A0A2K6BLX9_MACNE Loading...

Arrestin-C

May play a role in an as yet undefined retina-specific signal transduction. Could bind to photoactivated-phosphorylated red/green opsins.

AlphaFold DB , UniProt , Accession A0A2K6BLX9, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ARR3, Length 388 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
1M58.5Low89Confident149 Ų14958.8 Ų58.873%0.73431%0.308SS*.  0128.30-69.5-178-175.100107.9S360 D362 V364M1-S360 WeakPolarHBondContact CA-OG 3.19Å; M1-S360 PolarHBondContact N-OG 3.02Å; M1-D362 CarbonylContact C-O 3.45Å; M1-D362 WeakPolarHBondContact CA-O 3.35Å; M1-D362 HydrophobicContact CB-CB 4.48Å; M1-D362 HydrophobicContact CG-CB 3.73Å; M1-V364 HydrophobicContact CB-CG2 3.93Å; M1-V364 HydrophobicContact CG-CG2 4.1Å; M1-V364 HydrophobicContact SD-CG2 3.34Å; M1-V364 WeakPolarHBondContact SD-CG2 3.34Å
2S76.4Confident89.4Confident19 Ų1958 Ų5813%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-80.6125.1173.5162.80000107.9S360 D362 I363 V364S2-S360 PolarHBondContact N-OG 2.97Å; S2-D362 PolarHBondContact N-O 2.92Å; S2-I363 WeakPolarHBondContact O-CA 3.48Å; S2-V364 PolarHBondContact O-N 3.49Å
3K87.9Confident89.9Confident115 Ų11559.2 Ų59.250%0.532%0.324SS..EExtended strand (participates in β ladder)trans-83135.7175-68.2-173.9174.8-162.10109.9E366K3-E366 VanDerWaalsContact CE-OE1 3.26Å; K3-E366 WeakPolarHBondContact CE-OE1 3.22Å; K3-E366 IonicContact NZ-OE1 3.93Å; K3-E366 PolarHBondContact NZ-OE1 2.85Å; K3-E366 IonicContact NZ-OE2 2.68Å
4V93.4Very high90.3Very high0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-127.5133.7172.2173.10000108.3Y17 L97 L101 I363 V364 I365 E366V4-Y17 HydrophobicContact CG1-CD1 4.11Å; V4-L97 HydrophobicContact CG2-CD1 3.59Å; V4-L101 HydrophobicContact CG1-CD1 4.2Å; V4-L101 HydrophobicContact CG1-CD2 4.06Å; V4-L101 HydrophobicContact CG2-CD2 4.31Å; V4-I363 HydrophobicContact CB-CG2 3.97Å; V4-I363 HydrophobicContact CG2-CG2 3.59Å; V4-V364 PolarHBondContact N-O 2.84Å; V4-I365 CarbonylContact O-C 3.59Å; V4-I365 WeakPolarHBondContact O-CA 2.94Å; V4-E366 PolarHBondContact O-N 3.45Å
5F94.9Very high90.8Very high22 Ų2251.8 Ų51.810%0.09628%0.284CS..EExtended strand (participates in β ladder)trans-98.4131.2179-56.6-70.8000110.3Y17 L18 R21 E366 F368F5-Y17 CarbonylContact O-C 3.59Å; F5-Y17 VanDerWaalsContact O-CA 3.3Å; F5-Y17 WeakPolarHBondContact O-CA 3.4Å; F5-L18 PolarHBondContact N-O 3.41Å; F5-L18 PolarHBondContact O-N 3.38Å; F5-R21 HydrophobicContact CD2-CG 3.78Å; F5-R21 VanDerWaalsContact CE1-NH2 3.29Å; F5-R21 HydrophobicContact CE2-CG 3.95Å; F5-R21 HydrophobicContact CG-CG 4.07Å; F5-R21 HydrophobicContact CZ-CG 4.38Å; F5-E366 CarbonylContact C-O 3.54Å; F5-E366 WeakPolarHBondContact CA-O 3.25Å; F5-E366 HydrophobicContact CD1-CB 4.27Å; F5-E366 HydrophobicContact CE1-CB 4.47Å; F5-F368 HydrophobicContact CB-CB 4.28Å; F5-F368 HydrophobicContact CB-CD2 3.59Å; F5-F368 HydrophobicContact CB-CE2 4.42Å; F5-F368 HydrophobicContact CB-CG 4.35Å; F5-F368 HydrophobicContact CG-CD2 4.41Å
6K95.8Very high91.2Very high50 Ų5048.6 Ų48.622%0.21727%0.266CS..EExtended strand (participates in β ladder)trans-115.5146.2179.3179.3-169.7174-177.60110.4T8 I16 Y17 I365 E366 E367 F368K6-T8 WeakPolarHBondContact CE-OG1 3.19Å; K6-I16 CarbonylContact C-O 3.56Å; K6-I16 VanDerWaalsContact CA-O 3.3Å; K6-I16 WeakPolarHBondContact CA-O 3.25Å; K6-Y17 HydrophobicContact CB-CD1 3.84Å; K6-Y17 HydrophobicContact CB-CE1 3.78Å; K6-Y17 HydrophobicContact CD-CD1 4.39Å; K6-Y17 HydrophobicContact CD-CE1 3.49Å; K6-Y17 VanDerWaalsContact CD-CE1 3.49Å; K6-Y17 WeakPolarHBondContact CD-OH 3.38Å; K6-Y17 WeakPolarHBondContact CE-OH 3.19Å; K6-Y17 HydrophobicContact CG-CD1 3.95Å; K6-Y17 HydrophobicContact CG-CE1 3.51Å; K6-Y17 HydrophobicContact CG-CE2 4.37Å; K6-Y17 PolarHBondContact NZ-OH 2.79Å; K6-I365 HydrophobicContact CB-CG2 3.65Å; K6-I365 HydrophobicContact CD-CG2 4.16Å; K6-E366 PolarHBondContact N-O 3.48Å; K6-E367 CarbonylContact O-C 3.4Å; K6-F368 WeakPolarHBondContact O-CB 3.49Å; K6-F368 PolarHBondContact O-N 3.16Å
7K96.3Very high91.6Very high82 Ų8246.1 Ų46.136%0.35725%0.252SS..EExtended strand (participates in β ladder)trans-137.7143.7158.6-166.5172.2-179.9178.30110S15 I16 V161 R162 L163 F368K7-S15 CarbonylContact O-C 3.55Å; K7-S15 WeakPolarHBondContact O-CA 3.49Å; K7-I16 PolarHBondContact N-O 3.31Å; K7-I16 PolarHBondContact O-N 3.03Å; K7-V161 HydrophobicContact CB-CG2 4.02Å; K7-V161 HydrophobicContact CD-CG2 4.43Å; K7-V161 HydrophobicContact CG-CG2 4.03Å; K7-V161 WeakPolarHBondContact O-CG2 3.43Å; K7-R162 VanDerWaalsContact CD-O 3.26Å; K7-R162 WeakPolarHBondContact CD-O 3.4Å; K7-R162 WeakPolarHBondContact CE-O 3.44Å; K7-R162 PolarHBondContact NZ-O 3.22Å; K7-L163 HydrophobicContact CB-CD2 3.65Å; K7-L163 HydrophobicContact CB-CG 3.96Å; K7-L163 HydrophobicContact CD-CG 4.17Å; K7-F368 HydrophobicContact CB-CB 4.08Å
8T95.9Very high91.9Very high47 Ų4743.6 Ų43.629%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-112.6145.9178.3-60.70000110.8K6 L14 S15K6-T8 WeakPolarHBondContact CE-OG1 3.19Å; T8-L14 CarbonylContact C-O 3.44Å; T8-L14 WeakPolarHBondContact CA-O 3.42Å; T8-L14 WeakPolarHBondContact CG2-O 3.29Å; T8-S15 WeakPolarHBondContact CB-OG 3.11Å; T8-S15 WeakPolarHBondContact CG2-OG 3.34Å; T8-S15 PolarHBondContact OG1-OG 3.21Å
9S95.2Very high91.9Very high7 Ų742.3 Ų42.35%0.04924%0.236CC..  trans-63.8155.4172.3570000110.9N11 G12 K13 L14S9-N11 WeakPolarHBondContact CB-OD1 3.28Å; S9-N11 PolarHBondContact O-N 2.97Å; S9-N11 PolarHBondContact OG-OD1 2.82Å; S9-G12 PolarHBondContact O-N 3.38Å; S9-K13 PolarHBondContact OG-N 2.66Å; S9-L14 PolarHBondContact N-O 3.43Å; S9-L14 PolarHBondContact OG-N 3.24Å; S9-L14 VanDerWaalsContact OG-N 3.08Å; S9-L14 PolarHBondContact OG-O 2.85Å
10S92.6Very high91.9Very high107 Ų10744.7 Ų44.775%0.74824%0.244SC*.THydrogen-bonded Turntrans-61.2-28.9-178.6-52.60000113.3G12S10-G12 VanDerWaalsContact C-N 3.29Å
11N91.9Very high91.9Very high49 Ų4944.2 Ų44.226%0.26224%0.239SC..THydrogen-bonded Turntrans-81.5-2.117569.37.7000114.1S9 K13 Y43 R158 D159S9-N11 WeakPolarHBondContact CB-OD1 3.28Å; S9-N11 PolarHBondContact O-N 2.97Å; S9-N11 PolarHBondContact OG-OD1 2.82Å; N11-K13 HydrophobicContact CB-CG 4.42Å; N11-K13 PolarHBondContact O-N 2.93Å; N11-K13 WeakPolarHBondContact OD1-CB 3.39Å; N11-K13 PolarHBondContact OD1-N 2.88Å; N11-Y43 PolarHBondContact ND2-OH 3.48Å; N11-R158 PolarHBondContact N-O 3.21Å; N11-R158 PolarHBondContact ND2-O 3.02Å; N11-D159 PolarHBondContact ND2-OD1 3.47Å
12G94Very high93.5Very high49 Ų4939.5 Ų39.551%0.50522%0.216SC..SBendtrans75.4-2.3179.200000115.7S9 S10S9-G12 PolarHBondContact O-N 3.38Å; S10-G12 VanDerWaalsContact C-N 3.29Å
13K95.8Very high94.3Very high74 Ų7438.7 Ų38.732%0.32221%0.21SC..SBendtrans-87.7-14.9-169.5-59.3-56.4-168.71740114.9S9 N11 V39 D40 Y43S9-K13 PolarHBondContact OG-N 2.66Å; N11-K13 HydrophobicContact CB-CG 4.42Å; N11-K13 PolarHBondContact O-N 2.93Å; N11-K13 WeakPolarHBondContact OD1-CB 3.39Å; N11-K13 PolarHBondContact OD1-N 2.88Å; K13-V39 WeakPolarHBondContact O-CA 3.17Å; K13-D40 HydrophobicContact CB-CB 4.24Å; K13-D40 HydrophobicContact CD-CB 3.8Å; K13-D40 VanDerWaalsContact CD-OD2 3.26Å; K13-D40 WeakPolarHBondContact CD-OD2 3.33Å; K13-D40 WeakPolarHBondContact CE-OD2 3.32Å; K13-D40 IonicContact NZ-OD2 2.75Å; K13-D40 PolarHBondContact NZ-OD2 2.69Å; K13-D40 PolarHBondContact O-N 2.9Å; K13-Y43 HydrophobicContact CB-CD1 3.82Å; K13-Y43 HydrophobicContact CB-CD2 3.79Å; K13-Y43 HydrophobicContact CB-CE1 4.27Å; K13-Y43 HydrophobicContact CB-CE2 4.25Å; K13-Y43 HydrophobicContact CB-CG 3.57Å; K13-Y43 HydrophobicContact CG-CD2 3.69Å; K13-Y43 HydrophobicContact CG-CE2 4.23Å; K13-Y43 HydrophobicContact CG-CG 3.93Å
14L95.6Very high94.5Very high0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-134.7135.6-176.9-78.9153000109.7T8 S9 V37 L38 V39 Y43 L49 D159 V161T8-L14 CarbonylContact C-O 3.44Å; T8-L14 WeakPolarHBondContact CA-O 3.42Å; T8-L14 WeakPolarHBondContact CG2-O 3.29Å; S9-L14 PolarHBondContact N-O 3.43Å; S9-L14 PolarHBondContact OG-N 3.24Å; S9-L14 VanDerWaalsContact OG-N 3.08Å; S9-L14 PolarHBondContact OG-O 2.85Å; L14-V37 HydrophobicContact CD2-CG1 4.09Å; L14-L38 CarbonylContact C-O 3.53Å; L14-L38 WeakPolarHBondContact CA-O 3.37Å; L14-V39 HydrophobicContact CD2-CB 3.9Å; L14-V39 HydrophobicContact CD2-CG2 3.66Å; L14-V39 HydrophobicContact CG-CG2 4.2Å; L14-Y43 HydrophobicContact CD1-CD1 4.29Å; L14-Y43 HydrophobicContact CD1-CE1 3.62Å; L14-Y43 HydrophobicContact CG-CD1 4.41Å; L14-Y43 HydrophobicContact CG-CE1 4.22Å; L14-L49 HydrophobicContact CD2-CD1 3.56Å; L14-D159 WeakPolarHBondContact CD1-O 3.35Å; L14-V161 HydrophobicContact CB-CG1 4.02Å
15S97.5Very high94.3Very high7 Ų733.8 Ų33.85%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-136.8136.1171.6-56.10000111.1K7 T8 V37 L38K7-S15 CarbonylContact O-C 3.55Å; K7-S15 WeakPolarHBondContact O-CA 3.49Å; T8-S15 WeakPolarHBondContact CB-OG 3.11Å; T8-S15 WeakPolarHBondContact CG2-OG 3.34Å; T8-S15 PolarHBondContact OG1-OG 3.21Å; S15-V37 CarbonylContact O-C 3.44Å; S15-V37 WeakPolarHBondContact O-CA 3.47Å; S15-L38 PolarHBondContact N-O 2.82Å; S15-L38 PolarHBondContact O-N 2.83Å
16I97.9Very high93.9Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-104.5139.8171.8-64.7165.2000109K6 K7 L18 V37 F112 V143 V161 L163K6-I16 CarbonylContact C-O 3.56Å; K6-I16 VanDerWaalsContact CA-O 3.3Å; K6-I16 WeakPolarHBondContact CA-O 3.25Å; K7-I16 PolarHBondContact N-O 3.31Å; K7-I16 PolarHBondContact O-N 3.03Å; I16-L18 HydrophobicContact CG2-CD2 4.39Å; I16-L18 HydrophobicContact CG2-CG 4.06Å; I16-V37 HydrophobicContact CG1-CG2 4.15Å; I16-F112 HydrophobicContact CG2-CE1 4.15Å; I16-F112 HydrophobicContact CG2-CZ 4.03Å; I16-V143 HydrophobicContact CD1-CG1 4.41Å; I16-V161 HydrophobicContact CD1-CB 4.48Å; I16-V161 HydrophobicContact CD1-CG1 3.61Å; I16-V161 HydrophobicContact CD1-CG2 4.32Å; I16-V161 HydrophobicContact CG1-CG1 3.69Å; I16-L163 HydrophobicContact CB-CD1 3.54Å; I16-L163 HydrophobicContact CB-CD2 4.48Å; I16-L163 HydrophobicContact CD1-CD1 3.21Å; I16-L163 HydrophobicContact CG1-CD1 3.94Å; I16-L163 HydrophobicContact CG2-CD1 3.68Å; I16-L163 HydrophobicContact CG2-CD2 4.4Å
