1 4.33Å; N39-I126 HydrophobicContact CB-CG2 3.81Å; A44-I126 CarbonylContact C-O 3.54Å; A44-I126 WeakPolarHBondContact CA-O 3.43Å; A44-I126 WeakPolarHBondContact CB-O 3.37Å; I45-I126 HydrophobicContact CD1-CB 4.49Å; I45-I126 HydrophobicContact CD1-CD1 4.09Å; I45-I126 HydrophobicContact CG1-CB 3.88Å; I45-I126 HydrophobicContact CG1-CD1 4.17Å; I45-I126 PolarHBondContact N-O 3.45Å; I45-I126 PolarHBondContact O-N 3.49Å; I66-I126 HydrophobicContact CD1-CG1 3.69Å; I66-I126 HydrophobicContact CG1-CG1 4.35Å; I66-I126 HydrophobicContact CG2-CG2 4.5Å; I126-E130 HydrophobicContact CG2-CB 4.31Å; I126-V132 HydrophobicContact CB-CG2 4.43Å; I126-V132 HydrophobicContact CD1-CG2 3.87Å; I126-V132 HydrophobicContact CG1-CG2 3.92Å; I126-V132 HydrophobicContact CG2-CG2 3.6Å
127P92.4Very high91.1Very high41 Ų4131.1 Ų31.127%0.26617%0.171SC..PPolyproline II helixtrans-63.6159.8175.1-18.930.3000113.5N39 I66 E130N39-P127 PolarHBondContact ND2-O 2.83Å; I66-P127 HydrophobicContact CG2-CG 4.49Å; P127-E130 HydrophobicContact CB-CB 4.03Å; P127-E130 HydrophobicContact CB-CG 4.43Å; P127-E130 HydrophobicContact CG-CB 4.29Å; P127-E130 HydrophobicContact CG-CG 4.21Å; P127-E130 WeakPolarHBondContact O-CB 3.38Å
128P92.1Very high91.6Very high56 Ų5630.7 Ų30.736%0.36417%0.168SC..THydrogen-bonded Turntrans-65.9143.1172.827.9-33.7000111.7E41 E130E41-P128 WeakPolarHBondContact O-CB 3.42Å; P128-E130 PolarHBondContact O-N 3.17Å
129M87.9Confident91.9Very high132 Ų13230 Ų3065%0.6516%0.164SC*.THydrogen-bonded Turntrans6215.4-178-50.1-72.896.100115.2N39 I40 E41N39-M129 VanDerWaalsContact O-CA 3.23Å; N39-M129 WeakPolarHBondContact O-CA 3.33Å; N39-M129 PolarHBondContact O-N 3.49Å; I40-M129 VanDerWaalsContact C-CE 3.48Å; I40-M129 WeakPolarHBondContact O-CE 3.24Å; E41-M129 VanDerWaalsContact O-CE 3.31Å; E41-M129 WeakPolarHBondContact O-CE 3.46Å
130E92.9Very high92.1Very high56 Ų5629.9 Ų29.926%0.26216%0.164SC..  trans-93147.4-175.8-161.469.1-173.500112.7N39 S67 I126 P127 P128N39-E130 PolarHBondContact N-O 3.4Å; S67-E130 WeakPolarHBondContact CA-OE1 3.43Å; S67-E130 WeakPolarHBondContact CB-OE1 3.44Å; S67-E130 PolarHBondContact N-OE1 3.3Å; S67-E130 PolarHBondContact OG-OE1 3.3Å; I126-E130 HydrophobicContact CG2-CB 4.31Å; P127-E130 HydrophobicContact CB-CB 4.03Å; P127-E130 HydrophobicContact CB-CG 4.43Å; P127-E130 HydrophobicContact CG-CB 4.29Å; P127-E130 HydrophobicContact CG-CG 4.21Å; P127-E130 WeakPolarHBondContact O-CB 3.38Å; P128-E130 PolarHBondContact O-N 3.17Å
131T92.7Very high92.3Very high53 Ų5330.7 Ų30.733%0.32517%0.166SC..EExtended strand (participates in β ladder)trans-85.8146.7169.657.90000111.9Y37 E38 H133Y37-T131 CarbonylContact O-C 3.57Å; Y37-T131 WeakPolarHBondContact O-CA 3.49Å; E38-T131 HydrophobicContact CG-CG2 4.02Å; T131-H133 PolarHBondContact OG1-NE2 3.38Å
132V95.1Very high92.4Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-123.5112.2173.4-172.60000108.9L4 T36 Y37 M65 I66 L123 I126 I134L4-V132 HydrophobicContact CD2-CB 3.93Å; L4-V132 HydrophobicContact CD2-CG1 3.99Å; L4-V132 HydrophobicContact CD2-CG2 4.08Å; T36-V132 WeakPolarHBondContact CA-O 3.35Å; Y37-V132 PolarHBondContact N-O 3.29Å; Y37-V132 PolarHBondContact O-N 3.04Å; M65-V132 WeakPolarHBondContact O-CA 3.5Å; I66-V132 HydrophobicContact CG1-CG1 3.93Å; I66-V132 HydrophobicContact CG1-CG2 4.13Å; L123-V132 HydrophobicContact CD1-CG1 3.94Å; I126-V132 HydrophobicContact CB-CG2 4.43Å; I126-V132 HydrophobicContact CD1-CG2 3.87Å; I126-V132 HydrophobicContact CG1-CG2 3.92Å; I126-V132 HydrophobicContact CG2-CG2 3.6Å; V132-I134 HydrophobicContact CG1-CD1 4.12Å; V132-I134 HydrophobicContact CG1-CG1 3.91Å
133H95Very high92.4Very high69 Ų6934.7 Ų34.732%0.31919%0.19SC..EExtended strand (participates in β ladder)trans-99.3120.9179.3-55.9-80.1000109.3T36 A64 M65 T131T36-H133 VanDerWaalsContact CG2-CE1 3.42Å; T36-H133 WeakPolarHBondContact CG2-CE1 3.46Å; T36-H133 WeakPolarHBondContact CG2-ND1 3.21Å; T36-H133 PolarHBondContact OG1-ND1 3.22Å; A64-H133 CarbonylContact C-O 3.56Å; A64-H133 WeakPolarHBondContact CA-O 3.36Å; M65-H133 HydrophobicContact CB-CB 4.45Å; M65-H133 HydrophobicContact CE-CB 3.95Å; M65-H133 PolarHBondContact N-O 3.21Å; M65-H133 PolarHBondContact O-N 3.42Å; M65-H133 VanDerWaalsContact O-N 3.17Å; T131-H133 PolarHBondContact OG1-NE2 3.38Å
134I95.8Very high92.5Very high2 Ų235.4 Ų35.41%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-121.4120.3-175.1-52.2-177.4000109.4L4 M35 Y37 F49 F62 A64 L123 V132 V136L4-I134 HydrophobicContact CB-CD1 4.44Å; L4-I134 HydrophobicContact CD2-CD1 4.38Å; M35-I134 HydrophobicContact CE-CG2 4.5Å; M35-I134 PolarHBondContact N-O 3.02Å; M35-I134 PolarHBondContact O-N 3.47Å; Y37-I134 HydrophobicContact CD2-CD1 3.96Å; Y37-I134 HydrophobicContact CD2-CG1 4.39Å; Y37-I134 HydrophobicContact CE2-CD1 3.94Å; F49-I134 HydrophobicContact CB-CD1 4.19Å; F49-I134 HydrophobicContact CD1-CG2 4.22Å; F49-I134 HydrophobicContact CD2-CD1 3.38Å; F49-I134 HydrophobicContact CD2-CG2 4.41Å; F49-I134 HydrophobicContact CE1-CG2 3.97Å; F49-I134 HydrophobicContact CE2-CD1 3.84Å; F49-I134 HydrophobicContact CE2-CG2 4.19Å; F49-I134 HydrophobicContact CG-CD1 3.82Å; F49-I134 HydrophobicContact CG-CG2 4.42Å; F49-I134 HydrophobicContact CZ-CG2 3.96Å; F62-I134 HydrophobicContact CE2-CG2 3.71Å; F62-I134 HydrophobicContact CZ-CG2 3.93Å; A64-I134 HydrophobicContact CB-CG1 4.22Å; A64-I134 HydrophobicContact CB-CG2 4.49Å; L123-I134 HydrophobicContact CD1-CD1 3.84Å; L123-I134 HydrophobicContact CD1-CG1 4.49Å; V132-I134 HydrophobicContact CG1-CD1 4.12Å; V132-I134 HydrophobicContact CG1-CG1 3.91Å; I134-V136 HydrophobicContact CG2-CG2 4.01Å
135L94.7Very high92.5Very high37 Ų3736.3 Ų36.319%0.19420%0.196CC..EExtended strand (participates in β ladder)trans-108.1115.5176-173.271.2000109.6T32 A33 F62 E63 S689T32-L135 HydrophobicContact CG2-CD1 3.57Å; T32-L135 HydrophobicContact CG2-CG 4.33Å; A33-L135 WeakPolarHBondContact O-CA 3.32Å; F62-L135 WeakPolarHBondContact CA-O 3.24Å; E63-L135 HydrophobicContact CB-CB 4.38Å; E63-L135 PolarHBondContact N-O 3.35Å; E63-L135 PolarHBondContact O-N 3.38Å; L135-S689 WeakPolarHBondContact CD2-OG 3.44Å
136V93.7Very high92.3Very high0 Ų033.6 Ų33.60%019%0.186CC..EExtended strand (participates in β ladder)trans-113.9128.4176.3-171.20000109.3T32 A33 M35 F49 Y51 F62 I134 T138T32-V136 CarbonylContact C-O 3.52Å; T32-V136 WeakPolarHBondContact CA-O 3.46Å; A33-V136 PolarHBondContact N-O 2.88Å; A33-V136 PolarHBondContact O-N 2.89Å; M35-V136 HydrophobicContact CE-CB 4.3Å; M35-V136 HydrophobicContact CE-CG2 3.62Å; F49-V136 HydrophobicContact CE1-CG2 3.73Å; F49-V136 HydrophobicContact CZ-CG2 3.95Å; Y51-V136 HydrophobicContact CD1-CG1 4.16Å; Y51-V136 HydrophobicContact CD2-CG1 4.46Å; Y51-V136 HydrophobicContact CD2-CG2 4.33Å; Y51-V136 HydrophobicContact CE1-CG1 3.92Å; Y51-V136 HydrophobicContact CE2-CB 4.38Å; Y51-V136 HydrophobicContact CE2-CG1 4.22Å; Y51-V136 HydrophobicContact CE2-CG2 4.4Å; Y51-V136 HydrophobicContact CG-CG1 4.41Å; F62-V136 HydrophobicContact CD2-CG2 4.08Å; F62-V136 HydrophobicContact CE2-CG2 4.12Å; I134-V136 HydrophobicContact CG2-CG2 4.01Å; V136-T138 HydrophobicContact CG1-CG2 4.26Å
137S93Very high92Very high1 Ų136.5 Ų36.51%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-114.2130.9170.8-86.50000110.5L31 T32 V60 G61 R688L31-S137 CarbonylContact O-C 3.58Å; L31-S137 WeakPolarHBondContact O-CA 3.34Å; T32-S137 PolarHBondContact OG1-OG 2.6Å; V60-S137 PolarHBondContact N-O 2.89Å; G61-S137 PolarHBondContact N-O 3.39Å; G61-S137 VanDerWaalsContact N-O 3.09Å; G61-S137 PolarHBondContact O-N 2.67Å; S137-R688 WeakPolarHBondContact OG-CD 3.45Å; S137-R688 PolarHBondContact OG-NH1 2.8Å; S137-R688 VanDerWaalsContact OG-NH1 3.09Å
138T94.1Very high91.7Very high8 Ų834.5 Ų34.55%0.04919%0.194CC..EExtended strand (participates in β ladder)trans-130.9155.2177.554.50000111.8L31 Y51 L53 I58 V59 V136L31-T138 PolarHBondContact N-O 3.48Å; L31-T138 PolarHBondContact O-N 2.76Å; L31-T138 PolarHBondContact O-OG1 3Å; Y51-T138 HydrophobicContact CE1-CG2 3.92Å; L53-T138 HydrophobicContact CD2-CG2 3.78Å; I58-T138 CarbonylContact O-C 3.54Å; I58-T138 WeakPolarHBondContact O-CA 3.22Å; I58-T138 WeakPolarHBondContact O-CB 3.47Å; V59-T138 HydrophobicContact CG2-CG2 4.34Å; V136-T138 HydrophobicContact CG1-CG2 4.26Å
139S94.3Very high91.6Very high1 Ų131.9 Ų31.91%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-125.6144164.7-60.50000109.3L29 S57 I58L29-S139 CarbonylContact O-C 3.58Å; L29-S139 VanDerWaalsContact O-CA 3.25Å; L29-S139 WeakPolarHBondContact O-CA 3.2Å; S57-S139 WeakPolarHBondContact CA-O 3.36Å; I58-S139 VanDerWaalsContact CG1-O 3.26Å; I58-S139 WeakPolarHBondContact CG1-O 3.31Å; I58-S139 PolarHBondContact N-O 3.37Å; I58-S139 PolarHBondContact O-N 3.42Å
140S93.9Very high91.8Very high6 Ų625.7 Ų25.74%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-146.1154.3-179.864.50000113.8T28 L29 N56 S57T28-S140 WeakPolarHBondContact CA-O 3.44Å; L29-S140 PolarHBondContact N-O 3.42Å; L29-S140 PolarHBondContact O-N 3.02Å; N56-S140 WeakPolarHBondContact O-CA 3.19Å; S57-S140 WeakPolarHBondContact OG-CB 3.41Å
141E93.7Very high91.8Very high43 Ų4326.8 Ų26.820%0.20115%0.148CC..EExtended strand (participates in β ladder)trans-80.4128.5164.8-63.1-179177.200109.8N56 I563 L864N56-E141 HydrophobicContact CB-CB 4.01Å; N56-E141 HydrophobicContact CB-CG 4.28Å; N56-E141 PolarHBondContact ND2-OE2 3.38Å; N56-E141 PolarHBondContact O-N 2.9Å; E141-I563 HydrophobicContact CB-CD1 3.92Å; E141-I563 HydrophobicContact CG-CD1 3.86Å; E141-L864 HydrophobicContact CG-CD2 4.49Å
142L91.9Very high91.9Very high8 Ų824.4 Ų24.44%0.04213%0.133CC..PPolyproline II helixtrans-85.8144.9-176.4-69.3174.8000112.9V24 Y27 L29 I150 V152V24-L142 HydrophobicContact CG1-CD1 3.97Å; V24-L142 HydrophobicContact CG2-CD1 4.01Å; Y27-L142 PolarHBondContact O-N 3.41Å; L29-L142 HydrophobicContact CB-CD1 4.1Å; L29-L142 HydrophobicContact CB-CD2 3.72Å; L29-L142 HydrophobicContact CB-CG 3.94Å; L29-L142 HydrophobicContact CD2-CD2 4.18Å; L29-L142 HydrophobicContact CG-CD2 4.46Å; L142-I150 HydrophobicContact CB-CG2 3.63Å; L142-I150 HydrophobicContact CD1-CG2 3.57Å; L142-I150 HydrophobicContact CG-CG2 4.23Å; L142-V152 HydrophobicContact CD1-CG2 3.95Å; L142-V152 HydrophobicContact CD2-CG2 4.13Å
143T88.7Confident91.7Very high80 Ų8026.1 Ų26.149%0.49115%0.145SC..EExtended strand (participates in β ladder)trans-78.6139.6174.861.20000111.4R151T143-R151 PolarHBondContact O-N 3.31Å
144T90.6Very high91.5Very high15 Ų1523 Ų239%0.09213%0.131CC..EExtended strand (participates in β ladder)trans-101.9151.8176.436.90000111Y27 G149 I150 C339 G559 S561Y27-T144 HydrophobicContact CD1-CG2 4.27Å; Y27-T144 HydrophobicContact CE1-CG2 4.06Å; Y27-T144 HydrophobicContact CE2-CG2 4.41Å; T144-G149 CarbonylContact C-O 3.57Å; T144-G149 WeakPolarHBondContact CA-O 3.49Å; T144-I150 HydrophobicContact CG2-CG1 4.44Å; T144-C339 HydrophobicContact CG2-CB 4.33Å; T144-G559 VanDerWaalsContact O-O 3.07Å; T144-G559 PolarHBondContact OG1-O 3.36Å; T144-S561 VanDerWaalsContact OG1-CB 3.3Å; T144-S561 WeakPolarHBondContact OG1-CB 3.21Å; T144-S561 PolarHBondContact OG1-N 3.46Å; T144-S561 PolarHBondContact OG1-OG 2.83Å
145L88.9Confident91.2Very high34 Ų3423.8 Ų23.818%0.17814%0.136CC..PPolyproline II helixtrans-86.5162.4171.8-62.2-179.5000109.8S147 G148 G149 L270 Y272L145-S147 PolarHBondContact O-N 3.24Å; L145-G148 WeakPolarHBondContact O-CA 3.3Å; L145-G148 PolarHBondContact O-N 3.21Å; L145-G149 PolarHBondContact N-O 3.22Å; L145-L270 HydrophobicContact CD1-CD1 4.38Å; L145-L270 HydrophobicContact CD1-CD2 4.28Å; L145-Y272 HydrophobicContact CD1-CE1 4.36Å
146P84.1Confident90.8Very high64 Ų6424 Ų2442%0.41614%0.14SC..THydrogen-bonded Turntrans-66.20.5172.1-22.134.5000115.7
147S85.7Confident90.6Very high60 Ų6024.3 Ų24.342%0.4214%0.142SC..THydrogen-bonded Turntrans-101.23.3167.253.10000112.8L145 G149L145-S147 PolarHBondContact O-N 3.24Å; S147-G149 PolarHBondContact O-N 3.34Å
148G86.3Confident90.4Very high0 Ų024.2 Ų24.20%014%0.141CC..SBendtrans68.57.4-174.600000115.5L145 P276L145-G148 WeakPolarHBondContact O-CA 3.3Å; L145-G148 PolarHBondContact O-N 3.21Å; G148-P276 WeakPolarHBondContact O-CB 3.28Å
149G90.4Very high90.2Very high1 Ų124 Ų241%0.0114%0.14CC..  trans-64.2150.7163.100000111.5T144 L145 S147 I271T144-G149 CarbonylContact C-O 3.57Å; T144-G149 WeakPolarHBondContact CA-O 3.49Å; L145-G149 PolarHBondContact N-O 3.22Å; S147-G149 PolarHBondContact O-N 3.34Å; G149-I271 CarbonylContact C-O 3.54Å; G149-I271 VanDerWaalsContact CA-O 3.3Å; G149-I271 WeakPolarHBondContact CA-O 3.43Å
150I93.1Very high90Very high1 Ų124.4 Ų24.41%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-104.7135-174.2-51.8162.5000108.6Y27 L142 T144 L270 I271 P273Y27-I150 HydrophobicContact CD1-CD1 3.7Å; Y27-I150 HydrophobicContact CD1-CG1 3.84Å; Y27-I150 HydrophobicContact CE1-CD1 3.96Å; Y27-I150 HydrophobicContact CE1-CG1 3.96Å; L142-I150 HydrophobicContact CB-CG2 3.63Å; L142-I150 HydrophobicContact CD1-CG2 3.57Å; L142-I150 HydrophobicContact CG-CG2 4.23Å; T144-I150 HydrophobicContact CG2-CG1 4.44Å; I150-L270 WeakPolarHBondContact O-CA 3.35Å; I150-I271 HydrophobicContact CB-CB 4.35Å; I150-I271 PolarHBondContact N-O 3.3Å; I150-I271 PolarHBondContact O-N 3.42Å; I150-P273 HydrophobicContact CD1-CG 4.17Å; I150-P273 HydrophobicContact CG1-CG 4.48Å
151R93Very high89.7Confident80 Ų8029.3 Ų29.330%0.30216%0.16SC..EExtended strand (participates in β ladder)trans-105.6131.6179.9172.5-178.7-71.5-95.2-25.4110.9T143 E268 L270T143-R151 PolarHBondContact O-N 3.31Å; R151-E268 IonicContact CZ-OE1 2.75Å; R151-E268 IonicContact CZ-OE2 3.55Å; R151-E268 IonicContact NE-OE1 3.61Å; R151-E268 IonicContact NH1-OE1 2.64Å; R151-E268 PolarHBondContact NH1-OE1 3.17Å; R151-E268 IonicContact NH1-OE2 3.64Å; R151-E268 PolarHBondContact NH1-OE2 3.09Å; R151-E268 IonicContact NH2-OE1 3.63Å; R151-E268 PolarHBondContact NH2-OE1 3.34Å; R151-L270 HydrophobicContact CB-CD2 3.79Å; R151-L270 HydrophobicContact CG-CD2 3.95Å
152V93.4Very high89.4Confident3 Ų328.2 Ų28.22%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-123.1132.4174.6-1780000109.2V24 L29 L142 E268 I269 I271V24-V152 HydrophobicContact CG2-CG2 3.92Å; L29-V152 HydrophobicContact CD1-CG1 4.05Å; L29-V152 HydrophobicContact CD2-CG1 4.22Å; L142-V152 HydrophobicContact CD1-CG2 3.95Å; L142-V152 HydrophobicContact CD2-CG2 4.13Å; V152-E268 WeakPolarHBondContact O-CA 3.26Å; V152-I269 HydrophobicContact CB-CB 4.39Å; V152-I269 PolarHBondContact N-O 3.23Å; V152-I269 PolarHBondContact O-N 2.93Å; V152-I271 HydrophobicContact CG2-CD1 4.12Å
153S91.8Very high88.7Confident36 Ų3633.9 Ų33.925%0.25218%0.182SC..EExtended strand (participates in β ladder)trans-122.9141.8177.924.40000111.5E54 V267E54-S153 PolarHBondContact OE1-OG 3.18Å; S153-V267 CarbonylContact C-O 3.51Å; S153-V267 WeakPolarHBondContact CA-O 3.27Å
154S90.7Very high87.7Confident3 Ų338.1 Ų38.12%0.02119%0.19CC..  trans-78.4134.4167.364.50000110.9T159 P266 V267S154-T159 WeakPolarHBondContact OG-CG2 2.97Å; S154-T159 PolarHBondContact OG-OG1 3.09Å; S154-T159 VanDerWaalsContact OG-OG1 3.09Å; S154-P266 WeakPolarHBondContact OG-CB 3.48Å; S154-V267 PolarHBondContact N-O 3.2Å; S154-V267 PolarHBondContact OG-N 3.21Å
155P89.6Confident85.6Confident18 Ų1843.1 Ų43.112%0.11722%0.22CC..  trans-58.2130.5175.6-2735.8000111.9L31 V157 C158 T159L31-P155 HydrophobicContact CD1-CG 4.24Å; L31-P155 HydrophobicContact CD2-CG 4.44Å; P155-V157 PolarHBondContact O-N 3.06Å; P155-V157 VanDerWaalsContact O-N 3.1Å; P155-C158 WeakPolarHBondContact O-CA 3.46Å; P155-C158 WeakPolarHBondContact O-CB 3.39Å; P155-C158 PolarHBondContact O-N 3.36Å; P155-T159 PolarHBondContact O-N 3.31Å; P155-T159 PolarHBondContact O-OG1 3.39Å
156P86.8Confident83.5Confident43 Ų4349.2 Ų49.228%0.27925%0.251SS..THydrogen-bonded Turntrans-63.7-16.3-177.3-26.935.9000115.5M1 C158 T159 P160 P266M1-P156 HydrophobicContact CE-CB 3.76Å; M1-P156 HydrophobicContact CE-CG 3.86Å; M1-P156 HydrophobicContact SD-CB 4.12Å; M1-P156 HydrophobicContact SD-CG 4.39Å; P156-C158 VanDerWaalsContact C-N 3.35Å; P156-T159 CarbonylContact O-C 3.58Å; P156-T159 PolarHBondContact O-N 3.03Å; P156-P160 VanDerWaalsContact O-N 3.14Å; P156-P266 HydrophobicContact CG-CG 4.22Å
157V87.8Confident81.3Confident5 Ų553.3 Ų53.33%0.0327%0.27CS..THydrogen-bonded Turntrans-72.8-28.4170.9169.50000112.1P2 M35 Y51 P52 P155P2-V157 WeakPolarHBondContact O-CG2 3.17Å; M35-V157 HydrophobicContact SD-CG1 4.22Å; Y51-V157 HydrophobicContact CD2-CB 4.44Å; Y51-V157 HydrophobicContact CD2-CG1 4.14Å; P52-V157 HydrophobicContact CG-CG2 4.21Å; P155-V157 PolarHBondContact O-N 3.06Å; P155-V157 VanDerWaalsContact O-N 3.1Å
158C90.1Very high79.1Confident0 Ų059.1 Ų59.10%029%0.29CS..THydrogen-bonded Turntrans-87.5-9.5170.3-46.40000112.3I20 A33 P155 P156 P160I20-C158 HydrophobicContact CD1-CB 3.62Å; I20-C158 HydrophobicContact CG1-CB 4.04Å; A33-C158 WeakPolarHBondContact CB-SG 3.49Å; P155-C158 WeakPolarHBondContact O-CA 3.46Å; P155-C158 WeakPolarHBondContact O-CB 3.39Å; P155-C158 PolarHBondContact O-N 3.36Å; P156-C158 VanDerWaalsContact C-N 3.35Å; C158-P160 VanDerWaalsContact C-CD 3.42Å
159T90.1Very high76.7Confident2 Ų266.9 Ų66.91%0.01233%0.326CS..SBendtrans-131.653.9179.837.90000112.6I20 S154 P155 P156 Y215 F217 Y261I20-T159 HydrophobicContact CD1-CG2 4.46Å; S154-T159 WeakPolarHBondContact OG-CG2 2.97Å; S154-T159 PolarHBondContact OG-OG1 3.09Å; S154-T159 VanDerWaalsContact OG-OG1 3.09Å; P155-T159 PolarHBondContact O-N 3.31Å; P155-T159 PolarHBondContact O-OG1 3.39Å; P156-T159 CarbonylContact O-C 3.58Å; P156-T159 PolarHBondContact O-N 3.03Å; T159-Y215 WeakPolarHBondContact CA-OH 3.4Å; T159-F217 HydrophobicContact CG2-CD2 4.27Å; T159-F217 HydrophobicContact CG2-CE1 4.39Å; T159-F217 HydrophobicContact CG2-CE2 3.45Å; T159-F217 VanDerWaalsContact CG2-CE2 3.45Å; T159-F217 HydrophobicContact CG2-CZ 3.51Å; T159-Y261 WeakPolarHBondContact CB-OH 3.32Å; T159-Y261 HydrophobicContact CG2-CE1 4.42Å; T159-Y261 HydrophobicContact CG2-CE2 4.41Å
160P89.6Confident74Confident10 Ų1075.4 Ų75.47%0.06537%0.366CS..PPolyproline II helixtrans-68.3147.7179.630.8-37000111.7L15 P156 C158 A209 N211 Y215L15-P160 HydrophobicContact CD2-CG 3.6Å; P156-P160 VanDerWaalsContact O-N 3.14Å; C158-P160 VanDerWaalsContact C-CD 3.42Å; P160-A209 HydrophobicContact CB-CB 4.16Å; P160-N211 HydrophobicContact CB-CB 4.18Å; P160-N211 HydrophobicContact CG-CB 4.06Å; P160-Y215 WeakPolarHBondContact CD-OH 3.23Å; P160-Y215 HydrophobicContact CG-CE1 4.01Å; P160-Y215 WeakPolarHBondContact O-CE1 3.24Å
161R88.1Confident71.2Confident110 Ų11078.8 Ų78.842%0.41540%0.401SS..EExtended strand (participates in β ladder)trans-82.3131.7-176.6-48.6-179.883.6-160.84.2109.7E208 A209 I210 N211 Y263 D264R161-E208 VanDerWaalsContact CD-OE2 3.26Å; R161-E208 WeakPolarHBondContact CD-OE2 3.37Å; R161-E208 IonicContact CZ-OE2 2.68Å; R161-E208 IonicContact NE-OE2 3.64Å; R161-E208 IonicContact NH1-OE1 2.88Å; R161-E208 IonicContact NH1-OE2 3.84Å; R161-E208 PolarHBondContact NH1-OE2 3.21Å; R161-A209 PolarHBondContact N-O 2.88Å; R161-I210 CarbonylContact O-C 3.57Å; R161-I210 VanDerWaalsContact O-CA 3.27Å; R161-I210 WeakPolarHBondContact O-CA 3.33Å; R161-N211 PolarHBondContact O-N 3.12Å; R161-Y263 WeakPolarHBondContact CA-O 3.48Å; R161-D264 PolarHBondContact NE-O 3.18Å; R161-D264 PolarHBondContact NH2-O 2.93Å
162V87Confident68.4Low19 Ų1983.7 Ų83.712%0.11543%0.432CS..EExtended strand (participates in β ladder)trans-82.9127.8-177.4178.40000111.1R164 N211 M213 Y215 Y263V162-R164 PolarHBondContact O-N 3.28Å; V162-N211 HydrophobicContact CG2-CB 4.46Å; V162-M213 WeakPolarHBondContact CG2-O 3.4Å; V162-Y215 HydrophobicContact CG2-CD1 3.96Å; V162-Y215 HydrophobicContact CG2-CE1 4.02Å; V162-Y263 HydrophobicContact CB-CG 4.34Å; V162-Y263 HydrophobicContact CG2-CD1 3.77Å; V162-Y263 HydrophobicContact CG2-CD2 4.25Å; V162-Y263 HydrophobicContact CG2-CE1 4.42Å; V162-Y263 HydrophobicContact CG2-CG 3.67Å
163Q76.1Confident65.2Low127 Ų12789.2 Ų89.259%0.59347%0.471SS*.  trans-75.183.4179.1-169175.82.300112.1T165 I210 N211Q163-T165 PolarHBondContact O-N 2.93Å; Q163-I210 HydrophobicContact CB-CG2 3.76Å; Q163-N211 PolarHBondContact N-O 3.42Å
164R67.6Low62.6Low170 Ų17092.5 Ų92.564%0.64249%0.492SS*.  trans-63.8105.3172.7-62.9-172.5-172.8156.212.5110.8V162 I166 T262V162-R164 PolarHBondContact O-N 3.28Å; R164-I166 PolarHBondContact O-N 2.87Å; R164-T262 PolarHBondContact NH2-O 2.97Å
165T47.6Very low59.6Low120 Ų12099.6 Ų99.674%0.73653%0.529SS*.  trans-70.3107.2173.339.70000109.7Q163 N167Q163-T165 PolarHBondContact O-N 2.93Å; T165-N167 VanDerWaalsContact C-N 3.35Å; T165-N167 PolarHBondContact O-N 3.46Å
166I44.6Very low56.8Low161 Ų161108.9 Ų108.983%0.82657%0.568SS**  trans-72.490.6-178.5-54.6176.9000109.4R164R164-I166 PolarHBondContact O-N 2.87Å
167N38.9Very low53.9Low150 Ų150111.9 Ų111.980%0.80259%0.59SS**  trans-137.551.2176.2-111.94.1000111T165T165-N167 VanDerWaalsContact C-N 3.35Å; T165-N167 PolarHBondContact O-N 3.46Å
168E37.8Very low51.4Low182 Ų182121.8 Ų121.885%0.8563%0.627SS**SBendtrans-169.3137.9135.7-103.2159.5-164.500111.6
169E36.1Very low48.4Very low163 Ų163127.8 Ų127.876%0.76266%0.664SS**SBendtrans45105.3166.3-49.9-130.910600121.8
170Q35.4Very low45.4Very low180 Ų180138.7 Ų138.784%0.84171%0.705SS**  trans39.6123.3132.9-50.2177.559.600119.7
171G34.1Very low42.3Very low72 Ų72145.2 Ų145.274%0.74274%0.735SS**  cis166.6-1724.200000111.7
172L32.8Very low39.4Very low183 Ų183150.9 Ų150.996%0.95876%0.756SS**  trans74.884.6178.7-55.3176.7000118.8
173S26.8Very low36.7Very low120 Ų120155.4 Ų155.484%0.83979%0.786SS**  trans-163.3133.2133.2-162.80000111.3
174P37.8Very low34.3Very low104 Ų104155.8 Ų155.868%0.67580%0.797SS**  trans-104.5158.2-176.838.3-33.6000115.1
175N27.8Very low32.3Very low152 Ų152153.6 Ų153.681%0.81381%0.806SS**  trans74.469.7158-55.7-19.9000119.2
176F29.6Very low31.3Very low213 Ų213152.6 Ų152.693%0.93481%0.81SS**  -103.6130.5129.7-93.2-88.2000109.2R178F176-R178 PolarHBondContact O-N 2.8Å
177S27.3Very low30.4Very low106 Ų106149.6 Ų149.674%0.74180%0.804SS**  trans-76.4115.8-178.242.30000111.3T179S177-T179 PolarHBondContact O-N 3.43Å; S177-T179 VanDerWaalsContact O-N 3.11Å
178R33.8Very low29.8Very low213 Ų213147.7 Ų147.780%0.80480%0.802SS**  trans-51.3119.4172.9-73.7-171-177.7-174.93.8110.2F176 E181F176-R178 PolarHBondContact O-N 2.8Å; R178-E181 IonicContact CZ-OE1 3.58Å; R178-E181 IonicContact NH1-OE1 3.57Å; R178-E181 PolarHBondContact NH1-OE1 2.84Å
179T26.7Very low29.3Very low127 Ų127144.9 Ų144.978%0.77980%0.799SS**  trans-109.7102.3169.2-580000109.2S177S177-T179 PolarHBondContact O-N 3.43Å; S177-T179 VanDerWaalsContact O-N 3.11Å
180R28.1Very low29.1Very low230 Ų230145.3 Ų145.387%0.86880%0.801SS**  trans62.493.9164.6-164.5179.6-166.2170.54116.9R182R180-R182 PolarHBondContact O-N 3.14Å
181E25.1Very low28.6Very low148 Ų148144.3 Ų144.369%0.69280%0.802SS**  trans-56.5134.8155.5-70160.4-159.300110.3R178R178-E181 IonicContact CZ-OE1 3.58Å; R178-E181 IonicContact NH1-OE1 3.57Å; R178-E181 PolarHBondContact NH1-OE1 2.84Å
182R26.9Very low28.4Very low229 Ų229150.3 Ų150.386%0.86481%0.81SS**  trans-113.8134.7165.7-160.1172.5-171.4-178.60.1106R180R180-R182 PolarHBondContact O-N 3.14Å
183P30Very low28.1Very low113 Ų113148.2 Ų148.273%0.73480%0.8SS**  trans-66.8138.2-163.525.3-35.1000112.4C185P183-C185 PolarHBondContact O-N 2.85Å
184T25.3Very low28.4Very low136 Ų136147.5 Ų147.583%0.83479%0.793SS**  trans-58.5122.8172.4-43.40000110.1A186T184-A186 PolarHBondContact O-N 3.37Å
185C24.9Very low27.9Very low123 Ų123149.4 Ų149.483%0.83180%0.797SS**  trans-75.870-177.8-70.40000112.8P183P183-C185 PolarHBondContact O-N 2.85Å
186A28.1Very low28.4Very low99 Ų99145.6 Ų145.682%0.81879%0.787SS**  trans-96.969.5164.900000109.9T184T184-A186 PolarHBondContact O-N 3.37Å
187S25.9Very low28.9Very low99 Ų99140.3 Ų140.369%0.69278%0.776SS**  trans-115.5128.5179.353.50000111.8
188S25Very low30.1Very low109 Ų109139.2 Ų139.276%0.76277%0.766SS**  trans-53146.4178.4-166.60000112.8H190S188-H190 VanDerWaalsContact C-N 3.29Å; S188-H190 PolarHBondContact O-N 3.45Å
189P28Very low31.3Very low123 Ų123130.3 Ų130.380%0.79974%0.735SS**SBendtrans-75.672-174.431.8-37.8000113.3
190H31.2Very low33.2Very low172 Ų172130.4 Ų130.480%0.79672%0.721SS**  trans-161.686.9162.8-119.1-65000111.8S188S188-H190 VanDerWaalsContact C-N 3.29Å; S188-H190 PolarHBondContact O-N 3.45Å
191D25.5Very low35.4Very low160 Ų160119.5 Ų119.586%0.85668%0.68SS**  trans174.889141.5-93.9-14.1000110.2
192Q29.9Very low37.5Very low198 Ų198113.1 Ų113.193%0.92565%0.652SS**  trans-84.1118.7172-72.4-175.8-9.600110.4
193N26.4Very low39.5Very low138 Ų138105 Ų10574%0.73863%0.634SS**  trans-101110.9172.1-174.96.9000109.3N195N193-N195 PolarHBondContact O-N 2.81Å
194P32.1Very low41.5Very low106 Ų106100.7 Ų100.769%0.68861%0.605SS**SBendtrans-76.311.9-160.830.4-37.7000116.3
195N28.3Very low44Very low143 Ų14395.5 Ų95.577%0.76557%0.572SS**  trans-105.772.4178.6-79.5-18.4000111.5N193 S197N193-N195 PolarHBondContact O-N 2.81Å; N195-S197 PolarHBondContact O-N 3.13Å
196A37.9Very low46.3Very low73 Ų7396.3 Ų96.360%0.60356%0.563SS**PPolyproline II helixtrans-66.4125165.200000109.9
197S41Very low48.3Very low102 Ų10296.9 Ų96.971%0.71355%0.553SS**PPolyproline II helixtrans-69.5144.6172.851.20000111N195N195-S197 PolarHBondContact O-N 3.13Å
198P52Low50.4Low82 Ų8297.8 Ų97.853%0.53255%0.546SS..PPolyproline II helixtrans-59.4143.8-177.924.9-34.8000112.4
199L58.8Low52.8Low26 Ų2693.1 Ų93.114%0.13651%0.514CS..EExtended strand (participates in β ladder)trans-79.1120.5-177.1-81.9173.4000111Q10 I108 L109Q10-L199 HydrophobicContact CG-CD2 4.32Å; I108-L199 HydrophobicContact CG1-CB 4.23Å; I108-L199 HydrophobicContact CG1-CD1 4.29Å; L109-L199 WeakPolarHBondContact CB-O 3.35Å; L109-L199 PolarHBondContact N-O 3.19Å
200W66.4Low55.4Low129 Ų12991.5 Ų91.549%0.48950%0.498SS..EExtended strand (participates in β ladder)trans-89.1114.2173.4-69.783.3000109.7L109 A202 A203 I929L109-W200 HydrophobicContact CD2-CD2 4.18Å; L109-W200 HydrophobicContact CD2-CE3 4.1Å; L109-W200 HydrophobicContact CD2-CH2 3.61Å; L109-W200 HydrophobicContact CD2-CZ2 3.67Å; L109-W200 HydrophobicContact CD2-CZ3 3.83Å; W200-A202 PolarHBondContact O-N 3.22Å; W200-A202 VanDerWaalsContact O-N 3.09Å; W200-A203 PolarHBondContact O-N 2.99Å; W200-I929 HydrophobicContact CH2-CD1 3.85Å; W200-I929 HydrophobicContact CZ3-CD1 3.59Å
201L74.9Confident58.1Low1 Ų183.7 Ų83.71%0.00546%0.462CS..Hα-helixtrans-51.8-36.2178.3-168.783.9000112I50 I108 L109 V110 F114 V118 V120 A203 L204 L205I50-L201 HydrophobicContact CD1-CD1 4.24Å; I108-L201 HydrophobicContact CG2-CB 4.02Å; I108-L201 HydrophobicContact CG2-CD1 3.74Å; L109-L201 PolarHBondContact O-N 3.35Å; V110-L201 HydrophobicContact CG1-CD2 4.34Å; V110-L201 HydrophobicContact CG2-CB 4.43Å; V110-L201 HydrophobicContact CG2-CD2 4.18Å; F114-L201 HydrophobicContact CB-CD2 3.77Å; F114-L201 HydrophobicContact CD2-CD2 3.89Å; F114-L201 HydrophobicContact CG-CD2 3.89Å; V118-L201 HydrophobicContact CB-CD2 4.04Å; V118-L201 HydrophobicContact CG1-CD2 4.07Å; V118-L201 HydrophobicContact CG2-CD2 4.02Å; V120-L201 HydrophobicContact CG2-CD1 3.75Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.27Å; L201-L204 PolarHBondContact O-N 3.3Å; L201-L205 HydrophobicContact CD2-CD1 3.81Å; L201-L205 HydrophobicContact CG-CD1 3.79Å; L201-L205 HydrophobicContact CG-CG 4.35Å; L201-L205 WeakPolarHBondContact O-CG 3.45Å; L201-L205 PolarHBondContact O-N 3.45Å; L201-L205 VanDerWaalsContact O-N 3.1Å
202A68Low60.9Low14 Ų1480 Ų8012%0.11645%0.449CS..Hα-helixtrans-51.7-43.9177.100000113.8F114 W200 L205 E206F114-A202 HydrophobicContact CE2-CB 3.91Å; F114-A202 HydrophobicContact CZ-CB 4.46Å; W200-A202 PolarHBondContact O-N 3.22Å; W200-A202 VanDerWaalsContact O-N 3.09Å; A202-L205 PolarHBondContact O-N 3.4Å; A202-E206 PolarHBondContact O-N 2.72Å
203A68.9Low63.6Low58 Ų5874 Ų7448%0.47942%0.422SS..Hα-helixtrans-69.4-44.2-178.100000111.2W200 L201 L205 E206W200-A203 PolarHBondContact O-N 2.99Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.27Å; A203-L205 PolarHBondContact O-N 3.46Å; A203-E206 PolarHBondContact O-N 3.06Å
204L73.2Confident66.7Low24 Ų2471.7 Ų71.713%0.12641%0.409CS..Hα-helixtrans-61.4-25176.3-65.6174.2000112.6M1 P2 I5 I50 L201M1-L204 PolarHBondContact N-O 2.71Å; P2-L204 VanDerWaalsContact CD-O 3.26Å; P2-L204 WeakPolarHBondContact CD-O 3.31Å; P2-L204 HydrophobicContact CG-CB 3.81Å; P2-L204 WeakPolarHBondContact CG-O 3.16Å; I5-L204 HydrophobicContact CD1-CD1 4.22Å; I50-L204 HydrophobicContact CD1-CD1 4.17Å; L201-L204 PolarHBondContact O-N 3.3Å
205L78.5Confident69.5Low27 Ų2767 Ų6714%0.14138%0.378CS..Hα-helixtrans-84.2-31.2177.7-68.9166.3000113.3M1 P52 F114 V118 L201 A202 A203 D207M1-L205 WeakPolarHBondContact CG-O 3.17Å; M1-L205 PolarHBondContact N-O 2.71Å; P52-L205 HydrophobicContact CB-CD2 4.44Å; P52-L205 HydrophobicContact CG-CD2 3.73Å; F114-L205 HydrophobicContact CD1-CD1 3.89Å; F114-L205 HydrophobicContact CD2-CD1 4.34Å; F114-L205 HydrophobicContact CE1-CD1 3.5Å; F114-L205 HydrophobicContact CE2-CD1 3.98Å; F114-L205 HydrophobicContact CG-CD1 4.3Å; F114-L205 HydrophobicContact CZ-CD1 3.54Å; V118-L205 HydrophobicContact CG1-CD2 4.47Å; V118-L205 HydrophobicContact CG2-CD1 3.84Å; V118-L205 HydrophobicContact CG2-CD2 4.44Å; L201-L205 HydrophobicContact CD2-CD1 3.81Å; L201-L205 HydrophobicContact CG-CD1 3.79Å; L201-L205 HydrophobicContact CG-CG 4.35Å; L201-L205 WeakPolarHBondContact O-CG 3.45Å; L201-L205 PolarHBondContact O-N 3.45Å; L201-L205 VanDerWaalsContact O-N 3.1Å; A202-L205 PolarHBondContact O-N 3.4Å; A203-L205 PolarHBondContact O-N 3.46Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.09Å
206E71.6Confident72.7Confident139 Ų13965.7 Ų65.765%0.6537%0.367SS*.Hα-helixtrans-69.4-23.5-178.4-77.7-177.5177.100114.3A202 A203A202-E206 PolarHBondContact O-N 2.72Å; A203-E206 PolarHBondContact O-N 3.06Å
207D70.3Confident75.4Confident111 Ų11163.1 Ų63.159%0.59434%0.342SS*.SBendtrans-71.5151.3174.7-67.6-43.5000112.7M1 L205M1-D207 PolarHBondContact N-O 3.48Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.09Å
208E71.5Confident77.9Confident119 Ų11961.6 Ų61.656%0.55633%0.326SS*.  trans-68.3149.1172-77.3-171.1-147.200111.7R161 I210R161-E208 VanDerWaalsContact CD-OE2 3.26Å; R161-E208 WeakPolarHBondContact CD-OE2 3.37Å; R161-E208 IonicContact CZ-OE2 2.68Å; R161-E208 IonicContact NE-OE2 3.64Å; R161-E208 IonicContact NH1-OE1 2.88Å; R161-E208 IonicContact NH1-OE2 3.84Å; R161-E208 PolarHBondContact NH1-OE2 3.21Å; E208-I210 HydrophobicContact CB-CD1 4.33Å; E208-I210 HydrophobicContact CB-CG1 4.12Å; E208-I210 PolarHBondContact O-N 3.19Å
209A73.7Confident80Confident11 Ų1158.5 Ų58.59%0.09130%0.304CS..  trans-74.9105.6170.800000109.2M1 P160 R161M1-A209 HydrophobicContact CB-CB 3.96Å; M1-A209 WeakPolarHBondContact O-CB 3.49Å; P160-A209 HydrophobicContact CB-CB 4.16Å; R161-A209 PolarHBondContact N-O 2.88Å
210I83.3Confident81.7Confident89 Ų8961.6 Ų61.646%0.45632%0.318SS..EExtended strand (participates in β ladder)trans-120.1128.6-176.3-62.2176.1000109.7R161 Q163 E208R161-I210 CarbonylContact O-C 3.57Å; R161-I210 VanDerWaalsContact O-CA 3.27Å; R161-I210 WeakPolarHBondContact O-CA 3.33Å; Q163-I210 HydrophobicContact CB-CG2 3.76Å; E208-I210 HydrophobicContact CB-CD1 4.33Å; E208-I210 HydrophobicContact CB-CG1 4.12Å; E208-I210 PolarHBondContact O-N 3.19Å
211N88Confident83Confident8 Ų855.4 Ų55.44%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-99.9144.9170.3-157.143.2000110.7L15 P160 R161 V162 Q163 M213L15-N211 PolarHBondContact N-OD1 3.43Å; L15-N211 PolarHBondContact O-ND2 2.68Å; P160-N211 HydrophobicContact CB-CB 4.18Å; P160-N211 HydrophobicContact CG-CB 4.06Å; R161-N211 PolarHBondContact O-N 3.12Å; V162-N211 HydrophobicContact CG2-CB 4.46Å; Q163-N211 PolarHBondContact N-O 3.42Å; N211-M213 PolarHBondContact ND2-O 3.12Å
212S85Confident83.8Confident83 Ų8356.9 Ų56.958%0.5830%0.302SS*.SBendtrans-80.7-12.6-178.252.10000114.3
213M86.3Confident84.9Confident72 Ų7256.4 Ų56.436%0.35530%0.297SS..SBendtrans-142.7159.3-175.955-175.5-93.700112.4P14 V162 N211P14-M213 HydrophobicContact CB-CG 4.1Å; P14-M213 HydrophobicContact CB-SD 3.69Å; V162-M213 WeakPolarHBondContact CG2-O 3.4Å; N211-M213 PolarHBondContact ND2-O 3.12Å
214D90.1Very high85.8Confident88 Ų8856.4 Ų56.447%0.47129%0.285SS..  trans-60.9141.5164.1-90.232.1000109.5K260D214-K260 IonicContact OD2-NZ 2.66Å
215Y92.1Very high86Confident7 Ų755.6 Ų55.63%0.02728%0.281CS..  trans-134.3157.7-178.368.9-86.7000111.3L15 S16 T159 P160 V162 F217 Y261 Y263L15-Y215 HydrophobicContact CD2-CD2 3.83Å; L15-Y215 HydrophobicContact CD2-CE2 3.84Å; L15-Y215 HydrophobicContact CD2-CG 4.21Å; L15-Y215 HydrophobicContact CG-CD2 4.35Å; L15-Y215 WeakPolarHBondContact O-CB 3.39Å; S16-Y215 WeakPolarHBondContact O-CA 3.43Å; S16-Y215 WeakPolarHBondContact O-CB 3.19Å; T159-Y215 WeakPolarHBondContact CA-OH 3.4Å; P160-Y215 WeakPolarHBondContact CD-OH 3.23Å; P160-Y215 HydrophobicContact CG-CE1 4.01Å; P160-Y215 WeakPolarHBondContact O-CE1 3.24Å; V162-Y215 HydrophobicContact CG2-CD1 3.96Å; V162-Y215 HydrophobicContact CG2-CE1 4.02Å; Y215-F217 HydrophobicContact CD2-CB 4.38Å; Y215-F217 HydrophobicContact CE2-CB 3.87Å; Y215-F217 AromaticContact CE2-CD2 4Å; Y215-F217 HydrophobicContact CE2-CD2 4Å; Y215-F217 HydrophobicContact CE2-CG 4.33Å; Y215-Y261 WeakPolarHBondContact OH-CE1 3.27Å; Y215-Y263 AromaticContact CD1-CD1 3.86Å; Y215-Y263 HydrophobicContact CD1-CD1 3.86Å; Y215-Y263 AromaticContact CD1-CE1 3.73Å; Y215-Y263 HydrophobicContact CD1-CE1 3.73Å; Y215-Y263 AromaticContact CE1-CD1 3.39Å; Y215-Y263 HydrophobicContact CE1-CD1 3.39Å; Y215-Y263 AromaticContact CE1-CE1 3.68Å; Y215-Y263 HydrophobicContact CE1-CE1 3.68Å; Y215-Y263 HydrophobicContact CE2-CE1 4.46Å; Y215-Y263 HydrophobicContact CG-CE1 4.15Å; Y215-Y263 AromaticContact CZ-CD1 3.85Å; Y215-Y263 VanDerWaalsContact O-CE1 3.29Å; Y215-Y263 WeakPolarHBondContact O-CE1 3.36Å; Y215-Y263 PolarHBondContact O-OH 3.35Å
216E94.1Very high85.7Confident116 Ų11657.6 Ų57.654%0.54230%0.296SS..EExtended strand (participates in β ladder)trans-76.7132.4173.9-170.6172.5144.800110.3S16 V17 S18 N218S16-E216 PolarHBondContact O-N 3.16Å; V17-E216 CarbonylContact C-O 3.53Å; V17-E216 WeakPolarHBondContact CA-O 3.38Å; V17-E216 HydrophobicContact CG1-CB 4.38Å; V17-E216 HydrophobicContact CG2-CB 4.39Å; S18-E216 PolarHBondContact N-O 3.35Å; E216-N218 PolarHBondContact OE1-ND2 2.91Å
217F95.2Very high85.7Confident20 Ų2052.4 Ų52.49%0.08827%0.271CS..EExtended strand (participates in β ladder)trans-131.5118.3-179.6-178.3-102000111.5S18 I20 T159 Y215 F219 L257 Y261 V267S18-F217 WeakPolarHBondContact O-CA 3.31Å; S18-F217 WeakPolarHBondContact O-CD2 3.37Å; I20-F217 HydrophobicContact CD1-CE2 3.69Å; I20-F217 HydrophobicContact CD1-CZ 3.86Å; I20-F217 HydrophobicContact CG1-CE2 3.97Å; I20-F217 HydrophobicContact CG1-CZ 4.34Å; T159-F217 HydrophobicContact CG2-CD2 4.27Å; T159-F217 HydrophobicContact CG2-CE1 4.39Å; T159-F217 HydrophobicContact CG2-CE2 3.45Å; T159-F217 VanDerWaalsContact CG2-CE2 3.45Å; T159-F217 HydrophobicContact CG2-CZ 3.51Å; Y215-F217 HydrophobicContact CD2-CB 4.38Å; Y215-F217 HydrophobicContact CE2-CB 3.87Å; Y215-F217 AromaticContact CE2-CD2 4Å; Y215-F217 HydrophobicContact CE2-CD2 4Å; Y215-F217 HydrophobicContact CE2-CG 4.33Å; F217-F219 HydrophobicContact CE1-CB 3.74Å; F217-F219 HydrophobicContact CZ-CB 4.05Å; F217-F219 HydrophobicContact CZ-CD2 4.43Å; F217-L257 HydrophobicContact CD1-CD1 4.11Å; F217-L257 HydrophobicContact CE1-CD1 3.97Å; F217-Y261 HydrophobicContact CB-CD1 3.92Å; F217-Y261 HydrophobicContact CB-CG 4.26Å; F217-Y261 AromaticContact CD1-CD1 3.81Å; F217-Y261 HydrophobicContact CD1-CD1 3.81Å; F217-Y261 AromaticContact CD1-CD2 3.86Å; F217-Y261 HydrophobicContact CD1-CD2 3.86Å; F217-Y261 HydrophobicContact CD1-CE1 4.46Å; F217-Y261 AromaticContact CD1-CG 3.48Å; F217-Y261 HydrophobicContact CD1-CG 3.48Å; F217-Y261 VanDerWaalsContact CD1-CG 3.48Å; F217-Y261 AromaticContact CE1-CD2 3.95Å; F217-Y261 HydrophobicContact CE1-CD2 3.95Å; F217-Y261 HydrophobicContact CE1-CE2 4.34Å; F217-Y261 HydrophobicContact CE1-CG 4.07Å; F217-Y261 AromaticContact CG-CD1 3.88Å; F217-Y261 HydrophobicContact CG-CD1 3.88Å; F217-Y261 HydrophobicContact CG-CE1 4.43Å; F217-Y261 HydrophobicContact CG-CG 4.04Å; F217-V267 HydrophobicContact CE1-CG2 3.84Å; F217-V267 HydrophobicContact CZ-CG2 4.08Å
218N94.8Very high86Confident70 Ų7052.8 Ų52.837%0.37427%0.272SS..EExtended strand (participates in β ladder)trans-115134.4177.3-65.3-57.5000109.8S18 D19 I20 E216S18-N218 PolarHBondContact O-N 3.4Å; S18-N218 VanDerWaalsContact O-N 3.09Å; D19-N218 WeakPolarHBondContact CA-O 3.4Å; D19-N218 HydrophobicContact CB-CB 4.28Å; D19-N218 WeakPolarHBondContact OD1-CB 3.22Å; D19-N218 PolarHBondContact OD1-ND2 3.34Å; I20-N218 PolarHBondContact N-O 2.82Å; E216-N218 PolarHBondContact OE1-ND2 2.91Å
219F95.3Very high86.6Confident17 Ų1748.6 Ų48.68%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-134.8125.9179.8176.5-89.3000111.1I20 F217 L221 L257 V267 I269I20-F219 HydrophobicContact CB-CD2 4.05Å; I20-F219 HydrophobicContact CG2-CD2 4.07Å; I20-F219 HydrophobicContact CG2-CE2 4.25Å; I20-F219 WeakPolarHBondContact O-CA 3.31Å; F217-F219 HydrophobicContact CE1-CB 3.74Å; F217-F219 HydrophobicContact CZ-CB 4.05Å; F217-F219 HydrophobicContact CZ-CD2 4.43Å; F219-L221 HydrophobicContact CE1-CB 3.83Å; F219-L221 HydrophobicContact CZ-CB 3.87Å; F219-L221 HydrophobicContact CZ-CD2 4.42Å; F219-L257 HydrophobicContact CB-CD1 4.47Å; F219-L257 HydrophobicContact CB-CG 4.27Å; F219-V267 HydrophobicContact CD1-CG1 4.36Å; F219-V267 HydrophobicContact CD2-CB 4.49Å; F219-V267 HydrophobicContact CD2-CG1 4.37Å; F219-V267 HydrophobicContact CE1-CG1 4.12Å; F219-V267 HydrophobicContact CE2-CB 4.42Å; F219-V267 HydrophobicContact CE2-CG1 4.12Å; F219-V267 HydrophobicContact CG-CG1 4.49Å; F219-V267 HydrophobicContact CZ-CG1 3.99Å; F219-I269 HydrophobicContact CE1-CD1 4.37Å; F219-I269 HydrophobicContact CE1-CG1 4.27Å; F219-I269 HydrophobicContact CZ-CG1 4.1Å
220Q94Very high87.2Confident90 Ų9051.7 Ų51.742%0.42128%0.278SS..EExtended strand (participates in β ladder)trans-136.5127176.4-172.8-177.80.600110.7I20 T21 C22 V254 I255I20-Q220 PolarHBondContact O-N 2.91Å; T21-Q220 CarbonylContact C-O 3.59Å; T21-Q220 WeakPolarHBondContact CA-O 3.47Å; T21-Q220 HydrophobicContact CG2-CB 4.49Å; C22-Q220 PolarHBondContact N-O 3.31Å; Q220-V254 HydrophobicContact CG-CG1 3.73Å; Q220-I255 WeakPolarHBondContact CA-O 3.38Å
221L94.1Very high87.4Confident0 Ų048.8 Ų48.80%027%0.271CS..EExtended strand (participates in β ladder)trans-124.3115.8178.6161.858.5000110.3C22 V24 F219 I223 V254 I255 I269C22-L221 CarbonylContact O-C 3.57Å; C22-L221 WeakPolarHBondContact O-CA 3.24Å; V24-L221 HydrophobicContact CB-CD1 4.28Å; V24-L221 HydrophobicContact CG2-CD1 3.59Å; F219-L221 HydrophobicContact CE1-CB 3.83Å; F219-L221 HydrophobicContact CZ-CB 3.87Å; F219-L221 HydrophobicContact CZ-CD2 4.42Å; L221-I223 HydrophobicContact CD1-CG1 4.16Å; L221-I223 HydrophobicContact CD2-CD1 4.48Å; L221-I223 HydrophobicContact CD2-CG1 4.34Å; L221-I223 HydrophobicContact CG-CG1 4.04Å; L221-V254 CarbonylContact O-C 3.58Å; L221-V254 WeakPolarHBondContact O-CA 3.37Å; L221-I255 HydrophobicContact CB-CB 4.23Å; L221-I255 HydrophobicContact CG-CB 4.46Å; L221-I255 PolarHBondContact N-O 3.31Å; L221-I255 PolarHBondContact O-N 3.22Å; L221-I269 HydrophobicContact CD2-CB 4.17Å; L221-I269 HydrophobicContact CD2-CG1 4.01Å; L221-I269 HydrophobicContact CD2-CG2 3.94Å
222E91.6Very high87.6Confident32 Ų3250.4 Ų50.415%0.1528%0.281CS..EExtended strand (participates in β ladder)trans-94.1117.7169.9-164-165.2156.200111.2C22 C23 V24 R224 S252 V254 W857C22-E222 PolarHBondContact O-N 3.22Å; C23-E222 CarbonylContact C-O 3.3Å; C23-E222 VanDerWaalsContact CA-O 3.22Å; C23-E222 WeakPolarHBondContact CA-O 3.42Å; V24-E222 PolarHBondContact N-O 2.96Å; E222-R224 HydrophobicContact CG-CG 4.22Å; E222-R224 WeakPolarHBondContact OE1-CG 3.24Å; E222-R224 IonicContact OE1-CZ 3.13Å; E222-R224 IonicContact OE1-NE 2.73Å; E222-R224 PolarHBondContact OE1-NE 2.82Å; E222-R224 IonicContact OE1-NH2 3.67Å; E222-R224 IonicContact OE2-CZ 3.43Å; E222-R224 VanDerWaalsContact OE2-CZ 3.3Å; E222-R224 IonicContact OE2-NE 2.7Å; E222-R224 PolarHBondContact OE2-NE 2.78Å; E222-R224 VanDerWaalsContact OE2-NE 3.09Å; E222-R224 IonicContact OE2-NH2 2.79Å; E222-R224 PolarHBondContact OE2-NH2 2.89Å; E222-S252 VanDerWaalsContact CD-OG 3.28Å; E222-S252 VanDerWaalsContact CG-OG 3.23Å; E222-S252 WeakPolarHBondContact CG-OG 3.37Å; E222-S252 PolarHBondContact OE1-OG 3.37Å; E222-V254 HydrophobicContact CG-CG2 4.24Å; E222-W857 HydrophobicContact CB-CZ3 4.26Å; E222-W857 WeakPolarHBondContact OE2-CZ3 3.3Å
223I90.9Very high88.1Confident4 Ų450.9 Ų50.92%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-95.3105.8174.8-55.2171000108.8L221 A225 L229 V232 S252 V253 I255 I271L221-I223 HydrophobicContact CD1-CG1 4.16Å; L221-I223 HydrophobicContact CD2-CD1 4.48Å; L221-I223 HydrophobicContact CD2-CG1 4.34Å; L221-I223 HydrophobicContact CG-CG1 4.04Å; I223-A225 HydrophobicContact CG2-CB 4.4Å; I223-L229 HydrophobicContact CB-CD1 4.44Å; I223-L229 HydrophobicContact CD1-CD1 4.45Å; I223-L229 HydrophobicContact CG2-CD1 3.92Å; I223-L229 HydrophobicContact CG2-CD2 4.31Å; I223-V232 HydrophobicContact CD1-CG1 4.23Å; I223-V232 HydrophobicContact CD1-CG2 3.78Å; I223-S252 WeakPolarHBondContact O-CA 3.24Å; I223-V253 PolarHBondContact N-O 3.39Å; I223-V253 PolarHBondContact O-N 3.31Å; I223-I255 HydrophobicContact CD1-CD1 3.56Å; I223-I255 HydrophobicContact CD1-CG1 4.39Å; I223-I271 HydrophobicContact CD1-CD1 3.57Å; I223-I271 HydrophobicContact CD1-CG1 3.71Å; I223-I271 HydrophobicContact CD1-CG2 4.29Å; I223-I271 HydrophobicContact CG1-CD1 3.84Å; I223-I271 HydrophobicContact CG2-CD1 4.42Å; I223-I271 HydrophobicContact CG2-CG2 4.4Å
224R87.8Confident88.5Confident58 Ų5848.6 Ų48.622%0.21927%0.265CS..EExtended strand (participates in β ladder)trans-97.387.7175-68.8-178.1-174.2166.611.7109.7V24 R25 E222 T251V24-R224 PolarHBondContact O-N 3.41Å; R25-R224 HydrophobicContact CG-CB 3.7Å; E222-R224 HydrophobicContact CG-CG 4.22Å; E222-R224 WeakPolarHBondContact OE1-CG 3.24Å; E222-R224 IonicContact OE1-CZ 3.13Å; E222-R224 IonicContact OE1-NE 2.73Å; E222-R224 PolarHBondContact OE1-NE 2.82Å; E222-R224 IonicContact OE1-NH2 3.67Å; E222-R224 IonicContact OE2-CZ 3.43Å; E222-R224 VanDerWaalsContact OE2-CZ 3.3Å; E222-R224 IonicContact OE2-NE 2.7Å; E222-R224 PolarHBondContact OE2-NE 2.78Å; E222-R224 VanDerWaalsContact OE2-NE 3.09Å; E222-R224 IonicContact OE2-NH2 2.79Å; E222-R224 PolarHBondContact OE2-NH2 2.89Å; R224-T251 CarbonylContact C-O 3.53Å; R224-T251 WeakPolarHBondContact CA-O 3.29Å
225A78.9Confident88.6Confident7 Ų748.3 Ų48.36%0.05827%0.268CS..  trans-94.3136.7-175.100000112.5I223 Y227 L229 T251I223-A225 HydrophobicContact CG2-CB 4.4Å; A225-Y227 VanDerWaalsContact C-N 3.27Å; A225-Y227 HydrophobicContact CB-CD2 4.12Å; A225-Y227 HydrophobicContact CB-CE2 4.1Å; A225-Y227 WeakPolarHBondContact CB-O 3.28Å; A225-L229 HydrophobicContact CB-CD2 3.85Å; A225-L229 HydrophobicContact CB-CG 4.22Å; A225-T251 PolarHBondContact N-O 3.48Å
226P70.3Confident88.6Confident68 Ų6849.6 Ų49.644%0.44228%0.278SS..SBendtrans-79.3-11.317234.6-36.3000113L282P226-L282 HydrophobicContact CB-CD2 3.91Å; P226-L282 HydrophobicContact CG-CD1 4.43Å; P226-L282 HydrophobicContact CG-CD2 3.9Å; P226-L282 HydrophobicContact CG-CG 4.31Å
227Y72.3Confident88.5Confident31 Ų3145.1 Ų45.112%0.12226%0.257CS..SBendtrans-123.8167.8-179.344.2-117.4000110.2A225 L229 P273 H280A225-Y227 VanDerWaalsContact C-N 3.27Å; A225-Y227 HydrophobicContact CB-CD2 4.12Å; A225-Y227 HydrophobicContact CB-CE2 4.1Å; A225-Y227 WeakPolarHBondContact CB-O 3.28Å; Y227-L229 HydrophobicContact CD2-CD2 4.45Å; Y227-L229 HydrophobicContact CE2-CD2 4.11Å; Y227-P273 HydrophobicContact CD2-CB 4.05Å; Y227-P273 HydrophobicContact CE1-CB 4.39Å; Y227-P273 HydrophobicContact CE2-CB 3.54Å; Y227-P273 HydrophobicContact CE2-CG 3.92Å; Y227-H280 AromaticContact CD1-CE1 3.87Å; Y227-H280 AromaticContact CD1-ND1 3.94Å; Y227-H280 AromaticContact CD1-NE2 3.89Å
228L76.2Confident88.4Confident119 Ų11946.5 Ų46.562%0.62327%0.272SS*.  trans-67.8138.8172-170.964.9000110.3S274L228-S274 VanDerWaalsContact O-CB 3.27Å; L228-S274 WeakPolarHBondContact O-CB 3.2Å; L228-S274 PolarHBondContact O-N 3.37Å; L228-S274 PolarHBondContact O-OG 3.28Å
229L84.6Confident88.4Confident31 Ų3145.2 Ų45.216%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-81.3130.3170.9-60.8178.3000109.3I223 A225 Y227 G231 V232 V253 I271I223-L229 HydrophobicContact CB-CD1 4.44Å; I223-L229 HydrophobicContact CD1-CD1 4.45Å; I223-L229 HydrophobicContact CG2-CD1 3.92Å; I223-L229 HydrophobicContact CG2-CD2 4.31Å; A225-L229 HydrophobicContact CB-CD2 3.85Å; A225-L229 HydrophobicContact CB-CG 4.22Å; Y227-L229 HydrophobicContact CD2-CD2 4.45Å; Y227-L229 HydrophobicContact CE2-CD2 4.11Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-V232 HydrophobicContact CD1-CG2 4.08Å; L229-V253 HydrophobicContact CD1-CG2 4.36Å; L229-I271 HydrophobicContact CD2-CG2 3.82Å
230A86.5Confident88.3Confident75 Ų7551.1 Ų51.162%0.6229%0.287SS*.EExtended strand (participates in β ladder)trans-74-26.6170.500000111.8Y272A230-Y272 PolarHBondContact N-O 3.43Å
231G88.4Confident88.1Confident29 Ų2950.1 Ų50.130%0.29929%0.294SS..EExtended strand (participates in β ladder)trans170.2170.417400000111.8L229 Y272L229-G231 VanDerWaalsContact C-N 3.31Å; G231-Y272 PolarHBondContact N-O 3.04Å; G231-Y272 PolarHBondContact O-N 2.91Å
232V92.1Very high87.7Confident41 Ų4154.1 Ų54.125%0.24832%0.316CS..EExtended strand (participates in β ladder)trans-137.5136.3167.8-168.60000107.9I223 L229 I255 I269 L270 I271I223-V232 HydrophobicContact CD1-CG1 4.23Å; I223-V232 HydrophobicContact CD1-CG2 3.78Å; L229-V232 HydrophobicContact CD1-CG2 4.08Å; V232-I255 HydrophobicContact CB-CD1 3.95Å; V232-I255 HydrophobicContact CG1-CD1 3.47Å; V232-I255 VanDerWaalsContact CG1-CD1 3.47Å; V232-I255 HydrophobicContact CG2-CD1 4.18Å; V232-I269 HydrophobicContact CG1-CG2 3.51Å; V232-L270 WeakPolarHBondContact CA-O 3.39Å; V232-L270 WeakPolarHBondContact CG1-O 3.39Å; V232-I271 HydrophobicContact CG1-CG1 3.96Å; V232-I271 HydrophobicContact CG2-CG2 4.29Å
233E93.9Very high87Confident93 Ų9355.6 Ų55.644%0.43533%0.333SS..EExtended strand (participates in β ladder)trans-130.9168.617671.6-174.8-179.900111.1L270 Y272E233-L270 HydrophobicContact CG-CB 3.85Å; E233-L270 HydrophobicContact CG-CD1 4.38Å; E233-L270 PolarHBondContact N-O 2.83Å; E233-L270 PolarHBondContact O-N 2.95Å; E233-Y272 HydrophobicContact CG-CE2 3.83Å; E233-Y272 WeakPolarHBondContact OE1-CE2 2.77Å; E233-Y272 PolarHBondContact OE1-OH 2.86Å
234S94.5Very high86Confident25 Ų2559.7 Ų59.718%0.17536%0.355CS..  trans-135.8113.7174.4162.10000107.9S236 H237 E268S234-S236 PolarHBondContact O-N 2.94Å; S234-S236 PolarHBondContact OG-N 2.95Å; S234-S236 PolarHBondContact OG-OG 2.55Å; S234-H237 WeakPolarHBondContact CB-O 3.48Å; S234-H237 PolarHBondContact OG-N 2.89Å; S234-H237 PolarHBondContact OG-O 3.47Å; S234-E268 PolarHBondContact OG-O 3.03Å
235P92.5Very high84.9Confident82 Ų8263 Ų6353%0.53238%0.384SS..SBendtrans-76.8-3.4173.930.9-35.2000113.1E268 L270P235-E268 WeakPolarHBondContact CD-O 3.13Å; P235-E268 HydrophobicContact CG-CB 4.19Å; P235-E268 HydrophobicContact CG-CG 3.88Å; P235-E268 VanDerWaalsContact CG-OE1 3.27Å; P235-E268 WeakPolarHBondContact CG-OE1 3.47Å; P235-L270 HydrophobicContact CG-CD1 4.1Å; P235-L270 HydrophobicContact CG-CG 4.33Å
236S92Very high84.2Confident34 Ų3469.8 Ų69.824%0.23842%0.419CS..SBendtrans-102.9-55.8-174.3650000112.8S234 E268S234-S236 PolarHBondContact O-N 2.94Å; S234-S236 PolarHBondContact OG-N 2.95Å; S234-S236 PolarHBondContact OG-OG 2.55Å; S236-E268 PolarHBondContact OG-N 3.47Å; S236-E268 PolarHBondContact OG-O 2.82Å; S236-E268 VanDerWaalsContact OG-O 3.11Å
237H93.2Very high83.8Confident21 Ų2168.7 Ų68.710%0.09742%0.415CS..SBendtrans-134155.3-172-61.778.4000111.5S234 L257 Y261 T262 C265S234-H237 WeakPolarHBondContact CB-O 3.48Å; S234-H237 PolarHBondContact OG-N 2.89Å; S234-H237 PolarHBondContact OG-O 3.47Å; H237-L257 HydrophobicContact CB-CD2 3.79Å; H237-Y261 AromaticContact CD2-CD2 3.84Å; H237-Y261 AromaticContact CE1-CD2 3.86Å; H237-Y261 AromaticContact CE1-CE2 3.51Å; H237-Y261 AromaticContact NE2-CD2 3.26Å; H237-Y261 VanDerWaalsContact NE2-CD2 3.26Å; H237-Y261 WeakPolarHBondContact NE2-CD2 3.21Å; H237-Y261 AromaticContact NE2-CE2 3.28Å; H237-Y261 VanDerWaalsContact NE2-CE2 3.28Å; H237-Y261 WeakPolarHBondContact NE2-CE2 3.07Å; H237-T262 PolarHBondContact NE2-OG1 3.35Å; H237-C265 PolarHBondContact CE1-O 3.23Å
238A93.1Very high82.9Confident50 Ų5079.5 Ų79.541%0.41346%0.456SS..  trans-65.9137.5168.400000110.5A258 D259A238-A258 HydrophobicContact CB-CB 3.84Å; A238-A258 PolarHBondContact O-N 3.34Å; A238-D259 WeakPolarHBondContact CB-OD2 3.47Å
239I94.4Very high82.1Confident43 Ų4377.3 Ų77.322%0.22145%0.451CS..EExtended strand (participates in β ladder)trans-125.8153.6-175.956.3168.4000112.3I255 T256 L257 I269I239-I255 HydrophobicContact CB-CG2 4.05Å; I239-I255 HydrophobicContact CD1-CG2 4.22Å; I239-I255 HydrophobicContact CG2-CG2 4.13Å; I239-T256 CarbonylContact C-O 3.57Å; I239-T256 WeakPolarHBondContact CA-O 3.34Å; I239-L257 HydrophobicContact CG2-CD2 4.33Å; I239-I269 HydrophobicContact CG2-CD1 3.88Å
240R92.4Very high81Confident140 Ų14078.5 Ų78.553%0.52847%0.465SS..EExtended strand (participates in β ladder)trans-109.6142.2165.1-58.4178.5-169.3169.210.7108.1I255 T256 A258R240-I255 VanDerWaalsContact O-CA 3.3Å; R240-I255 WeakPolarHBondContact O-CA 3.11Å; R240-T256 PolarHBondContact N-O 2.83Å; R240-T256 PolarHBondContact O-N 3.08Å; R240-T256 VanDerWaalsContact O-N 3.07Å; R240-A258 HydrophobicContact CG-CB 3.77Å; R240-A258 PolarHBondContact NH2-O 3.14Å
241A89.6Confident80.1Confident69 Ų6978.3 Ų78.357%0.5746%0.456SS*.EExtended strand (participates in β ladder)trans-12299.6176.500000107.8V253 V254 I255A241-V253 HydrophobicContact CB-CG1 4.06Å; A241-V254 CarbonylContact C-O 3.6Å; A241-V254 WeakPolarHBondContact CA-O 3.36Å; A241-I255 HydrophobicContact CB-CG1 4.32Å
242D85.9Confident79.7Confident85 Ų8578.5 Ų78.546%0.45545%0.453SS..EExtended strand (participates in β ladder)trans-99138.7-177.7-61.5-62000109.4V254D242-V254 PolarHBondContact N-O 3.32Å; D242-V254 PolarHBondContact O-N 2.89Å
243A76.8Confident79.4Confident63 Ų6377.6 Ų77.652%0.52145%0.447SS..  trans-112.1146.7172.500000109.3P245A243-P245 WeakPolarHBondContact O-CD 3.49Å
244D70.4Confident79.3Confident89 Ų8975 Ų7548%0.47644%0.437SS..  trans-60119173.1167.921000109.6L246 A247D244-L246 PolarHBondContact O-N 3.2Å; D244-L246 VanDerWaalsContact O-N 3.08Å; D244-L246 WeakPolarHBondContact OD1-CB 3.45Å; D244-L246 PolarHBondContact OD1-N 3.36Å; D244-A247 HydrophobicContact CB-CB 3.98Å; D244-A247 WeakPolarHBondContact O-CB 3.38Å; D244-A247 PolarHBondContact O-N 2.97Å; D244-A247 PolarHBondContact OD2-N 3.27Å
245P65.1Low79.2Confident129 Ų12973.8 Ų73.884%0.83843%0.429SS*.THydrogen-bonded Turntrans-66.3-9-179.728.7-36.4000113.8A243A243-P245 WeakPolarHBondContact O-CD 3.49Å
246L63.3Low79.3Confident148 Ų14871.8 Ų71.878%0.77542%0.415SS*.THydrogen-bonded Turntrans-95.1-11.8172.9-55.8177.4000113.1D244 R248D244-L246 PolarHBondContact O-N 3.2Å; D244-L246 VanDerWaalsContact O-N 3.08Å; D244-L246 WeakPolarHBondContact OD1-CB 3.45Å; D244-L246 PolarHBondContact OD1-N 3.36Å; L246-R248 PolarHBondContact O-N 3.05Å
247A63.3Low79.4Confident45 Ų4571.4 Ų71.437%0.37241%0.411SS..  trans-70.8128.4-177.700000111.7D244 S249D244-A247 HydrophobicContact CB-CB 3.98Å; D244-A247 WeakPolarHBondContact O-CB 3.38Å; D244-A247 PolarHBondContact O-N 2.97Å; D244-A247 PolarHBondContact OD2-N 3.27Å; A247-S249 PolarHBondContact O-N 3.33Å
248R52.6Low79.3Confident259 Ų25971.4 Ų71.498%0.97741%0.414SS*.SBendtrans-79-1.1178.1-61.9-176.1-178.41801.3113.9L246L246-R248 PolarHBondContact O-N 3.05Å
249S59.3Low79.2Confident73 Ų7374.6 Ų74.651%0.5142%0.424SS..SBendtrans-157.5147.6-179.7-169.80000109.9A247 T251A247-S249 PolarHBondContact O-N 3.33Å; S249-T251 PolarHBondContact O-N 2.79Å
250A61.3Low78.8Confident56 Ų5679.5 Ų79.546%0.46344%0.444SS..THydrogen-bonded Turntrans-79.237.3178.300000113.2
251T67Low78.7Confident70 Ų7073.2 Ų73.243%0.42942%0.42SS..THydrogen-bonded Turntrans-81.5-14.6179.743.10000113.6R224 A225 S249R224-T251 CarbonylContact C-O 3.53Å; R224-T251 WeakPolarHBondContact CA-O 3.29Å; A225-T251 PolarHBondContact N-O 3.48Å; S249-T251 PolarHBondContact O-N 2.79Å
252S80.4Confident78.5Confident34 Ų3473 Ų7324%0.23841%0.412CS..EExtended strand (participates in β ladder)trans-123.8134165-179.60000109.5E222 I223E222-S252 VanDerWaalsContact CD-OG 3.28Å; E222-S252 VanDerWaalsContact CG-OG 3.23Å; E222-S252 WeakPolarHBondContact CG-OG 3.37Å; E222-S252 PolarHBondContact OE1-OG 3.37Å; I223-S252 WeakPolarHBondContact O-CA 3.24Å
253V87.3Confident78.6Confident21 Ų2169.4 Ų69.413%0.12739%0.392CS..EExtended strand (participates in β ladder)trans-134.8130.1174.3179.60000107.9I223 L229 A241 I255I223-V253 PolarHBondContact N-O 3.39Å; I223-V253 PolarHBondContact O-N 3.31Å; L229-V253 HydrophobicContact CD1-CG2 4.36Å; A241-V253 HydrophobicContact CB-CG1 4.06Å; V253-I255 HydrophobicContact CG1-CG1 4.37Å
254V90.8Very high79Confident38 Ų3870 Ų7023%0.2339%0.387CS..EExtended strand (participates in β ladder)trans-98.4130.1176.1-179.30000109Q220 L221 E222 A241 D242 T256Q220-V254 HydrophobicContact CG-CG1 3.73Å; L221-V254 CarbonylContact O-C 3.58Å; L221-V254 WeakPolarHBondContact O-CA 3.37Å; E222-V254 HydrophobicContact CG-CG2 4.24Å; A241-V254 CarbonylContact C-O 3.6Å; A241-V254 WeakPolarHBondContact CA-O 3.36Å; D242-V254 PolarHBondContact N-O 3.32Å; D242-V254 PolarHBondContact O-N 2.89Å; V254-T256 HydrophobicContact CG1-CG2 4.43Å
255I93.3Very high79.8Confident0 Ų067.7 Ų67.70%038%0.377CS..EExtended strand (participates in β ladder)trans-113.9131.7178.7-63.1-175.2000109.8Q220 L221 I223 V232 I239 R240 A241 V253 I269Q220-I255 WeakPolarHBondContact CA-O 3.38Å; L221-I255 HydrophobicContact CB-CB 4.23Å; L221-I255 HydrophobicContact CG-CB 4.46Å; L221-I255 PolarHBondContact N-O 3.31Å; L221-I255 PolarHBondContact O-N 3.22Å; I223-I255 HydrophobicContact CD1-CD1 3.56Å; I223-I255 HydrophobicContact CD1-CG1 4.39Å; V232-I255 HydrophobicContact CB-CD1 3.95Å; V232-I255 HydrophobicContact CG1-CD1 3.47Å; V232-I255 VanDerWaalsContact CG1-CD1 3.47Å; V232-I255 HydrophobicContact CG2-CD1 4.18Å; I239-I255 HydrophobicContact CB-CG2 4.05Å; I239-I255 HydrophobicContact CD1-CG2 4.22Å; I239-I255 HydrophobicContact CG2-CG2 4.13Å; R240-I255 VanDerWaalsContact O-CA 3.3Å; R240-I255 WeakPolarHBondContact O-CA 3.11Å; A241-I255 HydrophobicContact CB-CG1 4.32Å; V253-I255 HydrophobicContact CG1-CG1 4.37Å; I255-I269 HydrophobicContact CD1-CG2 4.49Å; I255-I269 HydrophobicContact CG2-CD1 4.49Å
256T94.4Very high81Confident40 Ų4063.8 Ų63.825%0.24535%0.352CS..EExtended strand (participates in β ladder)trans-131.7163.5176.459.40000110.1I239 R240 V254I239-T256 CarbonylContact C-O 3.57Å; I239-T256 WeakPolarHBondContact CA-O 3.34Å; R240-T256 PolarHBondContact N-O 2.83Å; R240-T256 PolarHBondContact O-N 3.08Å; R240-T256 VanDerWaalsContact O-N 3.07Å; V254-T256 HydrophobicContact CG1-CG2 4.43Å
257L93.4Very high82.4Confident27 Ų2756.9 Ų56.914%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-72.1137.9172.9-63.3-175.9000110.8F217 F219 H237 I239 Y261 V267F217-L257 HydrophobicContact CD1-CD1 4.11Å; F217-L257 HydrophobicContact CE1-CD1 3.97Å; F219-L257 HydrophobicContact CB-CD1 4.47Å; F219-L257 HydrophobicContact CB-CG 4.27Å; H237-L257 HydrophobicContact CB-CD2 3.79Å; I239-L257 HydrophobicContact CG2-CD2 4.33Å; L257-Y261 HydrophobicContact CD1-CD2 4.13Å; L257-V267 HydrophobicContact CD1-CG2 4.44Å; L257-V267 HydrophobicContact CD2-CG1 4.28Å; L257-V267 HydrophobicContact CD2-CG2 4.38Å
258A90.9Very high83.9Confident20 Ų2057 Ų5717%0.16531%0.308CS..SBendtrans-80.6-28.3179.300000113.5A238 R240A238-A258 HydrophobicContact CB-CB 3.84Å; A238-A258 PolarHBondContact O-N 3.34Å; R240-A258 HydrophobicContact CG-CB 3.77Å; R240-A258 PolarHBondContact NH2-O 3.14Å
259D90.7Very high85.9Confident117 Ų11744.7 Ų44.763%0.62626%0.262SS*.SBendtrans-126.8166.8-177.2-64.1-52.5000110A238 Y261A238-D259 WeakPolarHBondContact CB-OD2 3.47Å; D259-Y261 PolarHBondContact O-N 2.86Å
260K87.6Confident87.6Confident146 Ų14641.7 Ų41.764%0.63524%0.24SC*.  trans-63.1132.7174.3-168.9-168.8174-166.10109.7D214 Y263D214-K260 IonicContact OD2-NZ 2.66Å; K260-Y263 WeakPolarHBondContact CE-OH 3.49Å; K260-Y263 PolarHBondContact NZ-OH 3.36Å
261Y89.3Confident89.1Confident8 Ų839.1 Ų39.13%0.03122%0.218CC..  trans-52.4137.7174.1-177.3-112.6000112.7T159 Y215 F217 H237 L257 D259 Y263 C265 V267T159-Y261 WeakPolarHBondContact CB-OH 3.32Å; T159-Y261 HydrophobicContact CG2-CE1 4.42Å; T159-Y261 HydrophobicContact CG2-CE2 4.41Å; Y215-Y261 WeakPolarHBondContact OH-CE1 3.27Å; F217-Y261 HydrophobicContact CB-CD1 3.92Å; F217-Y261 HydrophobicContact CB-CG 4.26Å; F217-Y261 AromaticContact CD1-CD1 3.81Å; F217-Y261 HydrophobicContact CD1-CD1 3.81Å; F217-Y261 AromaticContact CD1-CD2 3.86Å; F217-Y261 HydrophobicContact CD1-CD2 3.86Å; F217-Y261 HydrophobicContact CD1-CE1 4.46Å; F217-Y261 AromaticContact CD1-CG 3.48Å; F217-Y261 HydrophobicContact CD1-CG 3.48Å; F217-Y261 VanDerWaalsContact CD1-CG 3.48Å; F217-Y261 AromaticContact CE1-CD2 3.95Å; F217-Y261 HydrophobicContact CE1-CD2 3.95Å; F217-Y261 HydrophobicContact CE1-CE2 4.34Å; F217-Y261 HydrophobicContact CE1-CG 4.07Å; F217-Y261 AromaticContact CG-CD1 3.88Å; F217-Y261 HydrophobicContact CG-CD1 3.88Å; F217-Y261 HydrophobicContact CG-CE1 4.43Å; F217-Y261 HydrophobicContact CG-CG 4.04Å; H237-Y261 AromaticContact CD2-CD2 3.84Å; H237-Y261 AromaticContact CE1-CD2 3.86Å; H237-Y261 AromaticContact CE1-CE2 3.51Å; H237-Y261 AromaticContact NE2-CD2 3.26Å; H237-Y261 VanDerWaalsContact NE2-CD2 3.26Å; H237-Y261 WeakPolarHBondContact NE2-CD2 3.21Å; H237-Y261 AromaticContact NE2-CE2 3.28Å; H237-Y261 VanDerWaalsContact NE2-CE2 3.28Å; H237-Y261 WeakPolarHBondContact NE2-CE2 3.07Å; L257-Y261 HydrophobicContact CD1-CD2 4.13Å; D259-Y261 PolarHBondContact O-N 2.86Å; Y261-Y263 AromaticContact CD1-CD1 3.48Å; Y261-Y263 HydrophobicContact CD1-CD1 3.48Å; Y261-Y263 VanDerWaalsContact CD1-CD1 3.48Å; Y261-Y263 AromaticContact CD1-CE1 3.85Å; Y261-Y263 HydrophobicContact CD1-CE1 3.85Å; Y261-Y263 HydrophobicContact CD1-CG 4.12Å; Y261-Y263 AromaticContact CE1-CD1 3.65Å; Y261-Y263 HydrophobicContact CE1-CD1 3.65Å; Y261-Y263 HydrophobicContact CE1-CE1 4.41Å; Y261-Y263 HydrophobicContact CE1-CG 4.22Å; Y261-C265 WeakPolarHBondContact CE2-O 3.32Å; Y261-C265 PolarHBondContact OH-O 3.38Å; Y261-V267 HydrophobicContact CD2-CG2 4.23Å; Y261-V267 HydrophobicContact CE2-CG2 4Å
262T85.8Confident90.2Very high64 Ų6438.7 Ų38.739%0.39321%0.209SC..  trans-99.1-5.9-166.737.60000115R164 H237 D264R164-T262 PolarHBondContact NH2-O 2.97Å; H237-T262 PolarHBondContact NE2-OG1 3.35Å; T262-D264 WeakPolarHBondContact CB-OD1 3.43Å; T262-D264 PolarHBondContact O-N 3.18Å; T262-D264 PolarHBondContact OG1-OD1 3.24Å