17Y97.6Very high93.2Very high7 Ų733.7 Ų33.73%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-120128.1174-61.1-99.4000109.9V4 F5 K6 G35 V36 L38 L105 I365V4-Y17 HydrophobicContact CG1-CD1 4.11Å; F5-Y17 CarbonylContact O-C 3.59Å; F5-Y17 VanDerWaalsContact O-CA 3.3Å; F5-Y17 WeakPolarHBondContact O-CA 3.4Å; K6-Y17 HydrophobicContact CB-CD1 3.84Å; K6-Y17 HydrophobicContact CB-CE1 3.78Å; K6-Y17 HydrophobicContact CD-CD1 4.39Å; K6-Y17 HydrophobicContact CD-CE1 3.49Å; K6-Y17 VanDerWaalsContact CD-CE1 3.49Å; K6-Y17 WeakPolarHBondContact CD-OH 3.38Å; K6-Y17 WeakPolarHBondContact CE-OH 3.19Å; K6-Y17 HydrophobicContact CG-CD1 3.95Å; K6-Y17 HydrophobicContact CG-CE1 3.51Å; K6-Y17 HydrophobicContact CG-CE2 4.37Å; K6-Y17 PolarHBondContact NZ-OH 2.79Å; Y17-G35 WeakPolarHBondContact O-CA 2.99Å; Y17-V36 PolarHBondContact N-O 2.76Å; Y17-V36 PolarHBondContact O-N 2.94Å; Y17-L38 HydrophobicContact CE2-CB 3.81Å; Y17-L38 HydrophobicContact CE2-CD2 4.44Å; Y17-L105 HydrophobicContact CD1-CD1 4.4Å; Y17-L105 HydrophobicContact CD2-CD1 3.69Å; Y17-L105 HydrophobicContact CE1-CD1 4.35Å; Y17-L105 HydrophobicContact CE1-CD2 4.05Å; Y17-L105 HydrophobicContact CE2-CD1 3.65Å; Y17-L105 HydrophobicContact CE2-CD2 4.16Å; Y17-L105 HydrophobicContact CG-CD1 4.09Å; Y17-I365 HydrophobicContact CD1-CD1 4.5Å; Y17-I365 HydrophobicContact CD1-CG2 4.32Å; Y17-I365 HydrophobicContact CE1-CD1 4.06Å; Y17-I365 HydrophobicContact CE1-CG2 4.05Å
18L96.5Very high92.6Very high0 Ų035.4 Ų35.40%021%0.206CC..EExtended strand (participates in β ladder)trans-129.6142.8177.9-67.7178.5000110.5F5 I16 K20 I33 F112 L163 V165 F368F5-L18 PolarHBondContact N-O 3.41Å; F5-L18 PolarHBondContact O-N 3.38Å; I16-L18 HydrophobicContact CG2-CD2 4.39Å; I16-L18 HydrophobicContact CG2-CG 4.06Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-I33 HydrophobicContact CD2-CG2 3.67Å; L18-F112 HydrophobicContact CD2-CE2 4.3Å; L18-F112 HydrophobicContact CD2-CZ 3.76Å; L18-L163 HydrophobicContact CD1-CD2 4.4Å; L18-V165 HydrophobicContact CD1-CG1 3.85Å; L18-F368 HydrophobicContact CD1-CE2 4.02Å
19G92.6Very high92.2Very high19 Ų1937.5 Ų37.520%0.19621%0.214CC..SBendtrans-75.6-22.6175.500000113.8
20K91.9Very high92Very high91 Ų9137.2 Ų37.240%0.39621%0.212SC..  trans-140.4156.6-175-60-179.4-177.8177.10111.1L18 F23 E31L18-K20 VanDerWaalsContact C-N 3.33Å; K20-F23 HydrophobicContact CB-CE1 4.42Å; K20-F23 HydrophobicContact CB-CZ 4.22Å; K20-E31 VanDerWaalsContact NZ-CD 3.27Å; K20-E31 IonicContact NZ-OE1 3.37Å; K20-E31 PolarHBondContact NZ-OE1 2.95Å; K20-E31 IonicContact NZ-OE2 3.27Å; K20-E31 PolarHBondContact NZ-OE2 3.36Å
21R92.3Very high91.9Very high35 Ų3534.1 Ų34.113%0.13219%0.186CC..SBendtrans-101.3-20.6168.7-57-167.6179.4117.2-5.2112.9F5 V165 R166 E367 F368 T369F5-R21 HydrophobicContact CD2-CG 3.78Å; F5-R21 VanDerWaalsContact CE1-NH2 3.29Å; F5-R21 HydrophobicContact CE2-CG 3.95Å; F5-R21 HydrophobicContact CG-CG 4.07Å; F5-R21 HydrophobicContact CZ-CG 4.38Å; R21-V165 CarbonylContact O-C 3.55Å; R21-V165 VanDerWaalsContact O-CA 3.27Å; R21-V165 WeakPolarHBondContact O-CA 3.22Å; R21-V165 WeakPolarHBondContact O-CB 3.46Å; R21-R166 PolarHBondContact O-N 3.39Å; R21-E367 PolarHBondContact NH2-O 3.49Å; R21-F368 HydrophobicContact CB-CE2 4.26Å; R21-F368 HydrophobicContact CB-CZ 4.19Å; R21-F368 HydrophobicContact CG-CD2 4.16Å; R21-F368 HydrophobicContact CG-CE2 3.66Å; R21-F368 HydrophobicContact CG-CZ 3.92Å; R21-F368 VanDerWaalsContact CZ-O 3.3Å; R21-F368 PolarHBondContact NE-O 3.18Å; R21-F368 PolarHBondContact NH2-O 3.1Å; R21-T369 PolarHBondContact NH2-O 3.31Å
22D92.3Very high92Very high49 Ų4934.3 Ų34.326%0.26219%0.19SC..EExtended strand (participates in β ladder)trans-122.2130.1-175.9-54.2-24.9000108.7R166 V168 R370D22-R166 CarbonylContact C-O 3.58Å; D22-R166 WeakPolarHBondContact CA-O 3.39Å; D22-R166 HydrophobicContact CB-CB 4.46Å; D22-R166 WeakPolarHBondContact OD1-CB 3.49Å; D22-R166 IonicContact OD1-CZ 2.99Å; D22-R166 IonicContact OD1-NE 3.61Å; D22-R166 PolarHBondContact OD1-NE 3.41Å; D22-R166 IonicContact OD1-NH2 2.79Å; D22-R166 PolarHBondContact OD1-NH2 2.66Å; D22-R166 IonicContact OD2-CZ 3.92Å; D22-R166 IonicContact OD2-NE 3.31Å; D22-R166 IonicContact OD2-NH2 2.91Å; D22-R166 PolarHBondContact OD2-NH2 3.5Å; D22-V168 HydrophobicContact CB-CG1 4.26Å; D22-V168 HydrophobicContact CB-CG2 4.31Å; D22-R370 IonicContact OD1-CZ 2.91Å; D22-R370 IonicContact OD1-NH1 2.94Å; D22-R370 IonicContact OD1-NH2 3.72Å; D22-R370 PolarHBondContact OD1-NH2 3.14Å
23F93Very high92Very high2 Ų232 Ų321%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-119.3130.7-177.6-65.9-89.4000108.9K20 E31 P32 I33 M116 V165 R166 K167 V168K20-F23 HydrophobicContact CB-CE1 4.42Å; K20-F23 HydrophobicContact CB-CZ 4.22Å; F23-E31 HydrophobicContact CB-CB 4.47Å; F23-E31 HydrophobicContact CD1-CB 4.33Å; F23-P32 WeakPolarHBondContact CD1-O 3.4Å; F23-P32 WeakPolarHBondContact CE1-O 3.36Å; F23-I33 HydrophobicContact CD1-CG1 3.88Å; F23-I33 HydrophobicContact CD2-CG1 3.96Å; F23-I33 HydrophobicContact CE1-CB 4.03Å; F23-I33 HydrophobicContact CE1-CG1 3.79Å; F23-I33 HydrophobicContact CE1-CG2 4.22Å; F23-I33 HydrophobicContact CE2-CG1 3.86Å; F23-I33 HydrophobicContact CE2-CG2 4.3Å; F23-I33 HydrophobicContact CG-CG1 3.97Å; F23-I33 HydrophobicContact CZ-CB 4.04Å; F23-I33 HydrophobicContact CZ-CG1 3.78Å; F23-I33 HydrophobicContact CZ-CG2 3.77Å; F23-M116 HydrophobicContact CB-CE 4.25Å; F23-M116 HydrophobicContact CD2-CE 4.45Å; F23-M116 HydrophobicContact CG-CE 4.45Å; F23-V165 HydrophobicContact CD2-CB 4.02Å; F23-V165 HydrophobicContact CD2-CG1 4.46Å; F23-V165 HydrophobicContact CD2-CG2 4.29Å; F23-V165 HydrophobicContact CE2-CB 3.92Å; F23-V165 HydrophobicContact CE2-CG1 3.84Å; F23-V165 HydrophobicContact CE2-CG2 4.38Å; F23-R166 PolarHBondContact N-O 2.97Å; F23-K167 CarbonylContact O-C 3.55Å; F23-K167 WeakPolarHBondContact O-CA 3.26Å; F23-V168 PolarHBondContact O-N 3.02Å
24V91.1Very high91.9Very high11 Ų1130 Ų307%0.06716%0.158CC..EExtended strand (participates in β ladder)trans-91.1127.7-166.2179.60000110.1V30 E31 V168 F170 P353V24-V30 WeakPolarHBondContact O-CA 3.47Å; V24-E31 HydrophobicContact CB-CG 4.05Å; V24-E31 PolarHBondContact N-OE2 2.68Å; V24-E31 PolarHBondContact O-N 2.89Å; V24-V168 HydrophobicContact CB-CG2 4.48Å; V24-V168 HydrophobicContact CG2-CG2 3.88Å; V24-F170 HydrophobicContact CG1-CB 3.37Å; V24-F170 HydrophobicContact CG1-CG 4.21Å; V24-P353 HydrophobicContact CB-CG 4.02Å; V24-P353 HydrophobicContact CG1-CG 3.81Å; V24-P353 HydrophobicContact CG2-CB 4.3Å; V24-P353 HydrophobicContact CG2-CG 3.32Å
25D90.2Very high91.9Very high1 Ų130 Ų301%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-87.9118.5167.5-173.9-9.2000108.5V27 V30 K167 V168 Q169 F170D25-V27 WeakPolarHBondContact OD1-CA 3.46Å; D25-V27 PolarHBondContact OD1-N 2.94Å; D25-V30 HydrophobicContact CB-CG2 4.22Å; D25-K167 HydrophobicContact CB-CG 4.25Å; D25-K167 VanDerWaalsContact OD2-CE 3.3Å; D25-K167 WeakPolarHBondContact OD2-CE 3.42Å; D25-K167 IonicContact OD2-NZ 3.82Å; D25-K167 PolarHBondContact OD2-NZ 3.4Å; D25-V168 PolarHBondContact N-O 3.45Å; D25-Q169 PolarHBondContact O-NE2 3Å; D25-F170 CarbonylContact O-C 3.55Å; D25-F170 WeakPolarHBondContact O-CA 3.32Å; D25-F170 WeakPolarHBondContact O-CB 3.49Å; D25-F170 PolarHBondContact O-N 3.35Å
26H85.4Confident91.9Very high29 Ų2929.6 Ų29.613%0.13416%0.156CC..  trans-95.49.8179-63.5-86.3000113.5D28 M29 F170H26-D28 WeakPolarHBondContact CB-OD1 3.42Å; H26-D28 PolarHBondContact O-N 2.88Å; H26-D28 VanDerWaalsContact O-N 3.13Å; H26-D28 VanDerWaalsContact O-OD1 3.08Å; H26-M29 WeakPolarHBondContact CA-O 3.49Å; H26-M29 HydrophobicContact CB-CE 3.73Å; H26-M29 HydrophobicContact CB-CG 4.28Å; H26-M29 WeakPolarHBondContact CB-O 3.34Å; H26-M29 HydrophobicContact CB-SD 4.19Å; H26-M29 PolarHBondContact N-O 3.19Å; H26-F170 AromaticContact ND1-CD1 3.39Å; H26-F170 WeakPolarHBondContact ND1-CD1 3.45Å; H26-F170 AromaticContact ND1-CE1 3.87Å
27V81.5Confident91.9Very high41 Ų4129.6 Ų29.625%0.24816%0.156CC..SBendtrans77.2-45-172.6-171.30000113.2D25 A171 I302 R304D25-V27 WeakPolarHBondContact OD1-CA 3.46Å; D25-V27 PolarHBondContact OD1-N 2.94Å; V27-A171 HydrophobicContact CG2-CB 3.99Å; V27-I302 HydrophobicContact CG2-CD1 4.34Å; V27-R304 HydrophobicContact CG1-CG 4.18Å; V27-R304 PolarHBondContact O-NH1 2.96Å
28D83.4Confident91.9Very high118 Ų11831.4 Ų31.463%0.63117%0.166SC*.SBendtrans-94-33.1179.261.1-24.3000112.9H26 T118H26-D28 WeakPolarHBondContact CB-OD1 3.42Å; H26-D28 PolarHBondContact O-N 2.88Å; H26-D28 VanDerWaalsContact O-N 3.13Å; H26-D28 VanDerWaalsContact O-OD1 3.08Å; D28-T118 WeakPolarHBondContact O-CG2 3.41Å
29M87.4Confident91.9Very high91 Ų9131.6 Ų31.645%0.44817%0.167SC..  trans-136.5164170.368.9-93.217400112.4H26H26-M29 WeakPolarHBondContact CA-O 3.49Å; H26-M29 HydrophobicContact CB-CE 3.73Å; H26-M29 HydrophobicContact CB-CG 4.28Å; H26-M29 WeakPolarHBondContact CB-O 3.34Å; H26-M29 HydrophobicContact CB-SD 4.19Å; H26-M29 PolarHBondContact N-O 3.19Å
30V90.9Very high92.1Very high2 Ų232.6 Ų32.61%0.01217%0.168CC..BIsolated β-bridgetrans-117.7137.6169.1-175.20000107.9V24 D25 Q115 M116 T118 K167V24-V30 WeakPolarHBondContact O-CA 3.47Å; D25-V30 HydrophobicContact CB-CG2 4.22Å; V30-Q115 PolarHBondContact O-NE2 3.21Å; V30-M116 HydrophobicContact CB-CB 3.99Å; V30-M116 HydrophobicContact CG1-CB 3.79Å; V30-M116 HydrophobicContact CG1-CG 4.16Å; V30-M116 HydrophobicContact CG1-SD 3.86Å; V30-M116 HydrophobicContact CG2-CB 4.4Å; V30-T118 HydrophobicContact CG2-CG2 4.27Å; V30-K167 HydrophobicContact CG1-CG 4.41Å
31E91.8Very high92.2Very high42 Ų4231.4 Ų31.420%0.19617%0.169CC..  trans-53127.1173.3-71.3-169.4143.800110K20 F23 V24K20-E31 VanDerWaalsContact NZ-CD 3.27Å; K20-E31 IonicContact NZ-OE1 3.37Å; K20-E31 PolarHBondContact NZ-OE1 2.95Å; K20-E31 IonicContact NZ-OE2 3.27Å; K20-E31 PolarHBondContact NZ-OE2 3.36Å; F23-E31 HydrophobicContact CB-CB 4.47Å; F23-E31 HydrophobicContact CD1-CB 4.33Å; V24-E31 HydrophobicContact CB-CG 4.05Å; V24-E31 PolarHBondContact N-OE2 2.68Å; V24-E31 PolarHBondContact O-N 2.89Å
32P93Very high92.3Very high53 Ų5337.5 Ų37.534%0.34420%0.199SC..  trans-65.4150.3177.325.8-32.5000111F23 D34 T113F23-P32 WeakPolarHBondContact CD1-O 3.4Å; F23-P32 WeakPolarHBondContact CE1-O 3.36Å; P32-D34 PolarHBondContact O-N 2.85Å; P32-T113 HydrophobicContact CB-CG2 3.86Å
33I95Very high92.3Very high0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-86.8100.8169.1-57.7163.6000107.9L18 F23 L53 F112 T113 L114 M116 V143 V165L18-I33 HydrophobicContact CD2-CG2 3.67Å; F23-I33 HydrophobicContact CD1-CG1 3.88Å; F23-I33 HydrophobicContact CD2-CG1 3.96Å; F23-I33 HydrophobicContact CE1-CB 4.03Å; F23-I33 HydrophobicContact CE1-CG1 3.79Å; F23-I33 HydrophobicContact CE1-CG2 4.22Å; F23-I33 HydrophobicContact CE2-CG1 3.86Å; F23-I33 HydrophobicContact CE2-CG2 4.3Å; F23-I33 HydrophobicContact CG-CG1 3.97Å; F23-I33 HydrophobicContact CZ-CB 4.04Å; F23-I33 HydrophobicContact CZ-CG1 3.78Å; F23-I33 HydrophobicContact CZ-CG2 3.77Å; I33-L53 HydrophobicContact CD1-CD1 3.71Å; I33-L53 HydrophobicContact CD1-CD2 4.15Å; I33-F112 HydrophobicContact CG2-CE2 4.16Å; I33-T113 CarbonylContact O-C 3.44Å; I33-T113 VanDerWaalsContact O-CA 3.3Å; I33-T113 WeakPolarHBondContact O-CA 3.42Å; I33-L114 HydrophobicContact CB-CB 4.3Å; I33-L114 PolarHBondContact N-O 3.44Å; I33-L114 PolarHBondContact O-N 2.81Å; I33-M116 HydrophobicContact CD1-CE 3.28Å; I33-M116 HydrophobicContact CD1-CG 4.43Å; I33-M116 HydrophobicContact CG1-CE 3.77Å; I33-V143 HydrophobicContact CD1-CG2 3.94Å; I33-V143 HydrophobicContact CG2-CG2 4.31Å; I33-V165 HydrophobicContact CD1-CG2 4.25Å
34D93.9Very high92.3Very high31 Ų3137.2 Ų37.217%0.16620%0.196CC..EExtended strand (participates in β ladder)trans-98.3135.9170.768.9-49.3000111.5P32 T95P32-D34 PolarHBondContact O-N 2.85Å; D34-T95 HydrophobicContact CB-CG2 3.9Å; D34-T95 WeakPolarHBondContact OD2-CB 3.28Å; D34-T95 WeakPolarHBondContact OD2-CG2 3.36Å; D34-T95 PolarHBondContact OD2-OG1 2.86Å
35G95.6Very high92.4Very high0 Ų045.1 Ų45.10%023%0.229CC..EExtended strand (participates in β ladder)trans-162.8-177.5-178.600000113.7Y17 P111 F112Y17-G35 WeakPolarHBondContact O-CA 2.99Å; G35-P111 WeakPolarHBondContact O-CA 3.38Å; G35-F112 VanDerWaalsContact C-CD1 3.5Å; G35-F112 PolarHBondContact N-O 2.92Å; G35-F112 WeakPolarHBondContact O-CD1 3.42Å; G35-F112 PolarHBondContact O-N 3.15Å
36V96.9Very high92.4Very high0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-133.2138.4176.9177.10000109.6Y17 Q98 L101 L102 L105 A109 Y110Y17-V36 PolarHBondContact N-O 2.76Å; Y17-V36 PolarHBondContact O-N 2.94Å; V36-Q98 HydrophobicContact CG2-CB 4.4Å; V36-Q98 HydrophobicContact CG2-CG 4.24Å; V36-L101 HydrophobicContact CB-CB 4.24Å; V36-L101 HydrophobicContact CB-CD1 4.18Å; V36-L101 HydrophobicContact CG2-CB 3.72Å; V36-L101 HydrophobicContact CG2-CD1 3.94Å; V36-L102 HydrophobicContact CG1-CD2 4.11Å; V36-L102 HydrophobicContact CG2-CD2 4.47Å; V36-L105 HydrophobicContact CG1-CD1 3.94Å; V36-A109 HydrophobicContact CG1-CB 3.7Å; V36-Y110 CarbonylContact C-O 3.58Å; V36-Y110 WeakPolarHBondContact CA-O 3.45Å
37V97.6Very high92.9Very high0 Ų050.9 Ų50.90%027%0.273CS..EExtended strand (participates in β ladder)trans-107.1125.4170.7-1730000109.4L14 S15 I16 L49 V51 A109 Y110 F112L14-V37 HydrophobicContact CD2-CG1 4.09Å; S15-V37 CarbonylContact O-C 3.44Å; S15-V37 WeakPolarHBondContact O-CA 3.47Å; I16-V37 HydrophobicContact CG1-CG2 4.15Å; V37-L49 HydrophobicContact CB-CD2 4.17Å; V37-L49 HydrophobicContact CG1-CD1 4.18Å; V37-L49 HydrophobicContact CG1-CD2 4.05Å; V37-V51 HydrophobicContact CG2-CG2 3.57Å; V37-A109 CarbonylContact O-C 3.6Å; V37-A109 WeakPolarHBondContact O-CA 3.31Å; V37-Y110 PolarHBondContact N-O 2.84Å; V37-Y110 PolarHBondContact O-N 3.19Å; V37-F112 HydrophobicContact CG2-CD1 3.66Å; V37-F112 HydrophobicContact CG2-CE1 3.67Å
38L97.6Very high93.5Very high44 Ų4452.1 Ų52.123%0.2328%0.275CS..EExtended strand (participates in β ladder)trans-96.6129.4168.5-178.969.7000108.6L14 S15 Y17 L105 N108 A109L14-L38 CarbonylContact C-O 3.53Å; L14-L38 WeakPolarHBondContact CA-O 3.37Å; S15-L38 PolarHBondContact N-O 2.82Å; S15-L38 PolarHBondContact O-N 2.83Å; Y17-L38 HydrophobicContact CE2-CB 3.81Å; Y17-L38 HydrophobicContact CE2-CD2 4.44Å; L38-L105 HydrophobicContact CD1-CB 4.47Å; L38-N108 HydrophobicContact CD1-CB 4.22Å; L38-A109 HydrophobicContact CD1-CB 4.31Å
39V97.1Very high94.1Very high4 Ų446.5 Ų46.52%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-133.4142.4-179.261.50000111.1K13 L14 P41 Y43 L44 L49 N108 Y110K13-V39 WeakPolarHBondContact O-CA 3.17Å; L14-V39 HydrophobicContact CD2-CB 3.9Å; L14-V39 HydrophobicContact CD2-CG2 3.66Å; L14-V39 HydrophobicContact CG-CG2 4.2Å; V39-P41 WeakPolarHBondContact O-CD 3.3Å; V39-Y43 HydrophobicContact CG2-CD1 4.38Å; V39-L44 HydrophobicContact CG1-CD2 3.94Å; V39-L44 HydrophobicContact CG2-CB 4.14Å; V39-L49 HydrophobicContact CG1-CD2 4.16Å; V39-N108 PolarHBondContact N-O 3.21Å; V39-N108 WeakPolarHBondContact O-CB 3.45Å; V39-Y110 HydrophobicContact CG1-CD2 3.82Å; V39-Y110 HydrophobicContact CG1-CE2 3.49Å; V39-Y110 VanDerWaalsContact CG1-CE2 3.49Å
40D95.9Very high94.6Very high40 Ų4042.3 Ų42.321%0.21423%0.225CC..  trans-67.7124.2171.7-177.7-37.3000110.3K13 E42 Y43 L44K13-D40 HydrophobicContact CB-CB 4.24Å; K13-D40 HydrophobicContact CD-CB 3.8Å; K13-D40 VanDerWaalsContact CD-OD2 3.26Å; K13-D40 WeakPolarHBondContact CD-OD2 3.33Å; K13-D40 WeakPolarHBondContact CE-OD2 3.32Å; K13-D40 IonicContact NZ-OD2 2.75Å; K13-D40 PolarHBondContact NZ-OD2 2.69Å; K13-D40 PolarHBondContact O-N 2.9Å; D40-E42 VanDerWaalsContact C-N 3.3Å; D40-E42 PolarHBondContact O-N 3.06Å; D40-E42 WeakPolarHBondContact OD1-CB 3.3Å; D40-E42 PolarHBondContact OD1-N 3.3Å; D40-Y43 CarbonylContact O-C 3.57Å; D40-Y43 WeakPolarHBondContact O-CA 3.46Å; D40-Y43 WeakPolarHBondContact O-CB 3.26Å; D40-Y43 PolarHBondContact O-N 3.32Å; D40-Y43 PolarHBondContact OD1-N 3.09Å; D40-L44 PolarHBondContact O-N 2.94Å
41P94.3Very high94.9Very high66 Ų6642.2 Ų42.243%0.42922%0.224SC..Hα-helixtrans-59.2-36-179.2-26.836.7000114.4V39 Y43 L44 K45 N108V39-P41 WeakPolarHBondContact O-CD 3.3Å; P41-Y43 VanDerWaalsContact C-N 3.28Å; P41-L44 PolarHBondContact O-N 3.2Å; P41-K45 PolarHBondContact O-N 3.08Å; P41-K45 VanDerWaalsContact O-N 3.09Å; P41-N108 HydrophobicContact CG-CB 4.32Å; P41-N108 VanDerWaalsContact CG-CG 3.41Å; P41-N108 WeakPolarHBondContact CG-ND2 3.27Å; P41-N108 VanDerWaalsContact CG-OD1 3.29Å; P41-N108 WeakPolarHBondContact CG-OD1 3.39Å
42E93.8Very high95.1Very high163 Ų16341.6 Ų41.676%0.76222%0.221SC*.Hα-helixtrans-67.8-36.4177.2-61.7-171160.400110.4D40D40-E42 VanDerWaalsContact C-N 3.3Å; D40-E42 PolarHBondContact O-N 3.06Å; D40-E42 WeakPolarHBondContact OD1-CB 3.3Å; D40-E42 PolarHBondContact OD1-N 3.3Å
43Y93Very high95.2Very high27 Ų2739 Ų3911%0.10621%0.205CC..Hα-helixtrans-68.2-40.7174-167.5-102.9000110.8N11 K13 L14 V39 D40 P41 K45 R47 C147 D159N11-Y43 PolarHBondContact ND2-OH 3.48Å; K13-Y43 HydrophobicContact CB-CD1 3.82Å; K13-Y43 HydrophobicContact CB-CD2 3.79Å; K13-Y43 HydrophobicContact CB-CE1 4.27Å; K13-Y43 HydrophobicContact CB-CE2 4.25Å; K13-Y43 HydrophobicContact CB-CG 3.57Å; K13-Y43 HydrophobicContact CG-CD2 3.69Å; K13-Y43 HydrophobicContact CG-CE2 4.23Å; K13-Y43 HydrophobicContact CG-CG 3.93Å; L14-Y43 HydrophobicContact CD1-CD1 4.29Å; L14-Y43 HydrophobicContact CD1-CE1 3.62Å; L14-Y43 HydrophobicContact CG-CD1 4.41Å; L14-Y43 HydrophobicContact CG-CE1 4.22Å; V39-Y43 HydrophobicContact CG2-CD1 4.38Å; D40-Y43 CarbonylContact O-C 3.57Å; D40-Y43 WeakPolarHBondContact O-CA 3.46Å; D40-Y43 WeakPolarHBondContact O-CB 3.26Å; D40-Y43 PolarHBondContact O-N 3.32Å; D40-Y43 PolarHBondContact OD1-N 3.09Å; P41-Y43 VanDerWaalsContact C-N 3.28Å; Y43-K45 VanDerWaalsContact C-N 3.29Å; Y43-K45 PolarHBondContact O-N 2.86Å; Y43-R47 VanDerWaalsContact CZ-NH2 3.26Å; Y43-R47 PolarHBondContact O-NE 2.91Å; Y43-R47 PolarHBondContact O-NH2 2.81Å; Y43-R47 PolarHBondContact OH-NH1 2.93Å; Y43-C147 HydrophobicContact CD1-CB 4.16Å; Y43-C147 HydrophobicContact CE1-CB 3.77Å; Y43-D159 VanDerWaalsContact OH-CB 3.28Å; Y43-D159 WeakPolarHBondContact OH-CB 3.08Å; Y43-D159 PolarHBondContact OH-O 3.32Å; Y43-D159 PolarHBondContact OH-OD1 3.06Å
44L93.9Very high95.3Very high19 Ų1939.2 Ų39.210%0.09921%0.206CC..Hα-helixtrans-71-21.9-179.4-171.559.1000113.9V39 D40 P41 G46 R47 L49 V83 Y110V39-L44 HydrophobicContact CG1-CD2 3.94Å; V39-L44 HydrophobicContact CG2-CB 4.14Å; D40-L44 PolarHBondContact O-N 2.94Å; P41-L44 PolarHBondContact O-N 3.2Å; L44-G46 PolarHBondContact O-N 3.36Å; L44-R47 PolarHBondContact O-N 3.4Å; L44-L49 HydrophobicContact CD1-CB 3.87Å; L44-V83 HydrophobicContact CD2-CB 4.2Å; L44-V83 HydrophobicContact CD2-CG1 3.9Å; L44-V83 HydrophobicContact CD2-CG2 4.42Å; L44-Y110 HydrophobicContact CD2-CE2 4.33Å
45K92.7Very high95.3Very high176 Ų17637.7 Ų37.777%0.76520%0.198SC*.THydrogen-bonded Turntrans-55.2123-173.6-166.9176-177.5178.70112.3P41 Y43 R47P41-K45 PolarHBondContact O-N 3.08Å; P41-K45 VanDerWaalsContact O-N 3.09Å; Y43-K45 VanDerWaalsContact C-N 3.29Å; Y43-K45 PolarHBondContact O-N 2.86Å; K45-R47 PolarHBondContact O-N 3.3Å
46G90.1Very high95.1Very high75 Ų7537.8 Ų37.877%0.77320%0.198SC*.THydrogen-bonded Turntrans75.73.3-179.900000114.9L44L44-G46 PolarHBondContact O-N 3.36Å
47R94.7Very high94.9Very high76 Ų7637.8 Ų37.829%0.28720%0.198SC..SBendtrans-121.7170.4177.8-67-172-71.5175.9-16.3111.1Y43 L44 K45 C147Y43-R47 VanDerWaalsContact CZ-NH2 3.26Å; Y43-R47 PolarHBondContact O-NE 2.91Å; Y43-R47 PolarHBondContact O-NH2 2.81Å; Y43-R47 PolarHBondContact OH-NH1 2.93Å; L44-R47 PolarHBondContact O-N 3.4Å; K45-R47 PolarHBondContact O-N 3.3Å; R47-C147 HydrophobicContact CB-CB 4.18Å; R47-C147 PolarHBondContact NH1-O 2.89Å
48K95.7Very high94.5Very high67 Ų6738.6 Ų38.629%0.29120%0.201SC..EExtended strand (participates in β ladder)trans-111.2143.4175.6-53-178.1-165.7148.10109.7F50 Q81 V83 C147 A148 E149K48-F50 HydrophobicContact CB-CD2 4.43Å; K48-F50 HydrophobicContact CB-CE2 3.66Å; K48-F50 HydrophobicContact CB-CZ 3.79Å; K48-F50 HydrophobicContact CD-CZ 4.04Å; K48-Q81 HydrophobicContact CB-CG 4.47Å; K48-Q81 VanDerWaalsContact CD-OE1 3.25Å; K48-V83 CarbonylContact C-O 3.59Å; K48-V83 WeakPolarHBondContact CA-O 3.35Å; K48-V83 WeakPolarHBondContact CB-O 3.47Å; K48-C147 CarbonylContact O-C 3.58Å; K48-C147 WeakPolarHBondContact O-CA 3.33Å; K48-A148 WeakPolarHBondContact CB-O 3.44Å; K48-A148 PolarHBondContact N-O 2.79Å; K48-A148 PolarHBondContact O-N 2.86Å; K48-E149 WeakPolarHBondContact CE-O 3.49Å; K48-E149 PolarHBondContact NZ-O 2.85Å
49L96.4Very high94.1Very high0 Ų037.6 Ų37.60%020%0.195CC..EExtended strand (participates in β ladder)trans-93.4123.6176.2-178.963.7000109.6L14 V37 V39 L44 V82 V83 Y110L14-L49 HydrophobicContact CD2-CD1 3.56Å; V37-L49 HydrophobicContact CB-CD2 4.17Å; V37-L49 HydrophobicContact CG1-CD1 4.18Å; V37-L49 HydrophobicContact CG1-CD2 4.05Å; V39-L49 HydrophobicContact CG1-CD2 4.16Å; L44-L49 HydrophobicContact CD1-CB 3.87Å; L49-V82 HydrophobicContact CD2-CB 4.15Å; L49-V82 HydrophobicContact CD2-CG1 4.18Å; L49-V82 HydrophobicContact CG-CB 4.23Å; L49-V82 PolarHBondContact O-N 2.83Å; L49-V83 HydrophobicContact CB-CB 3.89Å; L49-V83 HydrophobicContact CB-CG2 4.16Å; L49-V83 HydrophobicContact CD2-CG2 4.13Å; L49-V83 PolarHBondContact N-O 3.36Å; L49-V83 PolarHBondContact O-N 2.99Å; L49-Y110 HydrophobicContact CD2-CD2 4.02Å; L49-Y110 HydrophobicContact CD2-CG 4.49Å