263Y87.7Confident90.6Very high11 Ų1137.4 Ų37.44%0.04320%0.2CC..SBendtrans60.917.8177.3-40-79.3000115.9R161 V162 Y215 K260 Y261R161-Y263 WeakPolarHBondContact CA-O 3.48Å; V162-Y263 HydrophobicContact CB-CG 4.34Å; V162-Y263 HydrophobicContact CG2-CD1 3.77Å; V162-Y263 HydrophobicContact CG2-CD2 4.25Å; V162-Y263 HydrophobicContact CG2-CE1 4.42Å; V162-Y263 HydrophobicContact CG2-CG 3.67Å; Y215-Y263 AromaticContact CD1-CD1 3.86Å; Y215-Y263 HydrophobicContact CD1-CD1 3.86Å; Y215-Y263 AromaticContact CD1-CE1 3.73Å; Y215-Y263 HydrophobicContact CD1-CE1 3.73Å; Y215-Y263 AromaticContact CE1-CD1 3.39Å; Y215-Y263 HydrophobicContact CE1-CD1 3.39Å; Y215-Y263 AromaticContact CE1-CE1 3.68Å; Y215-Y263 HydrophobicContact CE1-CE1 3.68Å; Y215-Y263 HydrophobicContact CE2-CE1 4.46Å; Y215-Y263 HydrophobicContact CG-CE1 4.15Å; Y215-Y263 AromaticContact CZ-CD1 3.85Å; Y215-Y263 VanDerWaalsContact O-CE1 3.29Å; Y215-Y263 WeakPolarHBondContact O-CE1 3.36Å; Y215-Y263 PolarHBondContact O-OH 3.35Å; K260-Y263 WeakPolarHBondContact CE-OH 3.49Å; K260-Y263 PolarHBondContact NZ-OH 3.36Å; Y261-Y263 AromaticContact CD1-CD1 3.48Å; Y261-Y263 HydrophobicContact CD1-CD1 3.48Å; Y261-Y263 VanDerWaalsContact CD1-CD1 3.48Å; Y261-Y263 AromaticContact CD1-CE1 3.85Å; Y261-Y263 HydrophobicContact CD1-CE1 3.85Å; Y261-Y263 HydrophobicContact CD1-CG 4.12Å; Y261-Y263 AromaticContact CE1-CD1 3.65Å; Y261-Y263 HydrophobicContact CE1-CD1 3.65Å; Y261-Y263 HydrophobicContact CE1-CE1 4.41Å; Y261-Y263 HydrophobicContact CE1-CG 4.22Å
264D85.3Confident90.6Very high76 Ų7639 Ų3941%0.40621%0.212SC..SBendtrans-102.2-32.6-175.367.4-54.4000113.2R161 T262R161-D264 PolarHBondContact NE-O 3.18Å; R161-D264 PolarHBondContact NH2-O 2.93Å; T262-D264 WeakPolarHBondContact CB-OD1 3.43Å; T262-D264 PolarHBondContact O-N 3.18Å; T262-D264 PolarHBondContact OG1-OD1 3.24Å
265C87.2Confident90.4Very high39 Ų3942.5 Ų42.526%0.26423%0.226SC..SBendtrans-145.2156.3175.4630000112.5H237 Y261H237-C265 PolarHBondContact CE1-O 3.23Å; Y261-C265 WeakPolarHBondContact CE2-O 3.32Å; Y261-C265 PolarHBondContact OH-O 3.38Å
266P90.6Very high90.1Very high48 Ų4843.4 Ų43.431%0.31223%0.232SC..  trans-61.5158.9171.1-23.135.1000112.8S154 P156 E268S154-P266 WeakPolarHBondContact OG-CB 3.48Å; P156-P266 HydrophobicContact CG-CG 4.22Å; P266-E268 PolarHBondContact O-N 3.34Å
267V92.4Very high89.8Confident2 Ų244.3 Ų44.31%0.01223%0.233CC..  trans-74.8118.3173.5-176.70000109.3S153 S154 F217 F219 L257 Y261 I269S153-V267 CarbonylContact C-O 3.51Å; S153-V267 WeakPolarHBondContact CA-O 3.27Å; S154-V267 PolarHBondContact N-O 3.2Å; S154-V267 PolarHBondContact OG-N 3.21Å; F217-V267 HydrophobicContact CE1-CG2 3.84Å; F217-V267 HydrophobicContact CZ-CG2 4.08Å; F219-V267 HydrophobicContact CD1-CG1 4.36Å; F219-V267 HydrophobicContact CD2-CB 4.49Å; F219-V267 HydrophobicContact CD2-CG1 4.37Å; F219-V267 HydrophobicContact CE1-CG1 4.12Å; F219-V267 HydrophobicContact CE2-CB 4.42Å; F219-V267 HydrophobicContact CE2-CG1 4.12Å; F219-V267 HydrophobicContact CG-CG1 4.49Å; F219-V267 HydrophobicContact CZ-CG1 3.99Å; L257-V267 HydrophobicContact CD1-CG2 4.44Å; L257-V267 HydrophobicContact CD2-CG1 4.28Å; L257-V267 HydrophobicContact CD2-CG2 4.38Å; Y261-V267 HydrophobicContact CD2-CG2 4.23Å; Y261-V267 HydrophobicContact CE2-CG2 4Å; V267-I269 HydrophobicContact CG1-CD1 3.87Å; V267-I269 HydrophobicContact CG1-CG1 4.16Å
268E94.4Very high89.6Confident48 Ų4846.1 Ų46.122%0.22425%0.245CC..EExtended strand (participates in β ladder)trans-111.2128.7169.9-177.2-179.114200109.6R151 V152 S234 P235 S236 P266 L270R151-E268 IonicContact CZ-OE1 2.75Å; R151-E268 IonicContact CZ-OE2 3.55Å; R151-E268 IonicContact NE-OE1 3.61Å; R151-E268 IonicContact NH1-OE1 2.64Å; R151-E268 PolarHBondContact NH1-OE1 3.17Å; R151-E268 IonicContact NH1-OE2 3.64Å; R151-E268 PolarHBondContact NH1-OE2 3.09Å; R151-E268 IonicContact NH2-OE1 3.63Å; R151-E268 PolarHBondContact NH2-OE1 3.34Å; V152-E268 WeakPolarHBondContact O-CA 3.26Å; S234-E268 PolarHBondContact OG-O 3.03Å; P235-E268 WeakPolarHBondContact CD-O 3.13Å; P235-E268 HydrophobicContact CG-CB 4.19Å; P235-E268 HydrophobicContact CG-CG 3.88Å; P235-E268 VanDerWaalsContact CG-OE1 3.27Å; P235-E268 WeakPolarHBondContact CG-OE1 3.47Å; S236-E268 PolarHBondContact OG-N 3.47Å; S236-E268 PolarHBondContact OG-O 2.82Å; S236-E268 VanDerWaalsContact OG-O 3.11Å; P266-E268 PolarHBondContact O-N 3.34Å; E268-L270 HydrophobicContact CG-CD2 4.41Å
269I94.8Very high89.6Confident1 Ų145.6 Ų45.61%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-121.6138.1174.9-50-63.2000109.3V152 F219 L221 V232 I239 I255 V267 I271V152-I269 HydrophobicContact CB-CB 4.39Å; V152-I269 PolarHBondContact N-O 3.23Å; V152-I269 PolarHBondContact O-N 2.93Å; F219-I269 HydrophobicContact CE1-CD1 4.37Å; F219-I269 HydrophobicContact CE1-CG1 4.27Å; F219-I269 HydrophobicContact CZ-CG1 4.1Å; L221-I269 HydrophobicContact CD2-CB 4.17Å; L221-I269 HydrophobicContact CD2-CG1 4.01Å; L221-I269 HydrophobicContact CD2-CG2 3.94Å; V232-I269 HydrophobicContact CG1-CG2 3.51Å; I239-I269 HydrophobicContact CG2-CD1 3.88Å; I255-I269 HydrophobicContact CD1-CG2 4.49Å; I255-I269 HydrophobicContact CG2-CD1 4.49Å; V267-I269 HydrophobicContact CG1-CD1 3.87Å; V267-I269 HydrophobicContact CG1-CG1 4.16Å; I269-I271 HydrophobicContact CG2-CG1 4.28Å
270L94.4Very high89.6Confident10 Ų1041.6 Ų41.65%0.05222%0.218CC..EExtended strand (participates in β ladder)trans-120117.9177.1-58.7-179.5000110.5L145 I150 R151 V232 E233 P235 E268 Y272L145-L270 HydrophobicContact CD1-CD1 4.38Å; L145-L270 HydrophobicContact CD1-CD2 4.28Å; I150-L270 WeakPolarHBondContact O-CA 3.35Å; R151-L270 HydrophobicContact CB-CD2 3.79Å; R151-L270 HydrophobicContact CG-CD2 3.95Å; V232-L270 WeakPolarHBondContact CA-O 3.39Å; V232-L270 WeakPolarHBondContact CG1-O 3.39Å; E233-L270 HydrophobicContact CG-CB 3.85Å; E233-L270 HydrophobicContact CG-CD1 4.38Å; E233-L270 PolarHBondContact N-O 2.83Å; E233-L270 PolarHBondContact O-N 2.95Å; P235-L270 HydrophobicContact CG-CD1 4.1Å; P235-L270 HydrophobicContact CG-CG 4.33Å; E268-L270 HydrophobicContact CG-CD2 4.41Å; L270-Y272 HydrophobicContact CB-CE2 4.47Å
271I92.9Very high89.8Confident1 Ų136.1 Ų36.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-105.9128.3-175-55.8168.3000108.9V24 G149 I150 V152 I223 L229 V232 I269 P273V24-I271 HydrophobicContact CB-CD1 4.25Å; V24-I271 HydrophobicContact CG1-CD1 3.99Å; V24-I271 HydrophobicContact CG2-CD1 4.1Å; G149-I271 CarbonylContact C-O 3.54Å; G149-I271 VanDerWaalsContact CA-O 3.3Å; G149-I271 WeakPolarHBondContact CA-O 3.43Å; I150-I271 HydrophobicContact CB-CB 4.35Å; I150-I271 PolarHBondContact N-O 3.3Å; I150-I271 PolarHBondContact O-N 3.42Å; V152-I271 HydrophobicContact CG2-CD1 4.12Å; I223-I271 HydrophobicContact CD1-CD1 3.57Å; I223-I271 HydrophobicContact CD1-CG1 3.71Å; I223-I271 HydrophobicContact CD1-CG2 4.29Å; I223-I271 HydrophobicContact CG1-CD1 3.84Å; I223-I271 HydrophobicContact CG2-CD1 4.42Å; I223-I271 HydrophobicContact CG2-CG2 4.4Å; L229-I271 HydrophobicContact CD2-CG2 3.82Å; V232-I271 HydrophobicContact CG1-CG1 3.96Å; V232-I271 HydrophobicContact CG2-CG2 4.29Å; I269-I271 HydrophobicContact CG2-CG1 4.28Å; I271-P273 WeakPolarHBondContact O-CD 3.17Å
272Y91.3Very high89.9Confident61 Ų6136.9 Ų36.924%0.23920%0.201CC..EExtended strand (participates in β ladder)trans-109.8110.7179.6-62.9-66.4000111.6L145 A230 G231 E233 L270L145-Y272 HydrophobicContact CD1-CE1 4.36Å; A230-Y272 PolarHBondContact N-O 3.43Å; G231-Y272 PolarHBondContact N-O 3.04Å; G231-Y272 PolarHBondContact O-N 2.91Å; E233-Y272 HydrophobicContact CG-CE2 3.83Å; E233-Y272 WeakPolarHBondContact OE1-CE2 2.77Å; E233-Y272 PolarHBondContact OE1-OH 2.86Å; L270-Y272 HydrophobicContact CB-CE2 4.47Å
273P88.9Confident90.1Very high7 Ų734.7 Ų34.75%0.04519%0.188CC..EExtended strand (participates in β ladder)trans-63.5153.6168.3-21.233.8000112.1I150 Y227 I271 P276I150-P273 HydrophobicContact CD1-CG 4.17Å; I150-P273 HydrophobicContact CG1-CG 4.48Å; Y227-P273 HydrophobicContact CD2-CB 4.05Å; Y227-P273 HydrophobicContact CE1-CB 4.39Å; Y227-P273 HydrophobicContact CE2-CB 3.54Å; Y227-P273 HydrophobicContact CE2-CG 3.92Å; I271-P273 WeakPolarHBondContact O-CD 3.17Å; P273-P276 HydrophobicContact CB-CB 3.94Å; P273-P276 HydrophobicContact CG-CB 4Å
274S87.1Confident90.2Very high55 Ų5534.5 Ų34.539%0.38519%0.187SC..SBendtrans-68.7-36.9169.563.60000113.1L228L228-S274 VanDerWaalsContact O-CB 3.27Å; L228-S274 WeakPolarHBondContact O-CB 3.2Å; L228-S274 PolarHBondContact O-N 3.37Å; L228-S274 PolarHBondContact O-OG 3.28Å
275E86.9Confident90.4Very high111 Ų11133.3 Ų33.352%0.51918%0.181SC..SBendtrans-128.366.1-177-63.8-173.1173.100111H277 V278 H280E275-H277 VanDerWaalsContact C-N 3.25Å; E275-H277 PolarHBondContact O-N 3.06Å; E275-V278 HydrophobicContact CB-CB 4.44Å; E275-V278 HydrophobicContact CB-CG2 4.08Å; E275-V278 PolarHBondContact O-N 3.33Å; E275-H280 PolarHBondContact O-NE2 2.93Å
276P85Confident90.3Very high20 Ų2031.6 Ų31.613%0.1317%0.17CC..THydrogen-bonded Turntrans-72.7-16.1-169.329.9-36.4000114.3Y27 G148 P273Y27-P276 PolarHBondContact OH-O 3.41Å; G148-P276 WeakPolarHBondContact O-CB 3.28Å; P273-P276 HydrophobicContact CB-CB 3.94Å; P273-P276 HydrophobicContact CG-CB 4Å
277H89.9Confident90Very high58 Ų5833.2 Ų33.227%0.26918%0.176SC..THydrogen-bonded Turntrans-102.51.6-175.2-56.6-48.6000114E275 C339 D341E275-H277 VanDerWaalsContact C-N 3.25Å; E275-H277 PolarHBondContact O-N 3.06Å; H277-C339 WeakPolarHBondContact CA-O 3.44Å; H277-C339 PolarHBondContact ND1-O 3.19Å; H277-D341 HydrophobicContact CB-CB 4.36Å; H277-D341 PolarHBondContact ND1-N 3.07Å
278V88.4Confident89.6Confident65 Ų6534.9 Ų34.939%0.39418%0.184SC..SBendtrans-90.7139.3171.2-179.10000108.1E275 H280E275-V278 HydrophobicContact CB-CB 4.44Å; E275-V278 HydrophobicContact CB-CG2 4.08Å; E275-V278 PolarHBondContact O-N 3.33Å; V278-H280 PolarHBondContact O-CD2 2.98Å; V278-H280 PolarHBondContact O-NE2 3.23Å
279P91.3Very high89.1Confident9 Ų934.1 Ų34.16%0.05818%0.183CC..  trans-69.6132.3170.825.8-30.8000111L336 N337 F338 W833 V835P279-L336 HydrophobicContact CB-CD1 4.02Å; P279-N337 CarbonylContact C-O 3.55Å; P279-N337 WeakPolarHBondContact CA-O 3.2Å; P279-F338 HydrophobicContact CB-CB 4.08Å; P279-F338 HydrophobicContact CB-CD2 3.7Å; P279-F338 HydrophobicContact CB-CE2 4.4Å; P279-F338 HydrophobicContact CB-CG 4.08Å; P279-F338 HydrophobicContact CG-CD2 4.15Å; P279-F338 HydrophobicContact CG-CE2 4.38Å; P279-W833 HydrophobicContact CG-CB 3.88Å; P279-V835 HydrophobicContact CB-CG2 3.64Å; P279-V835 HydrophobicContact CG-CG2 3.6Å; P279-V835 WeakPolarHBondContact O-CG2 3.41Å
280H89.7Confident88.4Confident34 Ų3435.2 Ų35.216%0.15719%0.188CC..EExtended strand (participates in β ladder)trans-118.7137.9179.8-65.6-80.1000110.5Y227 E275 V278 N337Y227-H280 AromaticContact CD1-CE1 3.87Å; Y227-H280 AromaticContact CD1-ND1 3.94Å; Y227-H280 AromaticContact CD1-NE2 3.89Å; E275-H280 PolarHBondContact O-NE2 2.93Å; V278-H280 PolarHBondContact O-CD2 2.98Å; V278-H280 PolarHBondContact O-NE2 3.23Å; H280-N337 PolarHBondContact N-O 2.91Å; H280-N337 PolarHBondContact O-N 3.37Å
281V92.3Very high87.8Confident30 Ų3039.7 Ų39.718%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-106.6134.9173.7172.50000110.1V283 V334 M335 L336 A820 V835 F837V281-V283 HydrophobicContact CG1-CG2 4.45Å; V281-V334 HydrophobicContact CG1-CG1 3.46Å; V281-V334 VanDerWaalsContact CG1-CG1 3.46Å; V281-M335 WeakPolarHBondContact CA-O 3.44Å; V281-L336 HydrophobicContact CG2-CB 4.43Å; V281-L336 HydrophobicContact CG2-CD1 3.71Å; V281-A820 HydrophobicContact CG2-CB 4.24Å; V281-V835 HydrophobicContact CB-CG1 4.14Å; V281-V835 HydrophobicContact CG2-CB 4.02Å; V281-V835 HydrophobicContact CG2-CG1 3.75Å; V281-V835 HydrophobicContact CG2-CG2 4.41Å; V281-F837 HydrophobicContact CB-CB 4.48Å; V281-F837 HydrophobicContact CB-CD1 4.31Å; V281-F837 HydrophobicContact CB-CG 4.43Å; V281-F837 HydrophobicContact CG1-CB 4.23Å; V281-F837 HydrophobicContact CG1-CD1 3.97Å; V281-F837 HydrophobicContact CG1-CD2 4.15Å; V281-F837 HydrophobicContact CG1-CE1 4.34Å; V281-F837 HydrophobicContact CG1-CG 3.87Å; V281-F837 HydrophobicContact CG2-CD1 4.1Å; V281-F837 HydrophobicContact CG2-CE1 4.44Å
282L91.4Very high87.5Confident24 Ų2444 Ų4413%0.12623%0.228CC..EExtended strand (participates in β ladder)trans-123.5148.2176.3-79.6158.1000108.6P226 M335 F861P226-L282 HydrophobicContact CB-CD2 3.91Å; P226-L282 HydrophobicContact CG-CD1 4.43Å; P226-L282 HydrophobicContact CG-CD2 3.9Å; P226-L282 HydrophobicContact CG-CG 4.31Å; L282-M335 HydrophobicContact CB-CE 4.13Å; L282-M335 HydrophobicContact CD1-CE 3.72Å; L282-M335 PolarHBondContact N-O 2.79Å; L282-M335 PolarHBondContact O-N 2.85Å; L282-F861 HydrophobicContact CB-CE2 3.68Å; L282-F861 HydrophobicContact CB-CZ 3.94Å; L282-F861 HydrophobicContact CD1-CZ 4.25Å; L282-F861 HydrophobicContact CG-CZ 4.5Å
283V90.8Very high87.3Confident19 Ų1941.1 Ų41.112%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-130.7147.4179.1-168.50000109.8V281 P332 V333 V334 F842V281-V283 HydrophobicContact CG1-CG2 4.45Å; V283-P332 HydrophobicContact CG1-CB 4.47Å; V283-V333 WeakPolarHBondContact CA-O 3.25Å; V283-V334 HydrophobicContact CG1-CG2 4.25Å; V283-V334 HydrophobicContact CG2-CG1 4.31Å; V283-V334 HydrophobicContact CG2-CG2 4.24Å; V283-F842 HydrophobicContact CB-CD1 3.75Å; V283-F842 HydrophobicContact CB-CD2 4.19Å; V283-F842 HydrophobicContact CB-CE1 3.73Å; V283-F842 HydrophobicContact CB-CE2 4.16Å; V283-F842 HydrophobicContact CB-CG 4.01Å; V283-F842 HydrophobicContact CB-CZ 3.94Å; V283-F842 HydrophobicContact CG1-CB 3.87Å; V283-F842 HydrophobicContact CG1-CD1 3.53Å; V283-F842 HydrophobicContact CG1-CD2 4.03Å; V283-F842 HydrophobicContact CG1-CE1 4.07Å; V283-F842 HydrophobicContact CG1-CG 3.53Å; V283-F842 HydrophobicContact CG2-CD2 4.48Å; V283-F842 HydrophobicContact CG2-CE2 4.35Å; V283-F842 HydrophobicContact CG2-CZ 4.47Å
284E89.9Confident87.1Confident7 Ų741.6 Ų41.63%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-130.1134.9176.6-169.617081.500109.5R25 P332 V333 N858 E859 T860 F861 H862R25-E284 IonicContact CZ-OE2 2.78Å; R25-E284 IonicContact NH1-OE2 3.09Å; R25-E284 PolarHBondContact NH1-OE2 3Å; R25-E284 IonicContact NH2-OE2 3.69Å; R25-E284 PolarHBondContact NH2-OE2 3.14Å; E284-P332 CarbonylContact O-C 3.57Å; E284-P332 WeakPolarHBondContact O-CA 3.3Å; E284-P332 WeakPolarHBondContact O-CB 3.39Å; E284-V333 PolarHBondContact N-O 2.87Å; E284-V333 PolarHBondContact O-N 3.15Å; E284-N858 VanDerWaalsContact CD-C 3.41Å; E284-N858 WeakPolarHBondContact CG-O 3.33Å; E284-E859 VanDerWaalsContact OE1-CA 3.29Å; E284-E859 WeakPolarHBondContact OE1-CA 3.17Å; E284-T860 PolarHBondContact OE1-N 2.83Å; E284-T860 VanDerWaalsContact OE1-N 3.14Å; E284-T860 PolarHBondContact OE2-N 3.4Å; E284-F861 HydrophobicContact CB-CB 4.15Å; E284-F861 HydrophobicContact CB-CD2 3.47Å; E284-F861 VanDerWaalsContact CB-CD2 3.47Å; E284-F861 HydrophobicContact CB-CE2 4.07Å; E284-F861 HydrophobicContact CB-CG 4.08Å; E284-F861 HydrophobicContact CG-CD2 4.39Å; E284-F861 WeakPolarHBondContact OE1-CA 3.23Å; E284-F861 WeakPolarHBondContact OE1-CB 3.33Å; E284-F861 PolarHBondContact OE1-N 3.05Å; E284-F861 PolarHBondContact OE2-N 3.27Å; E284-H862 IonicContact OE1-CE1 2.74Å; E284-H862 IonicContact OE1-CG 3.89Å; E284-H862 PolarHBondContact OE1-N 2.96Å; E284-H862 IonicContact OE1-ND1 2.76Å; E284-H862 PolarHBondContact OE1-ND1 2.96Å
285N88.2Confident87.1Confident50 Ų5046.4 Ų46.427%0.26724%0.236SC..  trans-77.7141.7-177.4-75.2-29.1000111.5F842 R846 H862N285-F842 VanDerWaalsContact OD1-CA 3.24Å; N285-F842 WeakPolarHBondContact OD1-CA 3.17Å; N285-F842 VanDerWaalsContact OD1-CB 3.32Å; N285-F842 WeakPolarHBondContact OD1-CB 3.49Å; N285-F842 WeakPolarHBondContact OD1-CD1 3.14Å; N285-F842 PolarHBondContact OD1-O 3.23Å; N285-R846 HydrophobicContact CB-CB 4.35Å; N285-H862 PolarHBondContact O-CE1 3.25Å
286G86.1Confident87.1Confident4 Ų443.6 Ų43.64%0.04122%0.221CC..  trans-67.5165.8167.500000113.1M288 L329G286-M288 VanDerWaalsContact C-N 3.3Å; G286-M288 PolarHBondContact O-N 3.06Å; G286-L329 WeakPolarHBondContact CA-O 3.45Å
287D84.5Confident87.2Confident81 Ų8142.7 Ų42.743%0.43322%0.215SC..SBendtrans-76.6-8.1-17676.2-19.2000115.4L329 H330D287-L329 PolarHBondContact N-O 3.31Å; D287-H330 WeakPolarHBondContact OD1-CA 3.2Å; D287-H330 IonicContact OD1-CE1 3.57Å; D287-H330 IonicContact OD1-CG 2.8Å; D287-H330 IonicContact OD1-ND1 2.73Å; D287-H330 PolarHBondContact OD1-ND1 3.11Å; D287-H330 IonicContact OD2-CE1 2.77Å; D287-H330 IonicContact OD2-ND1 3.22Å; D287-H330 PolarHBondContact OD2-ND1 3.41Å
288M82.9Confident87Confident37 Ų3745 Ų4518%0.18223%0.226CC..SBendtrans-129.4154.4-179.4-77.7-167.2-7200112G286 E292 Y293 Y296 H330G286-M288 VanDerWaalsContact C-N 3.3Å; G286-M288 PolarHBondContact O-N 3.06Å; M288-E292 HydrophobicContact CB-CB 4.09Å; M288-E292 HydrophobicContact CG-CB 4.17Å; M288-E292 HydrophobicContact SD-CB 4.03Å; M288-Y293 HydrophobicContact CE-CD2 4.22Å; M288-Y296 HydrophobicContact CE-CD1 4.1Å; M288-Y296 HydrophobicContact CE-CG 4.01Å; M288-H330 HydrophobicContact CE-CB 3.78Å; M288-H330 VanDerWaalsContact CE-CG 3.42Å; M288-H330 WeakPolarHBondContact CE-ND1 3.48Å
289T83.8Confident87Confident32 Ų3245.6 Ų45.620%0.19623%0.232CC..  trans-75.2162.7166.4610000111.6E291 E292 Y293 S844T289-E291 VanDerWaalsContact C-N 3.25Å; T289-E291 PolarHBondContact O-N 3.34Å; T289-E292 WeakPolarHBondContact CB-OE2 3.33Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.27Å; T289-E292 PolarHBondContact N-OE2 2.79Å; T289-E292 PolarHBondContact O-N 2.88Å; T289-E292 VanDerWaalsContact OG1-CD 3.29Å; T289-E292 VanDerWaalsContact OG1-CG 3.27Å; T289-E292 WeakPolarHBondContact OG1-CG 3.4Å; T289-E292 PolarHBondContact OG1-N 2.73Å; T289-E292 PolarHBondContact OG1-OE2 3.19Å; T289-Y293 WeakPolarHBondContact O-CB 3.2Å; T289-Y293 PolarHBondContact O-N 2.94Å; T289-S844 WeakPolarHBondContact CG2-O 3.16Å
290Q79.7Confident86.9Confident24 Ų2449.5 Ų49.511%0.11225%0.246CC..Hα-helixtrans-60.8-34178.9-176.963.848.300112.5D294Q290-D294 WeakPolarHBondContact O-CB 3.42Å; Q290-D294 PolarHBondContact O-N 2.78Å
291E83Confident86.7Confident104 Ų10451 Ų5149%0.48626%0.26SS..Hα-helixtrans-62.9-52.8172.4-7663.3-147.700112.3T289 Y293 D294 E295 R573T289-E291 VanDerWaalsContact C-N 3.25Å; T289-E291 PolarHBondContact O-N 3.34Å; E291-Y293 VanDerWaalsContact C-N 3.29Å; E291-Y293 PolarHBondContact O-N 3.05Å; E291-D294 PolarHBondContact O-N 2.92Å; E291-E295 PolarHBondContact O-N 3.43Å; E291-R573 IonicContact OE1-CZ 2.65Å; E291-R573 IonicContact OE1-NH1 3.19Å; E291-R573 IonicContact OE1-NH2 2.77Å; E291-R573 PolarHBondContact OE1-NH2 3Å
292E85.8Confident86.3Confident91 Ų9152 Ų5243%0.42527%0.265SS..Hα-helixtrans-62.9-38179.2-70.2166.413100111.3M288 T289 E295 Y296M288-E292 HydrophobicContact CB-CB 4.09Å; M288-E292 HydrophobicContact CG-CB 4.17Å; M288-E292 HydrophobicContact SD-CB 4.03Å; T289-E292 WeakPolarHBondContact CB-OE2 3.33Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.27Å; T289-E292 PolarHBondContact N-OE2 2.79Å; T289-E292 PolarHBondContact O-N 2.88Å; T289-E292 VanDerWaalsContact OG1-CD 3.29Å; T289-E292 VanDerWaalsContact OG1-CG 3.27Å; T289-E292 WeakPolarHBondContact OG1-CG 3.4Å; T289-E292 PolarHBondContact OG1-N 2.73Å; T289-E292 PolarHBondContact OG1-OE2 3.19Å; E292-E295 PolarHBondContact O-N 3.02Å; E292-Y296 VanDerWaalsContact O-CB 3.31Å; E292-Y296 WeakPolarHBondContact O-CB 3.43Å; E292-Y296 PolarHBondContact O-N 3.02Å
293Y86.9Confident86.1Confident2 Ų250.9 Ų50.91%0.00826%0.259CS..Hα-helixtrans-68.2-39.3175.9-178.4-119000112.6M288 T289 E291 Y296 L297 D327 H330 N331M288-Y293 HydrophobicContact CE-CD2 4.22Å; T289-Y293 WeakPolarHBondContact O-CB 3.2Å; T289-Y293 PolarHBondContact O-N 2.94Å; E291-Y293 VanDerWaalsContact C-N 3.29Å; E291-Y293 PolarHBondContact O-N 3.05Å; Y293-Y296 AromaticContact CD2-CD1 3.82Å; Y293-Y296 HydrophobicContact CD2-CD1 3.82Å; Y293-Y296 HydrophobicContact CD2-CE1 4.39Å; Y293-Y296 AromaticContact CE2-CD1 3.97Å; Y293-Y296 HydrophobicContact CE2-CD1 3.97Å; Y293-Y296 HydrophobicContact CE2-CE1 4.15Å; Y293-Y296 PolarHBondContact O-N 3.14Å; Y293-L297 HydrophobicContact CD1-CD1 4.07Å; Y293-L297 HydrophobicContact CD2-CG 4.44Å; Y293-L297 HydrophobicContact CE1-CD1 3.64Å; Y293-L297 HydrophobicContact CE1-CG 4.22Å; Y293-L297 HydrophobicContact CE2-CD1 4.38Å; Y293-L297 HydrophobicContact CE2-CD2 4.24Å; Y293-L297 HydrophobicContact CE2-CG 4.06Å; Y293-L297 WeakPolarHBondContact O-CB 3.43Å; Y293-L297 WeakPolarHBondContact O-CG 2.92Å; Y293-L297 PolarHBondContact O-N 2.72Å; Y293-D327 HydrophobicContact CE2-CB 3.96Å; Y293-H330 HydrophobicContact CD2-CB 3.85Å; Y293-H330 HydrophobicContact CE2-CB 4.03Å; Y293-N331 WeakPolarHBondContact CE1-OD1 3.27Å; Y293-N331 VanDerWaalsContact CZ-ND2 3.32Å; Y293-N331 PolarHBondContact OH-ND2 3.06Å
294D85.4Confident85.9Confident16 Ų1652.6 Ų52.69%0.08627%0.267CS..Hα-helixtrans-61-44.6171-93.7-30.9000111.3Q290 E291 L297 H298 R573 Y574Q290-D294 WeakPolarHBondContact O-CB 3.42Å; Q290-D294 PolarHBondContact O-N 2.78Å; E291-D294 PolarHBondContact O-N 2.92Å; D294-L297 PolarHBondContact O-N 3.28Å; D294-H298 PolarHBondContact O-N 3.09Å; D294-H298 PolarHBondContact O-ND1 3.32Å; D294-R573 WeakPolarHBondContact OD2-CD 3.46Å; D294-R573 IonicContact OD2-CZ 2.64Å; D294-R573 IonicContact OD2-NE 3.95Å; D294-R573 IonicContact OD2-NH1 2.71Å; D294-R573 PolarHBondContact OD2-NH1 3.25Å; D294-Y574 PolarHBondContact OD1-OH 3.16Å
295E87.3Confident85.7Confident157 Ų15758.9 Ų58.973%0.73429%0.294SS*.Hα-helixtrans-64.4-43.5176.1-70.9-162.2172.500112E291 E292 L297 H298 S299E291-E295 PolarHBondContact O-N 3.43Å; E292-E295 PolarHBondContact O-N 3.02Å; E295-L297 PolarHBondContact O-N 3.47Å; E295-H298 PolarHBondContact O-N 2.97Å; E295-S299 PolarHBondContact O-N 3.32Å
296Y87.6Confident85.5Confident51 Ų5157.4 Ų57.420%0.229%0.288CS..Hα-helixtrans-56.8-49.2173.3164.6-101.8000111.1M288 E292 Y293 H298 S299 R300 R323 D327 H330M288-Y296 HydrophobicContact CE-CD1 4.1Å; M288-Y296 HydrophobicContact CE-CG 4.01Å; E292-Y296 VanDerWaalsContact O-CB 3.31Å; E292-Y296 WeakPolarHBondContact O-CB 3.43Å; E292-Y296 PolarHBondContact O-N 3.02Å; Y293-Y296 AromaticContact CD2-CD1 3.82Å; Y293-Y296 HydrophobicContact CD2-CD1 3.82Å; Y293-Y296 HydrophobicContact CD2-CE1 4.39Å; Y293-Y296 AromaticContact CE2-CD1 3.97Å; Y293-Y296 HydrophobicContact CE2-CD1 3.97Å; Y293-Y296 HydrophobicContact CE2-CE1 4.15Å; Y293-Y296 PolarHBondContact O-N 3.14Å; Y296-H298 VanDerWaalsContact C-N 3.34Å; Y296-H298 PolarHBondContact O-N 2.86Å; Y296-S299 WeakPolarHBondContact O-CB 3.5Å; Y296-S299 PolarHBondContact O-N 2.81Å; Y296-S299 PolarHBondContact O-OG 2.88Å; Y296-R300 HydrophobicContact CE1-CG 4.42Å; Y296-R300 WeakPolarHBondContact O-CG 3.49Å; Y296-R300 PolarHBondContact O-N 2.95Å; Y296-R323 PolarHBondContact OH-NH2 3.33Å; Y296-R323 VanDerWaalsContact OH-NH2 3.1Å; Y296-D327 VanDerWaalsContact CE1-OD1 3.26Å; Y296-D327 WeakPolarHBondContact CE1-OD1 3.35Å; Y296-D327 PolarHBondContact OH-OD1 3.44Å; Y296-H330 AromaticContact CE1-CD2 3.79Å; Y296-H330 AromaticContact CZ-NE2 3.91Å
297L86.6Confident85.4Confident1 Ų159 Ų591%0.00530%0.298CS..Hα-helixtrans-57.4-44.1175.4-77.1175.8000111.9Y293 D294 E295 S299 R300 F303 I320Y293-L297 HydrophobicContact CD1-CD1 4.07Å; Y293-L297 HydrophobicContact CD2-CG 4.44Å; Y293-L297 HydrophobicContact CE1-CD1 3.64Å; Y293-L297 HydrophobicContact CE1-CG 4.22Å; Y293-L297 HydrophobicContact CE2-CD1 4.38Å; Y293-L297 HydrophobicContact CE2-CD2 4.24Å; Y293-L297 HydrophobicContact CE2-CG 4.06Å; Y293-L297 WeakPolarHBondContact O-CB 3.43Å; Y293-L297 WeakPolarHBondContact O-CG 2.92Å; Y293-L297 PolarHBondContact O-N 2.72Å; D294-L297 PolarHBondContact O-N 3.28Å; E295-L297 PolarHBondContact O-N 3.47Å; L297-S299 PolarHBondContact O-N 3.25Å; L297-R300 WeakPolarHBondContact O-CB 3.39Å; L297-R300 PolarHBondContact O-N 2.79Å; L297-F303 WeakPolarHBondContact O-CB 3.47Å; L297-F303 WeakPolarHBondContact O-CD1 3.21Å; L297-I320 HydrophobicContact CD1-CD1 4.25Å; L297-I320 HydrophobicContact CD1-CG1 4.06Å
298H86.1Confident85.5Confident107 Ų10763.4 Ų63.450%0.49531%0.313SS..Hα-helixtrans-65-23.6177.2-76.685.4000113.4D294 E295 Y296 F303 I304D294-H298 PolarHBondContact O-N 3.09Å; D294-H298 PolarHBondContact O-ND1 3.32Å; E295-H298 PolarHBondContact O-N 2.97Å; Y296-H298 VanDerWaalsContact C-N 3.34Å; Y296-H298 PolarHBondContact O-N 2.86Å; H298-F303 AromaticContact CD2-CE1 3.96Å; H298-F303 AromaticContact NE2-CE1 3.84Å; H298-I304 WeakPolarHBondContact O-CD1 3.3Å; H298-I304 VanDerWaalsContact O-CG1 3.24Å; H298-I304 WeakPolarHBondContact O-CG1 3.42Å
299S87.2Confident85.7Confident77 Ų7770.4 Ų70.454%0.53834%0.342SS..Hα-helixtrans-74.3-23.2170.785.10000113.9E295 Y296 L297 S301 I304E295-S299 PolarHBondContact O-N 3.32Å; Y296-S299 WeakPolarHBondContact O-CB 3.5Å; Y296-S299 PolarHBondContact O-N 2.81Å; Y296-S299 PolarHBondContact O-OG 2.88Å; L297-S299 PolarHBondContact O-N 3.25Å; S299-S301 PolarHBondContact O-N 2.85Å; S299-I304 WeakPolarHBondContact O-CD1 3.46Å
300R89.7Confident85.7Confident92 Ų9272.1 Ų72.135%0.34735%0.351SS..  trans-72.8121.1-169.3-63.5-50.2-52.9-164.10.2112.3Y296 L297 D302 F303 I304Y296-R300 HydrophobicContact CE1-CG 4.42Å; Y296-R300 WeakPolarHBondContact O-CG 3.49Å; Y296-R300 PolarHBondContact O-N 2.95Å; L297-R300 WeakPolarHBondContact O-CB 3.39Å; L297-R300 PolarHBondContact O-N 2.79Å; R300-D302 IonicContact NE-OD1 2.7Å; R300-D302 PolarHBondContact O-N 2.79Å; R300-F303 HydrophobicContact CB-CB 4.13Å; R300-F303 PolarHBondContact O-N 2.95Å; R300-I304 WeakPolarHBondContact O-CG1 3.32Å; R300-I304 PolarHBondContact O-N 2.95Å
301S85.4Confident85.8Confident64 Ų6475.1 Ų75.145%0.44837%0.374SS..Hα-helixtrans-58.1-27.7-17790.70000114.4S299 K305S299-S301 PolarHBondContact O-N 2.85Å; S301-K305 VanDerWaalsContact O-CB 3.32Å; S301-K305 WeakPolarHBondContact O-CB 3.44Å; S301-K305 WeakPolarHBondContact O-CD 2.3Å; S301-K305 WeakPolarHBondContact O-CG 3.25Å; S301-K305 PolarHBondContact O-N 2.83Å; S301-K305 PolarHBondContact OG-NZ 3.5Å; S301-K305 VanDerWaalsContact OG-NZ 3.09Å
302D83.7Confident85.9Confident52 Ų5272.3 Ų72.328%0.27837%0.366SS..Hα-helixtrans-73.9-41.2175.343.6-45.6000112.5R300 K305 A306 R323R300-D302 IonicContact NE-OD1 2.7Å; R300-D302 PolarHBondContact O-N 2.79Å; D302-K305 PolarHBondContact O-N 2.8Å; D302-A306 PolarHBondContact O-N 2.93Å; D302-R323 IonicContact OD1-NH1 3.42Å; D302-R323 PolarHBondContact OD1-NH1 3.02Å; D302-R323 IonicContact OD2-CZ 2.69Å; D302-R323 IonicContact OD2-NH1 2.76Å; D302-R323 PolarHBondContact OD2-NH1 3.23Å
303F86.9Confident85.8Confident1 Ų170.3 Ų70.30%0.00436%0.358CS..Hα-helixtrans-66.7-45.2171.8-171.5-102.1000111.4L297 H298 R300 K305 A306 T307 K316 V319 I320L297-F303 WeakPolarHBondContact O-CB 3.47Å; L297-F303 WeakPolarHBondContact O-CD1 3.21Å; H298-F303 AromaticContact CD2-CE1 3.96Å; H298-F303 AromaticContact NE2-CE1 3.84Å; R300-F303 HydrophobicContact CB-CB 4.13Å; R300-F303 PolarHBondContact O-N 2.95Å; F303-K305 VanDerWaalsContact C-N 3.31Å; F303-K305 PolarHBondContact O-N 2.94Å; F303-A306 PolarHBondContact O-N 3.43Å; F303-T307 HydrophobicContact CD1-CG2 4.17Å; F303-T307 HydrophobicContact CE1-CG2 3.91Å; F303-T307 HydrophobicContact CE2-CG2 4.38Å; F303-T307 HydrophobicContact CZ-CG2 4.03Å; F303-T307 WeakPolarHBondContact O-CG2 3.47Å; F303-T307 PolarHBondContact O-N 3.49Å; F303-T307 PolarHBondContact O-OG1 3.47Å; F303-K316 HydrophobicContact CE2-CB 4.19Å; F303-K316 HydrophobicContact CE2-CG 4.41Å; F303-K316 HydrophobicContact CZ-CB 4.36Å; F303-K316 HydrophobicContact CZ-CG 4.25Å; F303-V319 HydrophobicContact CD2-CB 4.37Å; F303-V319 HydrophobicContact CD2-CG1 3.88Å; F303-I320 HydrophobicContact CE2-CD1 4.48Å; F303-I320 HydrophobicContact CE2-CG1 4.26Å
304I86.8Confident85.7Confident54 Ų5475.9 Ų75.928%0.27738%0.384SS..Hα-helixtrans-58.1-39.7174.3-63.7167.3000111.8H298 S299 R300 T307 K308H298-I304 WeakPolarHBondContact O-CD1 3.3Å; H298-I304 VanDerWaalsContact O-CG1 3.24Å; H298-I304 WeakPolarHBondContact O-CG1 3.42Å; S299-I304 WeakPolarHBondContact O-CD1 3.46Å; R300-I304 WeakPolarHBondContact O-CG1 3.32Å; R300-I304 PolarHBondContact O-N 2.95Å; I304-T307 PolarHBondContact O-OG1 3.28Å; I304-K308 HydrophobicContact CG2-CD 3.91Å; I304-K308 VanDerWaalsContact O-CB 3.29Å; I304-K308 WeakPolarHBondContact O-CB 3.39Å; I304-K308 WeakPolarHBondContact O-CD 3.19Å; I304-K308 WeakPolarHBondContact O-CG 3.39Å; I304-K308 PolarHBondContact O-N 2.92Å
305K86.4Confident85.7Confident139 Ų13979.5 Ų79.560%0.60440%0.397SS*.Hα-helixtrans-70.9-38.4177.7-77.7161.4-167.3153.30112.1S301 D302 F303 K309S301-K305 VanDerWaalsContact O-CB 3.32Å; S301-K305 WeakPolarHBondContact O-CB 3.44Å; S301-K305 WeakPolarHBondContact O-CD 2.3Å; S301-K305 WeakPolarHBondContact O-CG 3.25Å; S301-K305 PolarHBondContact O-N 2.83Å; S301-K305 PolarHBondContact OG-NZ 3.5Å; S301-K305 VanDerWaalsContact OG-NZ 3.09Å; D302-K305 PolarHBondContact O-N 2.8Å; F303-K305 VanDerWaalsContact C-N 3.31Å; F303-K305 PolarHBondContact O-N 2.94Å; K305-K309 PolarHBondContact O-N 2.82Å
306A83.4Confident85.7Confident19 Ų1974 Ų7416%0.15737%0.37CS..Hα-helixtrans-67.8-51.9178.100000111.5D302 F303 K308 K309 D310 V319D302-A306 PolarHBondContact O-N 2.93Å; F303-A306 PolarHBondContact O-N 3.43Å; A306-K308 PolarHBondContact O-N 3.05Å; A306-K309 PolarHBondContact O-N 2.8Å; A306-D310 PolarHBondContact O-N 2.9Å; A306-D310 VanDerWaalsContact O-O 3.09Å; A306-V319 HydrophobicContact CB-CG2 3.52Å
307T84.3Confident85.7Confident39 Ų3971.7 Ų71.724%0.23936%0.361CS..Hα-helixtrans-63.1-26179.852.10000113.9F303 I304 D310 S311 K316F303-T307 HydrophobicContact CD1-CG2 4.17Å; F303-T307 HydrophobicContact CE1-CG2 3.91Å; F303-T307 HydrophobicContact CE2-CG2 4.38Å; F303-T307 HydrophobicContact CZ-CG2 4.03Å; F303-T307 WeakPolarHBondContact O-CG2 3.47Å; F303-T307 PolarHBondContact O-N 3.49Å; F303-T307 PolarHBondContact O-OG1 3.47Å; I304-T307 PolarHBondContact O-OG1 3.28Å; T307-D310 WeakPolarHBondContact CA-O 3.36Å; T307-D310 CarbonylContact O-C 3.58Å; T307-S311 WeakPolarHBondContact O-CA 3.24Å; T307-S311 PolarHBondContact O-N 2.88Å; T307-K316 HydrophobicContact CG2-CG 3.95Å
308K86Confident85.7Confident172 Ų17273.4 Ų73.475%0.74837%0.371SS*.Hα-helixtrans-79.9-21.5170.8-75.2175.9-179.3174.60114.4I304 A306I304-K308 HydrophobicContact CG2-CD 3.91Å; I304-K308 VanDerWaalsContact O-CB 3.29Å; I304-K308 WeakPolarHBondContact O-CB 3.39Å; I304-K308 WeakPolarHBondContact O-CD 3.19Å; I304-K308 WeakPolarHBondContact O-CG 3.39Å; I304-K308 PolarHBondContact O-N 2.92Å; A306-K308 PolarHBondContact O-N 3.05Å
309K87.1Confident85.8Confident184 Ų18468.9 Ų68.980%0.835%0.351SS*.Hα-helixtrans-83.2-42.4173.4-178.6178176.3-178.10111K305 A306K305-K309 PolarHBondContact O-N 2.82Å; A306-K309 PolarHBondContact O-N 2.8Å
310D83.5Confident85.8Confident69 Ų6965.2 Ų65.237%0.36933%0.325SS..  trans-149.5124.3173.4168.426.8000108.3A306 T307 S312 R315A306-D310 PolarHBondContact O-N 2.9Å; A306-D310 VanDerWaalsContact O-O 3.09Å; T307-D310 WeakPolarHBondContact CA-O 3.36Å; T307-D310 CarbonylContact O-C 3.58Å; D310-S312 VanDerWaalsContact CG-OG 3.31Å; D310-S312 WeakPolarHBondContact OD1-CB 3.18Å; D310-S312 PolarHBondContact OD1-N 2.81Å; D310-S312 PolarHBondContact OD1-OG 3.43Å; D310-S312 WeakPolarHBondContact OD2-CB 3.47Å; D310-S312 PolarHBondContact OD2-OG 2.88Å; D310-R315 HydrophobicContact CB-CB 4.45Å; D310-R315 HydrophobicContact CB-CG 4.15Å; D310-R315 WeakPolarHBondContact OD2-CB 3.41Å
311S82.1Confident85.7Confident87 Ų8765.3 Ų65.361%0.60833%0.329SS*.  trans-92.75.2-177.759.60000113.5T307 K316T307-S311 WeakPolarHBondContact O-CA 3.24Å; T307-S311 PolarHBondContact O-N 2.88Å; S311-K316 WeakPolarHBondContact O-CE 3.43Å; S311-K316 PolarHBondContact O-NZ 2.77Å; S311-K316 VanDerWaalsContact O-NZ 3.07Å
312S85.8Confident85.8Confident45 Ų4566.7 Ų66.732%0.31532%0.324SS..  trans-56.5150.9177.976.50000112.4D310 R315 K316D310-S312 VanDerWaalsContact CG-OG 3.31Å; D310-S312 WeakPolarHBondContact OD1-CB 3.18Å; D310-S312 PolarHBondContact OD1-N 2.81Å; D310-S312 PolarHBondContact OD1-OG 3.43Å; D310-S312 WeakPolarHBondContact OD2-CB 3.47Å; D310-S312 PolarHBondContact OD2-OG 2.88Å; S312-R315 PolarHBondContact O-N 3.33Å; S312-R315 WeakPolarHBondContact OG-CB 3.44Å; S312-R315 PolarHBondContact OG-N 2.98Å; S312-K316 PolarHBondContact O-N 3.09Å
313N83.6Confident86.1Confident48 Ų4864.5 Ų64.526%0.25731%0.312SS..Hα-helixtrans-67.7-46.9-177.8-93.3-1.9000111.6R315 K316 V317 Y574 D576N313-R315 PolarHBondContact O-N 2.82Å; N313-K316 WeakPolarHBondContact O-CB 3.48Å; N313-K316 PolarHBondContact O-N 3.2Å; N313-K316 PolarHBondContact OD1-NZ 2.72Å; N313-V317 PolarHBondContact O-N 3.35Å; N313-Y574 WeakPolarHBondContact CB-O 3.33Å; N313-D576 PolarHBondContact ND2-OD1 3.48Å
314Q84.9Confident86.2Confident119 Ų11964.5 Ų64.556%0.55631%0.312SS*.Hα-helixtrans-49.2-45169.5-177.758.747.200111.5K316 V317 D318Q314-K316 VanDerWaalsContact C-N 3.27Å; Q314-K316 PolarHBondContact O-N 3.27Å; Q314-V317 PolarHBondContact O-N 2.86Å; Q314-D318 PolarHBondContact NE2-OD1 3.14Å; Q314-D318 VanDerWaalsContact NE2-OD1 3.16Å; Q314-D318 VanDerWaalsContact O-CB 3.26Å; Q314-D318 WeakPolarHBondContact O-CB 3.32Å; Q314-D318 PolarHBondContact O-N 2.74Å
315R86.1Confident86.4Confident92 Ų9262.2 Ų62.235%0.34730%0.301SS..Hα-helixtrans-69.1-20.8-176.4-166.754.6173-171.2-3.9114.6D310 S312 N313 D318 V319D310-R315 HydrophobicContact CB-CB 4.45Å; D310-R315 HydrophobicContact CB-CG 4.15Å; D310-R315 WeakPolarHBondContact OD2-CB 3.41Å; S312-R315 PolarHBondContact O-N 3.33Å; S312-R315 WeakPolarHBondContact OG-CB 3.44Å; S312-R315 PolarHBondContact OG-N 2.98Å; N313-R315 PolarHBondContact O-N 2.82Å; R315-D318 IonicContact CZ-OD2 3.37Å; R315-D318 IonicContact NH1-OD2 2.71Å; R315-D318 PolarHBondContact NH1-OD2 3.34Å; R315-D318 WeakPolarHBondContact O-CB 3.39Å; R315-V319 WeakPolarHBondContact O-CG2 3.47Å
316K86.3Confident86.6Confident41 Ų4158.3 Ų58.318%0.17828%0.284CS..Hα-helixtrans-74.9-50.5171.3-63.9161.7-157.9159.60110.4F303 T307 S311 S312 N313 Q314 D318 V319 I320 Y574F303-K316 HydrophobicContact CE2-CB 4.19Å; F303-K316 HydrophobicContact CE2-CG 4.41Å; F303-K316 HydrophobicContact CZ-CB 4.36Å; F303-K316 HydrophobicContact CZ-CG 4.25Å; T307-K316 HydrophobicContact CG2-CG 3.95Å; S311-K316 WeakPolarHBondContact O-CE 3.43Å; S311-K316 PolarHBondContact O-NZ 2.77Å; S311-K316 VanDerWaalsContact O-NZ 3.07Å; S312-K316 PolarHBondContact O-N 3.09Å; N313-K316 WeakPolarHBondContact O-CB 3.48Å; N313-K316 PolarHBondContact O-N 3.2Å; N313-K316 PolarHBondContact OD1-NZ 2.72Å; Q314-K316 VanDerWaalsContact C-N 3.27Å; Q314-K316 PolarHBondContact O-N 3.27Å; K316-D318 VanDerWaalsContact C-N 3.34Å; K316-D318 PolarHBondContact O-N 2.67Å; K316-V319 WeakPolarHBondContact O-CA 3.39Å; K316-V319 WeakPolarHBondContact O-CB 3.16Å; K316-V319 PolarHBondContact O-N 2.97Å; K316-I320 WeakPolarHBondContact O-CG1 3.29Å; K316-I320 PolarHBondContact O-N 3.42Å; K316-Y574 HydrophobicContact CB-CD1 4Å; K316-Y574 HydrophobicContact CB-CE1 4.42Å; K316-Y574 HydrophobicContact CB-CG 4.39Å; K316-Y574 HydrophobicContact CD-CD1 3.52Å; K316-Y574 HydrophobicContact CD-CE1 3.84Å; K316-Y574 HydrophobicContact CG-CD1 4.36Å
317V87.8Confident86.9Confident3 Ų357.5 Ų57.52%0.01828%0.277CS..Hα-helixtrans-54.2-51176.81780000110.5N313 Q314 V319 I320 H321 E545N313-V317 PolarHBondContact O-N 3.35Å; Q314-V317 PolarHBondContact O-N 2.86Å; V317-V319 PolarHBondContact O-N 3.44Å; V317-I320 PolarHBondContact O-N 3.33Å; V317-H321 PolarHBondContact O-N 3.42Å; V317-E545 HydrophobicContact CG1-CG 3.69Å; V317-E545 WeakPolarHBondContact CG1-OE1 3.32Å
318D86.2Confident87.2Confident37 Ų3755.6 Ų55.620%0.19827%0.265CS..Hα-helixtrans-40.5-40.9167.5-115.959.1000115.4Q314 R315 K316 R322Q314-D318 PolarHBondContact NE2-OD1 3.14Å; Q314-D318 VanDerWaalsContact NE2-OD1 3.16Å; Q314-D318 VanDerWaalsContact O-CB 3.26Å; Q314-D318 WeakPolarHBondContact O-CB 3.32Å; Q314-D318 PolarHBondContact O-N 2.74Å; R315-D318 IonicContact CZ-OD2 3.37Å; R315-D318 IonicContact NH1-OD2 2.71Å; R315-D318 PolarHBondContact NH1-OD2 3.34Å; R315-D318 WeakPolarHBondContact O-CB 3.39Å; K316-D318 VanDerWaalsContact C-N 3.34Å; K316-D318 PolarHBondContact O-N 2.67Å; D318-R322 WeakPolarHBondContact O-CB 3.26Å; D318-R322 WeakPolarHBondContact O-CG 3.44Å; D318-R322 PolarHBondContact O-N 3.42Å; D318-R322 PolarHBondContact O-NE 3.34Å; D318-R322 VanDerWaalsContact O-NE 3.13Å; D318-R322 PolarHBondContact O-NH1 3.3Å; D318-R322 PolarHBondContact O-NH2 3.16Å; D318-R322 VanDerWaalsContact O-NH2 3.15Å; D318-R322 IonicContact OD2-CZ 2.75Å; D318-R322 IonicContact OD2-NH1 2.71Å; D318-R322 PolarHBondContact OD2-NH1 3.06Å; D318-R322 IonicContact OD2-NH2 2.62Å; D318-R322 PolarHBondContact OD2-NH2 2.95Å; D318-R322 VanDerWaalsContact OD2-NH2 3.13Å
319V87.6Confident87.3Confident13 Ų1349 Ų498%0.07924%0.238CC..Hα-helixtrans-86.7-36.5-176.3173.90000110.8F303 A306 R315 K316 V317 R322 R323F303-V319 HydrophobicContact CD2-CB 4.37Å; F303-V319 HydrophobicContact CD2-CG1 3.88Å; A306-V319 HydrophobicContact CB-CG2 3.52Å; R315-V319 WeakPolarHBondContact O-CG2 3.47Å; K316-V319 WeakPolarHBondContact O-CA 3.39Å; K316-V319 WeakPolarHBondContact O-CB 3.16Å; K316-V319 PolarHBondContact O-N 2.97Å; V317-V319 PolarHBondContact O-N 3.44Å; V319-R322 CarbonylContact O-C 3.51Å; V319-R322 PolarHBondContact O-N 2.9Å; V319-R323 WeakPolarHBondContact O-CB 3.49Å; V319-R323 WeakPolarHBondContact O-CG 3.3Å; V319-R323 PolarHBondContact O-N 2.94Å
320I88.4Confident87.4Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-61.6-51.6173-66.5165.6000109.5L297 F303 K316 V317 R322 R323 L324 C569 T571 Y574L297-I320 HydrophobicContact CD1-CD1 4.25Å; L297-I320 HydrophobicContact CD1-CG1 4.06Å; F303-I320 HydrophobicContact CE2-CD1 4.48Å; F303-I320 HydrophobicContact CE2-CG1 4.26Å; K316-I320 WeakPolarHBondContact O-CG1 3.29Å; K316-I320 PolarHBondContact O-N 3.42Å; V317-I320 PolarHBondContact O-N 3.33Å; I320-R322 VanDerWaalsContact C-N 3.33Å; I320-R322 PolarHBondContact O-N 3.23Å; I320-R323 CarbonylContact O-C 3.46Å; I320-R323 WeakPolarHBondContact O-CA 3.22Å; I320-R323 WeakPolarHBondContact O-CB 3.41Å; I320-R323 PolarHBondContact O-N 3.08Å; I320-L324 HydrophobicContact CG2-CD2 4.17Å; I320-L324 WeakPolarHBondContact O-CG 3.44Å; I320-L324 PolarHBondContact O-N 3.02Å; I320-C569 HydrophobicContact CG2-CB 4.37Å; I320-C569 VanDerWaalsContact CG2-SG 3.51Å; I320-T571 HydrophobicContact CD1-CG2 4.26Å; I320-T571 HydrophobicContact CG2-CG2 4.12Å; I320-Y574 HydrophobicContact CD1-CD2 3.77Å; I320-Y574 HydrophobicContact CD1-CE2 3.67Å
321H88.1Confident87.7Confident93 Ų9338.8 Ų38.843%0.43119%0.191SC..Hα-helixtrans-52.2-48.2173.4178.3-111.8000112.3V317 R323 L324 E545V317-H321 PolarHBondContact O-N 3.42Å; H321-R323 PolarHBondContact O-N 3.09Å; H321-R323 VanDerWaalsContact O-N 3.17Å; H321-L324 PolarHBondContact O-N 2.9Å; H321-E545 WeakPolarHBondContact CB-OE2 3.36Å; H321-E545 IonicContact CD2-OE2 3.66Å; H321-E545 PolarHBondContact CD2-OE2 3.28Å; H321-E545 IonicContact CG-OE2 3.73Å
322R87.1Confident88.2Confident93 Ų9335.1 Ų35.135%0.35117%0.165SC..THydrogen-bonded Turntrans-70.3-4.7175.2-73-174.5-62-98.4-4.5114.7D318 V319 I320 H325D318-R322 WeakPolarHBondContact O-CB 3.26Å; D318-R322 WeakPolarHBondContact O-CG 3.44Å; D318-R322 PolarHBondContact O-N 3.42Å; D318-R322 PolarHBondContact O-NE 3.34Å; D318-R322 VanDerWaalsContact O-NE 3.13Å; D318-R322 PolarHBondContact O-NH1 3.3Å; D318-R322 PolarHBondContact O-NH2 3.16Å; D318-R322 VanDerWaalsContact O-NH2 3.15Å; D318-R322 IonicContact OD2-CZ 2.75Å; D318-R322 IonicContact OD2-NH1 2.71Å; D318-R322 PolarHBondContact OD2-NH1 3.06Å; D318-R322 IonicContact OD2-NH2 2.62Å; D318-R322 PolarHBondContact OD2-NH2 2.95Å; D318-R322 VanDerWaalsContact OD2-NH2 3.13Å; V319-R322 CarbonylContact O-C 3.51Å; V319-R322 PolarHBondContact O-N 2.9Å; I320-R322 VanDerWaalsContact C-N 3.33Å; I320-R322 PolarHBondContact O-N 3.23Å; R322-H325 PolarHBondContact O-CE1 2.83Å; R322-H325 PolarHBondContact O-ND1 3.42Å
323R89.9Confident88.6Confident6 Ų633 Ų332%0.02315%0.15CC..THydrogen-bonded Turntrans-107.7-22.7177.2-86.4-168.563.393.84.5114.4Y296 D302 V319 I320 H321 H325 K326 D327Y296-R323 PolarHBondContact OH-NH2 3.33Å; Y296-R323 VanDerWaalsContact OH-NH2 3.1Å; D302-R323 IonicContact OD1-NH1 3.42Å; D302-R323 PolarHBondContact OD1-NH1 3.02Å; D302-R323 IonicContact OD2-CZ 2.69Å; D302-R323 IonicContact OD2-NH1 2.76Å; D302-R323 PolarHBondContact OD2-NH1 3.23Å; V319-R323 WeakPolarHBondContact O-CB 3.49Å; V319-R323 WeakPolarHBondContact O-CG 3.3Å; V319-R323 PolarHBondContact O-N 2.94Å; I320-R323 CarbonylContact O-C 3.46Å; I320-R323 WeakPolarHBondContact O-CA 3.22Å; I320-R323 WeakPolarHBondContact O-CB 3.41Å; I320-R323 PolarHBondContact O-N 3.08Å; H321-R323 PolarHBondContact O-N 3.09Å; H321-R323 VanDerWaalsContact O-N 3.17Å; R323-H325 PolarHBondContact O-N 3.38Å; R323-K326 WeakPolarHBondContact O-CA 3.39Å; R323-K326 WeakPolarHBondContact O-CB 3.17Å; R323-K326 PolarHBondContact O-N 3.39Å; R323-D327 IonicContact CZ-OD1 3.87Å; R323-D327 IonicContact CZ-OD2 2.78Å; R323-D327 IonicContact NE-OD2 3.65Å; R323-D327 PolarHBondContact NE-OD2 2.81Å; R323-D327 IonicContact NH2-OD1 3.3Å; R323-D327 PolarHBondContact NH2-OD1 3.22Å; R323-D327 IonicContact NH2-OD2 3.25Å; R323-D327 PolarHBondContact NH2-OD2 3.38Å; R323-D327 PolarHBondContact O-N 2.83Å
324L89.1Confident89.1Confident1 Ų130.7 Ų30.71%0.00514%0.138CC..G310 helixtrans-43.6-44.8-176.4-62.3-178.4000113.2I320 H321 K326 D327 I328 E545 L547 C569I320-L324 HydrophobicContact CG2-CD2 4.17Å; I320-L324 WeakPolarHBondContact O-CG 3.44Å; I320-L324 PolarHBondContact O-N 3.02Å; H321-L324 PolarHBondContact O-N 2.9Å; L324-K326 PolarHBondContact O-N 3.38Å; L324-D327 CarbonylContact O-C 3.57Å; L324-D327 PolarHBondContact O-N 3.4Å; L324-I328 VanDerWaalsContact O-CG1 3.23Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 3.13Å; L324-E545 HydrophobicContact CD1-CB 4.32Å; L324-L547 HydrophobicContact CB-CB 4.11Å; L324-L547 HydrophobicContact CB-CD2 4.09Å; L324-L547 HydrophobicContact CD1-CB 3.96Å; L324-C569 HydrophobicContact CD2-CB 3.52Å
325H89.8Confident89.5Confident6 Ų625 Ų253%0.02811%0.111CC..G310 helixtrans-61.6-5.3178.374.5-95000116.5R322 R323 L547 F873 Y894 T898R322-H325 PolarHBondContact O-CE1 2.83Å; R322-H325 PolarHBondContact O-ND1 3.42Å; R323-H325 PolarHBondContact O-N 3.38Å; H325-L547 HydrophobicContact CB-CD2 3.78Å; H325-F873 HydrophobicContact CB-CE2 3.72Å; H325-F873 HydrophobicContact CB-CZ 3.83Å; H325-Y894 AromaticContact NE2-CD1 3.92Å; H325-Y894 AromaticContact NE2-CG 3.96Å; H325-T898 PolarHBondContact CD2-OG1 3.48Å; H325-T898 WeakPolarHBondContact O-CA 3.46Å; H325-T898 WeakPolarHBondContact O-CB 3.15Å; H325-T898 WeakPolarHBondContact O-CG2 3.33Å; H325-T898 PolarHBondContact O-OG1 2.92Å
326K90.9Very high89.9Confident58 Ų5820.7 Ų20.725%0.25210%0.095SC..G310 helixtrans-116.8-15.8177.9-47.2-179.2-170.5168.60113R323 L324 H897 A901R323-K326 WeakPolarHBondContact O-CA 3.39Å; R323-K326 WeakPolarHBondContact O-CB 3.17Å; R323-K326 PolarHBondContact O-N 3.39Å; L324-K326 PolarHBondContact O-N 3.38Å; K326-H897 HydrophobicContact CD-CB 4.45Å; K326-H897 HydrophobicContact CG-CB 4.19Å; K326-A901 VanDerWaalsContact O-CB 3.22Å; K326-A901 WeakPolarHBondContact O-CB 3.4Å
327D91Very high90.2Very high1 Ų118.9 Ų18.91%0.0059%0.087CC..SBendtrans-117.122.5-173.2-64.8-38.8000110Y293 Y296 R323 L324 L329 H330 N331Y293-D327 HydrophobicContact CE2-CB 3.96Å; Y296-D327 VanDerWaalsContact CE1-OD1 3.26Å; Y296-D327 WeakPolarHBondContact CE1-OD1 3.35Å; Y296-D327 PolarHBondContact OH-OD1 3.44Å; R323-D327 IonicContact CZ-OD1 3.87Å; R323-D327 IonicContact CZ-OD2 2.78Å; R323-D327 IonicContact NE-OD2 3.65Å; R323-D327 PolarHBondContact NE-OD2 2.81Å; R323-D327 IonicContact NH2-OD1 3.3Å; R323-D327 PolarHBondContact NH2-OD1 3.22Å; R323-D327 IonicContact NH2-OD2 3.25Å; R323-D327 PolarHBondContact NH2-OD2 3.38Å; R323-D327 PolarHBondContact O-N 2.83Å; L324-D327 CarbonylContact O-C 3.57Å; L324-D327 PolarHBondContact O-N 3.4Å; D327-L329 PolarHBondContact O-N 2.84Å; D327-H330 WeakPolarHBondContact O-CB 3.37Å; D327-H330 PolarHBondContact O-N 3.42Å; D327-H330 IonicContact OD1-CD2 2.84Å; D327-N331 PolarHBondContact O-ND2 2.69Å
328I90.9Very high90.4Very high0 Ų018.8 Ų18.80%09%0.086CC..G310 helixtrans-55.1-51.1-174.9-61.3-174.1000110.7L324 H330 N331 V333 V567 H862 I869 T898L324-I328 VanDerWaalsContact O-CG1 3.23Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 3.13Å; I328-H330 PolarHBondContact O-N 3.29Å; I328-N331 PolarHBondContact O-N 3.43Å; I328-N331 VanDerWaalsContact O-N 3.1Å; I328-V333 HydrophobicContact CG2-CG2 4.23Å; I328-V567 HydrophobicContact CD1-CG2 4.46Å; I328-V567 HydrophobicContact CG1-CG2 4.31Å; I328-V567 HydrophobicContact CG2-CG1 4.33Å; I328-V567 HydrophobicContact CG2-CG2 3.98Å; I328-H862 PolarHBondContact O-CD2 2.69Å; I328-H862 VanDerWaalsContact O-CD2 3.27Å; I328-I869 HydrophobicContact CD1-CD1 3.75Å; I328-T898 HydrophobicContact CD1-CG2 3.91Å
329L88.1Confident90.7Very high34 Ų3417 Ų1718%0.1788%0.077CC..G310 helixtrans-56.7-19.8178.8-64170.7000114.1G286 D287 D327 H862 A901G286-L329 WeakPolarHBondContact CA-O 3.45Å; D287-L329 PolarHBondContact N-O 3.31Å; D327-L329 PolarHBondContact O-N 2.84Å; L329-H862 HydrophobicContact CD2-CB 3.93Å; L329-A901 WeakPolarHBondContact CD1-O 3.22Å
330H88.8Confident90.8Very high36 Ų3616.8 Ų16.817%0.1678%0.076CC..G310 helixtrans-96.5-6.1-175.6-48.5-38.1000113.4D287 M288 Y293 Y296 D327 I328D287-H330 WeakPolarHBondContact OD1-CA 3.2Å; D287-H330 IonicContact OD1-CE1 3.57Å; D287-H330 IonicContact OD1-CG 2.8Å; D287-H330 IonicContact OD1-ND1 2.73Å; D287-H330 PolarHBondContact OD1-ND1 3.11Å; D287-H330 IonicContact OD2-CE1 2.77Å; D287-H330 IonicContact OD2-ND1 3.22Å; D287-H330 PolarHBondContact OD2-ND1 3.41Å; M288-H330 HydrophobicContact CE-CB 3.78Å; M288-H330 VanDerWaalsContact CE-CG 3.42Å; M288-H330 WeakPolarHBondContact CE-ND1 3.48Å; Y293-H330 HydrophobicContact CD2-CB 3.85Å; Y293-H330 HydrophobicContact CE2-CB 4.03Å; Y296-H330 AromaticContact CE1-CD2 3.79Å; Y296-H330 AromaticContact CZ-NE2 3.91Å; D327-H330 WeakPolarHBondContact O-CB 3.37Å; D327-H330 PolarHBondContact O-N 3.42Å; D327-H330 IonicContact OD1-CD2 2.84Å; I328-H330 PolarHBondContact O-N 3.29Å
331N90.3Very high90.7Very high2 Ų218.6 Ų18.61%0.0119%0.086CC..SBendtrans-129.6133.8-173-70.3-97.7000109.4Y293 D327 I328 V333 V567 C569 H862Y293-N331 WeakPolarHBondContact CE1-OD1 3.27Å; Y293-N331 VanDerWaalsContact CZ-ND2 3.32Å; Y293-N331 PolarHBondContact OH-ND2 3.06Å; D327-N331 PolarHBondContact O-ND2 2.69Å; I328-N331 PolarHBondContact O-N 3.43Å; I328-N331 VanDerWaalsContact O-N 3.1Å; N331-V333 PolarHBondContact O-N 2.92Å; N331-V567 HydrophobicContact CB-CG1 3.83Å; N331-C569 WeakPolarHBondContact OD1-CA 3.43Å; N331-C569 VanDerWaalsContact OD1-CB 3.22Å; N331-C569 WeakPolarHBondContact OD1-CB 3.19Å; N331-H862 PolarHBondContact O-NE2 2.61Å
332P91.8Very high90.4Very high10 Ų1014.2 Ų14.27%0.0657%0.065CC..  trans-58140.8-175.322.4-33.4000113V283 E284 V568 F842 L843V283-P332 HydrophobicContact CG1-CB 4.47Å; E284-P332 CarbonylContact O-C 3.57Å; E284-P332 WeakPolarHBondContact O-CA 3.3Å; E284-P332 WeakPolarHBondContact O-CB 3.39Å; P332-V568 WeakPolarHBondContact CD-O 3.45Å; P332-V568 PolarHBondContact O-N 3.31Å; P332-F842 HydrophobicContact CB-CB 4.29Å; P332-L843 HydrophobicContact CG-CD2 3.71Å
333V93.3Very high89.7Confident0 Ų015.2 Ų15.20%07%0.072CC..EExtended strand (participates in β ladder)trans-109.7120.2-177.9174.60000109.8V283 E284 I328 N331 Y565 V567 F861 H862 A865V283-V333 WeakPolarHBondContact CA-O 3.25Å; E284-V333 PolarHBondContact N-O 2.87Å; E284-V333 PolarHBondContact O-N 3.15Å; I328-V333 HydrophobicContact CG2-CG2 4.23Å; N331-V333 PolarHBondContact O-N 2.92Å; V333-Y565 HydrophobicContact CG1-CD1 4.37Å; V333-V567 HydrophobicContact CG2-CG1 4.29Å; V333-V567 HydrophobicContact CG2-CG2 4.18Å; V333-F861 HydrophobicContact CB-CB 4.46Å; V333-F861 HydrophobicContact CG1-CB 3.95Å; V333-H862 HydrophobicContact CG2-CB 4.48Å; V333-H862 WeakPolarHBondContact CG2-CD2 3.46Å; V333-A865 HydrophobicContact CG1-CB 3.78Å
334V93.9Very high88.6Confident0 Ų018.9 Ų18.90%010%0.098CC..EExtended strand (participates in β ladder)trans-93.1132.7173.1-173.20000108.7V281 V283 W538 Y565 S566 V568 F837 I839V281-V334 HydrophobicContact CG1-CG1 3.46Å; V281-V334 VanDerWaalsContact CG1-CG1 3.46Å; V283-V334 HydrophobicContact CG1-CG2 4.25Å; V283-V334 HydrophobicContact CG2-CG1 4.31Å; V283-V334 HydrophobicContact CG2-CG2 4.24Å; V334-W538 HydrophobicContact CB-CZ3 4.34Å; V334-W538 HydrophobicContact CG1-CH2 4.01Å; V334-W538 HydrophobicContact CG1-CZ3 3.64Å; V334-Y565 CarbonylContact O-C 3.55Å; V334-Y565 WeakPolarHBondContact O-CA 3.36Å; V334-S566 PolarHBondContact N-O 2.99Å; V334-S566 PolarHBondContact O-N 2.75Å; V334-V568 HydrophobicContact CG2-CG2 4Å; V334-F837 HydrophobicContact CG1-CE2 3.91Å; V334-F837 HydrophobicContact CG1-CZ 3.93Å; V334-F837 HydrophobicContact CG2-CE2 4.18Å; V334-I839 HydrophobicContact CG2-CD1 3.66Å
335M94.3Very high87.4Confident0 Ų022.8 Ų22.80%012%0.119CC..EExtended strand (participates in β ladder)trans-123.9126.3176.5-178.4-179.661.300110.5T28 V281 L282 N337 I563 G564 Y565 F861T28-M335 HydrophobicContact CG2-CE 3.91Å; T28-M335 HydrophobicContact CG2-SD 3.42Å; T28-M335 WeakPolarHBondContact CG2-SD 3.29Å; V281-M335 WeakPolarHBondContact CA-O 3.44Å; L282-M335 HydrophobicContact CB-CE 4.13Å; L282-M335 HydrophobicContact CD1-CE 3.72Å; L282-M335 PolarHBondContact N-O 2.79Å; L282-M335 PolarHBondContact O-N 2.85Å; M335-N337 WeakPolarHBondContact CE-ND2 3.29Å; M335-I563 HydrophobicContact CG-CG2 3.78Å; M335-I563 HydrophobicContact SD-CG2 3.94Å; M335-G564 CarbonylContact C-O 3.49Å; M335-G564 VanDerWaalsContact CA-O 3.31Å; M335-G564 WeakPolarHBondContact CA-O 3.39Å; M335-Y565 HydrophobicContact CB-CD1 4.07Å; M335-Y565 HydrophobicContact CB-CE1 4.04Å; M335-Y565 HydrophobicContact CG-CD1 3.98Å; M335-Y565 HydrophobicContact CG-CE1 3.58Å; M335-Y565 HydrophobicContact SD-CD1 4.5Å; M335-Y565 HydrophobicContact SD-CE1 3.57Å; M335-Y565 VanDerWaalsContact SD-CE1 3.57Å; M335-F861 HydrophobicContact CB-CD2 4.2Å; M335-F861 HydrophobicContact CB-CG 4.39Å; M335-F861 HydrophobicContact CE-CD1 3.62Å; M335-F861 HydrophobicContact CE-CD2 4.23Å; M335-F861 HydrophobicContact CE-CE1 3.31Å; M335-F861 HydrophobicContact CE-CE2 3.99Å; M335-F861 HydrophobicContact CE-CG 4.1Å; M335-F861 HydrophobicContact CE-CZ 3.53Å; M335-F861 HydrophobicContact SD-CD1 4.04Å; M335-F861 HydrophobicContact SD-CE1 4.32Å; M335-F861 HydrophobicContact SD-CG 4.36Å
336L94.3Very high85.9Confident1 Ų123.2 Ų23.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-99127.5172.117469.5000109.4P279 V281 I536 W538 I563 G564 A820 V822 V835P279-L336 HydrophobicContact CB-CD1 4.02Å; V281-L336 HydrophobicContact CG2-CB 4.43Å; V281-L336 HydrophobicContact CG2-CD1 3.71Å; L336-I536 HydrophobicContact CD2-CD1 4.19Å; L336-I536 HydrophobicContact CD2-CG1 4.37Å; L336-I536 HydrophobicContact CD2-CG2 3.65Å; L336-W538 HydrophobicContact CB-CH2 3.65Å; L336-W538 HydrophobicContact CB-CZ2 3.95Å; L336-I563 CarbonylContact O-C 2.94Å; L336-I563 VanDerWaalsContact O-CA 3.29Å; L336-I563 WeakPolarHBondContact O-CA 3.47Å; L336-G564 PolarHBondContact N-O 3.23Å; L336-G564 PolarHBondContact O-N 3.43Å; L336-A820 HydrophobicContact CD1-CB 4.34Å; L336-A820 HydrophobicContact CD2-CB 4.34Å; L336-V822 HydrophobicContact CD2-CG2 3.72Å; L336-V835 HydrophobicContact CD1-CG2 4.26Å
337N92.9Very high84.3Confident3 Ų325.9 Ų25.92%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-115.4128.8174.9-76.5-28.9000110.2Y27 P279 H280 M335Y27-N337 HydrophobicContact CD2-CB 3.59Å; Y27-N337 HydrophobicContact CE2-CB 3.75Å; Y27-N337 HydrophobicContact CG-CB 4.06Å; Y27-N337 PolarHBondContact N-ND2 2.86Å; Y27-N337 VanDerWaalsContact N-ND2 3.18Å; P279-N337 CarbonylContact C-O 3.55Å; P279-N337 WeakPolarHBondContact CA-O 3.2Å; H280-N337 PolarHBondContact N-O 2.91Å; H280-N337 PolarHBondContact O-N 3.37Å; M335-N337 WeakPolarHBondContact CE-ND2 3.29Å
338F92.3Very high82.8Confident0 Ų028 Ų280%016%0.16CC..EExtended strand (participates in β ladder)trans-148.8129.8179.7179.3-130.1000113P279 P340 L531 L562 V822 W833P279-F338 HydrophobicContact CB-CB 4.08Å; P279-F338 HydrophobicContact CB-CD2 3.7Å; P279-F338 HydrophobicContact CB-CE2 4.4Å; P279-F338 HydrophobicContact CB-CG 4.08Å; P279-F338 HydrophobicContact CG-CD2 4.15Å; P279-F338 HydrophobicContact CG-CE2 4.38Å; F338-P340 HydrophobicContact CD1-CG 4.42Å; F338-P340 HydrophobicContact CE1-CB 4.01Å; F338-P340 HydrophobicContact CE1-CG 3.85Å; F338-P340 HydrophobicContact CE2-CB 4.11Å; F338-P340 HydrophobicContact CZ-CB 3.6Å; F338-P340 HydrophobicContact CZ-CG 3.99Å; F338-L531 HydrophobicContact CE1-CD2 4.45Å; F338-L562 HydrophobicContact CB-CB 4.39Å; F338-L562 HydrophobicContact CD1-CD2 4.18Å; F338-L562 PolarHBondContact N-O 2.97Å; F338-L562 PolarHBondContact O-N 3.47Å; F338-V822 HydrophobicContact CD1-CG1 4.02Å; F338-V822 HydrophobicContact CD1-CG2 4.34Å; F338-V822 HydrophobicContact CE1-CG1 3.89Å; F338-W833 HydrophobicContact CE1-CD2 4.25Å; F338-W833 HydrophobicContact CE1-CE3 4.04Å; F338-W833 HydrophobicContact CE1-CZ3 4.18Å; F338-W833 HydrophobicContact CE2-CD2 4.3Å; F338-W833 HydrophobicContact CE2-CG 4.31Å; F338-W833 AromaticContact CZ-CD2 3.56Å; F338-W833 HydrophobicContact CZ-CD2 3.56Å; F338-W833 AromaticContact CZ-CE2 3.63Å; F338-W833 AromaticContact CZ-CE3 3.81Å; F338-W833 HydrophobicContact CZ-CE3 3.81Å; F338-W833 HydrophobicContact CZ-CG 4.01Å; F338-W833 HydrophobicContact CZ-CH2 4.17Å; F338-W833 AromaticContact CZ-CZ2 3.95Å; F338-W833 HydrophobicContact CZ-CZ2 3.95Å; F338-W833 HydrophobicContact CZ-CZ3 4.11Å
339C91.9Very high81.3Confident1 Ų130.3 Ų30.31%0.00717%0.172CC..  trans-133.684.5176.3-179.40000110.6Y27 T144 H277Y27-C339 HydrophobicContact CE2-CB 4.1Å; Y27-C339 WeakPolarHBondContact OH-CB 3.32Å; Y27-C339 PolarHBondContact OH-N 2.96Å; T144-C339 HydrophobicContact CG2-CB 4.33Å; H277-C339 WeakPolarHBondContact CA-O 3.44Å; H277-C339 PolarHBondContact ND1-O 3.19Å
340P89.1Confident79.8Confident7 Ų734.8 Ų34.85%0.04519%0.186CC..  trans-65.5140.7-173.324.6-32.5000113.4F338 L342 L531 L556F338-P340 HydrophobicContact CD1-CG 4.42Å; F338-P340 HydrophobicContact CE1-CB 4.01Å; F338-P340 HydrophobicContact CE1-CG 3.85Å; F338-P340 HydrophobicContact CE2-CB 4.11Å; F338-P340 HydrophobicContact CZ-CB 3.6Å; F338-P340 HydrophobicContact CZ-CG 3.99Å; P340-L342 HydrophobicContact CB-CD2 3.82Å; P340-L342 HydrophobicContact CB-CG 4.34Å; P340-L342 HydrophobicContact CG-CD2 3.88Å; P340-L342 HydrophobicContact CG-CG 4.18Å; P340-L342 PolarHBondContact O-N 3.19Å; P340-L531 HydrophobicContact CG-CD2 4.28Å; P340-L556 HydrophobicContact CG-CD1 3.74Å
341D86.1Confident78.5Confident39 Ų3937.7 Ų37.721%0.20920%0.198CC..  trans-7688.6165.7-1797.8000110.5H277 K343 S344 I345H277-D341 HydrophobicContact CB-CB 4.36Å; H277-D341 PolarHBondContact ND1-N 3.07Å; D341-K343 PolarHBondContact O-N 2.93Å; D341-K343 WeakPolarHBondContact OD1-CA 3.43Å; D341-K343 WeakPolarHBondContact OD1-CB 3.35Å; D341-K343 PolarHBondContact OD1-N 3.4Å; D341-S344 PolarHBondContact OD1-N 2.85Å; D341-S344 VanDerWaalsContact OD1-N 3.08Å; D341-S344 WeakPolarHBondContact OD2-CB 3.33Å; D341-S344 PolarHBondContact OD2-OG 3.42Å; D341-I345 WeakPolarHBondContact O-CD1 3.38Å; D341-I345 VanDerWaalsContact O-CG1 3.26Å; D341-I345 WeakPolarHBondContact O-CG1 3.2Å
342L81.7Confident77.3Confident1 Ų138 Ų381%0.00520%0.2CC..Hα-helixtrans-73.1-17175.1-55.7-176.2000112.7P340 P529 L531 L556 P558 L826P340-L342 HydrophobicContact CB-CD2 3.82Å; P340-L342 HydrophobicContact CB-CG 4.34Å; P340-L342 HydrophobicContact CG-CD2 3.88Å; P340-L342 HydrophobicContact CG-CG 4.18Å; P340-L342 PolarHBondContact O-N 3.19Å; L342-P529 HydrophobicContact CB-CG 4.31Å; L342-P529 WeakPolarHBondContact O-CG 3.18Å; L342-L531 HydrophobicContact CD1-CB 4.18Å; L342-L531 HydrophobicContact CD2-CB 3.91Å; L342-L556 HydrophobicContact CD1-CB 4.45Å; L342-L556 WeakPolarHBondContact CD1-O 3.43Å; L342-P558 HydrophobicContact CB-CB 4.23Å; L342-P558 HydrophobicContact CB-CG 4Å; L342-P558 HydrophobicContact CD1-CG 4.5Å; L342-L826 HydrophobicContact CD2-CD1 4.02Å; L342-L826 HydrophobicContact CD2-CD2 4.42Å
343K72.9Confident76.5Confident114 Ų11440.2 Ų40.250%0.49621%0.21SC..Hα-helixtrans-80.6-42.3-173.5-66.7-178.4178.7176.30113.1D341 P558D341-K343 PolarHBondContact O-N 2.93Å; D341-K343 WeakPolarHBondContact OD1-CA 3.43Å; D341-K343 WeakPolarHBondContact OD1-CB 3.35Å; D341-K343 PolarHBondContact OD1-N 3.4Å; K343-P558 HydrophobicContact CD-CB 4.44Å; K343-P558 HydrophobicContact CG-CB 3.84Å; K343-P558 HydrophobicContact CG-CG 4.31Å
344S67.3Low76.1Confident82 Ų8240.2 Ų40.257%0.57321%0.21SC*.Hα-helixtrans-73.1-30.6177.763.20000112.8D341D341-S344 PolarHBondContact OD1-N 2.85Å; D341-S344 VanDerWaalsContact OD1-N 3.08Å; D341-S344 WeakPolarHBondContact OD2-CB 3.33Å; D341-S344 PolarHBondContact OD2-OG 3.42Å
345I64Low76Confident84 Ų8440.3 Ų40.343%0.43121%0.21SC..Hα-helixtrans-76.4-28.3-173.1-57.2173000112.4D341 L826 M831D341-I345 WeakPolarHBondContact O-CD1 3.38Å; D341-I345 VanDerWaalsContact O-CG1 3.26Å; D341-I345 WeakPolarHBondContact O-CG1 3.2Å; I345-L826 HydrophobicContact CB-CD2 3.98Å; I345-L826 HydrophobicContact CG2-CD2 3.46Å; I345-L826 VanDerWaalsContact CG2-CD2 3.46Å; I345-M831 HydrophobicContact CG2-CE 4.28Å
346C58.5Low75.9Confident15 Ų1540.3 Ų40.310%0.10121%0.21CC..  trans-144.994.6-178.6-166.90000114.6P529 C827C346-P529 HydrophobicContact CB-CB 3.85Å; C346-P529 HydrophobicContact CB-CG 4.32Å; C346-P529 WeakPolarHBondContact O-CG 3.49Å; C346-C827 VanDerWaalsContact SG-SG 3.67Å
347S56.8Low76Confident113 Ų11340.4 Ų40.479%0.7921%0.21SC*.  trans-89.30.3172.8-43.10000114.4
348D59.8Low76.1Confident47 Ų4740.3 Ų40.325%0.25121%0.21SC..  trans-99.3100.6-171.3-169.3-5.8000111.9R350 K351D348-R350 PolarHBondContact O-N 2.82Å; D348-R350 VanDerWaalsContact OD1-CB 3.25Å; D348-R350 WeakPolarHBondContact OD1-CB 3.39Å; D348-R350 VanDerWaalsContact OD1-CG 3.28Å; D348-R350 WeakPolarHBondContact OD1-CG 3.39Å; D348-R350 IonicContact OD1-CZ 2.85Å; D348-R350 PolarHBondContact OD1-N 3.46Å; D348-R350 VanDerWaalsContact OD1-N 3.14Å; D348-R350 IonicContact OD1-NE 3.95Å; D348-R350 PolarHBondContact OD1-NE 2.89Å; D348-R350 IonicContact OD1-NH2 2.69Å; D348-R350 IonicContact OD2-CZ 3.38Å; D348-R350 VanDerWaalsContact OD2-CZ 3.3Å; D348-R350 IonicContact OD2-NE 2.68Å; D348-R350 PolarHBondContact OD2-NE 3.08Å; D348-R350 IonicContact OD2-NH2 3.43Å; D348-R350 PolarHBondContact OD2-NH2 3.09Å; D348-K351 PolarHBondContact O-N 2.96Å; D348-K351 VanDerWaalsContact O-N 3.09Å
349L58.6Low76.2Confident48 Ų4840.3 Ų40.325%0.25121%0.21SC..G310 helixtrans-56.9-15.8179.2-71.6165.6000113.9K351 V352 M527 A1215L349-K351 PolarHBondContact O-N 3.15Å; L349-V352 HydrophobicContact CD2-CG2 4.25Å; L349-V352 PolarHBondContact O-N 3.36Å; L349-M527 HydrophobicContact CD2-CB 4.29Å; L349-M527 WeakPolarHBondContact CD2-O 3.46Å; L349-A1215 HydrophobicContact CD1-CB 3.44Å; L349-A1215 VanDerWaalsContact CD1-CB 3.44Å
350R56.8Low76.4Confident127 Ų12740.2 Ų40.248%0.47921%0.209SC..G310 helixtrans-65.1-16.5174-66-179.2-67.8-179.63.3114.6D348 M1219D348-R350 PolarHBondContact O-N 2.82Å; D348-R350 VanDerWaalsContact OD1-CB 3.25Å; D348-R350 WeakPolarHBondContact OD1-CB 3.39Å; D348-R350 VanDerWaalsContact OD1-CG 3.28Å; D348-R350 WeakPolarHBondContact OD1-CG 3.39Å; D348-R350 IonicContact OD1-CZ 2.85Å; D348-R350 PolarHBondContact OD1-N 3.46Å; D348-R350 VanDerWaalsContact OD1-N 3.14Å; D348-R350 IonicContact OD1-NE 3.95Å; D348-R350 PolarHBondContact OD1-NE 2.89Å; D348-R350 IonicContact OD1-NH2 2.69Å; D348-R350 IonicContact OD2-CZ 3.38Å; D348-R350 VanDerWaalsContact OD2-CZ 3.3Å; D348-R350 IonicContact OD2-NE 2.68Å; D348-R350 PolarHBondContact OD2-NE 3.08Å; D348-R350 IonicContact OD2-NH2 3.43Å; D348-R350 PolarHBondContact OD2-NH2 3.09Å; R350-M1219 HydrophobicContact CG-CE 3.87Å; R350-M1219 HydrophobicContact CG-CG 3.54Å; R350-M1219 HydrophobicContact CG-SD 3.72Å
351K61.5Low76.6Confident97 Ų9739.9 Ų39.942%0.42221%0.207SC..G310 helixtrans-109.511.3-175.8-45.5-178-177.8177.90113.3D348 L349 H353 C827D348-K351 PolarHBondContact O-N 2.96Å; D348-K351 VanDerWaalsContact O-N 3.09Å; L349-K351 PolarHBondContact O-N 3.15Å; K351-H353 PolarHBondContact O-CD2 2.88Å; K351-H353 VanDerWaalsContact O-CD2 3.28Å; K351-H353 PolarHBondContact O-N 3.22Å; K351-C827 HydrophobicContact CB-CB 3.71Å; K351-C827 WeakPolarHBondContact O-CA 3.38Å; K351-C827 WeakPolarHBondContact O-CB 3.47Å; K351-C827 PolarHBondContact O-SG 2.61Å
352V64.9Low77Confident9 Ų939 Ų396%0.05520%0.201CC..  trans-85.9113.3-178.2178.80000109L349 C389 M527L349-V352 HydrophobicContact CD2-CG2 4.25Å; L349-V352 PolarHBondContact O-N 3.36Å; V352-C389 PolarHBondContact O-SG 3.12Å; V352-M527 HydrophobicContact CG1-CB 4.49Å; V352-M527 HydrophobicContact CG1-SD 3.84Å
353H74.9Confident77.4Confident57 Ų5739 Ų3926%0.26420%0.201SC..  trans-110.8145.2179.8-67.2-70.4000109.8K351 G388 G449 H450 P451K351-H353 PolarHBondContact O-CD2 2.88Å; K351-H353 VanDerWaalsContact O-CD2 3.28Å; K351-H353 PolarHBondContact O-N 3.22Å; H353-G388 PolarHBondContact ND1-O 3.23Å; H353-G449 WeakPolarHBondContact CB-O 3.32Å; H353-H450 AromaticContact CG-NE2 3.9Å; H353-H450 AromaticContact ND1-CE1 3.83Å; H353-H450 AromaticContact ND1-NE2 3.49Å; H353-H450 PolarHBondContact ND1-NE2 2.67Å; H353-P451 WeakPolarHBondContact O-CD 3.1Å
354G85.8Confident78.1Confident0 Ų035.5 Ų35.50%020%0.197CC..  trans180156.8-176.100000112.2L390 H450G354-L390 PolarHBondContact O-N 2.9Å; G354-H450 PolarHBondContact N-CD2 2.99Å
355E91.5Very high79.1Confident1 Ų134.5 Ų34.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-110.4105.4177-175.3-168.1-164.500110.3I357 L390 S407 P451 R452 L453E355-I357 HydrophobicContact CG-CD1 4.49Å; E355-I357 HydrophobicContact CG-CG1 4.25Å; E355-L390 CarbonylContact C-O 3.48Å; E355-L390 WeakPolarHBondContact CA-O 3.34Å; E355-L390 HydrophobicContact CB-CB 4.21Å; E355-L390 HydrophobicContact CG-CB 4.11Å; E355-S407 WeakPolarHBondContact OE1-CB 3.31Å; E355-S407 PolarHBondContact OE1-OG 2.77Å; E355-P451 PolarHBondContact N-O 3.07Å; E355-R452 IonicContact OE1-NE 2.65Å; E355-R452 IonicContact OE1-NH2 3.05Å; E355-R452 PolarHBondContact OE1-NH2 2.91Å; E355-R452 IonicContact OE2-CZ 3.81Å; E355-R452 IonicContact OE2-NE 3.93Å; E355-R452 PolarHBondContact OE2-NE 3.39Å; E355-R452 IonicContact OE2-NH2 2.94Å; E355-R452 PolarHBondContact OE2-NH2 2.79Å; E355-L453 PolarHBondContact O-N 3.37Å
356F92.9Very high80.2Confident1 Ų130.5 Ų30.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-92.6104.4-173.9-66.7-96.9000111.4F358 L385 C389 L390 F391 N392 L453 F455 L523 M527F356-F358 HydrophobicContact CB-CE2 3.81Å; F356-F358 HydrophobicContact CB-CZ 3.93Å; F356-L385 HydrophobicContact CB-CD2 4.27Å; F356-L385 HydrophobicContact CD1-CD2 3.77Å; F356-L385 HydrophobicContact CD2-CD2 4.02Å; F356-L385 HydrophobicContact CE1-CD2 4.09Å; F356-L385 HydrophobicContact CE2-CD2 4.33Å; F356-L385 HydrophobicContact CG-CD2 3.74Å; F356-L385 HydrophobicContact CZ-CD2 4.37Å; F356-C389 HydrophobicContact CD2-CB 4.01Å; F356-C389 HydrophobicContact CE2-CB 3.88Å; F356-L390 PolarHBondContact N-O 3.11Å; F356-F391 HydrophobicContact CB-CB 4.15Å; F356-F391 CarbonylContact O-C 3.53Å; F356-F391 WeakPolarHBondContact O-CA 3.26Å; F356-F391 WeakPolarHBondContact O-CB 3.49Å; F356-N392 PolarHBondContact O-N 3.22Å; F356-L453 HydrophobicContact CD1-CB 4.27Å; F356-L453 HydrophobicContact CD1-CD1 3.95Å; F356-L453 HydrophobicContact CD2-CD1 4.25Å; F356-L453 HydrophobicContact CE1-CB 4.47Å; F356-L453 HydrophobicContact CE1-CD1 3.42Å; F356-L453 VanDerWaalsContact CE1-CD1 3.42Å; F356-L453 HydrophobicContact CE2-CD1 3.76Å; F356-L453 HydrophobicContact CG-CD1 4.33Å; F356-L453 HydrophobicContact CZ-CD1 3.31Å; F356-F455 HydrophobicContact CD1-CD2 4.45Å; F356-F455 AromaticContact CD1-CE2 3.8Å; F356-F455 HydrophobicContact CD1-CE2 3.8Å; F356-F455 HydrophobicContact CD1-CZ 4.49Å; F356-F455 HydrophobicContact CE1-CE2 4.17Å; F356-L523 HydrophobicContact CD1-CD1 3.99Å; F356-L523 HydrophobicContact CE1-CD1 3.56Å; F356-L523 HydrophobicContact CZ-CD1 4.42Å; F356-M527 HydrophobicContact CE1-CE 3.99Å; F356-M527 HydrophobicContact CE2-CE 3.89Å; F356-M527 HydrophobicContact CZ-CE 3.38Å; F356-M527 HydrophobicContact CZ-SD 3.91Å
357I95Very high81.6Confident3 Ų333 Ų332%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-104113.6179.1-57.8-178.9000109.2E355 V394 I441 R452 L453 L454 F455E355-I357 HydrophobicContact CG-CD1 4.49Å; E355-I357 HydrophobicContact CG-CG1 4.25Å; I357-V394 HydrophobicContact CG2-CG2 4.23Å; I357-I441 HydrophobicContact CD1-CG2 3.79Å; I357-I441 HydrophobicContact CG2-CD1 3.88Å; I357-I441 HydrophobicContact CG2-CG1 4.2Å; I357-R452 HydrophobicContact CD1-CG 3.87Å; I357-L453 PolarHBondContact N-O 3.5Å; I357-L454 HydrophobicContact CB-CD1 4.12Å; I357-L454 HydrophobicContact CG2-CD1 3.9Å; I357-F455 PolarHBondContact O-N 3.07Å
358F96Very high83.1Confident0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-95.6103.7178.7-59-79.2000110.5F356 I360 M378 I381 L382 L385 N392 I393 V394 F455F356-F358 HydrophobicContact CB-CE2 3.81Å; F356-F358 HydrophobicContact CB-CZ 3.93Å; F358-I360 HydrophobicContact CB-CD1 4.44Å; F358-M378 HydrophobicContact CB-CE 3.76Å; F358-M378 HydrophobicContact CB-SD 4.28Å; F358-M378 HydrophobicContact CD1-CE 3.76Å; F358-M378 HydrophobicContact CD1-SD 4Å; F358-M378 HydrophobicContact CD2-CE 3.97Å; F358-M378 HydrophobicContact CE1-CE 4.4Å; F358-M378 HydrophobicContact CG-CE 3.53Å; F358-M378 HydrophobicContact CG-SD 4.24Å; F358-I381 HydrophobicContact CE1-CD1 3.85Å; F358-I381 HydrophobicContact CE1-CG1 4.38Å; F358-I381 HydrophobicContact CE1-CG2 4Å; F358-I381 HydrophobicContact CZ-CD1 4.45Å; F358-I381 HydrophobicContact CZ-CG2 4.34Å; F358-L382 HydrophobicContact CD2-CD2 4.07Å; F358-L382 HydrophobicContact CE2-CD2 3.79Å; F358-L385 HydrophobicContact CE2-CD1 4.15Å; F358-L385 HydrophobicContact CZ-CD1 4.38Å; F358-L385 HydrophobicContact CZ-CD2 4.37Å; F358-N392 PolarHBondContact N-O 3.17Å; F358-I393 HydrophobicContact CB-CG1 4.47Å; F358-I393 HydrophobicContact CB-CG2 4.49Å; F358-I393 HydrophobicContact CD2-CG1 4.31Å; F358-V394 PolarHBondContact O-N 2.88Å; F358-F455 CarbonylContact C-O 3.51Å; F358-F455 HydrophobicContact CD1-CB 3.57Å; F358-F455 HydrophobicContact CD1-CD2 4.49Å; F358-F455 AromaticContact CD1-CG 4Å; F358-F455 HydrophobicContact CD1-CG 4Å; F358-F455 HydrophobicContact CE1-CB 3.93Å; F358-F455 HydrophobicContact CE1-CD1 4.17Å; F358-F455 HydrophobicContact CE1-CD2 4.08Å; F358-F455 AromaticContact CE1-CG 3.8Å; F358-F455 HydrophobicContact CE1-CG 3.8Å
359L95.3Very high84.4Confident0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-97.3104.8180-177.460.2000109.5V394 F396 P437 L438 I441 L454 F455 L456 L457L359-V394 CarbonylContact C-O 3.6Å; L359-V394 WeakPolarHBondContact CA-O 3.37Å; L359-V394 HydrophobicContact CD1-CB 3.83Å; L359-V394 HydrophobicContact CD1-CG1 3.71Å; L359-F396 HydrophobicContact CD1-CB 4.29Å; L359-F396 HydrophobicContact CD1-CD1 3.4Å; L359-F396 HydrophobicContact CD1-CE1 4.01Å; L359-F396 HydrophobicContact CD1-CG 4.09Å; L359-F396 HydrophobicContact CG-CD1 3.68Å; L359-F396 HydrophobicContact CG-CE1 3.73Å; L359-P437 HydrophobicContact CD1-CB 3.82Å; L359-P437 HydrophobicContact CD1-CG 4.15Å; L359-L438 HydrophobicContact CD2-CD2 3.77Å; L359-L438 HydrophobicContact CD2-CG 4.21Å; L359-I441 HydrophobicContact CD1-CD1 4.33Å; L359-I441 HydrophobicContact CD2-CD1 4.12Å; L359-L454 HydrophobicContact CB-CD1 3.81Å; L359-L454 HydrophobicContact CD2-CD1 4.26Å; L359-F455 PolarHBondContact N-O 2.96Å; L359-L456 HydrophobicContact CB-CD1 4.37Å; L359-L456 HydrophobicContact CD2-CD1 3.99Å; L359-L456 HydrophobicContact CG-CD1 3.96Å; L359-L456 WeakPolarHBondContact O-CA 3.5Å; L359-L457 PolarHBondContact O-N 3.18Å
360I95Very high85.8Confident0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-114123-166.6-61.2166.6000110.7F358 V374 M378 I393 V394 G395 F396 I422 M425F358-I360 HydrophobicContact CB-CD1 4.44Å; I360-V374 HydrophobicContact CG2-CG1 3.76Å; I360-M378 HydrophobicContact CD1-CE 4.17Å; I360-M378 HydrophobicContact CD1-CG 3.77Å; I360-M378 HydrophobicContact CD1-SD 3.86Å; I360-M378 HydrophobicContact CG1-SD 4.45Å; I360-I393 HydrophobicContact CD1-CG2 3.78Å; I360-V394 PolarHBondContact N-O 3.01Å; I360-G395 WeakPolarHBondContact O-CA 3.41Å; I360-F396 WeakPolarHBondContact O-CD1 3.42Å; I360-F396 PolarHBondContact O-N 2.94Å; I360-I422 HydrophobicContact CD1-CD1 3.99Å; I360-M425 HydrophobicContact CD1-CE 4.17Å; I360-M425 HydrophobicContact CD1-SD 4.4Å; I360-M425 HydrophobicContact CG2-SD 3.96Å
361D93.5Very high87.4Confident0 Ų027.4 Ų27.40%017%0.169CC..EExtended strand (participates in β ladder)trans-68.7135.5173.6-163.37.4000111.2S363 M366 F396 L457D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 2.7Å; D361-S363 PolarHBondContact OD1-OG 2.84Å; D361-S363 WeakPolarHBondContact OD2-CB 3.43Å; D361-S363 PolarHBondContact OD2-OG 2.9Å; D361-M366 HydrophobicContact CB-CG 3.96Å; D361-M366 HydrophobicContact CB-SD 4.43Å; D361-M366 WeakPolarHBondContact O-CE 3.4Å; D361-F396 HydrophobicContact CB-CE1 3.89Å; D361-F396 HydrophobicContact CB-CE2 4.04Å; D361-F396 HydrophobicContact CB-CZ 3.54Å; D361-L457 WeakPolarHBondContact CB-O 3.31Å; D361-L457 PolarHBondContact N-O 2.89Å
362R93.6Very high88.7Confident19 Ų1927.8 Ų27.87%0.07217%0.173CC..  trans-131.520.5177.3-65.4175.659.7174.7-1.1111F396 Y421 M425 R426 A427 D428 M429R362-F396 WeakPolarHBondContact CA-O 3.43Å; R362-F396 WeakPolarHBondContact CB-O 3.13Å; R362-F396 PolarHBondContact N-O 3.36Å; R362-Y421 PolarHBondContact NH1-OH 2.59Å; R362-M425 HydrophobicContact CG-CG 4.08Å; R362-M425 HydrophobicContact CG-SD 4.09Å; R362-R426 PolarHBondContact NE-O 2.96Å; R362-R426 PolarHBondContact NH2-O 3.16Å; R362-A427 CarbonylContact O-C 3.6Å; R362-A427 WeakPolarHBondContact O-CA 3.02Å; R362-D428 IonicContact CZ-OD1 2.81Å; R362-D428 IonicContact NE-OD1 2.96Å; R362-D428 PolarHBondContact NE-OD1 3.32Å; R362-D428 VanDerWaalsContact NH2-CG 3.29Å; R362-D428 IonicContact NH2-OD1 3.72Å; R362-D428 PolarHBondContact NH2-OD1 3.31Å; R362-D428 IonicContact NH2-OD2 3.74Å; R362-D428 PolarHBondContact NH2-OD2 3.39Å; R362-D428 VanDerWaalsContact NH2-OD2 3.11Å; R362-D428 PolarHBondContact O-N 3.12Å; R362-D428 VanDerWaalsContact O-N 3.16Å; R362-M429 HydrophobicContact CB-CB 3.96Å; R362-M429 HydrophobicContact CB-CG 3.69Å; R362-M429 HydrophobicContact CB-SD 3.87Å; R362-M429 VanDerWaalsContact CD-SD 3.59Å; R362-M429 HydrophobicContact CG-SD 4.31Å; R362-M429 PolarHBondContact O-N 3.13Å
363S91.3Very high89.8Confident2 Ų230.4 Ų30.41%0.01418%0.181CC..SBendtrans-53163.6164.964.90000112.5D361 S365 M366 A427 G430 G431 T432D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 2.7Å; D361-S363 PolarHBondContact OD1-OG 2.84Å; D361-S363 WeakPolarHBondContact OD2-CB 3.43Å; D361-S363 PolarHBondContact OD2-OG 2.9Å; S363-S365 VanDerWaalsContact C-N 3.28Å; S363-S365 PolarHBondContact O-N 3.05Å; S363-S365 PolarHBondContact OG-OG 2.84Å; S363-S365 VanDerWaalsContact OG-OG 3.06Å; S363-M366 PolarHBondContact O-N 2.86Å; S363-A427 WeakPolarHBondContact O-CB 3.49Å; S363-G430 CarbonylContact C-O 3.47Å; S363-G430 VanDerWaalsContact CA-O 3.27Å; S363-G430 WeakPolarHBondContact CA-O 3.4Å; S363-G431 WeakPolarHBondContact CB-O 3.09Å; S363-T432 VanDerWaalsContact CB-OG1 3.3Å; S363-T432 WeakPolarHBondContact CB-OG1 3.29Å
364G87.8Confident90.6Very high40 Ų4027.7 Ų27.741%0.41217%0.169SC..SBendtrans-64.7-26-178.600000114.8M366 S367 G430G364-M366 VanDerWaalsContact C-N 3.34Å; G364-S367 VanDerWaalsContact O-CB 3.3Å; G364-S367 WeakPolarHBondContact O-CB 3.33Å; G364-S367 PolarHBondContact O-N 2.99Å; G364-S367 PolarHBondContact O-OG 2.89Å; G364-G430 PolarHBondContact N-O 3.09Å
365S87.3Confident90.9Very high61 Ų6129.2 Ų29.243%0.42718%0.176SC..THydrogen-bonded Turntrans-65.6-37.2176.140.50000112.1S363 S367 D459S363-S365 VanDerWaalsContact C-N 3.28Å; S363-S365 PolarHBondContact O-N 3.05Å; S363-S365 PolarHBondContact OG-OG 2.84Å; S363-S365 VanDerWaalsContact OG-OG 3.06Å; S365-S367 PolarHBondContact O-N 3.08Å; S365-D459 VanDerWaalsContact CB-OD1 3.22Å; S365-D459 WeakPolarHBondContact CB-OD1 3.22Å; S365-D459 PolarHBondContact OG-OD1 3.09Å
366M88.4Confident90.7Very high0 Ų033.5 Ų33.50%020%0.199CC..THydrogen-bonded Turntrans-63.5-3.4177-68.3-71.8-73.100113.9D361 S363 G364 N370 I371 V374 A427 D459 I486D361-M366 HydrophobicContact CB-CG 3.96Å; D361-M366 HydrophobicContact CB-SD 4.43Å; D361-M366 WeakPolarHBondContact O-CE 3.4Å; S363-M366 PolarHBondContact O-N 2.86Å; G364-M366 VanDerWaalsContact C-N 3.34Å; M366-N370 HydrophobicContact SD-CB 4.14Å; M366-I371 WeakPolarHBondContact O-CB 3.3Å; M366-I371 WeakPolarHBondContact O-CG2 3.02Å; M366-I371 PolarHBondContact O-N 3.28Å; M366-V374 HydrophobicContact CE-CG2 3.64Å; M366-A427 HydrophobicContact CB-CB 4.25Å; M366-D459 WeakPolarHBondContact CA-OD2 3.46Å; M366-D459 WeakPolarHBondContact CG-OD1 3.45Å; M366-D459 PolarHBondContact N-OD2 2.85Å; M366-D459 VanDerWaalsContact N-OD2 3.13Å; M366-D459 HydrophobicContact SD-CB 3.64Å; M366-I486 HydrophobicContact CE-CD1 4.04Å
367S86.7Confident90.5Very high69 Ų6933.5 Ų33.548%0.48320%0.199SC..THydrogen-bonded Turntrans-65.3161.7-18065.50000113.6G364 S365 L369G364-S367 VanDerWaalsContact O-CB 3.3Å; G364-S367 WeakPolarHBondContact O-CB 3.33Å; G364-S367 PolarHBondContact O-N 2.99Å; G364-S367 PolarHBondContact O-OG 2.89Å; S365-S367 PolarHBondContact O-N 3.08Å; S367-L369 PolarHBondContact O-N 2.97Å
368G87.7Confident90.3Very high50 Ų5033.3 Ų33.352%0.51520%0.198SC..THydrogen-bonded Turntrans66.1-128.4-17500000112.5N370 I371 H372G368-N370 VanDerWaalsContact C-N 3.33Å; G368-N370 PolarHBondContact O-N 3.1Å; G368-I371 WeakPolarHBondContact O-CG2 3.46Å; G368-H372 PolarHBondContact O-CD2 2.98Å
369L87Confident90Very high127 Ų12734.5 Ų34.567%0.66521%0.205SC*.Hα-helixtrans-65.4-30.4-168.6-63.4175.5000113.9S367 H372 R373S367-L369 PolarHBondContact O-N 2.97Å; L369-H372 PolarHBondContact O-N 3.37Å; L369-R373 WeakPolarHBondContact O-CG 3.42Å; L369-R373 PolarHBondContact O-N 3.1Å
370N88.2Confident89.5Confident30 Ų3034.8 Ų34.816%0.1621%0.207CC..Hα-helixtrans-65.6-53.4-175.4-75.9-3.8000111.9M366 G368 H372 R373 V374 D459 I486M366-N370 HydrophobicContact SD-CB 4.14Å; G368-N370 VanDerWaalsContact C-N 3.33Å; G368-N370 PolarHBondContact O-N 3.1Å; N370-H372 PolarHBondContact O-N 3.49Å; N370-R373 PolarHBondContact O-N 3.3Å; N370-V374 WeakPolarHBondContact O-CG2 3.49Å; N370-V374 PolarHBondContact O-N 3.01Å; N370-D459 PolarHBondContact ND2-OD2 2.97Å; N370-I486 HydrophobicContact CB-CG2 4.26Å
371I90.4Very high89.2Confident9 Ų934.8 Ų34.85%0.04621%0.207CC..Hα-helixtrans-64.1-28.5176.9-167.963.6000112.5M366 G368 K375 M425M366-I371 WeakPolarHBondContact O-CB 3.3Å; M366-I371 WeakPolarHBondContact O-CG2 3.02Å; M366-I371 PolarHBondContact O-N 3.28Å; G368-I371 WeakPolarHBondContact O-CG2 3.46Å; I371-K375 WeakPolarHBondContact O-CG 3.46Å; I371-K375 PolarHBondContact O-N 2.93Å; I371-M425 HydrophobicContact CD1-CG 4.18Å; I371-M425 HydrophobicContact CD1-SD 4.08Å
372H89.5Confident88.9Confident106 Ų10634.8 Ų34.849%0.49121%0.207SC..Hα-helixtrans-67.9-50.5172.4-86.3-84.8000111.9G368 L369 N370 V374 K375 D376G368-H372 PolarHBondContact O-CD2 2.98Å; L369-H372 PolarHBondContact O-N 3.37Å; N370-H372 PolarHBondContact O-N 3.49Å; H372-V374 PolarHBondContact O-N 2.89Å; H372-K375 WeakPolarHBondContact O-CB 3.46Å; H372-K375 PolarHBondContact O-N 3.14Å; H372-D376 PolarHBondContact O-N 2.81Å
373R88Confident88.5Confident63 Ų6335.7 Ų35.724%0.23821%0.211CC..Hα-helixtrans-53-41.2173.1-72.5169.9173.9168.5-3.6112L369 N370 A377L369-R373 WeakPolarHBondContact O-CG 3.42Å; L369-R373 PolarHBondContact O-N 3.1Å; N370-R373 PolarHBondContact O-N 3.3Å; R373-A377 WeakPolarHBondContact O-CB 3.4Å; R373-A377 PolarHBondContact O-N 3.39Å; R373-A377 VanDerWaalsContact O-N 3.14Å
374V91.6Very high88.2Confident1 Ų135.8 Ų35.81%0.00621%0.212CC..Hα-helixtrans-65.6-45.4175.6171.10000112.4I360 M366 N370 H372 D376 A377 M378 L457 I486 L515I360-V374 HydrophobicContact CG2-CG1 3.76Å; M366-V374 HydrophobicContact CE-CG2 3.64Å; N370-V374 WeakPolarHBondContact O-CG2 3.49Å; N370-V374 PolarHBondContact O-N 3.01Å; H372-V374 PolarHBondContact O-N 2.89Å; V374-D376 VanDerWaalsContact C-N 3.34Å; V374-D376 PolarHBondContact O-N 3.21Å; V374-A377 PolarHBondContact O-N 3.01Å; V374-M378 HydrophobicContact CG1-CG 3.93Å; V374-M378 VanDerWaalsContact O-CB 3.26Å; V374-M378 WeakPolarHBondContact O-CB 3.19Å; V374-M378 VanDerWaalsContact O-CG 3.27Å; V374-M378 WeakPolarHBondContact O-CG 3.47Å; V374-M378 PolarHBondContact O-N 3.25Å; V374-L457 HydrophobicContact CB-CD2 4.45Å; V374-L457 HydrophobicContact CG1-CD2 3.81Å; V374-L457 HydrophobicContact CG2-CD2 3.98Å; V374-I486 HydrophobicContact CG2-CD1 3.52Å; V374-L515 HydrophobicContact CG2-CD2 4.07Å
375K91.8Very high87.9Confident31 Ų3133.9 Ų33.914%0.13519%0.193CC..Hα-helixtrans-57.3-48.6177.3-76.9178.1-177.6-168.40112.1I371 H372 A377 M378 V379 I422 R423 M425I371-K375 WeakPolarHBondContact O-CG 3.46Å; I371-K375 PolarHBondContact O-N 2.93Å; H372-K375 WeakPolarHBondContact O-CB 3.46Å; H372-K375 PolarHBondContact O-N 3.14Å; K375-A377 VanDerWaalsContact C-N 3.28Å; K375-A377 PolarHBondContact O-N 2.86Å; K375-M378 PolarHBondContact O-N 3.37Å; K375-V379 WeakPolarHBondContact O-CG2 3.42Å; K375-V379 PolarHBondContact O-N 3.08Å; K375-I422 HydrophobicContact CB-CG2 4.05Å; K375-I422 VanDerWaalsContact CE-O 3.23Å; K375-I422 WeakPolarHBondContact CE-O 3.34Å; K375-I422 HydrophobicContact CG-CG2 3.98Å; K375-I422 WeakPolarHBondContact CG-O 3.46Å; K375-R423 PolarHBondContact NZ-O 3.31Å; K375-M425 WeakPolarHBondContact CE-O 3.48Å; K375-M425 PolarHBondContact NZ-O 2.91Å
376D87.7Confident87.5Confident91 Ų9131.4 Ų31.449%0.48718%0.175SC..Hα-helixtrans-66.6-34.3-175.6-58.1-23.6000111H372 V374 V380H372-D376 PolarHBondContact O-N 2.81Å; V374-D376 VanDerWaalsContact C-N 3.34Å; V374-D376 PolarHBondContact O-N 3.21Å; D376-V380 WeakPolarHBondContact O-CG2 3.24Å
377A88.9Confident86.8Confident1 Ų134.3 Ų34.31%0.00819%0.193CC..Hα-helixtrans-75.2-37.2172.800000113.4R373 V374 K375 V380 I381 L515 Q516 M519R373-A377 WeakPolarHBondContact O-CB 3.4Å; R373-A377 PolarHBondContact O-N 3.39Å; R373-A377 VanDerWaalsContact O-N 3.14Å; V374-A377 PolarHBondContact O-N 3.01Å; K375-A377 VanDerWaalsContact C-N 3.28Å; K375-A377 PolarHBondContact O-N 2.86Å; A377-V380 PolarHBondContact O-N 2.83Å; A377-I381 PolarHBondContact O-N 2.89Å; A377-L515 HydrophobicContact CB-CB 4.11Å; A377-L515 HydrophobicContact CB-CD2 4Å; A377-L515 HydrophobicContact CB-CG 3.96Å; A377-Q516 HydrophobicContact CB-CG 4.07Å; A377-M519 HydrophobicContact CB-SD 3.69Å
378M91.5Very high86.3Confident0 Ų032.8 Ų32.80%019%0.189CC..Hα-helixtrans-66.1-37.6178.1-79.9-55.2-48.800112.7F358 I360 V374 K375 V380 I381 L382 I422 M519F358-M378 HydrophobicContact CB-CE 3.76Å; F358-M378 HydrophobicContact CB-SD 4.28Å; F358-M378 HydrophobicContact CD1-CE 3.76Å; F358-M378 HydrophobicContact CD1-SD 4Å; F358-M378 HydrophobicContact CD2-CE 3.97Å; F358-M378 HydrophobicContact CE1-CE 4.4Å; F358-M378 HydrophobicContact CG-CE 3.53Å; F358-M378 HydrophobicContact CG-SD 4.24Å; I360-M378 HydrophobicContact CD1-CE 4.17Å; I360-M378 HydrophobicContact CD1-CG 3.77Å; I360-M378 HydrophobicContact CD1-SD 3.86Å; I360-M378 HydrophobicContact CG1-SD 4.45Å; V374-M378 HydrophobicContact CG1-CG 3.93Å; V374-M378 VanDerWaalsContact O-CB 3.26Å; V374-M378 WeakPolarHBondContact O-CB 3.19Å; V374-M378 VanDerWaalsContact O-CG 3.27Å; V374-M378 WeakPolarHBondContact O-CG 3.47Å; V374-M378 PolarHBondContact O-N 3.25Å; K375-M378 PolarHBondContact O-N 3.37Å; M378-V380 VanDerWaalsContact C-N 3.33Å; M378-I381 HydrophobicContact CE-CG2 4Å; M378-I381 HydrophobicContact SD-CG2 3.95Å; M378-L382 HydrophobicContact CE-CD1 4.01Å; M378-L382 HydrophobicContact CE-CD2 4.17Å; M378-L382 HydrophobicContact CE-CG 3.86Å; M378-L382 VanDerWaalsContact O-CB 3.31Å; M378-L382 WeakPolarHBondContact O-CB 3.42Å; M378-L382 WeakPolarHBondContact O-CD1 3.34Å; M378-L382 WeakPolarHBondContact O-CG 3.18Å; M378-L382 PolarHBondContact O-N 3.41Å; M378-I422 HydrophobicContact CB-CD1 3.84Å; M378-I422 HydrophobicContact CB-CG1 4.11Å; M378-I422 HydrophobicContact CB-CG2 3.94Å; M378-I422 HydrophobicContact CE-CD1 4.38Å; M378-I422 HydrophobicContact CG-CD1 4.07Å; M378-M519 HydrophobicContact SD-CE 3.99Å
379V88.3Confident86.3Confident25 Ų2530.4 Ų30.415%0.15217%0.165CC..Hα-helixtrans-64.3-39.7174.5175.40000111.2K375 K383 I422 L1069K375-V379 WeakPolarHBondContact O-CG2 3.42Å; K375-V379 PolarHBondContact O-N 3.08Å; V379-K383 HydrophobicContact CG1-CD 4.48Å; V379-K383 WeakPolarHBondContact O-CB 3.23Å; V379-K383 WeakPolarHBondContact O-CG 3.44Å; V379-K383 PolarHBondContact O-N 2.99Å; V379-I422 HydrophobicContact CG2-CG2 4.01Å; V379-L1069 HydrophobicContact CG1-CD2 3.6Å
380V85.1Confident86.4Confident6 Ų625 Ų254%0.03614%0.136CC..Hα-helixtrans-70.3-47178.3171.20000111.9D376 A377 M378 K383 S384 Q516 I520 V1065 Q1068D376-V380 WeakPolarHBondContact O-CG2 3.24Å; A377-V380 PolarHBondContact O-N 2.83Å; M378-V380 VanDerWaalsContact C-N 3.33Å; V380-K383 PolarHBondContact O-N 3.48Å; V380-S384 WeakPolarHBondContact O-CB 3.41Å; V380-S384 PolarHBondContact O-N 3Å; V380-S384 PolarHBondContact O-OG 2.99Å; V380-Q516 HydrophobicContact CG2-CG 4.5Å; V380-I520 HydrophobicContact CG1-CD1 4.21Å; V380-I520 HydrophobicContact CG1-CG1 4.35Å; V380-V1065 HydrophobicContact CG2-CG1 4.22Å; V380-Q1068 HydrophobicContact CG1-CB 4.39Å; V380-Q1068 VanDerWaalsContact CG1-OE1 3.27Å
381I88.6Confident86.7Confident0 Ų023.5 Ų23.50%013%0.128CC..Hα-helixtrans-68.4-39.8-178.5-161174.5000112.2F358 A377 M378 K383 S384 L385 F455 M519 L523F358-I381 HydrophobicContact CE1-CD1 3.85Å; F358-I381 HydrophobicContact CE1-CG1 4.38Å; F358-I381 HydrophobicContact CE1-CG2 4Å; F358-I381 HydrophobicContact CZ-CD1 4.45Å; F358-I381 HydrophobicContact CZ-CG2 4.34Å; A377-I381 PolarHBondContact O-N 2.89Å; M378-I381 HydrophobicContact CE-CG2 4Å; M378-I381 HydrophobicContact SD-CG2 3.95Å; I381-K383 PolarHBondContact O-N 3.07Å; I381-S384 CarbonylContact O-C 3.58Å; I381-S384 WeakPolarHBondContact O-CA 3.5Å; I381-S384 WeakPolarHBondContact O-CB 3.36Å; I381-S384 PolarHBondContact O-N 3.35Å; I381-L385 PolarHBondContact O-N 2.8Å; I381-F455 HydrophobicContact CD1-CD1 4.03Å; I381-F455 HydrophobicContact CD1-CE1 3.81Å; I381-M519 HydrophobicContact CD1-CB 4.15Å; I381-M519 HydrophobicContact CD1-CE 3.89Å; I381-M519 HydrophobicContact CG2-CE 4.04Å; I381-L523 HydrophobicContact CD1-CB 4.1Å; I381-L523 HydrophobicContact CD1-CD1 4.16Å; I381-L523 HydrophobicContact CG1-CB 4.28Å; I381-L523 HydrophobicContact CG1-CD1 4.16Å; I381-L523 HydrophobicContact CG1-CD2 3.9Å; I381-L523 HydrophobicContact CG1-CG 4.33Å
382L88.5Confident86.9Confident0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-59.6-48.4176.3-72.4167.4000110.4F358 M378 S384 L385 F391 I393 Y410 L415 A418 I422F358-L382 HydrophobicContact CD2-CD2 4.07Å; F358-L382 HydrophobicContact CE2-CD2 3.79Å; M378-L382 HydrophobicContact CE-CD1 4.01Å; M378-L382 HydrophobicContact CE-CD2 4.17Å; M378-L382 HydrophobicContact CE-CG 3.86Å; M378-L382 VanDerWaalsContact O-CB 3.31Å; M378-L382 WeakPolarHBondContact O-CB 3.42Å; M378-L382 WeakPolarHBondContact O-CD1 3.34Å; M378-L382 WeakPolarHBondContact O-CG 3.18Å; M378-L382 PolarHBondContact O-N 3.41Å; L382-S384 PolarHBondContact O-N 3.32Å; L382-L385 HydrophobicContact CD2-CD1 4.25Å; L382-L385 WeakPolarHBondContact O-CB 3.39Å; L382-L385 WeakPolarHBondContact O-CG 3.47Å; L382-L385 PolarHBondContact O-N 3.14Å; L382-L385 VanDerWaalsContact O-N 3.09Å; L382-F391 HydrophobicContact CD2-CD2 3.76Å; L382-F391 HydrophobicContact CD2-CE2 3.88Å; L382-I393 HydrophobicContact CD1-CD1 3.72Å; L382-I393 HydrophobicContact CD2-CD1 4.01Å; L382-I393 HydrophobicContact CD2-CG1 4.47Å; L382-I393 HydrophobicContact CG-CD1 4.48Å; L382-Y410 WeakPolarHBondContact O-CE2 3.34Å; L382-L415 HydrophobicContact CB-CD1 4.07Å; L382-A418 HydrophobicContact CD1-CB 4.25Å; L382-I422 HydrophobicContact CD1-CG1 4.03Å
383K84.9Confident87.2Confident37 Ų3718.2 Ų18.216%0.16110%0.103CC..Hα-helixtrans-69.3-11.4176.6-68.4-172.3167.1-164.30114V379 V380 I381 L415 Q1068 L1069 K1216V379-K383 HydrophobicContact CG1-CD 4.48Å; V379-K383 WeakPolarHBondContact O-CB 3.23Å; V379-K383 WeakPolarHBondContact O-CG 3.44Å; V379-K383 PolarHBondContact O-N 2.99Å; V380-K383 PolarHBondContact O-N 3.48Å; I381-K383 PolarHBondContact O-N 3.07Å; K383-L415 HydrophobicContact CG-CD1 4.12Å; K383-L415 HydrophobicContact CG-CD2 4.34Å; K383-Q1068 VanDerWaalsContact CB-O 3.31Å; K383-Q1068 WeakPolarHBondContact CB-O 3.37Å; K383-L1069 HydrophobicContact CD-CB 4.4Å; K383-L1069 HydrophobicContact CD-CD2 3.86Å; K383-L1069 WeakPolarHBondContact CD-O 3.33Å; K383-L1069 PolarHBondContact NZ-O 2.92Å; K383-K1216 PolarHBondContact O-NZ 2.84Å
384S83.4Confident87.6Confident5 Ų515.2 Ų15.24%0.0359%0.092CC..THydrogen-bonded Turntrans-88.6-6.6172.2-58.10000113.9V380 I381 L382 I520 K1216V380-S384 WeakPolarHBondContact O-CB 3.41Å; V380-S384 PolarHBondContact O-N 3Å; V380-S384 PolarHBondContact O-OG 2.99Å; I381-S384 CarbonylContact O-C 3.58Å; I381-S384 WeakPolarHBondContact O-CA 3.5Å; I381-S384 WeakPolarHBondContact O-CB 3.36Å; I381-S384 PolarHBondContact O-N 3.35Å; L382-S384 PolarHBondContact O-N 3.32Å; S384-I520 WeakPolarHBondContact OG-CD1 3.41Å; S384-K1216 VanDerWaalsContact C-CE 3.42Å; S384-K1216 WeakPolarHBondContact O-CE 3.1Å
385L83.2Confident87.7Confident0 Ų015.1 Ų15.10%09%0.092CC..SBendtrans-68.7147.2173.8-63.3176.9000112.2F356 F358 I381 L382 F391 Y410 L523 M527 K1216F356-L385 HydrophobicContact CB-CD2 4.27Å; F356-L385 HydrophobicContact CD1-CD2 3.77Å; F356-L385 HydrophobicContact CD2-CD2 4.02Å; F356-L385 HydrophobicContact CE1-CD2 4.09Å; F356-L385 HydrophobicContact CE2-CD2 4.33Å; F356-L385 HydrophobicContact CG-CD2 3.74Å; F356-L385 HydrophobicContact CZ-CD2 4.37Å; F358-L385 HydrophobicContact CE2-CD1 4.15Å; F358-L385 HydrophobicContact CZ-CD1 4.38Å; F358-L385 HydrophobicContact CZ-CD2 4.37Å; I381-L385 PolarHBondContact O-N 2.8Å; L382-L385 HydrophobicContact CD2-CD1 4.25Å; L382-L385 WeakPolarHBondContact O-CB 3.39Å; L382-L385 WeakPolarHBondContact O-CG 3.47Å; L382-L385 PolarHBondContact O-N 3.14Å; L382-L385 VanDerWaalsContact O-N 3.09Å; L385-F391 HydrophobicContact CD1-CB 3.96Å; L385-F391 HydrophobicContact CD1-CG 4.16Å; L385-Y410 HydrophobicContact CB-CD2 3.67Å; L385-Y410 HydrophobicContact CB-CE2 3.75Å; L385-Y410 HydrophobicContact CB-CG 4.25Å; L385-Y410 HydrophobicContact CD1-CD2 4.13Å; L385-Y410 HydrophobicContact CD1-CE2 4.48Å; L385-Y410 WeakPolarHBondContact O-CE1 3.3Å; L385-L523 HydrophobicContact CD2-CD1 3.82Å; L385-M527 HydrophobicContact CD2-CE 3.92Å; L385-K1216 WeakPolarHBondContact O-CE 3.42Å; L385-K1216 PolarHBondContact O-NZ 2.77Å
386V77.1Confident87.8Confident8 Ų813.7 Ų13.75%0.0489%0.085CC..PPolyproline II helixtrans-90.3140.7-177.9-173.90000109.8C389 M527 M1219V386-C389 WeakPolarHBondContact O-CB 3.28Å; V386-C389 PolarHBondContact O-N 3.45Å; V386-C389 PolarHBondContact O-SG 2.95Å; V386-M527 HydrophobicContact CB-CE 4.45Å; V386-M527 HydrophobicContact CG2-CE 4Å; V386-M527 HydrophobicContact CG2-SD 3.96Å; V386-M1219 HydrophobicContact CG1-CE 3.59Å; V386-M1219 HydrophobicContact CG1-SD 3.86Å
387P74.6Confident88Confident61 Ų619.3 Ų9.340%0.3966%0.062SC..THydrogen-bonded Turntrans-54.7139169.9-24.934.9000111.8Y410P387-Y410 HydrophobicContact CB-CD1 4.5Å; P387-Y410 HydrophobicContact CG-CD1 4.2Å; P387-Y410 HydrophobicContact CG-CE1 4.43Å
388G76.8Confident88Confident38 Ų3812.5 Ų12.539%0.3928%0.084SC..THydrogen-bonded Turntrans89.41.3-172.100000114.8H353 H450H353-G388 PolarHBondContact ND1-O 3.23Å; G388-H450 PolarHBondContact O-NE2 2.63Å
389C86.4Confident87.9Confident0 Ų019.5 Ų19.50%012%0.119CC..  trans-87.9152.6162.4-66.80000111.6V352 F356 V386 Y410V352-C389 PolarHBondContact O-SG 3.12Å; F356-C389 HydrophobicContact CD2-CB 4.01Å; F356-C389 HydrophobicContact CE2-CB 3.88Å; V386-C389 WeakPolarHBondContact O-CB 3.28Å; V386-C389 PolarHBondContact O-N 3.45Å; V386-C389 PolarHBondContact O-SG 2.95Å; C389-Y410 PolarHBondContact O-N 3.27Å
390L90.8Very high88.1Confident12 Ų1221.6 Ų21.66%0.06313%0.126CC..EExtended strand (participates in β ladder)trans-96.7149.7168.4-70167.7000109.9G354 E355 F356 Q408 N409 F447 H450G354-L390 PolarHBondContact O-N 2.9Å; E355-L390 CarbonylContact C-O 3.48Å; E355-L390 WeakPolarHBondContact CA-O 3.34Å; E355-L390 HydrophobicContact CB-CB 4.21Å; E355-L390 HydrophobicContact CG-CB 4.11Å; F356-L390 PolarHBondContact N-O 3.11Å; L390-Q408 CarbonylContact C-O 3.6Å; L390-Q408 VanDerWaalsContact CA-O 3.31Å; L390-Q408 WeakPolarHBondContact CA-O 3.49Å; L390-N409 WeakPolarHBondContact CD2-OD1 3.47Å; L390-F447 HydrophobicContact CD1-CB 3.77Å; L390-F447 HydrophobicContact CD1-CD1 3.74Å; L390-F447 HydrophobicContact CD1-CD2 3.64Å; L390-F447 HydrophobicContact CD1-CE1 4.19Å; L390-F447 HydrophobicContact CD1-CE2 4.09Å; L390-F447 HydrophobicContact CD1-CG 3.44Å; L390-F447 VanDerWaalsContact CD1-CG 3.44Å; L390-F447 HydrophobicContact CD1-CZ 4.34Å; L390-H450 HydrophobicContact CD1-CB 4.35Å
391F93.6Very high88.5Confident0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-149.615817481.2-73.2000114.9F356 L382 L385 I393 F404 S407 Q408 Y410 A414 A418F356-F391 HydrophobicContact CB-CB 4.15Å; F356-F391 CarbonylContact O-C 3.53Å; F356-F391 WeakPolarHBondContact O-CA 3.26Å; F356-F391 WeakPolarHBondContact O-CB 3.49Å; L382-F391 HydrophobicContact CD2-CD2 3.76Å; L382-F391 HydrophobicContact CD2-CE2 3.88Å; L385-F391 HydrophobicContact CD1-CB 3.96Å; L385-F391 HydrophobicContact CD1-CG 4.16Å; F391-I393 HydrophobicContact CD2-CG1 4.5Å; F391-F404 HydrophobicContact CE1-CE2 4.45Å; F391-F404 AromaticContact CE2-CE2 3.96Å; F391-F404 HydrophobicContact CE2-CE2 3.96Å; F391-F404 AromaticContact CZ-CE2 3.9Å; F391-F404 HydrophobicContact CZ-CE2 3.9Å; F391-F404 HydrophobicContact CZ-CZ 4.32Å; F391-S407 WeakPolarHBondContact O-CA 3.25Å; F391-Q408 PolarHBondContact N-O 3.43Å; F391-Q408 PolarHBondContact O-N 2.66Å; F391-Y410 HydrophobicContact CE1-CD2 4.47Å; F391-A414 HydrophobicContact CE1-CB 4.16Å; F391-A414 HydrophobicContact CZ-CB 4.23Å; F391-A418 HydrophobicContact CE2-CB 3.73Å; F391-A418 HydrophobicContact CZ-CB 4.04Å
392N94.9Very high88.8Confident3 Ų328.7 Ų28.72%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-149.8159.4169.1-157.1-14.1000110.8F356 F358 F404F356-N392 PolarHBondContact O-N 3.22Å; F358-N392 PolarHBondContact N-O 3.17Å; N392-F404 PolarHBondContact ND2-O 3.03Å; N392-F404 PolarHBondContact OD1-N 2.69Å; N392-F404 VanDerWaalsContact OD1-N 3.14Å
393I95.6Very high89Confident0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-127.2122179.9-52.9178.7000108.6F358 I360 L382 F391 S402 L403 A418 Y421 I422 M425F358-I393 HydrophobicContact CB-CG1 4.47Å; F358-I393 HydrophobicContact CB-CG2 4.49Å; F358-I393 HydrophobicContact CD2-CG1 4.31Å; I360-I393 HydrophobicContact CD1-CG2 3.78Å; L382-I393 HydrophobicContact CD1-CD1 3.72Å; L382-I393 HydrophobicContact CD2-CD1 4.01Å; L382-I393 HydrophobicContact CD2-CG1 4.47Å; L382-I393 HydrophobicContact CG-CD1 4.48Å; F391-I393 HydrophobicContact CD2-CG1 4.5Å; I393-S402 CarbonylContact O-C 3.53Å; I393-S402 WeakPolarHBondContact O-CA 3.4Å; I393-L403 HydrophobicContact CB-CB 4.15Å; I393-L403 HydrophobicContact CB-CD2 4.38Å; I393-L403 HydrophobicContact CD1-CD2 4.04Å; I393-L403 HydrophobicContact CG1-CD2 4.31Å; I393-L403 PolarHBondContact O-N 2.76Å; I393-A418 HydrophobicContact CD1-CB 3.93Å; I393-Y421 HydrophobicContact CB-CE1 4.44Å; I393-Y421 HydrophobicContact CG2-CD1 4.22Å; I393-Y421 HydrophobicContact CG2-CE1 4Å; I393-I422 HydrophobicContact CD1-CD1 4.13Å; I393-I422 HydrophobicContact CD1-CG1 4.15Å; I393-I422 HydrophobicContact CG2-CD1 4.18Å; I393-M425 HydrophobicContact CG2-CE 4.36Å
394V95.6Very high89.4Confident0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-117.4111.2-179.6-174.30000108.9I357 F358 L359 I360 F400 P437 W440I357-V394 HydrophobicContact CG2-CG2 4.23Å; F358-V394 PolarHBondContact O-N 2.88Å; L359-V394 CarbonylContact C-O 3.6Å; L359-V394 WeakPolarHBondContact CA-O 3.37Å; L359-V394 HydrophobicContact CD1-CB 3.83Å; L359-V394 HydrophobicContact CD1-CG1 3.71Å; I360-V394 PolarHBondContact N-O 3.01Å; V394-F400 HydrophobicContact CG1-CB 4.39Å; V394-F400 HydrophobicContact CG1-CD2 4.11Å; V394-P437 HydrophobicContact CG1-CB 4.15Å; V394-W440 HydrophobicContact CG2-CZ3 4Å
395G94.4Very high89.6Confident0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-84.4135.2168.700000109.9I360 F400 K401I360-G395 WeakPolarHBondContact O-CA 3.41Å; G395-F400 CarbonylContact O-C 3.34Å; G395-F400 VanDerWaalsContact O-CA 3.31Å; G395-F400 WeakPolarHBondContact O-CA 3.27Å; G395-K401 PolarHBondContact N-O 3.22Å; G395-K401 PolarHBondContact O-N 3.44Å
396F94.1Very high89.9Confident0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-132166.1177.775.1-82.7000113.4L359 I360 D361 R362 M399 F400 T432 M434 P437 L456L359-F396 HydrophobicContact CD1-CB 4.29Å; L359-F396 HydrophobicContact CD1-CD1 3.4Å; L359-F396 HydrophobicContact CD1-CE1 4.01Å; L359-F396 HydrophobicContact CD1-CG 4.09Å; L359-F396 HydrophobicContact CG-CD1 3.68Å; L359-F396 HydrophobicContact CG-CE1 3.73Å; I360-F396 WeakPolarHBondContact O-CD1 3.42Å; I360-F396 PolarHBondContact O-N 2.94Å; D361-F396 HydrophobicContact CB-CE1 3.89Å; D361-F396 HydrophobicContact CB-CE2 4.04Å; D361-F396 HydrophobicContact CB-CZ 3.54Å; R362-F396 WeakPolarHBondContact CA-O 3.43Å; R362-F396 WeakPolarHBondContact CB-O 3.13Å; R362-F396 PolarHBondContact N-O 3.36Å; F396-M399 CarbonylContact C-O 3.45Å; F396-M399 WeakPolarHBondContact CA-O 3.23Å; F396-F400 HydrophobicContact CB-CB 3.98Å; F396-T432 HydrophobicContact CD2-CG2 4.5Å; F396-T432 HydrophobicContact CE2-CG2 3.74Å; F396-M434 HydrophobicContact CD2-CG 4.14Å; F396-M434 HydrophobicContact CE2-CE 3.99Å; F396-M434 HydrophobicContact CE2-CG 3.43Å; F396-M434 VanDerWaalsContact CE2-CG 3.43Å; F396-M434 HydrophobicContact CE2-SD 4.45Å; F396-M434 HydrophobicContact CZ-CE 3.88Å; F396-M434 HydrophobicContact CZ-CG 3.87Å; F396-M434 HydrophobicContact CZ-SD 4.42Å; F396-P437 HydrophobicContact CB-CG 3.95Å; F396-P437 HydrophobicContact CG-CG 4.34Å; F396-L456 HydrophobicContact CE1-CD1 3.78Å; F396-L456 HydrophobicContact CZ-CD1 3.82Å
397G90.5Very high90.7Very high0 Ų038.2 Ų38.20%022%0.218CC..SBendtrans-174.8-130.1178.900000107.6M399 G431 N433G397-M399 CarbonylContact C-O 3.54Å; G397-M399 PolarHBondContact N-O 2.78Å; G397-M399 PolarHBondContact O-N 3.31Å; G397-G431 CarbonylContact C-O 3.46Å; G397-G431 WeakPolarHBondContact CA-O 3.44Å; G397-N433 WeakPolarHBondContact O-CB 3.47Å; G397-N433 PolarHBondContact O-N 3.15Å
398S89.1Confident91.5Very high68 Ų6839.2 Ų39.248%0.47622%0.217SC..SBendtrans-65.3-27.8167.1-69.30000112.9M429 G431S398-M429 WeakPolarHBondContact CB-O 3.07Å; S398-M429 PolarHBondContact N-O 3.02Å; S398-G431 PolarHBondContact N-O 3.41Å; S398-G431 PolarHBondContact OG-N 3.22Å
399M90Very high92.1Very high147 Ų14741.2 Ų41.272%0.72422%0.219SC*.SBendtrans-121173.8169.3-57.7-169-60.500109.2F396 G397 M429F396-M399 CarbonylContact C-O 3.45Å; F396-M399 WeakPolarHBondContact CA-O 3.23Å; G397-M399 CarbonylContact C-O 3.54Å; G397-M399 PolarHBondContact N-O 2.78Å; G397-M399 PolarHBondContact O-N 3.31Å; M399-M429 WeakPolarHBondContact O-CE 3.45Å
400F93.3Very high92.1Very high68 Ų6842 Ų4230%0.29822%0.222SC..EExtended strand (participates in β ladder)trans-128.1158.3170.173.9-85.3000111.9V394 G395 F396 A436 P437 W440V394-F400 HydrophobicContact CG1-CB 4.39Å; V394-F400 HydrophobicContact CG1-CD2 4.11Å; G395-F400 CarbonylContact O-C 3.34Å; G395-F400 VanDerWaalsContact O-CA 3.31Å; G395-F400 WeakPolarHBondContact O-CA 3.27Å; F396-F400 HydrophobicContact CB-CB 3.98Å; F400-A436 HydrophobicContact CD1-CB 4.01Å; F400-A436 HydrophobicContact CE1-CB 4.04Å; F400-P437 HydrophobicContact CB-CB 3.82Å; F400-P437 HydrophobicContact CB-CG 4.15Å; F400-P437 HydrophobicContact CD1-CB 4.22Å; F400-P437 HydrophobicContact CD2-CB 4.08Å; F400-P437 HydrophobicContact CG-CB 3.78Å; F400-P437 HydrophobicContact CG-CG 4.42Å; F400-W440 HydrophobicContact CE1-CB 4.48Å; F400-W440 HydrophobicContact CE2-CB 3.85Å; F400-W440 AromaticContact CE2-CD2 3.81Å; F400-W440 HydrophobicContact CE2-CD2 3.81Å; F400-W440 HydrophobicContact CE2-CE3 4.15Å; F400-W440 AromaticContact CE2-CG 3.64Å; F400-W440 HydrophobicContact CE2-CG 3.64Å; F400-W440 HydrophobicContact CZ-CB 3.59Å; F400-W440 HydrophobicContact CZ-CD2 4.34Å; F400-W440 AromaticContact CZ-CG 3.68Å; F400-W440 HydrophobicContact CZ-CG 3.68Å
401K93.4Very high91.9Very high128 Ų12846.8 Ų46.856%0.55724%0.244SC*.EExtended strand (participates in β ladder)trans-148.2119.3175.6176.3169.2-180174.40110.4G395 M429G395-K401 PolarHBondContact N-O 3.22Å; G395-K401 PolarHBondContact O-N 3.44Å; K401-M429 HydrophobicContact CB-CE 4.3Å
402S93.9Very high91.5Very high27 Ų2753 Ų5319%0.18927%0.273CS..EExtended strand (participates in β ladder)trans-75.9157.5166.562.80000111.8I393 F404I393-S402 CarbonylContact O-C 3.53Å; I393-S402 WeakPolarHBondContact O-CA 3.4Å; S402-F404 VanDerWaalsContact CB-O 3.24Å; S402-F404 WeakPolarHBondContact CB-O 3.15Å; S402-F404 PolarHBondContact OG-O 2.77Å
403L93.8Very high91.2Very high44 Ų4460.2 Ų60.223%0.2331%0.307CS..SBendtrans-76.6-47.1168.2173.858.6000110.3I393 A418 Y421I393-L403 HydrophobicContact CB-CB 4.15Å; I393-L403 HydrophobicContact CB-CD2 4.38Å; I393-L403 HydrophobicContact CD1-CD2 4.04Å; I393-L403 HydrophobicContact CG1-CD2 4.31Å; I393-L403 PolarHBondContact O-N 2.76Å; L403-A418 HydrophobicContact CD2-CB 3.78Å; L403-Y421 HydrophobicContact CB-CD1 4.09Å; L403-Y421 HydrophobicContact CB-CE1 4.16Å; L403-Y421 HydrophobicContact CD1-CD1 4.08Å; L403-Y421 HydrophobicContact CD1-CD2 4.25Å; L403-Y421 HydrophobicContact CD1-CG 3.81Å; L403-Y421 HydrophobicContact CD2-CD1 4.21Å; L403-Y421 HydrophobicContact CG-CD1 4.36Å
404F92.7Very high90.9Very high22 Ų2260.8 Ų60.810%0.09631%0.311CS..SBendtrans-115.5149.6178.1-49.4-59.5000111.1F391 N392 S402 T406 Q408 A414F391-F404 HydrophobicContact CE1-CE2 4.45Å; F391-F404 AromaticContact CE2-CE2 3.96Å; F391-F404 HydrophobicContact CE2-CE2 3.96Å; F391-F404 AromaticContact CZ-CE2 3.9Å; F391-F404 HydrophobicContact CZ-CE2 3.9Å; F391-F404 HydrophobicContact CZ-CZ 4.32Å; N392-F404 PolarHBondContact ND2-O 3.03Å; N392-F404 PolarHBondContact OD1-N 2.69Å; N392-F404 VanDerWaalsContact OD1-N 3.14Å; S402-F404 VanDerWaalsContact CB-O 3.24Å; S402-F404 WeakPolarHBondContact CB-O 3.15Å; S402-F404 PolarHBondContact OG-O 2.77Å; F404-T406 WeakPolarHBondContact CB-O 3.08Å; F404-Q408 HydrophobicContact CB-CG 3.96Å; F404-Q408 HydrophobicContact CD1-CG 3.89Å; F404-Q408 HydrophobicContact CD2-CB 4.04Å; F404-Q408 HydrophobicContact CD2-CG 3.67Å; F404-Q408 HydrophobicContact CE1-CG 4.27Å; F404-Q408 HydrophobicContact CE2-CB 4.09Å; F404-Q408 HydrophobicContact CE2-CG 4.07Å; F404-Q408 HydrophobicContact CG-CB 4.44Å; F404-Q408 HydrophobicContact CG-CG 3.58Å; F404-Q408 HydrophobicContact CZ-CG 4.36Å; F404-A414 HydrophobicContact CZ-CB 4.26Å
405T88.3Confident90.6Very high118 Ų11861 Ų6172%0.72431%0.313SS*.SBendtrans-64.5-44175.9-49.40000111.3W440 Q444T405-W440 WeakPolarHBondContact O-CZ2 3.5Å; T405-Q444 PolarHBondContact O-OE1 2.79Å
406T89.4Confident90.3Very high59 Ų5963.8 Ų63.836%0.36234%0.335SS..SBendtrans-125.1154.4170.454.80000108.5F404 Q408F404-T406 WeakPolarHBondContact CB-O 3.08Å; T406-Q408 PolarHBondContact O-NE2 3.32Å
407S92.6Very high90.3Very high8 Ų869 Ų696%0.05636%0.36CS..  trans-56.9143.2175.8-55.70000111.7E355 F391E355-S407 WeakPolarHBondContact OE1-CB 3.31Å; E355-S407 PolarHBondContact OE1-OG 2.77Å; F391-S407 WeakPolarHBondContact O-CA 3.25Å
408Q91.4Very high90.4Very high82 Ų8269 Ų6938%0.38336%0.36SS..EExtended strand (participates in β ladder)trans-115.5156.6-173.8-65.2-60.9-46.300111L390 F391 F404 T406L390-Q408 CarbonylContact C-O 3.6Å; L390-Q408 VanDerWaalsContact CA-O 3.31Å; L390-Q408 WeakPolarHBondContact CA-O 3.49Å; F391-Q408 PolarHBondContact N-O 3.43Å; F391-Q408 PolarHBondContact O-N 2.66Å; F404-Q408 HydrophobicContact CB-CG 3.96Å; F404-Q408 HydrophobicContact CD1-CG 3.89Å; F404-Q408 HydrophobicContact CD2-CB 4.04Å; F404-Q408 HydrophobicContact CD2-CG 3.67Å; F404-Q408 HydrophobicContact CE1-CG 4.27Å; F404-Q408 HydrophobicContact CE2-CB 4.09Å; F404-Q408 HydrophobicContact CE2-CG 4.07Å; F404-Q408 HydrophobicContact CG-CB 4.44Å; F404-Q408 HydrophobicContact CG-CG 3.58Å; F404-Q408 HydrophobicContact CZ-CG 4.36Å; T406-Q408 PolarHBondContact O-NE2 3.32Å
409N89.7Confident90.5Very high80 Ų8066 Ų6643%0.42834%0.339SS..EExtended strand (participates in β ladder)trans-59.5149.8172.3-69.2-20.5000111.5L390 E411L390-N409 WeakPolarHBondContact CD2-OD1 3.47Å; N409-E411 VanDerWaalsContact C-N 3.29Å; N409-E411 HydrophobicContact CB-CG 3.87Å; N409-E411 VanDerWaalsContact CB-OE1 3.24Å; N409-E411 WeakPolarHBondContact CB-OE1 3.34Å; N409-E411 PolarHBondContact ND2-OE1 3.08Å; N409-E411 PolarHBondContact O-N 3.16Å
410Y87.6Confident90.7Very high17 Ų1761.6 Ų61.67%0.06732%0.318CS..  trans-7184.7166.1-172.7-97.1000111.2L382 L385 P387 C389 F391 L415L382-Y410 WeakPolarHBondContact O-CE2 3.34Å; L385-Y410 HydrophobicContact CB-CD2 3.67Å; L385-Y410 HydrophobicContact CB-CE2 3.75Å; L385-Y410 HydrophobicContact CB-CG 4.25Å; L385-Y410 HydrophobicContact CD1-CD2 4.13Å; L385-Y410 HydrophobicContact CD1-CE2 4.48Å; L385-Y410 WeakPolarHBondContact O-CE1 3.3Å; P387-Y410 HydrophobicContact CB-CD1 4.5Å; P387-Y410 HydrophobicContact CG-CD1 4.2Å; P387-Y410 HydrophobicContact CG-CE1 4.43Å; C389-Y410 PolarHBondContact O-N 3.27Å; F391-Y410 HydrophobicContact CE1-CD2 4.47Å; Y410-L415 HydrophobicContact CE2-CD1 4.03Å; Y410-L415 HydrophobicContact CE2-CD2 4.19Å; Y410-L415 WeakPolarHBondContact OH-CD2 3.45Å
411E86.9Confident90.7Very high111 Ų11160 Ų6052%0.51931%0.31SS..  trans-120.3155.1176.9-69.1173.7-149.900110.7N409 E413 A414 L415N409-E411 VanDerWaalsContact C-N 3.29Å; N409-E411 HydrophobicContact CB-CG 3.87Å; N409-E411 VanDerWaalsContact CB-OE1 3.24Å; N409-E411 WeakPolarHBondContact CB-OE1 3.34Å; N409-E411 PolarHBondContact ND2-OE1 3.08Å; N409-E411 PolarHBondContact O-N 3.16Å; E411-E413 VanDerWaalsContact C-N 3.34Å; E411-E413 PolarHBondContact O-N 3.38Å; E411-A414 PolarHBondContact O-N 3.21Å; E411-L415 WeakPolarHBondContact O-CB 3.4Å; E411-L415 PolarHBondContact O-N 3.04Å
412E84.6Confident90.7Very high131 Ų13153.9 Ų53.961%0.61228%0.284SS*.Hα-helixtrans-63.8-35.7-171.8-174.8159-12100113.2L415 A416 S1071E412-L415 PolarHBondContact O-N 2.85Å; E412-A416 WeakPolarHBondContact O-CB 3.44Å; E412-A416 PolarHBondContact O-N 3.44Å; E412-S1071 VanDerWaalsContact OE1-CB 3.29Å; E412-S1071 WeakPolarHBondContact OE1-CB 3.17Å; E412-S1071 PolarHBondContact OE1-OG 2.55Å
413E88.2Confident90.6Very high154 Ų15459.6 Ų59.672%0.7230%0.301SS*.Hα-helixtrans-67.4-42.3175.3-62.3-165.7-179.500112.3E411 A416 Q417E411-E413 VanDerWaalsContact C-N 3.34Å; E411-E413 PolarHBondContact O-N 3.38Å; E413-A416 PolarHBondContact O-N 3.19Å; E413-Q417 WeakPolarHBondContact O-CG 3.1Å; E413-Q417 PolarHBondContact O-N 3.45Å; E413-Q417 PolarHBondContact O-NE2 2.73Å
414A89.3Confident90.5Very high12 Ų1264.2 Ų64.210%0.09932%0.319CS..Hα-helixtrans-66.3-40.3176.500000111.4F391 F404 E411 Q417 A418F391-A414 HydrophobicContact CE1-CB 4.16Å; F391-A414 HydrophobicContact CZ-CB 4.23Å; F404-A414 HydrophobicContact CZ-CB 4.26Å; E411-A414 PolarHBondContact O-N 3.21Å; A414-Q417 PolarHBondContact O-N 3.11Å; A414-A418 VanDerWaalsContact O-CB 3.31Å; A414-A418 WeakPolarHBondContact O-CB 3.42Å; A414-A418 PolarHBondContact O-N 2.67Å
415L89.3Confident90.4Very high6 Ų663.2 Ų63.23%0.03132%0.315CS..Hα-helixtrans-63.1-42.6173.7176.862.8000111.9L382 K383 Y410 E411 E412 A418 C419L382-L415 HydrophobicContact CB-CD1 4.07Å; K383-L415 HydrophobicContact CG-CD1 4.12Å; K383-L415 HydrophobicContact CG-CD2 4.34Å; Y410-L415 HydrophobicContact CE2-CD1 4.03Å; Y410-L415 HydrophobicContact CE2-CD2 4.19Å; Y410-L415 WeakPolarHBondContact OH-CD2 3.45Å; E411-L415 WeakPolarHBondContact O-CB 3.4Å; E411-L415 PolarHBondContact O-N 3.04Å; E412-L415 PolarHBondContact O-N 2.85Å; L415-A418 PolarHBondContact O-N 3.05Å; L415-C419 WeakPolarHBondContact O-CB 3.46Å; L415-C419 PolarHBondContact O-N 3.5Å; L415-C419 PolarHBondContact O-SG 2.89Å; L415-C419 VanDerWaalsContact O-SG 3.38Å
416A89.3Confident90.6Very high57 Ų5766 Ų6647%0.47131%0.312SS..Hα-helixtrans-61.8-47.1176.800000111.3E412 E413 A418 C419 D420E412-A416 WeakPolarHBondContact O-CB 3.44Å; E412-A416 PolarHBondContact O-N 3.44Å; E413-A416 PolarHBondContact O-N 3.19Å; A416-A418 VanDerWaalsContact C-N 3.33Å; A416-A418 PolarHBondContact O-N 3.26Å; A416-C419 PolarHBondContact O-N 2.82Å; A416-D420 PolarHBondContact O-N 2.66Å
417Q93.1Very high90.7Very high109 Ų10964.4 Ų64.451%0.50931%0.305SS..Hα-helixtrans-58.7-43174-69.617555.300111.9E413 A414 D420 Y421E413-Q417 WeakPolarHBondContact O-CG 3.1Å; E413-Q417 PolarHBondContact O-N 3.45Å; E413-Q417 PolarHBondContact O-NE2 2.73Å; A414-Q417 PolarHBondContact O-N 3.11Å; Q417-D420 PolarHBondContact O-N 2.77Å; Q417-Y421 PolarHBondContact O-N 3.04Å
418A93.1Very high90.6Very high0 Ų068.8 Ų68.80%033%0.328CS..Hα-helixtrans-65.3-4617800000113.1L382 F391 I393 L403 A414 L415 A416 D420 Y421 I422L382-A418 HydrophobicContact CD1-CB 4.25Å; F391-A418 HydrophobicContact CE2-CB 3.73Å; F391-A418 HydrophobicContact CZ-CB 4.04Å; I393-A418 HydrophobicContact CD1-CB 3.93Å; L403-A418 HydrophobicContact CD2-CB 3.78Å; A414-A418 VanDerWaalsContact O-CB 3.31Å; A414-A418 WeakPolarHBondContact O-CB 3.42Å; A414-A418 PolarHBondContact O-N 2.67Å; L415-A418 PolarHBondContact O-N 3.05Å; A416-A418 VanDerWaalsContact C-N 3.33Å; A416-A418 PolarHBondContact O-N 3.26Å; A418-D420 VanDerWaalsContact C-N 3.28Å; A418-D420 PolarHBondContact O-N 2.88Å; A418-Y421 PolarHBondContact O-N 3.01Å; A418-I422 WeakPolarHBondContact O-CG1 3.44Å; A418-I422 PolarHBondContact O-N 2.99Å
419C91.3Very high90.4Very high5 Ų566.2 Ų66.23%0.03432%0.316CS..Hα-helixtrans-58.3-41.4174-73.70000111.4L415 A416 I422 R423L415-C419 WeakPolarHBondContact O-CB 3.46Å; L415-C419 PolarHBondContact O-N 3.5Å; L415-C419 PolarHBondContact O-SG 2.89Å; L415-C419 VanDerWaalsContact O-SG 3.38Å; A416-C419 PolarHBondContact O-N 2.82Å; C419-I422 PolarHBondContact O-N 3.18Å; C419-R423 WeakPolarHBondContact O-CB 3.44Å; C419-R423 WeakPolarHBondContact O-CD 3.18Å; C419-R423 WeakPolarHBondContact O-CG 3.16Å; C419-R423 PolarHBondContact O-N 2.96Å
420D93.1Very high90.2Very high55 Ų5564.4 Ų64.429%0.29432%0.317SS..Hα-helixtrans-68.9-35177.5-110.436.8000113.5A416 Q417 A418 R423 K424A416-D420 PolarHBondContact O-N 2.66Å; Q417-D420 PolarHBondContact O-N 2.77Å; A418-D420 VanDerWaalsContact C-N 3.28Å; A418-D420 PolarHBondContact O-N 2.88Å; D420-R423 IonicContact OD1-CZ 3.78Å; D420-R423 IonicContact OD1-NH1 2.73Å; D420-R423 PolarHBondContact OD1-NH1 3.31Å; D420-K424 WeakPolarHBondContact O-CB 3.26Å; D420-K424 VanDerWaalsContact O-CD 3.27Å; D420-K424 WeakPolarHBondContact O-CD 3.34Å; D420-K424 WeakPolarHBondContact O-CG 3.29Å; D420-K424 PolarHBondContact O-N 3.25Å; D420-K424 VanDerWaalsContact O-N 3.13Å; D420-K424 WeakPolarHBondContact OD2-CE 3.31Å; D420-K424 IonicContact OD2-NZ 2.64Å; D420-K424 PolarHBondContact OD2-NZ 3.23Å
421Y93.7Very high90.2Very high34 Ų3465.2 Ų65.213%0.13333%0.33CS..Hα-helixtrans-64-47.5171.5-178.7-119.1000111.8R362 I393 L403 Q417 A418 K424 M425R362-Y421 PolarHBondContact NH1-OH 2.59Å; I393-Y421 HydrophobicContact CB-CE1 4.44Å; I393-Y421 HydrophobicContact CG2-CD1 4.22Å; I393-Y421 HydrophobicContact CG2-CE1 4Å; L403-Y421 HydrophobicContact CB-CD1 4.09Å; L403-Y421 HydrophobicContact CB-CE1 4.16Å; L403-Y421 HydrophobicContact CD1-CD1 4.08Å; L403-Y421 HydrophobicContact CD1-CD2 4.25Å; L403-Y421 HydrophobicContact CD1-CG 3.81Å; L403-Y421 HydrophobicContact CD2-CD1 4.21Å; L403-Y421 HydrophobicContact CG-CD1 4.36Å; Q417-Y421 PolarHBondContact O-N 3.04Å; A418-Y421 PolarHBondContact O-N 3.01Å; Y421-K424 PolarHBondContact O-N 2.75Å; Y421-M425 HydrophobicContact CD1-CE 4.03Å; Y421-M425 HydrophobicContact CE1-CE 3.6Å; Y421-M425 PolarHBondContact O-N 3.43Å
422I93.6Very high90.1Very high0 Ų061.6 Ų61.60%032%0.316CS..Hα-helixtrans-59.7-47.2176.3-67.4-61.5000111.2I360 K375 M378 V379 L382 I393 A418 C419 K424 M425I360-I422 HydrophobicContact CD1-CD1 3.99Å; K375-I422 HydrophobicContact CB-CG2 4.05Å; K375-I422 VanDerWaalsContact CE-O 3.23Å; K375-I422 WeakPolarHBondContact CE-O 3.34Å; K375-I422 HydrophobicContact CG-CG2 3.98Å; K375-I422 WeakPolarHBondContact CG-O 3.46Å; M378-I422 HydrophobicContact CB-CD1 3.84Å; M378-I422 HydrophobicContact CB-CG1 4.11Å; M378-I422 HydrophobicContact CB-CG2 3.94Å; M378-I422 HydrophobicContact CE-CD1 4.38Å; M378-I422 HydrophobicContact CG-CD1 4.07Å; V379-I422 HydrophobicContact CG2-CG2 4.01Å; L382-I422 HydrophobicContact CD1-CG1 4.03Å; I393-I422 HydrophobicContact CD1-CD1 4.13Å; I393-I422 HydrophobicContact CD1-CG1 4.15Å; I393-I422 HydrophobicContact CG2-CD1 4.18Å; A418-I422 WeakPolarHBondContact O-CG1 3.44Å; A418-I422 PolarHBondContact O-N 2.99Å; C419-I422 PolarHBondContact O-N 3.18Å; I422-K424 VanDerWaalsContact C-N 3.29Å; I422-K424 PolarHBondContact O-N 3.21Å; I422-M425 HydrophobicContact CD1-CE 3.76Å; I422-M425 HydrophobicContact CD1-SD 4.42Å; I422-M425 VanDerWaalsContact O-CB 3.24Å; I422-M425 WeakPolarHBondContact O-CB 3.25Å; I422-M425 PolarHBondContact O-N 3.13Å
423R91.4Very high90.2Very high148 Ų14858.2 Ų58.256%0.55830%0.302SS*.Hα-helixtrans-53.7-45.3175.5-73.3163.9-177153.1-1.6111.9K375 C419 D420K375-R423 PolarHBondContact NZ-O 3.31Å; C419-R423 WeakPolarHBondContact O-CB 3.44Å; C419-R423 WeakPolarHBondContact O-CD 3.18Å; C419-R423 WeakPolarHBondContact O-CG 3.16Å; C419-R423 PolarHBondContact O-N 2.96Å; D420-R423 IonicContact OD1-CZ 3.78Å; D420-R423 IonicContact OD1-NH1 2.73Å; D420-R423 PolarHBondContact OD1-NH1 3.31Å
424K92.4Very high90.2Very high140 Ų14050.9 Ų50.961%0.60927%0.267SS*.Hα-helixtrans-79-15-176.8-67.3164.2-163.9163.50114D420 Y421 I422D420-K424 WeakPolarHBondContact O-CB 3.26Å; D420-K424 VanDerWaalsContact O-CD 3.27Å; D420-K424 WeakPolarHBondContact O-CD 3.34Å; D420-K424 WeakPolarHBondContact O-CG 3.29Å; D420-K424 PolarHBondContact O-N 3.25Å; D420-K424 VanDerWaalsContact O-N 3.13Å; D420-K424 WeakPolarHBondContact OD2-CE 3.31Å; D420-K424 IonicContact OD2-NZ 2.64Å; D420-K424 PolarHBondContact OD2-NZ 3.23Å; Y421-K424 PolarHBondContact O-N 2.75Å; I422-K424 VanDerWaalsContact C-N 3.29Å; I422-K424 PolarHBondContact O-N 3.21Å
425M91.4Very high90.2Very high2 Ų252.6 Ų52.61%0.0128%0.275CS..  trans-57.2145.8-178.3-166.7174.5-77.800113I360 R362 I371 K375 I393 Y421 I422I360-M425 HydrophobicContact CD1-CE 4.17Å; I360-M425 HydrophobicContact CD1-SD 4.4Å; I360-M425 HydrophobicContact CG2-SD 3.96Å; R362-M425 HydrophobicContact CG-CG 4.08Å; R362-M425 HydrophobicContact CG-SD 4.09Å; I371-M425 HydrophobicContact CD1-CG 4.18Å; I371-M425 HydrophobicContact CD1-SD 4.08Å; K375-M425 WeakPolarHBondContact CE-O 3.48Å; K375-M425 PolarHBondContact NZ-O 2.91Å; I393-M425 HydrophobicContact CG2-CE 4.36Å; Y421-M425 HydrophobicContact CD1-CE 4.03Å; Y421-M425 HydrophobicContact CE1-CE 3.6Å; Y421-M425 PolarHBondContact O-N 3.43Å; I422-M425 HydrophobicContact CD1-CE 3.76Å; I422-M425 HydrophobicContact CD1-SD 4.42Å; I422-M425 VanDerWaalsContact O-CB 3.24Å; I422-M425 WeakPolarHBondContact O-CB 3.25Å; I422-M425 PolarHBondContact O-N 3.13Å
426R91.8Very high90.3Very high175 Ų17554.1 Ų54.166%0.6629%0.289SS*.  trans-142.7161.3176.2-64.5-177.3-177.6-90.1-1.7110.7R362 D428R362-R426 PolarHBondContact NE-O 2.96Å; R362-R426 PolarHBondContact NH2-O 3.16Å; R426-D428 VanDerWaalsContact C-N 3.26Å; R426-D428 HydrophobicContact CB-CB 4.21Å; R426-D428 PolarHBondContact O-N 3.21Å; R426-D428 VanDerWaalsContact O-N 3.12Å
427A90.5Very high90.4Very high26 Ų2651.5 Ų51.522%0.21527%0.266CS..SBendtrans-81.172.2170.200000109.6R362 S363 M366R362-A427 CarbonylContact O-C 3.6Å; R362-A427 WeakPolarHBondContact O-CA 3.02Å; S363-A427 WeakPolarHBondContact O-CB 3.49Å; M366-A427 HydrophobicContact CB-CB 4.25Å
428D90.1Very high90.4Very high100 Ų10046.5 Ų46.554%0.53524%0.243SC..  trans-127.36.1-168.759.11.7000113.5R362 R426R362-D428 IonicContact CZ-OD1 2.81Å; R362-D428 IonicContact NE-OD1 2.96Å; R362-D428 PolarHBondContact NE-OD1 3.32Å; R362-D428 VanDerWaalsContact NH2-CG 3.29Å; R362-D428 IonicContact NH2-OD1 3.72Å; R362-D428 PolarHBondContact NH2-OD1 3.31Å; R362-D428 IonicContact NH2-OD2 3.74Å; R362-D428 PolarHBondContact NH2-OD2 3.39Å; R362-D428 VanDerWaalsContact NH2-OD2 3.11Å; R362-D428 PolarHBondContact O-N 3.12Å; R362-D428 VanDerWaalsContact O-N 3.16Å; R426-D428 VanDerWaalsContact C-N 3.26Å; R426-D428 HydrophobicContact CB-CB 4.21Å; R426-D428 PolarHBondContact O-N 3.21Å; R426-D428 VanDerWaalsContact O-N 3.12Å
429M87.6Confident90.3Very high28 Ų2848.4 Ų48.414%0.13826%0.255CS..SBendtrans-97.55-171.6-59.6-165.671.600114.6R362 S398 M399 K401R362-M429 HydrophobicContact CB-CB 3.96Å; R362-M429 HydrophobicContact CB-CG 3.69Å; R362-M429 HydrophobicContact CB-SD 3.87Å; R362-M429 VanDerWaalsContact CD-SD 3.59Å; R362-M429 HydrophobicContact CG-SD 4.31Å; R362-M429 PolarHBondContact O-N 3.13Å; S398-M429 WeakPolarHBondContact CB-O 3.07Å; S398-M429 PolarHBondContact N-O 3.02Å; M399-M429 WeakPolarHBondContact O-CE 3.45Å; K401-M429 HydrophobicContact CB-CE 4.3Å
430G87.1Confident90.3Very high42 Ų4251 Ų5143%0.43326%0.264SS..  trans96.9-125169.700000114.6S363 G364S363-G430 CarbonylContact C-O 3.47Å; S363-G430 VanDerWaalsContact CA-O 3.27Å; S363-G430 WeakPolarHBondContact CA-O 3.4Å; G364-G430 PolarHBondContact N-O 3.09Å
431G85.8Confident90.2Very high34 Ų3448.5 Ų48.535%0.35125%0.25SS..SBendtrans-83.4-153.417200000112.1S363 G397 S398S363-G431 WeakPolarHBondContact CB-O 3.09Å; G397-G431 CarbonylContact C-O 3.46Å; G397-G431 WeakPolarHBondContact CA-O 3.44Å; S398-G431 PolarHBondContact N-O 3.41Å; S398-G431 PolarHBondContact OG-N 3.22Å
432T84.7Confident90Very high35 Ų3548.3 Ų48.322%0.21525%0.253CS..  trans-131106.8-172.1-48.30000111.4S363 F396 M434 V462S363-T432 VanDerWaalsContact CB-OG1 3.3Å; S363-T432 WeakPolarHBondContact CB-OG1 3.29Å; F396-T432 HydrophobicContact CD2-CG2 4.5Å; F396-T432 HydrophobicContact CE2-CG2 3.74Å; T432-M434 HydrophobicContact CG2-CE 4.09Å; T432-V462 HydrophobicContact CG2-CG2 3.98Å
433N88Confident89.7Confident60 Ų6055.4 Ų55.432%0.32128%0.28SS..  trans-12594.4178.7175.613.2000110.5G397 L435 P437G397-N433 WeakPolarHBondContact O-CB 3.47Å; G397-N433 PolarHBondContact O-N 3.15Å; N433-L435 PolarHBondContact OD1-N 2.84Å; N433-P437 WeakPolarHBondContact O-CD 2.75Å
434M88.8Confident89.5Confident0 Ų049.9 Ų49.90%026%0.26CS..  trans-80.6-22.9-179.6-66.7-176.4-164.500114.2F396 T432 A436 P437 L438 L456 T458 V462 V468 L494F396-M434 HydrophobicContact CD2-CG 4.14Å; F396-M434 HydrophobicContact CE2-CE 3.99Å; F396-M434 HydrophobicContact CE2-CG 3.43Å; F396-M434 VanDerWaalsContact CE2-CG 3.43Å; F396-M434 HydrophobicContact CE2-SD 4.45Å; F396-M434 HydrophobicContact CZ-CE 3.88Å; F396-M434 HydrophobicContact CZ-CG 3.87Å; F396-M434 HydrophobicContact CZ-SD 4.42Å; T432-M434 HydrophobicContact CG2-CE 4.09Å; M434-A436 PolarHBondContact O-N 3.07Å; M434-P437 VanDerWaalsContact O-CD 3.29Å; M434-P437 WeakPolarHBondContact O-CD 3.46Å; M434-P437 VanDerWaalsContact O-CG 3.32Å; M434-P437 WeakPolarHBondContact O-CG 3.17Å; M434-L438 HydrophobicContact CB-CD1 4.17Å; M434-L438 WeakPolarHBondContact O-CB 3.39Å; M434-L438 WeakPolarHBondContact O-CD1 3.16Å; M434-L438 WeakPolarHBondContact O-CG 3.31Å; M434-L438 PolarHBondContact O-N 3.2Å; M434-L438 VanDerWaalsContact O-N 3.15Å; M434-L456 HydrophobicContact CE-CD1 4.4Å; M434-L456 HydrophobicContact SD-CD1 4.26Å; M434-L456 HydrophobicContact SD-CD2 4.04Å; M434-T458 HydrophobicContact CE-CG2 3.94Å; M434-T458 WeakPolarHBondContact CE-OG1 3.37Å; M434-V462 HydrophobicContact CB-CG2 4.45Å; M434-V462 HydrophobicContact CE-CG2 3.6Å; M434-V462 HydrophobicContact CG-CG2 3.87Å; M434-V462 HydrophobicContact SD-CG2 3.77Å; M434-V468 HydrophobicContact CB-CG2 4.18Å; M434-L494 HydrophobicContact CE-CD2 3.79Å; M434-L494 HydrophobicContact SD-CD2 3.85Å
435L88.6Confident89.1Confident48 Ų4847 Ų4725%0.25126%0.255SS..Hα-helixtrans-65.4-44.2-172.4-169.667.7000111.6N433 L438 T439 K467 V468 L471N433-L435 PolarHBondContact OD1-N 2.84Å; L435-L438 PolarHBondContact O-N 3.5Å; L435-T439 PolarHBondContact O-N 2.88Å; L435-T439 PolarHBondContact O-OG1 3.45Å; L435-T439 VanDerWaalsContact O-OG1 3.09Å; L435-K467 HydrophobicContact CD1-CB 4.34Å; L435-V468 HydrophobicContact CB-CG2 4.26Å; L435-V468 HydrophobicContact CD1-CG2 4.18Å; L435-L471 HydrophobicContact CD1-CB 4.5Å; L435-L471 HydrophobicContact CD1-CD2 3.74Å
436A90.1Very high88.7Confident39 Ų3951.7 Ų51.732%0.32229%0.285SS..Hα-helixtrans-60.5-51.5-179.900000114.5F400 M434 W440F400-A436 HydrophobicContact CD1-CB 4.01Å; F400-A436 HydrophobicContact CE1-CB 4.04Å; M434-A436 PolarHBondContact O-N 3.07Å; A436-W440 PolarHBondContact O-N 3.38Å; A436-W440 VanDerWaalsContact O-N 3.14Å
437P92.8Very high88.3Confident1 Ų146.7 Ų46.71%0.00627%0.268CS..Hα-helixtrans-65.4-35.3175.223.1-32.1000112.7L359 V394 F396 F400 N433 M434 W440 I441L359-P437 HydrophobicContact CD1-CB 3.82Å; L359-P437 HydrophobicContact CD1-CG 4.15Å; V394-P437 HydrophobicContact CG1-CB 4.15Å; F396-P437 HydrophobicContact CB-CG 3.95Å; F396-P437 HydrophobicContact CG-CG 4.34Å; F400-P437 HydrophobicContact CB-CB 3.82Å; F400-P437 HydrophobicContact CB-CG 4.15Å; F400-P437 HydrophobicContact CD1-CB 4.22Å; F400-P437 HydrophobicContact CD2-CB 4.08Å; F400-P437 HydrophobicContact CG-CB 3.78Å; F400-P437 HydrophobicContact CG-CG 4.42Å; N433-P437 WeakPolarHBondContact O-CD 2.75Å; M434-P437 VanDerWaalsContact O-CD 3.29Å; M434-P437 WeakPolarHBondContact O-CD 3.46Å; M434-P437 VanDerWaalsContact O-CG 3.32Å; M434-P437 WeakPolarHBondContact O-CG 3.17Å; P437-W440 PolarHBondContact O-N 3.3Å; P437-I441 WeakPolarHBondContact O-CB 3.34Å; P437-I441 VanDerWaalsContact O-CG1 3.25Å; P437-I441 WeakPolarHBondContact O-CG1 3.46Å; P437-I441 PolarHBondContact O-N 3.02Å