50F96.8Very high93.3Very high4 Ų437.8 Ų37.82%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-114.7149.2176-61.3-80.9000111.5K48 T79 L80 Q81 S145 F146 A148 P151K48-F50 HydrophobicContact CB-CD2 4.43Å; K48-F50 HydrophobicContact CB-CE2 3.66Å; K48-F50 HydrophobicContact CB-CZ 3.79Å; K48-F50 HydrophobicContact CD-CZ 4.04Å; F50-T79 HydrophobicContact CB-CG2 4.31Å; F50-T79 HydrophobicContact CD1-CG2 3.91Å; F50-T79 HydrophobicContact CG-CG2 4.42Å; F50-L80 CarbonylContact C-O 3.55Å; F50-L80 WeakPolarHBondContact CA-O 3.37Å; F50-Q81 HydrophobicContact CD1-CB 3.87Å; F50-Q81 HydrophobicContact CD1-CG 4.09Å; F50-Q81 HydrophobicContact CE1-CB 3.69Å; F50-Q81 HydrophobicContact CE1-CG 3.67Å; F50-Q81 HydrophobicContact CZ-CG 4.28Å; F50-S145 VanDerWaalsContact O-CA 3.22Å; F50-S145 WeakPolarHBondContact O-CA 3.43Å; F50-S145 WeakPolarHBondContact O-CB 3.42Å; F50-S145 PolarHBondContact O-OG 3.08Å; F50-F146 HydrophobicContact CB-CD1 4.41Å; F50-F146 HydrophobicContact CB-CD2 4.37Å; F50-F146 HydrophobicContact CB-CE1 3.99Å; F50-F146 HydrophobicContact CB-CE2 3.97Å; F50-F146 HydrophobicContact CB-CZ 3.77Å; F50-F146 HydrophobicContact CD2-CD2 4.16Å; F50-F146 AromaticContact CD2-CE2 3.71Å; F50-F146 HydrophobicContact CD2-CE2 3.71Å; F50-F146 HydrophobicContact CD2-CZ 4.26Å; F50-F146 HydrophobicContact CG-CE2 4.12Å; F50-F146 HydrophobicContact CG-CZ 4.2Å; F50-F146 PolarHBondContact N-O 3.01Å; F50-F146 PolarHBondContact O-N 2.91Å; F50-A148 HydrophobicContact CD2-CB 4.31Å; F50-A148 HydrophobicContact CE2-CB 4.19Å; F50-P151 HydrophobicContact CD1-CB 4.18Å; F50-P151 HydrophobicContact CE1-CB 3.95Å; F50-P151 HydrophobicContact CE1-CG 4.39Å; F50-P151 HydrophobicContact CZ-CB 4.23Å
51V96.6Very high92.1Very high0 Ų042.7 Ų42.70%021%0.213CC..EExtended strand (participates in β ladder)trans-124.7128163.9-179.70000107.7V37 L80 V82 F112 L114 V143 K144V37-V51 HydrophobicContact CG2-CG2 3.57Å; V51-L80 PolarHBondContact N-O 2.85Å; V51-L80 PolarHBondContact O-N 2.67Å; V51-V82 HydrophobicContact CB-CG2 4.18Å; V51-V82 HydrophobicContact CG2-CG2 3.61Å; V51-F112 HydrophobicContact CB-CD2 4.46Å; V51-F112 HydrophobicContact CB-CG 4.4Å; V51-F112 HydrophobicContact CG1-CD2 3.79Å; V51-F112 HydrophobicContact CG1-CE2 3.85Å; V51-F112 HydrophobicContact CG1-CG 4.14Å; V51-F112 HydrophobicContact CG1-CZ 4.24Å; V51-F112 HydrophobicContact CG2-CB 4.35Å; V51-F112 HydrophobicContact CG2-CD1 4.08Å; V51-F112 HydrophobicContact CG2-CG 4.08Å; V51-L114 HydrophobicContact CG1-CD1 3.72Å; V51-V143 HydrophobicContact CG1-CG1 4.06Å; V51-K144 CarbonylContact C-O 3.56Å; V51-K144 WeakPolarHBondContact CA-O 3.33Å
52M96Very high90.2Very high28 Ų2845 Ų4514%0.13822%0.222CC..EExtended strand (participates in β ladder)trans-124.7130.4-175.2-177.5172.857.200109.9V77 Q78 V143 K144 F146M52-V77 HydrophobicContact CG-CG1 3.93Å; M52-V77 HydrophobicContact SD-CG1 3.76Å; M52-Q78 CarbonylContact C-O 3.55Å; M52-Q78 VanDerWaalsContact CA-O 3.27Å; M52-Q78 WeakPolarHBondContact CA-O 3.5Å; M52-V143 WeakPolarHBondContact O-CA 3.37Å; M52-K144 HydrophobicContact CE-CB 4.42Å; M52-K144 HydrophobicContact CE-CD 3.79Å; M52-K144 PolarHBondContact N-O 2.92Å; M52-K144 PolarHBondContact O-N 3.49Å; M52-F146 HydrophobicContact CB-CE1 4.26Å; M52-F146 HydrophobicContact CE-CE1 4.09Å
53L96.8Very high88.2Confident0 Ų042.7 Ų42.70%021%0.214CC..EExtended strand (participates in β ladder)trans-100125.5167.7176.265.1000108.9I33 Y76 V77 Q78 L114 M116 F141 E142 V143I33-L53 HydrophobicContact CD1-CD1 3.71Å; I33-L53 HydrophobicContact CD1-CD2 4.15Å; L53-Y76 HydrophobicContact CD2-CE1 4.16Å; L53-V77 CarbonylContact O-C 3.52Å; L53-V77 WeakPolarHBondContact O-CA 3.2Å; L53-Q78 HydrophobicContact CB-CB 4.44Å; L53-Q78 PolarHBondContact N-O 3.29Å; L53-Q78 PolarHBondContact O-N 3.13Å; L53-L114 HydrophobicContact CB-CD1 3.79Å; L53-L114 HydrophobicContact CD2-CB 4.5Å; L53-M116 HydrophobicContact CD2-CG 3.84Å; L53-F141 HydrophobicContact CD1-CD1 4.32Å; L53-E142 CarbonylContact C-O 3.58Å; L53-E142 WeakPolarHBondContact CA-O 3.38Å; L53-V143 HydrophobicContact CD1-CG2 4.18Å
54T95.3Very high85.7Confident3 Ų345.1 Ų45.12%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-124.7124175.3-55.10000110.3A56 D74 Y76 V77 F141 E142T54-A56 HydrophobicContact CG2-CB 4.3Å; T54-D74 HydrophobicContact CG2-CB 4.32Å; T54-Y76 CarbonylContact C-O 3.56Å; T54-Y76 WeakPolarHBondContact CA-O 3.48Å; T54-V77 HydrophobicContact CG2-CG2 4.21Å; T54-F141 CarbonylContact O-C 3.52Å; T54-F141 WeakPolarHBondContact O-CA 3.45Å; T54-E142 PolarHBondContact N-O 2.86Å; T54-E142 PolarHBondContact O-N 2.8Å
55C94.8Very high83Confident0 Ų053.3 Ų53.30%027%0.267CS..EExtended strand (participates in β ladder)trans-97.3119.5164.7179.30000107.7L75 Y76 L120 D140 F141C55-L75 HydrophobicContact CB-CB 4.49Å; C55-L75 PolarHBondContact O-N 3.34Å; C55-Y76 PolarHBondContact N-O 3.28Å; C55-Y76 PolarHBondContact O-N 3.05Å; C55-L120 HydrophobicContact CB-CD1 4.19Å; C55-D140 WeakPolarHBondContact CA-O 3.19Å; C55-F141 HydrophobicContact CB-CD1 3.97Å; C55-F141 HydrophobicContact CB-CE1 3.68Å; C55-F141 HydrophobicContact CB-CZ 4.04Å; C55-F141 VanDerWaalsContact SG-CZ 3.5Å
56A92.1Very high80.6Confident1 Ų148.5 Ų48.51%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-130.5134.1-177.400000111.8T54 R72 K73 D74 I139 D140T54-A56 HydrophobicContact CG2-CB 4.3Å; A56-R72 HydrophobicContact CB-CG 4.38Å; A56-K73 WeakPolarHBondContact CA-O 3.34Å; A56-D74 WeakPolarHBondContact CB-OD1 3.47Å; A56-I139 WeakPolarHBondContact O-CA 3.32Å; A56-D140 PolarHBondContact N-O 3.31Å; A56-D140 PolarHBondContact O-N 2.7Å; A56-D140 VanDerWaalsContact O-N 3.09Å
57F91.8Very high78.4Confident0 Ų053.3 Ų53.30%026%0.258CS..EExtended strand (participates in β ladder)trans-82.2133.9163.9176.8-90.4000109.3Y59 F71 R72 K73 L75 C137 G138 I139 V238 L240 I314F57-Y59 HydrophobicContact CZ-CD2 4.5Å; F57-F71 AromaticContact CD1-CD1 3.87Å; F57-F71 HydrophobicContact CD1-CD1 3.87Å; F57-F71 AromaticContact CD1-CE1 3.83Å; F57-F71 HydrophobicContact CD1-CE1 3.83Å; F57-F71 AromaticContact CE1-CD1 3.93Å; F57-F71 HydrophobicContact CE1-CD1 3.93Å; F57-F71 HydrophobicContact CE1-CE1 4.13Å; F57-R72 VanDerWaalsContact O-CA 3.31Å; F57-R72 WeakPolarHBondContact O-CA 3.42Å; F57-K73 PolarHBondContact N-O 2.81Å; F57-K73 PolarHBondContact O-N 3.27Å; F57-L75 HydrophobicContact CB-CD1 4.25Å; F57-L75 HydrophobicContact CB-CD2 4.27Å; F57-L75 HydrophobicContact CB-CG 4.33Å; F57-C137 HydrophobicContact CZ-CB 4.35Å; F57-G138 CarbonylContact C-O 3.54Å; F57-G138 WeakPolarHBondContact CA-O 3.25Å; F57-I139 HydrophobicContact CD2-CG1 3.96Å; F57-V238 HydrophobicContact CE2-CG1 4.29Å; F57-V238 HydrophobicContact CZ-CG1 4Å; F57-L240 HydrophobicContact CB-CD1 4.44Å; F57-L240 HydrophobicContact CB-CD2 4.32Å; F57-L240 HydrophobicContact CD1-CD2 3.57Å; F57-L240 HydrophobicContact CE1-CD2 3.97Å; F57-L240 HydrophobicContact CG-CD1 4.49Å; F57-L240 HydrophobicContact CG-CD2 3.94Å; F57-I314 HydrophobicContact CD2-CG1 4.38Å; F57-I314 HydrophobicContact CE2-CD1 4.2Å; F57-I314 HydrophobicContact CE2-CG1 3.83Å
58R89.9Confident76.5Confident18 Ų1852.8 Ų52.87%0.06828%0.276CS..EExtended strand (participates in β ladder)trans-124.9140.8176.1-63.3-177.4-175.8150.89.4110.1D62 F71 R72 C137 G138 D140 E142R58-D62 IonicContact NH1-OD2 2.96Å; R58-D62 PolarHBondContact NH1-OD2 3.49Å; R58-F71 CarbonylContact C-O 3.52Å; R58-F71 WeakPolarHBondContact CA-O 3.18Å; R58-R72 HydrophobicContact CG-CG 4.49Å; R58-C137 CarbonylContact O-C 3.53Å; R58-C137 WeakPolarHBondContact O-CA 3.41Å; R58-C137 WeakPolarHBondContact O-CB 3.27Å; R58-G138 PolarHBondContact N-O 3.45Å; R58-G138 PolarHBondContact O-N 3.31Å; R58-D140 IonicContact CZ-OD2 2.78Å; R58-D140 IonicContact NE-OD2 2.8Å; R58-D140 IonicContact NH1-OD2 3.47Å; R58-D140 PolarHBondContact NH1-OD2 2.74Å; R58-E142 IonicContact NH2-OE2 3.92Å; R58-E142 PolarHBondContact NH2-OE2 2.86Å
59Y87.6Confident74.7Confident23 Ų2353.3 Ų53.39%0.0928%0.282CS..EExtended strand (participates in β ladder)trans-141128.2173.8-177.7-86.3000109.6F57 T70 F71 K135 P136 C137 Y241 S242 D244F57-Y59 HydrophobicContact CZ-CD2 4.5Å; Y59-T70 CarbonylContact O-C 3.55Å; Y59-T70 WeakPolarHBondContact O-CA 3.36Å; Y59-F71 PolarHBondContact N-O 2.81Å; Y59-F71 PolarHBondContact O-N 2.84Å; Y59-K135 HydrophobicContact CD1-CB 4.31Å; Y59-K135 HydrophobicContact CD1-CD 4.38Å; Y59-K135 HydrophobicContact CE1-CB 3.8Å; Y59-K135 HydrophobicContact CE1-CD 3.85Å; Y59-K135 HydrophobicContact CE1-CG 4Å; Y59-K135 HydrophobicContact CE2-CB 4.28Å; Y59-K135 PolarHBondContact OH-N 3.13Å; Y59-P136 CarbonylContact C-O 3.58Å; Y59-C137 HydrophobicContact CD2-CB 3.65Å; Y59-C137 HydrophobicContact CE2-CB 4.46Å; Y59-C137 HydrophobicContact CG-CB 4.34Å; Y59-Y241 AromaticContact CD1-CD1 3.38Å; Y59-Y241 HydrophobicContact CD1-CD1 3.38Å; Y59-Y241 AromaticContact CD1-CE1 3.53Å; Y59-Y241 HydrophobicContact CD1-CE1 3.53Å; Y59-Y241 HydrophobicContact CD1-CG 4.38Å; Y59-Y241 HydrophobicContact CD2-CD1 4.26Å; Y59-Y241 AromaticContact CE1-CD1 3.7Å; Y59-Y241 HydrophobicContact CE1-CD1 3.7Å; Y59-Y241 AromaticContact CE1-CE1 3.67Å; Y59-Y241 HydrophobicContact CE1-CE1 3.67Å; Y59-Y241 AromaticContact CG-CD1 3.71Å; Y59-Y241 HydrophobicContact CG-CD1 3.71Å; Y59-Y241 HydrophobicContact CG-CE1 4.32Å; Y59-Y241 HydrophobicContact CG-CG 4.4Å; Y59-S242 WeakPolarHBondContact CE2-OG 3.37Å; Y59-D244 PolarHBondContact OH-OD2 3.47Å
60G81.8Confident73.7Confident7 Ų756.8 Ų56.87%0.07230%0.303CS..SBendtrans102.7172.3-166.500000112.3P136G60-P136 PolarHBondContact N-O 2.79Å
61R69.3Low73Confident144 Ų14459.5 Ų59.554%0.54332%0.315SS..  trans-90.7132.2178.5-54.8-172.2175.5175.7-0.1111.2D63 L64 T70 P136R61-D63 WeakPolarHBondContact CB-OD1 3.3Å; R61-D63 WeakPolarHBondContact CD-OD1 3.44Å; R61-D63 PolarHBondContact O-N 2.79Å; R61-L64 HydrophobicContact CB-CD1 4.25Å; R61-L64 HydrophobicContact CB-CG 4.41Å; R61-L64 HydrophobicContact CG-CD1 4.32Å; R61-T70 WeakPolarHBondContact O-CG2 3.32Å; R61-P136 HydrophobicContact CG-CG 4.09Å
62D54.6Low72.6Confident115 Ų11565.3 Ų65.362%0.61534%0.337SS*.THydrogen-bonded Turntrans-68.3-15.6176.3-77.1-7.8000113.2R58R58-D62 IonicContact NH1-OD2 2.96Å; R58-D62 PolarHBondContact NH1-OD2 3.49Å
63D51.8Low72.3Confident114 Ų11468.1 Ų68.161%0.6135%0.348SS*.THydrogen-bonded Turntrans-91.7-15-17665.3-12.4000114.6R61 E65R61-D63 WeakPolarHBondContact CB-OD1 3.3Å; R61-D63 WeakPolarHBondContact CD-OD1 3.44Å; R61-D63 PolarHBondContact O-N 2.79Å; D63-E65 PolarHBondContact O-N 2.87Å
64L42.2Very low72Confident78 Ų7871.9 Ų71.941%0.40837%0.368SS..  trans-92.398.8177.5-69.8170.6000108.4R61 V66R61-L64 HydrophobicContact CB-CD1 4.25Å; R61-L64 HydrophobicContact CB-CG 4.41Å; R61-L64 HydrophobicContact CG-CD1 4.32Å; L64-V66 HydrophobicContact CB-CG2 4.35Å; L64-V66 PolarHBondContact O-N 2.74Å
65E37Very low71.8Confident191 Ų19173.5 Ų73.589%0.89338%0.377SS*.  trans-67.741.8168.5-66.3-171.2159.400112.2D63D63-E65 PolarHBondContact O-N 2.87Å