438L92Very high87.8Confident5 Ų549 Ų493%0.02628%0.283CS..Hα-helixtrans-65.3-46177.9-71.3171.7000112.1L359 M434 L435 W440 I441 V442 L454 V468 L471L359-L438 HydrophobicContact CD2-CD2 3.77Å; L359-L438 HydrophobicContact CD2-CG 4.21Å; M434-L438 HydrophobicContact CB-CD1 4.17Å; M434-L438 WeakPolarHBondContact O-CB 3.39Å; M434-L438 WeakPolarHBondContact O-CD1 3.16Å; M434-L438 WeakPolarHBondContact O-CG 3.31Å; M434-L438 PolarHBondContact O-N 3.2Å; M434-L438 VanDerWaalsContact O-N 3.15Å; L435-L438 PolarHBondContact O-N 3.5Å; L438-W440 VanDerWaalsContact C-N 3.25Å; L438-W440 PolarHBondContact O-N 2.93Å; L438-I441 PolarHBondContact O-N 2.89Å; L438-V442 WeakPolarHBondContact O-CB 3.48Å; L438-V442 WeakPolarHBondContact O-CG2 3.15Å; L438-V442 PolarHBondContact O-N 2.99Å; L438-L454 HydrophobicContact CD2-CD2 3.52Å; L438-V468 HydrophobicContact CD1-CB 4.45Å; L438-V468 HydrophobicContact CD1-CG1 3.56Å; L438-V468 HydrophobicContact CD1-CG2 4.4Å; L438-L471 HydrophobicContact CB-CD2 3.86Å
439T90.9Very high87.3Confident39 Ų3944.9 Ų44.924%0.23926%0.264CS..Hα-helixtrans-61.7-33.9174-54.70000111.9L435 R443 L471L435-T439 PolarHBondContact O-N 2.88Å; L435-T439 PolarHBondContact O-OG1 3.45Å; L435-T439 VanDerWaalsContact O-OG1 3.09Å; T439-R443 WeakPolarHBondContact O-CG 3.48Å; T439-R443 PolarHBondContact O-N 2.82Å; T439-L471 WeakPolarHBondContact OG1-CD2 3.25Å
440W91.4Very high87Confident61 Ų6145.5 Ų45.523%0.23127%0.266CS..Hα-helixtrans-69.4-40.5174.3179.484.5000112.9V394 F400 T405 A436 P437 L438 R443 Q444V394-W440 HydrophobicContact CG2-CZ3 4Å; F400-W440 HydrophobicContact CE1-CB 4.48Å; F400-W440 HydrophobicContact CE2-CB 3.85Å; F400-W440 AromaticContact CE2-CD2 3.81Å; F400-W440 HydrophobicContact CE2-CD2 3.81Å; F400-W440 HydrophobicContact CE2-CE3 4.15Å; F400-W440 AromaticContact CE2-CG 3.64Å; F400-W440 HydrophobicContact CE2-CG 3.64Å; F400-W440 HydrophobicContact CZ-CB 3.59Å; F400-W440 HydrophobicContact CZ-CD2 4.34Å; F400-W440 AromaticContact CZ-CG 3.68Å; F400-W440 HydrophobicContact CZ-CG 3.68Å; T405-W440 WeakPolarHBondContact O-CZ2 3.5Å; A436-W440 PolarHBondContact O-N 3.38Å; A436-W440 VanDerWaalsContact O-N 3.14Å; P437-W440 PolarHBondContact O-N 3.3Å; L438-W440 VanDerWaalsContact C-N 3.25Å; L438-W440 PolarHBondContact O-N 2.93Å; W440-R443 PolarHBondContact O-N 2.87Å; W440-Q444 VanDerWaalsContact CE2-NE2 3.26Å; W440-Q444 HydrophobicContact CE3-CG 4.44Å; W440-Q444 HydrophobicContact CH2-CG 4.07Å; W440-Q444 HydrophobicContact CZ2-CG 4.23Å; W440-Q444 HydrophobicContact CZ3-CG 4.19Å; W440-Q444 WeakPolarHBondContact O-CG 3.45Å; W440-Q444 PolarHBondContact O-N 3Å; W440-Q444 PolarHBondContact O-NE2 3.2Å
441I92.3Very high87Confident1 Ų143.8 Ų43.81%0.00525%0.247CC..Hα-helixtrans-64.4-46.1175.4-72163.5000110.9I357 L359 P437 L438 R443 Q444 R452 L454I357-I441 HydrophobicContact CD1-CG2 3.79Å; I357-I441 HydrophobicContact CG2-CD1 3.88Å; I357-I441 HydrophobicContact CG2-CG1 4.2Å; L359-I441 HydrophobicContact CD1-CD1 4.33Å; L359-I441 HydrophobicContact CD2-CD1 4.12Å; P437-I441 WeakPolarHBondContact O-CB 3.34Å; P437-I441 VanDerWaalsContact O-CG1 3.25Å; P437-I441 WeakPolarHBondContact O-CG1 3.46Å; P437-I441 PolarHBondContact O-N 3.02Å; L438-I441 PolarHBondContact O-N 2.89Å; I441-R443 VanDerWaalsContact C-N 3.26Å; I441-R443 PolarHBondContact O-N 3.1Å; I441-Q444 WeakPolarHBondContact O-CB 3.31Å; I441-Q444 PolarHBondContact O-N 3.11Å; I441-Q444 VanDerWaalsContact O-N 3.09Å; I441-R452 PolarHBondContact O-NH1 2.8Å; I441-L454 HydrophobicContact CD1-CD1 3.94Å
442V88.3Confident87.2Confident31 Ų3142.5 Ų42.519%0.18823%0.232CC..Hα-helixtrans-55.7-41.9176.5161.70000111.3L438 Q444 H475 I479L438-V442 WeakPolarHBondContact O-CB 3.48Å; L438-V442 WeakPolarHBondContact O-CG2 3.15Å; L438-V442 PolarHBondContact O-N 2.99Å; V442-Q444 VanDerWaalsContact C-N 3.32Å; V442-Q444 PolarHBondContact O-N 3.16Å; V442-H475 WeakPolarHBondContact CG1-CD2 3.45Å; V442-H475 VanDerWaalsContact CG1-NE2 3.33Å; V442-H475 WeakPolarHBondContact CG1-NE2 3.42Å; V442-H475 HydrophobicContact CG2-CB 4.35Å; V442-I479 HydrophobicContact CG2-CD1 3.7Å
443R87.4Confident87.6Confident149 Ų14940.9 Ų40.956%0.56222%0.222SC*.THydrogen-bonded Turntrans-79.7-1.1179.3-70.1179177.6164.53.3115.1T439 W440 I441 E882T439-R443 WeakPolarHBondContact O-CG 3.48Å; T439-R443 PolarHBondContact O-N 2.82Å; W440-R443 PolarHBondContact O-N 2.87Å; I441-R443 VanDerWaalsContact C-N 3.26Å; I441-R443 PolarHBondContact O-N 3.1Å; R443-E882 IonicContact CZ-OE1 3.77Å; R443-E882 IonicContact CZ-OE2 3.83Å; R443-E882 IonicContact NE-OE1 3.79Å; R443-E882 IonicContact NE-OE2 3.15Å; R443-E882 PolarHBondContact NE-OE2 2.78Å; R443-E882 IonicContact NH2-OE1 2.7Å; R443-E882 PolarHBondContact NH2-OE1 2.77Å; R443-E882 IonicContact NH2-OE2 3.83Å; R443-E882 PolarHBondContact NH2-OE2 3.34Å
444Q88Confident87.9Confident32 Ų3238.2 Ų38.215%0.1521%0.208CC..SBendtrans-71.7141.1171.4-65.6-44.2-67.800110.5T405 W440 I441 V442 T446 R452T405-Q444 PolarHBondContact O-OE1 2.79Å; W440-Q444 VanDerWaalsContact CE2-NE2 3.26Å; W440-Q444 HydrophobicContact CE3-CG 4.44Å; W440-Q444 HydrophobicContact CH2-CG 4.07Å; W440-Q444 HydrophobicContact CZ2-CG 4.23Å; W440-Q444 HydrophobicContact CZ3-CG 4.19Å; W440-Q444 WeakPolarHBondContact O-CG 3.45Å; W440-Q444 PolarHBondContact O-N 3Å; W440-Q444 PolarHBondContact O-NE2 3.2Å; I441-Q444 WeakPolarHBondContact O-CB 3.31Å; I441-Q444 PolarHBondContact O-N 3.11Å; I441-Q444 VanDerWaalsContact O-N 3.09Å; V442-Q444 VanDerWaalsContact C-N 3.32Å; V442-Q444 PolarHBondContact O-N 3.16Å; Q444-T446 PolarHBondContact O-N 2.75Å; Q444-R452 PolarHBondContact O-NH1 3Å; Q444-R452 PolarHBondContact O-NH2 2.91Å
445P84.3Confident88.2Confident78 Ų7838.2 Ų38.251%0.50621%0.208SC..PPolyproline II helixtrans-56.1137.5177.225.6-35.1000110.3R452P445-R452 PolarHBondContact O-NH2 3.19Å
446T82Confident88.5Confident102 Ų10236.1 Ų36.163%0.62620%0.197SC*.PPolyproline II helixtrans-81.3146.7173.845.20000110.3Q444Q444-T446 PolarHBondContact O-N 2.75Å
447F82.7Confident88.7Confident69 Ų6934.2 Ų34.230%0.30318%0.181SC..BIsolated β-bridgetrans-106.2123.8-179.6-63.4-89.3000109.1L390 H450L390-F447 HydrophobicContact CD1-CB 3.77Å; L390-F447 HydrophobicContact CD1-CD1 3.74Å; L390-F447 HydrophobicContact CD1-CD2 3.64Å; L390-F447 HydrophobicContact CD1-CE1 4.19Å; L390-F447 HydrophobicContact CD1-CE2 4.09Å; L390-F447 HydrophobicContact CD1-CG 3.44Å; L390-F447 VanDerWaalsContact CD1-CG 3.44Å; L390-F447 HydrophobicContact CD1-CZ 4.34Å; F447-H450 HydrophobicContact CB-CB 3.88Å; F447-H450 PolarHBondContact O-N 2.62Å
448S81.2Confident88.6Confident76 Ų7634.2 Ų34.253%0.53118%0.181SC..THydrogen-bonded Turntrans-61.1144.8177.3179.40000110.9H450 D533S448-H450 PolarHBondContact O-N 2.95Å; S448-H450 PolarHBondContact O-ND1 2.71Å; S448-D533 VanDerWaalsContact CA-OD2 3.3Å; S448-D533 WeakPolarHBondContact CA-OD2 3.37Å; S448-D533 WeakPolarHBondContact CB-OD2 3.43Å; S448-D533 PolarHBondContact OG-OD2 2.75Å
449G78.6Confident88.4Confident13 Ų1334.3 Ų34.313%0.13418%0.182CC..THydrogen-bonded Turntrans74.1-10.6-171.100000115.2H353 P451 S532 D533H353-G449 WeakPolarHBondContact CB-O 3.32Å; G449-P451 WeakPolarHBondContact O-CD 3.45Å; G449-S532 VanDerWaalsContact CA-OG 3.27Å; G449-S532 WeakPolarHBondContact CA-OG 3.1Å; G449-D533 PolarHBondContact N-OD2 2.75Å
450H82.7Confident87.6Confident41 Ų4133 Ų3319%0.1918%0.176CC..BIsolated β-bridgetrans-122.987.5-168.6-65.173.4000111.1H353 G354 G388 L390 F447 S448H353-H450 AromaticContact CG-NE2 3.9Å; H353-H450 AromaticContact ND1-CE1 3.83Å; H353-H450 AromaticContact ND1-NE2 3.49Å; H353-H450 PolarHBondContact ND1-NE2 2.67Å; G354-H450 PolarHBondContact N-CD2 2.99Å; G388-H450 PolarHBondContact O-NE2 2.63Å; L390-H450 HydrophobicContact CD1-CB 4.35Å; F447-H450 HydrophobicContact CB-CB 3.88Å; F447-H450 PolarHBondContact O-N 2.62Å; S448-H450 PolarHBondContact O-N 2.95Å; S448-H450 PolarHBondContact O-ND1 2.71Å
451P85.7Confident86.7Confident6 Ų633.2 Ų33.24%0.03919%0.19CC..  trans-55.9140.8172.726.2-38.2000111.6H353 E355 G449 L453 V530 F555 F557H353-P451 WeakPolarHBondContact O-CD 3.1Å; E355-P451 PolarHBondContact N-O 3.07Å; G449-P451 WeakPolarHBondContact O-CD 3.45Å; P451-L453 PolarHBondContact O-N 3.47Å; P451-V530 HydrophobicContact CB-CG1 4.38Å; P451-V530 HydrophobicContact CG-CB 4.25Å; P451-V530 HydrophobicContact CG-CG1 4.02Å; P451-V530 HydrophobicContact CG-CG2 4.19Å; P451-F555 HydrophobicContact CB-CD1 3.64Å; P451-F555 HydrophobicContact CB-CE1 3.89Å; P451-F555 HydrophobicContact CB-CG 4.3Å; P451-F557 HydrophobicContact CB-CZ 4.32Å; P451-F557 HydrophobicContact CG-CZ 4.48Å
452R90.7Very high85.9Confident6 Ų633.8 Ų33.82%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-83115.2178.9-179.1167.7-73.3156.78.1110.9E355 I357 I441 Q444 P445 Y478 I479 R480E355-R452 IonicContact OE1-NE 2.65Å; E355-R452 IonicContact OE1-NH2 3.05Å; E355-R452 PolarHBondContact OE1-NH2 2.91Å; E355-R452 IonicContact OE2-CZ 3.81Å; E355-R452 IonicContact OE2-NE 3.93Å; E355-R452 PolarHBondContact OE2-NE 3.39Å; E355-R452 IonicContact OE2-NH2 2.94Å; E355-R452 PolarHBondContact OE2-NH2 2.79Å; I357-R452 HydrophobicContact CD1-CG 3.87Å; I441-R452 PolarHBondContact O-NH1 2.8Å; Q444-R452 PolarHBondContact O-NH1 3Å; Q444-R452 PolarHBondContact O-NH2 2.91Å; P445-R452 PolarHBondContact O-NH2 3.19Å; R452-Y478 WeakPolarHBondContact CB-O 3.34Å; R452-I479 HydrophobicContact CG-CG1 4.32Å; R452-R480 PolarHBondContact O-N 3.18Å
453L92.3Very high85.1Confident2 Ų237.8 Ų37.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-111.1103.2-172.7-61.5169000108.9E355 F356 I357 P451 F455 R480 F482 T526 F557E355-L453 PolarHBondContact O-N 3.37Å; F356-L453 HydrophobicContact CD1-CB 4.27Å; F356-L453 HydrophobicContact CD1-CD1 3.95Å; F356-L453 HydrophobicContact CD2-CD1 4.25Å; F356-L453 HydrophobicContact CE1-CB 4.47Å; F356-L453 HydrophobicContact CE1-CD1 3.42Å; F356-L453 VanDerWaalsContact CE1-CD1 3.42Å; F356-L453 HydrophobicContact CE2-CD1 3.76Å; F356-L453 HydrophobicContact CG-CD1 4.33Å; F356-L453 HydrophobicContact CZ-CD1 3.31Å; I357-L453 PolarHBondContact N-O 3.5Å; P451-L453 PolarHBondContact O-N 3.47Å; L453-F455 HydrophobicContact CB-CE2 4.27Å; L453-R480 HydrophobicContact CD2-CB 4Å; L453-R480 HydrophobicContact CD2-CG 4.42Å; L453-F482 HydrophobicContact CD2-CE2 4.17Å; L453-T526 HydrophobicContact CD1-CG2 4.24Å; L453-T526 HydrophobicContact CD2-CG2 3.78Å; L453-T526 HydrophobicContact CG-CG2 4.42Å; L453-F557 HydrophobicContact CD2-CE1 3.98Å; L453-F557 HydrophobicContact CD2-CZ 3.62Å
454L94.5Very high84.8Confident3 Ų334 Ų342%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-97110.3-174.1-179.662000111.1I357 L359 L438 I441 I479 R480 C481 F482I357-L454 HydrophobicContact CB-CD1 4.12Å; I357-L454 HydrophobicContact CG2-CD1 3.9Å; L359-L454 HydrophobicContact CB-CD1 3.81Å; L359-L454 HydrophobicContact CD2-CD1 4.26Å; L438-L454 HydrophobicContact CD2-CD2 3.52Å; I441-L454 HydrophobicContact CD1-CD1 3.94Å; L454-I479 HydrophobicContact CB-CG2 3.95Å; L454-I479 HydrophobicContact CD2-CG2 4.35Å; L454-R480 PolarHBondContact N-O 2.85Å; L454-C481 CarbonylContact O-C 3.54Å; L454-C481 WeakPolarHBondContact O-CA 3.18Å; L454-F482 PolarHBondContact O-N 2.98Å
455F95.5Very high84.6Confident0 Ų033 Ų330%021%0.211CC..EExtended strand (participates in β ladder)trans-95.6104174.7-76.2-109.6000109.4F356 I357 F358 L359 I381 L453 L457 F482 F484 L523 T526F356-F455 HydrophobicContact CD1-CD2 4.45Å; F356-F455 AromaticContact CD1-CE2 3.8Å; F356-F455 HydrophobicContact CD1-CE2 3.8Å; F356-F455 HydrophobicContact CD1-CZ 4.49Å; F356-F455 HydrophobicContact CE1-CE2 4.17Å; I357-F455 PolarHBondContact O-N 3.07Å; F358-F455 CarbonylContact C-O 3.51Å; F358-F455 HydrophobicContact CD1-CB 3.57Å; F358-F455 HydrophobicContact CD1-CD2 4.49Å; F358-F455 AromaticContact CD1-CG 4Å; F358-F455 HydrophobicContact CD1-CG 4Å; F358-F455 HydrophobicContact CE1-CB 3.93Å; F358-F455 HydrophobicContact CE1-CD1 4.17Å; F358-F455 HydrophobicContact CE1-CD2 4.08Å; F358-F455 AromaticContact CE1-CG 3.8Å; F358-F455 HydrophobicContact CE1-CG 3.8Å; L359-F455 PolarHBondContact N-O 2.96Å; I381-F455 HydrophobicContact CD1-CD1 4.03Å; I381-F455 HydrophobicContact CD1-CE1 3.81Å; L453-F455 HydrophobicContact CB-CE2 4.27Å; F455-L457 HydrophobicContact CB-CD1 4.46Å; F455-F482 CarbonylContact C-O 3.55Å; F455-F482 WeakPolarHBondContact CA-O 3.11Å; F455-F482 HydrophobicContact CD1-CB 4.07Å; F455-F482 HydrophobicContact CD2-CB 4.47Å; F455-F482 HydrophobicContact CE1-CB 4.14Å; F455-F482 HydrophobicContact CE1-CG 4.47Å; F455-F482 HydrophobicContact CE2-CD2 4.27Å; F455-F482 HydrophobicContact CE2-CG 4.45Å; F455-F482 HydrophobicContact CG-CB 4.23Å; F455-F482 HydrophobicContact CZ-CB 4.37Å; F455-F482 HydrophobicContact CZ-CD2 4.48Å; F455-F482 HydrophobicContact CZ-CG 4.28Å; F455-F484 AromaticContact CD1-CE2 3.77Å; F455-F484 HydrophobicContact CD1-CE2 3.77Å; F455-F484 HydrophobicContact CD1-CZ 4.27Å; F455-F484 HydrophobicContact CE1-CE2 4.42Å; F455-L523 HydrophobicContact CZ-CD1 4.21Å; F455-T526 HydrophobicContact CE2-CG2 3.96Å; F455-T526 HydrophobicContact CZ-CG2 3.82Å
456L94.6Very high84.6Confident4 Ų429.4 Ų29.42%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-100.1123.9-179.2169.663000111.1L359 F396 M434 F482 T483 F484 L498L359-L456 HydrophobicContact CB-CD1 4.37Å; L359-L456 HydrophobicContact CD2-CD1 3.99Å; L359-L456 HydrophobicContact CG-CD1 3.96Å; L359-L456 WeakPolarHBondContact O-CA 3.5Å; F396-L456 HydrophobicContact CE1-CD1 3.78Å; F396-L456 HydrophobicContact CZ-CD1 3.82Å; M434-L456 HydrophobicContact CE-CD1 4.4Å; M434-L456 HydrophobicContact SD-CD1 4.26Å; M434-L456 HydrophobicContact SD-CD2 4.04Å; L456-F482 PolarHBondContact N-O 3.33Å; L456-T483 HydrophobicContact CB-CG2 4.29Å; L456-T483 HydrophobicContact CD2-CG2 4.29Å; L456-F484 PolarHBondContact O-N 3.23Å; L456-L498 HydrophobicContact CD2-CD1 3.54Å
457L93.9Very high84.8Confident0 Ų026.9 Ų26.90%017%0.168CC..EExtended strand (participates in β ladder)trans-117.6123.8176.9-66.972.1000109.7L359 D361 V374 F455 F484 I486 L515 M519L359-L457 PolarHBondContact O-N 3.18Å; D361-L457 WeakPolarHBondContact CB-O 3.31Å; D361-L457 PolarHBondContact N-O 2.89Å; V374-L457 HydrophobicContact CB-CD2 4.45Å; V374-L457 HydrophobicContact CG1-CD2 3.81Å; V374-L457 HydrophobicContact CG2-CD2 3.98Å; F455-L457 HydrophobicContact CB-CD1 4.46Å; L457-F484 HydrophobicContact CD1-CD2 4.16Å; L457-F484 HydrophobicContact CG-CB 4.27Å; L457-F484 HydrophobicContact CG-CD2 4.24Å; L457-I486 HydrophobicContact CB-CD1 4.28Å; L457-L515 HydrophobicContact CD2-CD2 4.14Å; L457-M519 HydrophobicContact CD1-CE 4.02Å; L457-M519 HydrophobicContact CD2-CE 3.97Å; L457-M519 HydrophobicContact CD2-SD 3.98Å; L457-M519 HydrophobicContact CG-CE 4.41Å
458T91.4Very high85.1Confident1 Ų123.6 Ų23.61%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-151.3142.5-174.4-173.20000112.5M434 G460 F484 I486 V495M434-T458 HydrophobicContact CE-CG2 3.94Å; M434-T458 WeakPolarHBondContact CE-OG1 3.37Å; T458-G460 PolarHBondContact OG1-N 3.39Å; T458-G460 PolarHBondContact OG1-O 2.69Å; T458-F484 PolarHBondContact N-O 2.59Å; T458-F484 VanDerWaalsContact N-O 3.08Å; T458-I486 PolarHBondContact O-N 3.45Å; T458-V495 HydrophobicContact CG2-CG2 3.98Å
459D87.2Confident85.6Confident7 Ų720.1 Ų20.14%0.03713%0.129CC..SBendtrans-109-16166.674.4-0.6000113.7S365 M366 N370 I486 N489 A490S365-D459 VanDerWaalsContact CB-OD1 3.22Å; S365-D459 WeakPolarHBondContact CB-OD1 3.22Å; S365-D459 PolarHBondContact OG-OD1 3.09Å; M366-D459 WeakPolarHBondContact CA-OD2 3.46Å; M366-D459 WeakPolarHBondContact CG-OD1 3.45Å; M366-D459 PolarHBondContact N-OD2 2.85Å; M366-D459 VanDerWaalsContact N-OD2 3.13Å; M366-D459 HydrophobicContact SD-CB 3.64Å; N370-D459 PolarHBondContact ND2-OD2 2.97Å; D459-I486 WeakPolarHBondContact CA-O 3.29Å; D459-I486 HydrophobicContact CB-CB 4.13Å; D459-I486 HydrophobicContact CB-CG2 4.42Å; D459-I486 WeakPolarHBondContact CB-O 3.45Å; D459-N489 CarbonylContact O-C 3.57Å; D459-N489 VanDerWaalsContact O-C 3.3Å; D459-A490 WeakPolarHBondContact O-CA 3.45Å; D459-A490 PolarHBondContact O-N 2.9Å
460G75.4Confident86Confident11 Ų1120.6 Ų20.611%0.11313%0.127CC..SBendtrans-90.5165.4-179.100000115.1T458T458-G460 PolarHBondContact OG1-N 3.39Å; T458-G460 PolarHBondContact OG1-O 2.69Å
461A71.7Confident86.3Confident65 Ų6520 Ų2054%0.53713%0.126SC..  trans-95154.9164.800000111C491A461-C491 HydrophobicContact CB-CB 3.79Å
462V75.8Confident86.5Confident14 Ų1419.9 Ų19.99%0.08513%0.125CC..  trans-115.7134.2179.6-179.30000109.5T432 M434 N464 T465 L494T432-V462 HydrophobicContact CG2-CG2 3.98Å; M434-V462 HydrophobicContact CB-CG2 4.45Å; M434-V462 HydrophobicContact CE-CG2 3.6Å; M434-V462 HydrophobicContact CG-CG2 3.87Å; M434-V462 HydrophobicContact SD-CG2 3.77Å; V462-N464 HydrophobicContact CG1-CB 4.4Å; V462-N464 PolarHBondContact O-N 3.39Å; V462-N464 VanDerWaalsContact O-N 3.16Å; V462-T465 PolarHBondContact O-OG1 3.17Å; V462-L494 HydrophobicContact CB-CD2 3.94Å; V462-L494 HydrophobicContact CG2-CD2 3.62Å
463S72.1Confident86.4Confident115 Ų11521.4 Ų21.480%0.80413%0.131SC*.THydrogen-bonded Turntrans-63.9-19.8-180610000113.9
464N79.8Confident86Confident69 Ų6923.2 Ų23.237%0.36914%0.143SC..THydrogen-bonded Turntrans-116.538.2-171.9-56.21000111.1V462 G466 K467 V468V462-N464 HydrophobicContact CG1-CB 4.4Å; V462-N464 PolarHBondContact O-N 3.39Å; V462-N464 VanDerWaalsContact O-N 3.16Å; N464-G466 VanDerWaalsContact C-N 3.34Å; N464-G466 PolarHBondContact O-N 3.03Å; N464-K467 HydrophobicContact CB-CB 4.32Å; N464-K467 PolarHBondContact O-N 3.26Å; N464-V468 PolarHBondContact O-N 2.83Å
465T85.1Confident85.6Confident12 Ų1224.9 Ų24.97%0.07415%0.151CC..Hα-helixtrans-51.7-47.5-175-71.20000112.9V462 K467 V468 I469 R493 L494V462-T465 PolarHBondContact O-OG1 3.17Å; T465-K467 PolarHBondContact O-N 3.49Å; T465-V468 WeakPolarHBondContact O-CB 3.3Å; T465-V468 PolarHBondContact O-N 3.49Å; T465-V468 VanDerWaalsContact O-N 3.12Å; T465-I469 HydrophobicContact CG2-CD1 3.66Å; T465-I469 HydrophobicContact CG2-CG1 4.45Å; T465-I469 WeakPolarHBondContact O-CG1 3.21Å; T465-I469 PolarHBondContact O-N 2.82Å; T465-R493 HydrophobicContact CG2-CG 4.13Å; T465-L494 HydrophobicContact CG2-CB 3.94Å; T465-L494 HydrophobicContact CG2-CD1 4.08Å
466G84.3Confident85.1Confident2 Ų226.2 Ų26.22%0.02116%0.162CC..Hα-helixtrans-60.9-42.3-179.500000114.2D113 N464 V468 I469 E470D113-G466 WeakPolarHBondContact OD1-CA 3.49Å; N464-G466 VanDerWaalsContact C-N 3.34Å; N464-G466 PolarHBondContact O-N 3.03Å; G466-V468 VanDerWaalsContact C-N 3.27Å; G466-V468 PolarHBondContact O-N 2.82Å; G466-I469 PolarHBondContact O-N 2.76Å; G466-E470 PolarHBondContact O-N 3.44Å
467K85.4Confident84.3Confident49 Ų4928.7 Ų28.721%0.21317%0.171CC..Hα-helixtrans-59.4-37.3174.3-78.4-177.2177.8-159.50113.3E112 L435 N464 T465 L471 A931E112-K467 WeakPolarHBondContact OE1-CE 3.32Å; E112-K467 IonicContact OE1-NZ 3.66Å; E112-K467 PolarHBondContact OE1-NZ 2.8Å; E112-K467 WeakPolarHBondContact OE2-CE 3.32Å; E112-K467 WeakPolarHBondContact OE2-CG 3.36Å; L435-K467 HydrophobicContact CD1-CB 4.34Å; N464-K467 HydrophobicContact CB-CB 4.32Å; N464-K467 PolarHBondContact O-N 3.26Å; T465-K467 PolarHBondContact O-N 3.49Å; K467-L471 VanDerWaalsContact O-CB 3.26Å; K467-L471 WeakPolarHBondContact O-CB 3.34Å; K467-L471 PolarHBondContact O-N 2.96Å; K467-L471 VanDerWaalsContact O-N 3.1Å; K467-A931 PolarHBondContact NZ-O 3.28Å; K467-A931 VanDerWaalsContact NZ-O 3.16Å
468V89.8Confident83.6Confident0 Ų031.4 Ų31.40%018%0.182CC..Hα-helixtrans-72.5-37.8179.6163.60000110.9M434 L435 L438 N464 T465 G466 V472 L494 L498M434-V468 HydrophobicContact CB-CG2 4.18Å; L435-V468 HydrophobicContact CB-CG2 4.26Å; L435-V468 HydrophobicContact CD1-CG2 4.18Å; L438-V468 HydrophobicContact CD1-CB 4.45Å; L438-V468 HydrophobicContact CD1-CG1 3.56Å; L438-V468 HydrophobicContact CD1-CG2 4.4Å; N464-V468 PolarHBondContact O-N 2.83Å; T465-V468 WeakPolarHBondContact O-CB 3.3Å; T465-V468 PolarHBondContact O-N 3.49Å; T465-V468 VanDerWaalsContact O-N 3.12Å; G466-V468 VanDerWaalsContact C-N 3.27Å; G466-V468 PolarHBondContact O-N 2.82Å; V468-V472 PolarHBondContact O-N 2.78Å; V468-L494 HydrophobicContact CB-CD1 4.24Å; V468-L494 HydrophobicContact CG1-CD1 3.67Å; V468-L498 HydrophobicContact CG1-CD1 3.96Å; V468-L498 HydrophobicContact CG1-CD2 3.93Å; V468-L498 HydrophobicContact CG1-CG 4.31Å
469I90.4Very high83.4Confident3 Ų331.7 Ų31.72%0.01518%0.183CC..Hα-helixtrans-69.7-48.4176-66.3169.2000111D113 T465 G466 L471 V472 R473 R493 L498 V501D113-I469 HydrophobicContact CB-CB 3.94Å; D113-I469 HydrophobicContact CB-CD1 4.48Å; D113-I469 HydrophobicContact CB-CG2 3.85Å; T465-I469 HydrophobicContact CG2-CD1 3.66Å; T465-I469 HydrophobicContact CG2-CG1 4.45Å; T465-I469 WeakPolarHBondContact O-CG1 3.21Å; T465-I469 PolarHBondContact O-N 2.82Å; G466-I469 PolarHBondContact O-N 2.76Å; I469-L471 VanDerWaalsContact C-N 3.35Å; I469-L471 PolarHBondContact O-N 2.88Å; I469-V472 CarbonylContact O-C 3.59Å; I469-V472 PolarHBondContact O-N 2.68Å; I469-R473 PolarHBondContact O-N 3.13Å; I469-R493 HydrophobicContact CD1-CG 4.49Å; I469-L498 HydrophobicContact CG1-CD2 4.47Å; I469-L498 HydrophobicContact CG1-CG 4.33Å; I469-V501 HydrophobicContact CG2-CG2 3.75Å
470E87.4Confident83.6Confident22 Ų2231.7 Ų31.710%0.10318%0.182CC..Hα-helixtrans-66.4-32.5179.9-175.866-176.600112.9R116 G466 V472 R473 S474R116-E470 IonicContact CZ-OE1 3.9Å; R116-E470 IonicContact NE-OE1 3.43Å; R116-E470 PolarHBondContact NE-OE1 3.33Å; R116-E470 IonicContact NE-OE2 3.71Å; R116-E470 IonicContact NH2-OE1 2.66Å; R116-E470 PolarHBondContact NH2-OE1 2.74Å; G466-E470 PolarHBondContact O-N 3.44Å; E470-V472 VanDerWaalsContact C-N 3.29Å; E470-V472 PolarHBondContact O-N 2.94Å; E470-R473 PolarHBondContact O-N 3.01Å; E470-R473 WeakPolarHBondContact OE2-CD 3.39Å; E470-R473 IonicContact OE2-CZ 3.68Å; E470-R473 IonicContact OE2-NE 3.24Å; E470-R473 IonicContact OE2-NH1 3.34Å; E470-R473 PolarHBondContact OE2-NH1 2.73Å; E470-S474 PolarHBondContact O-N 3.21Å; E470-S474 PolarHBondContact O-OG 2.8Å
471L88.9Confident84.4Confident30 Ų3031.2 Ų31.216%0.15718%0.177CC..Hα-helixtrans-62.8-35.8170.917862.8000112L435 L438 T439 K467 I469 S474 H475L435-L471 HydrophobicContact CD1-CB 4.5Å; L435-L471 HydrophobicContact CD1-CD2 3.74Å; L438-L471 HydrophobicContact CB-CD2 3.86Å; T439-L471 WeakPolarHBondContact OG1-CD2 3.25Å; K467-L471 VanDerWaalsContact O-CB 3.26Å; K467-L471 WeakPolarHBondContact O-CB 3.34Å; K467-L471 PolarHBondContact O-N 2.96Å; K467-L471 VanDerWaalsContact O-N 3.1Å; I469-L471 VanDerWaalsContact C-N 3.35Å; I469-L471 PolarHBondContact O-N 2.88Å; L471-S474 WeakPolarHBondContact CA-OG 3.4Å; L471-S474 PolarHBondContact O-OG 2.76Å; L471-H475 PolarHBondContact O-ND1 2.78Å
472V90.2Very high85.5Confident3 Ų328.2 Ų28.22%0.01815%0.152CC..Hα-helixtrans-79.6-32.9174.61720000111.4V468 I469 E470 S474 H475 A476 L498 V501V468-V472 PolarHBondContact O-N 2.78Å; I469-V472 CarbonylContact O-C 3.59Å; I469-V472 PolarHBondContact O-N 2.68Å; E470-V472 VanDerWaalsContact C-N 3.29Å; E470-V472 PolarHBondContact O-N 2.94Å; V472-S474 PolarHBondContact O-N 2.84Å; V472-H475 CarbonylContact O-C 3.59Å; V472-H475 PolarHBondContact O-N 3.11Å; V472-A476 PolarHBondContact O-N 3.46Å; V472-L498 HydrophobicContact CB-CD2 3.8Å; V472-L498 HydrophobicContact CG1-CD2 4.24Å; V472-L498 HydrophobicContact CG2-CD2 3.57Å; V472-V501 HydrophobicContact CG1-CG1 4.33Å
473R88.3Confident86.4Confident38 Ų3827.5 Ų27.514%0.14315%0.148CC..Hα-helixtrans-59.5-47.6174.7-166.6176.8-73.1135.8-15.1112.1E55 D113 T117 I469 E470 H475 A476 V501E55-R473 IonicContact OE1-CZ 2.89Å; E55-R473 IonicContact OE1-NE 3.78Å; E55-R473 PolarHBondContact OE1-NE 2.77Å; E55-R473 IonicContact OE1-NH2 2.77Å; E55-R473 PolarHBondContact OE1-NH2 2.84Å; D113-R473 PolarHBondContact O-NH1 2.91Å; D113-R473 PolarHBondContact O-NH2 3.25Å; T117-R473 VanDerWaalsContact CG2-NH2 3.29Å; I469-R473 PolarHBondContact O-N 3.13Å; E470-R473 PolarHBondContact O-N 3.01Å; E470-R473 WeakPolarHBondContact OE2-CD 3.39Å; E470-R473 IonicContact OE2-CZ 3.68Å; E470-R473 IonicContact OE2-NE 3.24Å; E470-R473 IonicContact OE2-NH1 3.34Å; E470-R473 PolarHBondContact OE2-NH1 2.73Å; R473-H475 PolarHBondContact O-N 2.83Å; R473-H475 VanDerWaalsContact O-N 3.11Å; R473-A476 PolarHBondContact O-N 2.64Å; R473-V501 HydrophobicContact CB-CG1 3.46Å; R473-V501 VanDerWaalsContact CB-CG1 3.46Å; R473-V501 HydrophobicContact CG-CG1 3.9Å
474S84.6Confident87.4Confident40 Ų4022.2 Ų22.228%0.2811%0.11SC..THydrogen-bonded Turntrans-62.3-13.817445.70000114.4E470 L471 V472E470-S474 PolarHBondContact O-N 3.21Å; E470-S474 PolarHBondContact O-OG 2.8Å; L471-S474 WeakPolarHBondContact CA-OG 3.4Å; L471-S474 PolarHBondContact O-OG 2.76Å; V472-S474 PolarHBondContact O-N 2.84Å
475H85.5Confident88Confident38 Ų3819 Ų1918%0.1769%0.093CC..THydrogen-bonded Turntrans-125.212.3-177.6-61.582.8000114.1V442 L471 V472 R473 R477 Y478 I479V442-H475 WeakPolarHBondContact CG1-CD2 3.45Å; V442-H475 VanDerWaalsContact CG1-NE2 3.33Å; V442-H475 WeakPolarHBondContact CG1-NE2 3.42Å; V442-H475 HydrophobicContact CG2-CB 4.35Å; L471-H475 PolarHBondContact O-ND1 2.78Å; V472-H475 CarbonylContact O-C 3.59Å; V472-H475 PolarHBondContact O-N 3.11Å; R473-H475 PolarHBondContact O-N 2.83Å; R473-H475 VanDerWaalsContact O-N 3.11Å; H475-R477 PolarHBondContact O-N 2.88Å; H475-Y478 HydrophobicContact CB-CD2 3.95Å; H475-Y478 HydrophobicContact CB-CE2 4.04Å; H475-Y478 AromaticContact CD2-CE2 3.7Å; H475-Y478 WeakPolarHBondContact O-CD2 3.42Å; H475-Y478 PolarHBondContact O-N 2.65Å; H475-I479 HydrophobicContact CB-CD1 4.33Å; H475-I479 PolarHBondContact O-N 2.76Å; H475-I479 VanDerWaalsContact O-N 3.08Å
476A85Confident88.2Confident27 Ų2718.5 Ų18.522%0.2239%0.09CC..THydrogen-bonded Turntrans-64.4-24.5-174.800000113.7V472 R473 Y478 V501V472-A476 PolarHBondContact O-N 3.46Å; R473-A476 PolarHBondContact O-N 2.64Å; A476-Y478 PolarHBondContact O-N 2.77Å; A476-V501 WeakPolarHBondContact CB-O 3.42Å
477R78.8Confident88.1Confident57 Ų5719.2 Ų19.222%0.21510%0.098CC..THydrogen-bonded Turntrans-63.7-18.1172.7-64.1-176.1-172.1164.46.3113.5H475 P550 V551 D872H475-R477 PolarHBondContact O-N 2.88Å; R477-P550 VanDerWaalsContact CZ-CB 3.44Å; R477-V551 PolarHBondContact NH1-O 2.98Å; R477-D872 IonicContact CZ-OD1 2.74Å; R477-D872 VanDerWaalsContact CZ-OD1 3.24Å; R477-D872 IonicContact NH1-OD1 3.91Å; R477-D872 PolarHBondContact NH1-OD1 2.93Å; R477-D872 IonicContact NH2-OD1 3.2Å; R477-D872 PolarHBondContact NH2-OD1 2.71Å
478Y78.4Confident87.7Confident57 Ų5724.3 Ų24.322%0.22412%0.123CC..THydrogen-bonded Turntrans-130-6.4-175-4.4-80.9000114.5R452 H475 A476 F555 H875R452-Y478 WeakPolarHBondContact CB-O 3.34Å; H475-Y478 HydrophobicContact CB-CD2 3.95Å; H475-Y478 HydrophobicContact CB-CE2 4.04Å; H475-Y478 AromaticContact CD2-CE2 3.7Å; H475-Y478 WeakPolarHBondContact O-CD2 3.42Å; H475-Y478 PolarHBondContact O-N 2.65Å; A476-Y478 PolarHBondContact O-N 2.77Å; Y478-F555 WeakPolarHBondContact O-CE1 3.39Å; Y478-H875 PolarHBondContact OH-NE2 3.5Å
479I87.4Confident87.1Confident6 Ų630.9 Ų30.93%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-133.5121.8-179.6-54.2-176000111.1V442 R452 L454 H475 S502V442-I479 HydrophobicContact CG2-CD1 3.7Å; R452-I479 HydrophobicContact CG-CG1 4.32Å; L454-I479 HydrophobicContact CB-CG2 3.95Å; L454-I479 HydrophobicContact CD2-CG2 4.35Å; H475-I479 HydrophobicContact CB-CD1 4.33Å; H475-I479 PolarHBondContact O-N 2.76Å; H475-I479 VanDerWaalsContact O-N 3.08Å; I479-S502 WeakPolarHBondContact O-CB 3.41Å
480R90.9Very high86.9Confident7 Ų731.1 Ų31.13%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-104.6115177.8-159.262.6140.194-23.8109.1R452 L453 L454 F482 S502 K503 F555 F557 D560R452-R480 PolarHBondContact O-N 3.18Å; L453-R480 HydrophobicContact CD2-CB 4Å; L453-R480 HydrophobicContact CD2-CG 4.42Å; L454-R480 PolarHBondContact N-O 2.85Å; R480-F482 HydrophobicContact CB-CE2 4.06Å; R480-F482 HydrophobicContact CG-CE2 3.6Å; R480-F482 HydrophobicContact CG-CZ 3.93Å; R480-S502 WeakPolarHBondContact CD-O 3.42Å; R480-K503 PolarHBondContact NH1-O 3.23Å; R480-K503 PolarHBondContact NH2-O 2.69Å; R480-F555 HydrophobicContact CB-CE2 4.49Å; R480-F555 HydrophobicContact CB-CZ 4.2Å; R480-F557 HydrophobicContact CB-CE2 4.09Å; R480-F557 HydrophobicContact CB-CZ 4.15Å; R480-F557 HydrophobicContact CG-CD2 4.24Å; R480-F557 HydrophobicContact CG-CE1 4.49Å; R480-F557 HydrophobicContact CG-CE2 3.67Å; R480-F557 HydrophobicContact CG-CZ 3.83Å; R480-D560 IonicContact CZ-OD2 3.17Å; R480-D560 IonicContact NE-OD2 3.24Å; R480-D560 IonicContact NH2-OD1 2.72Å; R480-D560 PolarHBondContact NH2-OD1 3.44Å; R480-D560 IonicContact NH2-OD2 3.35Å; R480-D560 PolarHBondContact NH2-OD2 3.41Å
481C93.3Very high86.8Confident2 Ų231.5 Ų31.51%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-99137.7-173.6-56.30000113.5L454 T483 S502 G504 T505L454-C481 CarbonylContact O-C 3.54Å; L454-C481 WeakPolarHBondContact O-CA 3.18Å; C481-T483 HydrophobicContact CB-CG2 4.24Å; C481-S502 VanDerWaalsContact CB-OG 3.24Å; C481-S502 WeakPolarHBondContact CB-OG 3.33Å; C481-S502 PolarHBondContact N-OG 2.95Å; C481-G504 VanDerWaalsContact O-CA 3.23Å; C481-G504 WeakPolarHBondContact O-CA 3.49Å; C481-T505 PolarHBondContact O-N 3.4Å
482F94.2Very high86.7Confident1 Ų137.4 Ų37.40%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-125107.6177.6-66-93.5000107.4L453 L454 F455 L456 R480 F484 T505 K525 T526L453-F482 HydrophobicContact CD2-CE2 4.17Å; L454-F482 PolarHBondContact O-N 2.98Å; F455-F482 CarbonylContact C-O 3.55Å; F455-F482 WeakPolarHBondContact CA-O 3.11Å; F455-F482 HydrophobicContact CD1-CB 4.07Å; F455-F482 HydrophobicContact CD2-CB 4.47Å; F455-F482 HydrophobicContact CE1-CB 4.14Å; F455-F482 HydrophobicContact CE1-CG 4.47Å; F455-F482 HydrophobicContact CE2-CD2 4.27Å; F455-F482 HydrophobicContact CE2-CG 4.45Å; F455-F482 HydrophobicContact CG-CB 4.23Å; F455-F482 HydrophobicContact CZ-CB 4.37Å; F455-F482 HydrophobicContact CZ-CD2 4.48Å; F455-F482 HydrophobicContact CZ-CG 4.28Å; L456-F482 PolarHBondContact N-O 3.33Å; R480-F482 HydrophobicContact CB-CE2 4.06Å; R480-F482 HydrophobicContact CG-CE2 3.6Å; R480-F482 HydrophobicContact CG-CZ 3.93Å; F482-F484 HydrophobicContact CB-CE2 4.2Å; F482-T505 WeakPolarHBondContact CA-O 3.3Å; F482-T505 WeakPolarHBondContact CD1-OG1 3.47Å; F482-K525 HydrophobicContact CE1-CD 4.33Å; F482-T526 HydrophobicContact CD1-CG2 4.15Å; F482-T526 HydrophobicContact CD2-CG2 3.73Å; F482-T526 HydrophobicContact CE1-CG2 3.69Å; F482-T526 HydrophobicContact CE2-CG2 3.21Å; F482-T526 HydrophobicContact CG-CG2 4.2Å; F482-T526 HydrophobicContact CZ-CG2 3.21Å
483T94.5Very high86.6Confident0 Ų039.3 Ų39.30%019%0.192CC..EExtended strand (participates in β ladder)trans-115.1131.1-162.457.80000111.3L456 C481 V495 L498 T505 A506 E507L456-T483 HydrophobicContact CB-CG2 4.29Å; L456-T483 HydrophobicContact CD2-CG2 4.29Å; C481-T483 HydrophobicContact CB-CG2 4.24Å; T483-V495 WeakPolarHBondContact CB-O 3.48Å; T483-V495 WeakPolarHBondContact OG1-CG1 3.26Å; T483-V495 PolarHBondContact OG1-O 3.22Å; T483-L498 HydrophobicContact CG2-CB 3.88Å; T483-T505 PolarHBondContact N-O 3.37Å; T483-A506 WeakPolarHBondContact O-CA 3.49Å; T483-A506 WeakPolarHBondContact OG1-CA 3.29Å; T483-A506 WeakPolarHBondContact OG1-CB 3.37Å; T483-E507 PolarHBondContact O-N 2.96Å
484F93.6Very high86.6Confident3 Ų337.5 Ų37.51%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-121.7105.7-175.1-59-84.5000110.2F455 L456 L457 T458 F482 E507 L515 K518 M519 S522F455-F484 AromaticContact CD1-CE2 3.77Å; F455-F484 HydrophobicContact CD1-CE2 3.77Å; F455-F484 HydrophobicContact CD1-CZ 4.27Å; F455-F484 HydrophobicContact CE1-CE2 4.42Å; L456-F484 PolarHBondContact O-N 3.23Å; L457-F484 HydrophobicContact CD1-CD2 4.16Å; L457-F484 HydrophobicContact CG-CB 4.27Å; L457-F484 HydrophobicContact CG-CD2 4.24Å; T458-F484 PolarHBondContact N-O 2.59Å; T458-F484 VanDerWaalsContact N-O 3.08Å; F482-F484 HydrophobicContact CB-CE2 4.2Å; F484-E507 WeakPolarHBondContact CA-O 3.36Å; F484-E507 HydrophobicContact CD1-CB 4.31Å; F484-E507 HydrophobicContact CE1-CB 4.4Å; F484-L515 HydrophobicContact CB-CD1 4.36Å; F484-L515 HydrophobicContact CD1-CD1 4.09Å; F484-L515 HydrophobicContact CG-CD1 4.41Å; F484-K518 HydrophobicContact CE1-CB 4.37Å; F484-M519 HydrophobicContact CD1-CG 4.19Å; F484-M519 HydrophobicContact CE1-CG 3.91Å; F484-M519 HydrophobicContact CE2-CG 4.37Å; F484-M519 HydrophobicContact CZ-CG 4Å; F484-S522 WeakPolarHBondContact CZ-OG 3.44Å
485G92.1Very high86.9Confident1 Ų135.6 Ų35.61%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-84113.9172.800000110.6E507 F508 L509G485-E507 PolarHBondContact N-O 3.3Å; G485-F508 CarbonylContact O-C 3.14Å; G485-F508 WeakPolarHBondContact O-CA 3.3Å; G485-L509 PolarHBondContact O-N 2.89Å
486I89.6Confident87.1Confident2 Ų238.5 Ų38.51%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-97.3112.7-174.4-63.8172000109.8M366 N370 V374 L457 T458 D459 L509 L515M366-I486 HydrophobicContact CE-CD1 4.04Å; N370-I486 HydrophobicContact CB-CG2 4.26Å; V374-I486 HydrophobicContact CG2-CD1 3.52Å; L457-I486 HydrophobicContact CB-CD1 4.28Å; T458-I486 PolarHBondContact O-N 3.45Å; D459-I486 WeakPolarHBondContact CA-O 3.29Å; D459-I486 HydrophobicContact CB-CB 4.13Å; D459-I486 HydrophobicContact CB-CG2 4.42Å; D459-I486 WeakPolarHBondContact CB-O 3.45Å; I486-L509 HydrophobicContact CG2-CD2 4.45Å; I486-L515 HydrophobicContact CD1-CD2 4.17Å
487G82.8Confident87.3Confident18 Ų1838.1 Ų38.119%0.18618%0.184CC..SBendtrans73.9174.417900000114.5N489 A490 L509G487-N489 PolarHBondContact O-N 2.83Å; G487-N489 VanDerWaalsContact O-N 3.16Å; G487-A490 PolarHBondContact O-N 2.98Å; G487-L509 WeakPolarHBondContact CA-O 3.34Å; G487-L509 PolarHBondContact N-O 2.94Å
488Q77Confident87.9Confident155 Ų15535.5 Ų35.572%0.72417%0.174SC*.THydrogen-bonded Turntrans-67.8-16.5-168-168.461.21700114.9
489N77.3Confident88.5Confident138 Ų13833 Ų3374%0.73817%0.166SC*.THydrogen-bonded Turntrans-87.4-9.1-178.2-65.5-20.9000113.9D459 G487 C491D459-N489 CarbonylContact O-C 3.57Å; D459-N489 VanDerWaalsContact O-C 3.3Å; G487-N489 PolarHBondContact O-N 2.83Å; G487-N489 VanDerWaalsContact O-N 3.16Å; N489-C491 PolarHBondContact O-N 2.85Å
490A84.9Confident88.6Confident8 Ų835.6 Ų35.67%0.06619%0.188CC..SBendtrans-65.6127.5-177.200000111.3D459 G487 R492D459-A490 WeakPolarHBondContact O-CA 3.45Å; D459-A490 PolarHBondContact O-N 2.9Å; G487-A490 PolarHBondContact O-N 2.98Å; A490-R492 PolarHBondContact O-N 3.39Å
491C86.1Confident88.5Confident30 Ų3035.9 Ų35.920%0.20319%0.19CC..  trans-65.7109-176.8179.70000111.5A461 N489 L494 V495A461-C491 HydrophobicContact CB-CB 3.79Å; N489-C491 PolarHBondContact O-N 2.85Å; C491-L494 HydrophobicContact CB-CB 3.89Å; C491-L494 HydrophobicContact CB-CD2 4.47Å; C491-L494 PolarHBondContact O-N 3.27Å; C491-V495 WeakPolarHBondContact O-CG2 3.35Å; C491-V495 PolarHBondContact O-N 3.01Å
492R87Confident88.3Confident154 Ų15435.9 Ų35.958%0.58119%0.19SC*.Hα-helixtrans-57.1-54-177.1-75.4-172.8175.5-166.4-2.3112.6A490 L494 V495 Q496 F508A490-R492 PolarHBondContact O-N 3.39Å; R492-L494 VanDerWaalsContact C-N 3.29Å; R492-L494 PolarHBondContact O-N 3.02Å; R492-V495 PolarHBondContact O-N 2.99Å; R492-Q496 WeakPolarHBondContact O-CB 3.5Å; R492-Q496 PolarHBondContact O-N 3.4Å; R492-Q496 PolarHBondContact O-OE1 3.15Å; R492-F508 HydrophobicContact CB-CE1 4.47Å; R492-F508 HydrophobicContact CB-CZ 4.18Å; R492-F508 HydrophobicContact CG-CE1 3.93Å; R492-F508 HydrophobicContact CG-CZ 3.93Å
493R86.3Confident88.1Confident44 Ų4440.6 Ų40.617%0.16621%0.211CC..Hα-helixtrans-51.7-42.7176.1176.2175.8160.1-148.6-1.9113.4D111 D113 T465 I469 G497D111-R493 VanDerWaalsContact CG-NH2 3.31Å; D111-R493 IonicContact OD2-CZ 2.75Å; D111-R493 VanDerWaalsContact OD2-CZ 3.25Å; D111-R493 IonicContact OD2-NH1 3.07Å; D111-R493 PolarHBondContact OD2-NH1 3.3Å; D111-R493 IonicContact OD2-NH2 3.85Å; D111-R493 PolarHBondContact OD2-NH2 2.92Å; D113-R493 IonicContact OD1-CZ 2.7Å; D113-R493 IonicContact OD1-NH2 2.79Å; D113-R493 PolarHBondContact OD1-NH2 3.13Å; D113-R493 IonicContact OD2-CZ 2.59Å; D113-R493 IonicContact OD2-NE 2.66Å; D113-R493 PolarHBondContact OD2-NE 3.26Å; D113-R493 VanDerWaalsContact OD2-NE 3.13Å; D113-R493 IonicContact OD2-NH2 2.69Å; D113-R493 PolarHBondContact OD2-NH2 2.87Å; T465-R493 HydrophobicContact CG2-CG 4.13Å; I469-R493 HydrophobicContact CD1-CG 4.49Å; R493-G497 WeakPolarHBondContact O-CA 3Å; R493-G497 PolarHBondContact O-N 3.12Å
494L88.7Confident87.8Confident0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-67.5-49.2178.6178.162.2000111.9M434 V462 T465 V468 C491 R492 L498M434-L494 HydrophobicContact CE-CD2 3.79Å; M434-L494 HydrophobicContact SD-CD2 3.85Å; V462-L494 HydrophobicContact CB-CD2 3.94Å; V462-L494 HydrophobicContact CG2-CD2 3.62Å; T465-L494 HydrophobicContact CG2-CB 3.94Å; T465-L494 HydrophobicContact CG2-CD1 4.08Å; V468-L494 HydrophobicContact CB-CD1 4.24Å; V468-L494 HydrophobicContact CG1-CD1 3.67Å; C491-L494 HydrophobicContact CB-CB 3.89Å; C491-L494 HydrophobicContact CB-CD2 4.47Å; C491-L494 PolarHBondContact O-N 3.27Å; R492-L494 VanDerWaalsContact C-N 3.29Å; R492-L494 PolarHBondContact O-N 3.02Å; L494-L498 HydrophobicContact CD1-CD1 3.77Å; L494-L498 HydrophobicContact CD1-CG 4.25Å; L494-L498 HydrophobicContact CG-CD1 4.25Å; L494-L498 WeakPolarHBondContact O-CB 3.22Å; L494-L498 VanDerWaalsContact O-CG 3.29Å; L494-L498 WeakPolarHBondContact O-CG 3.37Å; L494-L498 PolarHBondContact O-N 3.13Å
495V91.1Very high87.7Confident0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-66.3-46.5-178.11730000110.7T458 T483 C491 R492 A499 A506 F508T458-V495 HydrophobicContact CG2-CG2 3.98Å; T483-V495 WeakPolarHBondContact CB-O 3.48Å; T483-V495 WeakPolarHBondContact OG1-CG1 3.26Å; T483-V495 PolarHBondContact OG1-O 3.22Å; C491-V495 WeakPolarHBondContact O-CG2 3.35Å; C491-V495 PolarHBondContact O-N 3.01Å; R492-V495 PolarHBondContact O-N 2.99Å; V495-A499 PolarHBondContact O-N 3.32Å; V495-A506 HydrophobicContact CG1-CB 4Å; V495-F508 HydrophobicContact CB-CE1 3.83Å; V495-F508 HydrophobicContact CB-CZ 3.79Å; V495-F508 HydrophobicContact CG1-CD1 4.48Å; V495-F508 HydrophobicContact CG1-CE1 3.76Å; V495-F508 HydrophobicContact CG1-CE2 4.32Å; V495-F508 HydrophobicContact CG1-CZ 3.66Å; V495-F508 HydrophobicContact CG2-CE1 4.22Å
496Q90.5Very high87.7Confident99 Ų9944.1 Ų44.146%0.46324%0.237SC..Hα-helixtrans-71.7-44.4178.4-72.7168.4-66.500112.7R492 L498 A499 A500 A506 F508R492-Q496 WeakPolarHBondContact O-CB 3.5Å; R492-Q496 PolarHBondContact O-N 3.4Å; R492-Q496 PolarHBondContact O-OE1 3.15Å; Q496-L498 PolarHBondContact O-N 3.39Å; Q496-A499 PolarHBondContact O-N 3.12Å; Q496-A499 VanDerWaalsContact O-N 3.17Å; Q496-A500 WeakPolarHBondContact O-CB 3.21Å; Q496-A500 PolarHBondContact O-N 3.26Å; Q496-A506 HydrophobicContact CG-CB 4.09Å; Q496-F508 HydrophobicContact CG-CE2 3.79Å; Q496-F508 HydrophobicContact CG-CZ 3.89Å
497G88.5Confident87.8Confident18 Ų1845.3 Ų45.319%0.18624%0.243CC..Hα-helixtrans-61-46.8-178.900000112.4R493 A499 A500 V501R493-G497 WeakPolarHBondContact O-CA 3Å; R493-G497 PolarHBondContact O-N 3.12Å; G497-A499 VanDerWaalsContact C-N 3.27Å; G497-A499 PolarHBondContact O-N 3.13Å; G497-A500 PolarHBondContact O-N 3.38Å; G497-V501 VanDerWaalsContact O-CB 3.25Å; G497-V501 WeakPolarHBondContact O-CB 3.14Å; G497-V501 VanDerWaalsContact O-CG2 3.31Å; G497-V501 WeakPolarHBondContact O-CG2 3.49Å; G497-V501 PolarHBondContact O-N 2.79Å
498L91.1Very high88.2Confident3 Ų347.4 Ų47.42%0.01625%0.247CC..Hα-helixtrans-59.7-35.4175-76.6174.1000113.3L456 V468 I469 V472 T483 L494 Q496 S502L456-L498 HydrophobicContact CD2-CD1 3.54Å; V468-L498 HydrophobicContact CG1-CD1 3.96Å; V468-L498 HydrophobicContact CG1-CD2 3.93Å; V468-L498 HydrophobicContact CG1-CG 4.31Å; I469-L498 HydrophobicContact CG1-CD2 4.47Å; I469-L498 HydrophobicContact CG1-CG 4.33Å; V472-L498 HydrophobicContact CB-CD2 3.8Å; V472-L498 HydrophobicContact CG1-CD2 4.24Å; V472-L498 HydrophobicContact CG2-CD2 3.57Å; T483-L498 HydrophobicContact CG2-CB 3.88Å; L494-L498 HydrophobicContact CD1-CD1 3.77Å; L494-L498 HydrophobicContact CD1-CG 4.25Å; L494-L498 HydrophobicContact CG-CD1 4.25Å; L494-L498 WeakPolarHBondContact O-CB 3.22Å; L494-L498 VanDerWaalsContact O-CG 3.29Å; L494-L498 WeakPolarHBondContact O-CG 3.37Å; L494-L498 PolarHBondContact O-N 3.13Å; Q496-L498 PolarHBondContact O-N 3.39Å; L498-S502 PolarHBondContact O-OG 3.27Å
499A91.4Very high88.7Confident5 Ų540.4 Ų40.44%0.04122%0.215CC..Hα-helixtrans-71.6-53.3173.800000111.5V495 Q496 G497 V501 S502 K503 G504 T505 A506V495-A499 PolarHBondContact O-N 3.32Å; Q496-A499 PolarHBondContact O-N 3.12Å; Q496-A499 VanDerWaalsContact O-N 3.17Å; G497-A499 VanDerWaalsContact C-N 3.27Å; G497-A499 PolarHBondContact O-N 3.13Å; A499-V501 PolarHBondContact O-N 2.7Å; A499-S502 CarbonylContact O-C 3.58Å; A499-S502 PolarHBondContact O-N 2.93Å; A499-S502 PolarHBondContact O-OG 3.28Å; A499-K503 CarbonylContact O-C 3.5Å; A499-K503 PolarHBondContact O-N 3.16Å; A499-K503 VanDerWaalsContact O-N 3.13Å; A499-G504 WeakPolarHBondContact O-CA 3.13Å; A499-G504 PolarHBondContact O-N 3.31Å; A499-T505 VanDerWaalsContact CB-C 3.45Å; A499-A506 HydrophobicContact CB-CB 3.7Å
500A88.9Confident88.9Confident60 Ų6036.4 Ų36.450%0.49620%0.201SC..Hα-helixtrans-56.2-51.6-176.900000112Q496 G497 S502 K503Q496-A500 WeakPolarHBondContact O-CB 3.21Å; Q496-A500 PolarHBondContact O-N 3.26Å; G497-A500 PolarHBondContact O-N 3.38Å; A500-S502 VanDerWaalsContact C-N 3.26Å; A500-S502 PolarHBondContact O-N 3.42Å; A500-K503 WeakPolarHBondContact O-CA 3.46Å; A500-K503 PolarHBondContact O-N 3.28Å
501V89.9Confident88.4Confident12 Ų1242.4 Ų42.47%0.07323%0.232CC..Hα-helixtrans-57.8-34.9179.5164.40000113.2E55 I469 V472 R473 A476 G497 A499E55-V501 WeakPolarHBondContact OE1-CG2 3.3Å; I469-V501 HydrophobicContact CG2-CG2 3.75Å; V472-V501 HydrophobicContact CG1-CG1 4.33Å; R473-V501 HydrophobicContact CB-CG1 3.46Å; R473-V501 VanDerWaalsContact CB-CG1 3.46Å; R473-V501 HydrophobicContact CG-CG1 3.9Å; A476-V501 WeakPolarHBondContact CB-O 3.42Å; G497-V501 VanDerWaalsContact O-CB 3.25Å; G497-V501 WeakPolarHBondContact O-CB 3.14Å; G497-V501 VanDerWaalsContact O-CG2 3.31Å; G497-V501 WeakPolarHBondContact O-CG2 3.49Å; G497-V501 PolarHBondContact O-N 2.79Å; A499-V501 PolarHBondContact O-N 2.7Å
502S89.7Confident87.8Confident3 Ų344.2 Ų44.22%0.02126%0.255CS..THydrogen-bonded Turntrans-93.710.9176.664.30000113.6I479 R480 C481 L498 A499 A500 G504I479-S502 WeakPolarHBondContact O-CB 3.41Å; R480-S502 WeakPolarHBondContact CD-O 3.42Å; C481-S502 VanDerWaalsContact CB-OG 3.24Å; C481-S502 WeakPolarHBondContact CB-OG 3.33Å; C481-S502 PolarHBondContact N-OG 2.95Å; L498-S502 PolarHBondContact O-OG 3.27Å; A499-S502 CarbonylContact O-C 3.58Å; A499-S502 PolarHBondContact O-N 2.93Å; A499-S502 PolarHBondContact O-OG 3.28Å; A500-S502 VanDerWaalsContact C-N 3.26Å; A500-S502 PolarHBondContact O-N 3.42Å; S502-G504 PolarHBondContact O-N 2.73Å; S502-G504 VanDerWaalsContact O-N 3.11Å
503K88.4Confident87.6Confident100 Ų10040.4 Ų40.444%0.43524%0.244SC..THydrogen-bonded Turntrans58.112-170.6-55-173.5178.3-174.70114.9R480 A499 A500R480-K503 PolarHBondContact NH1-O 3.23Å; R480-K503 PolarHBondContact NH2-O 2.69Å; A499-K503 CarbonylContact O-C 3.5Å; A499-K503 PolarHBondContact O-N 3.16Å; A499-K503 VanDerWaalsContact O-N 3.13Å; A500-K503 WeakPolarHBondContact O-CA 3.46Å; A500-K503 PolarHBondContact O-N 3.28Å
504G89.3Confident87.3Confident9 Ų941.9 Ų41.99%0.09325%0.25CC..  trans-65.5-139.1-167.900000118C481 A499 S502 K525C481-G504 VanDerWaalsContact O-CA 3.23Å; C481-G504 WeakPolarHBondContact O-CA 3.49Å; A499-G504 WeakPolarHBondContact O-CA 3.13Å; A499-G504 PolarHBondContact O-N 3.31Å; S502-G504 PolarHBondContact O-N 2.73Å; S502-G504 VanDerWaalsContact O-N 3.11Å; G504-K525 PolarHBondContact O-NZ 3.05Å
505T90.8Very high87.2Confident34 Ų3442 Ų4221%0.20925%0.25CS..EExtended strand (participates in β ladder)trans-149.3136.5162.753.90000111.4C481 F482 T483 A499 K525C481-T505 PolarHBondContact O-N 3.4Å; F482-T505 WeakPolarHBondContact CA-O 3.3Å; F482-T505 WeakPolarHBondContact CD1-OG1 3.47Å; T483-T505 PolarHBondContact N-O 3.37Å; A499-T505 VanDerWaalsContact CB-C 3.45Å; T505-K525 HydrophobicContact CG2-CD 3.68Å; T505-K525 VanDerWaalsContact CG2-NZ 3.28Å
506A92.8Very high86.9Confident34 Ų3443.1 Ų43.128%0.28126%0.256SS..EExtended strand (participates in β ladder)trans-105.2131.5170.700000110.3T483 V495 Q496 A499T483-A506 WeakPolarHBondContact O-CA 3.49Å; T483-A506 WeakPolarHBondContact OG1-CA 3.29Å; T483-A506 WeakPolarHBondContact OG1-CB 3.37Å; V495-A506 HydrophobicContact CG1-CB 4Å; Q496-A506 HydrophobicContact CG-CB 4.09Å; A499-A506 HydrophobicContact CB-CB 3.7Å
507E92Very high86.5Confident28 Ų2840.2 Ų40.213%0.13125%0.245CC..EExtended strand (participates in β ladder)trans-130.2139.4171-59.1-156.6155.300111.1T483 F484 G485 K518 K521T483-E507 PolarHBondContact O-N 2.96Å; F484-E507 WeakPolarHBondContact CA-O 3.36Å; F484-E507 HydrophobicContact CD1-CB 4.31Å; F484-E507 HydrophobicContact CE1-CB 4.4Å; G485-E507 PolarHBondContact N-O 3.3Å; E507-K518 HydrophobicContact CB-CD 4.36Å; E507-K518 VanDerWaalsContact OE2-CA 3.29Å; E507-K518 WeakPolarHBondContact OE2-CA 3.44Å; E507-K518 WeakPolarHBondContact OE2-CB 3.41Å; E507-K518 WeakPolarHBondContact OE2-CG 3.37Å; E507-K521 WeakPolarHBondContact OE1-CD 3.19Å; E507-K521 WeakPolarHBondContact OE1-CE 3.42Å; E507-K521 IonicContact OE1-NZ 2.72Å; E507-K521 PolarHBondContact OE1-NZ 3.2Å
508F90.3Very high86.5Confident61 Ų6141.3 Ų41.327%0.26825%0.245SC..EExtended strand (participates in β ladder)trans-107.3146.2176.9-64.1-85.7000110.4G485 R492 V495 Q496 K518G485-F508 CarbonylContact O-C 3.14Å; G485-F508 WeakPolarHBondContact O-CA 3.3Å; R492-F508 HydrophobicContact CB-CE1 4.47Å; R492-F508 HydrophobicContact CB-CZ 4.18Å; R492-F508 HydrophobicContact CG-CE1 3.93Å; R492-F508 HydrophobicContact CG-CZ 3.93Å; V495-F508 HydrophobicContact CB-CE1 3.83Å; V495-F508 HydrophobicContact CB-CZ 3.79Å; V495-F508 HydrophobicContact CG1-CD1 4.48Å; V495-F508 HydrophobicContact CG1-CE1 3.76Å; V495-F508 HydrophobicContact CG1-CE2 4.32Å; V495-F508 HydrophobicContact CG1-CZ 3.66Å; V495-F508 HydrophobicContact CG2-CE1 4.22Å; Q496-F508 HydrophobicContact CG-CE2 3.79Å; Q496-F508 HydrophobicContact CG-CZ 3.89Å; F508-K518 PolarHBondContact O-NZ 2.96Å
509L87.8Confident86.3Confident8 Ų841.2 Ų41.24%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-108.6109.9178.4-166.476000110.1G485 I486 G487 E513 R514 L515 K518G485-L509 PolarHBondContact O-N 2.89Å; I486-L509 HydrophobicContact CG2-CD2 4.45Å; G487-L509 WeakPolarHBondContact CA-O 3.34Å; G487-L509 PolarHBondContact N-O 2.94Å; L509-E513 HydrophobicContact CD1-CB 3.54Å; L509-E513 HydrophobicContact CG-CB 4.13Å; L509-R514 WeakPolarHBondContact CD1-O 3.26Å; L509-L515 HydrophobicContact CD1-CB 4.39Å; L509-L515 HydrophobicContact CD2-CB 4.14Å; L509-K518 HydrophobicContact CD1-CD 4.27Å
510A81.6Confident86Confident54 Ų5441.1 Ų41.145%0.44624%0.243SC..  trans-78.8166.6173.200000111.8G512 E513A510-G512 PolarHBondContact O-N 2.96Å; A510-E513 HydrophobicContact CB-CG 4.13Å; A510-E513 WeakPolarHBondContact CB-OE2 3.29Å; A510-E513 PolarHBondContact N-OE2 3.43Å; A510-E513 WeakPolarHBondContact O-CB 3.46Å; A510-E513 PolarHBondContact O-N 3.33Å; A510-E513 VanDerWaalsContact O-N 3.13Å
511D74.8Confident85.8Confident135 Ų13543.8 Ų43.872%0.72224%0.243SC*.THydrogen-bonded Turntrans-66.8127.7-177.5-75.8-49.7000112.6E513D511-E513 VanDerWaalsContact C-N 3.32Å
512G72.9Confident85.8Confident67 Ų6743.3 Ų43.369%0.69124%0.241SC*.THydrogen-bonded Turntrans89.9-17.1-174.600000114.3A510A510-G512 PolarHBondContact O-N 2.96Å
513E81.9Confident85.6Confident75 Ų7543.2 Ų43.235%0.3524%0.24SC..  trans-68.6154.9175.9-69-169.111700112.7L509 A510 D511 K518L509-E513 HydrophobicContact CD1-CB 3.54Å; L509-E513 HydrophobicContact CG-CB 4.13Å; A510-E513 HydrophobicContact CB-CG 4.13Å; A510-E513 WeakPolarHBondContact CB-OE2 3.29Å; A510-E513 PolarHBondContact N-OE2 3.43Å; A510-E513 WeakPolarHBondContact O-CB 3.46Å; A510-E513 PolarHBondContact O-N 3.33Å; A510-E513 VanDerWaalsContact O-N 3.13Å; D511-E513 VanDerWaalsContact C-N 3.32Å; E513-K518 VanDerWaalsContact OE1-CE 3.3Å; E513-K518 WeakPolarHBondContact OE1-CE 3.21Å; E513-K518 IonicContact OE1-NZ 2.78Å; E513-K518 PolarHBondContact OE1-NZ 3.47Å; E513-K518 WeakPolarHBondContact OE2-CE 3.31Å; E513-K518 IonicContact OE2-NZ 2.77Å; E513-K518 PolarHBondContact OE2-NZ 3.39Å
514R81.4Confident85.3Confident75 Ų7541.8 Ų41.828%0.28323%0.234SC..  trans-97.1138.5175.8-69.2-179.662.1-147.8-0.9110.7L509 P517L509-R514 WeakPolarHBondContact CD1-O 3.26Å; R514-P517 HydrophobicContact CB-CG 4.28Å; R514-P517 WeakPolarHBondContact O-CD 3.23Å
515L86Confident84.9Confident3 Ų345.8 Ų45.82%0.01625%0.249CC..Hα-helixtrans-80.7-26.9179.3-176.159.4000112.2V374 A377 L457 F484 I486 L509 K518 M519V374-L515 HydrophobicContact CG2-CD2 4.07Å; A377-L515 HydrophobicContact CB-CB 4.11Å; A377-L515 HydrophobicContact CB-CD2 4Å; A377-L515 HydrophobicContact CB-CG 3.96Å; L457-L515 HydrophobicContact CD2-CD2 4.14Å; F484-L515 HydrophobicContact CB-CD1 4.36Å; F484-L515 HydrophobicContact CD1-CD1 4.09Å; F484-L515 HydrophobicContact CG-CD1 4.41Å; I486-L515 HydrophobicContact CD1-CD2 4.17Å; L509-L515 HydrophobicContact CD1-CB 4.39Å; L509-L515 HydrophobicContact CD2-CB 4.14Å; L515-K518 PolarHBondContact O-N 3.46Å; L515-M519 HydrophobicContact CD1-CG 3.9Å; L515-M519 HydrophobicContact CD1-SD 4.19Å; L515-M519 HydrophobicContact CD2-SD 3.88Å; L515-M519 HydrophobicContact CG-CG 3.88Å; L515-M519 HydrophobicContact CG-SD 3.68Å; L515-M519 WeakPolarHBondContact O-CB 3.41Å; L515-M519 WeakPolarHBondContact O-CG 3.39Å; L515-M519 PolarHBondContact O-N 3.4Å
516Q84.7Confident84.5Confident23 Ų2344.2 Ų44.211%0.10724%0.239CC..Hα-helixtrans-56-50.6-178-62.379.74.600113.7A377 V380 K518 M519 I520A377-Q516 HydrophobicContact CB-CG 4.07Å; V380-Q516 HydrophobicContact CG2-CG 4.5Å; Q516-K518 VanDerWaalsContact C-N 3.33Å; Q516-K518 PolarHBondContact O-N 3.11Å; Q516-M519 PolarHBondContact O-N 2.76Å; Q516-I520 WeakPolarHBondContact O-CB 3.41Å; Q516-I520 VanDerWaalsContact O-CG1 3.32Å; Q516-I520 WeakPolarHBondContact O-CG1 3.4Å; Q516-I520 PolarHBondContact O-N 3.22Å
517P83.2Confident83.8Confident38 Ų3842.8 Ų42.825%0.24723%0.227CC..Hα-helixtrans-63.1-39.8-177.3-22.335.5000112.3R514 I520 K521 E1209R514-P517 HydrophobicContact CB-CG 4.28Å; R514-P517 WeakPolarHBondContact O-CD 3.23Å; P517-I520 PolarHBondContact O-N 3.26Å; P517-K521 VanDerWaalsContact O-CB 3.22Å; P517-K521 WeakPolarHBondContact O-CB 3.36Å; P517-K521 PolarHBondContact O-N 2.99Å; P517-E1209 WeakPolarHBondContact CB-OE1 3.47Å; P517-E1209 VanDerWaalsContact CG-OE1 3.24Å; P517-E1209 WeakPolarHBondContact CG-OE1 3.31Å
518K87.3Confident83.1Confident41 Ų4142.7 Ų42.718%0.17823%0.229CC..Hα-helixtrans-65.2-45.6179.7-62.3-155.2-173.1-162.20111.9F484 E507 F508 L509 E513 L515 Q516 S522F484-K518 HydrophobicContact CE1-CB 4.37Å; E507-K518 HydrophobicContact CB-CD 4.36Å; E507-K518 VanDerWaalsContact OE2-CA 3.29Å; E507-K518 WeakPolarHBondContact OE2-CA 3.44Å; E507-K518 WeakPolarHBondContact OE2-CB 3.41Å; E507-K518 WeakPolarHBondContact OE2-CG 3.37Å; F508-K518 PolarHBondContact O-NZ 2.96Å; L509-K518 HydrophobicContact CD1-CD 4.27Å; E513-K518 VanDerWaalsContact OE1-CE 3.3Å; E513-K518 WeakPolarHBondContact OE1-CE 3.21Å; E513-K518 IonicContact OE1-NZ 2.78Å; E513-K518 PolarHBondContact OE1-NZ 3.47Å; E513-K518 WeakPolarHBondContact OE2-CE 3.31Å; E513-K518 IonicContact OE2-NZ 2.77Å; E513-K518 PolarHBondContact OE2-NZ 3.39Å; L515-K518 PolarHBondContact O-N 3.46Å; Q516-K518 VanDerWaalsContact C-N 3.33Å; Q516-K518 PolarHBondContact O-N 3.11Å; K518-S522 WeakPolarHBondContact O-CB 3.25Å; K518-S522 PolarHBondContact O-N 2.79Å; K518-S522 VanDerWaalsContact O-N 3.09Å; K518-S522 PolarHBondContact O-OG 3.23Å
519M87.9Confident82.5Confident1 Ų140.5 Ų40.51%0.00522%0.221CC..Hα-helixtrans-65.8-40.4173.7-72.5-168.179.600112.7A377 M378 I381 L457 F484 L515 Q516 S522 L523A377-M519 HydrophobicContact CB-SD 3.69Å; M378-M519 HydrophobicContact SD-CE 3.99Å; I381-M519 HydrophobicContact CD1-CB 4.15Å; I381-M519 HydrophobicContact CD1-CE 3.89Å; I381-M519 HydrophobicContact CG2-CE 4.04Å; L457-M519 HydrophobicContact CD1-CE 4.02Å; L457-M519 HydrophobicContact CD2-CE 3.97Å; L457-M519 HydrophobicContact CD2-SD 3.98Å; L457-M519 HydrophobicContact CG-CE 4.41Å; F484-M519 HydrophobicContact CD1-CG 4.19Å; F484-M519 HydrophobicContact CE1-CG 3.91Å; F484-M519 HydrophobicContact CE2-CG 4.37Å; F484-M519 HydrophobicContact CZ-CG 4Å; L515-M519 HydrophobicContact CD1-CG 3.9Å; L515-M519 HydrophobicContact CD1-SD 4.19Å; L515-M519 HydrophobicContact CD2-SD 3.88Å; L515-M519 HydrophobicContact CG-CG 3.88Å; L515-M519 HydrophobicContact CG-SD 3.68Å; L515-M519 WeakPolarHBondContact O-CB 3.41Å; L515-M519 WeakPolarHBondContact O-CG 3.39Å; L515-M519 PolarHBondContact O-N 3.4Å; Q516-M519 PolarHBondContact O-N 2.76Å; M519-S522 PolarHBondContact O-N 3.3Å; M519-L523 WeakPolarHBondContact O-CB 3.4Å; M519-L523 PolarHBondContact O-N 3.28Å
520I84.6Confident82.3Confident2 Ų240.7 Ų40.71%0.0122%0.222CC..Hα-helixtrans-70.7-40.5178.4-72-66000112.5V380 S384 Q516 P517 S522 L523 K524 L1212V380-I520 HydrophobicContact CG1-CD1 4.21Å; V380-I520 HydrophobicContact CG1-CG1 4.35Å; S384-I520 WeakPolarHBondContact OG-CD1 3.41Å; Q516-I520 WeakPolarHBondContact O-CB 3.41Å; Q516-I520 VanDerWaalsContact O-CG1 3.32Å; Q516-I520 WeakPolarHBondContact O-CG1 3.4Å; Q516-I520 PolarHBondContact O-N 3.22Å; P517-I520 PolarHBondContact O-N 3.26Å; I520-S522 VanDerWaalsContact C-N 3.3Å; I520-S522 PolarHBondContact O-N 2.95Å; I520-L523 HydrophobicContact CD1-CD2 4.4Å; I520-L523 PolarHBondContact O-N 3.49Å; I520-K524 PolarHBondContact O-N 3.36Å; I520-L1212 HydrophobicContact CG2-CD1 4.29Å
521K85.2Confident82.5Confident116 Ų11638.1 Ų38.150%0.50420%0.201SC..Hα-helixtrans-57.4-44.5171.2175.9-168.8171.5-161.60111.3E507 P517 K524 K525E507-K521 WeakPolarHBondContact OE1-CD 3.19Å; E507-K521 WeakPolarHBondContact OE1-CE 3.42Å; E507-K521 IonicContact OE1-NZ 2.72Å; E507-K521 PolarHBondContact OE1-NZ 3.2Å; P517-K521 VanDerWaalsContact O-CB 3.22Å; P517-K521 WeakPolarHBondContact O-CB 3.36Å; P517-K521 PolarHBondContact O-N 2.99Å; K521-K524 PolarHBondContact O-N 3.03Å; K521-K525 PolarHBondContact O-N 3.01Å; K521-K525 VanDerWaalsContact O-N 3.09Å
522S88.8Confident83.1Confident3 Ų332 Ų322%0.02117%0.169CC..Hα-helixtrans-66.8-41.8176-60.20000111.7F484 K518 M519 I520 K524 K525 T526F484-S522 WeakPolarHBondContact CZ-OG 3.44Å; K518-S522 WeakPolarHBondContact O-CB 3.25Å; K518-S522 PolarHBondContact O-N 2.79Å; K518-S522 VanDerWaalsContact O-N 3.09Å; K518-S522 PolarHBondContact O-OG 3.23Å; M519-S522 PolarHBondContact O-N 3.3Å; I520-S522 VanDerWaalsContact C-N 3.3Å; I520-S522 PolarHBondContact O-N 2.95Å; S522-K524 VanDerWaalsContact C-N 3.32Å; S522-K524 PolarHBondContact O-N 2.79Å; S522-K525 WeakPolarHBondContact O-CB 3.4Å; S522-K525 PolarHBondContact O-N 3.19Å; S522-K525 VanDerWaalsContact O-N 3.1Å; S522-T526 PolarHBondContact O-N 3.28Å; S522-T526 PolarHBondContact O-OG1 3.01Å
523L86.6Confident83.7Confident0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-59.4-43.2174.2-171.772.7000111.2F356 I381 L385 F455 M519 I520 K525 T526 M527 L1212F356-L523 HydrophobicContact CD1-CD1 3.99Å; F356-L523 HydrophobicContact CE1-CD1 3.56Å; F356-L523 HydrophobicContact CZ-CD1 4.42Å; I381-L523 HydrophobicContact CD1-CB 4.1Å; I381-L523 HydrophobicContact CD1-CD1 4.16Å; I381-L523 HydrophobicContact CG1-CB 4.28Å; I381-L523 HydrophobicContact CG1-CD1 4.16Å; I381-L523 HydrophobicContact CG1-CD2 3.9Å; I381-L523 HydrophobicContact CG1-CG 4.33Å; L385-L523 HydrophobicContact CD2-CD1 3.82Å; F455-L523 HydrophobicContact CZ-CD1 4.21Å; M519-L523 WeakPolarHBondContact O-CB 3.4Å; M519-L523 PolarHBondContact O-N 3.28Å; I520-L523 HydrophobicContact CD1-CD2 4.4Å; I520-L523 PolarHBondContact O-N 3.49Å; L523-K525 VanDerWaalsContact C-N 3.32Å; L523-K525 PolarHBondContact O-N 3.04Å; L523-T526 VanDerWaalsContact CA-OG1 3.29Å; L523-T526 WeakPolarHBondContact CA-OG1 3.07Å; L523-T526 CarbonylContact O-C 3.5Å; L523-T526 PolarHBondContact O-N 3.33Å; L523-T526 VanDerWaalsContact O-N 3.11Å; L523-T526 PolarHBondContact O-OG1 3.5Å; L523-M527 HydrophobicContact CD1-CE 4.05Å; L523-M527 HydrophobicContact CG-CE 4.4Å; L523-M527 HydrophobicContact CG-CG 4.21Å; L523-M527 WeakPolarHBondContact O-CB 3.21Å; L523-M527 VanDerWaalsContact O-CG 3.26Å; L523-M527 WeakPolarHBondContact O-CG 3.48Å; L523-M527 PolarHBondContact O-N 2.73Å; L523-L1212 HydrophobicContact CD2-CD1 4.09Å
524K81.3Confident84Confident71 Ų7127.6 Ų27.631%0.30913%0.132SC..Hα-helixtrans-60.5-40174.7-168.8-172.9175-175.10111.8I520 K521 S522 T526 M527 E1211 L1212I520-K524 PolarHBondContact O-N 3.36Å; K521-K524 PolarHBondContact O-N 3.03Å; S522-K524 VanDerWaalsContact C-N 3.32Å; S522-K524 PolarHBondContact O-N 2.79Å; K524-T526 VanDerWaalsContact C-N 3.35Å; K524-M527 PolarHBondContact O-N 3.31Å; K524-E1211 WeakPolarHBondContact CE-OE1 3.44Å; K524-E1211 WeakPolarHBondContact CE-OE2 3.08Å; K524-E1211 IonicContact NZ-OE1 3.3Å; K524-E1211 PolarHBondContact NZ-OE1 3.09Å; K524-E1211 IonicContact NZ-OE2 2.76Å; K524-E1211 PolarHBondContact NZ-OE2 3Å; K524-L1212 HydrophobicContact CB-CD1 4.38Å
525K81.9Confident84.4Confident92 Ų9226.3 Ų26.340%0.414%0.135SC..Hα-helixtrans-63.6-37.9173.6-171.9179.6175.2-174.90111.8F482 G504 T505 K521 S522 L523 S528F482-K525 HydrophobicContact CE1-CD 4.33Å; G504-K525 PolarHBondContact O-NZ 3.05Å; T505-K525 HydrophobicContact CG2-CD 3.68Å; T505-K525 VanDerWaalsContact CG2-NZ 3.28Å; K521-K525 PolarHBondContact O-N 3.01Å; K521-K525 VanDerWaalsContact O-N 3.09Å; S522-K525 WeakPolarHBondContact O-CB 3.4Å; S522-K525 PolarHBondContact O-N 3.19Å; S522-K525 VanDerWaalsContact O-N 3.1Å; L523-K525 VanDerWaalsContact C-N 3.32Å; L523-K525 PolarHBondContact O-N 3.04Å; K525-S528 PolarHBondContact O-OG 3.24Å; K525-S528 VanDerWaalsContact O-OG 3.1Å
526T82.8Confident84.6Confident2 Ų227.9 Ų27.91%0.01214%0.142CC..Hα-helixtrans-73.1-27.6174.749.90000114.5L453 F455 F482 S522 L523 K524 S528L453-T526 HydrophobicContact CD1-CG2 4.24Å; L453-T526 HydrophobicContact CD2-CG2 3.78Å; L453-T526 HydrophobicContact CG-CG2 4.42Å; F455-T526 HydrophobicContact CE2-CG2 3.96Å; F455-T526 HydrophobicContact CZ-CG2 3.82Å; F482-T526 HydrophobicContact CD1-CG2 4.15Å; F482-T526 HydrophobicContact CD2-CG2 3.73Å; F482-T526 HydrophobicContact CE1-CG2 3.69Å; F482-T526 HydrophobicContact CE2-CG2 3.21Å; F482-T526 HydrophobicContact CG-CG2 4.2Å; F482-T526 HydrophobicContact CZ-CG2 3.21Å; S522-T526 PolarHBondContact O-N 3.28Å; S522-T526 PolarHBondContact O-OG1 3.01Å; L523-T526 VanDerWaalsContact CA-OG1 3.29Å; L523-T526 WeakPolarHBondContact CA-OG1 3.07Å; L523-T526 CarbonylContact O-C 3.5Å; L523-T526 PolarHBondContact O-N 3.33Å; L523-T526 VanDerWaalsContact O-N 3.11Å; L523-T526 PolarHBondContact O-OG1 3.5Å; K524-T526 VanDerWaalsContact C-N 3.35Å; T526-S528 PolarHBondContact O-N 2.88Å
527M77.4Confident85Confident4 Ų431 Ų312%0.0216%0.157CC..THydrogen-bonded Turntrans-82.312.8179-68.6-70.3-177.100113L349 V352 F356 L385 V386 L523 K524L349-M527 HydrophobicContact CD2-CB 4.29Å; L349-M527 WeakPolarHBondContact CD2-O 3.46Å; V352-M527 HydrophobicContact CG1-CB 4.49Å; V352-M527 HydrophobicContact CG1-SD 3.84Å; F356-M527 HydrophobicContact CE1-CE 3.99Å; F356-M527 HydrophobicContact CE2-CE 3.89Å; F356-M527 HydrophobicContact CZ-CE 3.38Å; F356-M527 HydrophobicContact CZ-SD 3.91Å; L385-M527 HydrophobicContact CD2-CE 3.92Å; V386-M527 HydrophobicContact CB-CE 4.45Å; V386-M527 HydrophobicContact CG2-CE 4Å; V386-M527 HydrophobicContact CG2-SD 3.96Å; L523-M527 HydrophobicContact CD1-CE 4.05Å; L523-M527 HydrophobicContact CG-CE 4.4Å; L523-M527 HydrophobicContact CG-CG 4.21Å; L523-M527 WeakPolarHBondContact O-CB 3.21Å; L523-M527 VanDerWaalsContact O-CG 3.26Å; L523-M527 WeakPolarHBondContact O-CG 3.48Å; L523-M527 PolarHBondContact O-N 2.73Å; K524-M527 PolarHBondContact O-N 3.31Å
528S76.9Confident85.3Confident25 Ų2530.6 Ų30.618%0.17515%0.151CC..SBendtrans-70.9151.5166.266.40000110.9K525 T526 V530 P558K525-S528 PolarHBondContact O-OG 3.24Å; K525-S528 VanDerWaalsContact O-OG 3.1Å; T526-S528 PolarHBondContact O-N 2.88Å; S528-V530 WeakPolarHBondContact O-CG2 3.37Å; S528-V530 PolarHBondContact O-N 2.85Å; S528-P558 VanDerWaalsContact OG-CD 3.3Å; S528-P558 WeakPolarHBondContact OG-CD 3.49Å
529P77.3Confident85.5Confident15 Ų1532.2 Ų32.210%0.09716%0.161CC..  trans-56.7134.2171.325.9-36.4000111.7L342 C346 L826L342-P529 HydrophobicContact CB-CG 4.31Å; L342-P529 WeakPolarHBondContact O-CG 3.18Å; C346-P529 HydrophobicContact CB-CB 3.85Å; C346-P529 HydrophobicContact CB-CG 4.32Å; C346-P529 WeakPolarHBondContact O-CG 3.49Å; P529-L826 HydrophobicContact CB-CD1 4.27Å
530V83.2Confident85.5Confident12 Ų1233.9 Ų33.97%0.07317%0.168CC..  trans-118.7137.4179.7-173.80000108.5P451 S528 F555 L556 F557 L826P451-V530 HydrophobicContact CB-CG1 4.38Å; P451-V530 HydrophobicContact CG-CB 4.25Å; P451-V530 HydrophobicContact CG-CG1 4.02Å; P451-V530 HydrophobicContact CG-CG2 4.19Å; S528-V530 WeakPolarHBondContact O-CG2 3.37Å; S528-V530 PolarHBondContact O-N 2.85Å; V530-F555 HydrophobicContact CG1-CB 4.03Å; V530-L556 WeakPolarHBondContact CG1-O 3.48Å; V530-F557 HydrophobicContact CG1-CD2 4.47Å; V530-F557 HydrophobicContact CG1-CE2 4.25Å; V530-F557 HydrophobicContact CG1-CZ 4.26Å; V530-F557 HydrophobicContact CG2-CD1 3.66Å; V530-F557 HydrophobicContact CG2-CE1 3.4Å; V530-F557 HydrophobicContact CG2-CG 4.33Å; V530-F557 HydrophobicContact CG2-CZ 3.86Å; V530-L826 WeakPolarHBondContact O-CD1 3.26Å
531L87.2Confident85.6Confident0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-90.4114.8165.2-176.270.3000107.3F338 P340 L342 I534 F555 L556 L826 W833F338-L531 HydrophobicContact CE1-CD2 4.45Å; P340-L531 HydrophobicContact CG-CD2 4.28Å; L342-L531 HydrophobicContact CD1-CB 4.18Å; L342-L531 HydrophobicContact CD2-CB 3.91Å; L531-I534 HydrophobicContact CB-CD1 4.09Å; L531-I534 HydrophobicContact CB-CG1 4.48Å; L531-I534 HydrophobicContact CD2-CD1 3.62Å; L531-I534 HydrophobicContact CD2-CG1 3.85Å; L531-I534 HydrophobicContact CG-CD1 3.69Å; L531-I534 HydrophobicContact CG-CG1 3.68Å; L531-I534 WeakPolarHBondContact O-CD1 3.36Å; L531-F555 CarbonylContact O-C 3.58Å; L531-F555 WeakPolarHBondContact O-CA 3.24Å; L531-F555 WeakPolarHBondContact O-CB 3.3Å; L531-L556 HydrophobicContact CD2-CD1 4.43Å; L531-L556 PolarHBondContact N-O 2.97Å; L531-L556 VanDerWaalsContact N-O 3.14Å; L531-L556 PolarHBondContact O-N 3.13Å; L531-L826 HydrophobicContact CD1-CB 3.84Å; L531-W833 HydrophobicContact CD1-CH2 4Å; L531-W833 HydrophobicContact CD1-CZ3 4.23Å; L531-W833 HydrophobicContact CD2-CH2 3.86Å; L531-W833 HydrophobicContact CD2-CZ3 3.88Å
532S86.9Confident85.4Confident7 Ų738.9 Ų38.95%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-111172.4-17977.60000112G449 I534 L825G449-S532 VanDerWaalsContact CA-OG 3.27Å; G449-S532 WeakPolarHBondContact CA-OG 3.1Å; S532-I534 PolarHBondContact O-N 2.8Å; S532-I534 VanDerWaalsContact O-N 3.14Å; S532-L825 PolarHBondContact N-O 2.89Å; S532-L825 PolarHBondContact O-N 2.88Å
533D84.6Confident85.2Confident46 Ų4640.8 Ų40.825%0.24621%0.209CC..EExtended strand (participates in β ladder)trans52.137.5176.2-66.1-61.2000113.1S448 G449 S535 N553 T554 L825S448-D533 VanDerWaalsContact CA-OD2 3.3Å; S448-D533 WeakPolarHBondContact CA-OD2 3.37Å; S448-D533 WeakPolarHBondContact CB-OD2 3.43Å; S448-D533 PolarHBondContact OG-OD2 2.75Å; G449-D533 PolarHBondContact N-OD2 2.75Å; D533-S535 PolarHBondContact O-N 3.13Å; D533-N553 PolarHBondContact OD1-ND2 3.01Å; D533-N553 VanDerWaalsContact OD1-ND2 3.08Å; D533-T554 PolarHBondContact N-O 2.87Å; D533-L825 HydrophobicContact CB-CD1 4.34Å; D533-L825 HydrophobicContact CB-CG 4.37Å
534I89.4Confident85.3Confident3 Ų341.9 Ų41.92%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-72.3130.2-175.9-61.1169000109.5L531 S532 N553 T554 L556 L562 V822 S823L531-I534 HydrophobicContact CB-CD1 4.09Å; L531-I534 HydrophobicContact CB-CG1 4.48Å; L531-I534 HydrophobicContact CD2-CD1 3.62Å; L531-I534 HydrophobicContact CD2-CG1 3.85Å; L531-I534 HydrophobicContact CG-CD1 3.69Å; L531-I534 HydrophobicContact CG-CG1 3.68Å; L531-I534 WeakPolarHBondContact O-CD1 3.36Å; S532-I534 PolarHBondContact O-N 2.8Å; S532-I534 VanDerWaalsContact O-N 3.14Å; I534-N553 WeakPolarHBondContact O-CA 3.49Å; I534-T554 HydrophobicContact CB-CG2 3.88Å; I534-T554 WeakPolarHBondContact CB-O 3.48Å; I534-T554 HydrophobicContact CD1-CG2 4.35Å; I534-T554 HydrophobicContact CG2-CG2 4.16Å; I534-T554 PolarHBondContact N-O 2.86Å; I534-T554 PolarHBondContact O-N 3.49Å; I534-L556 HydrophobicContact CD1-CB 4.12Å; I534-L556 HydrophobicContact CD1-CD1 3.75Å; I534-L556 HydrophobicContact CD1-CG 3.52Å; I534-L562 HydrophobicContact CG2-CD2 3.92Å; I534-V822 HydrophobicContact CG2-CG1 4.08Å; I534-S823 CarbonylContact C-O 3.51Å; I534-S823 VanDerWaalsContact CA-O 3.28Å; I534-S823 WeakPolarHBondContact CA-O 3.42Å
535S89.5Confident85.7Confident49 Ų4940.3 Ų40.334%0.34321%0.207SC..EExtended strand (participates in β ladder)trans-130.2149.4172.569.20000110.8D533 S823D533-S535 PolarHBondContact O-N 3.13Å; S535-S823 PolarHBondContact N-O 2.69Å; S535-S823 PolarHBondContact O-N 2.85Å; S535-S823 PolarHBondContact OG-OG 3Å
536I91.1Very high86.1Confident35 Ų3537.5 Ų37.518%0.17920%0.198CC..EExtended strand (participates in β ladder)trans-112.4107.1174.3-48.8167.3000107.7L336 W538 L562 V821L336-I536 HydrophobicContact CD2-CD1 4.19Å; L336-I536 HydrophobicContact CD2-CG1 4.37Å; L336-I536 HydrophobicContact CD2-CG2 3.65Å; I536-W538 HydrophobicContact CG2-CD2 4.24Å; I536-W538 HydrophobicContact CG2-CG 4.3Å; I536-W538 HydrophobicContact CG2-CZ2 4.2Å; I536-W538 VanDerWaalsContact CG2-NE1 3.31Å; I536-L562 HydrophobicContact CD1-CD1 4.28Å; I536-L562 HydrophobicContact CD1-CD2 4.08Å; I536-L562 HydrophobicContact CD1-CG 4.28Å; I536-L562 HydrophobicContact CG1-CD2 4.11Å; I536-V821 CarbonylContact C-O 3.57Å; I536-V821 WeakPolarHBondContact CA-O 3.47Å
537E91Very high86.5Confident90 Ų9038.9 Ų38.942%0.42121%0.205SC..EExtended strand (participates in β ladder)trans-87.2109.1173.2168-178-131.600108.2L539 V821 K832E537-L539 HydrophobicContact CG-CD2 3.89Å; E537-L539 HydrophobicContact CG-CG 4.17Å; E537-V821 HydrophobicContact CB-CB 3.96Å; E537-V821 HydrophobicContact CB-CG1 4.1Å; E537-V821 HydrophobicContact CG-CB 4.34Å; E537-V821 PolarHBondContact N-O 2.81Å; E537-V821 PolarHBondContact O-N 3.5Å; E537-V821 WeakPolarHBondContact OE2-CG1 3.38Å; E537-K832 IonicContact OE2-NZ 3.91Å; E537-K832 PolarHBondContact OE2-NZ 3.03Å
538W90.8Very high87.2Confident29 Ų2941.7 Ų41.711%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-96.6121.1176.7-65.189.7000109.9V334 L336 I536 F540 L548 A820 F837V334-W538 HydrophobicContact CB-CZ3 4.34Å; V334-W538 HydrophobicContact CG1-CH2 4.01Å; V334-W538 HydrophobicContact CG1-CZ3 3.64Å; L336-W538 HydrophobicContact CB-CH2 3.65Å; L336-W538 HydrophobicContact CB-CZ2 3.95Å; I536-W538 HydrophobicContact CG2-CD2 4.24Å; I536-W538 HydrophobicContact CG2-CG 4.3Å; I536-W538 HydrophobicContact CG2-CZ2 4.2Å; I536-W538 VanDerWaalsContact CG2-NE1 3.31Å; W538-F540 HydrophobicContact CB-CD2 4.12Å; W538-F540 HydrophobicContact CB-CE2 3.75Å; W538-F540 HydrophobicContact CD2-CE2 4.37Å; W538-F540 HydrophobicContact CE3-CE2 4.03Å; W538-F540 AromaticContact CE3-CZ 3.99Å; W538-F540 HydrophobicContact CE3-CZ 3.99Å; W538-F540 HydrophobicContact CG-CE2 4.34Å; W538-L548 HydrophobicContact CB-CD1 4.26Å; W538-L548 HydrophobicContact CB-CD2 4.05Å; W538-L548 HydrophobicContact CD2-CD2 4.39Å; W538-L548 HydrophobicContact CG-CD1 4.36Å; W538-L548 HydrophobicContact CG-CD2 3.81Å; W538-A820 HydrophobicContact CD2-CB 4.49Å; W538-A820 HydrophobicContact CE3-CB 3.89Å; W538-A820 HydrophobicContact CZ3-CB 3.9Å; W538-F837 HydrophobicContact CE3-CE1 4.42Å; W538-F837 HydrophobicContact CE3-CZ 4.32Å; W538-F837 HydrophobicContact CZ3-CE1 4.25Å; W538-F837 HydrophobicContact CZ3-CZ 4.16Å
539L90.7Very high87.9Confident75 Ų7540.6 Ų40.639%0.39321%0.212SC..EExtended strand (participates in β ladder)trans-109.1107.7-180-57176.9000109.2E537 C818 K819E537-L539 HydrophobicContact CG-CD2 3.89Å; E537-L539 HydrophobicContact CG-CG 4.17Å; L539-C818 WeakPolarHBondContact O-CA 3.34Å; L539-K819 HydrophobicContact CB-CB 4.18Å; L539-K819 HydrophobicContact CD1-CB 4.39Å; L539-K819 PolarHBondContact N-O 2.69Å; L539-K819 PolarHBondContact O-N 2.75Å
540F88.6Confident88.4Confident35 Ų3541.4 Ų41.415%0.15422%0.217CC..  trans-116.7157173.9-67.3-81.6000110.1W538 K544 V546 L548 S566 V568 C818 F837 I839W538-F540 HydrophobicContact CB-CD2 4.12Å; W538-F540 HydrophobicContact CB-CE2 3.75Å; W538-F540 HydrophobicContact CD2-CE2 4.37Å; W538-F540 HydrophobicContact CE3-CE2 4.03Å; W538-F540 AromaticContact CE3-CZ 3.99Å; W538-F540 HydrophobicContact CE3-CZ 3.99Å; W538-F540 HydrophobicContact CG-CE2 4.34Å; F540-K544 HydrophobicContact CB-CB 4.33Å; F540-V546 HydrophobicContact CB-CG1 4.46Å; F540-V546 HydrophobicContact CD2-CB 4.39Å; F540-V546 HydrophobicContact CD2-CG1 3.67Å; F540-V546 HydrophobicContact CD2-CG2 4.26Å; F540-V546 HydrophobicContact CE2-CB 4.43Å; F540-V546 HydrophobicContact CE2-CG1 3.91Å; F540-V546 HydrophobicContact CG-CG1 3.99Å; F540-V546 HydrophobicContact CZ-CG1 4.48Å; F540-L548 HydrophobicContact CE2-CD2 4.45Å; F540-S566 WeakPolarHBondContact CE2-OG 3.34Å; F540-S566 WeakPolarHBondContact CZ-OG 3.49Å; F540-V568 HydrophobicContact CD1-CG2 4.47Å; F540-V568 HydrophobicContact CE1-CG2 3.73Å; F540-V568 HydrophobicContact CE2-CG2 4.37Å; F540-V568 HydrophobicContact CZ-CG2 3.66Å; F540-C818 HydrophobicContact CD1-CB 4.15Å; F540-C818 HydrophobicContact CE1-CB 4.33Å; F540-F837 AromaticContact CE1-CE2 3.99Å; F540-F837 HydrophobicContact CE1-CE2 3.99Å; F540-F837 AromaticContact CE1-CZ 3.75Å; F540-F837 HydrophobicContact CE1-CZ 3.75Å; F540-F837 AromaticContact CZ-CZ 3.94Å; F540-F837 HydrophobicContact CZ-CZ 3.94Å; F540-I839 HydrophobicContact CE1-CD1 4.2Å
541P86.3Confident88.3Confident43 Ų4344.4 Ų44.428%0.27924%0.236SC..  trans-58.3147.1170.1-24.334.2000112.4T543 K544 D817P541-T543 PolarHBondContact O-N 2.76Å; P541-K544 HydrophobicContact CB-CG 4.37Å; P541-K544 HydrophobicContact CG-CG 4.49Å; P541-K544 PolarHBondContact O-N 3.45Å; P541-D817 HydrophobicContact CG-CB 4.38Å
542E81.3Confident87.8Confident180 Ų18046.9 Ų46.984%0.84126%0.261SS*.THydrogen-bonded Turntrans-55.1-13.5179-62.2177.9168.600114.5H575E542-H575 PolarHBondContact O-CE1 3.38Å; E542-H575 PolarHBondContact O-NE2 3.1Å
543T84.1Confident87.4Confident44 Ų4450.5 Ų50.527%0.2728%0.279SS..THydrogen-bonded Turntrans-91.25.6179.358.50000114.7P541 T571 T572 H575P541-T543 PolarHBondContact O-N 2.76Å; T543-T571 CarbonylContact O-C 3.59Å; T543-T571 PolarHBondContact O-N 3.05Å; T543-T571 PolarHBondContact O-OG1 3.02Å; T543-T572 HydrophobicContact CG2-CG2 4.07Å; T543-T572 PolarHBondContact O-N 3.2Å; T543-H575 HydrophobicContact CG2-CB 4.43Å
544K88.1Confident87.3Confident22 Ų2249.5 Ų49.510%0.09628%0.275CS..EExtended strand (participates in β ladder)trans-115.5130.6179.6-46.9-63.1175.1169.60110.1F540 P541 V546 V568 C569 D570 L843F540-K544 HydrophobicContact CB-CB 4.33Å; P541-K544 HydrophobicContact CB-CG 4.37Å; P541-K544 HydrophobicContact CG-CG 4.49Å; P541-K544 PolarHBondContact O-N 3.45Å; K544-V546 HydrophobicContact CB-CG1 4.48Å; K544-V568 HydrophobicContact CB-CG1 4.06Å; K544-C569 WeakPolarHBondContact CA-O 3.46Å; K544-D570 IonicContact NZ-OD2 3.02Å; K544-D570 PolarHBondContact NZ-OD2 2.89Å; K544-L843 HydrophobicContact CD-CD1 4.33Å
545E90.1Very high87.2Confident38 Ų3850.4 Ų50.418%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-95.6132.1171.3-80.1-65.3152.300109.2V317 H321 L324 C569 T571V317-E545 HydrophobicContact CG1-CG 3.69Å; V317-E545 WeakPolarHBondContact CG1-OE1 3.32Å; H321-E545 WeakPolarHBondContact CB-OE2 3.36Å; H321-E545 IonicContact CD2-OE2 3.66Å; H321-E545 PolarHBondContact CD2-OE2 3.28Å; H321-E545 IonicContact CG-OE2 3.73Å; L324-E545 HydrophobicContact CD1-CB 4.32Å; E545-C569 HydrophobicContact CB-CB 4.34Å; E545-C569 PolarHBondContact N-O 2.98Å; E545-C569 PolarHBondContact O-N 2.94Å; E545-T571 HydrophobicContact CB-CG2 3.94Å; E545-T571 HydrophobicContact CG-CG2 3.59Å
546V91.8Very high87.1Confident34 Ų3448.3 Ų48.321%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-132.6144.4-170.1-57.80000113.3F540 K544 L548 V567 V568F540-V546 HydrophobicContact CB-CG1 4.46Å; F540-V546 HydrophobicContact CD2-CB 4.39Å; F540-V546 HydrophobicContact CD2-CG1 3.67Å; F540-V546 HydrophobicContact CD2-CG2 4.26Å; F540-V546 HydrophobicContact CE2-CB 4.43Å; F540-V546 HydrophobicContact CE2-CG1 3.91Å; F540-V546 HydrophobicContact CG-CG1 3.99Å; F540-V546 HydrophobicContact CZ-CG1 4.48Å; K544-V546 HydrophobicContact CB-CG1 4.48Å; V546-L548 HydrophobicContact CB-CD2 4.22Å; V546-L548 HydrophobicContact CG2-CD2 3.98Å; V546-L548 HydrophobicContact CG2-CG 4.2Å; V546-V567 VanDerWaalsContact CA-O 3.32Å; V546-V567 WeakPolarHBondContact CA-O 3.43Å; V546-V568 HydrophobicContact CG1-CB 4.3Å; V546-V568 HydrophobicContact CG1-CG1 3.99Å; V546-V568 HydrophobicContact CG1-CG2 3.93Å
547L90.8Very high86.8Confident30 Ų3047 Ų4716%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-119.5110.9173.5179.359.4000109.2L324 H325 S566 V567 I869L324-L547 HydrophobicContact CB-CB 4.11Å; L324-L547 HydrophobicContact CB-CD2 4.09Å; L324-L547 HydrophobicContact CD1-CB 3.96Å; H325-L547 HydrophobicContact CB-CD2 3.78Å; L547-S566 WeakPolarHBondContact O-CA 3.33Å; L547-V567 HydrophobicContact CB-CB 4.28Å; L547-V567 PolarHBondContact N-O 2.96Å; L547-V567 PolarHBondContact O-N 2.96Å; L547-I869 HydrophobicContact CD2-CD1 3.79Å; L547-I869 HydrophobicContact CD2-CG1 4.44Å; L547-I869 HydrophobicContact CD2-CG2 4.18Å; L547-I869 HydrophobicContact CG-CD1 3.93Å; L547-I869 HydrophobicContact CG-CG1 4.39Å
548L92.4Very high86.5Confident64 Ų6443.9 Ų43.934%0.33525%0.245SC..EExtended strand (participates in β ladder)trans-100.7143.9-171-51.8179.1000111.9W538 F540 V546 S566W538-L548 HydrophobicContact CB-CD1 4.26Å; W538-L548 HydrophobicContact CB-CD2 4.05Å; W538-L548 HydrophobicContact CD2-CD2 4.39Å; W538-L548 HydrophobicContact CG-CD1 4.36Å; W538-L548 HydrophobicContact CG-CD2 3.81Å; F540-L548 HydrophobicContact CE2-CD2 4.45Å; V546-L548 HydrophobicContact CB-CD2 4.22Å; V546-L548 HydrophobicContact CG2-CD2 3.98Å; V546-L548 HydrophobicContact CG2-CG 4.2Å; L548-S566 WeakPolarHBondContact CD2-OG 3.37Å
549S91.3Very high86.2Confident2 Ų243.1 Ų43.11%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-156.7150.1175.7-172.50000109.8Y565 S868 I869 D872S549-Y565 PolarHBondContact N-O 3.36Å; S549-Y565 PolarHBondContact O-N 2.71Å; S549-S868 VanDerWaalsContact OG-CB 3.3Å; S549-S868 WeakPolarHBondContact OG-CB 3.49Å; S549-S868 PolarHBondContact OG-O 3.18Å; S549-S868 PolarHBondContact OG-OG 3.29Å; S549-I869 PolarHBondContact OG-N 3.2Å; S549-D872 VanDerWaalsContact CB-OD2 3.32Å; S549-D872 WeakPolarHBondContact CB-OD2 3.34Å; S549-D872 PolarHBondContact OG-OD2 3.24Å
550P87.1Confident86.1Confident32 Ų3240.5 Ų40.521%0.20823%0.232CC..SBendcis-69.2145.8-5.930.1-35.6000112.6R477 I563 D872R477-P550 VanDerWaalsContact CZ-CB 3.44Å; P550-I563 WeakPolarHBondContact CD-O 3.4Å; P550-D872 VanDerWaalsContact CA-OD2 3.32Å; P550-D872 WeakPolarHBondContact CA-OD2 3.16Å
551V81.8Confident86.2Confident75 Ų7539.5 Ų39.546%0.45523%0.229SC..  trans-87.3129.8174.8177.30000111.5R477 D872R477-V551 PolarHBondContact NH1-O 2.98Å; V551-D872 HydrophobicContact CB-CB 4.44Å; V551-D872 HydrophobicContact CG2-CB 4.3Å; V551-D872 VanDerWaalsContact N-CG 3.33Å; V551-D872 PolarHBondContact N-OD1 2.82Å; V551-D872 PolarHBondContact N-OD2 3.05Å
552G76.1Confident86.4Confident51 Ų5137.9 Ų37.953%0.52622%0.218SC..SBendtrans95.4170.617300000114.9
553N77.8Confident87Confident83 Ų8329.9 Ų29.944%0.44418%0.181SC..  trans-64.7146.4-175.6-65.622.5000112.3D533 I534D533-N553 PolarHBondContact OD1-ND2 3.01Å; D533-N553 VanDerWaalsContact OD1-ND2 3.08Å; I534-N553 WeakPolarHBondContact O-CA 3.49Å
554T84.1Confident87.5Confident26 Ų2627.8 Ų27.816%0.1617%0.168CC..EExtended strand (participates in β ladder)trans-134174.9171.1-168.20000111.3D533 I534 L562D533-T554 PolarHBondContact N-O 2.87Å; I534-T554 HydrophobicContact CB-CG2 3.88Å; I534-T554 WeakPolarHBondContact CB-O 3.48Å; I534-T554 HydrophobicContact CD1-CG2 4.35Å; I534-T554 HydrophobicContact CG2-CG2 4.16Å; I534-T554 PolarHBondContact N-O 2.86Å; I534-T554 PolarHBondContact O-N 3.49Å; T554-L562 HydrophobicContact CG2-CD1 3.87Å
555F86.1Confident87.8Confident21 Ų2126.8 Ų26.89%0.09216%0.164CC..EExtended strand (participates in β ladder)trans-125.8163.9168.752.5-127.9000111.8P451 Y478 R480 V530 L531 F557P451-F555 HydrophobicContact CB-CD1 3.64Å; P451-F555 HydrophobicContact CB-CE1 3.89Å; P451-F555 HydrophobicContact CB-CG 4.3Å; Y478-F555 WeakPolarHBondContact O-CE1 3.39Å; R480-F555 HydrophobicContact CB-CE2 4.49Å; R480-F555 HydrophobicContact CB-CZ 4.2Å; V530-F555 HydrophobicContact CG1-CB 4.03Å; L531-F555 CarbonylContact O-C 3.58Å; L531-F555 WeakPolarHBondContact O-CA 3.24Å; L531-F555 WeakPolarHBondContact O-CB 3.3Å; F555-F557 HydrophobicContact CD2-CD2 4.09Å; F555-F557 AromaticContact CD2-CE2 3.66Å; F555-F557 HydrophobicContact CD2-CE2 3.66Å; F555-F557 HydrophobicContact CE2-CD2 4.32Å; F555-F557 AromaticContact CE2-CE2 3.7Å; F555-F557 HydrophobicContact CE2-CE2 3.7Å; F555-F557 HydrophobicContact CG-CE2 4.32Å; F555-F557 HydrophobicContact CZ-CE2 4.33Å
556L87.3Confident88Confident6 Ų625 Ų253%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-133.4131.9171-60.7171000110.5P340 L342 V530 L531 I534 D560 S561 L562P340-L556 HydrophobicContact CG-CD1 3.74Å; L342-L556 HydrophobicContact CD1-CB 4.45Å; L342-L556 WeakPolarHBondContact CD1-O 3.43Å; V530-L556 WeakPolarHBondContact CG1-O 3.48Å; L531-L556 HydrophobicContact CD2-CD1 4.43Å; L531-L556 PolarHBondContact N-O 2.97Å; L531-L556 VanDerWaalsContact N-O 3.14Å; L531-L556 PolarHBondContact O-N 3.13Å; I534-L556 HydrophobicContact CD1-CB 4.12Å; I534-L556 HydrophobicContact CD1-CD1 3.75Å; I534-L556 HydrophobicContact CD1-CG 3.52Å; L556-D560 HydrophobicContact CB-CB 4.22Å; L556-D560 HydrophobicContact CD2-CB 3.78Å; L556-S561 WeakPolarHBondContact CD2-O 3.38Å; L556-L562 HydrophobicContact CD1-CB 3.96Å; L556-L562 HydrophobicContact CD2-CB 4.21Å
557F86.1Confident88Confident8 Ų823.4 Ų23.44%0.03515%0.146CC..  trans-91.4166164.3-67-102.8000109.7P451 L453 R480 V530 F555 G559 D560P451-F557 HydrophobicContact CB-CZ 4.32Å; P451-F557 HydrophobicContact CG-CZ 4.48Å; L453-F557 HydrophobicContact CD2-CE1 3.98Å; L453-F557 HydrophobicContact CD2-CZ 3.62Å; R480-F557 HydrophobicContact CB-CE2 4.09Å; R480-F557 HydrophobicContact CB-CZ 4.15Å; R480-F557 HydrophobicContact CG-CD2 4.24Å; R480-F557 HydrophobicContact CG-CE1 4.49Å; R480-F557 HydrophobicContact CG-CE2 3.67Å; R480-F557 HydrophobicContact CG-CZ 3.83Å; V530-F557 HydrophobicContact CG1-CD2 4.47Å; V530-F557 HydrophobicContact CG1-CE2 4.25Å; V530-F557 HydrophobicContact CG1-CZ 4.26Å; V530-F557 HydrophobicContact CG2-CD1 3.66Å; V530-F557 HydrophobicContact CG2-CE1 3.4Å; V530-F557 HydrophobicContact CG2-CG 4.33Å; V530-F557 HydrophobicContact CG2-CZ 3.86Å; F555-F557 HydrophobicContact CD2-CD2 4.09Å; F555-F557 AromaticContact CD2-CE2 3.66Å; F555-F557 HydrophobicContact CD2-CE2 3.66Å; F555-F557 HydrophobicContact CE2-CD2 4.32Å; F555-F557 AromaticContact CE2-CE2 3.7Å; F555-F557 HydrophobicContact CE2-CE2 3.7Å; F555-F557 HydrophobicContact CG-CE2 4.32Å; F555-F557 HydrophobicContact CZ-CE2 4.33Å; F557-G559 PolarHBondContact O-N 3.38Å; F557-D560 WeakPolarHBondContact CB-OD2 3.5Å; F557-D560 PolarHBondContact N-OD2 2.83Å; F557-D560 WeakPolarHBondContact O-CB 3.49Å; F557-D560 PolarHBondContact O-N 3.18Å
558P83.9Confident88.1Confident24 Ų2422 Ų2216%0.15614%0.138CC..THydrogen-bonded Turntrans-65.1112.3-174.8-17.728.2000112.7L342 K343 S528L342-P558 HydrophobicContact CB-CB 4.23Å; L342-P558 HydrophobicContact CB-CG 4Å; L342-P558 HydrophobicContact CD1-CG 4.5Å; K343-P558 HydrophobicContact CD-CB 4.44Å; K343-P558 HydrophobicContact CG-CB 3.84Å; K343-P558 HydrophobicContact CG-CG 4.31Å; S528-P558 VanDerWaalsContact OG-CD 3.3Å; S528-P558 WeakPolarHBondContact OG-CD 3.49Å
559G84.2Confident87.9Confident12 Ų1219 Ų1912%0.12412%0.123CC..THydrogen-bonded Turntrans97.91.7-172.500000114.9T144 F557T144-G559 VanDerWaalsContact O-O 3.07Å; T144-G559 PolarHBondContact OG1-O 3.36Å; F557-G559 PolarHBondContact O-N 3.38Å
560D89.1Confident87.7Confident20 Ų2019.7 Ų19.711%0.10713%0.126CC..PPolyproline II helixtrans-79.3131.7162.2-68.5-30.1000109.2R480 L556 F557R480-D560 IonicContact CZ-OD2 3.17Å; R480-D560 IonicContact NE-OD2 3.24Å; R480-D560 IonicContact NH2-OD1 2.72Å; R480-D560 PolarHBondContact NH2-OD1 3.44Å; R480-D560 IonicContact NH2-OD2 3.35Å; R480-D560 PolarHBondContact NH2-OD2 3.41Å; L556-D560 HydrophobicContact CB-CB 4.22Å; L556-D560 HydrophobicContact CD2-CB 3.78Å; F557-D560 WeakPolarHBondContact CB-OD2 3.5Å; F557-D560 PolarHBondContact N-OD2 2.83Å; F557-D560 WeakPolarHBondContact O-CB 3.49Å; F557-D560 PolarHBondContact O-N 3.18Å
561S90.6Very high87.5Confident15 Ų1518.1 Ų18.111%0.10512%0.116CC..PPolyproline II helixtrans-87.1147.6169.642.10000112.4T144 L556T144-S561 VanDerWaalsContact OG1-CB 3.3Å; T144-S561 WeakPolarHBondContact OG1-CB 3.21Å; T144-S561 PolarHBondContact OG1-N 3.46Å; T144-S561 PolarHBondContact OG1-OG 2.83Å; L556-S561 WeakPolarHBondContact CD2-O 3.38Å
562L91.4Very high87.6Confident8 Ų817.6 Ų17.64%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-102.5129.9162.6177.670000108.7F338 I534 I536 T554 L556 V822F338-L562 HydrophobicContact CB-CB 4.39Å; F338-L562 HydrophobicContact CD1-CD2 4.18Å; F338-L562 PolarHBondContact N-O 2.97Å; F338-L562 PolarHBondContact O-N 3.47Å; I534-L562 HydrophobicContact CG2-CD2 3.92Å; I536-L562 HydrophobicContact CD1-CD1 4.28Å; I536-L562 HydrophobicContact CD1-CD2 4.08Å; I536-L562 HydrophobicContact CD1-CG 4.28Å; I536-L562 HydrophobicContact CG1-CD2 4.11Å; T554-L562 HydrophobicContact CG2-CD1 3.87Å; L556-L562 HydrophobicContact CD1-CB 3.96Å; L556-L562 HydrophobicContact CD2-CB 4.21Å; L562-V822 HydrophobicContact CD2-CG1 4.1Å; L562-V822 HydrophobicContact CD2-CG2 4.36Å
563I92.9Very high87.7Confident13 Ų1321 Ų217%0.06711%0.11CC..EExtended strand (participates in β ladder)trans-123.2136.5168.7-52.7177.7000107.6Y27 E141 M335 L336 P550 Y565Y27-I563 HydrophobicContact CD2-CG1 4.25Å; E141-I563 HydrophobicContact CB-CD1 3.92Å; E141-I563 HydrophobicContact CG-CD1 3.86Å; M335-I563 HydrophobicContact CG-CG2 3.78Å; M335-I563 HydrophobicContact SD-CG2 3.94Å; L336-I563 CarbonylContact O-C 2.94Å; L336-I563 VanDerWaalsContact O-CA 3.29Å; L336-I563 WeakPolarHBondContact O-CA 3.47Å; P550-I563 WeakPolarHBondContact CD-O 3.4Å; I563-Y565 HydrophobicContact CG2-CD2 4.5Å; I563-Y565 HydrophobicContact CG2-CE1 4.19Å; I563-Y565 HydrophobicContact CG2-CE2 3.75Å; I563-Y565 WeakPolarHBondContact CG2-OH 3.46Å
564G93.7Very high87.7Confident0 Ų017.9 Ų17.90%09%0.093CC..EExtended strand (participates in β ladder)trans-134.7141177.200000111.4M335 L336M335-G564 CarbonylContact C-O 3.49Å; M335-G564 VanDerWaalsContact CA-O 3.31Å; M335-G564 WeakPolarHBondContact CA-O 3.39Å; L336-G564 PolarHBondContact N-O 3.23Å; L336-G564 PolarHBondContact O-N 3.43Å
565Y94.9Very high87.1Confident1 Ų120 Ų200%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-119.9140.1-175.1-62.5-76000111.3V333 V334 M335 S549 I563 L864 A865V333-Y565 HydrophobicContact CG1-CD1 4.37Å; V334-Y565 CarbonylContact O-C 3.55Å; V334-Y565 WeakPolarHBondContact O-CA 3.36Å; M335-Y565 HydrophobicContact CB-CD1 4.07Å; M335-Y565 HydrophobicContact CB-CE1 4.04Å; M335-Y565 HydrophobicContact CG-CD1 3.98Å; M335-Y565 HydrophobicContact CG-CE1 3.58Å; M335-Y565 HydrophobicContact SD-CD1 4.5Å; M335-Y565 HydrophobicContact SD-CE1 3.57Å; M335-Y565 VanDerWaalsContact SD-CE1 3.57Å; S549-Y565 PolarHBondContact N-O 3.36Å; S549-Y565 PolarHBondContact O-N 2.71Å; I563-Y565 HydrophobicContact CG2-CD2 4.5Å; I563-Y565 HydrophobicContact CG2-CE1 4.19Å; I563-Y565 HydrophobicContact CG2-CE2 3.75Å; I563-Y565 WeakPolarHBondContact CG2-OH 3.46Å; Y565-L864 HydrophobicContact CE1-CB 4.14Å; Y565-L864 HydrophobicContact CE2-CB 4.39Å; Y565-L864 VanDerWaalsContact OH-CB 3.29Å; Y565-L864 WeakPolarHBondContact OH-CB 3.4Å; Y565-A865 HydrophobicContact CD1-CB 3.72Å; Y565-A865 HydrophobicContact CE1-CB 4.48Å; Y565-A865 HydrophobicContact CG-CB 3.75Å
566S94.3Very high86Confident0 Ų025.2 Ų25.20%013%0.129CC..EExtended strand (participates in β ladder)trans-137.7112.8172.6173.90000109.8V334 F540 L547 L548 V568V334-S566 PolarHBondContact N-O 2.99Å; V334-S566 PolarHBondContact O-N 2.75Å; F540-S566 WeakPolarHBondContact CE2-OG 3.34Å; F540-S566 WeakPolarHBondContact CZ-OG 3.49Å; L547-S566 WeakPolarHBondContact O-CA 3.33Å; L548-S566 WeakPolarHBondContact CD2-OG 3.37Å; S566-V568 WeakPolarHBondContact OG-CG2 3.47Å
567V93.3Very high84.5Confident0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-81.9127169.4-167.70000107.8I328 N331 V333 V546 L547 I869I328-V567 HydrophobicContact CD1-CG2 4.46Å; I328-V567 HydrophobicContact CG1-CG2 4.31Å; I328-V567 HydrophobicContact CG2-CG1 4.33Å; I328-V567 HydrophobicContact CG2-CG2 3.98Å; N331-V567 HydrophobicContact CB-CG1 3.83Å; V333-V567 HydrophobicContact CG2-CG1 4.29Å; V333-V567 HydrophobicContact CG2-CG2 4.18Å; V546-V567 VanDerWaalsContact CA-O 3.32Å; V546-V567 WeakPolarHBondContact CA-O 3.43Å; L547-V567 HydrophobicContact CB-CB 4.28Å; L547-V567 PolarHBondContact N-O 2.96Å; L547-V567 PolarHBondContact O-N 2.96Å; V567-I869 HydrophobicContact CG2-CD1 3.8Å
568V91.4Very high83Confident0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-122.8124.2-172.3-1750000111.9P332 V334 F540 K544 V546 S566 I839P332-V568 WeakPolarHBondContact CD-O 3.45Å; P332-V568 PolarHBondContact O-N 3.31Å; V334-V568 HydrophobicContact CG2-CG2 4Å; F540-V568 HydrophobicContact CD1-CG2 4.47Å; F540-V568 HydrophobicContact CE1-CG2 3.73Å; F540-V568 HydrophobicContact CE2-CG2 4.37Å; F540-V568 HydrophobicContact CZ-CG2 3.66Å; K544-V568 HydrophobicContact CB-CG1 4.06Å; V546-V568 HydrophobicContact CG1-CB 4.3Å; V546-V568 HydrophobicContact CG1-CG1 3.99Å; V546-V568 HydrophobicContact CG1-CG2 3.93Å; S566-V568 WeakPolarHBondContact OG-CG2 3.47Å; V568-I839 HydrophobicContact CB-CD1 3.78Å; V568-I839 HydrophobicContact CG1-CD1 3.82Å; V568-I839 HydrophobicContact CG2-CD1 3.77Å
569C89.2Confident81.5Confident1 Ų141 Ų411%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-108.7132.8174.2178.20000110.3I320 L324 N331 K544 E545I320-C569 HydrophobicContact CG2-CB 4.37Å; I320-C569 VanDerWaalsContact CG2-SG 3.51Å; L324-C569 HydrophobicContact CD2-CB 3.52Å; N331-C569 WeakPolarHBondContact OD1-CA 3.43Å; N331-C569 VanDerWaalsContact OD1-CB 3.22Å; N331-C569 WeakPolarHBondContact OD1-CB 3.19Å; K544-C569 WeakPolarHBondContact CA-O 3.46Å; E545-C569 HydrophobicContact CB-CB 4.34Å; E545-C569 PolarHBondContact N-O 2.98Å; E545-C569 PolarHBondContact O-N 2.94Å
570D85.8Confident79.9Confident17 Ų1743.2 Ų43.29%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-73.6131.6166.6-160.7-62.3000110K544 T572 L843K544-D570 IonicContact NZ-OD2 3.02Å; K544-D570 PolarHBondContact NZ-OD2 2.89Å; D570-T572 WeakPolarHBondContact OD1-CB 3.21Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.26Å; D570-T572 PolarHBondContact OD1-N 3.44Å; D570-T572 PolarHBondContact OD1-OG1 2.89Å; D570-L843 HydrophobicContact CB-CD2 4.31Å
571T84.5Confident77.8Confident0 Ų045 Ų450%023%0.232CC..  trans-125.111.6173.459.40000113.2I320 T543 E545 R573 Y574 H575I320-T571 HydrophobicContact CD1-CG2 4.26Å; I320-T571 HydrophobicContact CG2-CG2 4.12Å; T543-T571 CarbonylContact O-C 3.59Å; T543-T571 PolarHBondContact O-N 3.05Å; T543-T571 PolarHBondContact O-OG1 3.02Å; E545-T571 HydrophobicContact CB-CG2 3.94Å; E545-T571 HydrophobicContact CG-CG2 3.59Å; T571-R573 PolarHBondContact O-N 3.23Å; T571-Y574 WeakPolarHBondContact O-CA 3.47Å; T571-Y574 WeakPolarHBondContact O-CB 3.47Å; T571-Y574 PolarHBondContact O-N 2.84Å; T571-H575 WeakPolarHBondContact CB-NE2 3.16Å; T571-H575 PolarHBondContact O-CD2 3.36Å; T571-H575 VanDerWaalsContact O-CD2 3.24Å; T571-H575 PolarHBondContact O-N 2.94Å; T571-H575 PolarHBondContact OG1-CD2 3.33Å; T571-H575 PolarHBondContact OG1-NE2 3Å
572T82.8Confident75.8Confident64 Ų6451.1 Ų51.139%0.39326%0.257SS..G310 helixtrans-46.3-37.3-179.8530000113.8T543 D570 Y574 H575T543-T572 HydrophobicContact CG2-CG2 4.07Å; T543-T572 PolarHBondContact O-N 3.2Å; D570-T572 WeakPolarHBondContact OD1-CB 3.21Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.26Å; D570-T572 PolarHBondContact OD1-N 3.44Å; D570-T572 PolarHBondContact OD1-OG1 2.89Å; T572-Y574 PolarHBondContact O-N 2.69Å; T572-H575 PolarHBondContact O-N 3.31Å
573R78.3Confident73.8Confident122 Ų12260.8 Ų60.846%0.4629%0.293SS..G310 helixtrans-63.3-22.3177.7-64.9175.7-179.6-165.4-4.5114E291 D294 T571E291-R573 IonicContact OE1-CZ 2.65Å; E291-R573 IonicContact OE1-NH1 3.19Å; E291-R573 IonicContact OE1-NH2 2.77Å; E291-R573 PolarHBondContact OE1-NH2 3Å; D294-R573 WeakPolarHBondContact OD2-CD 3.46Å; D294-R573 IonicContact OD2-CZ 2.64Å; D294-R573 IonicContact OD2-NE 3.95Å; D294-R573 IonicContact OD2-NH1 2.71Å; D294-R573 PolarHBondContact OD2-NH1 3.25Å; T571-R573 PolarHBondContact O-N 3.23Å
574Y77.8Confident71.8Confident18 Ų1869.1 Ų69.17%0.07132%0.324CS..G310 helixtrans-105.1-3.3-178.7-54.8-69.8000113.3D294 N313 K316 I320 T571 T572D294-Y574 PolarHBondContact OD1-OH 3.16Å; N313-Y574 WeakPolarHBondContact CB-O 3.33Å; K316-Y574 HydrophobicContact CB-CD1 4Å; K316-Y574 HydrophobicContact CB-CE1 4.42Å; K316-Y574 HydrophobicContact CB-CG 4.39Å; K316-Y574 HydrophobicContact CD-CD1 3.52Å; K316-Y574 HydrophobicContact CD-CE1 3.84Å; K316-Y574 HydrophobicContact CG-CD1 4.36Å; I320-Y574 HydrophobicContact CD1-CD2 3.77Å; I320-Y574 HydrophobicContact CD1-CE2 3.67Å; T571-Y574 WeakPolarHBondContact O-CA 3.47Å; T571-Y574 WeakPolarHBondContact O-CB 3.47Å; T571-Y574 PolarHBondContact O-N 2.84Å; T572-Y574 PolarHBondContact O-N 2.69Å
575H72.4Confident69.5Low70 Ų7077.2 Ų77.232%0.32435%0.354SS..SBendtrans-90.7139.8174.3-75.5-81.4000111.9E542 T543 T571 T572 N577E542-H575 PolarHBondContact O-CE1 3.38Å; E542-H575 PolarHBondContact O-NE2 3.1Å; T543-H575 HydrophobicContact CG2-CB 4.43Å; T571-H575 WeakPolarHBondContact CB-NE2 3.16Å; T571-H575 PolarHBondContact O-CD2 3.36Å; T571-H575 VanDerWaalsContact O-CD2 3.24Å; T571-H575 PolarHBondContact O-N 2.94Å; T571-H575 PolarHBondContact OG1-CD2 3.33Å; T571-H575 PolarHBondContact OG1-NE2 3Å; T572-H575 PolarHBondContact O-N 3.31Å; H575-N577 PolarHBondContact O-N 2.99Å
576D62.1Low67.3Low131 Ų13186.2 Ų86.270%0.70139%0.389SS*.  trans-75.394-176-76.4-19000111.5N313 P578N313-D576 PolarHBondContact ND2-OD1 3.48Å; D576-P578 VanDerWaalsContact O-CD 3.26Å; D576-P578 WeakPolarHBondContact O-CD 3.05Å; D576-P578 VanDerWaalsContact O-N 3.09Å
577N56.4Low65.2Low86 Ų8690 Ų9046%0.4642%0.416SS..  trans-56.4112.2-175.8179.6-18.3000112.4H575 K579 S580 D581H575-N577 PolarHBondContact O-N 2.99Å; N577-K579 PolarHBondContact O-N 2.96Å; N577-K579 VanDerWaalsContact O-N 3.17Å; N577-K579 WeakPolarHBondContact OD1-CB 3.48Å; N577-K579 PolarHBondContact OD1-N 2.93Å; N577-S580 WeakPolarHBondContact O-CB 3.32Å; N577-S580 PolarHBondContact O-N 2.85Å; N577-S580 PolarHBondContact O-OG 2.93Å; N577-D581 PolarHBondContact O-N 3.01Å
578P53.5Low63Low100 Ų10097.3 Ų97.365%0.64945%0.452SS*.Hα-helixtrans-71.2-14.9-17328.2-36.2000113.8D576 S580D576-P578 VanDerWaalsContact O-CD 3.26Å; D576-P578 WeakPolarHBondContact O-CD 3.05Å; D576-P578 VanDerWaalsContact O-N 3.09Å; P578-S580 VanDerWaalsContact C-N 3.34Å
579K52.8Low60.8Low183 Ų183105.2 Ų105.280%0.79649%0.491SS*.Hα-helixtrans-76.1-26.3171.7-58.3173-179.2170.10111N577N577-K579 PolarHBondContact O-N 2.96Å; N577-K579 VanDerWaalsContact O-N 3.17Å; N577-K579 WeakPolarHBondContact OD1-CB 3.48Å; N577-K579 PolarHBondContact OD1-N 2.93Å
580S51.1Low58.7Low58 Ų58115.7 Ų115.741%0.40653%0.53SS..Hα-helixtrans-84-35.8-178.879.10000113.1N577 P578 K582 R583 R584N577-S580 WeakPolarHBondContact O-CB 3.32Å; N577-S580 PolarHBondContact O-N 2.85Å; N577-S580 PolarHBondContact O-OG 2.93Å; P578-S580 VanDerWaalsContact C-N 3.34Å; S580-K582 PolarHBondContact O-N 3.12Å; S580-R583 WeakPolarHBondContact O-CA 3.46Å; S580-R583 VanDerWaalsContact O-CB 3.3Å; S580-R583 WeakPolarHBondContact O-CB 3.3Å; S580-R583 PolarHBondContact O-N 2.95Å; S580-R584 PolarHBondContact O-N 3.39Å
581D44Very low56.7Low57 Ų57119.1 Ų119.131%0.30556%0.556SS.*Hα-helixtrans-66.6-34.6-177.2-178.648.1000113.3N577 R583 R584 R585N577-D581 PolarHBondContact O-N 3.01Å; D581-R583 PolarHBondContact O-N 2.86Å; D581-R583 VanDerWaalsContact O-N 3.16Å; D581-R584 WeakPolarHBondContact O-CA 3.49Å; D581-R584 WeakPolarHBondContact O-CB 3.29Å; D581-R584 PolarHBondContact O-N 2.83Å; D581-R585 PolarHBondContact O-N 3.44Å; D581-R585 IonicContact OD2-CZ 3.37Å; D581-R585 IonicContact OD2-NE 3.13Å; D581-R585 PolarHBondContact OD2-NE 3.05Å; D581-R585 IonicContact OD2-NH2 2.99Å; D581-R585 PolarHBondContact OD2-NH2 2.28Å
582K48.4Very low54.7Low144 Ų144126.6 Ų126.663%0.62659%0.594SS**Hα-helixtrans-52.7-39.2169.7-68.5-174.9179.8-178.10111.7S580 Y586S580-K582 PolarHBondContact O-N 3.12Å; K582-Y586 WeakPolarHBondContact O-CD2 3.42Å; K582-Y586 PolarHBondContact O-N 3.42Å; K582-Y586 VanDerWaalsContact O-N 3.16Å
583R51Low52.5Low211 Ų211131.9 Ų131.980%0.79661%0.614SS**Hα-helixtrans-70.1-35.3176.6-160.4-179.7-173.7-164.12.6112.1S580 D581 S587S580-R583 WeakPolarHBondContact O-CA 3.46Å; S580-R583 VanDerWaalsContact O-CB 3.3Å; S580-R583 WeakPolarHBondContact O-CB 3.3Å; S580-R583 PolarHBondContact O-N 2.95Å; D581-R583 PolarHBondContact O-N 2.86Å; D581-R583 VanDerWaalsContact O-N 3.16Å; R583-S587 WeakPolarHBondContact O-CB 3.5Å; R583-S587 PolarHBondContact O-N 3.17Å
584R49.9Very low50.4Low189 Ų189131.9 Ų131.971%0.71363%0.633SS**Hα-helixtrans-65.3-47.9172.6-74.3-168.3175.8-159.51.7112S580 D581 Y586 S587 M588S580-R584 PolarHBondContact O-N 3.39Å; D581-R584 WeakPolarHBondContact O-CA 3.49Å; D581-R584 WeakPolarHBondContact O-CB 3.29Å; D581-R584 PolarHBondContact O-N 2.83Å; R584-Y586 PolarHBondContact O-N 2.83Å; R584-S587 WeakPolarHBondContact O-CB 3.33Å; R584-S587 PolarHBondContact O-N 3.03Å; R584-M588 PolarHBondContact O-N 2.96Å
585R45.7Very low48.3Very low170 Ų170135.4 Ų135.464%0.64267%0.666SS**Hα-helixtrans-58.5-44.9178.4-62.2-173.2-154.3-1696.2112.2D581 S587 M588 M589D581-R585 PolarHBondContact O-N 3.44Å; D581-R585 IonicContact OD2-CZ 3.37Å; D581-R585 IonicContact OD2-NE 3.13Å; D581-R585 PolarHBondContact OD2-NE 3.05Å; D581-R585 IonicContact OD2-NH2 2.99Å; D581-R585 PolarHBondContact OD2-NH2 2.28Å; R585-S587 VanDerWaalsContact C-N 3.34Å; R585-S587 PolarHBondContact O-N 3.05Å; R585-M588 PolarHBondContact O-N 2.86Å; R585-M589 PolarHBondContact O-N 3.24Å
586Y48Very low46.4Very low189 Ų189137.7 Ų137.774%0.74169%0.69SS**Hα-helixtrans-67.7-29.8174-76.8-61.4000113.9K582 R584K582-Y586 WeakPolarHBondContact O-CD2 3.42Å; K582-Y586 PolarHBondContact O-N 3.42Å; K582-Y586 VanDerWaalsContact O-N 3.16Å; R584-Y586 PolarHBondContact O-N 2.83Å
587S50Low45Very low80 Ų80136.4 Ų136.456%0.55969%0.691SS**Hα-helixtrans-70.6-38175.7-168.60000112.4R583 R584 R585 R590 S591R583-S587 WeakPolarHBondContact O-CB 3.5Å; R583-S587 PolarHBondContact O-N 3.17Å; R584-S587 WeakPolarHBondContact O-CB 3.33Å; R584-S587 PolarHBondContact O-N 3.03Å; R585-S587 VanDerWaalsContact C-N 3.34Å; R585-S587 PolarHBondContact O-N 3.05Å; S587-R590 PolarHBondContact O-N 2.92Å; S587-S591 PolarHBondContact O-OG 2.79Å; S587-S591 VanDerWaalsContact O-OG 3.11Å
588M47.1Very low44Very low153 Ų153137.9 Ų137.975%0.75470%0.703SS**Hα-helixtrans-77.6-28.9-174.5-142.1160.8-168.900112.4R584 R585 R590 S591R584-M588 PolarHBondContact O-N 2.96Å; R585-M588 PolarHBondContact O-N 2.86Å; M588-R590 PolarHBondContact O-N 3.27Å; M588-S591 PolarHBondContact O-N 3Å; M588-S591 PolarHBondContact O-OG 3.41Å
589M45.7Very low43Very low167 Ų167141.9 Ų141.982%0.82371%0.711SS**THydrogen-bonded Turntrans-72.8-2.4172.1-67.9-160.876.400114.7R585R585-M589 PolarHBondContact O-N 3.24Å
590R45.5Very low41.9Very low220 Ų220143.4 Ų143.483%0.8371%0.713SS**THydrogen-bonded Turntrans-112.15.7173.6-79.7-168.6171-166.7-2.2114.3S587 M588S587-R590 PolarHBondContact O-N 2.92Å; M588-R590 PolarHBondContact O-N 3.27Å
591S43.2Very low40.8Very low89 Ų89148.8 Ų148.862%0.62273%0.731SS**SBendtrans-86.4-4.3-175.3-45.70000115S587 M588S587-S591 PolarHBondContact O-OG 2.79Å; S587-S591 VanDerWaalsContact O-OG 3.11Å; M588-S591 PolarHBondContact O-N 3Å; M588-S591 PolarHBondContact O-OG 3.41Å
592I43.9Very low40.1Very low157 Ų157150.1 Ų150.181%0.80575%0.745SS**SBendtrans-98.2-21.2-172-70.6172.6000112.8
593E35.4Very low39.2Very low175 Ų175150.4 Ų150.482%0.81875%0.748SS**SBendtrans-11588.8-179.6-68.7-172.1143.900112.2
594S33.8Very low38Very low123 Ų123146.9 Ų146.986%0.8674%0.741SS**  165.6120.9126.8-74.90000111.6
595A34.4Very low37.2Very low91 Ų91146.3 Ų146.375%0.75275%0.746SS**  trans-103.1158.2158.400000109.6
596S31.6Very low36.4Very low119 Ų119146.3 Ų146.383%0.83275%0.754SS**  trans75.5165.6167.484.10000119
597S34Very low35.6Very low103 Ų103141.4 Ų141.472%0.7275%0.752SS**  trans60.7113.3176.3-143.20000117.2
598V34.7Very low34.6Very low117 Ų117140.7 Ų140.771%0.70976%0.758SS**  cis87.8106.534.6-1750000114.3
599F32.8Very low34.1Very low185 Ų185143 Ų14381%0.81176%0.764SS**  trans71.3142.8155.3-85.8-56.2000124.2
600Y30Very low33.2Very low215 Ų215141.3 Ų141.384%0.84376%0.763SS**  trans74.3177.5159-87.8-76.8000120.1
601H27.1Very low32.3Very low170 Ų170134.1 Ų134.179%0.78776%0.757SS**  trans-152159.5-133.3-157.265000112.7
602S29.5Very low31.8Very low86 Ų86136.1 Ų136.160%0.60177%0.765SS**  trans84.8127.5160.8-56.40000122.5
603Q29Very low31.1Very low149 Ų149135.3 Ų135.370%0.69676%0.763SS**  trans90.8134.2131.9-86.5174-71.200124.8
604E27.5Very low30.8Very low137 Ų137131.8 Ų131.864%0.6476%0.757SS**  trans63.4122.8144.7-86.9131-134.600120.4
605E31.3Very low30.6Very low177 Ų177134.6 Ų134.683%0.82776%0.757SS**  77.9141.483.5-81.2-163.8164.400114
606E29.5Very low30.1Very low170 Ų170133.9 Ų133.979%0.79476%0.758SS**  cis-159.5176.4-16.4-151.2-132.9158.300109.8
607A31.9Very low29.9Very low86 Ų86133.3 Ų133.371%0.71175%0.754SS**  trans60.6135.8152.500000123.7
608G28.5Very low29.5Very low66 Ų66136.8 Ų136.868%0.6876%0.758SS**  140.690.6120.600000122.3
609K36.4Very low29.1Very low201 Ų201140.9 Ų140.987%0.87476%0.761SS**  trans65.3161.3136.1-63.7-173.8179.5176.20119.1
610T27.9Very low28.6Very low132 Ų132139.5 Ų139.581%0.8176%0.757SS**  cis-167.3156.9-15.325.40000110.4
611G26.4Very low28.5Very low68 Ų68133.5 Ų133.570%0.70175%0.752SS**  trans145120.8163.700000113.3
612V31.4Very low29.1Very low131 Ų131131 Ų13179%0.79475%0.751SS**  cis76.8119.121.7-173.50000112.9
613D30.1Very low28.8Very low141 Ų141133.2 Ų133.275%0.75477%0.765SS**  cis-164.3175.2-6.4-122.8-20.7000113
614S29.5Very low28.5Very low100 Ų100129 Ų12970%0.69976%0.762SS**  trans71.9154.7152.2-71.70000121.9
615Q28.2Very low28.4Very low183 Ų183128.9 Ų128.986%0.85577%0.77SS**  cis-172.7128.6-21.3177.7172.624.800112.8
616G24.8Very low28.2Very low75 Ų75128.6 Ų128.677%0.77377%0.774SS**  trans70.3174.7159.500000118.9
617S27.4Very low28.1Very low108 Ų108128.7 Ų128.776%0.75577%0.774SS**  cis-169.3131.3-19.7-177.70000112.5
618H25.2Very low27.8Very low175 Ų175130.9 Ų130.981%0.8177%0.773SS**  trans63.8140.6155.8-95-70.8000125
619R26Very low27.7Very low203 Ų203131.1 Ų131.177%0.76677%0.765SS**  trans99.9135.5136.5-98.5-176.8-179.8-134.67.2122.3
620E23.7Very low27.3Very low157 Ų157130.9 Ų130.973%0.73476%0.76SS**  trans79.1151.7148.5-77.4161.8-148.700121.9
621A28.1Very low27.2Very low89 Ų89132.2 Ų132.274%0.73676%0.757SS**  trans-120.7-170.1-178.400000107.2
622P39Very low27.1Very low118 Ų118136.2 Ų136.277%0.76676%0.762SS**  cis-145.8-177.111.845.5-25.8000117.5
623C22.3Very low26.8Very low131 Ų131133.8 Ų133.889%0.88576%0.756SS**  trans51.9130.9143.3-157.50000123.1
624G24Very low26.6Very low61 Ų61135.8 Ų135.863%0.62976%0.763SS**  trans114.9143.3147.200000115.6
625T25.3Very low26.4Very low134 Ų134135.1 Ų135.182%0.82276%0.764SS**  cis-163.8152-4.6-51.40000108.1
626L26.8Very low26.1Very low171 Ų171134.8 Ų134.890%0.89576%0.762SS**  trans-175.7141.7136.2-100.8165.1000114.2
627H27.6Very low26.1Very low172 Ų172136.6 Ų136.680%0.79676%0.763SS**  trans-69.1168.1165.8-92.3-7.4000111.6
628D25.9Very low26Very low132 Ų132134.6 Ų134.671%0.70676%0.76SS**  cis-174.1-178.1-16.2-146-11.8000105.3
629S26.3Very low25.9Very low72 Ų72134.3 Ų134.350%0.50376%0.763SS.*  cis-168-176.3-1.2-147.90000112.4
630Y26.7Very low25.7Very low196 Ų196129.7 Ų129.777%0.76976%0.757SS**  trans54.6127.8154-81.8-73.7000124.6
631Q27Very low25.7Very low159 Ų159129 Ų12974%0.74376%0.757SS**  trans46.1117.3135-81.9173.4-30.700124.6
632D24.1Very low25.5Very low153 Ų153131 Ų13182%0.81876%0.76SS**  65.4154.6104-146.63.9000123
633A25.8Very low24.7Very low79 Ų79133.3 Ų133.365%0.65376%0.761SS**  trans77.3117.616200000122.9
634M25.2Very low25.4Very low183 Ų183131.9 Ų131.990%0.90175%0.75SS**  trans64.4113.7130.4-69.3-65-174.800124.2
635A25.2Very low25.4Very low87 Ų87135 Ų13572%0.71975%0.752SS**  87.1152.3115.300000124.1
636E22.3Very low25.5Very low175 Ų175135.4 Ų135.482%0.81875%0.749SS**  trans70.4115.7156-71.9-153.7151.600124.4
637S25.5Very low25.5Very low113 Ų113132.8 Ų132.879%0.7974%0.74SS**  80.2148.1119.8-60.20000122.9
638G23.8Very low25.5Very low67 Ų67131.8 Ų131.869%0.69174%0.74SS**  trans115.8100.3-175.800000111.7
639L23Very low25.6Very low168 Ų168131.8 Ų131.888%0.8874%0.74SS**  cis56.6138.244.4-73.5170.1000111.9
640V22.5Very low25.5Very low106 Ų106134.3 Ų134.364%0.64275%0.753SS**  cis-170.4148.137.480.80000113.1
641I22.8Very low25.6Very low144 Ų144130 Ų13074%0.73875%0.752SS**  trans62.7152.3155.6-28.1165.8000116.7
642T23.8Very low26.5Very low131 Ų131127.1 Ų127.180%0.80475%0.746SS**  cis-157.8154.227.7-33.10000114.8
643E22.5Very low26.7Very low166 Ų166129.5 Ų129.578%0.77674%0.744SS**  trans-68.2-172.1160.2-77.6-81.5147.700113.3
644P37.1Very low27Very low100 Ų100135 Ų13565%0.64975%0.748SS**  cis-140.8-176.13.742-21.8000118.7
645D24.8Very low27.1Very low127 Ų127136.3 Ų136.368%0.67974%0.743SS**  trans91.5124.6132.9-84.8-19.3000126.7
646L28Very low27.1Very low143 Ų143136 Ų13675%0.74974%0.74SS**  trans66.9151.2135.7-56167.1000120.6
647T26.3Very low27.5Very low116 Ų116138.5 Ų138.571%0.71274%0.743SS**  cis-160.5162.86.2-5.20000113.4
648D27.4Very low27.7Very low150 Ų150137.9 Ų137.980%0.80274%0.739SS**  trans10.9159.3143.1-80.12.4000123.4
649D27.5Very low27.8Very low133 Ų133139.3 Ų139.371%0.71174%0.735SS**  cis-173.4-179-11.4174.440.4000109.3
650T24.6Very low28.2Very low124 Ų124137.2 Ų137.276%0.76173%0.725SS**  trans117.3163.5149.372.30000119.6
651S28.9Very low28.5Very low107 Ų107139.4 Ų139.475%0.74873%0.728SS**  trans-145.4-147.6-161.958.30000110.4
652P45.9Very low28.7Very low97 Ų97139.6 Ų139.663%0.6373%0.729SS**  cis-142.8-165.6-16.125.42.3000115.2
653R29Very low28.8Very low203 Ų203140.9 Ų140.977%0.76673%0.728SS**  trans113.1123.3139-69169.3173.4177.4-0123.4
654R30.8Very low29.1Very low194 Ų194139.6 Ų139.673%0.73273%0.727SS**  trans67162.9136.8-62.7176.7-174.2-117.65.7117.8
655R28.5Very low28.6Very low212 Ų212145 Ų14580%0.874%0.736SS**  cis-147.1-176.7-3.3-138.6-176.5-67.1-157.92.8110.2
656A24.8Very low28.6Very low80 Ų80144.8 Ų144.866%0.66174%0.735SS**  trans-125.5-168.6-172.400000114.7
657Y30.8Very low28.8Very low227 Ų227144.4 Ų144.489%0.8974%0.741SS**  trans100145.6176.3-61.5-59.5000116.2
658S28.5Very low28.8Very low101 Ų101143 Ų14371%0.70674%0.741SS**  cis-156.7160.61176.30000114.4
659T27.4Very low29.5Very low96 Ų96146.3 Ų146.359%0.58975%0.748SS**  trans-47.9151.6173.4-1780000118
660N30Very low29.4Very low125 Ų125149.6 Ų149.667%0.66876%0.756SS**  171.8164.8101.8-83.4-33.9000111.3
661Q28.5Very low29.6Very low152 Ų152148.9 Ų148.971%0.7176%0.756SS**  cis-174.4167.3-33-113.3-169.388.800109.2
662L28Very low29.6Very low148 Ų148152.8 Ų152.878%0.77576%0.76SS**  trans69.4153.5174-55.7162.1000115.7
663M25.8Very low28.7Very low157 Ų157152.9 Ų152.977%0.77376%0.759SS**  cis-155.8164.1-4.8-121.8-79.317000110.4
664D29.5Very low28.6Very low140 Ų140149.3 Ų149.375%0.74976%0.762SS**  trans-76.6147.1177.9-59.3-78.6000114.1
665Y24.7Very low28.5Very low214 Ų214145 Ų14584%0.83976%0.762SS**  -171.8154.3128.8-126.2-114.8000116.2
666N26.6Very low28.3Very low122 Ų122139.5 Ų139.565%0.65275%0.748SS**  trans1.5140.6170.5-81.8-16.9000123.2A668N666-A668 PolarHBondContact O-N 3.35Å
667P30.5Very low28.5Very low135 Ų135141.3 Ų141.388%0.87775%0.753SS**  trans-79.197.5162.433.8-32000111.6
668A26.3Very low28.3Very low87 Ų87137.8 Ų137.872%0.71975%0.75SS**  trans-110.9150.716500000110.5N666 K670N666-A668 PolarHBondContact O-N 3.35Å; A668-K670 PolarHBondContact O-N 3.04Å
669K42Very low28Very low218 Ų218136.9 Ų136.995%0.94874%0.744SS**  trans-45.9131.7-172.5-63.7178.8177.1-177.20113
670K27.2Very low28Very low202 Ų202138.1 Ų138.188%0.87875%0.751SS**  trans-119.1141.5159.8-79.3-171.4174.5-178.40109.8A668A668-K670 PolarHBondContact O-N 3.04Å
671S27.1Very low27.7Very low110 Ų110138.2 Ų138.277%0.76976%0.755SS**  trans-73.3148.3173.448.90000111.3
672F28.9Very low27.8Very low189 Ų189136.3 Ų136.383%0.82976%0.756SS**  trans-64.8149.2171-69.7-86.9000111.7
673T27Very low28.1Very low99 Ų99138.6 Ų138.661%0.60776%0.76SS**  trans-119.7155.7166.938.50000109.6S675T673-S675 PolarHBondContact O-N 3.2Å
674P28.3Very low28.6Very low127 Ų127132.9 Ų132.983%0.82573%0.732SS**THydrogen-bonded Turntrans-76.838.7-160.7-16.933.9000116.1
675S27.2Very low29.1Very low105 Ų105129.8 Ų129.873%0.73472%0.72SS**THydrogen-bonded Turntrans-131.61.6-167.9-500000114.7T673T673-S675 PolarHBondContact O-N 3.2Å
676D24.3Very low29.9Very low95 Ų95119.6 Ų119.651%0.50868%0.68SS.*  trans-88.3129171.3-89.8-52.7000110.9N678 S679D676-N678 PolarHBondContact O-N 2.99Å; D676-N678 VanDerWaalsContact O-N 3.08Å; D676-S679 WeakPolarHBondContact O-CB 3.16Å; D676-S679 PolarHBondContact O-N 2.75Å; D676-S679 VanDerWaalsContact O-N 3.16Å; D676-S679 PolarHBondContact O-OG 3.4Å
677P29.7Very low30.9Very low118 Ų118118.7 Ų118.777%0.76667%0.668SS**THydrogen-bonded Turntrans-72.50-175.529.9-36.2000114.7
678N26.6Very low31.9Very low154 Ų154114.3 Ų114.382%0.82463%0.633SS**THydrogen-bonded Turntrans-97.511.5172.6-70.92.8000112.7D676D676-N678 PolarHBondContact O-N 2.99Å; D676-N678 VanDerWaalsContact O-N 3.08Å
679S23.2Very low32.4Very low82 Ų82110.9 Ų110.957%0.57360%0.604SS**  trans-81.7-8.1-176.652.80000114.9D676 V681D676-S679 WeakPolarHBondContact O-CB 3.16Å; D676-S679 PolarHBondContact O-N 2.75Å; D676-S679 VanDerWaalsContact O-N 3.16Å; D676-S679 PolarHBondContact O-OG 3.4Å; S679-V681 PolarHBondContact O-N 2.93Å
680V26.5Very low32Very low122 Ų122105.7 Ų105.774%0.73958%0.582SS**SBendtrans-77.5111167.9-179.10000108.6
681V24.5Very low32.3Very low126 Ų12699 Ų9976%0.76456%0.558SS**  trans-57.6123.5168.2176.60000107.9S679 K683S679-V681 PolarHBondContact O-N 2.93Å; V681-K683 PolarHBondContact O-N 3.17Å; V681-K683 VanDerWaalsContact O-N 3.09Å
682P29.1Very low32.6Very low112 Ų112101.6 Ų101.673%0.72756%0.557SS**  trans-65.4115.3177.926.4-32.8000109.1N684P682-N684 PolarHBondContact O-N 2.98Å; P682-N684 VanDerWaalsContact O-N 3.15Å
683K35.6Very low33Very low197 Ų19797.8 Ų97.886%0.85755%0.546SS*.  trans-55.7119159.9-73.9-174.4174.1-172.60106.7V681 P685V681-K683 PolarHBondContact O-N 3.17Å; V681-K683 VanDerWaalsContact O-N 3.09Å; K683-P685 VanDerWaalsContact O-CD 3.31Å; K683-P685 WeakPolarHBondContact O-CD 3.43Å
684N36.3Very low33.5Very low36 Ų3695.6 Ų95.619%0.19353%0.53CS..  trans-72.3116.7168.3-169.624.3000107.3T72 L73 P682 L686 R687T72-N684 WeakPolarHBondContact CG2-ND2 3.32Å; T72-N684 PolarHBondContact OG1-ND2 3.17Å; L73-N684 PolarHBondContact O-ND2 3.47Å; P682-N684 PolarHBondContact O-N 2.98Å; P682-N684 VanDerWaalsContact O-N 3.15Å; N684-L686 PolarHBondContact O-N 3.44Å; N684-R687 WeakPolarHBondContact O-CB 3.32Å; N684-R687 PolarHBondContact O-N 2.92Å
685P39.1Very low33.8Very low75 Ų7594.9 Ų94.949%0.48752%0.523SS..THydrogen-bonded Turntrans-74.1-8-168.719.6-20.4000114.5K683 R687 N903K683-P685 VanDerWaalsContact O-CD 3.31Å; K683-P685 WeakPolarHBondContact O-CD 3.43Å; P685-R687 PolarHBondContact O-N 3.2Å; P685-N903 HydrophobicContact CG-CB 4.35Å
686L42.3Very low34Very low1 Ų192.4 Ų92.41%0.00552%0.515CS..THydrogen-bonded Turntrans-71.2-11.5164.8-62.2-167.1000113.5V60 G61 L73 N684 R688 N903 F911V60-L686 WeakPolarHBondContact O-CD2 3.27Å; G61-L686 WeakPolarHBondContact CA-O 3.41Å; L73-L686 HydrophobicContact CB-CD1 3.51Å; L73-L686 HydrophobicContact CG-CD1 4.32Å; L73-L686 VanDerWaalsContact O-CD1 3.32Å; L73-L686 WeakPolarHBondContact O-CD1 3.49Å; N684-L686 PolarHBondContact O-N 3.44Å; L686-R688 PolarHBondContact O-N 3.05Å; L686-N903 HydrophobicContact CD2-CB 4.48Å; L686-N903 WeakPolarHBondContact CD2-ND2 3.33Å; L686-N903 WeakPolarHBondContact CG-ND2 3.3Å; L686-F911 HydrophobicContact CD1-CE1 4.32Å
687R47.5Very low34.5Very low103 Ų10396.9 Ų96.939%0.38953%0.533SS..  trans-81.2114.3-176.7-164.9-168.2-153.5150.120.9110.6E63 N684 P685 S689 L916E63-R687 WeakPolarHBondContact OE1-CA 3.26Å; E63-R687 WeakPolarHBondContact OE1-CG 3.4Å; N684-R687 WeakPolarHBondContact O-CB 3.32Å; N684-R687 PolarHBondContact O-N 2.92Å; P685-R687 PolarHBondContact O-N 3.2Å; R687-S689 WeakPolarHBondContact CG-O 3.17Å; R687-S689 PolarHBondContact NE-O 2.77Å; R687-L916 VanDerWaalsContact NH2-CD2 3.27Å
688R52Low34.3Very low43 Ų43100.2 Ų100.216%0.16254%0.54CS..  trans-112.9-14.9179.5-72.9173.9162.2-128.2-22.5112.8E63 S137 L686 L856E63-R688 PolarHBondContact OE1-N 3.18Å; S137-R688 WeakPolarHBondContact OG-CD 3.45Å; S137-R688 PolarHBondContact OG-NH1 2.8Å; S137-R688 VanDerWaalsContact OG-NH1 3.09Å; L686-R688 PolarHBondContact O-N 3.05Å; R688-L856 HydrophobicContact CB-CD2 4.14Å; R688-L856 PolarHBondContact NH1-O 3.07Å; R688-L856 PolarHBondContact NH2-O 3.27Å
689S35.4Very low34.2Very low15 Ų1597.6 Ų97.611%0.10553%0.534CS..SBendtrans-99.7146.1173.9-6.70000112.7E63 L135 R687E63-S689 PolarHBondContact OE1-N 3.34Å; E63-S689 PolarHBondContact OE1-OG 2.97Å; E63-S689 VanDerWaalsContact OE1-OG 3.05Å; E63-S689 WeakPolarHBondContact OE2-CB 3.47Å; E63-S689 PolarHBondContact OE2-OG 3.25Å; L135-S689 WeakPolarHBondContact CD2-OG 3.44Å; R687-S689 WeakPolarHBondContact CG-O 3.17Å; R687-S689 PolarHBondContact NE-O 2.77Å
690K35.2Very low34.8Very low109 Ų10999.4 Ų99.447%0.47454%0.544SS..  trans-82.7147156.9-57.1168.7-177.4165.10108.3Q692 D693 L694K690-Q692 PolarHBondContact O-N 2.89Å; K690-Q692 VanDerWaalsContact O-N 3.17Å; K690-D693 VanDerWaalsContact CB-OD2 3.3Å; K690-D693 WeakPolarHBondContact CB-OD2 3.49Å; K690-D693 PolarHBondContact N-OD2 3.42Å; K690-D693 PolarHBondContact O-N 2.95Å; K690-L694 PolarHBondContact O-N 3.24Å
691V33.3Very low34.8Very low62 Ų62101.7 Ų101.738%0.37655%0.546SS..Hα-helixtrans-53.9-38.9176.2-1760000111.3I70 D693 L694 T695I70-V691 HydrophobicContact CD1-CG2 4.43Å; V691-D693 VanDerWaalsContact C-N 3.28Å; V691-D693 PolarHBondContact O-N 3.16Å; V691-L694 PolarHBondContact O-N 3.02Å; V691-L694 VanDerWaalsContact O-N 3.17Å; V691-T695 PolarHBondContact O-N 3.24Å; V691-T695 PolarHBondContact O-OG1 3.25Å
692Q32.3Very low34.9Very low163 Ų163104.7 Ų104.776%0.76255%0.552SS**Hα-helixtrans-64.1-28-178.7-71176.8-41.100114.1K690 G696K690-Q692 PolarHBondContact O-N 2.89Å; K690-Q692 VanDerWaalsContact O-N 3.17Å; Q692-G696 WeakPolarHBondContact O-CA 3.46Å; Q692-G696 PolarHBondContact O-N 3.2Å
693D37.8Very low34.8Very low110 Ų110107.8 Ų107.859%0.58856%0.557SS**Hα-helixtrans-77.5-34.4177.5-51.6-42.3000110.3K690 V691K690-D693 VanDerWaalsContact CB-OD2 3.3Å; K690-D693 WeakPolarHBondContact CB-OD2 3.49Å; K690-D693 PolarHBondContact N-OD2 3.42Å; K690-D693 PolarHBondContact O-N 2.95Å; V691-D693 VanDerWaalsContact C-N 3.28Å; V691-D693 PolarHBondContact O-N 3.16Å
694L37.9Very low34.4Very low53 Ų53107 Ų10728%0.27756%0.558SS.*Hα-helixtrans-79.3-36178.5-68.7176.3000113.8M65 K690 V691 G696M65-L694 HydrophobicContact CE-CB 3.85Å; M65-L694 HydrophobicContact CE-CD1 4.47Å; M65-L694 HydrophobicContact CE-CD2 3.95Å; M65-L694 HydrophobicContact CE-CG 4.31Å; M65-L694 HydrophobicContact SD-CB 3.67Å; M65-L694 HydrophobicContact SD-CD1 3.76Å; M65-L694 HydrophobicContact SD-CD2 4.33Å; M65-L694 HydrophobicContact SD-CG 4.13Å; K690-L694 PolarHBondContact O-N 3.24Å; V691-L694 PolarHBondContact O-N 3.02Å; V691-L694 VanDerWaalsContact O-N 3.17Å; L694-G696 PolarHBondContact O-N 2.94Å
695T33.8Very low33.8Very low111 Ų111113 Ų11368%0.68159%0.585SS**SBendtrans-84.56.3172.7-32.70000112.2V691V691-T695 PolarHBondContact O-N 3.24Å; V691-T695 PolarHBondContact O-OG1 3.25Å
696G31.1Very low33.1Very low54 Ų54121.1 Ų121.156%0.55761%0.606SS**  trans-81.7-18.7-170.500000115.9Q692 L694Q692-G696 WeakPolarHBondContact O-CA 3.46Å; Q692-G696 PolarHBondContact O-N 3.2Å; L694-G696 PolarHBondContact O-N 2.94Å
697Q34.5Very low32.2Very low188 Ų188129.8 Ų129.888%0.87964%0.644SS**SBendtrans-111.656.5-174.1-67.7-149.227.400114.6
698M25.9Very low31Very low188 Ų188131.7 Ų131.793%0.92666%0.662SS**  trans-157.994.4153.2-118-165.3-174.600113.5
699S25Very low29.6Very low99 Ų99136.5 Ų136.569%0.69269%0.691SS**  trans-164137.9151.8-158.80000111.2E701S699-E701 PolarHBondContact O-N 3.46Å; S699-E701 VanDerWaalsContact O-N 3.13Å
700P35.6Very low29Very low121 Ų121141.3 Ų141.379%0.78672%0.723SS**  trans-89.575.4-167.635.8-36.7000113.6
701E25.9Very low28.5Very low169 Ų169145 Ų14579%0.7974%0.742SS**  trans-1229.1178.6-63.5-166.4153.400115.1S699S699-E701 PolarHBondContact O-N 3.46Å; S699-E701 VanDerWaalsContact O-N 3.13Å
702Q26.6Very low28.6Very low190 Ų190147.1 Ų147.189%0.88876%0.757SS**SBendtrans-114.1-2.1174.9-68.4-167.8-3.600115.3
703E28.2Very low28.1Very low177 Ų177148.7 Ų148.783%0.82776%0.764SS**SBendtrans-82.8149.8153.7-72.3-160.3111.600110.1H705E703-H705 PolarHBondContact O-N 2.95Å
704M25.8Very low27.6Very low179 Ų179151 Ų15188%0.88278%0.776SS**SBendtrans71.112.9178-47.2-157.678.800118.4
705H24.6Very low27Very low163 Ų163153.3 Ų153.376%0.75580%0.802SS**SBendtrans-129.492.9143.9-97.740.9000106.9E703E703-H705 PolarHBondContact O-N 2.95Å
706W24.4Very low26.7Very low245 Ų245151 Ų15193%0.92880%0.801SS**SBend-145.6100.356.6-89.666.2000113.9
707K22.5Very low26.3Very low183 Ų183157.2 Ų157.280%0.79682%0.82SS**SBendtrans-169.196.4142.8-118.4170.9-176.7169.80113.8
708N23.6Very low25.9Very low143 Ų143152.1 Ų152.177%0.76582%0.818SS**  trans66.6147.8158.5-49-3.1000115.3
709D23.1Very low25.7Very low145 Ų145147.8 Ų147.878%0.77581%0.812SS**  cis-113.8163.67-76.2-56.2000110.6
710C22.8Very low26.6Very low115 Ų115148.4 Ų148.478%0.77781%0.814SS**  cis-154.3147.346.4-63.90000114.6
711Q24.1Very low26.1Very low188 Ų188147.1 Ų147.188%0.87981%0.808SS**SBendtrans-100.9161.5134.6-105.8-164.3-50.300109.3
712P34.3Very low26Very low106 Ų106147.7 Ų147.769%0.68881%0.808SS**PPolyproline II helixtrans-82.9144.8-135.730.3-37.6000115.5
713Q23.7Very low26Very low196 Ų196149.9 Ų149.992%0.91681%0.808SS**PPolyproline II helixtrans-78.4124.5156.6-70.5-165.44.800110.1
714L25.8Very low25.8Very low159 Ų159145.5 Ų145.583%0.83281%0.81SS**  trans-128.588.2172.1-145.3174.4000109.2
715A26.3Very low25.8Very low100 Ų100148.5 Ų148.583%0.82681%0.812SS**  trans-89.1139.5165.700000109.3
716G26.2Very low27Very low63 Ų63146.2 Ų146.265%0.64981%0.811SS**  cis163.3143.5-6.900000110.8
717L24.6Very low27.1Very low184 Ų184137.8 Ų137.896%0.96380%0.801SS**  trans-149.7140.8174.9-79179.8000111.3
718G24.1Very low27.3Very low81 Ų81136.1 Ų136.184%0.83581%0.806SS**  trans89.9114.7157.900000117.2
719A22.6Very low27.3Very low97 Ų97132.5 Ų132.580%0.80280%0.802SS**  trans-88.1-179.4157.600000109.3
720P43.6Very low27.6Very low113 Ų113134.8 Ų134.873%0.73481%0.808SS**  cis-144.9-177.27.843.9-24.7000117.9
721S25.4Very low27.9Very low94 Ų94138.6 Ų138.666%0.65781%0.811SS**  trans91.9123.7137-78.30000124.6
722F24.7Very low28.7Very low180 Ų180135.4 Ų135.479%0.78981%0.807SS**  trans84.4121135.6-75.8-52.1000125
723R26Very low29.5Very low237 Ų237135.7 Ų135.789%0.89481%0.809SS**  trans62.4129.2140.1-73.5-177.8177.5-152.8-0.1121
724G23.5Very low30.7Very low84 Ų84130.7 Ų130.787%0.86679%0.793SS**  trans164.798152.400000116.8
725R25.1Very low30.8Very low243 Ų243131 Ų13192%0.91779%0.79SS**  trans-131167164.4-133.8-154.3176.6-156.72.1106.5
726P51.6Low30.8Very low114 Ų114132.2 Ų132.274%0.7478%0.779SS**  cis-128.6-175.8-22.939.9-24.6000113
727G24.7Very low30.8Very low69 Ų69136.7 Ų136.771%0.71178%0.783SS**  trans-173.6119.8163.700000116.3
728T26.7Very low30.9Very low147 Ų147135 Ų13590%0.90278%0.775SS**  trans-8.9152156.350.90000121
729G25.4Very low31Very low67 Ų67138 Ų13869%0.69177%0.772SS**  cis156.8164.4-4.200000115.1
730H27.6Very low31.3Very low193 Ų193137.7 Ų137.789%0.89476%0.764SS**  trans66128.6160.6-69.3-89.1000124
731K29.3Very low30.5Very low196 Ų196140.8 Ų140.885%0.85277%0.768SS**  trans-68.5172.9155-91.1-176173.7-174.80111.2
732P41.5Very low30.5Very low120 Ų120144.1 Ų144.178%0.77978%0.778SS**  cis-150.5-136.44151.1-27.2000115.7
733P50.2Low30.7Very low113 Ų113144 Ų14473%0.73478%0.78SS**  trans-129.1-133.5-145.639.2-10.8000111.9
734P50.3Low31.6Very low91 Ų91138.3 Ų138.359%0.59177%0.774SS**  cis-133.5-170.1-3042.2-24.6000114.8
735Q27.3Very low31.7Very low165 Ų165142.9 Ų142.977%0.77177%0.772SS**  trans63.9169.7154.6-74.9177.4-80.500118.8
736Q25.8Very low32.6Very low126 Ų126137.1 Ų137.159%0.58977%0.766SS**  cis-173.4146.5-34.8175.9171-9.900109.5
737E27.1Very low31.6Very low156 Ų156140.3 Ų140.373%0.72977%0.771SS**  trans69.6160.3160.9-85.8147.6-152.400123.7
738D26.6Very low32.8Very low148 Ų148142 Ų14279%0.79177%0.77SS**  trans67.898.8160.2-695.8000126.2
739D26.8Very low33.1Very low145 Ų145142 Ų14278%0.77576%0.763SS**  80.9155.298.6-147.641.7000125.2
740S27.3Very low33.4Very low91 Ų91146.1 Ų146.164%0.63677%0.77SS**  trans79.3102.1156.8-74.80000123.9
741E26.9Very low33.3Very low177 Ų177140.2 Ų140.283%0.82776%0.761SS**  58.9152.3127.3-70.2-152.9124.700127.2
742L25.7Very low34.2Very low164 Ų164137.6 Ų137.686%0.85976%0.764SS**  trans94.8137.2152.9-74.5153.4000123.4
743H29.6Very low33.8Very low178 Ų178140.5 Ų140.582%0.82477%0.767SS**  trans-77.7176.6176.2-83.4-64.8000113.3
744P43.6Very low34.2Very low118 Ų118140.3 Ų140.377%0.76677%0.766SS**  cis-149.4-160.627.544.4-20.8000119
745Q25.9Very low33.2Very low180 Ų180141.2 Ų141.284%0.84177%0.774SS**  trans-41.2-178.5166.6-74.6-178-37.100118.9