66V41.3Very low71.7Confident75 Ų7575.9 Ų75.946%0.45539%0.386SS..  trans-98.9112.2175.3-1760000107.9L64 G68 L69L64-V66 HydrophobicContact CB-CG2 4.35Å; L64-V66 PolarHBondContact O-N 2.74Å; V66-G68 PolarHBondContact O-N 2.81Å; V66-G68 VanDerWaalsContact O-N 3.16Å; V66-L69 HydrophobicContact CB-CD1 4.02Å; V66-L69 HydrophobicContact CG1-CD1 3.81Å; V66-L69 HydrophobicContact CG1-CG 4.28Å; V66-L69 PolarHBondContact O-N 3.24Å
67I45Very low71.8Confident175 Ų17579.2 Ų79.290%0.89741%0.406SS*.THydrogen-bonded Turntrans-50.7121175-59.5173.1000108.9
68G52.9Low72Confident66 Ų6681.9 Ų81.968%0.6842%0.419SS*.THydrogen-bonded Turntrans1011.7171.500000117.3V66V66-G68 PolarHBondContact O-N 2.81Å; V66-G68 VanDerWaalsContact O-N 3.16Å
69L58.8Low72.2Confident78 Ų7883.8 Ų83.841%0.40843%0.432SS..SBendtrans-107-5.8179.7-66177000115.4V66 K135V66-L69 HydrophobicContact CB-CD1 4.02Å; V66-L69 HydrophobicContact CG1-CD1 3.81Å; V66-L69 HydrophobicContact CG1-CG 4.28Å; V66-L69 PolarHBondContact O-N 3.24Å; L69-K135 PolarHBondContact O-NZ 3.08Å
70T74.4Confident72.5Confident72 Ų7284.8 Ų84.844%0.44244%0.439SS..  trans-118.8126.7-178.857.60000110.7Y59 R61Y59-T70 CarbonylContact O-C 3.55Å; Y59-T70 WeakPolarHBondContact O-CA 3.36Å; R61-T70 WeakPolarHBondContact O-CG2 3.32Å
71F82.8Confident73.1Confident62 Ų6285.7 Ų85.727%0.27244%0.442SS..EExtended strand (participates in β ladder)trans-111.7132.5172174.2-93.9000109.2F57 R58 Y59 K73 L240 Y241F57-F71 AromaticContact CD1-CD1 3.87Å; F57-F71 HydrophobicContact CD1-CD1 3.87Å; F57-F71 AromaticContact CD1-CE1 3.83Å; F57-F71 HydrophobicContact CD1-CE1 3.83Å; F57-F71 AromaticContact CE1-CD1 3.93Å; F57-F71 HydrophobicContact CE1-CD1 3.93Å; F57-F71 HydrophobicContact CE1-CE1 4.13Å; R58-F71 CarbonylContact C-O 3.52Å; R58-F71 WeakPolarHBondContact CA-O 3.18Å; Y59-F71 PolarHBondContact N-O 2.81Å; Y59-F71 PolarHBondContact O-N 2.84Å; F71-K73 HydrophobicContact CE1-CB 3.64Å; F71-K73 HydrophobicContact CZ-CB 3.72Å; F71-K73 HydrophobicContact CZ-CD 4.25Å; F71-L240 HydrophobicContact CE1-CD2 3.54Å; F71-L240 HydrophobicContact CZ-CD2 4.08Å; F71-Y241 HydrophobicContact CB-CD2 3.76Å; F71-Y241 HydrophobicContact CB-CE1 4.49Å; F71-Y241 HydrophobicContact CB-CE2 3.7Å; F71-Y241 HydrophobicContact CB-CG 4.19Å; F71-Y241 AromaticContact CD1-CD2 3.55Å; F71-Y241 HydrophobicContact CD1-CD2 3.55Å; F71-Y241 HydrophobicContact CD1-CE2 4.31Å; F71-Y241 AromaticContact CD1-CG 3.87Å; F71-Y241 HydrophobicContact CD1-CG 3.87Å; F71-Y241 AromaticContact CD2-CD2 3.42Å; F71-Y241 HydrophobicContact CD2-CD2 3.42Å; F71-Y241 VanDerWaalsContact CD2-CD2 3.42Å; F71-Y241 AromaticContact CD2-CE2 3.48Å; F71-Y241 HydrophobicContact CD2-CE2 3.48Å; F71-Y241 VanDerWaalsContact CD2-CE2 3.48Å; F71-Y241 HydrophobicContact CD2-CG 4.48Å; F71-Y241 AromaticContact CE1-CD2 3.91Å; F71-Y241 HydrophobicContact CE1-CD2 3.91Å; F71-Y241 HydrophobicContact CE1-CG 4.35Å; F71-Y241 AromaticContact CE2-CD2 3.78Å; F71-Y241 HydrophobicContact CE2-CD2 3.78Å; F71-Y241 HydrophobicContact CE2-CE2 4.13Å; F71-Y241 AromaticContact CG-CD2 3.27Å; F71-Y241 HydrophobicContact CG-CD2 3.27Å; F71-Y241 AromaticContact CG-CE2 3.57Å; F71-Y241 HydrophobicContact CG-CE2 3.57Å; F71-Y241 AromaticContact CG-CG 3.93Å; F71-Y241 HydrophobicContact CG-CG 3.93Å; F71-Y241 AromaticContact CZ-CD2 4Å; F71-Y241 HydrophobicContact CZ-CD2 4Å
72R88Confident74.3Confident122 Ų12279.6 Ų79.646%0.4642%0.42SS..EExtended strand (participates in β ladder)trans-131.1129.1173.4177.1-179.4168166.1-2.1108.8A56 F57 R58 D74A56-R72 HydrophobicContact CB-CG 4.38Å; F57-R72 VanDerWaalsContact O-CA 3.31Å; F57-R72 WeakPolarHBondContact O-CA 3.42Å; R58-R72 HydrophobicContact CG-CG 4.49Å; R72-D74 IonicContact CZ-OD1 2.63Å; R72-D74 IonicContact NE-OD1 3.27Å; R72-D74 PolarHBondContact NE-OD1 3.02Å; R72-D74 IonicContact NH2-OD1 3.08Å; R72-D74 PolarHBondContact NH2-OD1 3.23Å; R72-D74 IonicContact NH2-OD2 2.93Å
73K89.4Confident76.1Confident86 Ų8675.4 Ų75.437%0.37440%0.399SS..EExtended strand (participates in β ladder)trans-125.9118.1171.9-175.9175.4177-1760108.9A56 F57 F71 L75 L240A56-K73 WeakPolarHBondContact CA-O 3.34Å; F57-K73 PolarHBondContact N-O 2.81Å; F57-K73 PolarHBondContact O-N 3.27Å; F71-K73 HydrophobicContact CE1-CB 3.64Å; F71-K73 HydrophobicContact CZ-CB 3.72Å; F71-K73 HydrophobicContact CZ-CD 4.25Å; K73-L75 HydrophobicContact CD-CD2 4.31Å; K73-L75 HydrophobicContact CG-CD2 4.2Å; K73-L75 PolarHBondContact O-N 3.2Å; K73-L240 HydrophobicContact CB-CD2 4.17Å; K73-L240 HydrophobicContact CD-CD1 4.16Å; K73-L240 HydrophobicContact CD-CD2 3.64Å; K73-L240 HydrophobicContact CD-CG 4.2Å
74D91.2Very high78Confident79 Ų7973.5 Ų73.542%0.42239%0.393SS..EExtended strand (participates in β ladder)trans-74.3114.6172.1-64.8-19.3000107.6T54 A56 R72 V77T54-D74 HydrophobicContact CG2-CB 4.32Å; A56-D74 WeakPolarHBondContact CB-OD1 3.47Å; R72-D74 IonicContact CZ-OD1 2.63Å; R72-D74 IonicContact NE-OD1 3.27Å; R72-D74 PolarHBondContact NE-OD1 3.02Å; R72-D74 IonicContact NH2-OD1 3.08Å; R72-D74 PolarHBondContact NH2-OD1 3.23Å; R72-D74 IonicContact NH2-OD2 2.93Å; D74-V77 HydrophobicContact CB-CG2 4.06Å
75L91Very high79.9Confident38 Ų3872.7 Ų72.720%0.19940%0.397CS..EExtended strand (participates in β ladder)trans-83.2-29.4-179.9-54.3-179.1000111.1C55 F57 K73 P121 I139 L240C55-L75 HydrophobicContact CB-CB 4.49Å; C55-L75 PolarHBondContact O-N 3.34Å; F57-L75 HydrophobicContact CB-CD1 4.25Å; F57-L75 HydrophobicContact CB-CD2 4.27Å; F57-L75 HydrophobicContact CB-CG 4.33Å; K73-L75 HydrophobicContact CD-CD2 4.31Å; K73-L75 HydrophobicContact CG-CD2 4.2Å; K73-L75 PolarHBondContact O-N 3.2Å; L75-P121 HydrophobicContact CD1-CG 3.8Å; L75-I139 HydrophobicContact CD1-CG2 4.43Å; L75-L240 HydrophobicContact CD2-CD1 3.56Å
76Y92.9Very high82Confident49 Ų4967.7 Ų67.719%0.19237%0.374CS..EExtended strand (participates in β ladder)trans-155.3139.6179.5-179.6-101.4000110.5L53 T54 C55 Q78 V117 L120L53-Y76 HydrophobicContact CD2-CE1 4.16Å; T54-Y76 CarbonylContact C-O 3.56Å; T54-Y76 WeakPolarHBondContact CA-O 3.48Å; C55-Y76 PolarHBondContact N-O 3.28Å; C55-Y76 PolarHBondContact O-N 3.05Å; Y76-Q78 HydrophobicContact CE1-CB 3.57Å; Y76-V117 HydrophobicContact CD2-CG2 4.03Å; Y76-V117 HydrophobicContact CE2-CB 4.5Å; Y76-V117 HydrophobicContact CE2-CG1 3.72Å; Y76-V117 HydrophobicContact CE2-CG2 3.94Å; Y76-L120 HydrophobicContact CD1-CD1 3.8Å; Y76-L120 HydrophobicContact CD2-CD1 4.4Å; Y76-L120 HydrophobicContact CD2-CD2 4.4Å; Y76-L120 HydrophobicContact CE1-CD1 4.48Å; Y76-L120 HydrophobicContact CG-CD1 3.75Å; Y76-L120 HydrophobicContact CG-CD2 4.13Å
77V94.6Very high83.3Confident71 Ų7170.5 Ų70.543%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-136127.3172.6-1760000108M52 L53 T54 D74M52-V77 HydrophobicContact CG-CG1 3.93Å; M52-V77 HydrophobicContact SD-CG1 3.76Å; L53-V77 CarbonylContact O-C 3.52Å; L53-V77 WeakPolarHBondContact O-CA 3.2Å; T54-V77 HydrophobicContact CG2-CG2 4.21Å; D74-V77 HydrophobicContact CB-CG2 4.06Å
78Q94.8Very high84.2Confident56 Ų5666.7 Ų66.726%0.26239%0.386SS..EExtended strand (participates in β ladder)trans-126.4124.4169.9-179.9-179.73400108.5M52 L53 Y76 L114 Q115M52-Q78 CarbonylContact C-O 3.55Å; M52-Q78 VanDerWaalsContact CA-O 3.27Å; M52-Q78 WeakPolarHBondContact CA-O 3.5Å; L53-Q78 HydrophobicContact CB-CB 4.44Å; L53-Q78 PolarHBondContact N-O 3.29Å; L53-Q78 PolarHBondContact O-N 3.13Å; Y76-Q78 HydrophobicContact CE1-CB 3.57Å; Q78-L114 HydrophobicContact CG-CD2 4.31Å; Q78-Q115 PolarHBondContact OE1-O 2.83Å
79T94.9Very high84.6Confident58 Ų5864.9 Ų64.936%0.35636%0.363SS..EExtended strand (participates in β ladder)trans-115.5129.3178.1-560000109.5F50 P151F50-T79 HydrophobicContact CB-CG2 4.31Å; F50-T79 HydrophobicContact CD1-CG2 3.91Å; F50-T79 HydrophobicContact CG-CG2 4.42Å; T79-P151 HydrophobicContact CG2-CB 3.84Å
80L93.6Very high84.5Confident45 Ų4567.2 Ų67.224%0.23638%0.383CS..EExtended strand (participates in β ladder)trans-115.3123.5175.617866.5000109.1F50 V51 V82 F112 L114F50-L80 CarbonylContact C-O 3.55Å; F50-L80 WeakPolarHBondContact CA-O 3.37Å; V51-L80 PolarHBondContact N-O 2.85Å; V51-L80 PolarHBondContact O-N 2.67Å; L80-V82 HydrophobicContact CD2-CG2 4.29Å; L80-V82 HydrophobicContact CG-CG2 4.32Å; L80-V82 PolarHBondContact O-N 2.62Å; L80-F112 HydrophobicContact CD2-CB 3.89Å; L80-L114 HydrophobicContact CB-CD2 3.99Å; L80-L114 HydrophobicContact CD2-CD2 4.47Å
81Q94.9Very high84Confident26 Ų2672.3 Ų72.312%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-81.7111.7167.8-170178.8-75.200109.4K48 F50 P84 E86K48-Q81 HydrophobicContact CB-CG 4.47Å; K48-Q81 VanDerWaalsContact CD-OE1 3.25Å; F50-Q81 HydrophobicContact CD1-CB 3.87Å; F50-Q81 HydrophobicContact CD1-CG 4.09Å; F50-Q81 HydrophobicContact CE1-CB 3.69Å; F50-Q81 HydrophobicContact CE1-CG 3.67Å; F50-Q81 HydrophobicContact CZ-CG 4.28Å; Q81-P84 PolarHBondContact NE2-O 3.23Å; Q81-E86 HydrophobicContact CB-CG 4.16Å
82V93.6Very high83.5Confident15 Ų1571.8 Ų71.89%0.09141%0.41CS..EExtended strand (participates in β ladder)trans-86.6-40.5-177.9-177.80000110.8L49 V51 L80 A85 Y110 F112L49-V82 HydrophobicContact CD2-CB 4.15Å; L49-V82 HydrophobicContact CD2-CG1 4.18Å; L49-V82 HydrophobicContact CG-CB 4.23Å; L49-V82 PolarHBondContact O-N 2.83Å; V51-V82 HydrophobicContact CB-CG2 4.18Å; V51-V82 HydrophobicContact CG2-CG2 3.61Å; L80-V82 HydrophobicContact CD2-CG2 4.29Å; L80-V82 HydrophobicContact CG-CG2 4.32Å; L80-V82 PolarHBondContact O-N 2.62Å; V82-A85 PolarHBondContact O-N 2.94Å; V82-Y110 VanDerWaalsContact CG1-CB 3.41Å; V82-Y110 HydrophobicContact CG1-CG 4.32Å; V82-F112 HydrophobicContact CG2-CB 4.12Å
83V93.4Very high83.4Confident27 Ų2772 Ų7216%0.16443%0.428CS..EExtended strand (participates in β ladder)trans-135.4129.1177.3-172.50000110.6L44 K48 L49 Y110L44-V83 HydrophobicContact CD2-CB 4.2Å; L44-V83 HydrophobicContact CD2-CG1 3.9Å; L44-V83 HydrophobicContact CD2-CG2 4.42Å; K48-V83 CarbonylContact C-O 3.59Å; K48-V83 WeakPolarHBondContact CA-O 3.35Å; K48-V83 WeakPolarHBondContact CB-O 3.47Å; L49-V83 HydrophobicContact CB-CB 3.89Å; L49-V83 HydrophobicContact CB-CG2 4.16Å; L49-V83 HydrophobicContact CD2-CG2 4.13Å; L49-V83 PolarHBondContact N-O 3.36Å; L49-V83 PolarHBondContact O-N 2.99Å; V83-Y110 HydrophobicContact CG2-CD1 3.5Å; V83-Y110 VanDerWaalsContact CG2-CD1 3.5Å; V83-Y110 HydrophobicContact CG2-CD2 3.87Å; V83-Y110 HydrophobicContact CG2-CE1 3.66Å; V83-Y110 HydrophobicContact CG2-CE2 4.01Å; V83-Y110 HydrophobicContact CG2-CG 3.61Å
84P90.3Very high83.4Confident75 Ų7571.4 Ų71.449%0.48743%0.428SS..THydrogen-bonded Turncis-65.9141.8-13.429.3-33.1000110.5Q81 E86Q81-P84 PolarHBondContact NE2-O 3.23Å; P84-E86 PolarHBondContact O-N 2.91Å
85A83.2Confident83.4Confident61 Ų6169.7 Ų69.750%0.50442%0.421SS..THydrogen-bonded Turntrans-62.7125.2179.100000110.5V82V82-A85 PolarHBondContact O-N 2.94Å