746P44.9Very low33.4Very low122 Ų122140.6 Ų140.679%0.79278%0.776SS**  cis-137.5-160.96.527.9-0.3000117.3
747Q31.3Very low33.8Very low181 Ų181140 Ų14085%0.84679%0.786SS**  trans-77.3-160.9173.4-53.3177.2-50.700113.3
748P49.8Very low33.9Very low104 Ų104139.2 Ų139.268%0.67579%0.792SS**  cis-152.6-168.74.147.7-26000120.7
749L32.9Very low33.8Very low147 Ų147135.3 Ų135.377%0.7779%0.787SS**  trans89.3125.8146.8-75.4168.3000126
750D31.4Very low34.2Very low154 Ų154135.2 Ų135.282%0.82479%0.791SS**  trans67.2155.1138.7-70.41.5000127.5
751G25.4Very low35.4Very low68 Ų68136.3 Ų136.370%0.70180%0.796SS**  trans-120.5-163.5-17400000115.5
752P48.4Very low35.8Very low142 Ų142134.9 Ų134.992%0.92280%0.799SS**  -158.2-164.7110.841.8-20.8000117.5
753Q31.8Very low36.3Very low181 Ų181131.3 Ų131.385%0.84679%0.793SS**  trans-109.2-164.4-177.8-125.5-172.811.800112
754P59Low36.2Very low108 Ų108134 Ų13470%0.70180%0.796SS**  cis-138.3-175.6-18.541-22.4000116.2
755S30.4Very low35.7Very low111 Ų111135.5 Ų135.578%0.77680%0.797SS**  trans166.3128.5136.9650000119.8
756D31.5Very low37.2Very low152 Ų152132.5 Ų132.581%0.81379%0.794SS**  trans46.1126.4139-64.7-2000130.2
757S33Very low36.7Very low112 Ų112131.4 Ų131.478%0.78380%0.795SS**  trans75.2157.9137.585.90000120.8
758T29.9Very low36.7Very low140 Ų140126 Ų12686%0.85979%0.787SS**  cis-154.3151.76.1-48.20000112.3
759G25Very low35.9Very low66 Ų66128.3 Ų128.368%0.6879%0.794SS**  trans133.8111.4151.300000118.4
760V33.9Very low35.8Very low144 Ų144129.6 Ų129.687%0.87380%0.802SS**  trans-150.8136.7-178.2174.70000113.5
761P54Low35.7Very low113 Ų113125.5 Ų125.573%0.73480%0.796SS**  trans-137.6148.715937.1-21.3000116.9
762V34.2Very low36Very low148 Ų148127.2 Ų127.290%0.89780%0.797SS**  trans31.8128.9136.3-179.60000119
763A36.9Very low35.2Very low88 Ų88131.2 Ų131.273%0.72779%0.794SS**  cis-168.9-167-6.200000107.9
764R27.1Very low35.1Very low236 Ų236127.6 Ų127.689%0.89179%0.789SS**  cis-156.6-179.913.5-152.3174.8-174.2172.72.3111.1
765N32.6Very low33.8Very low148 Ų148126.7 Ų126.779%0.79179%0.785SS**  trans-122.5-178.9-158.8-71.216.9000111.8
766P58.5Low33.8Very low118 Ų118126.7 Ų126.777%0.76678%0.78SS**  cis-151.2173.121.944.6-23.6000122.3
767A33.8Very low33.5Very low99 Ų99126.8 Ų126.882%0.81878%0.781SS**  trans67.6146.9158.500000118.9
768G30.3Very low33.4Very low66 Ų66126.8 Ų126.868%0.6878%0.781SS**  cis153164.5-3.300000111.9
769D34.5Very low34.2Very low154 Ų154125.8 Ų125.882%0.82478%0.776SS**  cis-168.9173.7-13.5-86.1-50.7000109.9
770D30.6Very low34.4Very low173 Ų173127 Ų12793%0.92578%0.775SS**  trans73.6158.9170-110.8-32.6000121.1
771G28.7Very low34.4Very low69 Ų69126.9 Ų126.971%0.71177%0.774SS**  trans-170.5-87.9-174.700000121.1
772S31.8Very low33.1Very low103 Ų103124.7 Ų124.772%0.7277%0.772SS**  trans69.9132.8175.3-74.10000123.5
773R30.9Very low33Very low227 Ų227122.7 Ų122.786%0.85777%0.765SS**  trans72127.2143.1-67.8171.3-179.9-153.5-3.9119.7
774S29.8Very low32.7Very low105 Ų105126 Ų12673%0.73477%0.769SS**  86.1151.775.8105.10000113.4
775S33.1Very low32.8Very low88 Ų88118.1 Ų118.162%0.61576%0.761SS**  cis-172164.33.632.20000113.2
776T29.3Very low32.7Very low112 Ų112117.1 Ų117.169%0.68776%0.756SS**  trans68128.9141.246.80000124.4
777D26Very low31.3Very low153 Ų153118.6 Ų118.682%0.81876%0.762SS**  97.2124.8129.1-65.2-0.8000124.3
778S30.5Very low31.1Very low112 Ų112120.8 Ų120.878%0.78376%0.761SS**  trans-80.3-159.8165.2-36.40000110.7
779P47.6Very low31Very low119 Ų119120.6 Ų120.677%0.77376%0.759SS**  cis-131-140-738.6-14.5000110.4
780S29.5Very low30.7Very low93 Ų93124.4 Ų124.465%0.6576%0.763SS**  cis-162.9165.9-2.640.90000111
781V31.9Very low30.5Very low140 Ų140118.6 Ų118.685%0.84874%0.744SS**  trans68.5130.6163.8-162.30000116.4
782G28.4Very low30.8Very low68 Ų68123.8 Ų123.870%0.70175%0.749SS**  cis121.1137.8-7.800000114.6
783S30.6Very low30.4Very low105 Ų105127.2 Ų127.273%0.73475%0.754SS**  trans172.1101145.21760000113.7
784I30.8Very low30Very low158 Ų158124 Ų12481%0.8175%0.75SS**  trans55.8113.7135.7-55166.7000118.3
785G30.3Very low29.7Very low71 Ų71124 Ų12473%0.73275%0.749SS**  trans-16818.8164.500000115.2
786D28.9Very low29.4Very low127 Ų127129 Ų12968%0.67976%0.763SS**  trans-80.8135.9-157.1-38.7-53.3000113.7
787T30.9Very low29.1Very low148 Ų148128.2 Ų128.291%0.90877%0.768SS**  trans-154.597132.8-20.40000110.5
788D27.9Very low29Very low146 Ų146130.1 Ų130.178%0.78177%0.772SS**  trans-65.7-178.8169.5-52.4-83.9000111.3
789G28.2Very low28.8Very low62 Ų62131 Ų13164%0.63977%0.773SS**  cis155.6162.821.200000107.3
790Y29Very low27.6Very low234 Ų234131.2 Ų131.292%0.91877%0.774SS**  cis-143.3128.846.7-96.8-104.7000112.5
791G26.7Very low27.3Very low50 Ų50135.3 Ų135.352%0.51578%0.783SS.*  trans-85.1-170.7130.400000109
792H33.8Very low27Very low178 Ų178138.1 Ų138.182%0.82479%0.787SS**  cis-163.4154.915.3-107.1-77.4000110.9
793Q25.3Very low26.7Very low175 Ų175141.2 Ų141.282%0.81879%0.793SS**  trans-178.1151.3148.7-103.4152.193.300107.9
794M22.4Very low26.3Very low159 Ų159144.5 Ų144.578%0.78380%0.796SS**  cis-166.4139-16.7-136.341.6178.900106.1
795C22.3Very low26Very low106 Ų106146.3 Ų146.372%0.71680%0.803SS**  cis-155.3-153.8-8.1-154.80000108.6
796Q26.5Very low25.6Very low193 Ų193148.2 Ų148.290%0.90281%0.805SS**  trans-130.9157.8161.4-77.1-175.3-20.200110.9
797A24.4Very low25.5Very low96 Ų96150.6 Ų150.679%0.79381%0.812SS**  trans-145.7113.616600000111.2
798E22.4Very low25.3Very low192 Ų192151.4 Ų151.490%0.89781%0.81SS**  trans39.2117.2149.6-58-174.9150.800121.6
799T26.5Very low25Very low131 Ų131147.9 Ų147.980%0.80481%0.808SS**PPolyproline II helixtrans-75.2133.1156.348.50000111.7
800P24Very low25.5Very low124 Ų124151.6 Ų151.681%0.80582%0.819SS**PPolyproline II helixtrans-69142.5158.9-13.629.4000110.6
801Q22Very low25.5Very low178 Ų178146.6 Ų146.683%0.83281%0.813SS**PPolyproline II helixtrans-77.5163.4173.4-69-176.5-89.600112.3T803Q801-T803 PolarHBondContact O-N 3.05Å
802E26.5Very low25.5Very low199 Ų199149.3 Ų149.393%0.9382%0.824SS**PPolyproline II helixtrans-48.2126.6173.4-59.5171.5117.800111.9
803T20.9Very low25.6Very low134 Ų134149.4 Ų149.482%0.82282%0.824SS**  trans-114.1122.3165.4-54.30000107.8Q801Q801-T803 PolarHBondContact O-N 3.05Å
804H22.1Very low26.1Very low174 Ų174149.6 Ų149.681%0.80683%0.825SS**  trans-54.5140.5-176.4-78.5-96.6000112.6S806H804-S806 PolarHBondContact O-N 3.41Å
805M25.1Very low27.2Very low196 Ų196150 Ų15097%0.96682%0.822SS**  trans-62.3105.6162.9-70.9-168.474.300109.9
806S23Very low28.8Very low111 Ų111145.9 Ų145.978%0.77680%0.798SS**  trans-106.4144.1167.456.60000110H804H804-S806 PolarHBondContact O-N 3.41Å
807H26Very low31.1Very low177 Ų177141.8 Ų141.882%0.81978%0.782SS**  trans-79.4160.2-170.7-88-102000114.1
808L26.2Very low34.2Very low164 Ų164137.3 Ų137.386%0.85975%0.745SS**  trans78.8125.6162.8-95.369000118.4
809G22.6Very low37.4Very low73 Ų73131.4 Ų131.475%0.75372%0.716SS**  trans170.960.2176.100000111.4T811G809-T811 PolarHBondContact O-N 3.16Å
810T37.6Very low40.6Very low139 Ų139125.2 Ų125.285%0.85368%0.679SS**  trans-67115.1-166.549.10000114.1
811T29.7Very low43.8Very low129 Ų129119.4 Ų119.479%0.79164%0.641SS**  trans-117.5156.115051.30000108.4G809 H813G809-T811 PolarHBondContact O-N 3.16Å; T811-H813 PolarHBondContact O-N 3.02Å
812S27.4Very low47.2Very low108 Ų108111 Ų11176%0.75560%0.601SS**  trans-75.1113.3-165.649.10000113.1H814S812-H814 PolarHBondContact O-N 3.38Å
813H34.1Very low50.3Low180 Ų180103.2 Ų103.283%0.83357%0.569SS**  trans-61.1122.8161.3-70-88.9000109.8T811 K815T811-H813 PolarHBondContact O-N 3.02Å; H813-K815 PolarHBondContact O-N 3.26Å
814H36.5Very low53.6Low179 Ų17997.2 Ų97.283%0.82953%0.533SS*.  trans-67.8113.3154.8-73.8-96.8000107.1S812S812-H814 PolarHBondContact O-N 3.38Å
815K44.8Very low56.6Low168 Ų16891.1 Ų91.173%0.7351%0.507SS*.  trans-99.2117.2179.3-178.4-168.8174.4-155.60106.6H813 D817H813-K815 PolarHBondContact O-N 3.26Å; K815-D817 PolarHBondContact O-N 3.11Å
816G56.4Low59.4Low19 Ų1982 Ų8220%0.19646%0.462CS..  trans-61.511917600000110.3C818 V836G816-C818 VanDerWaalsContact C-N 3.34Å; G816-V836 WeakPolarHBondContact O-CG1 2.98Å
817D75.1Confident61.7Low106 Ų10677.5 Ų77.557%0.56743%0.43SS*.  trans-87.1-4.9-176.7-83-22.3000112.9P541 K815P541-D817 HydrophobicContact CG-CB 4.38Å; K815-D817 PolarHBondContact O-N 3.11Å
818C88.8Confident63.9Low3 Ų370.9 Ų70.92%0.0241%0.41CS..EExtended strand (participates in β ladder)trans-110.7145.6174.2-59.30000111.4L539 F540 G816 F837 I839L539-C818 WeakPolarHBondContact O-CA 3.34Å; F540-C818 HydrophobicContact CD1-CB 4.15Å; F540-C818 HydrophobicContact CE1-CB 4.33Å; G816-C818 VanDerWaalsContact C-N 3.34Å; C818-F837 HydrophobicContact CB-CD1 4.38Å; C818-F837 HydrophobicContact CB-CD2 3.9Å; C818-F837 HydrophobicContact CB-CE1 4.09Å; C818-F837 HydrophobicContact CB-CE2 3.56Å; C818-F837 HydrophobicContact CB-CG 4.29Å; C818-F837 HydrophobicContact CB-CZ 3.66Å; C818-F837 PolarHBondContact N-O 3.31Å; C818-F837 PolarHBondContact O-N 2.85Å; C818-F837 VanDerWaalsContact O-O 3.07Å; C818-I839 VanDerWaalsContact SG-CG2 3.54Å
819K91.4Very high66.4Low67 Ų6768.4 Ų68.429%0.29139%0.394SS..EExtended strand (participates in β ladder)trans-140.8146.3176.9-51.8-172.2168.7-158.70112.5L539 E834 V835 V836L539-K819 HydrophobicContact CB-CB 4.18Å; L539-K819 HydrophobicContact CD1-CB 4.39Å; L539-K819 PolarHBondContact N-O 2.69Å; L539-K819 PolarHBondContact O-N 2.75Å; K819-E834 HydrophobicContact CD-CG 4.46Å; K819-E834 WeakPolarHBondContact CD-OE1 3.41Å; K819-E834 WeakPolarHBondContact CE-OE1 3.44Å; K819-E834 IonicContact NZ-OE1 3.38Å; K819-E834 PolarHBondContact NZ-OE1 2.79Å; K819-V835 CarbonylContact C-O 3.49Å; K819-V835 VanDerWaalsContact CA-O 3.26Å; K819-V835 WeakPolarHBondContact CA-O 3.47Å; K819-V836 HydrophobicContact CD-CG2 4.19Å; K819-V836 HydrophobicContact CG-CG1 4.44Å; K819-V836 HydrophobicContact CG-CG2 4.15Å
820A92.8Very high69.4Low2 Ų269.8 Ų69.82%0.01739%0.39CS..EExtended strand (participates in β ladder)trans-114.5128.1165.100000109V281 L336 W538 V835 F837V281-A820 HydrophobicContact CG2-CB 4.24Å; L336-A820 HydrophobicContact CD1-CB 4.34Å; L336-A820 HydrophobicContact CD2-CB 4.34Å; W538-A820 HydrophobicContact CD2-CB 4.49Å; W538-A820 HydrophobicContact CE3-CB 3.89Å; W538-A820 HydrophobicContact CZ3-CB 3.9Å; A820-V835 PolarHBondContact N-O 2.6Å; A820-V835 PolarHBondContact O-N 3.24Å; A820-F837 HydrophobicContact CB-CE1 4.15Å
821V91.9Very high71.8Confident1 Ų166.2 Ų66.21%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-115.2122.3177.2160.50000108.5I536 E537 K832 W833 E834I536-V821 CarbonylContact C-O 3.57Å; I536-V821 WeakPolarHBondContact CA-O 3.47Å; E537-V821 HydrophobicContact CB-CB 3.96Å; E537-V821 HydrophobicContact CB-CG1 4.1Å; E537-V821 HydrophobicContact CG-CB 4.34Å; E537-V821 PolarHBondContact N-O 2.81Å; E537-V821 PolarHBondContact O-N 3.5Å; E537-V821 WeakPolarHBondContact OE2-CG1 3.38Å; V821-K832 HydrophobicContact CG1-CD 3.78Å; V821-K832 HydrophobicContact CG1-CG 4.01Å; V821-W833 WeakPolarHBondContact CA-O 3.44Å; V821-E834 HydrophobicContact CG2-CB 4.36Å; V821-E834 HydrophobicContact CG2-CG 4.09Å
822V92.6Very high74.8Confident2 Ų265.8 Ų65.81%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-96127165.9-176.70000107.8L336 F338 I534 L562 K832 W833L336-V822 HydrophobicContact CD2-CG2 3.72Å; F338-V822 HydrophobicContact CD1-CG1 4.02Å; F338-V822 HydrophobicContact CD1-CG2 4.34Å; F338-V822 HydrophobicContact CE1-CG1 3.89Å; I534-V822 HydrophobicContact CG2-CG1 4.08Å; L562-V822 HydrophobicContact CD2-CG1 4.1Å; L562-V822 HydrophobicContact CD2-CG2 4.36Å; V822-K832 CarbonylContact O-C 3.6Å; V822-K832 VanDerWaalsContact O-CA 3.31Å; V822-K832 WeakPolarHBondContact O-CA 3.49Å; V822-W833 HydrophobicContact CB-CE3 4.26Å; V822-W833 HydrophobicContact CG1-CE3 4.13Å; V822-W833 PolarHBondContact N-O 3.1Å; V822-W833 PolarHBondContact O-N 3.19Å
823S91.3Very high77.9Confident36 Ų3663.2 Ų63.225%0.25233%0.325SS..EExtended strand (participates in β ladder)trans-129.4152.3170.675.90000111I534 S535 M831I534-S823 CarbonylContact C-O 3.51Å; I534-S823 VanDerWaalsContact CA-O 3.28Å; I534-S823 WeakPolarHBondContact CA-O 3.42Å; S535-S823 PolarHBondContact N-O 2.69Å; S535-S823 PolarHBondContact O-N 2.85Å; S535-S823 PolarHBondContact OG-OG 3Å; S823-M831 WeakPolarHBondContact CA-O 3.43Å
824G89.9Confident80.7Confident7 Ų759.2 Ų59.27%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-176.6176.4177.600000112.6M831G824-M831 PolarHBondContact N-O 3.16Å; G824-M831 VanDerWaalsContact N-O 3.07Å; G824-M831 PolarHBondContact O-N 2.79Å
825L86.1Confident83.3Confident46 Ų4651.9 Ų51.924%0.24128%0.275CS..EExtended strand (participates in β ladder)trans-103.6110.6178.9-60.9-179.8000110.2S532 D533 Q829 P830S532-L825 PolarHBondContact N-O 2.89Å; S532-L825 PolarHBondContact O-N 2.88Å; D533-L825 HydrophobicContact CB-CD1 4.34Å; D533-L825 HydrophobicContact CB-CG 4.37Å; L825-Q829 CarbonylContact C-O 3.46Å; L825-Q829 WeakPolarHBondContact CA-O 3.45Å; L825-P830 HydrophobicContact CD2-CB 4.26Å
826L83.7Confident85.5Confident5 Ų547.5 Ų47.53%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-94.1109.4169.8-177.854.4000108.6L342 I345 P529 V530 L531 G828 Q829 M831L342-L826 HydrophobicContact CD2-CD1 4.02Å; L342-L826 HydrophobicContact CD2-CD2 4.42Å; I345-L826 HydrophobicContact CB-CD2 3.98Å; I345-L826 HydrophobicContact CG2-CD2 3.46Å; I345-L826 VanDerWaalsContact CG2-CD2 3.46Å; P529-L826 HydrophobicContact CB-CD1 4.27Å; V530-L826 WeakPolarHBondContact O-CD1 3.26Å; L531-L826 HydrophobicContact CD1-CB 3.84Å; L826-G828 PolarHBondContact O-N 3.32Å; L826-Q829 PolarHBondContact N-O 2.73Å; L826-Q829 PolarHBondContact O-N 3.33Å; L826-M831 HydrophobicContact CB-CE 4.47Å; L826-M831 HydrophobicContact CB-CG 3.77Å; L826-M831 HydrophobicContact CD2-CE 4.3Å; L826-M831 HydrophobicContact CD2-CG 4.45Å
827C72.1Confident87.2Confident16 Ų1647.6 Ų47.611%0.10826%0.257CS..THydrogen-bonded Turntrans52.442.1178.1-65.30000112.8C346 K351 Q829C346-C827 VanDerWaalsContact SG-SG 3.67Å; K351-C827 HydrophobicContact CB-CB 3.71Å; K351-C827 WeakPolarHBondContact O-CA 3.38Å; K351-C827 WeakPolarHBondContact O-CB 3.47Å; K351-C827 PolarHBondContact O-SG 2.61Å; C827-Q829 VanDerWaalsContact C-N 3.3Å; C827-Q829 PolarHBondContact O-N 3.44Å
828G70.6Confident87.7Confident39 Ų3945.7 Ų45.740%0.40225%0.246SC..THydrogen-bonded Turntrans77.2-0.3-177.500000116.1L826L826-G828 PolarHBondContact O-N 3.32Å
829Q79.3Confident87.6Confident112 Ų11245.6 Ų45.652%0.52325%0.246SC..EExtended strand (participates in β ladder)trans-100.2132.7174.2-63.4-61.7-73.800111L825 L826 C827 M831L825-Q829 CarbonylContact C-O 3.46Å; L825-Q829 WeakPolarHBondContact CA-O 3.45Å; L826-Q829 PolarHBondContact N-O 2.73Å; L826-Q829 PolarHBondContact O-N 3.33Å; C827-Q829 VanDerWaalsContact C-N 3.3Å; C827-Q829 PolarHBondContact O-N 3.44Å; Q829-M831 HydrophobicContact CB-CE 4.48Å; Q829-M831 PolarHBondContact O-N 2.92Å
830P86.4Confident87.1Confident102 Ų10248.9 Ų48.966%0.66226%0.262SS*.EExtended strand (participates in β ladder)trans-70.5125.5176.629.3-33.6000110.9L825L825-P830 HydrophobicContact CD2-CB 4.26Å
831M88.1Confident86.7Confident63 Ų6352.4 Ų52.431%0.3129%0.285SS..EExtended strand (participates in β ladder)trans-114.2144.2172.3-64.6-64.417700109.6I345 S823 G824 L826 Q829 W833I345-M831 HydrophobicContact CG2-CE 4.28Å; S823-M831 WeakPolarHBondContact CA-O 3.43Å; G824-M831 PolarHBondContact N-O 3.16Å; G824-M831 VanDerWaalsContact N-O 3.07Å; G824-M831 PolarHBondContact O-N 2.79Å; L826-M831 HydrophobicContact CB-CE 4.47Å; L826-M831 HydrophobicContact CB-CG 3.77Å; L826-M831 HydrophobicContact CD2-CE 4.3Å; L826-M831 HydrophobicContact CD2-CG 4.45Å; Q829-M831 HydrophobicContact CB-CE 4.48Å; Q829-M831 PolarHBondContact O-N 2.92Å; M831-W833 HydrophobicContact CB-CE3 4.41Å; M831-W833 HydrophobicContact CB-CH2 3.4Å; M831-W833 VanDerWaalsContact CB-CH2 3.4Å; M831-W833 HydrophobicContact CB-CZ2 4.05Å; M831-W833 HydrophobicContact CB-CZ3 3.61Å; M831-W833 HydrophobicContact CG-CH2 4.14Å
832K91.1Very high86Confident120 Ų12055.4 Ų55.452%0.52230%0.298SS..EExtended strand (participates in β ladder)trans-139.9134.1176.5174.3159.2171.1154.30110.1E537 V821 V822E537-K832 IonicContact OE2-NZ 3.91Å; E537-K832 PolarHBondContact OE2-NZ 3.03Å; V821-K832 HydrophobicContact CG1-CD 3.78Å; V821-K832 HydrophobicContact CG1-CG 4.01Å; V822-K832 CarbonylContact O-C 3.6Å; V822-K832 VanDerWaalsContact O-CA 3.31Å; V822-K832 WeakPolarHBondContact O-CA 3.49Å
833W92.6Very high85.2Confident55 Ų5556.3 Ų56.321%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-122.6147.6170.8-56.7-99.1000108.8P279 F338 L531 V821 V822 M831P279-W833 HydrophobicContact CG-CB 3.88Å; F338-W833 HydrophobicContact CE1-CD2 4.25Å; F338-W833 HydrophobicContact CE1-CE3 4.04Å; F338-W833 HydrophobicContact CE1-CZ3 4.18Å; F338-W833 HydrophobicContact CE2-CD2 4.3Å; F338-W833 HydrophobicContact CE2-CG 4.31Å; F338-W833 AromaticContact CZ-CD2 3.56Å; F338-W833 HydrophobicContact CZ-CD2 3.56Å; F338-W833 AromaticContact CZ-CE2 3.63Å; F338-W833 AromaticContact CZ-CE3 3.81Å; F338-W833 HydrophobicContact CZ-CE3 3.81Å; F338-W833 HydrophobicContact CZ-CG 4.01Å; F338-W833 HydrophobicContact CZ-CH2 4.17Å; F338-W833 AromaticContact CZ-CZ2 3.95Å; F338-W833 HydrophobicContact CZ-CZ2 3.95Å; F338-W833 HydrophobicContact CZ-CZ3 4.11Å; L531-W833 HydrophobicContact CD1-CH2 4Å; L531-W833 HydrophobicContact CD1-CZ3 4.23Å; L531-W833 HydrophobicContact CD2-CH2 3.86Å; L531-W833 HydrophobicContact CD2-CZ3 3.88Å; V821-W833 WeakPolarHBondContact CA-O 3.44Å; V822-W833 HydrophobicContact CB-CE3 4.26Å; V822-W833 HydrophobicContact CG1-CE3 4.13Å; V822-W833 PolarHBondContact N-O 3.1Å; V822-W833 PolarHBondContact O-N 3.19Å; M831-W833 HydrophobicContact CB-CE3 4.41Å; M831-W833 HydrophobicContact CB-CH2 3.4Å; M831-W833 VanDerWaalsContact CB-CH2 3.4Å; M831-W833 HydrophobicContact CB-CZ2 4.05Å; M831-W833 HydrophobicContact CB-CZ3 3.61Å; M831-W833 HydrophobicContact CG-CH2 4.14Å
834E92.8Very high83.8Confident96 Ų9658.2 Ų58.245%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-133.6132.3-176.3-177177.6135.200109.9K819 V821K819-E834 HydrophobicContact CD-CG 4.46Å; K819-E834 WeakPolarHBondContact CD-OE1 3.41Å; K819-E834 WeakPolarHBondContact CE-OE1 3.44Å; K819-E834 IonicContact NZ-OE1 3.38Å; K819-E834 PolarHBondContact NZ-OE1 2.79Å; V821-E834 HydrophobicContact CG2-CB 4.36Å; V821-E834 HydrophobicContact CG2-CG 4.09Å
835V92Very high82.3Confident25 Ų2558.4 Ų58.415%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-116.6129.5168.7-170.90000108.1P279 V281 L336 K819 A820P279-V835 HydrophobicContact CB-CG2 3.64Å; P279-V835 HydrophobicContact CG-CG2 3.6Å; P279-V835 WeakPolarHBondContact O-CG2 3.41Å; V281-V835 HydrophobicContact CB-CG1 4.14Å; V281-V835 HydrophobicContact CG2-CB 4.02Å; V281-V835 HydrophobicContact CG2-CG1 3.75Å; V281-V835 HydrophobicContact CG2-CG2 4.41Å; L336-V835 HydrophobicContact CD1-CG2 4.26Å; K819-V835 CarbonylContact C-O 3.49Å; K819-V835 VanDerWaalsContact CA-O 3.26Å; K819-V835 WeakPolarHBondContact CA-O 3.47Å; A820-V835 PolarHBondContact N-O 2.6Å; A820-V835 PolarHBondContact O-N 3.24Å
836V91.4Very high81.2Confident75 Ų7560.1 Ų60.146%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-102132.6170.4-1750000107.7G816 K819G816-V836 WeakPolarHBondContact O-CG1 2.98Å; K819-V836 HydrophobicContact CD-CG2 4.19Å; K819-V836 HydrophobicContact CG-CG1 4.44Å; K819-V836 HydrophobicContact CG-CG2 4.15Å
837F90.1Very high79.8Confident21 Ų2167.9 Ų67.99%0.09236%0.358CS..EExtended strand (participates in β ladder)trans-140.5165179.164.9-85.8000111.2V281 V334 W538 F540 C818 A820V281-F837 HydrophobicContact CB-CB 4.48Å; V281-F837 HydrophobicContact CB-CD1 4.31Å; V281-F837 HydrophobicContact CB-CG 4.43Å; V281-F837 HydrophobicContact CG1-CB 4.23Å; V281-F837 HydrophobicContact CG1-CD1 3.97Å; V281-F837 HydrophobicContact CG1-CD2 4.15Å; V281-F837 HydrophobicContact CG1-CE1 4.34Å; V281-F837 HydrophobicContact CG1-CG 3.87Å; V281-F837 HydrophobicContact CG2-CD1 4.1Å; V281-F837 HydrophobicContact CG2-CE1 4.44Å; V334-F837 HydrophobicContact CG1-CE2 3.91Å; V334-F837 HydrophobicContact CG1-CZ 3.93Å; V334-F837 HydrophobicContact CG2-CE2 4.18Å; W538-F837 HydrophobicContact CE3-CE1 4.42Å; W538-F837 HydrophobicContact CE3-CZ 4.32Å; W538-F837 HydrophobicContact CZ3-CE1 4.25Å; W538-F837 HydrophobicContact CZ3-CZ 4.16Å; F540-F837 AromaticContact CE1-CE2 3.99Å; F540-F837 HydrophobicContact CE1-CE2 3.99Å; F540-F837 AromaticContact CE1-CZ 3.75Å; F540-F837 HydrophobicContact CE1-CZ 3.75Å; F540-F837 AromaticContact CZ-CZ 3.94Å; F540-F837 HydrophobicContact CZ-CZ 3.94Å; C818-F837 HydrophobicContact CB-CD1 4.38Å; C818-F837 HydrophobicContact CB-CD2 3.9Å; C818-F837 HydrophobicContact CB-CE1 4.09Å; C818-F837 HydrophobicContact CB-CE2 3.56Å; C818-F837 HydrophobicContact CB-CG 4.29Å; C818-F837 HydrophobicContact CB-CZ 3.66Å; C818-F837 PolarHBondContact N-O 3.31Å; C818-F837 PolarHBondContact O-N 2.85Å; C818-F837 VanDerWaalsContact O-O 3.07Å; A820-F837 HydrophobicContact CB-CE1 4.15Å
838D86.9Confident78.8Confident66 Ų6677.3 Ų77.335%0.35339%0.391SS..  trans-112.1145.1172.6-172.28.4000109.3E840D838-E840 PolarHBondContact OD1-N 2.96Å
839I86.3Confident77.5Confident2 Ų280.4 Ų80.41%0.0140%0.395CS..  trans-125.4-11.8179.6-158.9169.7000112.3V334 F540 V568 C818 P841 F842 L843V334-I839 HydrophobicContact CG2-CD1 3.66Å; F540-I839 HydrophobicContact CE1-CD1 4.2Å; V568-I839 HydrophobicContact CB-CD1 3.78Å; V568-I839 HydrophobicContact CG1-CD1 3.82Å; V568-I839 HydrophobicContact CG2-CD1 3.77Å; C818-I839 VanDerWaalsContact SG-CG2 3.54Å; I839-P841 VanDerWaalsContact C-CD 3.44Å; I839-P841 VanDerWaalsContact C-N 3.32Å; I839-F842 HydrophobicContact CG1-CB 4.45Å; I839-F842 PolarHBondContact O-N 3.43Å; I839-L843 HydrophobicContact CG1-CG 4.47Å; I839-L843 HydrophobicContact CG2-CD1 4.09Å; I839-L843 WeakPolarHBondContact O-CG 3.37Å; I839-L843 PolarHBondContact O-N 2.82Å
840E82.1Confident75.3Confident136 Ų13684 Ų8464%0.63641%0.411SS*.G310 helixtrans-55.1-40178.6-62.4-155.4139.700113.3D838 F842 L843D838-E840 PolarHBondContact OD1-N 2.96Å; E840-F842 PolarHBondContact O-N 3.05Å; E840-F842 VanDerWaalsContact O-N 3.13Å; E840-L843 PolarHBondContact O-N 2.93Å
841P82.5Confident73Confident76 Ų7683.9 Ų83.949%0.49440%0.401SS..G310 helixtrans-64.6-14.1176.3-23.435.1000115.6I839 S844I839-P841 VanDerWaalsContact C-CD 3.44Å; I839-P841 VanDerWaalsContact C-N 3.32Å; P841-S844 PolarHBondContact O-OG 3.31Å
842F78.5Confident70.7Confident63 Ų6383.7 Ų83.728%0.27640%0.403SS..G310 helixtrans-103.8-7.8-176.8-59-94.1000112.5V283 N285 P332 I839 E840V283-F842 HydrophobicContact CB-CD1 3.75Å; V283-F842 HydrophobicContact CB-CD2 4.19Å; V283-F842 HydrophobicContact CB-CE1 3.73Å; V283-F842 HydrophobicContact CB-CE2 4.16Å; V283-F842 HydrophobicContact CB-CG 4.01Å; V283-F842 HydrophobicContact CB-CZ 3.94Å; V283-F842 HydrophobicContact CG1-CB 3.87Å; V283-F842 HydrophobicContact CG1-CD1 3.53Å; V283-F842 HydrophobicContact CG1-CD2 4.03Å; V283-F842 HydrophobicContact CG1-CE1 4.07Å; V283-F842 HydrophobicContact CG1-CG 3.53Å; V283-F842 HydrophobicContact CG2-CD2 4.48Å; V283-F842 HydrophobicContact CG2-CE2 4.35Å; V283-F842 HydrophobicContact CG2-CZ 4.47Å; N285-F842 VanDerWaalsContact OD1-CA 3.24Å; N285-F842 WeakPolarHBondContact OD1-CA 3.17Å; N285-F842 VanDerWaalsContact OD1-CB 3.32Å; N285-F842 WeakPolarHBondContact OD1-CB 3.49Å; N285-F842 WeakPolarHBondContact OD1-CD1 3.14Å; N285-F842 PolarHBondContact OD1-O 3.23Å; P332-F842 HydrophobicContact CB-CB 4.29Å; I839-F842 HydrophobicContact CG1-CB 4.45Å; I839-F842 PolarHBondContact O-N 3.43Å; E840-F842 PolarHBondContact O-N 3.05Å; E840-F842 VanDerWaalsContact O-N 3.13Å
843L74.4Confident68.1Low21 Ų2186.4 Ų86.411%0.1142%0.417CS..THydrogen-bonded Turntrans-92.2-9.4-179.8-67.4170.3000113.7P332 K544 D570 I839 E840 G845P332-L843 HydrophobicContact CG-CD2 3.71Å; K544-L843 HydrophobicContact CD-CD1 4.33Å; D570-L843 HydrophobicContact CB-CD2 4.31Å; I839-L843 HydrophobicContact CG1-CG 4.47Å; I839-L843 HydrophobicContact CG2-CD1 4.09Å; I839-L843 WeakPolarHBondContact O-CG 3.37Å; I839-L843 PolarHBondContact O-N 2.82Å; E840-L843 PolarHBondContact O-N 2.93Å; L843-G845 PolarHBondContact O-N 2.95Å
844S62.8Low65.9Low77 Ų7787 Ų8754%0.53842%0.422SS..THydrogen-bonded Turntrans-73.6-9.6167.552.30000113.4T289 P841T289-S844 WeakPolarHBondContact CG2-O 3.16Å; P841-S844 PolarHBondContact O-OG 3.31Å
845G59.1Low64.1Low11 Ų1186.7 Ų86.711%0.11342%0.421CS..  trans73.8179.8-171.300000113.1L843L843-G845 PolarHBondContact O-N 2.95Å
846R62.8Low62.6Low81 Ų8188.4 Ų88.431%0.30643%0.429SS..  trans-89.7116.9173.3-162.1-174.1-145.8-101.7-6.5109.4N285 R848 E854 N858N285-R846 HydrophobicContact CB-CB 4.35Å; R846-R848 PolarHBondContact O-N 3.43Å; R846-E854 IonicContact CZ-OE2 2.69Å; R846-E854 IonicContact NH1-OE2 3.8Å; R846-E854 IonicContact NH2-OE2 3.8Å; R846-E854 PolarHBondContact NH2-OE2 2.79Å; R846-N858 PolarHBondContact NH2-ND2 3.36Å
847E54Low61.6Low169 Ų16986.4 Ų86.479%0.7941%0.413SS*.  trans-58.2130.7162.2-72-167.8175.200108.7E849E847-E849 PolarHBondContact O-N 3.21Å
848R51.8Low60.9Low213 Ų21387 Ų8780%0.80442%0.417SS*.  trans-77.466-174.9-167.7-174.5-76.2162.91.1111.5R846R846-R848 PolarHBondContact O-N 3.43Å
849E41.7Very low60.8Low104 Ų10487.5 Ų87.549%0.48642%0.418SS..  trans-61.1141.2166.7-79.7-157.9138.600110.9E847 K851E847-E849 PolarHBondContact O-N 3.21Å; E849-K851 PolarHBondContact O-N 3.18Å; E849-K851 VanDerWaalsContact OE2-CE 3.3Å; E849-K851 WeakPolarHBondContact OE2-CE 3.48Å; E849-K851 IonicContact OE2-NZ 2.76Å; E849-K851 PolarHBondContact OE2-NZ 3.27Å
850E34.8Very low61Low187 Ų18787.6 Ų87.687%0.87442%0.418SS*.SBendtrans-7729-170-140166-161.300114.2V852E850-V852 PolarHBondContact O-N 2.79Å; E850-V852 VanDerWaalsContact O-N 3.1Å
851K37.1Very low61.5Low101 Ų10181.1 Ų81.144%0.43939%0.388SS..  trans-86.370-177.2-69.7179.9-175147.30112.4E849 H853 E854E849-K851 PolarHBondContact O-N 3.18Å; E849-K851 VanDerWaalsContact OE2-CE 3.3Å; E849-K851 WeakPolarHBondContact OE2-CE 3.48Å; E849-K851 IonicContact OE2-NZ 2.76Å; E849-K851 PolarHBondContact OE2-NZ 3.27Å; K851-H853 PolarHBondContact O-N 2.95Å; K851-E854 HydrophobicContact CB-CG 4.34Å; K851-E854 WeakPolarHBondContact CD-OE1 3.27Å; K851-E854 PolarHBondContact O-N 2.85Å
852V38.9Very low62Low59 Ų5977.7 Ų77.736%0.35837%0.365SS..THydrogen-bonded Turntrans-49.3-28.9-176-176.30000114.7E850E850-V852 PolarHBondContact O-N 2.79Å; E850-V852 VanDerWaalsContact O-N 3.1Å
853H37.1Very low62.7Low176 Ų17675.2 Ų75.282%0.81535%0.354SS*.THydrogen-bonded Turntrans-80.9-14.4179.5-82.133000115.2K851K851-H853 PolarHBondContact O-N 2.95Å
854E46.8Very low63.6Low68 Ų6874.4 Ų74.432%0.31835%0.35SS..THydrogen-bonded Turntrans-80.2-21.3174.3-72.2-179.9-174.800112.5R846 K851 N858R846-E854 IonicContact CZ-OE2 2.69Å; R846-E854 IonicContact NH1-OE2 3.8Å; R846-E854 IonicContact NH2-OE2 3.8Å; R846-E854 PolarHBondContact NH2-OE2 2.79Å; K851-E854 HydrophobicContact CB-CG 4.34Å; K851-E854 WeakPolarHBondContact CD-OE1 3.27Å; K851-E854 PolarHBondContact O-N 2.85Å; E854-N858 VanDerWaalsContact O-CG 3.22Å; E854-N858 PolarHBondContact O-ND2 2.83Å; E854-N858 PolarHBondContact O-OD1 2.96Å
855E54.8Low65.1Low90 Ų9070.8 Ų70.842%0.42133%0.325SS..G310 helixtrans-72.4-36.8-158.9-59.2-173130.600114.4W857 N858E855-W857 PolarHBondContact O-N 3.23Å; E855-N858 PolarHBondContact O-N 3.12Å
856L60.3Low66.8Low61 Ų6170.2 Ų70.232%0.31932%0.319SS..G310 helixtrans-61-19.2-168.9-74.195.6000116R688R688-L856 HydrophobicContact CB-CD2 4.14Å; R688-L856 PolarHBondContact NH1-O 3.07Å; R688-L856 PolarHBondContact NH2-O 3.27Å
857W70Confident68.2Low33 Ų3367.2 Ų67.213%0.12531%0.311CS..G310 helixtrans-120.54-173.5-54.2-36.6000113.8C23 R25 A30 E222 E855 E859 T860C23-W857 HydrophobicContact CB-CB 4.29Å; C23-W857 HydrophobicContact CB-CD2 3.41Å; C23-W857 VanDerWaalsContact CB-CD2 3.41Å; C23-W857 HydrophobicContact CB-CE3 3.33Å; C23-W857 HydrophobicContact CB-CG 3.86Å; C23-W857 HydrophobicContact CB-CH2 4.18Å; C23-W857 HydrophobicContact CB-CZ2 4.26Å; C23-W857 HydrophobicContact CB-CZ3 3.74Å; R25-W857 PolarHBondContact NH1-O 3.1Å; R25-W857 VanDerWaalsContact NH1-O 3.09Å; A30-W857 HydrophobicContact CB-CB 4.29Å; A30-W857 HydrophobicContact CB-CG 4.06Å; E222-W857 HydrophobicContact CB-CZ3 4.26Å; E222-W857 WeakPolarHBondContact OE2-CZ3 3.3Å; E855-W857 PolarHBondContact O-N 3.23Å; W857-E859 VanDerWaalsContact C-N 3.27Å; W857-E859 PolarHBondContact O-N 3.48Å; W857-T860 PolarHBondContact O-OG1 3.47Å
858N75.8Confident70.1Confident34 Ų3459.9 Ų59.918%0.18228%0.278CS..THydrogen-bonded Turntrans-86.98.8-178.4-69.6-18000113.9E284 R846 E854 E855E284-N858 VanDerWaalsContact CD-C 3.41Å; E284-N858 WeakPolarHBondContact CG-O 3.33Å; R846-N858 PolarHBondContact NH2-ND2 3.36Å; E854-N858 VanDerWaalsContact O-CG 3.22Å; E854-N858 PolarHBondContact O-ND2 2.83Å; E854-N858 PolarHBondContact O-OD1 2.96Å; E855-N858 PolarHBondContact O-N 3.12Å
859E85.3Confident72.2Confident76 Ų7649.9 Ų49.936%0.35524%0.241SC..THydrogen-bonded Turntrans-118.610.2176.3-56.4171.7155.100111.5E284 W857 F861 H862 H863E284-E859 VanDerWaalsContact OE1-CA 3.29Å; E284-E859 WeakPolarHBondContact OE1-CA 3.17Å; W857-E859 VanDerWaalsContact C-N 3.27Å; W857-E859 PolarHBondContact O-N 3.48Å; E859-F861 PolarHBondContact O-N 2.94Å; E859-H862 PolarHBondContact O-N 3.48Å; E859-H863 PolarHBondContact O-N 3.32Å; E859-H863 PolarHBondContact O-ND1 2.94Å; E859-H863 IonicContact OE2-CE1 3.16Å; E859-H863 PolarHBondContact OE2-CE1 2.85Å
860T90.4Very high74.6Confident4 Ų445 Ų453%0.02522%0.218CC..Hα-helixtrans-66.2-39.6-169-54.40000111.7A30 E284 W857 L864A30-T860 HydrophobicContact CB-CG2 4.11Å; E284-T860 PolarHBondContact OE1-N 2.83Å; E284-T860 VanDerWaalsContact OE1-N 3.14Å; E284-T860 PolarHBondContact OE2-N 3.4Å; W857-T860 PolarHBondContact O-OG1 3.47Å; T860-L864 HydrophobicContact CG2-CD1 4.34Å; T860-L864 WeakPolarHBondContact O-CG 3.49Å; T860-L864 PolarHBondContact O-N 3.03Å
861F92.9Very high77.2Confident0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-74.4-35.2177.3-52.2-12000110.6R25 T28 L282 E284 V333 M335 E859 H863 L864 A865R25-F861 HydrophobicContact CB-CE1 3.82Å; R25-F861 HydrophobicContact CB-CZ 3.99Å; R25-F861 VanDerWaalsContact NH2-CE2 3.34Å; R25-F861 VanDerWaalsContact NH2-CZ 3.32Å; T28-F861 WeakPolarHBondContact OG1-CE1 3.36Å; L282-F861 HydrophobicContact CB-CE2 3.68Å; L282-F861 HydrophobicContact CB-CZ 3.94Å; L282-F861 HydrophobicContact CD1-CZ 4.25Å; L282-F861 HydrophobicContact CG-CZ 4.5Å; E284-F861 HydrophobicContact CB-CB 4.15Å; E284-F861 HydrophobicContact CB-CD2 3.47Å; E284-F861 VanDerWaalsContact CB-CD2 3.47Å; E284-F861 HydrophobicContact CB-CE2 4.07Å; E284-F861 HydrophobicContact CB-CG 4.08Å; E284-F861 HydrophobicContact CG-CD2 4.39Å; E284-F861 WeakPolarHBondContact OE1-CA 3.23Å; E284-F861 WeakPolarHBondContact OE1-CB 3.33Å; E284-F861 PolarHBondContact OE1-N 3.05Å; E284-F861 PolarHBondContact OE2-N 3.27Å; V333-F861 HydrophobicContact CB-CB 4.46Å; V333-F861 HydrophobicContact CG1-CB 3.95Å; M335-F861 HydrophobicContact CB-CD2 4.2Å; M335-F861 HydrophobicContact CB-CG 4.39Å; M335-F861 HydrophobicContact CE-CD1 3.62Å; M335-F861 HydrophobicContact CE-CD2 4.23Å; M335-F861 HydrophobicContact CE-CE1 3.31Å; M335-F861 HydrophobicContact CE-CE2 3.99Å; M335-F861 HydrophobicContact CE-CG 4.1Å; M335-F861 HydrophobicContact CE-CZ 3.53Å; M335-F861 HydrophobicContact SD-CD1 4.04Å; M335-F861 HydrophobicContact SD-CE1 4.32Å; M335-F861 HydrophobicContact SD-CG 4.36Å; E859-F861 PolarHBondContact O-N 2.94Å; F861-H863 VanDerWaalsContact C-N 3.35Å; F861-H863 PolarHBondContact O-N 2.96Å; F861-L864 PolarHBondContact O-N 2.57Å; F861-A865 WeakPolarHBondContact O-CB 3.49Å; F861-A865 PolarHBondContact O-N 3.03Å
862H92.8Very high79.8Confident4 Ų434.7 Ų34.72%0.01917%0.171CC..Hα-helixtrans-59.9-43.3174.7-6683.2000112.5E284 N285 I328 L329 N331 V333 E859 G866E284-H862 IonicContact OE1-CE1 2.74Å; E284-H862 IonicContact OE1-CG 3.89Å; E284-H862 PolarHBondContact OE1-N 2.96Å; E284-H862 IonicContact OE1-ND1 2.76Å; E284-H862 PolarHBondContact OE1-ND1 2.96Å; N285-H862 PolarHBondContact O-CE1 3.25Å; I328-H862 PolarHBondContact O-CD2 2.69Å; I328-H862 VanDerWaalsContact O-CD2 3.27Å; L329-H862 HydrophobicContact CD2-CB 3.93Å; N331-H862 PolarHBondContact O-NE2 2.61Å; V333-H862 HydrophobicContact CG2-CB 4.48Å; V333-H862 WeakPolarHBondContact CG2-CD2 3.46Å; E859-H862 PolarHBondContact O-N 3.48Å; H862-G866 PolarHBondContact O-N 3.39Å
863H92.4Very high82.3Confident10 Ų1032.7 Ų32.75%0.04616%0.157CC..Hα-helixtrans-67.3-45.2177.4-70.798.4000111.7I58 V60 E859 F861 G866 S867 C902 I904I58-H863 HydrophobicContact CD1-CB 3.77Å; I58-H863 WeakPolarHBondContact CD1-O 3.25Å; V60-H863 HydrophobicContact CG2-CB 4.01Å; E859-H863 PolarHBondContact O-N 3.32Å; E859-H863 PolarHBondContact O-ND1 2.94Å; E859-H863 IonicContact OE2-CE1 3.16Å; E859-H863 PolarHBondContact OE2-CE1 2.85Å; F861-H863 VanDerWaalsContact C-N 3.35Å; F861-H863 PolarHBondContact O-N 2.96Å; H863-G866 PolarHBondContact O-N 2.94Å; H863-S867 PolarHBondContact O-N 3.04Å; H863-C902 PolarHBondContact CD2-O 3.31Å; H863-I904 WeakPolarHBondContact O-CD1 3.34Å
864L94.4Very high84.9Confident5 Ų524.5 Ų24.53%0.02612%0.12CC..Hα-helixtrans-69.9-38.1179.4-65.3170000112.7T28 I58 E141 Y565 T860 F861 G866 S867 S868T28-L864 HydrophobicContact CG2-CD1 3.45Å; T28-L864 VanDerWaalsContact CG2-CD1 3.45Å; I58-L864 HydrophobicContact CD1-CD2 3.97Å; I58-L864 HydrophobicContact CG1-CD2 4.06Å; E141-L864 HydrophobicContact CG-CD2 4.49Å; Y565-L864 HydrophobicContact CE1-CB 4.14Å; Y565-L864 HydrophobicContact CE2-CB 4.39Å; Y565-L864 VanDerWaalsContact OH-CB 3.29Å; Y565-L864 WeakPolarHBondContact OH-CB 3.4Å; T860-L864 HydrophobicContact CG2-CD1 4.34Å; T860-L864 WeakPolarHBondContact O-CG 3.49Å; T860-L864 PolarHBondContact O-N 3.03Å; F861-L864 PolarHBondContact O-N 2.57Å; L864-G866 PolarHBondContact O-N 3.11Å; L864-S867 WeakPolarHBondContact O-CB 3.42Å; L864-S867 PolarHBondContact O-N 3.11Å; L864-S868 PolarHBondContact O-N 2.97Å
865A94.7Very high86.8Confident0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-60.4-44.7171.400000111.9V333 Y565 F861 S867 S868 I869V333-A865 HydrophobicContact CG1-CB 3.78Å; Y565-A865 HydrophobicContact CD1-CB 3.72Å; Y565-A865 HydrophobicContact CE1-CB 4.48Å; Y565-A865 HydrophobicContact CG-CB 3.75Å; F861-A865 WeakPolarHBondContact O-CB 3.49Å; F861-A865 PolarHBondContact O-N 3.03Å; A865-S867 VanDerWaalsContact C-N 3.27Å; A865-S867 PolarHBondContact O-N 3.27Å; A865-S868 PolarHBondContact O-N 3.3Å; A865-I869 WeakPolarHBondContact O-CB 3.33Å; A865-I869 WeakPolarHBondContact O-CD1 3.22Å; A865-I869 VanDerWaalsContact O-CG1 3.25Å; A865-I869 WeakPolarHBondContact O-CG1 3.4Å; A865-I869 PolarHBondContact O-N 2.85Å
866G94Very high88.3Confident0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-58.2-38.9174.600000112.7H862 H863 L864 I870H862-G866 PolarHBondContact O-N 3.39Å; H863-G866 PolarHBondContact O-N 2.94Å; L864-G866 PolarHBondContact O-N 3.11Å; G866-I870 WeakPolarHBondContact O-CB 3.49Å; G866-I870 WeakPolarHBondContact O-CD1 3.22Å; G866-I870 VanDerWaalsContact O-CG1 3.23Å; G866-I870 WeakPolarHBondContact O-CG1 3.38Å; G866-I870 PolarHBondContact O-N 2.86Å
867S93.2Very high89.5Confident18 Ų1818.8 Ų18.813%0.1269%0.092CC..Hα-helixtrans-66.7-46.7175.8-170.20000112.2H863 L864 A865 I869 I870 H871H863-S867 PolarHBondContact O-N 3.04Å; L864-S867 WeakPolarHBondContact O-CB 3.42Å; L864-S867 PolarHBondContact O-N 3.11Å; A865-S867 VanDerWaalsContact C-N 3.27Å; A865-S867 PolarHBondContact O-N 3.27Å; S867-I869 PolarHBondContact O-N 3.1Å; S867-I870 WeakPolarHBondContact O-CB 3.49Å; S867-I870 PolarHBondContact O-N 3Å; S867-H871 PolarHBondContact O-CD2 2.95Å; S867-H871 PolarHBondContact O-N 3.5Å
868S93.5Very high90.1Very high14 Ų1419.8 Ų19.810%0.09810%0.1CC..Hα-helixtrans-63.7-40.6179-146.90000111.9S549 L864 A865 H871 D872S549-S868 VanDerWaalsContact OG-CB 3.3Å; S549-S868 WeakPolarHBondContact OG-CB 3.49Å; S549-S868 PolarHBondContact OG-O 3.18Å; S549-S868 PolarHBondContact OG-OG 3.29Å; L864-S868 PolarHBondContact O-N 2.97Å; A865-S868 PolarHBondContact O-N 3.3Å; S868-H871 PolarHBondContact O-N 3.02Å; S868-D872 PolarHBondContact O-N 3.43Å
869I94.2Very high90.2Very high4 Ų424.2 Ų24.22%0.02112%0.117CC..Hα-helixtrans-64.3-40173.7-71163.7000111.8I328 L547 S549 V567 A865 S867 D872 F873 T898I328-I869 HydrophobicContact CD1-CD1 3.75Å; L547-I869 HydrophobicContact CD2-CD1 3.79Å; L547-I869 HydrophobicContact CD2-CG1 4.44Å; L547-I869 HydrophobicContact CD2-CG2 4.18Å; L547-I869 HydrophobicContact CG-CD1 3.93Å; L547-I869 HydrophobicContact CG-CG1 4.39Å; S549-I869 PolarHBondContact OG-N 3.2Å; V567-I869 HydrophobicContact CG2-CD1 3.8Å; A865-I869 WeakPolarHBondContact O-CB 3.33Å; A865-I869 WeakPolarHBondContact O-CD1 3.22Å; A865-I869 VanDerWaalsContact O-CG1 3.25Å; A865-I869 WeakPolarHBondContact O-CG1 3.4Å; A865-I869 PolarHBondContact O-N 2.85Å; S867-I869 PolarHBondContact O-N 3.1Å; I869-D872 PolarHBondContact O-N 3.04Å; I869-F873 HydrophobicContact CG2-CD2 3.9Å; I869-F873 HydrophobicContact CG2-CE2 3.41Å; I869-F873 VanDerWaalsContact CG2-CE2 3.41Å; I869-F873 HydrophobicContact CG2-CZ 3.85Å; I869-F873 WeakPolarHBondContact O-CD2 3.38Å; I869-F873 WeakPolarHBondContact O-CG 3.17Å; I869-F873 PolarHBondContact O-N 3.25Å; I869-T898 HydrophobicContact CG2-CG2 4.24Å
870I93.1Very high89.8Confident2 Ų222.9 Ų22.91%0.0111%0.111CC..Hα-helixtrans-59.2-48172.1-78.6161.6000110.3G866 S867 D872 F873 E874 V895 T898 I904G866-I870 WeakPolarHBondContact O-CB 3.49Å; G866-I870 WeakPolarHBondContact O-CD1 3.22Å; G866-I870 VanDerWaalsContact O-CG1 3.23Å; G866-I870 WeakPolarHBondContact O-CG1 3.38Å; G866-I870 PolarHBondContact O-N 2.86Å; S867-I870 WeakPolarHBondContact O-CB 3.49Å; S867-I870 PolarHBondContact O-N 3Å; I870-D872 PolarHBondContact O-N 2.78Å; I870-F873 PolarHBondContact O-N 3.01Å; I870-E874 HydrophobicContact CG2-CG 4.38Å; I870-E874 WeakPolarHBondContact O-CG 3.38Å; I870-E874 PolarHBondContact O-N 2.65Å; I870-V895 HydrophobicContact CG2-CG1 4.08Å; I870-T898 HydrophobicContact CD1-CG2 4.13Å; I870-T898 HydrophobicContact CG1-CG2 3.79Å; I870-I904 HydrophobicContact CD1-CB 3.95Å; I870-I904 HydrophobicContact CD1-CD1 4.48Å; I870-I904 HydrophobicContact CD1-CG2 4.17Å
871H90.2Very high88.5Confident66 Ų6625.6 Ų25.631%0.30613%0.13SC..Hα-helixtrans-61.9-39.6178.3-88-73.5000113.1R116 S867 S868 E874 H875R116-H871 PolarHBondContact NH1-CE1 3.18Å; S867-H871 PolarHBondContact O-CD2 2.95Å; S867-H871 PolarHBondContact O-N 3.5Å; S868-H871 PolarHBondContact O-N 3.02Å; H871-E874 IonicContact ND1-OE2 2.72Å; H871-E874 PolarHBondContact O-N 3.24Å; H871-H875 WeakPolarHBondContact O-CB 3.47Å; H871-H875 PolarHBondContact O-N 3.26Å
872D91.3Very high87Confident5 Ų531.8 Ų31.83%0.02716%0.159CC..Hα-helixtrans-65.9-40.9175.3-73.7-27.5000112.4R477 S549 P550 V551 S868 I869 I870 M876R477-D872 IonicContact CZ-OD1 2.74Å; R477-D872 VanDerWaalsContact CZ-OD1 3.24Å; R477-D872 IonicContact NH1-OD1 3.91Å; R477-D872 PolarHBondContact NH1-OD1 2.93Å; R477-D872 IonicContact NH2-OD1 3.2Å; R477-D872 PolarHBondContact NH2-OD1 2.71Å; S549-D872 VanDerWaalsContact CB-OD2 3.32Å; S549-D872 WeakPolarHBondContact CB-OD2 3.34Å; S549-D872 PolarHBondContact OG-OD2 3.24Å; P550-D872 VanDerWaalsContact CA-OD2 3.32Å; P550-D872 WeakPolarHBondContact CA-OD2 3.16Å; V551-D872 HydrophobicContact CB-CB 4.44Å; V551-D872 HydrophobicContact CG2-CB 4.3Å; V551-D872 VanDerWaalsContact N-CG 3.33Å; V551-D872 PolarHBondContact N-OD1 2.82Å; V551-D872 PolarHBondContact N-OD2 3.05Å; S868-D872 PolarHBondContact O-N 3.43Å; I869-D872 PolarHBondContact O-N 3.04Å; I870-D872 PolarHBondContact O-N 2.78Å; D872-M876 HydrophobicContact CB-CE 4.27Å; D872-M876 WeakPolarHBondContact O-CB 3.45Å; D872-M876 VanDerWaalsContact O-CE 3.31Å; D872-M876 WeakPolarHBondContact O-CE 3.26Å; D872-M876 WeakPolarHBondContact O-CG 3.48Å; D872-M876 PolarHBondContact O-N 3.24Å
873F91.9Very high85.4Confident16 Ų1637.7 Ų37.77%0.0719%0.19CC..Hα-helixtrans-68.9-34.1173.9-66.5-33000112.9H325 I869 I870 M876 A877 Y891 Y894 V895H325-F873 HydrophobicContact CB-CE2 3.72Å; H325-F873 HydrophobicContact CB-CZ 3.83Å; I869-F873 HydrophobicContact CG2-CD2 3.9Å; I869-F873 HydrophobicContact CG2-CE2 3.41Å; I869-F873 VanDerWaalsContact CG2-CE2 3.41Å; I869-F873 HydrophobicContact CG2-CZ 3.85Å; I869-F873 WeakPolarHBondContact O-CD2 3.38Å; I869-F873 WeakPolarHBondContact O-CG 3.17Å; I869-F873 PolarHBondContact O-N 3.25Å; I870-F873 PolarHBondContact O-N 3.01Å; F873-M876 HydrophobicContact CD1-CE 3.8Å; F873-M876 HydrophobicContact CE1-CE 4.38Å; F873-A877 VanDerWaalsContact O-CB 3.25Å; F873-A877 WeakPolarHBondContact O-CB 3.27Å; F873-A877 PolarHBondContact O-N 3.33Å; F873-Y891 HydrophobicContact CB-CD1 4.45Å; F873-Y891 AromaticContact CD1-CD1 3.77Å; F873-Y891 HydrophobicContact CD1-CD1 3.77Å; F873-Y891 HydrophobicContact CD1-CE1 4.14Å; F873-Y891 HydrophobicContact CE1-CD1 4.49Å; F873-Y891 HydrophobicContact CG-CD1 4.42Å; F873-Y894 HydrophobicContact CD1-CD2 4.39Å; F873-Y894 AromaticContact CE1-CD2 3.99Å; F873-Y894 HydrophobicContact CE1-CD2 3.99Å; F873-Y894 HydrophobicContact CE2-CD2 4.46Å; F873-Y894 HydrophobicContact CZ-CD2 4.03Å; F873-V895 HydrophobicContact CB-CG2 3.47Å; F873-V895 VanDerWaalsContact CB-CG2 3.47Å
874E90.2Very high83.7Confident5 Ų543 Ų432%0.02322%0.215CC..Hα-helixtrans-65.4-46.4173.6-75.3179.1175.300111.5R116 I870 H871 M876 A877 D878 V895 S906 K907 Y908R116-E874 IonicContact CZ-OE2 2.72Å; R116-E874 IonicContact NH1-OE1 3.68Å; R116-E874 PolarHBondContact NH1-OE1 3.31Å; R116-E874 IonicContact NH1-OE2 3.62Å; R116-E874 PolarHBondContact NH1-OE2 3.26Å; R116-E874 IonicContact NH2-OE2 3.47Å; R116-E874 PolarHBondContact NH2-OE2 3.05Å; I870-E874 HydrophobicContact CG2-CG 4.38Å; I870-E874 WeakPolarHBondContact O-CG 3.38Å; I870-E874 PolarHBondContact O-N 2.65Å; H871-E874 IonicContact ND1-OE2 2.72Å; H871-E874 PolarHBondContact O-N 3.24Å; E874-M876 PolarHBondContact O-N 3.19Å; E874-A877 WeakPolarHBondContact O-CB 3.26Å; E874-A877 PolarHBondContact O-N 2.96Å; E874-D878 PolarHBondContact O-N 3.42Å; E874-V895 HydrophobicContact CG-CG1 4.11Å; E874-V895 HydrophobicContact CG-CG2 3.72Å; E874-S906 WeakPolarHBondContact OE1-CA 3.08Å; E874-S906 WeakPolarHBondContact OE1-CB 3.34Å; E874-K907 HydrophobicContact CG-CB 4.29Å; E874-K907 WeakPolarHBondContact OE1-CB 3.47Å; E874-K907 PolarHBondContact OE1-N 3.41Å; E874-Y908 HydrophobicContact CG-CE2 4.2Å
875H86.3Confident81.7Confident51 Ų5152.1 Ų52.124%0.23626%0.257CS..Hα-helixtrans-61.8-41.4175.4169.2-110.7000111.9Y478 H871 K879Y478-H875 PolarHBondContact OH-NE2 3.5Å; H871-H875 WeakPolarHBondContact O-CB 3.47Å; H871-H875 PolarHBondContact O-N 3.26Å; H875-K879 VanDerWaalsContact O-CB 3.23Å; H875-K879 WeakPolarHBondContact O-CB 3.38Å; H875-K879 PolarHBondContact O-N 2.81Å
876M86.8Confident79.8Confident47 Ų4754.7 Ų54.723%0.23228%0.283CS..Hα-helixtrans-64.8-40.6172.3-77.9-175.9-84.600112.6D872 F873 E874 K879 E880 Y891D872-M876 HydrophobicContact CB-CE 4.27Å; D872-M876 WeakPolarHBondContact O-CB 3.45Å; D872-M876 VanDerWaalsContact O-CE 3.31Å; D872-M876 WeakPolarHBondContact O-CE 3.26Å; D872-M876 WeakPolarHBondContact O-CG 3.48Å; D872-M876 PolarHBondContact O-N 3.24Å; F873-M876 HydrophobicContact CD1-CE 3.8Å; F873-M876 HydrophobicContact CE1-CE 4.38Å; E874-M876 PolarHBondContact O-N 3.19Å; M876-K879 PolarHBondContact O-N 3.1Å; M876-E880 WeakPolarHBondContact O-CB 3.2Å; M876-E880 WeakPolarHBondContact O-CG 3.47Å; M876-E880 PolarHBondContact O-N 2.77Å; M876-Y891 HydrophobicContact CB-CD1 3.84Å; M876-Y891 HydrophobicContact CB-CE1 4.1Å; M876-Y891 HydrophobicContact CB-CG 4.06Å; M876-Y891 HydrophobicContact CE-CD1 4.31Å; M876-Y891 HydrophobicContact CE-CE1 3.98Å; M876-Y891 HydrophobicContact CG-CE1 4.5Å; M876-Y891 HydrophobicContact SD-CD1 4.22Å; M876-Y891 HydrophobicContact SD-CE1 3.6Å; M876-Y891 VanDerWaalsContact SD-CE1 3.6Å
877A87.1Confident78.3Confident0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-62-43.9177.100000112.3F873 E874 S881 Q892F873-A877 VanDerWaalsContact O-CB 3.25Å; F873-A877 WeakPolarHBondContact O-CB 3.27Å; F873-A877 PolarHBondContact O-N 3.33Å; E874-A877 WeakPolarHBondContact O-CB 3.26Å; E874-A877 PolarHBondContact O-N 2.96Å; A877-S881 VanDerWaalsContact O-CB 3.27Å; A877-S881 WeakPolarHBondContact O-CB 3.44Å; A877-S881 PolarHBondContact O-N 3.44Å; A877-S881 VanDerWaalsContact O-N 3.12Å; A877-S881 PolarHBondContact O-OG 3.29Å; A877-Q892 HydrophobicContact CB-CG 3.95Å
878D82.3Confident77.4Confident55 Ų5555.1 Ų55.129%0.29429%0.287SS..Hα-helixtrans-66.7-47.7176.6-72.5-23.5000111E874 S881 E882 K907E874-D878 PolarHBondContact O-N 3.42Å; D878-S881 PolarHBondContact O-N 2.7Å; D878-E882 PolarHBondContact O-N 2.57Å; D878-K907 IonicContact OD1-NZ 2.67Å; D878-K907 PolarHBondContact OD1-NZ 2.87Å; D878-K907 IonicContact OD2-NZ 3.87Å; D878-K907 PolarHBondContact OD2-NZ 2.87Å
879K77.4Confident76.9Confident126 Ų12662.9 Ų62.955%0.54831%0.314SS..Hα-helixtrans-60.2-47.4179.3-178.1179.4178.4-1790112.9H875 M876 S881 E882H875-K879 VanDerWaalsContact O-CB 3.23Å; H875-K879 WeakPolarHBondContact O-CB 3.38Å; H875-K879 PolarHBondContact O-N 2.81Å; M876-K879 PolarHBondContact O-N 3.1Å; K879-S881 VanDerWaalsContact C-N 3.32Å; K879-S881 PolarHBondContact O-N 2.76Å; K879-E882 PolarHBondContact O-N 3.27Å
880E77.1Confident76.6Confident49 Ų4967.2 Ų67.223%0.22933%0.332CS..Hα-helixtrans-68-32.5177.8-73.8-173.5166.700112M876 E882 I883 E884 S887 G888 Y891M876-E880 WeakPolarHBondContact O-CB 3.2Å; M876-E880 WeakPolarHBondContact O-CG 3.47Å; M876-E880 PolarHBondContact O-N 2.77Å; E880-E882 PolarHBondContact O-N 3.27Å; E880-I883 PolarHBondContact O-N 3.24Å; E880-E884 PolarHBondContact O-N 2.62Å; E880-S887 VanDerWaalsContact OE2-CB 3.25Å; E880-S887 WeakPolarHBondContact OE2-CB 3.38Å; E880-G888 PolarHBondContact OE2-N 3.35Å; E880-Y891 VanDerWaalsContact CD-CE2 3.49Å; E880-Y891 VanDerWaalsContact OE1-CE2 3.31Å; E880-Y891 WeakPolarHBondContact OE1-CE2 3.43Å; E880-Y891 WeakPolarHBondContact OE2-CD2 3.4Å; E880-Y891 WeakPolarHBondContact OE2-CE2 3.48Å
881S63.2Low76.4Confident61 Ų6168.7 Ų68.743%0.42734%0.338SS..Hα-helixtrans-65.6-18.9177.7-630000113.8A877 D878 K879A877-S881 VanDerWaalsContact O-CB 3.27Å; A877-S881 WeakPolarHBondContact O-CB 3.44Å; A877-S881 PolarHBondContact O-N 3.44Å; A877-S881 VanDerWaalsContact O-N 3.12Å; A877-S881 PolarHBondContact O-OG 3.29Å; D878-S881 PolarHBondContact O-N 2.7Å; K879-S881 VanDerWaalsContact C-N 3.32Å; K879-S881 PolarHBondContact O-N 2.76Å
882E61Low76.4Confident129 Ų12968.3 Ų68.360%0.60334%0.337SS*.THydrogen-bonded Turntrans-80.4-20.3170.8-54-144.1137.700113.3R443 D878 K879 E880R443-E882 IonicContact CZ-OE1 3.77Å; R443-E882 IonicContact CZ-OE2 3.83Å; R443-E882 IonicContact NE-OE1 3.79Å; R443-E882 IonicContact NE-OE2 3.15Å; R443-E882 PolarHBondContact NE-OE2 2.78Å; R443-E882 IonicContact NH2-OE1 2.7Å; R443-E882 PolarHBondContact NH2-OE1 2.77Å; R443-E882 IonicContact NH2-OE2 3.83Å; R443-E882 PolarHBondContact NH2-OE2 3.34Å; D878-E882 PolarHBondContact O-N 2.57Å; K879-E882 PolarHBondContact O-N 3.27Å; E880-E882 PolarHBondContact O-N 3.27Å
883I60.2Low76.3Confident129 Ų12971.6 Ų71.666%0.66236%0.357SS*.THydrogen-bonded Turntrans-107.7-46.1-169.1-54.4171.8000111.3E880E880-I883 PolarHBondContact O-N 3.24Å
884E55Low76.3Confident122 Ų12273.3 Ų73.357%0.5736%0.363SS*.  trans-140.4131.9-176.4-76.4-176.1167.500112.3E880 G886 S887E880-E884 PolarHBondContact O-N 2.62Å; E884-G886 PolarHBondContact O-N 3.09Å; E884-S887 WeakPolarHBondContact CB-OG 3.5Å; E884-S887 PolarHBondContact OE2-OG 3.03Å
885Q52.3Low76.4Confident195 Ų19573 Ų7391%0.91136%0.362SS*.THydrogen-bonded Turntrans-72.70.8-175.8-65.5-173.6-6.600115.2
886G55.8Low76.7Confident54 Ų5473 Ų7356%0.55736%0.363SS*.THydrogen-bonded Turntrans-111.3-43.8-175.800000114.8E884E884-G886 PolarHBondContact O-N 3.09Å
887S61.4Low76.9Confident27 Ų2774.4 Ų74.419%0.18937%0.369CS..THydrogen-bonded Turntrans-73.3-46.8-166.239.50000112.7E880 E884 R889 K890E880-S887 VanDerWaalsContact OE2-CB 3.25Å; E880-S887 WeakPolarHBondContact OE2-CB 3.38Å; E884-S887 WeakPolarHBondContact CB-OG 3.5Å; E884-S887 PolarHBondContact OE2-OG 3.03Å; S887-R889 PolarHBondContact O-N 3Å; S887-K890 WeakPolarHBondContact O-CB 3.45Å; S887-K890 PolarHBondContact O-N 2.86Å
888G75.9Confident77.2Confident1 Ų174.4 Ų74.41%0.0137%0.369CS..Hα-helixtrans-54.8-28.2179.800000115E880 K890 Y891 Q892E880-G888 PolarHBondContact OE2-N 3.35Å; G888-K890 VanDerWaalsContact C-N 3.28Å; G888-K890 PolarHBondContact O-N 3.05Å; G888-Y891 PolarHBondContact O-N 3.34Å; G888-Q892 WeakPolarHBondContact O-CG 3.34Å; G888-Q892 PolarHBondContact O-N 2.89Å; G888-Q892 VanDerWaalsContact O-N 3.07Å
889R82.4Confident77.7Confident176 Ų17671.8 Ų71.866%0.66436%0.355SS*.Hα-helixtrans-62.8-29.5174.4-67-175.2177.8-156.4-1.7113.7S887 V893S887-R889 PolarHBondContact O-N 3Å; R889-V893 WeakPolarHBondContact O-CG2 3.5Å; R889-V893 PolarHBondContact O-N 3.45Å; R889-V893 VanDerWaalsContact O-N 3.12Å
890K87.1Confident78.3Confident95 Ų9570.3 Ų70.341%0.41335%0.348SS..Hα-helixtrans-61.4-46.4174.1174.6-167.4159.4-149.10110.1S887 G888 V893 Y894S887-K890 WeakPolarHBondContact O-CB 3.45Å; S887-K890 PolarHBondContact O-N 2.86Å; G888-K890 VanDerWaalsContact C-N 3.28Å; G888-K890 PolarHBondContact O-N 3.05Å; K890-V893 PolarHBondContact O-N 2.75Å; K890-Y894 WeakPolarHBondContact CE-OH 3.19Å; K890-Y894 HydrophobicContact CG-CE1 4.08Å; K890-Y894 VanDerWaalsContact O-CD1 3.29Å; K890-Y894 WeakPolarHBondContact O-CD1 3.25Å; K890-Y894 PolarHBondContact O-N 3.44Å
891Y89.6Confident78.8Confident34 Ų3469.3 Ų69.313%0.13335%0.348CS..Hα-helixtrans-71.3-37.2-179.9-69.7-86.6000112.1F873 M876 E880 G888 V893 Y894 V895F873-Y891 HydrophobicContact CB-CD1 4.45Å; F873-Y891 AromaticContact CD1-CD1 3.77Å; F873-Y891 HydrophobicContact CD1-CD1 3.77Å; F873-Y891 HydrophobicContact CD1-CE1 4.14Å; F873-Y891 HydrophobicContact CE1-CD1 4.49Å; F873-Y891 HydrophobicContact CG-CD1 4.42Å; M876-Y891 HydrophobicContact CB-CD1 3.84Å; M876-Y891 HydrophobicContact CB-CE1 4.1Å; M876-Y891 HydrophobicContact CB-CG 4.06Å; M876-Y891 HydrophobicContact CE-CD1 4.31Å; M876-Y891 HydrophobicContact CE-CE1 3.98Å; M876-Y891 HydrophobicContact CG-CE1 4.5Å; M876-Y891 HydrophobicContact SD-CD1 4.22Å; M876-Y891 HydrophobicContact SD-CE1 3.6Å; M876-Y891 VanDerWaalsContact SD-CE1 3.6Å; E880-Y891 VanDerWaalsContact CD-CE2 3.49Å; E880-Y891 VanDerWaalsContact OE1-CE2 3.31Å; E880-Y891 WeakPolarHBondContact OE1-CE2 3.43Å; E880-Y891 WeakPolarHBondContact OE2-CD2 3.4Å; E880-Y891 WeakPolarHBondContact OE2-CE2 3.48Å; G888-Y891 PolarHBondContact O-N 3.34Å; Y891-V893 VanDerWaalsContact C-N 3.26Å; Y891-V893 PolarHBondContact O-N 2.84Å; Y891-Y894 HydrophobicContact CD1-CD2 4.41Å; Y891-Y894 WeakPolarHBondContact O-CA 3.45Å; Y891-Y894 WeakPolarHBondContact O-CB 3.34Å; Y891-Y894 PolarHBondContact O-N 3.39Å; Y891-V895 WeakPolarHBondContact O-CG2 3.42Å; Y891-V895 PolarHBondContact O-N 3.33Å
892Q89.8Confident80Confident58 Ų5866.4 Ų66.427%0.27133%0.328SS..Hα-helixtrans-55-41.7168.7-65.5177.6-15.300112.3A877 G888 I896 Y908A877-Q892 HydrophobicContact CB-CG 3.95Å; G888-Q892 WeakPolarHBondContact O-CG 3.34Å; G888-Q892 PolarHBondContact O-N 2.89Å; G888-Q892 VanDerWaalsContact O-N 3.07Å; Q892-I896 WeakPolarHBondContact O-CD1 3.37Å; Q892-I896 VanDerWaalsContact O-CG1 3.3Å; Q892-I896 WeakPolarHBondContact O-CG1 3.36Å; Q892-I896 PolarHBondContact O-N 3.33Å; Q892-I896 VanDerWaalsContact O-N 3.13Å; Q892-Y908 HydrophobicContact CB-CE2 4.39Å; Q892-Y908 HydrophobicContact CG-CD2 4.5Å; Q892-Y908 HydrophobicContact CG-CE1 4.03Å; Q892-Y908 HydrophobicContact CG-CE2 3.9Å
893V89.9Confident81.2Confident74 Ų7461 Ų6145%0.44830%0.303SS..Hα-helixtrans-69.8-32.9175.4169.10000112.1R889 K890 Y891 H897R889-V893 WeakPolarHBondContact O-CG2 3.5Å; R889-V893 PolarHBondContact O-N 3.45Å; R889-V893 VanDerWaalsContact O-N 3.12Å; K890-V893 PolarHBondContact O-N 2.75Å; Y891-V893 VanDerWaalsContact C-N 3.26Å; Y891-V893 PolarHBondContact O-N 2.84Å; V893-H897 WeakPolarHBondContact CG1-CE1 3.39Å; V893-H897 VanDerWaalsContact O-CG 3.27Å; V893-H897 PolarHBondContact O-N 2.94Å; V893-H897 VanDerWaalsContact O-N 3.16Å; V893-H897 PolarHBondContact O-ND1 2.92Å
894Y92.3Very high82.6Confident51 Ų5154.9 Ų54.920%0.227%0.272CS..Hα-helixtrans-67.2-46.9173.7-72.19.3000111.1H325 F873 K890 Y891 I896 H897 T898H325-Y894 AromaticContact NE2-CD1 3.92Å; H325-Y894 AromaticContact NE2-CG 3.96Å; F873-Y894 HydrophobicContact CD1-CD2 4.39Å; F873-Y894 AromaticContact CE1-CD2 3.99Å; F873-Y894 HydrophobicContact CE1-CD2 3.99Å; F873-Y894 HydrophobicContact CE2-CD2 4.46Å; F873-Y894 HydrophobicContact CZ-CD2 4.03Å; K890-Y894 WeakPolarHBondContact CE-OH 3.19Å; K890-Y894 HydrophobicContact CG-CE1 4.08Å; K890-Y894 VanDerWaalsContact O-CD1 3.29Å; K890-Y894 WeakPolarHBondContact O-CD1 3.25Å; K890-Y894 PolarHBondContact O-N 3.44Å; Y891-Y894 HydrophobicContact CD1-CD2 4.41Å; Y891-Y894 WeakPolarHBondContact O-CA 3.45Å; Y891-Y894 WeakPolarHBondContact O-CB 3.34Å; Y891-Y894 PolarHBondContact O-N 3.39Å; Y894-I896 VanDerWaalsContact C-N 3.34Å; Y894-I896 PolarHBondContact O-N 3.38Å; Y894-H897 WeakPolarHBondContact O-CA 3.25Å; Y894-H897 WeakPolarHBondContact O-CB 3.48Å; Y894-H897 PolarHBondContact O-N 3.24Å; Y894-T898 PolarHBondContact O-N 2.84Å; Y894-T898 PolarHBondContact O-OG1 2.8Å
895V92.2Very high84.2Confident0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-52.4-50.5173.8174.40000111.1I870 F873 E874 Y891 H897 T898 S899 S906 Y908I870-V895 HydrophobicContact CG2-CG1 4.08Å; F873-V895 HydrophobicContact CB-CG2 3.47Å; F873-V895 VanDerWaalsContact CB-CG2 3.47Å; E874-V895 HydrophobicContact CG-CG1 4.11Å; E874-V895 HydrophobicContact CG-CG2 3.72Å; Y891-V895 WeakPolarHBondContact O-CG2 3.42Å; Y891-V895 PolarHBondContact O-N 3.33Å; V895-H897 PolarHBondContact O-N 3.11Å; V895-T898 PolarHBondContact O-N 2.92Å; V895-S899 WeakPolarHBondContact O-CB 3.12Å; V895-S899 PolarHBondContact O-N 3.24Å; V895-S906 WeakPolarHBondContact CG1-OG 3.39Å; V895-Y908 HydrophobicContact CB-CD2 4.05Å; V895-Y908 HydrophobicContact CG1-CD2 3.84Å; V895-Y908 HydrophobicContact CG2-CD2 4.37Å; V895-Y908 HydrophobicContact CG2-CE2 4.46Å
896I91.9Very high85.9Confident50 Ų5042.4 Ų42.426%0.25622%0.215SC..Hα-helixtrans-64.6-26.2-179.8-65.7165.4000112.2Q892 Y894 K900 T909Q892-I896 WeakPolarHBondContact O-CD1 3.37Å; Q892-I896 VanDerWaalsContact O-CG1 3.3Å; Q892-I896 WeakPolarHBondContact O-CG1 3.36Å; Q892-I896 PolarHBondContact O-N 3.33Å; Q892-I896 VanDerWaalsContact O-N 3.13Å; Y894-I896 VanDerWaalsContact C-N 3.34Å; Y894-I896 PolarHBondContact O-N 3.38Å; I896-K900 HydrophobicContact CG2-CD 4.49Å; I896-K900 WeakPolarHBondContact O-CD 3.36Å; I896-K900 VanDerWaalsContact O-CG 3.3Å; I896-K900 WeakPolarHBondContact O-CG 3.48Å; I896-T909 HydrophobicContact CB-CG2 4.5Å; I896-T909 HydrophobicContact CG1-CG2 4.17Å; I896-T909 HydrophobicContact CG2-CG2 4.43Å
897H91.9Very high87.3Confident77 Ų7742.7 Ų42.736%0.35620%0.201SC..Hα-helixtrans-78.5-48.2173.2-68.4140.4000112.3K326 V893 Y894 V895 K900 A901K326-H897 HydrophobicContact CD-CB 4.45Å; K326-H897 HydrophobicContact CG-CB 4.19Å; V893-H897 WeakPolarHBondContact CG1-CE1 3.39Å; V893-H897 VanDerWaalsContact O-CG 3.27Å; V893-H897 PolarHBondContact O-N 2.94Å; V893-H897 VanDerWaalsContact O-N 3.16Å; V893-H897 PolarHBondContact O-ND1 2.92Å; Y894-H897 WeakPolarHBondContact O-CA 3.25Å; Y894-H897 WeakPolarHBondContact O-CB 3.48Å; Y894-H897 PolarHBondContact O-N 3.24Å; V895-H897 PolarHBondContact O-N 3.11Å; H897-K900 PolarHBondContact O-N 3.17Å; H897-A901 PolarHBondContact O-N 2.92Å
898T92.8Very high88.6Confident0 Ų043.3 Ų43.30%020%0.2CC..Hα-helixtrans-64.1-45179.2-55.40000111.6H325 I328 I869 I870 Y894 V895 K900 A901 C902H325-T898 PolarHBondContact CD2-OG1 3.48Å; H325-T898 WeakPolarHBondContact O-CA 3.46Å; H325-T898 WeakPolarHBondContact O-CB 3.15Å; H325-T898 WeakPolarHBondContact O-CG2 3.33Å; H325-T898 PolarHBondContact O-OG1 2.92Å; I328-T898 HydrophobicContact CD1-CG2 3.91Å; I869-T898 HydrophobicContact CG2-CG2 4.24Å; I870-T898 HydrophobicContact CD1-CG2 4.13Å; I870-T898 HydrophobicContact CG1-CG2 3.79Å; Y894-T898 PolarHBondContact O-N 2.84Å; Y894-T898 PolarHBondContact O-OG1 2.8Å; V895-T898 PolarHBondContact O-N 2.92Å; T898-K900 PolarHBondContact O-N 3.22Å; T898-K900 VanDerWaalsContact O-N 3.11Å; T898-A901 PolarHBondContact O-N 2.88Å; T898-C902 PolarHBondContact O-N 3.1Å
899S92.5Very high89.2Confident0 Ų043.3 Ų43.30%020%0.199CC..Hα-helixtrans-52.2-34173.31730000112.7V895 N903 I904 T909V895-S899 WeakPolarHBondContact O-CB 3.12Å; V895-S899 PolarHBondContact O-N 3.24Å; S899-N903 CarbonylContact O-C 3.57Å; S899-N903 WeakPolarHBondContact O-CA 3.29Å; S899-N903 PolarHBondContact O-N 3.3Å; S899-N903 VanDerWaalsContact O-N 3.11Å; S899-I904 VanDerWaalsContact CA-O 3.3Å; S899-I904 WeakPolarHBondContact CA-O 3.45Å; S899-I904 VanDerWaalsContact CB-O 3.24Å; S899-I904 WeakPolarHBondContact CB-O 3.16Å; S899-I904 PolarHBondContact O-N 2.9Å; S899-I904 PolarHBondContact OG-O 3.21Å; S899-T909 WeakPolarHBondContact OG-CB 3.45Å; S899-T909 WeakPolarHBondContact OG-CG2 3.35Å; S899-T909 PolarHBondContact OG-OG1 2.76Å
900K90.5Very high89.4Confident95 Ų9536 Ų3641%0.41318%0.176SC..Hα-helixtrans-91.3-20.4178.5-72.3-176.9172.4-159.80115.2I75 I896 H897 T898I75-K900 HydrophobicContact CG2-CG 4.04Å; I75-K900 WeakPolarHBondContact O-CE 3.04Å; I896-K900 HydrophobicContact CG2-CD 4.49Å; I896-K900 WeakPolarHBondContact O-CD 3.36Å; I896-K900 VanDerWaalsContact O-CG 3.3Å; I896-K900 WeakPolarHBondContact O-CG 3.48Å; H897-K900 PolarHBondContact O-N 3.17Å; T898-K900 PolarHBondContact O-N 3.22Å; T898-K900 VanDerWaalsContact O-N 3.11Å
901A87.8Confident89.4Confident27 Ų2732.6 Ų32.622%0.22316%0.162CC..Hα-helixtrans-78.1-50.3174.500000110.6K326 L329 H897 T898K326-A901 VanDerWaalsContact O-CB 3.22Å; K326-A901 WeakPolarHBondContact O-CB 3.4Å; L329-A901 WeakPolarHBondContact CD1-O 3.22Å; H897-A901 PolarHBondContact O-N 2.92Å; T898-A901 PolarHBondContact O-N 2.88Å
902C86.8Confident89.3Confident1 Ų131.2 Ų31.21%0.00716%0.157CC..THydrogen-bonded Turntrans-87.7-5179.5-56.80000113.4H863 T898 I904H863-C902 PolarHBondContact CD2-O 3.31Å; T898-C902 PolarHBondContact O-N 3.1Å; C902-I904 VanDerWaalsContact C-N 3.33Å; C902-I904 HydrophobicContact CB-CD1 3.45Å; C902-I904 VanDerWaalsContact CB-CD1 3.45Å; C902-I904 HydrophobicContact CB-CG1 3.87Å; C902-I904 WeakPolarHBondContact O-CG1 3.47Å; C902-I904 PolarHBondContact O-N 2.89Å
903N86.9Confident89.2Confident14 Ų1428.7 Ų28.78%0.07515%0.145CC..THydrogen-bonded Turntrans59.136.8-178.5-148.215.6000114.8I75 P685 L686 S899I75-N903 WeakPolarHBondContact CD1-O 3.22Å; I75-N903 WeakPolarHBondContact CG1-OD1 3.32Å; P685-N903 HydrophobicContact CG-CB 4.35Å; L686-N903 HydrophobicContact CD2-CB 4.48Å; L686-N903 WeakPolarHBondContact CD2-ND2 3.33Å; L686-N903 WeakPolarHBondContact CG-ND2 3.3Å; S899-N903 CarbonylContact O-C 3.57Å; S899-N903 WeakPolarHBondContact O-CA 3.29Å; S899-N903 PolarHBondContact O-N 3.3Å; S899-N903 VanDerWaalsContact O-N 3.11Å
904I89.6Confident89.2Confident1 Ų125.6 Ų25.61%0.00513%0.126CC..  trans-107.5140.7-178.1-55.6160.6000110.2I58 I75 H863 I870 S899 C902I58-I904 HydrophobicContact CB-CG2 4.39Å; I58-I904 HydrophobicContact CD1-CD1 4.31Å; I58-I904 HydrophobicContact CD1-CG1 4.29Å; I58-I904 HydrophobicContact CD1-CG2 4.47Å; I58-I904 HydrophobicContact CG2-CG2 3.94Å; I75-I904 VanDerWaalsContact CD1-O 3.27Å; I75-I904 WeakPolarHBondContact CD1-O 3.24Å; H863-I904 WeakPolarHBondContact O-CD1 3.34Å; I870-I904 HydrophobicContact CD1-CB 3.95Å; I870-I904 HydrophobicContact CD1-CD1 4.48Å; I870-I904 HydrophobicContact CD1-CG2 4.17Å; S899-I904 VanDerWaalsContact CA-O 3.3Å; S899-I904 WeakPolarHBondContact CA-O 3.45Å; S899-I904 VanDerWaalsContact CB-O 3.24Å; S899-I904 WeakPolarHBondContact CB-O 3.16Å; S899-I904 PolarHBondContact O-N 2.9Å; S899-I904 PolarHBondContact OG-O 3.21Å; C902-I904 VanDerWaalsContact C-N 3.33Å; C902-I904 HydrophobicContact CB-CD1 3.45Å; C902-I904 VanDerWaalsContact CB-CD1 3.45Å; C902-I904 HydrophobicContact CB-CG1 3.87Å; C902-I904 WeakPolarHBondContact O-CG1 3.47Å; C902-I904 PolarHBondContact O-N 2.89Å
905L88.6Confident88.9Confident49 Ų4923.7 Ų23.726%0.25712%0.12SC..  trans-65.5151.5178.1-171.358.1000112.7E115 T909 F911E115-L905 WeakPolarHBondContact O-CD2 3.37Å; L905-T909 WeakPolarHBondContact CD1-O 3.37Å; L905-F911 HydrophobicContact CB-CD2 4.43Å; L905-F911 HydrophobicContact CB-CE2 3.86Å; L905-F911 HydrophobicContact CB-CZ 4.33Å; L905-F911 HydrophobicContact CD1-CD2 4.29Å; L905-F911 HydrophobicContact CD2-CD2 4.12Å; L905-F911 HydrophobicContact CD2-CE2 4.12Å; L905-F911 HydrophobicContact CG-CE2 4.41Å
906S89.2Confident88.6Confident6 Ų625.5 Ų25.54%0.04213%0.129CC..  trans-148.1164.4177.976.40000111.1E874 V895 Y908 T909E874-S906 WeakPolarHBondContact OE1-CA 3.08Å; E874-S906 WeakPolarHBondContact OE1-CB 3.34Å; V895-S906 WeakPolarHBondContact CG1-OG 3.39Å; S906-Y908 PolarHBondContact O-N 2.9Å; S906-Y908 PolarHBondContact OG-N 2.89Å; S906-T909 WeakPolarHBondContact CB-OG1 3.05Å; S906-T909 PolarHBondContact N-OG1 2.88Å; S906-T909 PolarHBondContact O-N 2.91Å; S906-T909 WeakPolarHBondContact OG-CB 3.38Å; S906-T909 WeakPolarHBondContact OG-CG2 3.35Å; S906-T909 PolarHBondContact OG-N 2.88Å; S906-T909 PolarHBondContact OG-OG1 2.97Å
907K85Confident88.2Confident60 Ų6028.3 Ų28.326%0.26115%0.145SC..THydrogen-bonded Turntrans-48.3-31.2174.1-168.7178.5-170.7-177.30113.4K78 E874 D878K78-K907 WeakPolarHBondContact CE-O 3.37Å; K78-K907 PolarHBondContact NZ-O 3.17Å; E874-K907 HydrophobicContact CG-CB 4.29Å; E874-K907 WeakPolarHBondContact OE1-CB 3.47Å; E874-K907 PolarHBondContact OE1-N 3.41Å; D878-K907 IonicContact OD1-NZ 2.67Å; D878-K907 PolarHBondContact OD1-NZ 2.87Å; D878-K907 IonicContact OD2-NZ 3.87Å; D878-K907 PolarHBondContact OD2-NZ 2.87Å
908Y87Confident87.8Confident41 Ų4128.2 Ų28.216%0.16115%0.15CC..THydrogen-bonded Turntrans-104.30.2-176.2-53.6-68.6000114.5G77 K78 E874 Q892 V895 S906G77-Y908 WeakPolarHBondContact CA-O 3.31Å; K78-Y908 PolarHBondContact N-O 3.49Å; E874-Y908 HydrophobicContact CG-CE2 4.2Å; Q892-Y908 HydrophobicContact CB-CE2 4.39Å; Q892-Y908 HydrophobicContact CG-CD2 4.5Å; Q892-Y908 HydrophobicContact CG-CE1 4.03Å; Q892-Y908 HydrophobicContact CG-CE2 3.9Å; V895-Y908 HydrophobicContact CB-CD2 4.05Å; V895-Y908 HydrophobicContact CG1-CD2 3.84Å; V895-Y908 HydrophobicContact CG2-CD2 4.37Å; V895-Y908 HydrophobicContact CG2-CE2 4.46Å; S906-Y908 PolarHBondContact O-N 2.9Å; S906-Y908 PolarHBondContact OG-N 2.89Å
909T89.1Confident87.2Confident0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-125.4167.9179.859.80000112.1I75 K76 K78 I896 S899 L905 S906I75-T909 HydrophobicContact CG2-CG2 4.01Å; K76-T909 CarbonylContact O-C 3.56Å; K76-T909 WeakPolarHBondContact O-CA 3.43Å; K76-T909 WeakPolarHBondContact O-CB 3.39Å; K78-T909 WeakPolarHBondContact CE-O 3.31Å; I896-T909 HydrophobicContact CB-CG2 4.5Å; I896-T909 HydrophobicContact CG1-CG2 4.17Å; I896-T909 HydrophobicContact CG2-CG2 4.43Å; S899-T909 WeakPolarHBondContact OG-CB 3.45Å; S899-T909 WeakPolarHBondContact OG-CG2 3.35Å; S899-T909 PolarHBondContact OG-OG1 2.76Å; L905-T909 WeakPolarHBondContact CD1-O 3.37Å; S906-T909 WeakPolarHBondContact CB-OG1 3.05Å; S906-T909 PolarHBondContact N-OG1 2.88Å; S906-T909 PolarHBondContact O-N 2.91Å; S906-T909 WeakPolarHBondContact OG-CB 3.38Å; S906-T909 WeakPolarHBondContact OG-CG2 3.35Å; S906-T909 PolarHBondContact OG-N 2.88Å; S906-T909 PolarHBondContact OG-OG1 2.97Å
910A87Confident86.8Confident22 Ų2240 Ų4018%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-147.7144.3178.300000109.7I75 K76 K78 L81I75-A910 WeakPolarHBondContact CA-O 3.45Å; K76-A910 PolarHBondContact N-O 2.83Å; K76-A910 PolarHBondContact O-N 2.85Å; K78-A910 HydrophobicContact CG-CB 4.19Å; L81-A910 HydrophobicContact CD1-CB 3.97Å
911F87Confident86.4Confident25 Ų2540.7 Ų40.711%0.1121%0.209CC..EExtended strand (participates in β ladder)trans-69.9139.8163.3-70.9-63.2000109.7V59 L73 I75 L119 L686 L905V59-F911 HydrophobicContact CB-CE2 4.2Å; V59-F911 HydrophobicContact CB-CZ 4.19Å; V59-F911 HydrophobicContact CG1-CZ 4.36Å; L73-F911 HydrophobicContact CB-CB 4.18Å; L73-F911 HydrophobicContact CB-CD1 3.83Å; L73-F911 HydrophobicContact CB-CG 4.29Å; L73-F911 HydrophobicContact CD1-CB 4.05Å; L73-F911 HydrophobicContact CD1-CD1 4.03Å; L73-F911 HydrophobicContact CD1-CD2 4.4Å; L73-F911 HydrophobicContact CD1-CG 3.92Å; L73-F911 HydrophobicContact CG-CB 4.48Å; I75-F911 HydrophobicContact CD1-CD1 4.19Å; I75-F911 HydrophobicContact CD1-CE1 3.65Å; I75-F911 HydrophobicContact CD1-CZ 4.12Å; I75-F911 HydrophobicContact CG1-CD1 3.57Å; I75-F911 HydrophobicContact CG1-CE1 3.51Å; I75-F911 HydrophobicContact CG1-CZ 4.4Å; L119-F911 HydrophobicContact CD1-CD2 3.91Å; L119-F911 HydrophobicContact CD1-CE2 4.41Å; L686-F911 HydrophobicContact CD1-CE1 4.32Å; L905-F911 HydrophobicContact CB-CD2 4.43Å; L905-F911 HydrophobicContact CB-CE2 3.86Å; L905-F911 HydrophobicContact CB-CZ 4.33Å; L905-F911 HydrophobicContact CD1-CD2 4.29Å; L905-F911 HydrophobicContact CD2-CD2 4.12Å; L905-F911 HydrophobicContact CD2-CE2 4.12Å; L905-F911 HydrophobicContact CG-CE2 4.41Å
912V86.9Confident85.9Confident5 Ų541 Ų413%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-129.3128.2172.3-173.50000108.4L73 Q74 K76 L81 Y921L73-V912 WeakPolarHBondContact CA-O 3.32Å; Q74-V912 PolarHBondContact N-O 2.98Å; Q74-V912 PolarHBondContact O-N 3.09Å; K76-V912 HydrophobicContact CB-CG2 4.17Å; K76-V912 HydrophobicContact CD-CG2 4.09Å; K76-V912 HydrophobicContact CG-CG2 4.4Å; L81-V912 HydrophobicContact CD1-CG2 3.98Å; L81-V912 HydrophobicContact CD2-CG2 3.94Å; V912-Y921 HydrophobicContact CG1-CD1 3.83Å
913P88.4Confident85Confident4 Ų445 Ų453%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-68.5141.6176.426.5-32.3000112.2I71 T72 L73 V121 L922I71-P913 HydrophobicContact CG2-CB 4.2Å; T72-P913 CarbonylContact O-C 3.53Å; T72-P913 WeakPolarHBondContact O-CA 3.24Å; L73-P913 HydrophobicContact CD2-CB 4.14Å; V121-P913 HydrophobicContact CG1-CB 4.15Å; P913-L922 HydrophobicContact CB-CB 4.07Å; P913-L922 HydrophobicContact CB-CD1 4.4Å; P913-L922 HydrophobicContact CG-CB 3.9Å; P913-L922 PolarHBondContact O-N 2.72Å
914I89.1Confident84Confident10 Ų1045.9 Ų45.95%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-133.9133.7178.4-59-177.4000108I71 T72 Q74 E920 Y921I71-I914 WeakPolarHBondContact CA-O 3.39Å; T72-I914 PolarHBondContact N-O 2.99Å; T72-I914 PolarHBondContact O-N 2.75Å; Q74-I914 HydrophobicContact CB-CD1 3.47Å; Q74-I914 VanDerWaalsContact CB-CD1 3.47Å; Q74-I914 HydrophobicContact CB-CG1 4.29Å; Q74-I914 HydrophobicContact CG-CD1 4.22Å; I914-E920 WeakPolarHBondContact CA-O 3.21Å; I914-Y921 HydrophobicContact CD1-CD1 4Å; I914-Y921 HydrophobicContact CD1-CE1 3.35Å; I914-Y921 HydrophobicContact CG1-CD1 3.61Å; I914-Y921 HydrophobicContact CG1-CE1 3.54Å; I914-Y921 HydrophobicContact CG1-CG 4.5Å
915D87.6Confident82.7Confident11 Ų1146 Ų466%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-76.3119.8161.4166.40.5000108.9Q69 D917 T918 N919 E920Q69-D915 HydrophobicContact CG-CB 4.41Å; Q69-D915 VanDerWaalsContact NE2-CG 3.3Å; Q69-D915 PolarHBondContact NE2-OD2 3.48Å; D915-D917 VanDerWaalsContact C-N 3.32Å; D915-D917 PolarHBondContact O-N 3.41Å; D915-D917 PolarHBondContact OD1-N 2.85Å; D915-T918 WeakPolarHBondContact CB-OG1 3.26Å; D915-T918 PolarHBondContact OD1-N 3.45Å; D915-T918 WeakPolarHBondContact OD2-CG2 3.28Å; D915-T918 PolarHBondContact OD2-OG1 3.26Å; D915-N919 WeakPolarHBondContact O-CA 3.15Å; D915-N919 PolarHBondContact O-N 2.66Å; D915-E920 PolarHBondContact N-O 3.21Å; D915-E920 VanDerWaalsContact N-O 3.08Å
916L85.4Confident81.5Confident37 Ų3745.5 Ų45.519%0.19424%0.238CC..THydrogen-bonded Turntrans-69.5-26.5-171.5-172.160.7000113.7I70 T72 R687 N919I70-L916 HydrophobicContact CB-CB 4.24Å; I70-L916 HydrophobicContact CB-CD2 4.44Å; I70-L916 HydrophobicContact CG2-CB 4.4Å; I70-L916 HydrophobicContact CG2-CD2 4.05Å; I70-L916 VanDerWaalsContact O-CB 3.28Å; I70-L916 WeakPolarHBondContact O-CB 3.35Å; I70-L916 PolarHBondContact O-N 3.14Å; T72-L916 HydrophobicContact CG2-CD1 4.32Å; R687-L916 VanDerWaalsContact NH2-CD2 3.27Å; L916-N919 PolarHBondContact O-ND2 3.38Å
917D83.3Confident80.1Confident110 Ų11050 Ų5059%0.58826%0.259SS*.THydrogen-bonded Turntrans-85.6-43.1-177.2-72.7-24.2000111.2D915D915-D917 VanDerWaalsContact C-N 3.32Å; D915-D917 PolarHBondContact O-N 3.41Å; D915-D917 PolarHBondContact OD1-N 2.85Å
918T83.2Confident78.7Confident75 Ų7549.2 Ų49.246%0.4626%0.26SS..THydrogen-bonded Turntrans-82.3-23.917661.60000112.9D915 E920D915-T918 WeakPolarHBondContact CB-OG1 3.26Å; D915-T918 PolarHBondContact OD1-N 3.45Å; D915-T918 WeakPolarHBondContact OD2-CG2 3.28Å; D915-T918 PolarHBondContact OD2-OG1 3.26Å; T918-E920 PolarHBondContact O-N 3.09Å; T918-E920 PolarHBondContact OG1-N 2.67Å
919N81Confident77.2Confident108 Ų10849.7 Ų49.758%0.57827%0.265SS*.  trans58.122.2-166.9-71.5-107.5000113.4D915 L916D915-N919 WeakPolarHBondContact O-CA 3.15Å; D915-N919 PolarHBondContact O-N 2.66Å; L916-N919 PolarHBondContact O-ND2 3.38Å
920E83.4Confident74.9Confident139 Ų13955 Ų5565%0.6529%0.294SS*.PPolyproline II helixtrans-84.4146174.3-65.7-169.6177.200111.5I914 D915 T918I914-E920 WeakPolarHBondContact CA-O 3.21Å; D915-E920 PolarHBondContact N-O 3.21Å; D915-E920 VanDerWaalsContact N-O 3.08Å; T918-E920 PolarHBondContact O-N 3.09Å; T918-E920 PolarHBondContact OG1-N 2.67Å
921Y81.8Confident72.3Confident109 Ų10957.4 Ų57.443%0.42731%0.313SS..BIsolated β-bridgetrans-86.8120.7179.3-67.3-86.4000109.7Q74 K76 V912 I914Q74-Y921 PolarHBondContact OE1-OH 3.2Å; K76-Y921 HydrophobicContact CD-CE1 4.32Å; K76-Y921 VanDerWaalsContact NZ-CD1 3.26Å; V912-Y921 HydrophobicContact CG1-CD1 3.83Å; I914-Y921 HydrophobicContact CD1-CD1 4Å; I914-Y921 HydrophobicContact CD1-CE1 3.35Å; I914-Y921 HydrophobicContact CG1-CD1 3.61Å; I914-Y921 HydrophobicContact CG1-CE1 3.54Å; I914-Y921 HydrophobicContact CG1-CG 4.5Å
922L77.4Confident69.7Low33 Ų3359.3 Ų59.317%0.17334%0.34CS..PPolyproline II helixtrans-72.7144.8173.8-67174.2000110.1I71 P913 T924I71-L922 HydrophobicContact CD1-CD1 3.67Å; I71-L922 HydrophobicContact CG1-CD1 3.93Å; I71-L922 HydrophobicContact CG2-CD1 3.95Å; P913-L922 HydrophobicContact CB-CB 4.07Å; P913-L922 HydrophobicContact CB-CD1 4.4Å; P913-L922 HydrophobicContact CG-CB 3.9Å; P913-L922 PolarHBondContact O-N 2.72Å; L922-T924 PolarHBondContact O-N 3.27Å
923P69.2Low66.9Low87 Ų8763.7 Ų63.757%0.56538%0.377SS*.PPolyproline II helixtrans-64.7124.5-177.826.2-33.9000110.6N122 C925N122-P923 PolarHBondContact ND2-O 3.24Å; P923-C925 PolarHBondContact O-N 3.34Å
924T65.8Low64Low32 Ų3275.2 Ų75.220%0.19642%0.42CS..PPolyproline II helixtrans-71.5116.7178.5-35.20000109.1Y85 L922 V926Y85-T924 WeakPolarHBondContact OH-CB 3.12Å; Y85-T924 PolarHBondContact OH-N 2.78Å; Y85-T924 PolarHBondContact OH-OG1 2.99Å; L922-T924 PolarHBondContact O-N 3.27Å; T924-V926 HydrophobicContact CG2-CB 4.19Å; T924-V926 PolarHBondContact O-N 3.47Å; T924-V926 VanDerWaalsContact O-N 3.12Å
925C61.4Low61.1Low4 Ų482.4 Ų82.43%0.02746%0.458CS..  trans-77.614.7-179.359.10000114I48 N107 I108 N122 P923I48-C925 HydrophobicContact CD1-CB 4.09Å; N107-C925 WeakPolarHBondContact CA-O 3.41Å; I108-C925 PolarHBondContact N-O 2.85Å; N122-C925 HydrophobicContact CB-CB 4.27Å; P923-C925 PolarHBondContact O-N 3.34Å
926V63.8Low58.4Low37 Ų3791.2 Ų91.222%0.22450%0.495CS..EExtended strand (participates in β ladder)trans-114.6124.6-170171.60000111I108 V110 V120 T924I108-V926 WeakPolarHBondContact O-CA 3.42Å; V110-V926 HydrophobicContact CB-CG1 4.04Å; V110-V926 HydrophobicContact CG2-CG1 3.59Å; V110-V926 HydrophobicContact CG2-CG2 4.41Å; V120-V926 HydrophobicContact CB-CG2 3.9Å; V120-V926 HydrophobicContact CG1-CG2 3.76Å; T924-V926 HydrophobicContact CG2-CB 4.19Å; T924-V926 PolarHBondContact O-N 3.47Å; T924-V926 VanDerWaalsContact O-N 3.12Å
927E59.9Low55.5Low100 Ų100101.6 Ų101.647%0.46753%0.532SS..EExtended strand (participates in β ladder)trans-109.9124.4164.9-75-176.9-156.900110N107 I108 L109 V110N107-E927 HydrophobicContact CB-CG 4.18Å; N107-E927 PolarHBondContact ND2-OE1 2.77Å; I108-E927 PolarHBondContact O-N 3.29Å; L109-E927 WeakPolarHBondContact CA-O 3.48Å; L109-E927 HydrophobicContact CD1-CB 4.08Å; V110-E927 PolarHBondContact N-O 3.37Å
928C55.3Low52.7Low44 Ų4499.5 Ų99.530%0.29754%0.536SS..EExtended strand (participates in β ladder)trans-90.4137.3175.6-54.30000110.7V110 E115 N930V110-C928 WeakPolarHBondContact O-CA 3.41Å; E115-C928 WeakPolarHBondContact OE1-CB 3.27Å; E115-C928 PolarHBondContact OE1-SG 3.19Å; C928-N930 PolarHBondContact O-N 2.72Å
929I55Low50.2Low52 Ų52101.2 Ų101.227%0.26755%0.551SS.*  trans-74.973.5-179-45.7-170.9000112L109 V110 D111 W200 A931L109-I929 HydrophobicContact CD1-CD1 4.35Å; L109-I929 HydrophobicContact CD1-CG1 3.83Å; L109-I929 HydrophobicContact CD2-CD1 3.65Å; L109-I929 HydrophobicContact CD2-CG1 4.08Å; L109-I929 HydrophobicContact CG-CD1 3.75Å; L109-I929 HydrophobicContact CG-CG1 3.69Å; V110-I929 PolarHBondContact O-N 2.88Å; V110-I929 VanDerWaalsContact O-N 3.13Å; D111-I929 VanDerWaalsContact OD1-CD1 3.31Å; D111-I929 WeakPolarHBondContact OD1-CD1 3.39Å; W200-I929 HydrophobicContact CH2-CD1 3.85Å; W200-I929 HydrophobicContact CZ3-CD1 3.59Å; I929-A931 HydrophobicContact CG2-CB 4.35Å; I929-A931 PolarHBondContact O-N 3.34Å
930N42.1Very low47.5Very low112 Ų112107.7 Ų107.760%0.59957%0.568SS**  trans-70.762.1177.4-98.9-47000112.9C928 G932C928-N930 PolarHBondContact O-N 2.72Å; N930-G932 PolarHBondContact O-N 2.94Å
931A31.1Very low44.8Very low72 Ų72106.2 Ų106.260%0.59557%0.573SS**THydrogen-bonded Turntrans-7441.9179.200000113.1K467 I929K467-A931 PolarHBondContact NZ-O 3.28Å; K467-A931 VanDerWaalsContact NZ-O 3.16Å; I929-A931 HydrophobicContact CG2-CB 4.35Å; I929-A931 PolarHBondContact O-N 3.34Å
932G33Very low42.2Very low65 Ų65112.8 Ų112.867%0.6760%0.597SS**THydrogen-bonded Turntrans-124.4-10.7176.800000114.3N930 R934N930-G932 PolarHBondContact O-N 2.94Å; G932-R934 PolarHBondContact O-N 2.91Å
933A27.6Very low39.9Very low97 Ų97117.4 Ų117.480%0.80263%0.632SS**  trans-75.150.6-170.900000115.6L935A933-L935 VanDerWaalsContact C-N 3.31Å; A933-L935 PolarHBondContact O-N 3.47Å
934R27.3Very low37.9Very low245 Ų245116.8 Ų116.893%0.92564%0.641SS**  trans-93.432.6173.7-146.6179.3-170.4-165.83113.8G932 K936G932-R934 PolarHBondContact O-N 2.91Å; R934-K936 PolarHBondContact O-N 2.91Å; R934-K936 VanDerWaalsContact O-N 3.11Å
935L28.8Very low36.1Very low162 Ų162120.8 Ų120.885%0.84867%0.671SS**  trans-77.494.2176.5-100.9164000111.7A933 R937A933-L935 VanDerWaalsContact C-N 3.31Å; A933-L935 PolarHBondContact O-N 3.47Å; L935-R937 PolarHBondContact O-N 3.4Å; L935-R937 VanDerWaalsContact O-N 3.15Å
936K29.9Very low34.7Very low196 Ų196131.9 Ų131.985%0.85271%0.712SS**  trans21.478.8155.1-63.9176.7179.7173.80116.1R934 G938R934-K936 PolarHBondContact O-N 2.91Å; R934-K936 VanDerWaalsContact O-N 3.11Å; K936-G938 PolarHBondContact O-N 3.42Å
937R25.3Very low33.1Very low255 Ų255140.2 Ų140.296%0.96275%0.745SS**  trans-7070.4165.2-172.4179.9-93.1-153.9-3.6110.8L935 S939L935-R937 PolarHBondContact O-N 3.4Å; L935-R937 VanDerWaalsContact O-N 3.15Å; R937-S939 PolarHBondContact O-N 3.28Å
938G24.9Very low31.5Very low66 Ų66143 Ų14368%0.6876%0.763SS**  trans-77.1112.7176.700000111.2K936 R940K936-G938 PolarHBondContact O-N 3.42Å; G938-R940 PolarHBondContact O-N 3.13Å
939S29.6Very low30.2Very low111 Ų111152.7 Ų152.778%0.77679%0.794SS**  trans-65.7122.1-177.8-174.90000112.3R937R937-S939 PolarHBondContact O-N 3.28Å
940R25.7Very low28.7Very low243 Ų243153.5 Ų153.592%0.91781%0.814SS**  trans-137.875.1162.8-80.1-164.9168.8-176.2-1.8111.2G938 R942G938-R940 PolarHBondContact O-N 3.13Å; R940-R942 PolarHBondContact O-N 2.99Å
941S26.8Very low28.2Very low108 Ų108159.6 Ų159.676%0.75583%0.831SS**  trans-62123.5162.955.20000110.9
942R27.4Very low28Very low247 Ų247161.5 Ų161.593%0.93284%0.84SS**  trans-144.2117.7158.4-121.5178.4-177.3-172.5-0.7111.3R940R940-R942 PolarHBondContact O-N 2.99Å
943S27.5Very low27.6Very low131 Ų131166.4 Ų166.492%0.91685%0.849SS**  trans-71.4144.3176.2-178.10000111.1
944G27.2Very low27.6Very low73 Ų73165 Ų16575%0.75384%0.843SS**  trans-157.8105.6179.800000111.5
945S28.3Very low27.7Very low117 Ų117162 Ų16282%0.81885%0.845SS**  trans-55.8142.3-173.6-177.20000114.4
946R33.1Very low27.5Very low237 Ų237157.5 Ų157.589%0.89484%0.838SS**  trans-47.4142157-71.8177.3171.2172.2-3.8110.5
947K28.9Very low27.5Very low211 Ų211159.7 Ų159.792%0.91784%0.84SS**  trans-150.1152.7148.9-110.5174.9-173.3177.40109.9
948N27.4Very low27.6Very low159 Ų159150.7 Ų150.785%0.8582%0.817SS**  trans-104.8166.9-167.6-143.7-6.4000111.4
949R27.3Very low27.8Very low248 Ų248156 Ų15694%0.93682%0.824SS**  trans75.5146.3-170-49.8171.2174.9179.5-3.3113.4
950G24.6Very low27.8Very low68 Ų68156.1 Ų156.170%0.70183%0.825SS**  cis170.7152-4.700000110.5S952G950-S952 PolarHBondContact O-N 3.23Å
951Y31.3Very low28Very low241 Ų241148 Ų14895%0.94582%0.817SS**  trans-62.8132.4-174.7-72.9-80.3000112.9
952S25.6Very low27.9Very low112 Ų112146.4 Ų146.478%0.78382%0.817SS**  trans-156.7101.9166.8-76.70000111.9G950G950-S952 PolarHBondContact O-N 3.23Å
953I26Very low27.8Very low168 Ų168142.1 Ų142.186%0.86281%0.809SS**  trans24105.5138-55.7164.6000117.1
954G26Very low27.8Very low66 Ų66139.9 Ų139.968%0.6879%0.794SS**  77.4164.7111.500000120.4
955L29.3Very low27.9Very low183 Ų183143.1 Ų143.196%0.95879%0.79SS**  trans53.9107.1171-59.1170.9000115.2
956G25.8Very low27.9Very low68 Ų68146.2 Ų146.270%0.70179%0.791SS**  cis126.1-17325.800000109.1
957R29.8Very low27.7Very low241 Ų241139.3 Ų139.391%0.90978%0.784SS**  trans62.7152.9-174.3-81.7-169.6169.6-132.50115.2
958S28.1Very low27.9Very low67 Ų67137.8 Ų137.847%0.46978%0.781SS.*  cis-176.3142.6-29.545.70000108.7
959Q28.3Very low27.9Very low177 Ų177136.7 Ų136.783%0.82778%0.775SS**  trans65.7159.5155.2-73.9159.2-27.500115
960S28.5Very low28.3Very low113 Ų113130.2 Ų130.279%0.7976%0.762SS**  cis-159.9159.1-9330000109.3
961G29.9Very low28.2Very low74 Ų74134.8 Ų134.876%0.76377%0.77SS**  trans83.8133.3179.600000112.2
962G24.9Very low28Very low73 Ų73131 Ų13175%0.75377%0.765SS**  cis74.4123.43.400000112.7
963M26Very low29Very low157 Ų157130.6 Ų130.677%0.77376%0.76SS**  cis178.8172.2-15.2-103.6-114.858.900103.8
964S27.5Very low28.9Very low85 Ų85133.5 Ų133.559%0.59476%0.762SS**  trans68.6131.5-172.3-61.10000113.4
965E28.7Very low28.9Very low141 Ų141137.3 Ų137.366%0.65977%0.767SS**  62136.252.4-51.8145.3168.900107.9
966E29.2Very low28.8Very low182 Ų182133.4 Ų133.485%0.8576%0.761SS**  cis-178.4168.38.8-112.3167.9-162.800102.5
967A27.7Very low28.9Very low91 Ų91139 Ų13975%0.75277%0.769SS**  cis-143.9-153.9-1.300000108.8
968E33.3Very low28.8Very low180 Ų180135.8 Ų135.884%0.84177%0.77SS**  trans-68.9175.6171-54.6-179.2131.400110.6
969D27.8Very low28.6Very low135 Ų135135.7 Ų135.772%0.72278%0.78SS**  cis-164.317227.6-16314.8000114.2
970V35.2Very low28.6Very low112 Ų112134.2 Ų134.268%0.67978%0.782SS**  trans47120.6157.61640000119.8
971L23.6Very low28.4Very low165 Ų165134.1 Ų134.186%0.86478%0.781SS**  -159.4137.2130-107.8175.3000112.1
972L27.3Very low29Very low160 Ų160136.1 Ų136.184%0.83878%0.781SS**  trans-121.8175171-73.7175000108.6
973P46.1Very low29Very low104 Ų104138.2 Ų138.268%0.67578%0.783SS**  cis-125.3-177-15.239.2-25.2000112.5
974Y24Very low28.9Very low229 Ų229136.3 Ų136.390%0.89879%0.785SS**  trans-163.3157137.8-122-81.6000112.5
975N25.6Very low28.9Very low146 Ų146138.4 Ų138.478%0.78180%0.795SS**  trans-95154.6-168.3-58.9-19.1000115.1
976A27.7Very low28.9Very low102 Ų102137.8 Ų137.884%0.84380%0.803SS**  trans-152.1152143.600000109.2
977E26.9Very low28.7Very low185 Ų185134.7 Ų134.786%0.86480%0.801SS**  trans-111.4-165.7-167-61.6-173.795.700113.9
978D27.7Very low28.7Very low173 Ų173135.9 Ų135.993%0.92580%0.804SS**  trans71.9131.9179.4-61.5-32.1000117.8
979G25.4Very low28.2Very low66 Ų66131.6 Ų131.668%0.6880%0.8SS**  cis165.2159.5-8.400000114.4
980V27.3Very low28Very low145 Ų145128.9 Ų128.988%0.87980%0.803SS**  trans71110.4159.5-171.40000119.5
981S25.3Very low27.6Very low111 Ų111135 Ų13578%0.77681%0.814SS**  trans-83.5155.5149.2-87.10000109.5
982P42.4Very low27.5Very low117 Ų117133.6 Ų133.676%0.7681%0.808SS**  -156.7-167.460.144.1-21.8000118.1
983C24Very low27.3Very low116 Ų116134.9 Ų134.978%0.78481%0.806SS**  trans-42.5149176.8-44.80000117.7
984S24.5Very low26.2Very low118 Ų118136.5 Ų136.583%0.82582%0.818SS**  -176.8161.5115.9-81.30000113.4
985T28.1Very low26Very low129 Ų129129.9 Ų129.979%0.79181%0.806SS**  trans-69.9166.8168.650.40000112.6
986P28.4Very low25.9Very low127 Ų127131.8 Ų131.883%0.82581%0.808SS**  -129.7161.9117.337.6-32.6000114.1
987S24.6Very low25.7Very low118 Ų118133.4 Ų133.483%0.82581%0.807SS**  trans-127.4129.6169.6177.20000109.4
988S26.7Very low25.4Very low115 Ų115133 Ų13380%0.80481%0.805SS**  trans-175.3163.9162.953.10000111.3
989A24.2Very low25.2Very low91 Ų91131.8 Ų131.875%0.75280%0.804SS**  cis179140.4-48.900000109
990G22.2Very low25.1Very low77 Ų77132.7 Ų132.779%0.79481%0.805SS**  trans72.1168.4-176.800000113.3
991W26.7Very low25.9Very low241 Ų241131 Ų13191%0.91380%0.797SS**  cis-128166.50.6-60.530.1000107.8
992D22.5Very low25.8Very low136 Ų136132.4 Ų132.473%0.72779%0.791SS**  cis-152.6179.2-10.7-136-45.4000111.1
993K24Very low24.9Very low186 Ų186137.3 Ų137.381%0.80980%0.795SS**  trans-89.1150.9177.8-77.2178.1173.91770115.1
994C21.6Very low24.9Very low138 Ų138137.1 Ų137.193%0.93280%0.795SS**  trans-145.6160.7132.9-95.20000109.8
995S20.8Very low25.2Very low91 Ų91137.3 Ų137.364%0.63679%0.793SS**  trans-147.2-176.9-163.762.50000114.4
996F22.2Very low25.1Very low186 Ų186136.4 Ų136.482%0.81679%0.792SS**  trans83146.7-175-59.5-79.4000114.8
997T23.6Very low24.8Very low136 Ų136137 Ų13783%0.83479%0.793SS**  cis-133.9158.914-32.40000113.3
998E22.5Very low24.7Very low176 Ų176137.1 Ų137.182%0.82279%0.789SS**  trans-102133.2-176.8164.3-173.4-140.400111.3
999V22.8Very low24.6Very low147 Ų147136.9 Ų136.989%0.89179%0.787SS**  trans-145.8123.8160.5-175.30000111.5
1000A23.5Very low24.6Very low86 Ų86138.9 Ų138.971%0.71179%0.785SS**  trans-155.3-179.616000000106.4
1001P43.9Very low24.7Very low110 Ų110142.7 Ų142.771%0.71478%0.782SS**  cis-137.6-167.8-1.231.6-7.6000114.2
1002Q22.9Very low24.7Very low140 Ų140135.5 Ų135.565%0.65477%0.769SS**  trans116.8129.5142.7-60.8-132-2.700120.6
1003R23.5Very low24.9Very low220 Ų220135 Ų13583%0.8376%0.762SS**  trans69.4122138-77.6-179.5171.2151.3-5.4122
1004S24.7Very low25Very low112 Ų112134.3 Ų134.378%0.78376%0.759SS**  trans-50.9162.3148.9-19.60000112.9
1005P30.7Very low25.3Very low122 Ų122132.7 Ų132.779%0.79275%0.749SS**  -139.5172.475.239.4-24.7000116.1
1006S24.3Very low25.4Very low110 Ų110133.6 Ų133.677%0.76975%0.751SS**  trans-76.5166.4167.947.90000112.8
1007V22.8Very low25.5Very low139 Ų139133.1 Ų133.184%0.84275%0.751SS**  trans-167.1156.5136.4133.50000112.2
1008T22.9Very low25.6Very low121 Ų121131 Ų13174%0.74274%0.742SS**  trans-61.9150.8-170.554.90000118.9
1009S24.8Very low25.9Very low110 Ų110129.9 Ų129.977%0.76974%0.741SS**  168.4122112.357.70000109.7
1010D23.5Very low26Very low133 Ų133131.6 Ų131.671%0.71174%0.736SS**  cis89141.445.9-171.541.6000114.2
1011Q25.6Very low26Very low156 Ų156132.3 Ų132.373%0.72974%0.736SS**  trans65.7156.3177.2-76.9165.670.300116.5
1012S26Very low25.3Very low91 Ų91131.2 Ų131.264%0.63674%0.736SS**  cis-170.4153.7-6.6149.60000108.8
1013Q25.6Very low25.6Very low124 Ų124134.5 Ų134.558%0.57974%0.743SS**  cis-172.2171.8-12-93.9171.426.100107.2
1014K27.6Very low25.9Very low173 Ų173131.7 Ų131.775%0.75274%0.743SS**  trans72.9134153.9-78.1149.6-178.7154.10117.6
1015S27.1Very low26Very low103 Ų103130 Ų13072%0.7274%0.736SS**  cis102.8147.745.785.20000110.9
1016V23.8Very low26Very low110 Ų110132.1 Ų132.167%0.66774%0.74SS**  cis-167.6172.94.2102.50000110
1017E23.3Very low26.2Very low177 Ų177131.5 Ų131.583%0.82774%0.735SS**  trans64147.7168.2-81.3141.7-149.600117.8
1018S25.8Very low26.5Very low90 Ų90135.8 Ų135.863%0.62974%0.736SS**  cis115.3125.46-179.10000113.3
1019L27.9Very low26.9Very low153 Ų153137 Ų13780%0.80174%0.744SS**  trans154.1116.5149.4-81.8165000108.6
1020F25.1Very low27.2Very low183 Ų183142.4 Ų142.480%0.80375%0.747SS**  60.4134.979.4-81.2-100.3000114.4
1021S24.5Very low27.6Very low102 Ų102144.2 Ų144.271%0.71376%0.756SS**  cis-176.2-172-10.9-146.20000112.2
1022A29Very low28.1Very low86 Ų86143.8 Ų143.871%0.71176%0.758SS**  trans94.6128.6173.700000116.1
1023R29.7Very low28.4Very low210 Ų210146.2 Ų146.279%0.79277%0.769SS**  cis96.4140.133.3-73.9179-179.2179.15.2112.2
1024L28.5Very low28.6Very low161 Ų161152.1 Ų152.184%0.84379%0.786SS**  cis-152.8177.649.9-72.9163.9000111.6
1025A26.6Very low28.6Very low76 Ų76146.3 Ų146.363%0.62877%0.77SS**  cis-176-178.8-35.200000111.5
1026L31.5Very low28.9Very low167 Ų167145.7 Ų145.787%0.87477%0.771SS**  trans92.2155.2172.2-55.3172.7000117.1
1027S28.7Very low29.3Very low96 Ų96150.7 Ų150.767%0.67178%0.784SS**  -168.2154.6-63.1610000108.8
1028R29Very low29.7Very low229 Ų229144.7 Ų144.786%0.86477%0.77SS**  cis-149.4124.519.2-63.8169.5167.3150.2-6.8111.7
1029T30.8Very low30Very low146 Ų146148.4 Ų148.490%0.89678%0.775SS**  trans-159.275.21549.30000110.4
1030R32.3Very low30Very low224 Ų224147.5 Ų147.585%0.84577%0.769SS**  trans-112.390.9177.1-82-172175.8171.11.7111.2
1031L31Very low30.3Very low171 Ų171144.1 Ų144.190%0.89577%0.766SS**SBendtrans-175.488.7155.7-105.5158.3000109.4
1032L35.3Very low30.5Very low148 Ų148148.7 Ų148.778%0.77577%0.768SS**SBendtrans-179.5-33.5155.2-105.1164.8000112.9R1034 A1035L1032-R1034 PolarHBondContact O-N 3.37Å; L1032-A1035 PolarHBondContact O-N 2.71Å
1033T32.4Very low30.4Very low141 Ų141151.3 Ų151.387%0.86578%0.775SS**THydrogen-bonded Turntrans-65.512.2-169.6-18.60000116.8
1034R31.2Very low30.3Very low248 Ų248149.3 Ų149.394%0.93677%0.774SS**THydrogen-bonded Turntrans-115.6-1.5177.8-147.1175.1-171.51732.4113.9L1032L1032-R1034 PolarHBondContact O-N 3.37Å
1035A28Very low30.3Very low51 Ų51147.1 Ų147.142%0.42177%0.772SS.*SBendtrans-111.624.2-174.400000114.1L1032 R1247L1032-A1035 PolarHBondContact O-N 2.71Å; A1035-R1247 PolarHBondContact O-NH2 3.1Å
1036A33Very low30.5Very low90 Ų90153.3 Ų153.374%0.74479%0.785SS**SBendtrans-136.911.3-172.500000114.7
1037K32.8Very low30.3Very low216 Ų216151.1 Ų151.194%0.93978%0.784SS**SBendtrans-126.129.6-179.1-149.1171.3-174.1173.10113.7
1038G30.7Very low30.3Very low51 Ų51149.7 Ų149.753%0.52679%0.785SS.*SBendtrans-172159.2175.800000108.8
1039F32Very low30.3Very low167 Ų167146.6 Ų146.673%0.73279%0.785SS**  trans67.572.9-173.7-57.6-86.6000115.9
1040M28.9Very low30.1Very low135 Ų135145.3 Ų145.367%0.66578%0.782SS**SBend-135.7143.1101.6-72.2-147.6-7400108.2
1041C29.8Very low30.1Very low111 Ų111143 Ų14375%0.7578%0.784SS**  trans-98.4139.2-164.2-79.70000114.5T1043C1041-T1043 PolarHBondContact O-N 2.94Å
1042R30.2Very low30.2Very low198 Ų198138 Ų13875%0.74778%0.775SS**  trans-61.6129.9169.1-65.8174174.3167.1-3.6110.7H1044R1042-H1044 PolarHBondContact O-N 3.47Å
1043T26.5Very low29.9Very low141 Ų141139.3 Ų139.387%0.86578%0.777SS**  trans-76.9113.2167.439.40000110.2C1041C1041-T1043 PolarHBondContact O-N 2.94Å
1044H27.8Very low29.9Very low168 Ų168138.8 Ų138.878%0.77878%0.779SS**  trans-92.8105.2175.8-87.1-72.3000111.6R1042R1042-H1044 PolarHBondContact O-N 3.47Å
1045S27.1Very low30.1Very low115 Ų115131.8 Ų131.880%0.80476%0.757SS**  trans-94.1141.2154.949.50000109.6
1046K32.6Very low30.6Very low207 Ų207134.3 Ų134.390%0.976%0.763SS**  trans-108.6118.5-176.3-74.8-176.9176.1-179.80112
1047S27.3Very low30.9Very low120 Ų120138.4 Ų138.484%0.83977%0.767SS**  trans-150.9146.9154.6510000108.4
1048G28.1Very low31.4Very low67 Ų67132.4 Ų132.469%0.69175%0.746SS**  trans-74.7155.3-161.300000117
1049D27.8Very low32Very low164 Ų164134.5 Ų134.588%0.87774%0.74SS**  trans47.2102142.1-48.6-22.8000120.3
1050S27.6Very low32.9Very low119 Ų119131.9 Ų131.983%0.83273%0.734SS**  -168.4136.7103.764.40000114.3
1051I31.6Very low34.3Very low174 Ų174126 Ų12689%0.89270%0.704SS**  trans-11.6126.3162.2-64.3161.1000117.9
1052G32.8Very low35.8Very low68 Ų68125.4 Ų125.470%0.70169%0.692SS**  105.295.2127.700000119.1
1053E29Very low37.4Very low175 Ų175117.1 Ų117.182%0.81867%0.665SS**  trans-159.6146.9150.7-125.5161.5-150.800111.9E1055E1053-E1055 VanDerWaalsContact C-N 3.26Å; E1053-E1055 PolarHBondContact O-N 3.01Å
1054S33.4Very low39.3Very low129 Ų129110.4 Ų110.490%0.90262%0.623SS**  trans-89.931.9-177.857.70000113.5
1055E35.4Very low41Very low102 Ų102104.1 Ų104.148%0.47760%0.596SS.*  trans-95.394.2179.8-75.3-146.1140.600113.2E1053 K1059E1053-E1055 VanDerWaalsContact C-N 3.26Å; E1053-E1055 PolarHBondContact O-N 3.01Å; E1055-K1059 PolarHBondContact O-NZ 3.37Å; E1055-K1059 IonicContact OE2-NZ 3.11Å
1056N37.8Very low43Very low103 Ų103102.1 Ų102.155%0.55158%0.577SS**SBendtrans-153.35.3163.3-108.2-10.5000118.7K1059N1056-K1059 PolarHBondContact OD1-NZ 3.26Å
1057E39.4Very low44.9Very low177 Ų17792.5 Ų92.583%0.82754%0.535SS*.SBendtrans-98-11.9166.7-65.3-166.8148.600113.3
1058N43.2Very low46.9Very low90 Ų9087.1 Ų87.148%0.48150%0.496SS..SBendtrans-80.7-19.1-179.8-90.3-24.9000114.8Y1061N1058-Y1061 PolarHBondContact O-N 3.39Å
1059K44.3Very low48.6Very low94 Ų9486.7 Ų86.741%0.40948%0.478SS..G310 helixtrans-74.6-33.2-165-70.9178.5177.4124.90113.3E1055 N1056 Y1061 I1062E1055-K1059 PolarHBondContact O-NZ 3.37Å; E1055-K1059 IonicContact OE2-NZ 3.11Å; N1056-K1059 PolarHBondContact OD1-NZ 3.26Å; K1059-Y1061 PolarHBondContact O-N 2.97Å; K1059-I1062 PolarHBondContact O-N 2.85Å
1060D50.5Low50.4Low112 Ų11279.7 Ų79.760%0.59944%0.443SS*.G310 helixtrans-70.5-11.1178.6-58-19.6000112.8
1061Y57.8Low51.8Low11 Ų1176.1 Ų76.14%0.04342%0.418CS..G310 helixtrans-93.4-19.6179.8-158-78.4000113.7N1058 K1059 L1064 V1065 E1209N1058-Y1061 PolarHBondContact O-N 3.39Å; K1059-Y1061 PolarHBondContact O-N 2.97Å; Y1061-L1064 HydrophobicContact CD1-CB 4.34Å; Y1061-L1064 HydrophobicContact CD1-CD1 4.36Å; Y1061-L1064 HydrophobicContact CD2-CD1 3.82Å; Y1061-L1064 HydrophobicContact CE1-CB 4.39Å; Y1061-L1064 HydrophobicContact CE1-CD1 4.03Å; Y1061-L1064 HydrophobicContact CE2-CD1 3.53Å; Y1061-L1064 HydrophobicContact CG-CD1 4.22Å; Y1061-L1064 WeakPolarHBondContact O-CB 3.47Å; Y1061-L1064 PolarHBondContact O-N 3.41Å; Y1061-L1064 VanDerWaalsContact O-N 3.09Å; Y1061-V1065 HydrophobicContact CD1-CG2 3.59Å; Y1061-V1065 HydrophobicContact CE1-CG2 3.46Å; Y1061-V1065 VanDerWaalsContact CE1-CG2 3.46Å; Y1061-V1065 PolarHBondContact O-N 3.37Å; Y1061-E1209 WeakPolarHBondContact CE2-OE1 3.37Å; Y1061-E1209 PolarHBondContact OH-OE1 2.78Å
1062I60.8Low53.5Low99 Ų9969.1 Ų69.151%0.50839%0.389SS..Hα-helixtrans-61.1-49.6-173.1-64.1169.8000112.2K1059 L1064 V1065 L1066K1059-I1062 PolarHBondContact O-N 2.85Å; I1062-L1064 PolarHBondContact O-N 2.75Å; I1062-V1065 PolarHBondContact O-N 2.64Å; I1062-L1066 HydrophobicContact CG2-CD1 4.32Å; I1062-L1066 WeakPolarHBondContact O-CG 3.45Å; I1062-L1066 PolarHBondContact O-N 3.21Å
1063P64.6Low55.6Low25 Ų2566.8 Ų66.816%0.16236%0.363CS..Hα-helixtrans-46.7-40.5169.2-38.242.7000116.1L1066 L1067 A1083 W1198P1063-L1066 WeakPolarHBondContact O-CB 3.46Å; P1063-L1066 PolarHBondContact O-N 2.99Å; P1063-L1067 PolarHBondContact O-N 3.48Å; P1063-A1083 WeakPolarHBondContact CB-O 3.32Å; P1063-A1083 WeakPolarHBondContact CG-O 3.45Å; P1063-W1198 HydrophobicContact CB-CH2 3.35Å; P1063-W1198 HydrophobicContact CB-CZ2 4.15Å; P1063-W1198 HydrophobicContact CB-CZ3 4.03Å; P1063-W1198 HydrophobicContact CG-CH2 4.25Å
1064L67.1Low58Low0 Ų058.9 Ų58.90%033%0.326CS..Hα-helixtrans-63.2-46.1-175.5-150.2-169.3000110.5Y1061 I1062 L1066 L1067 Q1068 E1209 W1210Y1061-L1064 HydrophobicContact CD1-CB 4.34Å; Y1061-L1064 HydrophobicContact CD1-CD1 4.36Å; Y1061-L1064 HydrophobicContact CD2-CD1 3.82Å; Y1061-L1064 HydrophobicContact CE1-CB 4.39Å; Y1061-L1064 HydrophobicContact CE1-CD1 4.03Å; Y1061-L1064 HydrophobicContact CE2-CD1 3.53Å; Y1061-L1064 HydrophobicContact CG-CD1 4.22Å; Y1061-L1064 WeakPolarHBondContact O-CB 3.47Å; Y1061-L1064 PolarHBondContact O-N 3.41Å; Y1061-L1064 VanDerWaalsContact O-N 3.09Å; I1062-L1064 PolarHBondContact O-N 2.75Å; L1064-L1066 VanDerWaalsContact C-N 3.35Å; L1064-L1067 PolarHBondContact O-N 3.4Å; L1064-Q1068 HydrophobicContact CD2-CG 3.91Å; L1064-Q1068 VanDerWaalsContact CD2-NE2 3.34Å; L1064-Q1068 WeakPolarHBondContact O-CB 3.47Å; L1064-Q1068 WeakPolarHBondContact O-CG 3.34Å; L1064-Q1068 PolarHBondContact O-N 3.01Å; L1064-E1209 HydrophobicContact CD1-CB 4.14Å; L1064-W1210 HydrophobicContact CB-CZ2 4.24Å; L1064-W1210 HydrophobicContact CD1-CD2 4.32Å; L1064-W1210 HydrophobicContact CD1-CG 4.38Å; L1064-W1210 HydrophobicContact CD1-CZ2 4.04Å; L1064-W1210 HydrophobicContact CD2-CD2 4.3Å; L1064-W1210 HydrophobicContact CD2-CG 4.24Å; L1064-W1210 HydrophobicContact CG-CD2 3.83Å; L1064-W1210 HydrophobicContact CG-CG 4.14Å; L1064-W1210 HydrophobicContact CG-CH2 4.46Å; L1064-W1210 HydrophobicContact CG-CZ2 3.76Å
1065V62.8Low60.2Low35 Ų3554.2 Ų54.221%0.21229%0.293CS..Hα-helixtrans-62.8-44.1175.4179.40000110.1V380 Y1061 I1062 L1067 Q1068 L1069V380-V1065 HydrophobicContact CG2-CG1 4.22Å; Y1061-V1065 HydrophobicContact CD1-CG2 3.59Å; Y1061-V1065 HydrophobicContact CE1-CG2 3.46Å; Y1061-V1065 VanDerWaalsContact CE1-CG2 3.46Å; Y1061-V1065 PolarHBondContact O-N 3.37Å; I1062-V1065 PolarHBondContact O-N 2.64Å; V1065-L1067 VanDerWaalsContact C-N 3.27Å; V1065-L1067 PolarHBondContact O-N 3.06Å; V1065-Q1068 CarbonylContact O-C 3.5Å; V1065-Q1068 PolarHBondContact O-N 2.63Å; V1065-Q1068 VanDerWaalsContact O-N 3.12Å; V1065-L1069 HydrophobicContact CG1-CD1 4.01Å; V1065-L1069 HydrophobicContact CG1-CG 4.12Å; V1065-L1069 WeakPolarHBondContact O-CB 3.31Å; V1065-L1069 WeakPolarHBondContact O-CG 3.49Å; V1065-L1069 PolarHBondContact O-N 3.4Å
1066L69.1Low62.4Low74 Ų7450.7 Ų50.739%0.38728%0.277SS..Hα-helixtrans-59-38.6180-64.8173000112I1062 P1063 L1064 L1069 A1083I1062-L1066 HydrophobicContact CG2-CD1 4.32Å; I1062-L1066 WeakPolarHBondContact O-CG 3.45Å; I1062-L1066 PolarHBondContact O-N 3.21Å; P1063-L1066 WeakPolarHBondContact O-CB 3.46Å; P1063-L1066 PolarHBondContact O-N 2.99Å; L1064-L1066 VanDerWaalsContact C-N 3.35Å; L1066-L1069 PolarHBondContact O-N 3.28Å; L1066-A1083 HydrophobicContact CB-CB 3.89Å; L1066-A1083 HydrophobicContact CD1-CB 4.11Å
1067L73.4Confident64.4Low4 Ų448.6 Ų48.62%0.02127%0.266CS..Hα-helixtrans-74.6-37.7173.4-60.7-180000113.1P1063 L1064 V1065 L1069 A1070 F1074 L1080 A1083 I1084 W1198 L1199 V1213P1063-L1067 PolarHBondContact O-N 3.48Å; L1064-L1067 PolarHBondContact O-N 3.4Å; V1065-L1067 VanDerWaalsContact C-N 3.27Å; V1065-L1067 PolarHBondContact O-N 3.06Å; L1067-L1069 PolarHBondContact O-N 3.2Å; L1067-A1070 PolarHBondContact O-N 3.23Å; L1067-F1074 HydrophobicContact CB-CE1 4Å; L1067-F1074 HydrophobicContact CB-CZ 3.95Å; L1067-F1074 HydrophobicContact CD2-CD1 3.95Å; L1067-F1074 HydrophobicContact CD2-CE1 3.5Å; L1067-F1074 VanDerWaalsContact CD2-CE1 3.5Å; L1067-F1074 HydrophobicContact CD2-CZ 3.91Å; L1067-F1074 HydrophobicContact CG-CE1 4.33Å; L1067-F1074 HydrophobicContact CG-CZ 4.44Å; L1067-L1080 HydrophobicContact CD2-CD1 3.82Å; L1067-A1083 HydrophobicContact CD2-CB 4.17Å; L1067-A1083 HydrophobicContact CG-CB 4.3Å; L1067-I1084 HydrophobicContact CD1-CG2 4.48Å; L1067-W1198 HydrophobicContact CD1-CE3 3.55Å; L1067-W1198 HydrophobicContact CD1-CZ3 3.56Å; L1067-L1199 HydrophobicContact CD1-CD2 3.61Å; L1067-L1199 HydrophobicContact CD1-CG 4.17Å; L1067-V1213 HydrophobicContact CB-CG1 4.1Å
1068Q69Low66Low7 Ų744 Ų443%0.03325%0.253CS..Hα-helixtrans-62.2-18.5170.5-74.5174.6-16.700113V380 K383 L1064 V1065 E1209 V1213V380-Q1068 HydrophobicContact CG1-CB 4.39Å; V380-Q1068 VanDerWaalsContact CG1-OE1 3.27Å; K383-Q1068 VanDerWaalsContact CB-O 3.31Å; K383-Q1068 WeakPolarHBondContact CB-O 3.37Å; L1064-Q1068 HydrophobicContact CD2-CG 3.91Å; L1064-Q1068 VanDerWaalsContact CD2-NE2 3.34Å; L1064-Q1068 WeakPolarHBondContact O-CB 3.47Å; L1064-Q1068 WeakPolarHBondContact O-CG 3.34Å; L1064-Q1068 PolarHBondContact O-N 3.01Å; V1065-Q1068 CarbonylContact O-C 3.5Å; V1065-Q1068 PolarHBondContact O-N 2.63Å; V1065-Q1068 VanDerWaalsContact O-N 3.12Å; Q1068-E1209 PolarHBondContact NE2-O 2.76Å; Q1068-V1213 HydrophobicContact CG-CG2 3.45Å; Q1068-V1213 VanDerWaalsContact CG-CG2 3.45Å
1069L63.3Low67.4Low58 Ų5842 Ų4230%0.30425%0.249SC..THydrogen-bonded Turntrans-84.10.4178-73.3176.5000114.2V379 K383 V1065 L1066 L1067V379-L1069 HydrophobicContact CG1-CD2 3.6Å; K383-L1069 HydrophobicContact CD-CB 4.4Å; K383-L1069 HydrophobicContact CD-CD2 3.86Å; K383-L1069 WeakPolarHBondContact CD-O 3.33Å; K383-L1069 PolarHBondContact NZ-O 2.92Å; V1065-L1069 HydrophobicContact CG1-CD1 4.01Å; V1065-L1069 HydrophobicContact CG1-CG 4.12Å; V1065-L1069 WeakPolarHBondContact O-CB 3.31Å; V1065-L1069 WeakPolarHBondContact O-CG 3.49Å; V1065-L1069 PolarHBondContact O-N 3.4Å; L1066-L1069 PolarHBondContact O-N 3.28Å; L1067-L1069 PolarHBondContact O-N 3.2Å
1070A66.6Low69Low18 Ų1837.8 Ų37.815%0.14923%0.231CC..  trans-78.4134.6174.400000112.7L1067 F1074 W1220L1067-A1070 PolarHBondContact O-N 3.23Å; A1070-F1074 HydrophobicContact CB-CD1 3.86Å; A1070-F1074 HydrophobicContact CB-CE1 3.43Å; A1070-F1074 VanDerWaalsContact CB-CE1 3.43Å; A1070-F1074 HydrophobicContact CB-CZ 4.17Å; A1070-W1220 HydrophobicContact CB-CH2 3.94Å; A1070-W1220 HydrophobicContact CB-CZ3 4.21Å
1071S55.5Low70.3Confident43 Ų4333.2 Ų33.230%0.30121%0.208SC..SBendtrans-85.4-32.2174.243.10000112.9E412E412-S1071 VanDerWaalsContact OE1-CB 3.29Å; E412-S1071 WeakPolarHBondContact OE1-CB 3.17Å; E412-S1071 PolarHBondContact OE1-OG 2.55Å
1072G68Low71.2Confident27 Ų2739.4 Ų39.428%0.27824%0.237SC..SBendtrans-139.4-163178.300000111.8W1220G1072-W1220 WeakPolarHBondContact O-CH2 3.48Å; G1072-W1220 VanDerWaalsContact O-CZ3 3.25Å; G1072-W1220 WeakPolarHBondContact O-CZ3 3.38Å
1073A76.9Confident71.7Confident20 Ų2034.8 Ų34.817%0.16521%0.213CC..SBendtrans-49.3143.7178.900000112.8M1188 W1220A1073-M1188 HydrophobicContact CB-CB 4.45Å; A1073-M1188 HydrophobicContact CB-SD 4.37Å; A1073-W1220 HydrophobicContact CB-CB 4.07Å
1074F80.1Confident72.3Confident8 Ų833.6 Ų33.64%0.03521%0.206CC..PPolyproline II helixtrans-71.1128.1-175.8-66.3-73.1000110.7L1067 A1070 M1188 A1191 T1192 A1195 V1213 A1217 W1220L1067-F1074 HydrophobicContact CB-CE1 4Å; L1067-F1074 HydrophobicContact CB-CZ 3.95Å; L1067-F1074 HydrophobicContact CD2-CD1 3.95Å; L1067-F1074 HydrophobicContact CD2-CE1 3.5Å; L1067-F1074 VanDerWaalsContact CD2-CE1 3.5Å; L1067-F1074 HydrophobicContact CD2-CZ 3.91Å; L1067-F1074 HydrophobicContact CG-CE1 4.33Å; L1067-F1074 HydrophobicContact CG-CZ 4.44Å; A1070-F1074 HydrophobicContact CB-CD1 3.86Å; A1070-F1074 HydrophobicContact CB-CE1 3.43Å; A1070-F1074 VanDerWaalsContact CB-CE1 3.43Å; A1070-F1074 HydrophobicContact CB-CZ 4.17Å; F1074-M1188 WeakPolarHBondContact O-CA 3.33Å; F1074-A1191 HydrophobicContact CB-CB 4.26Å; F1074-A1191 WeakPolarHBondContact O-CB 3.45Å; F1074-T1192 HydrophobicContact CD2-CG2 4.2Å; F1074-T1192 PolarHBondContact N-OG1 2.92Å; F1074-A1195 HydrophobicContact CD2-CB 3.5Å; F1074-A1195 VanDerWaalsContact CD2-CB 3.5Å; F1074-A1195 HydrophobicContact CE2-CB 3.69Å; F1074-A1195 HydrophobicContact CG-CB 4.1Å; F1074-A1195 HydrophobicContact CZ-CB 4.46Å; F1074-V1213 HydrophobicContact CZ-CG1 4.26Å; F1074-A1217 HydrophobicContact CE2-CB 4.09Å; F1074-W1220 HydrophobicContact CD2-CE3 4.41Å; F1074-W1220 HydrophobicContact CD2-CZ3 4.23Å; F1074-W1220 HydrophobicContact CE1-CZ3 4.44Å; F1074-W1220 HydrophobicContact CE2-CE3 4.2Å; F1074-W1220 AromaticContact CE2-CZ3 3.72Å; F1074-W1220 HydrophobicContact CE2-CZ3 3.72Å; F1074-W1220 AromaticContact CZ-CZ3 3.84Å; F1074-W1220 HydrophobicContact CZ-CZ3 3.84Å
1075P79.3Confident72.7Confident32 Ų3239.3 Ų39.321%0.20824%0.236CC..PPolyproline II helixtrans-75.9150.117032.2-35000110.8D1077 L1080P1075-D1077 VanDerWaalsContact C-N 3.28Å; P1075-D1077 WeakPolarHBondContact CG-OD2 3.22Å; P1075-D1077 PolarHBondContact O-N 2.62Å; P1075-L1080 WeakPolarHBondContact O-CD2 3.34Å
1076L80.3Confident73.5Confident27 Ų2738.1 Ų38.114%0.14123%0.229CC..SBendtrans-80.474.5173.1-17161.6000110.4L1080 M1088 L1091 K1092 A1191L1076-L1080 HydrophobicContact CD1-CD2 4.47Å; L1076-M1088 HydrophobicContact CD1-CE 4.33Å; L1076-M1088 HydrophobicContact CD1-SD 4.01Å; L1076-M1088 HydrophobicContact CD2-SD 4.38Å; L1076-M1088 HydrophobicContact CG-CE 4.1Å; L1076-M1088 HydrophobicContact CG-SD 3.82Å; L1076-M1088 WeakPolarHBondContact O-CE 3.32Å; L1076-L1091 HydrophobicContact CD1-CB 4.25Å; L1076-L1091 HydrophobicContact CD1-CD1 4.01Å; L1076-K1092 HydrophobicContact CD2-CG 4.28Å; L1076-A1191 HydrophobicContact CB-CB 4.07Å; L1076-A1191 HydrophobicContact CD1-CB 4.3Å
1077D79.7Confident73.8Confident59 Ų5938 Ų3832%0.31623%0.233SC..SBendtrans-122.8-176.2-17675.913.4000114P1075 A1079 L1080 C1081 M1088P1075-D1077 VanDerWaalsContact C-N 3.28Å; P1075-D1077 WeakPolarHBondContact CG-OD2 3.22Å; P1075-D1077 PolarHBondContact O-N 2.62Å; D1077-A1079 WeakPolarHBondContact OD1-CA 3.23Å; D1077-A1079 WeakPolarHBondContact OD1-CB 3.14Å; D1077-A1079 PolarHBondContact OD1-N 2.62Å; D1077-L1080 PolarHBondContact OD1-N 3.02Å; D1077-C1081 PolarHBondContact O-N 3.32Å; D1077-C1081 PolarHBondContact O-SG 2.88Å; D1077-M1088 VanDerWaalsContact O-CE 3.28Å; D1077-M1088 WeakPolarHBondContact O-CE 3.24Å
1078S72.8Confident74.1Confident80 Ų8039.9 Ų39.956%0.55924%0.242SC*.Hα-helixtrans-70.9-30.3178.454.40000113.2C1081 E1082S1078-C1081 PolarHBondContact O-N 2.99Å; S1078-E1082 WeakPolarHBondContact O-CB 3.16Å; S1078-E1082 WeakPolarHBondContact O-CG 3.23Å; S1078-E1082 PolarHBondContact O-N 2.71Å
1079A73.5Confident74.4Confident48 Ų4844.4 Ų44.440%0.39727%0.267SS..Hα-helixtrans-69.9-37179.300000111.3D1077 A1083D1077-A1079 WeakPolarHBondContact OD1-CA 3.23Å; D1077-A1079 WeakPolarHBondContact OD1-CB 3.14Å; D1077-A1079 PolarHBondContact OD1-N 2.62Å; A1079-A1083 WeakPolarHBondContact O-CB 3.4Å; A1079-A1083 PolarHBondContact O-N 3.09Å
1080L78.7Confident74.9Confident7 Ų743.7 Ų43.74%0.03726%0.261CS..Hα-helixtrans-61.6-46.4168.6179.363.9000111.3L1067 P1075 L1076 D1077 E1082 A1083 I1084 A1191 A1195L1067-L1080 HydrophobicContact CD2-CD1 3.82Å; P1075-L1080 WeakPolarHBondContact O-CD2 3.34Å; L1076-L1080 HydrophobicContact CD1-CD2 4.47Å; D1077-L1080 PolarHBondContact OD1-N 3.02Å; L1080-E1082 PolarHBondContact O-N 3.43Å; L1080-A1083 PolarHBondContact O-N 2.81Å; L1080-I1084 HydrophobicContact CD1-CG2 4.02Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.1Å; L1080-I1084 PolarHBondContact O-N 2.85Å; L1080-A1191 HydrophobicContact CD2-CB 3.5Å; L1080-A1195 HydrophobicContact CD1-CB 4.25Å
1081C77.8Confident75.5Confident16 Ų1642.8 Ų42.811%0.10825%0.254CS..Hα-helixtrans-62.9-39.3179.7-65.20000112.8D1077 S1078 N1085 V1086 M1088D1077-C1081 PolarHBondContact O-N 3.32Å; D1077-C1081 PolarHBondContact O-SG 2.88Å; S1078-C1081 PolarHBondContact O-N 2.99Å; C1081-N1085 VanDerWaalsContact O-CA 3.24Å; C1081-N1085 WeakPolarHBondContact O-CA 3.38Å; C1081-N1085 PolarHBondContact O-N 2.88Å; C1081-V1086 WeakPolarHBondContact CB-O 3.38Å; C1081-V1086 PolarHBondContact O-N 2.86Å; C1081-M1088 VanDerWaalsContact SG-CE 3.5Å
1082E75.6Confident76.7Confident141 Ų14143.5 Ų43.566%0.65925%0.251SS*.Hα-helixtrans-67.1-39.5174.3-76.2170-161.100111.8S1078 L1080S1078-E1082 WeakPolarHBondContact O-CB 3.16Å; S1078-E1082 WeakPolarHBondContact O-CG 3.23Å; S1078-E1082 PolarHBondContact O-N 2.71Å; L1080-E1082 PolarHBondContact O-N 3.43Å
1083A72.9Confident76.9Confident1 Ų147.2 Ų47.21%0.00826%0.257CS..Hα-helixtrans-64.4-5917500000111.5P1063 L1066 L1067 A1079 L1080 N1085P1063-A1083 WeakPolarHBondContact CB-O 3.32Å; P1063-A1083 WeakPolarHBondContact CG-O 3.45Å; L1066-A1083 HydrophobicContact CB-CB 3.89Å; L1066-A1083 HydrophobicContact CD1-CB 4.11Å; L1067-A1083 HydrophobicContact CD2-CB 4.17Å; L1067-A1083 HydrophobicContact CG-CB 4.3Å; A1079-A1083 WeakPolarHBondContact O-CB 3.4Å; A1079-A1083 PolarHBondContact O-N 3.09Å; L1080-A1083 PolarHBondContact O-N 2.81Å; A1083-N1085 PolarHBondContact O-N 3.39Å
1084I76.6Confident76.8Confident1 Ų146.4 Ų46.41%0.00525%0.25CS..Hα-helixtrans-76.6-5.7-17673.4179.7000113.7L1067 L1080 V1086 L1091 V1194 W1198L1067-I1084 HydrophobicContact CD1-CG2 4.48Å; L1080-I1084 HydrophobicContact CD1-CG2 4.02Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.1Å; L1080-I1084 PolarHBondContact O-N 2.85Å; I1084-V1086 VanDerWaalsContact C-N 3.32Å; I1084-V1086 HydrophobicContact CD1-CB 4.04Å; I1084-V1086 HydrophobicContact CD1-CG2 4.15Å; I1084-V1086 HydrophobicContact CG1-CB 3.9Å; I1084-V1086 HydrophobicContact CG1-CG2 3.93Å; I1084-V1086 PolarHBondContact O-N 2.91Å; I1084-L1091 HydrophobicContact CD1-CD1 4.04Å; I1084-L1091 HydrophobicContact CD1-CD2 4.08Å; I1084-V1194 HydrophobicContact CD1-CG1 3.58Å; I1084-W1198 HydrophobicContact CB-CB 4.45Å; I1084-W1198 HydrophobicContact CB-CD2 3.81Å; I1084-W1198 HydrophobicContact CB-CE3 4.37Å; I1084-W1198 HydrophobicContact CB-CG 3.79Å; I1084-W1198 HydrophobicContact CG2-CB 4.12Å; I1084-W1198 HydrophobicContact CG2-CD2 3.65Å; I1084-W1198 HydrophobicContact CG2-CE3 3.76Å; I1084-W1198 HydrophobicContact CG2-CG 3.79Å; I1084-W1198 HydrophobicContact CG2-CZ3 4.49Å; I1084-W1198 PolarHBondContact O-NE1 3.06Å
1085N75.3Confident76.8Confident119 Ų11946 Ų4664%0.63625%0.248SC*.THydrogen-bonded Turntrans53.741.7-175.2-166.530.2000113.6C1081 A1083C1081-N1085 VanDerWaalsContact O-CA 3.24Å; C1081-N1085 WeakPolarHBondContact O-CA 3.38Å; C1081-N1085 PolarHBondContact O-N 2.88Å; A1083-N1085 PolarHBondContact O-N 3.39Å
1086V78.4Confident76.6Confident10 Ų1044.8 Ų44.86%0.06124%0.24CC..  trans-122.6125.3176.6-176.60000109.9C1081 I1084 K1090 L1091 F1243 L1246C1081-V1086 WeakPolarHBondContact CB-O 3.38Å; C1081-V1086 PolarHBondContact O-N 2.86Å; I1084-V1086 VanDerWaalsContact C-N 3.32Å; I1084-V1086 HydrophobicContact CD1-CB 4.04Å; I1084-V1086 HydrophobicContact CD1-CG2 4.15Å; I1084-V1086 HydrophobicContact CG1-CB 3.9Å; I1084-V1086 HydrophobicContact CG1-CG2 3.93Å; I1084-V1086 PolarHBondContact O-N 2.91Å; V1086-K1090 HydrophobicContact CG1-CB 4.07Å; V1086-L1091 HydrophobicContact CB-CD2 4.01Å; V1086-L1091 HydrophobicContact CB-CG 4.44Å; V1086-L1091 HydrophobicContact CG1-CD2 3.53Å; V1086-L1091 HydrophobicContact CG1-CG 4Å; V1086-F1243 HydrophobicContact CG2-CE1 4.16Å; V1086-L1246 HydrophobicContact CG1-CD1 4.11Å; V1086-L1246 HydrophobicContact CG1-CD2 4.29Å; V1086-L1246 HydrophobicContact CG2-CD1 3.76Å
1087P76.7Confident76.6Confident72 Ų7243.5 Ų43.547%0.46823%0.234SC..  trans-59.9137.5178-26.134.9000113.6D1089 K1090 L1091P1087-D1089 PolarHBondContact O-N 2.88Å; P1087-D1089 VanDerWaalsContact O-N 3.1Å; P1087-K1090 WeakPolarHBondContact O-CB 3.43Å; P1087-K1090 PolarHBondContact O-N 2.96Å; P1087-L1091 PolarHBondContact O-N 2.85Å
1088M78.6Confident76.2Confident43 Ų4343.4 Ų43.421%0.21224%0.241CC..Hα-helixtrans-48.8-39-179.418057.475.700113.7L1076 D1077 C1081 K1090 L1091 K1092L1076-M1088 HydrophobicContact CD1-CE 4.33Å; L1076-M1088 HydrophobicContact CD1-SD 4.01Å; L1076-M1088 HydrophobicContact CD2-SD 4.38Å; L1076-M1088 HydrophobicContact CG-CE 4.1Å; L1076-M1088 HydrophobicContact CG-SD 3.82Å; L1076-M1088 WeakPolarHBondContact O-CE 3.32Å; D1077-M1088 VanDerWaalsContact O-CE 3.28Å; D1077-M1088 WeakPolarHBondContact O-CE 3.24Å; C1081-M1088 VanDerWaalsContact SG-CE 3.5Å; M1088-K1090 PolarHBondContact O-N 2.86Å; M1088-L1091 PolarHBondContact O-N 3.3Å; M1088-K1092 HydrophobicContact CG-CD 4.16Å; M1088-K1092 HydrophobicContact CG-CG 4.48Å; M1088-K1092 WeakPolarHBondContact O-CG 3.42Å; M1088-K1092 PolarHBondContact O-N 2.88Å; M1088-K1092 HydrophobicContact SD-CD 4.22Å; M1088-K1092 HydrophobicContact SD-CG 4.09Å
1089D75.1Confident76.2Confident103 Ų10341.4 Ų41.455%0.55123%0.227SC*.Hα-helixtrans-66.2-37.7-179.1-53.5-50.7000112.2P1087 W1093P1087-D1089 PolarHBondContact O-N 2.88Å; P1087-D1089 VanDerWaalsContact O-N 3.1Å; D1089-W1093 VanDerWaalsContact O-CB 3.24Å; D1089-W1093 WeakPolarHBondContact O-CB 3.42Å; D1089-W1093 PolarHBondContact O-N 2.94Å
1090K75.6Confident76.3Confident42 Ų4239.5 Ų39.518%0.18321%0.21CC..Hα-helixtrans-62.6-45.9173.7-65.7-164.8-176.8-175.20109.9V1086 P1087 M1088 K1092 W1093 T1094 L1246 D1250V1086-K1090 HydrophobicContact CG1-CB 4.07Å; P1087-K1090 WeakPolarHBondContact O-CB 3.43Å; P1087-K1090 PolarHBondContact O-N 2.96Å; M1088-K1090 PolarHBondContact O-N 2.86Å; K1090-K1092 PolarHBondContact O-N 2.98Å; K1090-W1093 PolarHBondContact O-N 2.85Å; K1090-T1094 PolarHBondContact O-N 3.19Å; K1090-T1094 PolarHBondContact O-OG1 2.97Å; K1090-T1094 VanDerWaalsContact O-OG1 3.05Å; K1090-L1246 HydrophobicContact CD-CD2 3.52Å; K1090-D1250 IonicContact NZ-OD1 2.69Å
1091L79.3Confident75.9Confident0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-60.9-45.3179.6-59.4-174.7000112.7L1076 I1084 V1086 P1087 M1088 T1094 S1095 W1190 V1194 L1242L1076-L1091 HydrophobicContact CD1-CB 4.25Å; L1076-L1091 HydrophobicContact CD1-CD1 4.01Å; I1084-L1091 HydrophobicContact CD1-CD1 4.04Å; I1084-L1091 HydrophobicContact CD1-CD2 4.08Å; V1086-L1091 HydrophobicContact CB-CD2 4.01Å; V1086-L1091 HydrophobicContact CB-CG 4.44Å; V1086-L1091 HydrophobicContact CG1-CD2 3.53Å; V1086-L1091 HydrophobicContact CG1-CG 4Å; P1087-L1091 PolarHBondContact O-N 2.85Å; M1088-L1091 PolarHBondContact O-N 3.3Å; L1091-T1094 PolarHBondContact O-OG1 3.18Å; L1091-S1095 PolarHBondContact O-N 2.96Å; L1091-W1190 PolarHBondContact O-NE1 3.4Å; L1091-V1194 HydrophobicContact CD2-CG1 3.92Å; L1091-L1242 HydrophobicContact CD2-CD2 3.76Å
1092K80Confident74.9Confident57 Ų5746.6 Ų46.625%0.24825%0.248CC..Hα-helixtrans-67.2-38.5178-73.9179.8173.8-172.70112.4L1076 M1088 K1090 S1095 H1100 R1101 L1104L1076-K1092 HydrophobicContact CD2-CG 4.28Å; M1088-K1092 HydrophobicContact CG-CD 4.16Å; M1088-K1092 HydrophobicContact CG-CG 4.48Å; M1088-K1092 WeakPolarHBondContact O-CG 3.42Å; M1088-K1092 PolarHBondContact O-N 2.88Å; M1088-K1092 HydrophobicContact SD-CD 4.22Å; M1088-K1092 HydrophobicContact SD-CG 4.09Å; K1090-K1092 PolarHBondContact O-N 2.98Å; K1092-S1095 PolarHBondContact O-N 2.88Å; K1092-H1100 HydrophobicContact CB-CB 4.33Å; K1092-H1100 HydrophobicContact CG-CB 4.44Å; K1092-R1101 WeakPolarHBondContact O-CG 3.44Å; K1092-L1104 HydrophobicContact CB-CD1 3.98Å; K1092-L1104 HydrophobicContact CB-CG 4.38Å; K1092-L1104 HydrophobicContact CD-CD2 4.49Å
1093W71.3Confident73.8Confident105 Ų10543.2 Ų43.240%0.39824%0.24SC..Hα-helixtrans-70.1-37.7-177.8-161.981.1000112.6D1089 K1090 R1101 L1104 M1257D1089-W1093 VanDerWaalsContact O-CB 3.24Å; D1089-W1093 WeakPolarHBondContact O-CB 3.42Å; D1089-W1093 PolarHBondContact O-N 2.94Å; K1090-W1093 PolarHBondContact O-N 2.85Å; W1093-R1101 WeakPolarHBondContact O-CD 3.41Å; W1093-L1104 HydrophobicContact CB-CD1 3.84Å; W1093-L1104 HydrophobicContact CG-CD1 4.28Å; W1093-M1257 HydrophobicContact CE3-SD 4.46Å; W1093-M1257 HydrophobicContact CH2-CB 3.83Å; W1093-M1257 HydrophobicContact CH2-CG 4.49Å; W1093-M1257 HydrophobicContact CH2-SD 3.99Å; W1093-M1257 HydrophobicContact CZ3-CB 4.24Å; W1093-M1257 HydrophobicContact CZ3-SD 3.84Å
1094T74.7Confident72.9Confident4 Ų445.7 Ų45.73%0.02525%0.252CS..Hα-helixtrans-82.5-1017755.50000114.7K1090 L1091 L1242 Y1260K1090-T1094 PolarHBondContact O-N 3.19Å; K1090-T1094 PolarHBondContact O-OG1 2.97Å; K1090-T1094 VanDerWaalsContact O-OG1 3.05Å; L1091-T1094 PolarHBondContact O-OG1 3.18Å; T1094-L1242 HydrophobicContact CG2-CD1 3.87Å; T1094-Y1260 HydrophobicContact CG2-CD1 4.49Å; T1094-Y1260 HydrophobicContact CG2-CE1 4Å; T1094-Y1260 PolarHBondContact O-OH 3.3Å
1095S80.3Confident71.2Confident0 Ų048.3 Ų48.30%028%0.28CS..  trans-60.7138-175-165.40000112.7L1091 K1092 F1097 H1100 R1101 W1190L1091-S1095 PolarHBondContact O-N 2.96Å; K1092-S1095 PolarHBondContact O-N 2.88Å; S1095-F1097 PolarHBondContact O-N 2.86Å; S1095-H1100 WeakPolarHBondContact CB-ND1 3.35Å; S1095-H1100 PolarHBondContact OG-ND1 2.8Å; S1095-R1101 VanDerWaalsContact O-CZ 3.22Å; S1095-R1101 PolarHBondContact O-NE 3.09Å; S1095-R1101 PolarHBondContact O-NH2 3.24Å; S1095-W1190 VanDerWaalsContact CA-CE2 3.49Å; S1095-W1190 PolarHBondContact OG-NE1 2.82Å
1096P75.9Confident69.3Low6 Ų651.7 Ų51.74%0.03929%0.292CS..SBendtrans-67-19.9178.727.5-35000113.3R1101 W1190 K1230 I1235P1096-R1101 VanDerWaalsContact C-NH2 3.27Å; P1096-R1101 PolarHBondContact O-NH2 2.99Å; P1096-W1190 VanDerWaalsContact CD-CZ3 3.42Å; P1096-W1190 HydrophobicContact CG-CE3 3.97Å; P1096-W1190 HydrophobicContact CG-CZ3 4.16Å; P1096-K1230 PolarHBondContact O-NZ 2.82Å; P1096-I1235 HydrophobicContact CG-CG1 4.36Å
1097F80.7Confident67.4Low0 Ų059.5 Ų59.50%033%0.332CS..SBendtrans-80.4142.3179.8-57-69.9000112.7S1095 H1100 E1186 V1189 W1190 P1227 E1228 I1235S1095-F1097 PolarHBondContact O-N 2.86Å; F1097-H1100 AromaticContact CD2-CE1 3.88Å; F1097-E1186 HydrophobicContact CB-CB 4.16Å; F1097-E1186 HydrophobicContact CB-CG 4.41Å; F1097-E1186 HydrophobicContact CD1-CB 4.06Å; F1097-E1186 HydrophobicContact CD1-CG 3.74Å; F1097-E1186 HydrophobicContact CD2-CB 3.96Å; F1097-E1186 WeakPolarHBondContact CD2-O 3.39Å; F1097-E1186 HydrophobicContact CE1-CG 4.16Å; F1097-E1186 HydrophobicContact CE2-CB 4.39Å; F1097-E1186 WeakPolarHBondContact CE2-O 3.32Å; F1097-E1186 HydrophobicContact CG-CB 3.78Å; F1097-E1186 HydrophobicContact CG-CG 3.98Å; F1097-V1189 HydrophobicContact CE2-CB 4.32Å; F1097-V1189 HydrophobicContact CE2-CG1 4.09Å; F1097-V1189 HydrophobicContact CZ-CB 4.3Å; F1097-V1189 HydrophobicContact CZ-CG1 3.86Å; F1097-W1190 HydrophobicContact CD2-CB 4.08Å; F1097-W1190 HydrophobicContact CE2-CB 4.01Å; F1097-P1227 HydrophobicContact CD1-CG 4.44Å; F1097-P1227 HydrophobicContact CE1-CG 3.8Å; F1097-P1227 HydrophobicContact CZ-CG 4.26Å; F1097-E1228 HydrophobicContact CD1-CG 4.37Å; F1097-E1228 VanDerWaalsContact CD1-OE2 3.32Å; F1097-E1228 WeakPolarHBondContact CD1-OE2 3.02Å; F1097-I1235 HydrophobicContact CZ-CD1 3.9Å
1098A70.6Confident65.3Low57 Ų5760.6 Ų60.647%0.47134%0.342SS..Hα-helixtrans-77-30.8-176.900000113.4H1100 R1101 S1102A1098-H1100 PolarHBondContact O-N 2.88Å; A1098-R1101 PolarHBondContact O-N 3.34Å; A1098-S1102 PolarHBondContact O-N 2.9Å; A1098-S1102 VanDerWaalsContact O-N 3.07Å; A1098-S1102 PolarHBondContact O-OG 3.26Å
1099S72.1Confident63.1Low37 Ų3767.2 Ų67.226%0.25937%0.371SS..Hα-helixtrans-51.8-46.1175.756.40000113.6R1101 S1102 S1103 E1186S1099-R1101 PolarHBondContact O-N 2.89Å; S1099-S1102 PolarHBondContact O-OG 3.43Å; S1099-S1103 PolarHBondContact O-N 3.35Å; S1099-E1186 WeakPolarHBondContact CB-OE2 3.31Å; S1099-E1186 PolarHBondContact OG-OE2 2.88Å
1100H75.4Confident60.8Low9 Ų968.2 Ų68.24%0.04239%0.387CS..Hα-helixtrans-67.6-37.5-177.3-59.2149000111.9K1092 S1095 F1097 A1098 S1103 E1186 S1187K1092-H1100 HydrophobicContact CB-CB 4.33Å; K1092-H1100 HydrophobicContact CG-CB 4.44Å; S1095-H1100 WeakPolarHBondContact CB-ND1 3.35Å; S1095-H1100 PolarHBondContact OG-ND1 2.8Å; F1097-H1100 AromaticContact CD2-CE1 3.88Å; A1098-H1100 PolarHBondContact O-N 2.88Å; H1100-S1103 PolarHBondContact O-N 2.88Å; H1100-S1103 PolarHBondContact O-OG 2.77Å; H1100-E1186 VanDerWaalsContact CE1-C 3.44Å; H1100-E1186 PolarHBondContact CE1-O 2.9Å; H1100-S1187 PolarHBondContact CE1-N 2.83Å; H1100-S1187 VanDerWaalsContact NE2-CA 3.34Å; H1100-S1187 WeakPolarHBondContact NE2-CA 3.35Å; H1100-S1187 PolarHBondContact NE2-N 3.37Å; H1100-S1187 PolarHBondContact NE2-OG 3.03Å
1101R70.2Confident58.9Low81 Ų8170 Ų7031%0.30642%0.416SS..Hα-helixtrans-77.6-33.8-178.6-69.3-174.1-114.7139.49.4113K1092 W1093 S1095 P1096 A1098 S1099 S1103 L1104K1092-R1101 WeakPolarHBondContact O-CG 3.44Å; W1093-R1101 WeakPolarHBondContact O-CD 3.41Å; S1095-R1101 VanDerWaalsContact O-CZ 3.22Å; S1095-R1101 PolarHBondContact O-NE 3.09Å; S1095-R1101 PolarHBondContact O-NH2 3.24Å; P1096-R1101 VanDerWaalsContact C-NH2 3.27Å; P1096-R1101 PolarHBondContact O-NH2 2.99Å; A1098-R1101 PolarHBondContact O-N 3.34Å; S1099-R1101 PolarHBondContact O-N 2.89Å; R1101-S1103 PolarHBondContact O-N 2.94Å; R1101-L1104 PolarHBondContact O-N 3.4Å
1102S56.9Low56.5Low90 Ų9075.6 Ų75.663%0.62946%0.456SS*.Hα-helixtrans-64.9-28.3173.160.10000112.3A1098 S1099 L1104 G1105A1098-S1102 PolarHBondContact O-N 2.9Å; A1098-S1102 VanDerWaalsContact O-N 3.07Å; A1098-S1102 PolarHBondContact O-OG 3.26Å; S1099-S1102 PolarHBondContact O-OG 3.43Å; S1102-L1104 PolarHBondContact O-N 3.42Å; S1102-G1105 PolarHBondContact O-N 3.44Å
1103S53.9Low54.2Low71 Ų7184 Ų8450%0.49749%0.486SS..THydrogen-bonded Turntrans-65.8-15.217483.80000115.2S1099 H1100 R1101S1099-S1103 PolarHBondContact O-N 3.35Å; H1100-S1103 PolarHBondContact O-N 2.88Å; H1100-S1103 PolarHBondContact O-OG 2.77Å; R1101-S1103 PolarHBondContact O-N 2.94Å
1104L54.4Low52.2Low52 Ų5290.5 Ų90.527%0.27251%0.51SS..THydrogen-bonded Turntrans-91.8-2.2177.9-64.2171000113.2K1092 W1093 R1101 S1102 H1106K1092-L1104 HydrophobicContact CB-CD1 3.98Å; K1092-L1104 HydrophobicContact CB-CG 4.38Å; K1092-L1104 HydrophobicContact CD-CD2 4.49Å; W1093-L1104 HydrophobicContact CB-CD1 3.84Å; W1093-L1104 HydrophobicContact CG-CD1 4.28Å; R1101-L1104 PolarHBondContact O-N 3.4Å; S1102-L1104 PolarHBondContact O-N 3.42Å; L1104-H1106 VanDerWaalsContact C-N 3.26Å; L1104-H1106 PolarHBondContact O-N 3.03Å
1105G39.7Very low50Low57 Ų5796.6 Ų96.659%0.58855%0.548SS*.THydrogen-bonded Turntrans-73.935.1-166.100000118.1S1102S1102-G1105 PolarHBondContact O-N 3.44Å
1106H36.5Very low47.5Very low190 Ų190104.2 Ų104.288%0.8859%0.589SS**THydrogen-bonded Turntrans-142.225.6-179.7-96.2-62.2000116.4L1104L1104-H1106 VanDerWaalsContact C-N 3.26Å; L1104-H1106 PolarHBondContact O-N 3.03Å
1107L38.5Very low45.3Very low173 Ų173109.3 Ų109.391%0.90663%0.625SS**  trans-128.555.9176.7-95.2169.1000114.7
1108S30.8Very low42.8Very low96 Ų96115.3 Ų115.367%0.67166%0.661SS**  trans-150.7132.5171.1-77.50000109.8
1109H33.8Very low40.8Very low181 Ų181119.5 Ų119.584%0.83868%0.676SS**  cis-145.6154.9-9.4-71-68.7000109.4
1110S26.5Very low38.6Very low125 Ų125125.3 Ų125.387%0.87470%0.704SS**  trans-144.3104.8147.2-172.60000109.1
1111G34.8Very low36.3Very low78 Ų78127.7 Ų127.780%0.80473%0.731SS**  trans-92.7130.417400000110
1112S28.8Very low34.2Very low119 Ų119128.8 Ų128.883%0.83275%0.751SS**  trans-112.4132170-166.30000110.8