86E81.1Confident83.5Confident86 Ų8671.7 Ų71.740%0.40243%0.434SS..PPolyproline II helixtrans-68.6142.4178.9-67.6-178.3177.400111.2Q81 P84 S88 S89Q81-E86 HydrophobicContact CB-CG 4.16Å; P84-E86 PolarHBondContact O-N 2.91Å; E86-S88 PolarHBondContact O-N 3.38Å; E86-S89 WeakPolarHBondContact O-CB 3.47Å; E86-S89 PolarHBondContact O-N 2.96Å; E86-S89 VanDerWaalsContact O-N 3.13Å; E86-S89 PolarHBondContact O-OG 2.79Å
87S67.7Low83.4Confident133 Ų13370.5 Ų70.593%0.9343%0.431SS*.THydrogen-bonded Turntrans-65.5-24.7179.349.70000113.7
88S63.5Low83.4Confident95 Ų9567.3 Ų67.366%0.66441%0.411SS*.THydrogen-bonded Turntrans-82.2-13.317647.70000113.6E86E86-S88 PolarHBondContact O-N 3.38Å
89S61.5Low83.3Confident28 Ų2869.8 Ų69.820%0.19642%0.423CS..SBendtrans-71.5128-178.5660000110.1E86 K91E86-S89 WeakPolarHBondContact O-CB 3.47Å; E86-S89 PolarHBondContact O-N 2.96Å; E86-S89 VanDerWaalsContact O-N 3.13Å; E86-S89 PolarHBondContact O-OG 2.79Å; S89-K91 PolarHBondContact O-N 2.88Å
90P57.6Low83.2Confident128 Ų12870.1 Ų70.183%0.83142%0.418SS*.  trans-64.9106.2177.224-30.2000108.8G92P90-G92 PolarHBondContact O-N 2.88Å
91K63.9Low83.2Confident179 Ų17968 Ų6878%0.77841%0.406SS*.  trans-73.876.1168-67.9-174.6-178.9-179.20108.4S89S89-K91 PolarHBondContact O-N 2.88Å
92G71.3Confident83.2Confident50 Ų5068.5 Ų68.552%0.51541%0.41SS..PPolyproline II helixtrans-61.9163.9168.400000111.1P90P90-G92 PolarHBondContact O-N 2.88Å
93P85.9Confident83.2Confident128 Ų12876 Ų7683%0.83144%0.444SS*.PPolyproline II helixtrans-59.3144.4169.627.8-33.9000109.8
94L90.4Very high83.2Confident72 Ų7279.9 Ų79.938%0.37746%0.459SS..PPolyproline II helixtrans-64.9146174.4-65176.2000110Q98 E99 L102 P111L94-Q98 HydrophobicContact CB-CB 4.33Å; L94-Q98 HydrophobicContact CD2-CB 4.32Å; L94-E99 HydrophobicContact CB-CG 3.7Å; L94-E99 HydrophobicContact CD1-CG 4.1Å; L94-L102 HydrophobicContact CD1-CD1 3.79Å; L94-L102 HydrophobicContact CD2-CD1 4.47Å; L94-P111 HydrophobicContact CD2-CB 3.79Å; L94-P111 HydrophobicContact CD2-CG 3.64Å
95T91.9Very high83.4Confident43 Ų4378.1 Ų78.126%0.26445%0.445SS..PPolyproline II helixtrans-74.3155.5169.1740000109.9D34 L97 Q98 E99D34-T95 HydrophobicContact CB-CG2 3.9Å; D34-T95 WeakPolarHBondContact OD2-CB 3.28Å; D34-T95 WeakPolarHBondContact OD2-CG2 3.36Å; D34-T95 PolarHBondContact OD2-OG1 2.86Å; T95-L97 PolarHBondContact O-N 2.99Å; T95-L97 VanDerWaalsContact O-N 3.14Å; T95-Q98 WeakPolarHBondContact O-CB 3.43Å; T95-Q98 PolarHBondContact O-N 3.47Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.28Å; T95-Q98 PolarHBondContact OG1-N 2.92Å; T95-E99 PolarHBondContact O-N 2.81Å
96V91.7Very high83.9Confident80 Ų8076.8 Ų76.849%0.48544%0.437SS..Hα-helixtrans-54.4-34.7174.7177.10000111.4R100V96-R100 VanDerWaalsContact CG1-CZ 3.47Å; V96-R100 VanDerWaalsContact O-CG 3.25Å; V96-R100 WeakPolarHBondContact O-CG 3.34Å; V96-R100 PolarHBondContact O-N 2.85Å
97L91.1Very high84.4Confident24 Ų2480.1 Ų80.113%0.12646%0.457CS..Hα-helixtrans-64.6-49.6175172.865.1000111.5V4 T95 R100 L101V4-L97 HydrophobicContact CG2-CD1 3.59Å; T95-L97 PolarHBondContact O-N 2.99Å; T95-L97 VanDerWaalsContact O-N 3.14Å; L97-R100 PolarHBondContact O-N 3.22Å; L97-L101 HydrophobicContact CD1-CD1 3.74Å; L97-L101 HydrophobicContact CD1-CG 4.03Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.5Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 WeakPolarHBondContact O-CG 3.41Å; L97-L101 PolarHBondContact O-N 2.92Å
98Q94.4Very high85.7Confident4 Ų476.8 Ų76.82%0.01943%0.429CS..Hα-helixtrans-60.4-47.4179.9-72.9168.7-18.700111.1V36 L94 T95 R100 L101 L102 P111 F112 T113V36-Q98 HydrophobicContact CG2-CB 4.4Å; V36-Q98 HydrophobicContact CG2-CG 4.24Å; L94-Q98 HydrophobicContact CB-CB 4.33Å; L94-Q98 HydrophobicContact CD2-CB 4.32Å; T95-Q98 WeakPolarHBondContact O-CB 3.43Å; T95-Q98 PolarHBondContact O-N 3.47Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.28Å; T95-Q98 PolarHBondContact OG1-N 2.92Å; Q98-R100 VanDerWaalsContact C-N 3.33Å; Q98-R100 PolarHBondContact O-N 2.83Å; Q98-L101 PolarHBondContact O-N 2.98Å; Q98-L102 WeakPolarHBondContact O-CB 3.38Å; Q98-L102 WeakPolarHBondContact O-CG 3.44Å; Q98-L102 PolarHBondContact O-N 2.9Å; Q98-P111 HydrophobicContact CB-CB 4.26Å; Q98-P111 HydrophobicContact CG-CB 4.09Å; Q98-F112 PolarHBondContact NE2-O 3.33Å; Q98-T113 PolarHBondContact NE2-OG1 2.75Å; Q98-T113 VanDerWaalsContact NE2-OG1 3.08Å
99E93.6Very high87.2Confident109 Ų10972.6 Ų72.651%0.50940%0.4SS..Hα-helixtrans-55.3-48.2178.1-69179163.300112L94 T95 L102 H103L94-E99 HydrophobicContact CB-CG 3.7Å; L94-E99 HydrophobicContact CD1-CG 4.1Å; T95-E99 PolarHBondContact O-N 2.81Å; E99-L102 PolarHBondContact O-N 3.17Å; E99-H103 PolarHBondContact O-N 2.63Å
100R91.9Very high88.9Confident64 Ų6474.3 Ų74.324%0.24240%0.403CS..Hα-helixtrans-66.6-39.7179.6-67.9175.4-176.2167.76112.4V96 L97 Q98 H103 K104 A358 S360 I363V96-R100 VanDerWaalsContact CG1-CZ 3.47Å; V96-R100 VanDerWaalsContact O-CG 3.25Å; V96-R100 WeakPolarHBondContact O-CG 3.34Å; V96-R100 PolarHBondContact O-N 2.85Å; L97-R100 PolarHBondContact O-N 3.22Å; Q98-R100 VanDerWaalsContact C-N 3.33Å; Q98-R100 PolarHBondContact O-N 2.83Å; R100-H103 PolarHBondContact O-N 2.75Å; R100-K104 WeakPolarHBondContact O-CB 3.22Å; R100-K104 PolarHBondContact O-N 3.37Å; R100-A358 PolarHBondContact NH1-O 3.5Å; R100-A358 PolarHBondContact NH2-O 2.96Å; R100-S360 PolarHBondContact NH1-O 2.8Å; R100-I363 HydrophobicContact CB-CD1 3.51Å; R100-I363 HydrophobicContact CG-CD1 4.47Å
101L94.1Very high90.7Very high0 Ų070.4 Ų70.40%038%0.377CS..Hα-helixtrans-68-40.4177.6-76.7176.7000111.9V4 V36 L97 Q98 H103 K104 L105 I363V4-L101 HydrophobicContact CG1-CD1 4.2Å; V4-L101 HydrophobicContact CG1-CD2 4.06Å; V4-L101 HydrophobicContact CG2-CD2 4.31Å; V36-L101 HydrophobicContact CB-CB 4.24Å; V36-L101 HydrophobicContact CB-CD1 4.18Å; V36-L101 HydrophobicContact CG2-CB 3.72Å; V36-L101 HydrophobicContact CG2-CD1 3.94Å; L97-L101 HydrophobicContact CD1-CD1 3.74Å; L97-L101 HydrophobicContact CD1-CG 4.03Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.5Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 WeakPolarHBondContact O-CG 3.41Å; L97-L101 PolarHBondContact O-N 2.92Å; Q98-L101 PolarHBondContact O-N 2.98Å; L101-H103 VanDerWaalsContact C-N 3.35Å; L101-K104 PolarHBondContact O-N 2.87Å; L101-L105 HydrophobicContact CB-CD1 4.32Å; L101-L105 HydrophobicContact CD2-CD1 4.44Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 WeakPolarHBondContact O-CG 3.21Å; L101-L105 PolarHBondContact O-N 2.9Å; L101-I363 HydrophobicContact CD2-CD1 4.29Å
102L94.6Very high92.2Very high37 Ų3762 Ų6219%0.19434%0.341CS..Hα-helixtrans-61.8-44.7175.1-67.5172.4000110.9V36 L94 Q98 E99 K104 L105 G106 A109 P111V36-L102 HydrophobicContact CG1-CD2 4.11Å; V36-L102 HydrophobicContact CG2-CD2 4.47Å; L94-L102 HydrophobicContact CD1-CD1 3.79Å; L94-L102 HydrophobicContact CD2-CD1 4.47Å; Q98-L102 WeakPolarHBondContact O-CB 3.38Å; Q98-L102 WeakPolarHBondContact O-CG 3.44Å; Q98-L102 PolarHBondContact O-N 2.9Å; E99-L102 PolarHBondContact O-N 3.17Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.49Å; L102-L105 PolarHBondContact O-N 2.95Å; L102-G106 PolarHBondContact O-N 3.31Å; L102-A109 HydrophobicContact CD2-CB 3.84Å; L102-A109 WeakPolarHBondContact CD2-O 3.4Å; L102-P111 HydrophobicContact CD1-CB 4.31Å; L102-P111 HydrophobicContact CD1-CG 4.12Å
103H93.4Very high93.2Very high174 Ų17462.9 Ų62.981%0.80634%0.336SS*.Hα-helixtrans-61.2-38174.8-175.2-87.4000112.6E99 R100 L101E99-H103 PolarHBondContact O-N 2.63Å; R100-H103 PolarHBondContact O-N 2.75Å; L101-H103 VanDerWaalsContact C-N 3.35Å
104K93.9Very high93.6Very high108 Ų10856.8 Ų56.847%0.4730%0.297SS..Hα-helixtrans-78.7-32.7-178.8-172.3170.6-1771730113.9R100 L101 L102 I363 I365R100-K104 WeakPolarHBondContact O-CB 3.22Å; R100-K104 PolarHBondContact O-N 3.37Å; L101-K104 PolarHBondContact O-N 2.87Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.49Å; K104-I363 HydrophobicContact CD-CB 4.45Å; K104-I363 PolarHBondContact NZ-O 3.29Å; K104-I365 HydrophobicContact CD-CD1 4.34Å
105L94.5Very high93.7Very high38 Ų3857.5 Ų57.520%0.19930%0.298CS..Hα-helixtrans-97.7-20-172.1-62.9174.7000113.7Y17 V36 L38 L101 L102 A109Y17-L105 HydrophobicContact CD1-CD1 4.4Å; Y17-L105 HydrophobicContact CD2-CD1 3.69Å; Y17-L105 HydrophobicContact CE1-CD1 4.35Å; Y17-L105 HydrophobicContact CE1-CD2 4.05Å; Y17-L105 HydrophobicContact CE2-CD1 3.65Å; Y17-L105 HydrophobicContact CE2-CD2 4.16Å; Y17-L105 HydrophobicContact CG-CD1 4.09Å; V36-L105 HydrophobicContact CG1-CD1 3.94Å; L38-L105 HydrophobicContact CD1-CB 4.47Å; L101-L105 HydrophobicContact CB-CD1 4.32Å; L101-L105 HydrophobicContact CD2-CD1 4.44Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 WeakPolarHBondContact O-CG 3.21Å; L101-L105 PolarHBondContact O-N 2.9Å; L102-L105 PolarHBondContact O-N 2.95Å; L105-A109 HydrophobicContact CB-CB 3.64Å; L105-A109 HydrophobicContact CD1-CB 4.24Å
106G93.4Very high93.7Very high32 Ų3255.6 Ų55.633%0.3329%0.286SS..  trans84.7-166.1176.900000114.7L102 N108 A109L102-G106 PolarHBondContact O-N 3.31Å; G106-N108 PolarHBondContact O-N 3.35Å; G106-N108 VanDerWaalsContact O-N 3.1Å; G106-A109 VanDerWaalsContact O-CB 3.28Å; G106-A109 WeakPolarHBondContact O-CB 3.39Å; G106-A109 PolarHBondContact O-N 3.38Å
107D91.4Very high93.5Very high156 Ų15654.7 Ų54.783%0.83428%0.281SS*.THydrogen-bonded Turntrans-67.3-15.6-162.6-59.2-27.1000115.9A109D107-A109 VanDerWaalsContact C-N 3.34Å
108N94.8Very high93.3Very high64 Ų6455.5 Ų55.534%0.34229%0.287SS..THydrogen-bonded Turntrans-98.513.1-178.6-54.7-42.9000112.8L38 V39 P41 G106 Y110L38-N108 HydrophobicContact CD1-CB 4.22Å; V39-N108 PolarHBondContact N-O 3.21Å; V39-N108 WeakPolarHBondContact O-CB 3.45Å; P41-N108 HydrophobicContact CG-CB 4.32Å; P41-N108 VanDerWaalsContact CG-CG 3.41Å; P41-N108 WeakPolarHBondContact CG-ND2 3.27Å; P41-N108 VanDerWaalsContact CG-OD1 3.29Å; P41-N108 WeakPolarHBondContact CG-OD1 3.39Å; G106-N108 PolarHBondContact O-N 3.35Å; G106-N108 VanDerWaalsContact O-N 3.1Å; N108-Y110 WeakPolarHBondContact O-CD2 3.39Å; N108-Y110 WeakPolarHBondContact O-CE2 3.45Å
109A96.4Very high92.9Very high7 Ų759.6 Ų59.66%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-100.3130.4176.900000109.4V36 V37 L38 L102 L105 G106 D107V36-A109 HydrophobicContact CG1-CB 3.7Å; V37-A109 CarbonylContact O-C 3.6Å; V37-A109 WeakPolarHBondContact O-CA 3.31Å; L38-A109 HydrophobicContact CD1-CB 4.31Å; L102-A109 HydrophobicContact CD2-CB 3.84Å; L102-A109 WeakPolarHBondContact CD2-O 3.4Å; L105-A109 HydrophobicContact CB-CB 3.64Å; L105-A109 HydrophobicContact CD1-CB 4.24Å; G106-A109 VanDerWaalsContact O-CB 3.28Å; G106-A109 WeakPolarHBondContact O-CB 3.39Å; G106-A109 PolarHBondContact O-N 3.38Å; D107-A109 VanDerWaalsContact C-N 3.34Å
110Y95.8Very high92.8Very high63 Ų6355.2 Ų55.225%0.24729%0.289CS..EExtended strand (participates in β ladder)trans-126.1126.1-175.1-57.2-81.5000110.6V36 V37 V39 L44 L49 V82 V83 N108V36-Y110 CarbonylContact C-O 3.58Å; V36-Y110 WeakPolarHBondContact CA-O 3.45Å; V37-Y110 PolarHBondContact N-O 2.84Å; V37-Y110 PolarHBondContact O-N 3.19Å; V39-Y110 HydrophobicContact CG1-CD2 3.82Å; V39-Y110 HydrophobicContact CG1-CE2 3.49Å; V39-Y110 VanDerWaalsContact CG1-CE2 3.49Å; L44-Y110 HydrophobicContact CD2-CE2 4.33Å; L49-Y110 HydrophobicContact CD2-CD2 4.02Å; L49-Y110 HydrophobicContact CD2-CG 4.49Å; V82-Y110 VanDerWaalsContact CG1-CB 3.41Å; V82-Y110 HydrophobicContact CG1-CG 4.32Å; V83-Y110 HydrophobicContact CG2-CD1 3.5Å; V83-Y110 VanDerWaalsContact CG2-CD1 3.5Å; V83-Y110 HydrophobicContact CG2-CD2 3.87Å; V83-Y110 HydrophobicContact CG2-CE1 3.66Å; V83-Y110 HydrophobicContact CG2-CE2 4.01Å; V83-Y110 HydrophobicContact CG2-CG 3.61Å; N108-Y110 WeakPolarHBondContact O-CD2 3.39Å; N108-Y110 WeakPolarHBondContact O-CE2 3.45Å
111P95.7Very high92.8Very high46 Ų4652.6 Ų52.630%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-77.2151.3-178.533.3-33.5000111.1G35 L94 Q98 L102G35-P111 WeakPolarHBondContact O-CA 3.38Å; L94-P111 HydrophobicContact CD2-CB 3.79Å; L94-P111 HydrophobicContact CD2-CG 3.64Å; Q98-P111 HydrophobicContact CB-CB 4.26Å; Q98-P111 HydrophobicContact CG-CB 4.09Å; L102-P111 HydrophobicContact CD1-CB 4.31Å; L102-P111 HydrophobicContact CD1-CG 4.12Å
112F95Very high92.7Very high4 Ų453.7 Ų53.72%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-143.9151.7170.570.9-89.2000111I16 L18 I33 G35 V37 V51 L80 V82 Q98 L114 V143I16-F112 HydrophobicContact CG2-CE1 4.15Å; I16-F112 HydrophobicContact CG2-CZ 4.03Å; L18-F112 HydrophobicContact CD2-CE2 4.3Å; L18-F112 HydrophobicContact CD2-CZ 3.76Å; I33-F112 HydrophobicContact CG2-CE2 4.16Å; G35-F112 VanDerWaalsContact C-CD1 3.5Å; G35-F112 PolarHBondContact N-O 2.92Å; G35-F112 WeakPolarHBondContact O-CD1 3.42Å; G35-F112 PolarHBondContact O-N 3.15Å; V37-F112 HydrophobicContact CG2-CD1 3.66Å; V37-F112 HydrophobicContact CG2-CE1 3.67Å; V51-F112 HydrophobicContact CB-CD2 4.46Å; V51-F112 HydrophobicContact CB-CG 4.4Å; V51-F112 HydrophobicContact CG1-CD2 3.79Å; V51-F112 HydrophobicContact CG1-CE2 3.85Å; V51-F112 HydrophobicContact CG1-CG 4.14Å; V51-F112 HydrophobicContact CG1-CZ 4.24Å; V51-F112 HydrophobicContact CG2-CB 4.35Å; V51-F112 HydrophobicContact CG2-CD1 4.08Å; V51-F112 HydrophobicContact CG2-CG 4.08Å; L80-F112 HydrophobicContact CD2-CB 3.89Å; V82-F112 HydrophobicContact CG2-CB 4.12Å; Q98-F112 PolarHBondContact NE2-O 3.33Å; F112-L114 HydrophobicContact CD2-CD1 4.18Å; F112-L114 HydrophobicContact CD2-CG 4.14Å; F112-L114 HydrophobicContact CE2-CD1 4.14Å; F112-V143 HydrophobicContact CE2-CG1 4.34Å; F112-V143 HydrophobicContact CZ-CG1 4.34Å
113T94.3Very high92.7Very high67 Ų6752.3 Ų52.341%0.41128%0.281SS..EExtended strand (participates in β ladder)trans-136.5124.9172.4-53.90000108.9P32 I33 Q98P32-T113 HydrophobicContact CB-CG2 3.86Å; I33-T113 CarbonylContact O-C 3.44Å; I33-T113 VanDerWaalsContact O-CA 3.3Å; I33-T113 WeakPolarHBondContact O-CA 3.42Å; Q98-T113 PolarHBondContact NE2-OG1 2.75Å; Q98-T113 VanDerWaalsContact NE2-OG1 3.08Å
114L93.8Very high92.8Very high0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-113128.8176.3-61.1163.2000109.2I33 V51 L53 Q78 L80 F112 V143I33-L114 HydrophobicContact CB-CB 4.3Å; I33-L114 PolarHBondContact N-O 3.44Å; I33-L114 PolarHBondContact O-N 2.81Å; V51-L114 HydrophobicContact CG1-CD1 3.72Å; L53-L114 HydrophobicContact CB-CD1 3.79Å; L53-L114 HydrophobicContact CD2-CB 4.5Å; Q78-L114 HydrophobicContact CG-CD2 4.31Å; L80-L114 HydrophobicContact CB-CD2 3.99Å; L80-L114 HydrophobicContact CD2-CD2 4.47Å; F112-L114 HydrophobicContact CD2-CD1 4.18Å; F112-L114 HydrophobicContact CD2-CG 4.14Å; F112-L114 HydrophobicContact CE2-CD1 4.14Å; L114-V143 HydrophobicContact CD1-CG1 4.42Å
115Q91.9Very high92.7Very high88 Ų8840 Ų4041%0.41123%0.227SC..  trans-100.1110.9179-174.761.446.600109.6V30 Q78V30-Q115 PolarHBondContact O-NE2 3.21Å; Q78-Q115 PolarHBondContact OE1-O 2.83Å
116M91.1Very high92.6Very high2 Ų238.2 Ų38.21%0.0122%0.217CC..  trans-66.3136.6172.7-61.8-164.4-173.300110.3F23 V30 I33 L53 F141 V165 K167F23-M116 HydrophobicContact CB-CE 4.25Å; F23-M116 HydrophobicContact CD2-CE 4.45Å; F23-M116 HydrophobicContact CG-CE 4.45Å; V30-M116 HydrophobicContact CB-CB 3.99Å; V30-M116 HydrophobicContact CG1-CB 3.79Å; V30-M116 HydrophobicContact CG1-CG 4.16Å; V30-M116 HydrophobicContact CG1-SD 3.86Å; V30-M116 HydrophobicContact CG2-CB 4.4Å; I33-M116 HydrophobicContact CD1-CE 3.28Å; I33-M116 HydrophobicContact CD1-CG 4.43Å; I33-M116 HydrophobicContact CG1-CE 3.77Å; L53-M116 HydrophobicContact CD2-CG 3.84Å; M116-F141 HydrophobicContact CE-CD1 3.92Å; M116-F141 HydrophobicContact CE-CE1 4.46Å; M116-F141 HydrophobicContact CE-CG 4.38Å; M116-F141 HydrophobicContact SD-CD1 3.91Å; M116-F141 HydrophobicContact SD-CE1 3.85Å; M116-V165 HydrophobicContact CE-CG2 4.28Å; M116-K167 HydrophobicContact SD-CB 4.29Å; M116-K167 HydrophobicContact SD-CD 4.27Å; M116-K167 HydrophobicContact SD-CG 4.14Å
117V88.6Confident92.4Very high61 Ų6140.1 Ų40.137%0.3722%0.218SC..  trans-74.1141.6169.2-53.80000109.6Y76 N119 L120Y76-V117 HydrophobicContact CD2-CG2 4.03Å; Y76-V117 HydrophobicContact CE2-CB 4.5Å; Y76-V117 HydrophobicContact CE2-CG1 3.72Å; Y76-V117 HydrophobicContact CE2-CG2 3.94Å; V117-N119 PolarHBondContact O-N 2.76Å; V117-L120 HydrophobicContact CG2-CD1 3.79Å; V117-L120 HydrophobicContact CG2-CD2 3.85Å; V117-L120 HydrophobicContact CG2-CG 3.47Å; V117-L120 VanDerWaalsContact CG2-CG 3.47Å
118T86.3Confident92.1Very high41 Ų4133.5 Ų33.525%0.25218%0.184SC..THydrogen-bonded Turntrans-67.8-38.8-167.959.80000111.2D28 V30 L120 K167 R304D28-T118 WeakPolarHBondContact O-CG2 3.41Å; V30-T118 HydrophobicContact CG2-CG2 4.27Å; T118-L120 PolarHBondContact O-N 2.99Å; T118-L120 VanDerWaalsContact O-N 3.08Å; T118-K167 PolarHBondContact O-NZ 3.44Å; T118-R304 PolarHBondContact O-NH1 2.94Å; T118-R304 PolarHBondContact O-NH2 3.39Å; T118-R304 PolarHBondContact OG1-NH1 2.77Å
119N86.9Confident91.6Very high91 Ų9130.8 Ų30.849%0.48717%0.17SC..THydrogen-bonded Turntrans-68.10.4-177-67.9-18.6000116.8V117 R304 M307V117-N119 PolarHBondContact O-N 2.76Å; N119-R304 VanDerWaalsContact CA-NH2 3.33Å; N119-M307 HydrophobicContact CB-CG 4.45Å
120L90.1Very high91Very high16 Ų1635.5 Ų35.58%0.08420%0.201CC..SBendtrans-72.8149.4174-60.3176.9000111.4C55 Y76 V117 T118 F141 K167C55-L120 HydrophobicContact CB-CD1 4.19Å; Y76-L120 HydrophobicContact CD1-CD1 3.8Å; Y76-L120 HydrophobicContact CD2-CD1 4.4Å; Y76-L120 HydrophobicContact CD2-CD2 4.4Å; Y76-L120 HydrophobicContact CE1-CD1 4.48Å; Y76-L120 HydrophobicContact CG-CD1 3.75Å; Y76-L120 HydrophobicContact CG-CD2 4.13Å; V117-L120 HydrophobicContact CG2-CD1 3.79Å; V117-L120 HydrophobicContact CG2-CD2 3.85Å; V117-L120 HydrophobicContact CG2-CG 3.47Å; V117-L120 VanDerWaalsContact CG2-CG 3.47Å; T118-L120 PolarHBondContact O-N 2.99Å; T118-L120 VanDerWaalsContact O-N 3.08Å; L120-F141 HydrophobicContact CB-CE1 4.34Å; L120-F141 HydrophobicContact CB-CZ 4.02Å; L120-F141 HydrophobicContact CD1-CE1 3.77Å; L120-F141 HydrophobicContact CD1-CZ 4.28Å; L120-K167 PolarHBondContact O-NZ 3.22Å
121P91.8Very high90.3Very high10 Ų1040.6 Ų40.67%0.06523%0.226CC..PPolyproline II helixtrans-61.9158.5170.228.6-36.4000111.7L75 I139 F141 K167 L312L75-P121 HydrophobicContact CD1-CG 3.8Å; P121-I139 HydrophobicContact CB-CD1 3.74Å; P121-I139 HydrophobicContact CB-CG2 4.47Å; P121-I139 HydrophobicContact CG-CD1 3.77Å; P121-I139 HydrophobicContact CG-CG2 3.81Å; P121-F141 WeakPolarHBondContact O-CE2 3.42Å; P121-F141 VanDerWaalsContact O-CZ 3.22Å; P121-F141 WeakPolarHBondContact O-CZ 3.28Å; P121-K167 WeakPolarHBondContact O-CD 3.48Å; P121-L312 HydrophobicContact CB-CB 4.47Å; P121-L312 HydrophobicContact CB-CD2 4.28Å; P121-L312 VanDerWaalsContact CB-O 3.3Å; P121-L312 WeakPolarHBondContact CB-O 3.48Å
122C93.2Very high89.8Confident23 Ų2340 Ų4016%0.15522%0.221CC..PPolyproline II helixtrans-77.3165.3169.5-76.80000111.4V124 K167 Q169C122-V124 PolarHBondContact O-N 2.82Å; C122-K167 WeakPolarHBondContact CB-O 3.47Å; C122-Q169 PolarHBondContact SG-OE1 2.92Å; C122-Q169 VanDerWaalsContact SG-OE1 3.4Å
123S94.4Very high89Confident8 Ų846 Ų466%0.05626%0.263CS..PPolyproline II helixtrans-65123.5174.1-70.10000110.6I139 F141 R166 K167S123-I139 WeakPolarHBondContact CA-O 3.42Å; S123-F141 WeakPolarHBondContact OG-CD2 3.42Å; S123-R166 WeakPolarHBondContact OG-CA 3.38Å; S123-K167 PolarHBondContact N-O 2.96Å; S123-K167 PolarHBondContact OG-N 3.18Å
124V94.8Very high88.4Confident6 Ų643.4 Ų43.44%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-142.3136.9179179.40000108.5C122 G138 I139 A285 L286 A298 I314 V316C122-V124 PolarHBondContact O-N 2.82Å; V124-G138 CarbonylContact O-C 3.54Å; V124-G138 WeakPolarHBondContact O-CA 3.36Å; V124-I139 PolarHBondContact N-O 2.84Å; V124-I139 PolarHBondContact O-N 2.79Å; V124-A285 HydrophobicContact CG1-CB 3.92Å; V124-L286 CarbonylContact C-O 3.55Å; V124-L286 VanDerWaalsContact CA-O 3.25Å; V124-L286 WeakPolarHBondContact CA-O 3.43Å; V124-A298 HydrophobicContact CG1-CB 4.05Å; V124-A298 HydrophobicContact CG2-CB 4.17Å; V124-I314 HydrophobicContact CG1-CB 4.36Å; V124-I314 HydrophobicContact CG1-CD1 4.29Å; V124-I314 HydrophobicContact CG1-CG2 3.86Å; V124-V316 HydrophobicContact CG1-CG2 4.12Å; V124-V316 HydrophobicContact CG2-CG2 4.47Å
125T93.3Very high88Confident16 Ų1646.5 Ų46.510%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-127.4143.4169.583.30000110.1A285 L286 G288T125-A285 CarbonylContact O-C 3.58Å; T125-A285 WeakPolarHBondContact O-CA 3.37Å; T125-L286 PolarHBondContact N-O 2.92Å; T125-L286 PolarHBondContact O-N 2.88Å; T125-G288 PolarHBondContact OG1-O 2.93Å
126L91.6Very high87.8Confident1 Ų144.2 Ų44.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-131.7121176.717770.8000108P136 C137 T236 V238 Y246 G283 L284L126-P136 WeakPolarHBondContact O-CA 3.42Å; L126-C137 PolarHBondContact N-O 2.79Å; L126-C137 PolarHBondContact O-N 3.33Å; L126-T236 HydrophobicContact CD2-CG2 4.2Å; L126-V238 HydrophobicContact CD2-CG2 4.23Å; L126-Y246 HydrophobicContact CD2-CD1 4.34Å; L126-Y246 HydrophobicContact CD2-CD2 3.41Å; L126-Y246 VanDerWaalsContact CD2-CD2 3.41Å; L126-Y246 HydrophobicContact CD2-CE1 4.3Å; L126-Y246 HydrophobicContact CD2-CE2 3.4Å; L126-Y246 HydrophobicContact CD2-CG 3.91Å; L126-G283 WeakPolarHBondContact CD1-O 3.35Å; L126-L284 VanDerWaalsContact CD1-C 3.41Å; L126-L284 WeakPolarHBondContact CD1-O 3.16Å