1113R32.3Very low32.6Very low232 Ų232135.3 Ų135.388%0.87576%0.762SS**  trans-82.3154.3170.3-72.7178.2172.8170.2-2.6109.1T1115R1113-T1115 PolarHBondContact O-N 2.81Å
1114R29.3Very low31.2Very low242 Ų242136.6 Ų136.691%0.91377%0.771SS**  trans-59.3125.4173.1-64.9179.6-179.8175.9-1.9111.3
1115T28Very low31.2Very low132 Ų132138.8 Ų138.881%0.8179%0.788SS**  trans-144.3119.9146.246.70000107.3R1113R1113-T1115 PolarHBondContact O-N 2.81Å
1116D29Very low30.5Very low160 Ų160145.4 Ų145.486%0.85680%0.801SS**  trans-72.4131.8170.7-63.9-68.6000110.3
1117S28.7Very low30.1Very low114 Ų114145 Ų14580%0.79780%0.799SS**  trans-172.9144.1134.947.80000112.1
1118T29.4Very low30.2Very low125 Ų125142.4 Ų142.477%0.76779%0.793SS**  trans-5916715954.50000110.3
1119D27.9Very low30Very low146 Ų146145 Ų14578%0.78180%0.799SS**  cis-169.116428.8-155.5-1.4000111.6
1120D26.9Very low31Very low158 Ų158140.3 Ų140.385%0.84579%0.785SS**  trans43.2-179.1159.8-148.4-6.4000120.3
1121G25.6Very low30.9Very low59 Ų59144.8 Ų144.861%0.60878%0.784SS**  trans164.3-39.116300000120.2
1122S27Very low30.7Very low105 Ų105149.7 Ų149.773%0.73479%0.787SS**  trans66.7154.2173.685.70000121.4
1123R23.9Very low31.6Very low227 Ų227149.4 Ų149.486%0.85778%0.782SS**  trans57.8102.1149.8-75.7-179.1166.6164.7-3122.5
1124S24.5Very low31.4Very low97 Ų97143.1 Ų143.168%0.67878%0.779SS**  40.1158.599.575.10000121.8
1125P52.7Low31.6Very low98 Ų98136 Ų13664%0.63677%0.772SS**  cis-140.6-171.5-16.923.33.7000115.1
1126F24.7Very low31.8Very low196 Ų196135.9 Ų135.986%0.8677%0.767SS**  trans91.8140.8156.2-69.7-69.1000122.4
1127E28.2Very low31.9Very low181 Ų181135.9 Ų135.985%0.84676%0.761SS**  trans-59175.8164-84.2-178.2160.300114.4
1128P41.6Very low32.1Very low120 Ų120135.6 Ų135.678%0.77976%0.759SS**  cis-140.6-177.622.439-17.2000119
1129D26.6Very low32.3Very low149 Ų149134.8 Ų134.880%0.79777%0.765SS**  trans-57-169.7158.1-132.13.1000112.7
1130P54.8Low32.3Very low83 Ų83131 Ų13154%0.53976%0.761SS.*  cis-145.1-169.11.521.48.6000117.3
1131Y25.3Very low32.6Very low219 Ų219130.2 Ų130.286%0.85976%0.762SS**  trans98.5150.5148.3-68.9-58000124.3
1132Q29.4Very low32.8Very low182 Ų182134.8 Ų134.885%0.8577%0.773SS**  trans-105.1-160.5173.8-46.7169.6-74.800109.7
1133P48.4Very low33.3Very low113 Ų113135.2 Ų135.273%0.73478%0.775SS**  cis-140.9171-12.841.4-22.7000117.9
1134A28.5Very low34.3Very low99 Ų99130 Ų13082%0.81877%0.771SS**  trans53.1160.3138.400000126.9
1135A33Very low34.5Very low93 Ų93130.6 Ų130.677%0.76978%0.775SS**  trans83.5150.2163.700000118.3
1136D31.4Very low33.6Very low129 Ų129136.6 Ų136.669%0.6979%0.787SS**  cis-162.6170.1-3-140-35.4000115
1137H31.6Very low34.6Very low161 Ų161132.8 Ų132.875%0.74578%0.781SS**  trans64.1166157.5-57.9-6.1000121.5
1138S32.8Very low34.7Very low107 Ų107128.9 Ų128.975%0.74877%0.774SS**  cis-169.9162.1-45.7700000113.8
1139A32.8Very low34.2Very low108 Ų108133.1 Ų133.189%0.89377%0.774SS**  trans71.7147.2165.200000121.4
1140G28.3Very low34.2Very low68 Ų68131.6 Ų131.670%0.70177%0.766SS**  cis173.7177.9-9.300000117.7
1141T33.2Very low33Very low140 Ų140131.1 Ų131.186%0.85977%0.769SS**  trans82.4132.3161.2310000126
1142N29.4Very low33.1Very low156 Ų156132.6 Ų132.683%0.83477%0.774SS**  trans93.5145.5151.7-64-9.2000122.4
1143S37.5Very low34.8Very low113 Ų113129 Ų12979%0.7977%0.766SS**  trans-126.8-179-159.7-26.50000112.6
1144P46.6Very low33.7Very low119 Ų119131.5 Ų131.577%0.77377%0.774SS**  cis-121.5-155.14424.12.3000112.4
1145S28.6Very low33.7Very low108 Ų108131 Ų13176%0.75577%0.769SS**  cis-155.9-173.523-61.10000114.1
1146Y32.3Very low33.4Very low225 Ų225129.8 Ų129.888%0.88277%0.766SS**  trans-120.3175.8177.8-85.5-73.4000110.8
1147P46.2Very low33.3Very low115 Ų115132.7 Ų132.775%0.74778%0.775SS**  cis-138.4151.61533.2-10.4000119.9
1148S30Very low33.1Very low99 Ų99129.1 Ų129.169%0.69277%0.768SS**  68144.7125.8-174.40000121.8
1149R31.3Very low32.8Very low209 Ų209130.8 Ų130.879%0.78977%0.774SS**  cis-167.9173.2-14-9817369.9167.63.3105.4
1150N26.7Very low32.4Very low117 Ų117129.9 Ų129.963%0.62677%0.767SS**  cis-132.7178.410-95.3-30.4000107.8
1151A29Very low32.2Very low73 Ų73136.4 Ų136.460%0.60378%0.776SS**  cis88.3127.71700000117.6
1152W29.2Very low31.9Very low250 Ų250137.7 Ų137.795%0.94777%0.772SS**  cis-164.9175-11.3-117.319000111
1153P64Low32.5Very low107 Ų107134.1 Ų134.170%0.69576%0.758SS**  trans-111.7174-171.342.2-34.4000116
1154D25.1Very low31.9Very low166 Ų166135.7 Ų135.789%0.88875%0.753SS**  trans-171.3167.2163.1-118.76.7000109.3
1155A29.3Very low30.8Very low87 Ų87137.1 Ų137.172%0.71975%0.747SS**  cis-170.3152.9-46.800000111.9
1156G25.3Very low30.7Very low69 Ų69140.4 Ų140.471%0.71175%0.748SS**  trans98.4130.314400000121.8
1157Q29.7Very low30.2Very low190 Ų190135.3 Ų135.389%0.88875%0.745SS**  trans68.5151.4139.5-62.9-170.515.400119.7
1158S28Very low29.2Very low85 Ų85133.8 Ų133.859%0.59475%0.751SS**  cis-166.5160.9-11.3-105.40000111.9
1159T25.9Very low28.9Very low143 Ų143132.8 Ų132.888%0.87776%0.756SS**  trans64.5150.7157.648.60000118.9
1160A25Very low28.7Very low89 Ų89127.5 Ų127.574%0.73675%0.751SS**  cis-141.2154.38.600000113.8
1161F24.3Very low28.7Very low204 Ų204130.2 Ų130.290%0.89576%0.76SS**  trans-95.4175.7152.7-84.6-106.1000107.7
1162E26.7Very low28.6Very low167 Ų167133.4 Ų133.478%0.7877%0.772SS**  cis-165.1-166.444.5-139.5-151161.600110.4
1163P41.1Very low28.4Very low82 Ų82126.3 Ų126.353%0.53277%0.767SS.*  -137.2-163.2-102.746.8-29.3000117.9
1164Q26Very low26.4Very low145 Ų145126.8 Ų126.868%0.67877%0.773SS**  trans77151.6155.3-68.9170.229.700118.8
1165F24.1Very low26.6Very low150 Ų150125.7 Ų125.766%0.65878%0.775SS**  cis-158.5157.1-8.9-114.1-35.9000112.9
1166F24.7Very low26.7Very low176 Ų176125 Ų12577%0.77278%0.777SS**  trans34.5124.8154.4-66.8-65.8000124.2
1167S23.7Very low27Very low118 Ų118127.3 Ų127.383%0.82578%0.781SS**  145.3120.998.8-161.30000116.8
1168G23.4Very low26.8Very low83 Ų83124.8 Ų124.886%0.85678%0.779SS**  trans67.3158.2162.100000118.3
1169G25Very low26.7Very low78 Ų78128 Ų12880%0.80479%0.786SS**  cis168.9141-9.400000112.6
1170S26Very low26.8Very low99 Ų99131.5 Ų131.569%0.69279%0.789SS**  trans70.1119.2175.2-96.40000121.3
1171E27.3Very low27.2Very low174 Ų174136.6 Ų136.681%0.81379%0.79SS**  61.5148.1128.2-63.7164.2128.900120.9
1172T26.5Very low27.7Very low139 Ų139135.9 Ų135.985%0.85379%0.791SS**  cis-124.3167.88.150.80000112.8
1173A24.8Very low28.9Very low101 Ų101133.3 Ų133.384%0.83578%0.779SS**  trans-95.2150.4-167.300000116.1
1174S23.3Very low30.2Very low117 Ų117132.4 Ų132.482%0.81877%0.77SS**  trans-114.3128162.4-72.50000110.3G1176S1174-G1176 VanDerWaalsContact C-N 3.31Å; S1174-G1176 PolarHBondContact O-N 3.21Å
1175P29.5Very low32.3Very low143 Ų143129 Ų12993%0.92976%0.76SS**  trans-79.875.1178.832.7-34.7000111.4
1176G29.9Very low34.9Very low74 Ų74123.4 Ų123.476%0.76374%0.736SS**  trans-119.438.9-170.100000116.2S1174S1174-G1176 VanDerWaalsContact C-N 3.31Å; S1174-G1176 PolarHBondContact O-N 3.21Å
1177S31.6Very low37.5Very low116 Ų116116.1 Ų116.181%0.81171%0.707SS**  trans-165.894.9168.3-172.40000113.7
1178V25.7Very low40.1Very low138 Ų138112.8 Ų112.884%0.83668%0.679SS**  trans-146.4143.4158.5-179.70000108.6
1179M27.1Very low42.9Very low151 Ų151108.9 Ų108.974%0.74464%0.639SS**  trans59.864.4170.7-80.3-178.4173.400117.9R1181M1179-R1181 VanDerWaalsContact C-N 3.35Å
1180K28.1Very low45.7Very low217 Ų217105.2 Ų105.294%0.94360%0.6SS**  trans-97.963.3135.9-159.2170.4-171.3174.50109.3M1182K1180-M1182 PolarHBondContact O-N 3.18Å
1181R32.3Very low48.5Very low197 Ų197100.5 Ų100.574%0.74357%0.568SS**  trans-77.5115.9174.8-179177.7-75-179.6-2.6107.9M1179 Q1183M1179-R1181 VanDerWaalsContact C-N 3.35Å; R1181-Q1183 PolarHBondContact O-N 3.4Å; R1181-Q1183 VanDerWaalsContact O-N 3.16Å
1182M34Very low51.2Low188 Ų18892.2 Ų92.293%0.92653%0.529SS*.  trans-51.1115.9173.6-170.7166.5171.300109.3K1180K1180-M1182 PolarHBondContact O-N 3.18Å
1183Q52.1Low53.8Low114 Ų11485.7 Ų85.753%0.53349%0.489SS..  trans-83.8140.2-179-68.4-177-5.400109.7R1181 M1188R1181-Q1183 PolarHBondContact O-N 3.4Å; R1181-Q1183 VanDerWaalsContact O-N 3.16Å; Q1183-M1188 PolarHBondContact OE1-SD 3.45Å; Q1183-M1188 VanDerWaalsContact OE1-SD 3.41Å
1184D69.4Low56.6Low62 Ų6280.9 Ų80.933%0.33245%0.449SS..  trans-76.1127.2-179.4-170.2-24.9000109.9E1186 S1187 M1188D1184-E1186 PolarHBondContact O-N 3.46Å; D1184-E1186 WeakPolarHBondContact OD1-CB 3.27Å; D1184-E1186 PolarHBondContact OD1-N 3.42Å; D1184-S1187 WeakPolarHBondContact O-CB 3.5Å; D1184-S1187 PolarHBondContact O-N 3.24Å; D1184-S1187 VanDerWaalsContact O-N 3.11Å; D1184-M1188 PolarHBondContact O-N 2.9Å
1185P70.9Confident59.4Low73 Ų7375.3 Ų75.347%0.47441%0.411SS..Hα-helixtrans-57.5-34.5174.823.9-34.2000112.5S1187 M1188 V1189P1185-S1187 VanDerWaalsContact C-N 3.28Å; P1185-S1187 PolarHBondContact O-N 3Å; P1185-M1188 PolarHBondContact O-N 2.87Å; P1185-V1189 WeakPolarHBondContact O-CB 3.42Å; P1185-V1189 WeakPolarHBondContact O-CG2 3.41Å; P1185-V1189 PolarHBondContact O-N 3Å
1186E76.9Confident61.9Low33 Ų3368.9 Ų68.915%0.15437%0.368CS..Hα-helixtrans-59.7-41.6176.3-67.8178.6-167.800111F1097 S1099 H1100 D1184 W1190 P1227F1097-E1186 HydrophobicContact CB-CB 4.16Å; F1097-E1186 HydrophobicContact CB-CG 4.41Å; F1097-E1186 HydrophobicContact CD1-CB 4.06Å; F1097-E1186 HydrophobicContact CD1-CG 3.74Å; F1097-E1186 HydrophobicContact CD2-CB 3.96Å; F1097-E1186 WeakPolarHBondContact CD2-O 3.39Å; F1097-E1186 HydrophobicContact CE1-CG 4.16Å; F1097-E1186 HydrophobicContact CE2-CB 4.39Å; F1097-E1186 WeakPolarHBondContact CE2-O 3.32Å; F1097-E1186 HydrophobicContact CG-CB 3.78Å; F1097-E1186 HydrophobicContact CG-CG 3.98Å; S1099-E1186 WeakPolarHBondContact CB-OE2 3.31Å; S1099-E1186 PolarHBondContact OG-OE2 2.88Å; H1100-E1186 VanDerWaalsContact CE1-C 3.44Å; H1100-E1186 PolarHBondContact CE1-O 2.9Å; D1184-E1186 PolarHBondContact O-N 3.46Å; D1184-E1186 WeakPolarHBondContact OD1-CB 3.27Å; D1184-E1186 PolarHBondContact OD1-N 3.42Å; E1186-W1190 WeakPolarHBondContact O-CB 3.29Å; E1186-W1190 PolarHBondContact O-N 3.37Å; E1186-P1227 HydrophobicContact CB-CG 4.36Å; E1186-P1227 HydrophobicContact CG-CB 3.89Å; E1186-P1227 HydrophobicContact CG-CG 3.34Å
1187S79.1Confident64.3Low24 Ų2465.4 Ų65.417%0.16833%0.332CS..Hα-helixtrans-64.2-43.3176.7-79.70000112.4H1100 D1184 P1185 A1191H1100-S1187 PolarHBondContact CE1-N 2.83Å; H1100-S1187 VanDerWaalsContact NE2-CA 3.34Å; H1100-S1187 WeakPolarHBondContact NE2-CA 3.35Å; H1100-S1187 PolarHBondContact NE2-N 3.37Å; H1100-S1187 PolarHBondContact NE2-OG 3.03Å; D1184-S1187 WeakPolarHBondContact O-CB 3.5Å; D1184-S1187 PolarHBondContact O-N 3.24Å; D1184-S1187 VanDerWaalsContact O-N 3.11Å; P1185-S1187 VanDerWaalsContact C-N 3.28Å; P1185-S1187 PolarHBondContact O-N 3Å; S1187-A1191 WeakPolarHBondContact O-CB 3.3Å; S1187-A1191 PolarHBondContact O-N 3.3Å
1188M80.2Confident66.7Low48 Ų4860.7 Ų60.724%0.23630%0.297CS..Hα-helixtrans-73.1-37.9-178.9-64.8-151.2-61.900113.3A1073 F1074 Q1183 D1184 P1185 T1192A1073-M1188 HydrophobicContact CB-CB 4.45Å; A1073-M1188 HydrophobicContact CB-SD 4.37Å; F1074-M1188 WeakPolarHBondContact O-CA 3.33Å; Q1183-M1188 PolarHBondContact OE1-SD 3.45Å; Q1183-M1188 VanDerWaalsContact OE1-SD 3.41Å; D1184-M1188 PolarHBondContact O-N 2.9Å; P1185-M1188 PolarHBondContact O-N 2.87Å; M1188-T1192 VanDerWaalsContact O-CB 3.25Å; M1188-T1192 WeakPolarHBondContact O-CB 3.44Å; M1188-T1192 PolarHBondContact O-N 3.07Å; M1188-T1192 PolarHBondContact O-OG1 2.86Å
1189V81.6Confident69.1Low1 Ų154.6 Ų54.61%0.00626%0.259CS..Hα-helixtrans-61.4-47174.1169.80000110F1097 P1185 A1193 L1221 Q1224 I1235F1097-V1189 HydrophobicContact CE2-CB 4.32Å; F1097-V1189 HydrophobicContact CE2-CG1 4.09Å; F1097-V1189 HydrophobicContact CZ-CB 4.3Å; F1097-V1189 HydrophobicContact CZ-CG1 3.86Å; P1185-V1189 WeakPolarHBondContact O-CB 3.42Å; P1185-V1189 WeakPolarHBondContact O-CG2 3.41Å; P1185-V1189 PolarHBondContact O-N 3Å; V1189-A1193 WeakPolarHBondContact O-CB 3.41Å; V1189-A1193 PolarHBondContact O-N 2.86Å; V1189-L1221 HydrophobicContact CB-CD1 4.33Å; V1189-L1221 HydrophobicContact CG1-CD1 3.83Å; V1189-L1221 VanDerWaalsContact O-CD1 3.25Å; V1189-L1221 WeakPolarHBondContact O-CD1 3.36Å; V1189-Q1224 HydrophobicContact CG2-CB 3.84Å; V1189-Q1224 HydrophobicContact CG2-CG 4.34Å; V1189-I1235 HydrophobicContact CG1-CD1 3.96Å; V1189-I1235 HydrophobicContact CG1-CG2 4.31Å
1190W84.3Confident71.3Confident0 Ų052.8 Ų52.80%025%0.249CC..Hα-helixtrans-66.9-48.1178.6-179.6-125.5000113.1L1091 S1095 P1096 F1097 E1186 T1192 A1193 V1194 I1235 A1238 A1239 L1242L1091-W1190 PolarHBondContact O-NE1 3.4Å; S1095-W1190 VanDerWaalsContact CA-CE2 3.49Å; S1095-W1190 PolarHBondContact OG-NE1 2.82Å; P1096-W1190 VanDerWaalsContact CD-CZ3 3.42Å; P1096-W1190 HydrophobicContact CG-CE3 3.97Å; P1096-W1190 HydrophobicContact CG-CZ3 4.16Å; F1097-W1190 HydrophobicContact CD2-CB 4.08Å; F1097-W1190 HydrophobicContact CE2-CB 4.01Å; E1186-W1190 WeakPolarHBondContact O-CB 3.29Å; E1186-W1190 PolarHBondContact O-N 3.37Å; W1190-T1192 VanDerWaalsContact C-N 3.28Å; W1190-T1192 PolarHBondContact O-N 3.4Å; W1190-A1193 PolarHBondContact O-N 2.85Å; W1190-V1194 HydrophobicContact CD2-CG2 3.74Å; W1190-V1194 HydrophobicContact CE3-CG2 4.04Å; W1190-V1194 HydrophobicContact CG-CG2 4.41Å; W1190-V1194 HydrophobicContact CH2-CG2 3.8Å; W1190-V1194 HydrophobicContact CZ2-CG2 3.44Å; W1190-V1194 VanDerWaalsContact CZ2-CG2 3.44Å; W1190-V1194 HydrophobicContact CZ3-CG2 4.08Å; W1190-V1194 WeakPolarHBondContact O-CG2 3.21Å; W1190-V1194 PolarHBondContact O-N 2.79Å; W1190-I1235 HydrophobicContact CE3-CG2 4.44Å; W1190-A1238 HydrophobicContact CH2-CB 4.39Å; W1190-A1238 HydrophobicContact CZ3-CB 4.14Å; W1190-A1239 HydrophobicContact CH2-CB 4.19Å; W1190-A1239 HydrophobicContact CZ3-CB 3.86Å; W1190-L1242 HydrophobicContact CZ2-CD2 4.24Å
1191A84.3Confident73.2Confident1 Ų146.6 Ų46.61%0.00822%0.223CC..Hα-helixtrans-57.2-41.2177.300000112.3F1074 L1076 L1080 S1187 V1194 A1195F1074-A1191 HydrophobicContact CB-CB 4.26Å; F1074-A1191 WeakPolarHBondContact O-CB 3.45Å; L1076-A1191 HydrophobicContact CB-CB 4.07Å; L1076-A1191 HydrophobicContact CD1-CB 4.3Å; L1080-A1191 HydrophobicContact CD2-CB 3.5Å; S1187-A1191 WeakPolarHBondContact O-CB 3.3Å; S1187-A1191 PolarHBondContact O-N 3.3Å; A1191-V1194 PolarHBondContact O-N 2.86Å; A1191-A1195 WeakPolarHBondContact O-CB 3.36Å; A1191-A1195 PolarHBondContact O-N 2.82Å
1192T83Confident74.6Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-71.3-37.5179.3-55.20000112.4F1074 M1188 W1190 L1196 A1217 W1220 L1221F1074-T1192 HydrophobicContact CD2-CG2 4.2Å; F1074-T1192 PolarHBondContact N-OG1 2.92Å; M1188-T1192 VanDerWaalsContact O-CB 3.25Å; M1188-T1192 WeakPolarHBondContact O-CB 3.44Å; M1188-T1192 PolarHBondContact O-N 3.07Å; M1188-T1192 PolarHBondContact O-OG1 2.86Å; W1190-T1192 VanDerWaalsContact C-N 3.28Å; W1190-T1192 PolarHBondContact O-N 3.4Å; T1192-L1196 WeakPolarHBondContact O-CB 3.44Å; T1192-L1196 PolarHBondContact O-N 2.81Å; T1192-A1217 HydrophobicContact CG2-CB 4.05Å; T1192-A1217 VanDerWaalsContact CG2-O 3.24Å; T1192-A1217 WeakPolarHBondContact CG2-O 3.42Å; T1192-W1220 HydrophobicContact CG2-CB 4.35Å; T1192-L1221 HydrophobicContact CG2-CB 4Å; T1192-L1221 HydrophobicContact CG2-CD1 4.49Å
1193A82.3Confident75.6Confident1 Ų131.2 Ų31.21%0.00816%0.164CC..Hα-helixtrans-66.1-41.317300000112.6V1189 W1190 L1196 A1197 L1221 I1235 A1239V1189-A1193 WeakPolarHBondContact O-CB 3.41Å; V1189-A1193 PolarHBondContact O-N 2.86Å; W1190-A1193 PolarHBondContact O-N 2.85Å; A1193-L1196 PolarHBondContact O-N 3.09Å; A1193-A1197 WeakPolarHBondContact O-CB 3.37Å; A1193-A1197 PolarHBondContact O-N 2.9Å; A1193-L1221 HydrophobicContact CB-CD1 4.34Å; A1193-L1221 HydrophobicContact CB-CD2 3.99Å; A1193-I1235 HydrophobicContact CB-CG2 3.76Å; A1193-A1239 HydrophobicContact CB-CB 4.02Å; A1193-A1239 WeakPolarHBondContact O-CB 3.29Å
1194V84Confident75.7Confident1 Ų130.1 Ų30.11%0.00618%0.175CC..Hα-helixtrans-65.5-42.9175.2170.10000111.5I1084 L1091 W1190 A1191 L1196 A1197 W1198 A1239 L1242 F1243I1084-V1194 HydrophobicContact CD1-CG1 3.58Å; L1091-V1194 HydrophobicContact CD2-CG1 3.92Å; W1190-V1194 HydrophobicContact CD2-CG2 3.74Å; W1190-V1194 HydrophobicContact CE3-CG2 4.04Å; W1190-V1194 HydrophobicContact CG-CG2 4.41Å; W1190-V1194 HydrophobicContact CH2-CG2 3.8Å; W1190-V1194 HydrophobicContact CZ2-CG2 3.44Å; W1190-V1194 VanDerWaalsContact CZ2-CG2 3.44Å; W1190-V1194 HydrophobicContact CZ3-CG2 4.08Å; W1190-V1194 WeakPolarHBondContact O-CG2 3.21Å; W1190-V1194 PolarHBondContact O-N 2.79Å; A1191-V1194 PolarHBondContact O-N 2.86Å; V1194-L1196 VanDerWaalsContact C-N 3.35Å; V1194-L1196 PolarHBondContact O-N 2.84Å; V1194-A1197 PolarHBondContact O-N 2.92Å; V1194-W1198 WeakPolarHBondContact O-CB 3.49Å; V1194-W1198 PolarHBondContact O-N 2.76Å; V1194-A1239 HydrophobicContact CG2-CB 4.39Å; V1194-L1242 HydrophobicContact CG1-CD2 3.99Å; V1194-L1242 HydrophobicContact CG2-CD2 3.9Å; V1194-F1243 HydrophobicContact CG1-CE2 4.1Å; V1194-F1243 HydrophobicContact CG1-CZ 3.95Å; V1194-F1243 WeakPolarHBondContact O-CE2 3.39Å
1195A82.1Confident74.6Confident0 Ų031.8 Ų31.80%019%0.191CC..Hα-helixtrans-59.3-46.5175.300000110.9F1074 L1080 A1191 W1198 L1199F1074-A1195 HydrophobicContact CD2-CB 3.5Å; F1074-A1195 VanDerWaalsContact CD2-CB 3.5Å; F1074-A1195 HydrophobicContact CE2-CB 3.69Å; F1074-A1195 HydrophobicContact CG-CB 4.1Å; F1074-A1195 HydrophobicContact CZ-CB 4.46Å; L1080-A1195 HydrophobicContact CD1-CB 4.25Å; A1191-A1195 WeakPolarHBondContact O-CB 3.36Å; A1191-A1195 PolarHBondContact O-N 2.82Å; A1195-W1198 WeakPolarHBondContact O-CB 3.23Å; A1195-W1198 PolarHBondContact O-N 3.13Å; A1195-L1199 WeakPolarHBondContact O-CG 3.43Å; A1195-L1199 PolarHBondContact O-N 2.93Å
1196L81.7Confident73.7Confident8 Ų831.8 Ų31.84%0.04218%0.182CC..Hα-helixtrans-58.4-50.2176.5-174.7151.6000112T1192 A1193 V1194 W1198 L1199 E1200 A1217T1192-L1196 WeakPolarHBondContact O-CB 3.44Å; T1192-L1196 PolarHBondContact O-N 2.81Å; A1193-L1196 PolarHBondContact O-N 3.09Å; V1194-L1196 VanDerWaalsContact C-N 3.35Å; V1194-L1196 PolarHBondContact O-N 2.84Å; L1196-W1198 VanDerWaalsContact C-N 3.27Å; L1196-W1198 PolarHBondContact O-N 2.85Å; L1196-L1199 PolarHBondContact O-N 2.62Å; L1196-E1200 HydrophobicContact CD2-CG 4.39Å; L1196-E1200 WeakPolarHBondContact CD2-OE1 3.44Å; L1196-E1200 PolarHBondContact O-N 2.83Å; L1196-A1217 HydrophobicContact CB-CB 4.15Å; L1196-A1217 HydrophobicContact CD1-CB 4.3Å
1197A80.6Confident72.6Confident1 Ų136.3 Ų36.31%0.00820%0.202CC..Hα-helixtrans-61.8-33.117700000113.1A1193 V1194 E1200 H1201 A1239 N1240 F1243A1193-A1197 WeakPolarHBondContact O-CB 3.37Å; A1193-A1197 PolarHBondContact O-N 2.9Å; V1194-A1197 PolarHBondContact O-N 2.92Å; A1197-E1200 PolarHBondContact O-N 2.81Å; A1197-H1201 WeakPolarHBondContact O-CB 3.24Å; A1197-H1201 PolarHBondContact O-N 3.33Å; A1197-A1239 HydrophobicContact CB-CB 3.84Å; A1197-N1240 WeakPolarHBondContact CA-OD1 3.4Å; A1197-N1240 WeakPolarHBondContact CB-OD1 3.41Å; A1197-F1243 HydrophobicContact CB-CD2 3.75Å; A1197-F1243 HydrophobicContact CB-CE2 3.79Å
1198W81.8Confident71.4Confident17 Ų1738.4 Ų38.46%0.06421%0.214CC..Hα-helixtrans-68.7-43.4174.1-173.173.9000112.2P1063 L1067 I1084 V1194 A1195 L1196 E1200 H1201 S1202 S1203 W1210 F1243P1063-W1198 HydrophobicContact CB-CH2 3.35Å; P1063-W1198 HydrophobicContact CB-CZ2 4.15Å; P1063-W1198 HydrophobicContact CB-CZ3 4.03Å; P1063-W1198 HydrophobicContact CG-CH2 4.25Å; L1067-W1198 HydrophobicContact CD1-CE3 3.55Å; L1067-W1198 HydrophobicContact CD1-CZ3 3.56Å; I1084-W1198 HydrophobicContact CB-CB 4.45Å; I1084-W1198 HydrophobicContact CB-CD2 3.81Å; I1084-W1198 HydrophobicContact CB-CE3 4.37Å; I1084-W1198 HydrophobicContact CB-CG 3.79Å; I1084-W1198 HydrophobicContact CG2-CB 4.12Å; I1084-W1198 HydrophobicContact CG2-CD2 3.65Å; I1084-W1198 HydrophobicContact CG2-CE3 3.76Å; I1084-W1198 HydrophobicContact CG2-CG 3.79Å; I1084-W1198 HydrophobicContact CG2-CZ3 4.49Å; I1084-W1198 PolarHBondContact O-NE1 3.06Å; V1194-W1198 WeakPolarHBondContact O-CB 3.49Å; V1194-W1198 PolarHBondContact O-N 2.76Å; A1195-W1198 WeakPolarHBondContact O-CB 3.23Å; A1195-W1198 PolarHBondContact O-N 3.13Å; L1196-W1198 VanDerWaalsContact C-N 3.27Å; L1196-W1198 PolarHBondContact O-N 2.85Å; W1198-E1200 PolarHBondContact O-N 2.98Å; W1198-H1201 PolarHBondContact O-N 2.85Å; W1198-S1202 VanDerWaalsContact CD1-OG 3.32Å; W1198-S1202 PolarHBondContact NE1-OG 3.02Å; W1198-S1202 VanDerWaalsContact NE1-OG 3.14Å; W1198-S1202 PolarHBondContact O-N 3.33Å; W1198-S1203 PolarHBondContact O-OG 2.83Å; W1198-W1210 HydrophobicContact CD2-CZ3 4.48Å; W1198-W1210 HydrophobicContact CE3-CH2 4.43Å; W1198-W1210 AromaticContact CE3-CZ3 3.7Å; W1198-W1210 HydrophobicContact CE3-CZ3 3.7Å; W1198-W1210 AromaticContact CH2-CH2 3.39Å; W1198-W1210 HydrophobicContact CH2-CH2 3.39Å; W1198-W1210 AromaticContact CH2-CZ3 3.53Å; W1198-W1210 HydrophobicContact CH2-CZ3 3.53Å; W1198-W1210 HydrophobicContact CZ2-CH2 4.2Å; W1198-W1210 HydrophobicContact CZ2-CZ3 4.36Å; W1198-W1210 HydrophobicContact CZ3-CE3 4.29Å; W1198-W1210 AromaticContact CZ3-CH2 3.58Å; W1198-W1210 HydrophobicContact CZ3-CH2 3.58Å; W1198-W1210 AromaticContact CZ3-CZ3 3.19Å; W1198-W1210 HydrophobicContact CZ3-CZ3 3.19Å; W1198-F1243 HydrophobicContact CB-CE1 4.23Å; W1198-F1243 HydrophobicContact CB-CE2 3.97Å; W1198-F1243 HydrophobicContact CB-CZ 3.61Å; W1198-F1243 AromaticContact CD1-CE1 3.54Å; W1198-F1243 AromaticContact CD1-CZ 3.8Å; W1198-F1243 HydrophobicContact CG-CE1 4.28Å; W1198-F1243 HydrophobicContact CG-CZ 4.1Å
1199L74.6Confident70.5Confident9 Ų937.2 Ų37.25%0.04721%0.207CC..Hα-helixtrans-63.9-27.1175.8-61.8163.3000112.2L1067 A1195 L1196 S1203 W1210 V1213 A1214L1067-L1199 HydrophobicContact CD1-CD2 3.61Å; L1067-L1199 HydrophobicContact CD1-CG 4.17Å; A1195-L1199 WeakPolarHBondContact O-CG 3.43Å; A1195-L1199 PolarHBondContact O-N 2.93Å; L1196-L1199 PolarHBondContact O-N 2.62Å; L1199-S1203 WeakPolarHBondContact O-CB 3.43Å; L1199-S1203 PolarHBondContact O-OG 2.82Å; L1199-W1210 HydrophobicContact CB-CE3 4.02Å; L1199-W1210 HydrophobicContact CD2-CB 4.45Å; L1199-W1210 HydrophobicContact CD2-CD2 4.17Å; L1199-W1210 HydrophobicContact CD2-CE3 3.27Å; L1199-W1210 HydrophobicContact CD2-CZ3 3.85Å; L1199-W1210 HydrophobicContact CG-CE3 4.16Å; L1199-V1213 HydrophobicContact CD1-CB 4.07Å; L1199-V1213 HydrophobicContact CD1-CG1 3.89Å; L1199-V1213 HydrophobicContact CD2-CB 4.33Å; L1199-V1213 HydrophobicContact CD2-CG1 4.25Å; L1199-A1214 HydrophobicContact CB-CB 4.38Å; L1199-A1214 HydrophobicContact CD1-CB 4.06Å
1200E73.4Confident69.9Low114 Ų11437.6 Ų37.653%0.53321%0.209SC..Hα-helixtrans-77.1-35174-73.1-179.8172.200112.7L1196 A1197 W1198 N1240L1196-E1200 HydrophobicContact CD2-CG 4.39Å; L1196-E1200 WeakPolarHBondContact CD2-OE1 3.44Å; L1196-E1200 PolarHBondContact O-N 2.83Å; A1197-E1200 PolarHBondContact O-N 2.81Å; W1198-E1200 PolarHBondContact O-N 2.98Å; E1200-N1240 PolarHBondContact OE2-ND2 3.47Å
1201H68.9Low69.3Low86 Ų8640.3 Ų40.340%0.39822%0.222SC..Hα-helixtrans-104.4-30.1-163.8-156.686.6000115.7A1197 W1198 F1243 R1247A1197-H1201 WeakPolarHBondContact O-CB 3.24Å; A1197-H1201 PolarHBondContact O-N 3.33Å; W1198-H1201 PolarHBondContact O-N 2.85Å; H1201-F1243 HydrophobicContact CB-CB 4.49Å; H1201-F1243 PolarHBondContact NE2-O 2.92Å; H1201-R1247 WeakPolarHBondContact NE2-CD 3.44Å; H1201-R1247 WeakPolarHBondContact NE2-CG 3.3Å; H1201-R1247 PolarHBondContact NE2-NE 3.3Å; H1201-R1247 PolarHBondContact NE2-NH1 3.47Å
1202S61.3Low68.7Low58 Ų5840.9 Ų40.941%0.40622%0.224SC..SBendtrans-95.11.8-173.2-59.70000114.2W1198W1198-S1202 VanDerWaalsContact CD1-OG 3.32Å; W1198-S1202 PolarHBondContact NE1-OG 3.02Å; W1198-S1202 VanDerWaalsContact NE1-OG 3.14Å; W1198-S1202 PolarHBondContact O-N 3.33Å
1203S55Low68.3Low4 Ų441.1 Ų41.13%0.02823%0.226CC..  trans-135-1.7-139.6-46.20000115.6W1198 L1199 S1205 Y1206 W1210W1198-S1203 PolarHBondContact O-OG 2.83Å; L1199-S1203 WeakPolarHBondContact O-CB 3.43Å; L1199-S1203 PolarHBondContact O-OG 2.82Å; S1203-S1205 PolarHBondContact O-N 2.97Å; S1203-Y1206 PolarHBondContact O-N 2.91Å; S1203-W1210 VanDerWaalsContact CB-CZ3 3.49Å; S1203-W1210 VanDerWaalsContact OG-CH2 3.28Å; S1203-W1210 WeakPolarHBondContact OG-CH2 3.33Å; S1203-W1210 WeakPolarHBondContact OG-CZ3 3.33Å
1204A54.5Low67.8Low91 Ų9142.1 Ų42.175%0.75223%0.234SC*.THydrogen-bonded Turntrans-59.1-18.1-167.400000114.9Y1206A1204-Y1206 VanDerWaalsContact C-N 3.32Å
1205S46.1Very low67.3Low97 Ų9743.2 Ų43.268%0.67824%0.243SC*.THydrogen-bonded Turntrans-73.7-16.9174.850.40000114.8S1203S1203-S1205 PolarHBondContact O-N 2.97Å
1206Y53.1Low66.9Low73 Ų7343.8 Ų43.829%0.28625%0.246SC..SBendtrans-127.911.7-170.8-67.7-72.9000113.2S1203 A1204 T1208 E1209 W1210S1203-Y1206 PolarHBondContact O-N 2.91Å; A1204-Y1206 VanDerWaalsContact C-N 3.32Å; Y1206-T1208 VanDerWaalsContact C-N 3.28Å; Y1206-T1208 PolarHBondContact O-N 2.9Å; Y1206-E1209 WeakPolarHBondContact CD1-OE2 3.43Å; Y1206-E1209 PolarHBondContact O-N 3.32Å; Y1206-W1210 AromaticContact CG-NE1 3.99Å
1207F54.1Low66.7Low129 Ų12943.4 Ų43.457%0.56624%0.244SC*.Hα-helixtrans-27.2-53.1-172.1-178.7-101.9000116.4E1209 W1210 E1211F1207-E1209 PolarHBondContact O-N 2.7Å; F1207-W1210 PolarHBondContact O-N 2.83Å; F1207-W1210 VanDerWaalsContact O-N 3.08Å; F1207-E1211 WeakPolarHBondContact CE1-OE2 3.48Å; F1207-E1211 HydrophobicContact CZ-CG 4.31Å; F1207-E1211 PolarHBondContact O-N 3.09Å; F1207-E1211 VanDerWaalsContact O-N 3.09Å
1208T53.6Low66.6Low68 Ų6844.9 Ų44.942%0.41725%0.254SS..Hα-helixtrans-50-29.5-179.2-43.50000115.1Y1206Y1206-T1208 VanDerWaalsContact C-N 3.28Å; Y1206-T1208 PolarHBondContact O-N 2.9Å
1209E61Low66.2Low22 Ų2245.6 Ų45.610%0.10326%0.258CS..Hα-helixtrans-96.7-18.1-173.8-60.3167.1123.600112.8P517 Y1061 L1064 Q1068 Y1206 F1207P517-E1209 WeakPolarHBondContact CB-OE1 3.47Å; P517-E1209 VanDerWaalsContact CG-OE1 3.24Å; P517-E1209 WeakPolarHBondContact CG-OE1 3.31Å; Y1061-E1209 WeakPolarHBondContact CE2-OE1 3.37Å; Y1061-E1209 PolarHBondContact OH-OE1 2.78Å; L1064-E1209 HydrophobicContact CD1-CB 4.14Å; Q1068-E1209 PolarHBondContact NE2-O 2.76Å; Y1206-E1209 WeakPolarHBondContact CD1-OE2 3.43Å; Y1206-E1209 PolarHBondContact O-N 3.32Å; F1207-E1209 PolarHBondContact O-N 2.7Å
1210W69.6Low66.4Low10 Ų1046.7 Ų46.74%0.03826%0.262CS..Hα-helixtrans-99.2-28.7-175.5-59.257.2000111.2L1064 W1198 L1199 S1203 Y1206 F1207 L1212 V1213 A1214L1064-W1210 HydrophobicContact CB-CZ2 4.24Å; L1064-W1210 HydrophobicContact CD1-CD2 4.32Å; L1064-W1210 HydrophobicContact CD1-CG 4.38Å; L1064-W1210 HydrophobicContact CD1-CZ2 4.04Å; L1064-W1210 HydrophobicContact CD2-CD2 4.3Å; L1064-W1210 HydrophobicContact CD2-CG 4.24Å; L1064-W1210 HydrophobicContact CG-CD2 3.83Å; L1064-W1210 HydrophobicContact CG-CG 4.14Å; L1064-W1210 HydrophobicContact CG-CH2 4.46Å; L1064-W1210 HydrophobicContact CG-CZ2 3.76Å; W1198-W1210 HydrophobicContact CD2-CZ3 4.48Å; W1198-W1210 HydrophobicContact CE3-CH2 4.43Å; W1198-W1210 AromaticContact CE3-CZ3 3.7Å; W1198-W1210 HydrophobicContact CE3-CZ3 3.7Å; W1198-W1210 AromaticContact CH2-CH2 3.39Å; W1198-W1210 HydrophobicContact CH2-CH2 3.39Å; W1198-W1210 AromaticContact CH2-CZ3 3.53Å; W1198-W1210 HydrophobicContact CH2-CZ3 3.53Å; W1198-W1210 HydrophobicContact CZ2-CH2 4.2Å; W1198-W1210 HydrophobicContact CZ2-CZ3 4.36Å; W1198-W1210 HydrophobicContact CZ3-CE3 4.29Å; W1198-W1210 AromaticContact CZ3-CH2 3.58Å; W1198-W1210 HydrophobicContact CZ3-CH2 3.58Å; W1198-W1210 AromaticContact CZ3-CZ3 3.19Å; W1198-W1210 HydrophobicContact CZ3-CZ3 3.19Å; L1199-W1210 HydrophobicContact CB-CE3 4.02Å; L1199-W1210 HydrophobicContact CD2-CB 4.45Å; L1199-W1210 HydrophobicContact CD2-CD2 4.17Å; L1199-W1210 HydrophobicContact CD2-CE3 3.27Å; L1199-W1210 HydrophobicContact CD2-CZ3 3.85Å; L1199-W1210 HydrophobicContact CG-CE3 4.16Å; S1203-W1210 VanDerWaalsContact CB-CZ3 3.49Å; S1203-W1210 VanDerWaalsContact OG-CH2 3.28Å; S1203-W1210 WeakPolarHBondContact OG-CH2 3.33Å; S1203-W1210 WeakPolarHBondContact OG-CZ3 3.33Å; Y1206-W1210 AromaticContact CG-NE1 3.99Å; F1207-W1210 PolarHBondContact O-N 2.83Å; F1207-W1210 VanDerWaalsContact O-N 3.08Å; W1210-L1212 PolarHBondContact O-N 2.8Å; W1210-V1213 CarbonylContact O-C 3.55Å; W1210-V1213 WeakPolarHBondContact O-CA 3.42Å; W1210-V1213 VanDerWaalsContact O-CB 3.29Å; W1210-V1213 WeakPolarHBondContact O-CB 3.22Å; W1210-V1213 PolarHBondContact O-N 3.05Å; W1210-A1214 PolarHBondContact O-N 2.78Å
1211E70.6Confident66.7Low57 Ų5741.4 Ų41.427%0.26624%0.237SC..Hα-helixtrans-56.4-41.9-176.6-171.9-177.9157.500113.5K524 F1207 V1213 A1214 A1215K524-E1211 WeakPolarHBondContact CE-OE1 3.44Å; K524-E1211 WeakPolarHBondContact CE-OE2 3.08Å; K524-E1211 IonicContact NZ-OE1 3.3Å; K524-E1211 PolarHBondContact NZ-OE1 3.09Å; K524-E1211 IonicContact NZ-OE2 2.76Å; K524-E1211 PolarHBondContact NZ-OE2 3Å; F1207-E1211 WeakPolarHBondContact CE1-OE2 3.48Å; F1207-E1211 HydrophobicContact CZ-CG 4.31Å; F1207-E1211 PolarHBondContact O-N 3.09Å; F1207-E1211 VanDerWaalsContact O-N 3.09Å; E1211-V1213 VanDerWaalsContact C-N 3.29Å; E1211-V1213 PolarHBondContact O-N 2.94Å; E1211-A1214 PolarHBondContact O-N 2.93Å; E1211-A1215 VanDerWaalsContact O-CB 3.27Å; E1211-A1215 WeakPolarHBondContact O-CB 3.36Å; E1211-A1215 PolarHBondContact O-N 2.84Å
1212L70.8Confident67Low12 Ų1240.3 Ų40.36%0.06323%0.234CC..Hα-helixtrans-66.4-30.7173.9-67177.7000112.4I520 L523 K524 W1210 K1216I520-L1212 HydrophobicContact CG2-CD1 4.29Å; L523-L1212 HydrophobicContact CD2-CD1 4.09Å; K524-L1212 HydrophobicContact CB-CD1 4.38Å; W1210-L1212 PolarHBondContact O-N 2.8Å; L1212-K1216 WeakPolarHBondContact O-CB 3.16Å; L1212-K1216 WeakPolarHBondContact O-CG 3.43Å; L1212-K1216 PolarHBondContact O-N 2.82Å
1213V74.6Confident67.5Low6 Ų641.6 Ų41.64%0.03625%0.249CC..Hα-helixtrans-75.5-42.3176.9-164.70000110.5L1067 Q1068 F1074 L1199 W1210 E1211 K1216 A1217L1067-V1213 HydrophobicContact CB-CG1 4.1Å; Q1068-V1213 HydrophobicContact CG-CG2 3.45Å; Q1068-V1213 VanDerWaalsContact CG-CG2 3.45Å; F1074-V1213 HydrophobicContact CZ-CG1 4.26Å; L1199-V1213 HydrophobicContact CD1-CB 4.07Å; L1199-V1213 HydrophobicContact CD1-CG1 3.89Å; L1199-V1213 HydrophobicContact CD2-CB 4.33Å; L1199-V1213 HydrophobicContact CD2-CG1 4.25Å; W1210-V1213 CarbonylContact O-C 3.55Å; W1210-V1213 WeakPolarHBondContact O-CA 3.42Å; W1210-V1213 VanDerWaalsContact O-CB 3.29Å; W1210-V1213 WeakPolarHBondContact O-CB 3.22Å; W1210-V1213 PolarHBondContact O-N 3.05Å; E1211-V1213 VanDerWaalsContact C-N 3.29Å; E1211-V1213 PolarHBondContact O-N 2.94Å; V1213-K1216 PolarHBondContact O-N 2.69Å; V1213-A1217 WeakPolarHBondContact O-CB 3.43Å; V1213-A1217 PolarHBondContact O-N 3.05Å
1214A73.1Confident68.5Low22 Ų2243.1 Ų43.118%0.18226%0.255CS..Hα-helixtrans-66-39175.600000111.3L1199 W1210 E1211 A1217 S1218L1199-A1214 HydrophobicContact CB-CB 4.38Å; L1199-A1214 HydrophobicContact CD1-CB 4.06Å; W1210-A1214 PolarHBondContact O-N 2.78Å; E1211-A1214 PolarHBondContact O-N 2.93Å; A1214-A1217 PolarHBondContact O-N 3.03Å; A1214-S1218 VanDerWaalsContact O-CB 3.32Å; A1214-S1218 WeakPolarHBondContact O-CB 3.47Å; A1214-S1218 PolarHBondContact O-N 2.81Å
1215A72.2Confident69.1Low23 Ų2346.2 Ų46.219%0.1926%0.259CS..Hα-helixtrans-60.2-48.2170.800000111.7L349 E1211 S1218 M1219L349-A1215 HydrophobicContact CD1-CB 3.44Å; L349-A1215 VanDerWaalsContact CD1-CB 3.44Å; E1211-A1215 VanDerWaalsContact O-CB 3.27Å; E1211-A1215 WeakPolarHBondContact O-CB 3.36Å; E1211-A1215 PolarHBondContact O-N 2.84Å; A1215-S1218 WeakPolarHBondContact O-CB 3.34Å; A1215-S1218 PolarHBondContact O-N 2.85Å; A1215-M1219 WeakPolarHBondContact O-CG 3.28Å; A1215-M1219 PolarHBondContact O-N 3.26Å
1216K74.3Confident70.4Confident12 Ų1244 Ų445%0.05224%0.239CC..Hα-helixtrans-60.1-45.7174.1-83.7167.3164.4-104.50113K383 S384 L385 L1212 V1213 S1218 M1219 W1220K383-K1216 PolarHBondContact O-NZ 2.84Å; S384-K1216 VanDerWaalsContact C-CE 3.42Å; S384-K1216 WeakPolarHBondContact O-CE 3.1Å; L385-K1216 WeakPolarHBondContact O-CE 3.42Å; L385-K1216 PolarHBondContact O-NZ 2.77Å; L1212-K1216 WeakPolarHBondContact O-CB 3.16Å; L1212-K1216 WeakPolarHBondContact O-CG 3.43Å; L1212-K1216 PolarHBondContact O-N 2.82Å; V1213-K1216 PolarHBondContact O-N 2.69Å; K1216-S1218 VanDerWaalsContact C-N 3.3Å; K1216-S1218 PolarHBondContact O-N 3.08Å; K1216-M1219 WeakPolarHBondContact O-CB 3.12Å; K1216-M1219 PolarHBondContact O-N 2.92Å; K1216-M1219 VanDerWaalsContact O-N 3.14Å; K1216-W1220 HydrophobicContact CB-CD2 4.47Å; K1216-W1220 HydrophobicContact CB-CE3 4.45Å; K1216-W1220 HydrophobicContact CB-CH2 4.05Å; K1216-W1220 HydrophobicContact CB-CZ2 4.07Å; K1216-W1220 HydrophobicContact CB-CZ3 4.24Å; K1216-W1220 HydrophobicContact CD-CZ2 4.45Å; K1216-W1220 HydrophobicContact CG-CZ2 4.43Å; K1216-W1220 VanDerWaalsContact O-CD2 3.26Å; K1216-W1220 VanDerWaalsContact O-CG 3.24Å; K1216-W1220 PolarHBondContact O-N 3.39Å
1217A77.3Confident71Confident0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-58.7-44175.600000111.1F1074 T1192 L1196 V1213 A1214 W1220 L1221F1074-A1217 HydrophobicContact CE2-CB 4.09Å; T1192-A1217 HydrophobicContact CG2-CB 4.05Å; T1192-A1217 VanDerWaalsContact CG2-O 3.24Å; T1192-A1217 WeakPolarHBondContact CG2-O 3.42Å; L1196-A1217 HydrophobicContact CB-CB 4.15Å; L1196-A1217 HydrophobicContact CD1-CB 4.3Å; V1213-A1217 WeakPolarHBondContact O-CB 3.43Å; V1213-A1217 PolarHBondContact O-N 3.05Å; A1214-A1217 PolarHBondContact O-N 3.03Å; A1217-W1220 PolarHBondContact O-N 2.74Å; A1217-L1221 WeakPolarHBondContact O-CB 3.43Å; A1217-L1221 PolarHBondContact O-N 3.22Å
1218S78.1Confident71.4Confident32 Ų3240.2 Ų40.222%0.22423%0.228CC..Hα-helixtrans-63.3-43.2174.2-163.10000111.4A1214 A1215 K1216 L1221 N1222A1214-S1218 VanDerWaalsContact O-CB 3.32Å; A1214-S1218 WeakPolarHBondContact O-CB 3.47Å; A1214-S1218 PolarHBondContact O-N 2.81Å; A1215-S1218 WeakPolarHBondContact O-CB 3.34Å; A1215-S1218 PolarHBondContact O-N 2.85Å; K1216-S1218 VanDerWaalsContact C-N 3.3Å; K1216-S1218 PolarHBondContact O-N 3.08Å; S1218-L1221 PolarHBondContact O-N 3.41Å; S1218-N1222 WeakPolarHBondContact O-CB 3.48Å; S1218-N1222 PolarHBondContact O-N 2.91Å; S1218-N1222 PolarHBondContact O-ND2 3.32Å; S1218-N1222 VanDerWaalsContact O-ND2 3.13Å; S1218-N1222 PolarHBondContact O-OD1 2.81Å
1219M73.5Confident71.7Confident33 Ų3340.8 Ų40.816%0.16325%0.247CC..Hα-helixtrans-59.8-48.4175.1-75.2-177.548.900112.7R350 V386 A1215 K1216 N1222 A1223R350-M1219 HydrophobicContact CG-CE 3.87Å; R350-M1219 HydrophobicContact CG-CG 3.54Å; R350-M1219 HydrophobicContact CG-SD 3.72Å; V386-M1219 HydrophobicContact CG1-CE 3.59Å; V386-M1219 HydrophobicContact CG1-SD 3.86Å; A1215-M1219 WeakPolarHBondContact O-CG 3.28Å; A1215-M1219 PolarHBondContact O-N 3.26Å; K1216-M1219 WeakPolarHBondContact O-CB 3.12Å; K1216-M1219 PolarHBondContact O-N 2.92Å; K1216-M1219 VanDerWaalsContact O-N 3.14Å; M1219-N1222 PolarHBondContact O-N 3.15Å; M1219-A1223 WeakPolarHBondContact O-CB 3.33Å; M1219-A1223 PolarHBondContact O-N 3.09Å; M1219-A1223 VanDerWaalsContact O-N 3.12Å
1220W80.3Confident72Confident32 Ų3242.8 Ų42.812%0.12126%0.256CS..Hα-helixtrans-62.5-46.2178.5-63.5-35.7000111.1A1070 G1072 A1073 F1074 T1192 K1216 A1217 N1222 A1223 Q1224A1070-W1220 HydrophobicContact CB-CH2 3.94Å; A1070-W1220 HydrophobicContact CB-CZ3 4.21Å; G1072-W1220 WeakPolarHBondContact O-CH2 3.48Å; G1072-W1220 VanDerWaalsContact O-CZ3 3.25Å; G1072-W1220 WeakPolarHBondContact O-CZ3 3.38Å; A1073-W1220 HydrophobicContact CB-CB 4.07Å; F1074-W1220 HydrophobicContact CD2-CE3 4.41Å; F1074-W1220 HydrophobicContact CD2-CZ3 4.23Å; F1074-W1220 HydrophobicContact CE1-CZ3 4.44Å; F1074-W1220 HydrophobicContact CE2-CE3 4.2Å; F1074-W1220 AromaticContact CE2-CZ3 3.72Å; F1074-W1220 HydrophobicContact CE2-CZ3 3.72Å; F1074-W1220 AromaticContact CZ-CZ3 3.84Å; F1074-W1220 HydrophobicContact CZ-CZ3 3.84Å; T1192-W1220 HydrophobicContact CG2-CB 4.35Å; K1216-W1220 HydrophobicContact CB-CD2 4.47Å; K1216-W1220 HydrophobicContact CB-CE3 4.45Å; K1216-W1220 HydrophobicContact CB-CH2 4.05Å; K1216-W1220 HydrophobicContact CB-CZ2 4.07Å; K1216-W1220 HydrophobicContact CB-CZ3 4.24Å; K1216-W1220 HydrophobicContact CD-CZ2 4.45Å; K1216-W1220 HydrophobicContact CG-CZ2 4.43Å; K1216-W1220 VanDerWaalsContact O-CD2 3.26Å; K1216-W1220 VanDerWaalsContact O-CG 3.24Å; K1216-W1220 PolarHBondContact O-N 3.39Å; A1217-W1220 PolarHBondContact O-N 2.74Å; W1220-N1222 VanDerWaalsContact C-N 3.33Å; W1220-N1222 PolarHBondContact O-N 3.34Å; W1220-A1223 CarbonylContact O-C 3.59Å; W1220-A1223 PolarHBondContact O-N 2.81Å; W1220-A1223 VanDerWaalsContact O-N 3.09Å; W1220-Q1224 WeakPolarHBondContact O-CG 3.36Å; W1220-Q1224 PolarHBondContact O-N 2.69Å
1221L79.3Confident72.3Confident2 Ų247.1 Ų47.11%0.0128%0.279CS..Hα-helixtrans-66.3-32.7178.4-168.269.2000112.8V1189 T1192 A1193 A1217 S1218 A1223 L1232 K1236V1189-L1221 HydrophobicContact CB-CD1 4.33Å; V1189-L1221 HydrophobicContact CG1-CD1 3.83Å; V1189-L1221 VanDerWaalsContact O-CD1 3.25Å; V1189-L1221 WeakPolarHBondContact O-CD1 3.36Å; T1192-L1221 HydrophobicContact CG2-CB 4Å; T1192-L1221 HydrophobicContact CG2-CD1 4.49Å; A1193-L1221 HydrophobicContact CB-CD1 4.34Å; A1193-L1221 HydrophobicContact CB-CD2 3.99Å; A1217-L1221 WeakPolarHBondContact O-CB 3.43Å; A1217-L1221 PolarHBondContact O-N 3.22Å; S1218-L1221 PolarHBondContact O-N 3.41Å; L1221-A1223 VanDerWaalsContact C-N 3.28Å; L1221-L1232 HydrophobicContact CD2-CD1 3.78Å; L1221-L1232 HydrophobicContact CG-CD1 3.72Å; L1221-K1236 HydrophobicContact CD2-CG 4.19Å
1222N74.3Confident72.7Confident64 Ų6446 Ų4634%0.34228%0.275SS..THydrogen-bonded Turntrans-76.8-11.5173.9-63.7-14.9000113.2S1218 M1219 W1220 L1232S1218-N1222 WeakPolarHBondContact O-CB 3.48Å; S1218-N1222 PolarHBondContact O-N 2.91Å; S1218-N1222 PolarHBondContact O-ND2 3.32Å; S1218-N1222 VanDerWaalsContact O-ND2 3.13Å; S1218-N1222 PolarHBondContact O-OD1 2.81Å; M1219-N1222 PolarHBondContact O-N 3.15Å; W1220-N1222 VanDerWaalsContact C-N 3.33Å; W1220-N1222 PolarHBondContact O-N 3.34Å; N1222-L1232 VanDerWaalsContact OD1-CD2 3.3Å; N1222-L1232 WeakPolarHBondContact OD1-CD2 3.48Å
1223A72.3Confident73Confident85 Ų8548.2 Ų48.270%0.70230%0.295SS*.THydrogen-bonded Turntrans-108.93.2-179.800000113.1M1219 W1220 L1221M1219-A1223 WeakPolarHBondContact O-CB 3.33Å; M1219-A1223 PolarHBondContact O-N 3.09Å; M1219-A1223 VanDerWaalsContact O-N 3.12Å; W1220-A1223 CarbonylContact O-C 3.59Å; W1220-A1223 PolarHBondContact O-N 2.81Å; W1220-A1223 VanDerWaalsContact O-N 3.09Å; L1221-A1223 VanDerWaalsContact C-N 3.28Å
1224Q75.9Confident73.1Confident36 Ų3649.4 Ų49.417%0.16830%0.304CS..SBendtrans-95.3133.6172.9-76.5171.9-37.800110.1V1189 W1220 I1226V1189-Q1224 HydrophobicContact CG2-CB 3.84Å; V1189-Q1224 HydrophobicContact CG2-CG 4.34Å; W1220-Q1224 WeakPolarHBondContact O-CG 3.36Å; W1220-Q1224 PolarHBondContact O-N 2.69Å; Q1224-I1226 PolarHBondContact O-N 3.36Å
1225D67.6Low73.4Confident155 Ų15548.4 Ų48.483%0.82930%0.295SS*.  trans-60.4132.1164.5-65.7-56.1000109.4P1227D1225-P1227 WeakPolarHBondContact O-CD 3.35Å
1226I72.1Confident73.8Confident52 Ų5249.8 Ų49.827%0.26730%0.297SS..  trans-92.5109.6-177.6-56.2178.5000110Q1224 K1230 L1232 I1235Q1224-I1226 PolarHBondContact O-N 3.36Å; I1226-K1230 HydrophobicContact CG2-CB 4.43Å; I1226-K1230 VanDerWaalsContact CG2-O 3.29Å; I1226-K1230 WeakPolarHBondContact CG2-O 3.41Å; I1226-L1232 HydrophobicContact CD1-CB 3.78Å; I1226-L1232 HydrophobicContact CD1-CD1 4.17Å; I1226-I1235 HydrophobicContact CG2-CD1 3.48Å; I1226-I1235 VanDerWaalsContact CG2-CD1 3.48Å
1227P66.6Low74Confident27 Ų2750.8 Ų50.818%0.17531%0.308CS..G310 helixtrans-67.6167.217626.5-34.2000113F1097 E1186 D1225 G1229F1097-P1227 HydrophobicContact CD1-CG 4.44Å; F1097-P1227 HydrophobicContact CE1-CG 3.8Å; F1097-P1227 HydrophobicContact CZ-CG 4.26Å; E1186-P1227 HydrophobicContact CB-CG 4.36Å; E1186-P1227 HydrophobicContact CG-CB 3.89Å; E1186-P1227 HydrophobicContact CG-CG 3.34Å; D1225-P1227 WeakPolarHBondContact O-CD 3.35Å; P1227-G1229 PolarHBondContact O-N 3.08Å
1228E62.4Low74.1Confident95 Ų9550.9 Ų50.944%0.44431%0.309SS..G310 helixtrans595.4-175.1-58.6-173.7130.500116.1F1097 K1230F1097-E1228 HydrophobicContact CD1-CG 4.37Å; F1097-E1228 VanDerWaalsContact CD1-OE2 3.32Å; F1097-E1228 WeakPolarHBondContact CD1-OE2 3.02Å; E1228-K1230 VanDerWaalsContact C-N 3.33Å; E1228-K1230 HydrophobicContact CB-CD 4.28Å; E1228-K1230 PolarHBondContact O-N 3.16Å; E1228-K1230 IonicContact OE2-NZ 2.6Å; E1228-K1230 PolarHBondContact OE2-NZ 2.76Å
1229G59.6Low74.3Confident79 Ų7949.4 Ų49.481%0.81430%0.298SS*.G310 helixtrans70.72517500000114.5P1227P1227-G1229 PolarHBondContact O-N 3.08Å
1230K67.4Low74.5Confident65 Ų6550.3 Ų50.328%0.28330%0.304SS..  trans-84.6151.8177.9-72.7164.7176.6162.50111.2P1096 I1226 E1228 I1235P1096-K1230 PolarHBondContact O-NZ 2.82Å; I1226-K1230 HydrophobicContact CG2-CB 4.43Å; I1226-K1230 VanDerWaalsContact CG2-O 3.29Å; I1226-K1230 WeakPolarHBondContact CG2-O 3.41Å; E1228-K1230 VanDerWaalsContact C-N 3.33Å; E1228-K1230 HydrophobicContact CB-CD 4.28Å; E1228-K1230 PolarHBondContact O-N 3.16Å; E1228-K1230 IonicContact OE2-NZ 2.6Å; E1228-K1230 PolarHBondContact OE2-NZ 2.76Å; K1230-I1235 HydrophobicContact CB-CD1 4.43Å
1231D77.3Confident74.3Confident100 Ų10051.9 Ų51.954%0.53531%0.312SS..  trans-80149.9172.2-176.941.6000112.1A1233 S1234 I1235D1231-A1233 PolarHBondContact O-N 2.91Å; D1231-A1233 WeakPolarHBondContact OD2-CB 3.46Å; D1231-A1233 PolarHBondContact OD2-N 2.62Å; D1231-A1233 VanDerWaalsContact OD2-N 3.09Å; D1231-S1234 PolarHBondContact O-N 2.9Å; D1231-I1235 PolarHBondContact O-N 2.89Å
1232L78.2Confident74.3Confident35 Ų3551.9 Ų51.918%0.18331%0.312CS..Hα-helixtrans-58.3-35174.9-178.262.6000112.3L1221 N1222 I1226 I1235 K1236L1221-L1232 HydrophobicContact CD2-CD1 3.78Å; L1221-L1232 HydrophobicContact CG-CD1 3.72Å; N1222-L1232 VanDerWaalsContact OD1-CD2 3.3Å; N1222-L1232 WeakPolarHBondContact OD1-CD2 3.48Å; I1226-L1232 HydrophobicContact CD1-CB 3.78Å; I1226-L1232 HydrophobicContact CD1-CD1 4.17Å; L1232-I1235 PolarHBondContact O-N 3.08Å; L1232-K1236 HydrophobicContact CD1-CD 4.41Å; L1232-K1236 HydrophobicContact CD1-CG 4.48Å; L1232-K1236 HydrophobicContact CG-CD 4.24Å; L1232-K1236 WeakPolarHBondContact O-CG 3.39Å; L1232-K1236 PolarHBondContact O-N 3.1Å
1233A76.6Confident74.3Confident58 Ų5849.3 Ų49.348%0.47930%0.298SS..Hα-helixtrans-64.9-43.317800000111.5D1231 I1235 K1236 A1237D1231-A1233 PolarHBondContact O-N 2.91Å; D1231-A1233 WeakPolarHBondContact OD2-CB 3.46Å; D1231-A1233 PolarHBondContact OD2-N 2.62Å; D1231-A1233 VanDerWaalsContact OD2-N 3.09Å; A1233-I1235 VanDerWaalsContact C-N 3.33Å; A1233-I1235 PolarHBondContact O-N 2.98Å; A1233-K1236 PolarHBondContact O-N 3.38Å; A1233-A1237 VanDerWaalsContact O-CB 3.24Å; A1233-A1237 WeakPolarHBondContact O-CB 3.47Å; A1233-A1237 PolarHBondContact O-N 2.85Å
1234S76.9Confident74.2Confident30 Ų3049.2 Ų49.221%0.2129%0.285CS..Hα-helixtrans-61-39.9176.3-62.50000112.4D1231 A1237 A1238 V1265D1231-S1234 PolarHBondContact O-N 2.9Å; S1234-A1237 PolarHBondContact O-N 2.99Å; S1234-A1238 WeakPolarHBondContact O-CB 3.38Å; S1234-A1238 PolarHBondContact O-N 3.12Å; S1234-V1265 WeakPolarHBondContact CB-O 3.5Å; S1234-V1265 PolarHBondContact OG-O 3.44Å
1235I80Confident74Confident1 Ų149.6 Ų49.61%0.00529%0.288CS..Hα-helixtrans-68.7-44.6178.6-62.9173.7000111.1P1096 F1097 V1189 W1190 A1193 I1226 K1230 D1231 L1232 A1233 A1238 A1239P1096-I1235 HydrophobicContact CG-CG1 4.36Å; F1097-I1235 HydrophobicContact CZ-CD1 3.9Å; V1189-I1235 HydrophobicContact CG1-CD1 3.96Å; V1189-I1235 HydrophobicContact CG1-CG2 4.31Å; W1190-I1235 HydrophobicContact CE3-CG2 4.44Å; A1193-I1235 HydrophobicContact CB-CG2 3.76Å; I1226-I1235 HydrophobicContact CG2-CD1 3.48Å; I1226-I1235 VanDerWaalsContact CG2-CD1 3.48Å; K1230-I1235 HydrophobicContact CB-CD1 4.43Å; D1231-I1235 PolarHBondContact O-N 2.89Å; L1232-I1235 PolarHBondContact O-N 3.08Å; A1233-I1235 VanDerWaalsContact C-N 3.33Å; A1233-I1235 PolarHBondContact O-N 2.98Å; I1235-A1238 PolarHBondContact O-N 2.91Å; I1235-A1239 PolarHBondContact O-N 2.88Å
1236K80.3Confident74Confident52 Ų5243.5 Ų43.523%0.22626%0.255CS..Hα-helixtrans-63.7-39.7174.7-72.4179.2178.7175.40111.7L1221 L1232 A1233 A1239 N1240L1221-K1236 HydrophobicContact CD2-CG 4.19Å; L1232-K1236 HydrophobicContact CD1-CD 4.41Å; L1232-K1236 HydrophobicContact CD1-CG 4.48Å; L1232-K1236 HydrophobicContact CG-CD 4.24Å; L1232-K1236 WeakPolarHBondContact O-CG 3.39Å; L1232-K1236 PolarHBondContact O-N 3.1Å; A1233-K1236 PolarHBondContact O-N 3.38Å; K1236-A1239 PolarHBondContact O-N 2.62Å; K1236-N1240 PolarHBondContact O-N 2.88Å
1237A78.1Confident73.6Confident34 Ų3446.8 Ų46.828%0.28126%0.264SS..Hα-helixtrans-63.9-43.3174.700000112.1A1233 S1234 A1239 N1240 Q1241 V1265A1233-A1237 VanDerWaalsContact O-CB 3.24Å; A1233-A1237 WeakPolarHBondContact O-CB 3.47Å; A1233-A1237 PolarHBondContact O-N 2.85Å; S1234-A1237 PolarHBondContact O-N 2.99Å; A1237-A1239 PolarHBondContact O-N 3.26Å; A1237-N1240 PolarHBondContact O-N 3.45Å; A1237-Q1241 WeakPolarHBondContact O-CB 3.41Å; A1237-Q1241 VanDerWaalsContact O-CG 3.24Å; A1237-Q1241 WeakPolarHBondContact O-CG 3.4Å; A1237-Q1241 PolarHBondContact O-N 3.18Å; A1237-V1265 HydrophobicContact CB-CG1 3.87Å
1238A79.6Confident73.3Confident2 Ų249 Ų492%0.01727%0.272CS..Hα-helixtrans-62.7-39.4175.400000112.5W1190 S1234 I1235 Q1241 L1242 Y1260W1190-A1238 HydrophobicContact CH2-CB 4.39Å; W1190-A1238 HydrophobicContact CZ3-CB 4.14Å; S1234-A1238 WeakPolarHBondContact O-CB 3.38Å; S1234-A1238 PolarHBondContact O-N 3.12Å; I1235-A1238 PolarHBondContact O-N 2.91Å; A1238-Q1241 PolarHBondContact O-N 3.45Å; A1238-L1242 PolarHBondContact O-N 3.33Å; A1238-Y1260 PolarHBondContact O-OH 3.07Å
1239A81.8Confident73.1Confident0 Ų049.4 Ų49.40%027%0.269CS..Hα-helixtrans-66.2-41.9175.300000112.6W1190 A1193 V1194 A1197 I1235 K1236 A1237 L1242 F1243W1190-A1239 HydrophobicContact CH2-CB 4.19Å; W1190-A1239 HydrophobicContact CZ3-CB 3.86Å; A1193-A1239 HydrophobicContact CB-CB 4.02Å; A1193-A1239 WeakPolarHBondContact O-CB 3.29Å; V1194-A1239 HydrophobicContact CG2-CB 4.39Å; A1197-A1239 HydrophobicContact CB-CB 3.84Å; I1235-A1239 PolarHBondContact O-N 2.88Å; K1236-A1239 PolarHBondContact O-N 2.62Å; A1237-A1239 PolarHBondContact O-N 3.26Å; A1239-L1242 WeakPolarHBondContact O-CB 3.42Å; A1239-L1242 PolarHBondContact O-N 2.84Å; A1239-F1243 WeakPolarHBondContact O-CD2 3.23Å
1240N79.1Confident72.7Confident53 Ų5350.1 Ų50.128%0.28325%0.254SS..Hα-helixtrans-69.1-32.6174.1-86.6-26.7000112.4A1197 E1200 K1236 A1237 F1243 I1244A1197-N1240 WeakPolarHBondContact CA-OD1 3.4Å; A1197-N1240 WeakPolarHBondContact CB-OD1 3.41Å; E1200-N1240 PolarHBondContact OE2-ND2 3.47Å; K1236-N1240 PolarHBondContact O-N 2.88Å; A1237-N1240 PolarHBondContact O-N 3.45Å; N1240-F1243 PolarHBondContact O-N 3.17Å; N1240-I1244 PolarHBondContact O-N 3.07Å
1241Q75.3Confident71.9Confident65 Ų6551.7 Ų51.730%0.30426%0.263SS..Hα-helixtrans-65.3-34.5171.5-74.1170.710.800112.9A1237 A1238 F1243 I1244 I1245 Y1260A1237-Q1241 WeakPolarHBondContact O-CB 3.41Å; A1237-Q1241 VanDerWaalsContact O-CG 3.24Å; A1237-Q1241 WeakPolarHBondContact O-CG 3.4Å; A1237-Q1241 PolarHBondContact O-N 3.18Å; A1238-Q1241 PolarHBondContact O-N 3.45Å; Q1241-F1243 VanDerWaalsContact C-N 3.33Å; Q1241-F1243 PolarHBondContact O-N 2.81Å; Q1241-I1244 PolarHBondContact O-N 2.96Å; Q1241-I1245 WeakPolarHBondContact O-CD1 3.38Å; Q1241-I1245 VanDerWaalsContact O-CG1 3.29Å; Q1241-I1245 WeakPolarHBondContact O-CG1 3.2Å; Q1241-I1245 PolarHBondContact O-N 2.66Å; Q1241-Y1260 HydrophobicContact CB-CE2 4.03Å
1242L79.8Confident70.4Confident1 Ų154.1 Ų54.11%0.00528%0.276CS..Hα-helixtrans-55.5-45.4173.4161.966.1000111.6L1091 T1094 W1190 V1194 A1238 A1239 I1245 L1246L1091-L1242 HydrophobicContact CD2-CD2 3.76Å; T1094-L1242 HydrophobicContact CG2-CD1 3.87Å; W1190-L1242 HydrophobicContact CZ2-CD2 4.24Å; V1194-L1242 HydrophobicContact CG1-CD2 3.99Å; V1194-L1242 HydrophobicContact CG2-CD2 3.9Å; A1238-L1242 PolarHBondContact O-N 3.33Å; A1239-L1242 WeakPolarHBondContact O-CB 3.42Å; A1239-L1242 PolarHBondContact O-N 2.84Å; L1242-I1245 PolarHBondContact O-N 2.97Å; L1242-I1245 VanDerWaalsContact O-N 3.17Å; L1242-L1246 HydrophobicContact CD1-CD1 3.73Å; L1242-L1246 HydrophobicContact CD1-CD2 4.35Å; L1242-L1246 HydrophobicContact CD1-CG 3.77Å; L1242-L1246 HydrophobicContact CG-CD1 3.94Å; L1242-L1246 HydrophobicContact CG-CG 4.38Å; L1242-L1246 WeakPolarHBondContact O-CG 3.35Å; L1242-L1246 PolarHBondContact O-N 2.93Å
1243F73.6Confident68.9Low10 Ų1057.4 Ų57.44%0.04429%0.293CS..Hα-helixtrans-73.3-27-179.9-68.6-70.5000113.7V1086 V1194 A1197 W1198 H1201 A1239 N1240 Q1241 L1246 R1247V1086-F1243 HydrophobicContact CG2-CE1 4.16Å; V1194-F1243 HydrophobicContact CG1-CE2 4.1Å; V1194-F1243 HydrophobicContact CG1-CZ 3.95Å; V1194-F1243 WeakPolarHBondContact O-CE2 3.39Å; A1197-F1243 HydrophobicContact CB-CD2 3.75Å; A1197-F1243 HydrophobicContact CB-CE2 3.79Å; W1198-F1243 HydrophobicContact CB-CE1 4.23Å; W1198-F1243 HydrophobicContact CB-CE2 3.97Å; W1198-F1243 HydrophobicContact CB-CZ 3.61Å; W1198-F1243 AromaticContact CD1-CE1 3.54Å; W1198-F1243 AromaticContact CD1-CZ 3.8Å; W1198-F1243 HydrophobicContact CG-CE1 4.28Å; W1198-F1243 HydrophobicContact CG-CZ 4.1Å; H1201-F1243 HydrophobicContact CB-CB 4.49Å; H1201-F1243 PolarHBondContact NE2-O 2.92Å; A1239-F1243 WeakPolarHBondContact O-CD2 3.23Å; N1240-F1243 PolarHBondContact O-N 3.17Å; Q1241-F1243 VanDerWaalsContact C-N 3.33Å; Q1241-F1243 PolarHBondContact O-N 2.81Å; F1243-L1246 HydrophobicContact CD1-CD1 3.66Å; F1243-L1246 HydrophobicContact CE1-CD1 3.66Å; F1243-R1247 WeakPolarHBondContact O-CG 3.44Å; F1243-R1247 PolarHBondContact O-N 2.85Å
1244I71.1Confident67.2Low84 Ų8463.5 Ų63.543%0.43131%0.312SS..Hα-helixtrans-65.3-42.5166.9-63.7168.9000110.3N1240 Q1241 H1248N1240-I1244 PolarHBondContact O-N 3.07Å; Q1241-I1244 PolarHBondContact O-N 2.96Å; I1244-H1248 PolarHBondContact O-ND1 2.96Å
1245I69.9Low65.5Low44 Ų4467.1 Ų67.123%0.22633%0.328CS..Hα-helixtrans-68.1-45.4179.3-69.9162.1000111.4Q1241 L1242 R1247 H1248 W1249 Y1260Q1241-I1245 WeakPolarHBondContact O-CD1 3.38Å; Q1241-I1245 VanDerWaalsContact O-CG1 3.29Å; Q1241-I1245 WeakPolarHBondContact O-CG1 3.2Å; Q1241-I1245 PolarHBondContact O-N 2.66Å; L1242-I1245 PolarHBondContact O-N 2.97Å; L1242-I1245 VanDerWaalsContact O-N 3.17Å; I1245-R1247 VanDerWaalsContact C-N 3.25Å; I1245-R1247 PolarHBondContact O-N 2.95Å; I1245-H1248 PolarHBondContact O-N 2.86Å; I1245-W1249 HydrophobicContact CG2-CE3 4.07Å; I1245-W1249 PolarHBondContact O-N 3.38Å; I1245-Y1260 HydrophobicContact CD1-CD1 4.22Å; I1245-Y1260 HydrophobicContact CD1-CD2 3.34Å; I1245-Y1260 HydrophobicContact CD1-CE1 4.41Å; I1245-Y1260 HydrophobicContact CD1-CE2 3.55Å; I1245-Y1260 HydrophobicContact CD1-CG 3.68Å
1246L69.2Low63.6Low26 Ų2672.2 Ų72.214%0.13636%0.355CS..Hα-helixtrans-56.3-38.7177.9-75.1170000112.3V1086 K1090 L1242 F1243 H1248 W1249V1086-L1246 HydrophobicContact CG1-CD1 4.11Å; V1086-L1246 HydrophobicContact CG1-CD2 4.29Å; V1086-L1246 HydrophobicContact CG2-CD1 3.76Å; K1090-L1246 HydrophobicContact CD-CD2 3.52Å; L1242-L1246 HydrophobicContact CD1-CD1 3.73Å; L1242-L1246 HydrophobicContact CD1-CD2 4.35Å; L1242-L1246 HydrophobicContact CD1-CG 3.77Å; L1242-L1246 HydrophobicContact CG-CD1 3.94Å; L1242-L1246 HydrophobicContact CG-CG 4.38Å; L1242-L1246 WeakPolarHBondContact O-CG 3.35Å; L1242-L1246 PolarHBondContact O-N 2.93Å; F1243-L1246 HydrophobicContact CD1-CD1 3.66Å; F1243-L1246 HydrophobicContact CE1-CD1 3.66Å; L1246-H1248 VanDerWaalsContact C-N 3.29Å; L1246-H1248 PolarHBondContact O-N 2.72Å; L1246-W1249 WeakPolarHBondContact O-CB 3.21Å; L1246-W1249 PolarHBondContact O-N 2.97Å
1247R64.1Low62Low121 Ų12174.2 Ų74.246%0.45737%0.366SS..Hα-helixtrans-62.9-31.2176.7-76.1176.566.414213.9114.1A1035 H1201 F1243 I1245A1035-R1247 PolarHBondContact O-NH2 3.1Å; H1201-R1247 WeakPolarHBondContact NE2-CD 3.44Å; H1201-R1247 WeakPolarHBondContact NE2-CG 3.3Å; H1201-R1247 PolarHBondContact NE2-NE 3.3Å; H1201-R1247 PolarHBondContact NE2-NH1 3.47Å; F1243-R1247 WeakPolarHBondContact O-CG 3.44Å; F1243-R1247 PolarHBondContact O-N 2.85Å; I1245-R1247 VanDerWaalsContact C-N 3.25Å; I1245-R1247 PolarHBondContact O-N 2.95Å
1248H59.4Low60.4Low75 Ų7580.1 Ų80.135%0.34739%0.392SS..Hα-helixtrans-90.6-18.3176.5-61.589.5000112.5I1244 I1245 L1246 L1255I1244-H1248 PolarHBondContact O-ND1 2.96Å; I1245-H1248 PolarHBondContact O-N 2.86Å; L1246-H1248 VanDerWaalsContact C-N 3.29Å; L1246-H1248 PolarHBondContact O-N 2.72Å; H1248-L1255 HydrophobicContact CB-CD1 4.03Å
1249W58.1Low58.9Low102 Ų10285.4 Ų85.439%0.38643%0.428SS..Hα-helixtrans-65.2-43.3-179.3-165.9-65.3000112.3I1245 L1246 E1251 M1257I1245-W1249 HydrophobicContact CG2-CE3 4.07Å; I1245-W1249 PolarHBondContact O-N 3.38Å; L1246-W1249 WeakPolarHBondContact O-CB 3.21Å; L1246-W1249 PolarHBondContact O-N 2.97Å; W1249-E1251 VanDerWaalsContact C-N 3.31Å; W1249-E1251 PolarHBondContact O-N 2.7Å; W1249-M1257 HydrophobicContact CE3-SD 4.42Å; W1249-M1257 HydrophobicContact CH2-CE 4.29Å; W1249-M1257 HydrophobicContact CH2-SD 3.35Å; W1249-M1257 WeakPolarHBondContact CH2-SD 3.34Å; W1249-M1257 HydrophobicContact CZ2-SD 4.36Å; W1249-M1257 HydrophobicContact CZ3-CG 4.42Å; W1249-M1257 HydrophobicContact CZ3-SD 3.38Å; W1249-M1257 WeakPolarHBondContact CZ3-SD 3.31Å
1250D51.1Low57.3Low94 Ų9487.2 Ų87.250%0.50344%0.435SS..THydrogen-bonded Turntrans-78-14.3-175.4-78.715.6000113.2K1090 N1252K1090-D1250 IonicContact NZ-OD1 2.69Å; D1250-N1252 PolarHBondContact O-N 3.27Å
1251E49.8Very low56.1Low99 Ų9989 Ų8946%0.46344%0.444SS..THydrogen-bonded Turntrans-77.4-1.7177.2-64.2-167.2144.800113.8W1249 L1253W1249-E1251 VanDerWaalsContact C-N 3.31Å; W1249-E1251 PolarHBondContact O-N 2.7Å; E1251-L1253 HydrophobicContact CB-CD1 4.26Å; E1251-L1253 HydrophobicContact CB-CG 4.37Å; E1251-L1253 PolarHBondContact O-N 2.77Å; E1251-L1253 VanDerWaalsContact O-N 3.08Å; E1251-L1253 WeakPolarHBondContact OE2-CD1 3.2Å
1252N46.4Very low54.9Low151 Ų15186.5 Ų86.581%0.80743%0.434SS*.THydrogen-bonded Turntrans55.616.4-173.2-72.5-86.1000114.8D1250 Q1254D1250-N1252 PolarHBondContact O-N 3.27Å; N1252-Q1254 PolarHBondContact O-N 2.56Å
1253L46.2Very low53.4Low104 Ų10489.3 Ų89.355%0.54546%0.463SS..  trans-62132.3170.1-82.1166.3000109.5E1251 L1255E1251-L1253 HydrophobicContact CB-CD1 4.26Å; E1251-L1253 HydrophobicContact CB-CG 4.37Å; E1251-L1253 PolarHBondContact O-N 2.77Å; E1251-L1253 VanDerWaalsContact O-N 3.08Å; E1251-L1253 WeakPolarHBondContact OE2-CD1 3.2Å; L1253-L1255 PolarHBondContact O-N 3.04Å
1254Q41.4Very low52.1Low186 Ų18692.8 Ų92.887%0.86949%0.489SS*.  trans-74.952.1172.3-68.3-175.3-20.600111.4N1252 N1256N1252-Q1254 PolarHBondContact O-N 2.56Å; Q1254-N1256 VanDerWaalsContact C-N 3.34Å; Q1254-N1256 PolarHBondContact O-N 3.4Å
1255L42.2Very low50.6Low105 Ų10593.3 Ų93.355%0.5550%0.496SS..  trans-73.692.8171.9-147.2160.1000106.5H1248 L1253 M1257H1248-L1255 HydrophobicContact CB-CD1 4.03Å; L1253-L1255 PolarHBondContact O-N 3.04Å; L1255-M1257 PolarHBondContact O-N 3.45Å
1256N40.1Very low49.6Very low108 Ų10895.8 Ų95.858%0.57851%0.509SS*.  trans-53115.7-171.8-86.6-47000111.2Q1254 L1258 C1259Q1254-N1256 VanDerWaalsContact C-N 3.34Å; Q1254-N1256 PolarHBondContact O-N 3.4Å; N1256-L1258 HydrophobicContact CB-CB 4.4Å; N1256-L1258 HydrophobicContact CB-CD1 4.4Å; N1256-L1258 PolarHBondContact O-N 3.17Å; N1256-C1259 PolarHBondContact O-N 3.45Å
1257M45.5Very low48.6Very low94 Ų9499.5 Ų99.546%0.46353%0.529SS..G310 helixtrans-58-12177.4-65.9-165.8-71.900114W1093 W1249 L1255 C1259 Y1260W1093-M1257 HydrophobicContact CE3-SD 4.46Å; W1093-M1257 HydrophobicContact CH2-CB 3.83Å; W1093-M1257 HydrophobicContact CH2-CG 4.49Å; W1093-M1257 HydrophobicContact CH2-SD 3.99Å; W1093-M1257 HydrophobicContact CZ3-CB 4.24Å; W1093-M1257 HydrophobicContact CZ3-SD 3.84Å; W1249-M1257 HydrophobicContact CE3-SD 4.42Å; W1249-M1257 HydrophobicContact CH2-CE 4.29Å; W1249-M1257 HydrophobicContact CH2-SD 3.35Å; W1249-M1257 WeakPolarHBondContact CH2-SD 3.34Å; W1249-M1257 HydrophobicContact CZ2-SD 4.36Å; W1249-M1257 HydrophobicContact CZ3-CG 4.42Å; W1249-M1257 HydrophobicContact CZ3-SD 3.38Å; W1249-M1257 WeakPolarHBondContact CZ3-SD 3.31Å; L1255-M1257 PolarHBondContact O-N 3.45Å; M1257-C1259 PolarHBondContact O-N 2.96Å; M1257-C1259 VanDerWaalsContact O-N 3.11Å; M1257-Y1260 PolarHBondContact O-N 2.85Å
1258L44.6Very low47.7Very low158 Ų15898.3 Ų98.383%0.82753%0.533SS*.G310 helixtrans-56.6-17.3172.3-64.3167.7000114.2N1256N1256-L1258 HydrophobicContact CB-CB 4.4Å; N1256-L1258 HydrophobicContact CB-CD1 4.4Å; N1256-L1258 PolarHBondContact O-N 3.17Å
1259C47.6Very low47Very low113 Ų11399.6 Ų99.676%0.76454%0.544SS*.G310 helixtrans-91.9-9.7179-63.70000114.6N1256 M1257 N1261N1256-C1259 PolarHBondContact O-N 3.45Å; M1257-C1259 PolarHBondContact O-N 2.96Å; M1257-C1259 VanDerWaalsContact O-N 3.11Å; C1259-N1261 PolarHBondContact O-N 3.17Å
1260Y48.5Very low46.3Very low38 Ų3899.5 Ų99.515%0.14955%0.554CS.*  trans-89.697.7175.4-173.5-114.9000110.5T1094 A1238 Q1241 I1245 M1257 P1262T1094-Y1260 HydrophobicContact CG2-CD1 4.49Å; T1094-Y1260 HydrophobicContact CG2-CE1 4Å; T1094-Y1260 PolarHBondContact O-OH 3.3Å; A1238-Y1260 PolarHBondContact O-OH 3.07Å; Q1241-Y1260 HydrophobicContact CB-CE2 4.03Å; I1245-Y1260 HydrophobicContact CD1-CD1 4.22Å; I1245-Y1260 HydrophobicContact CD1-CD2 3.34Å; I1245-Y1260 HydrophobicContact CD1-CE1 4.41Å; I1245-Y1260 HydrophobicContact CD1-CE2 3.55Å; I1245-Y1260 HydrophobicContact CD1-CG 3.68Å; M1257-Y1260 PolarHBondContact O-N 2.85Å; Y1260-P1262 HydrophobicContact CD1-CB 4.44Å; Y1260-P1262 HydrophobicContact CD1-CG 4.15Å; Y1260-P1262 HydrophobicContact CE1-CB 3.71Å; Y1260-P1262 HydrophobicContact CE1-CG 3.77Å; Y1260-P1262 WeakPolarHBondContact O-CD 3.12Å
1261N54.2Low46Very low90 Ų9099.9 Ų99.948%0.48156%0.557SS.*  trans-102.795.2167.9-177.810.7000110.1C1259 G1263 S1264C1259-N1261 PolarHBondContact O-N 3.17Å; N1261-G1263 PolarHBondContact O-N 3.23Å; N1261-G1263 WeakPolarHBondContact OD1-CA 3.3Å; N1261-G1263 PolarHBondContact OD1-N 3.31Å; N1261-S1264 PolarHBondContact O-N 3.13Å; N1261-S1264 PolarHBondContact O-OG 3.45Å
1262P50.3Low45.7Very low14 Ų1499.9 Ų99.99%0.09156%0.564CS.*THydrogen-bonded Turntrans-69.810.2175.530.1-36.5000113.9Y1260Y1260-P1262 HydrophobicContact CD1-CB 4.44Å; Y1260-P1262 HydrophobicContact CD1-CG 4.15Å; Y1260-P1262 HydrophobicContact CE1-CB 3.71Å; Y1260-P1262 HydrophobicContact CE1-CG 3.77Å; Y1260-P1262 WeakPolarHBondContact O-CD 3.12Å
1263G47.2Very low45.7Very low59 Ų5996 Ų9661%0.60855%0.545SS*.THydrogen-bonded Turntrans-11013.7166.900000114.3N1261N1261-G1263 PolarHBondContact O-N 3.23Å; N1261-G1263 WeakPolarHBondContact OD1-CA 3.3Å; N1261-G1263 PolarHBondContact OD1-N 3.31Å
1264S46.8Very low45.6Very low83 Ų8395.3 Ų95.358%0.5855%0.545SS*.  trans-125.946.1174.569.10000112.8N1261N1261-S1264 PolarHBondContact O-N 3.13Å; N1261-S1264 PolarHBondContact O-OG 3.45Å
1265V39.4Very low46Very low96 Ų9687.1 Ų87.158%0.58252%0.516SS*.  trans-129.60174.9-174.70000109.2S1234 A1237S1234-V1265 WeakPolarHBondContact CB-O 3.5Å; S1234-V1265 PolarHBondContact OG-O 3.44Å; A1237-V1265 HydrophobicContact CB-CG1 3.87Å

Retrieved 1,265 of 1,265 residues in 422.6 ms (Link to these results)

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