127Q88.8Confident87.7Confident72 Ų7244.5 Ų44.534%0.33626%0.258SS..  trans-110.1107.3171.9-68.2-172.14.500108.9R282 G283Q127-R282 CarbonylContact O-C 3.51Å; Q127-G283 PolarHBondContact O-N 3.03Å
128P85.5Confident87.9Confident18 Ų1841.9 Ų41.912%0.11724%0.244CC..  trans-52.5144.4178.5-28.235000112.9D132 G134 K135 Y246P128-D132 HydrophobicContact CB-CB 3.76Å; P128-G134 WeakPolarHBondContact CG-O 3.41Å; P128-K135 VanDerWaalsContact CG-C 3.44Å; P128-K135 WeakPolarHBondContact CG-O 3.42Å; P128-Y246 HydrophobicContact CB-CE1 4.47Å; P128-Y246 HydrophobicContact CG-CE1 4.44Å
129G84.6Confident88.3Confident6 Ų640 Ų406%0.06223%0.232CC..  trans-71.5171.2170.200000112.5E131 D132G129-E131 PolarHBondContact O-N 3.24Å; G129-D132 WeakPolarHBondContact CA-OD2 3.26Å; G129-D132 PolarHBondContact N-OD2 2.97Å; G129-D132 PolarHBondContact O-N 3.35Å; G129-D132 VanDerWaalsContact O-N 3.12Å
130P82.6Confident88.5Confident107 Ų10736.8 Ų36.870%0.69522%0.215SC*.THydrogen-bonded Turntrans-57.5-32.2178.3-24.534.7000114
131E83Confident88.8Confident169 Ų16936 Ų3679%0.7921%0.211SC*.THydrogen-bonded Turntrans-88.4-6.8-178.6-54.6-56.3139.900113.5G129G129-E131 PolarHBondContact O-N 3.24Å
132D83.9Confident88.9Confident35 Ų3536 Ų3619%0.18721%0.21CC..  trans-91.3132.3-176.5-62.4-33.9000109.5P128 G129 Y246 K248P128-D132 HydrophobicContact CB-CB 3.76Å; G129-D132 WeakPolarHBondContact CA-OD2 3.26Å; G129-D132 PolarHBondContact N-OD2 2.97Å; G129-D132 PolarHBondContact O-N 3.35Å; G129-D132 VanDerWaalsContact O-N 3.12Å; D132-Y246 HydrophobicContact CB-CD1 4.45Å; D132-Y246 HydrophobicContact CB-CE1 4.03Å; D132-K248 IonicContact OD1-NZ 3.09Å; D132-K248 PolarHBondContact OD1-NZ 2.86Å; D132-K248 WeakPolarHBondContact OD2-CE 3.38Å; D132-K248 IonicContact OD2-NZ 3.98Å; D132-K248 PolarHBondContact OD2-NZ 2.76Å
133S78.7Confident89.1Confident128 Ų12834.9 Ų34.990%0.89520%0.202SC*.  trans-80.4-15.8-174.856.70000114.9
134G80.6Confident89.2Confident13 Ų1335.9 Ų35.913%0.13421%0.206CC..SBendtrans-80.1176.1-177.500000113.9P128 Y246P128-G134 WeakPolarHBondContact CG-O 3.41Å; G134-Y246 WeakPolarHBondContact CA-OH 3.42Å
135K85.4Confident89.3Confident65 Ų6535.6 Ų35.628%0.28320%0.204SC..  trans-104.2159.5179.4-61.6-175.2-176.1168.30111.8Y59 L69 P128 C137Y59-K135 HydrophobicContact CD1-CB 4.31Å; Y59-K135 HydrophobicContact CD1-CD 4.38Å; Y59-K135 HydrophobicContact CE1-CB 3.8Å; Y59-K135 HydrophobicContact CE1-CD 3.85Å; Y59-K135 HydrophobicContact CE1-CG 4Å; Y59-K135 HydrophobicContact CE2-CB 4.28Å; Y59-K135 PolarHBondContact OH-N 3.13Å; L69-K135 PolarHBondContact O-NZ 3.08Å; P128-K135 VanDerWaalsContact CG-C 3.44Å; P128-K135 WeakPolarHBondContact CG-O 3.42Å; K135-C137 PolarHBondContact O-N 2.99Å
136P87.9Confident89.5Confident40 Ų4035 Ų3526%0.2620%0.2SC..  trans-53.4137.1170.7-26.336.5000110.9Y59 G60 R61 L126Y59-P136 CarbonylContact C-O 3.58Å; G60-P136 PolarHBondContact N-O 2.79Å; R61-P136 HydrophobicContact CG-CG 4.09Å; L126-P136 WeakPolarHBondContact O-CA 3.42Å
137C90.8Very high89.7Confident9 Ų935.1 Ų35.16%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-145.4162.9176.662.10000111.1F57 R58 Y59 L126 K135F57-C137 HydrophobicContact CZ-CB 4.35Å; R58-C137 CarbonylContact O-C 3.53Å; R58-C137 WeakPolarHBondContact O-CA 3.41Å; R58-C137 WeakPolarHBondContact O-CB 3.27Å; Y59-C137 HydrophobicContact CD2-CB 3.65Å; Y59-C137 HydrophobicContact CE2-CB 4.46Å; Y59-C137 HydrophobicContact CG-CB 4.34Å; L126-C137 PolarHBondContact N-O 2.79Å; L126-C137 PolarHBondContact O-N 3.33Å; K135-C137 PolarHBondContact O-N 2.99Å
138G92.7Very high89.9Confident6 Ų631.7 Ų31.76%0.06219%0.185CC..EExtended strand (participates in β ladder)trans-178.2170.9179.700000113.8F57 R58 V124F57-G138 CarbonylContact C-O 3.54Å; F57-G138 WeakPolarHBondContact CA-O 3.25Å; R58-G138 PolarHBondContact N-O 3.45Å; R58-G138 PolarHBondContact O-N 3.31Å; V124-G138 CarbonylContact O-C 3.54Å; V124-G138 WeakPolarHBondContact O-CA 3.36Å
139I93.1Very high90.3Very high1 Ų136.8 Ų36.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-122.9112177.4-59.2165.9000107.4A56 F57 L75 P121 S123 V124 F141 L312 I314A56-I139 WeakPolarHBondContact O-CA 3.32Å; F57-I139 HydrophobicContact CD2-CG1 3.96Å; L75-I139 HydrophobicContact CD1-CG2 4.43Å; P121-I139 HydrophobicContact CB-CD1 3.74Å; P121-I139 HydrophobicContact CB-CG2 4.47Å; P121-I139 HydrophobicContact CG-CD1 3.77Å; P121-I139 HydrophobicContact CG-CG2 3.81Å; S123-I139 WeakPolarHBondContact CA-O 3.42Å; V124-I139 PolarHBondContact N-O 2.84Å; V124-I139 PolarHBondContact O-N 2.79Å; I139-F141 HydrophobicContact CG2-CE2 4.36Å; I139-L312 WeakPolarHBondContact CD1-O 3.3Å; I139-I314 HydrophobicContact CD1-CB 4.23Å; I139-I314 HydrophobicContact CD1-CG1 4.17Å; I139-I314 HydrophobicContact CG1-CD1 4.4Å; I139-I314 HydrophobicContact CG1-CG1 4.47Å
140D92.3Very high90.5Very high23 Ų2340.3 Ų40.312%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-112144.1-177.6-65.5-32.2000110.5C55 A56 R58 V164C55-D140 WeakPolarHBondContact CA-O 3.19Å; A56-D140 PolarHBondContact N-O 3.31Å; A56-D140 PolarHBondContact O-N 2.7Å; A56-D140 VanDerWaalsContact O-N 3.09Å; R58-D140 IonicContact CZ-OD2 2.78Å; R58-D140 IonicContact NE-OD2 2.8Å; R58-D140 IonicContact NH1-OD2 3.47Å; R58-D140 PolarHBondContact NH1-OD2 2.74Å; D140-V164 HydrophobicContact CB-CG1 4.19Å
141F95.1Very high90.8Very high0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-104.1122.4167.5-71.6-102.4000109.4L53 T54 C55 M116 L120 P121 S123 I139 V164 V165 K167L53-F141 HydrophobicContact CD1-CD1 4.32Å; T54-F141 CarbonylContact O-C 3.52Å; T54-F141 WeakPolarHBondContact O-CA 3.45Å; C55-F141 HydrophobicContact CB-CD1 3.97Å; C55-F141 HydrophobicContact CB-CE1 3.68Å; C55-F141 HydrophobicContact CB-CZ 4.04Å; C55-F141 VanDerWaalsContact SG-CZ 3.5Å; M116-F141 HydrophobicContact CE-CD1 3.92Å; M116-F141 HydrophobicContact CE-CE1 4.46Å; M116-F141 HydrophobicContact CE-CG 4.38Å; M116-F141 HydrophobicContact SD-CD1 3.91Å; M116-F141 HydrophobicContact SD-CE1 3.85Å; L120-F141 HydrophobicContact CB-CE1 4.34Å; L120-F141 HydrophobicContact CB-CZ 4.02Å; L120-F141 HydrophobicContact CD1-CE1 3.77Å; L120-F141 HydrophobicContact CD1-CZ 4.28Å; P121-F141 WeakPolarHBondContact O-CE2 3.42Å; P121-F141 VanDerWaalsContact O-CZ 3.22Å; P121-F141 WeakPolarHBondContact O-CZ 3.28Å; S123-F141 WeakPolarHBondContact OG-CD2 3.42Å; I139-F141 HydrophobicContact CG2-CE2 4.36Å; F141-V164 CarbonylContact O-C 3.48Å; F141-V164 VanDerWaalsContact O-CA 3.32Å; F141-V164 WeakPolarHBondContact O-CA 3.33Å; F141-V165 HydrophobicContact CB-CG2 3.68Å; F141-V165 PolarHBondContact O-N 3.08Å; F141-K167 HydrophobicContact CD2-CB 3.91Å; F141-K167 HydrophobicContact CE1-CB 4.49Å; F141-K167 HydrophobicContact CE1-CD 4.31Å; F141-K167 HydrophobicContact CE2-CB 3.59Å; F141-K167 HydrophobicContact CE2-CD 4.12Å; F141-K167 HydrophobicContact CZ-CB 3.91Å; F141-K167 HydrophobicContact CZ-CD 3.68Å; F141-K167 HydrophobicContact CZ-CG 4.42Å
142E95.3Very high91.1Very high9 Ų937.1 Ų37.14%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-113.8121.9-175.5-178.1178137.600110.1L53 T54 R58 K144 R162 L163L53-E142 CarbonylContact C-O 3.58Å; L53-E142 WeakPolarHBondContact CA-O 3.38Å; T54-E142 PolarHBondContact N-O 2.86Å; T54-E142 PolarHBondContact O-N 2.8Å; R58-E142 IonicContact NH2-OE2 3.92Å; R58-E142 PolarHBondContact NH2-OE2 2.86Å; E142-K144 HydrophobicContact CG-CB 4.49Å; E142-R162 VanDerWaalsContact CD-CG 3.47Å; E142-R162 HydrophobicContact CG-CG 3.39Å; E142-R162 WeakPolarHBondContact OE1-CD 3.36Å; E142-R162 IonicContact OE1-NE 3.09Å; E142-R162 WeakPolarHBondContact OE2-CD 3.48Å; E142-R162 IonicContact OE2-CZ 3.74Å; E142-R162 IonicContact OE2-NE 2.61Å; E142-R162 PolarHBondContact OE2-NE 2.61Å; E142-R162 IonicContact OE2-NH1 2.8Å; E142-R162 IonicContact OE2-NH2 3.63Å; E142-R162 PolarHBondContact OE2-NH2 2.72Å; E142-R162 VanDerWaalsContact OE2-NH2 3.09Å; E142-L163 WeakPolarHBondContact CA-O 3.45Å
143V97Very high91.3Very high0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-99.8117167.1-176.30000107.6I16 I33 V51 M52 L53 F112 L114 R162 L163 V165I16-V143 HydrophobicContact CD1-CG1 4.41Å; I33-V143 HydrophobicContact CD1-CG2 3.94Å; I33-V143 HydrophobicContact CG2-CG2 4.31Å; V51-V143 HydrophobicContact CG1-CG1 4.06Å; M52-V143 WeakPolarHBondContact O-CA 3.37Å; L53-V143 HydrophobicContact CD1-CG2 4.18Å; F112-V143 HydrophobicContact CE2-CG1 4.34Å; F112-V143 HydrophobicContact CZ-CG1 4.34Å; L114-V143 HydrophobicContact CD1-CG1 4.42Å; V143-R162 WeakPolarHBondContact O-CA 3.3Å; V143-L163 PolarHBondContact N-O 3.4Å; V143-L163 PolarHBondContact O-N 2.67Å; V143-V165 HydrophobicContact CG2-CG1 4.11Å; V143-V165 HydrophobicContact CG2-CG2 4.07Å
144K96.3Very high91.7Very high30 Ų3040.4 Ų40.413%0.1321%0.214CC..EExtended strand (participates in β ladder)trans-123.5134.8-176.8-177.3-178172.1-172.30110.2V51 M52 E142 F146 Y160 V161V51-K144 CarbonylContact C-O 3.56Å; V51-K144 WeakPolarHBondContact CA-O 3.33Å; M52-K144 HydrophobicContact CE-CB 4.42Å; M52-K144 HydrophobicContact CE-CD 3.79Å; M52-K144 PolarHBondContact N-O 2.92Å; M52-K144 PolarHBondContact O-N 3.49Å; E142-K144 HydrophobicContact CG-CB 4.49Å; K144-F146 HydrophobicContact CD-CD1 4.41Å; K144-F146 HydrophobicContact CG-CD1 4.23Å; K144-Y160 HydrophobicContact CD-CD2 4.08Å; K144-Y160 HydrophobicContact CD-CE2 4.37Å; K144-Y160 HydrophobicContact CD-CG 4.24Å; K144-Y160 HydrophobicContact CG-CD2 3.91Å; K144-Y160 HydrophobicContact CG-CG 4.25Å; K144-V161 CarbonylContact C-O 3.53Å; K144-V161 VanDerWaalsContact CA-O 3.28Å; K144-V161 WeakPolarHBondContact CA-O 3.48Å
145S97Very high92.1Very high0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-125.1141.9170.8-175.20000111.4F50 Y160 V161F50-S145 VanDerWaalsContact O-CA 3.22Å; F50-S145 WeakPolarHBondContact O-CA 3.43Å; F50-S145 WeakPolarHBondContact O-CB 3.42Å; F50-S145 PolarHBondContact O-OG 3.08Å; S145-Y160 VanDerWaalsContact O-CA 3.3Å; S145-Y160 WeakPolarHBondContact O-CA 3.36Å; S145-Y160 WeakPolarHBondContact O-CB 3.44Å; S145-V161 PolarHBondContact N-O 3.05Å; S145-V161 PolarHBondContact O-N 2.88Å
146F96.6Very high92.3Very high3 Ų340.4 Ų40.41%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-156.5158.4-175.759.1-85.8000111.2F50 M52 K144 A148 V155F50-F146 HydrophobicContact CB-CD1 4.41Å; F50-F146 HydrophobicContact CB-CD2 4.37Å; F50-F146 HydrophobicContact CB-CE1 3.99Å; F50-F146 HydrophobicContact CB-CE2 3.97Å; F50-F146 HydrophobicContact CB-CZ 3.77Å; F50-F146 HydrophobicContact CD2-CD2 4.16Å; F50-F146 AromaticContact CD2-CE2 3.71Å; F50-F146 HydrophobicContact CD2-CE2 3.71Å; F50-F146 HydrophobicContact CD2-CZ 4.26Å; F50-F146 HydrophobicContact CG-CE2 4.12Å; F50-F146 HydrophobicContact CG-CZ 4.2Å; F50-F146 PolarHBondContact N-O 3.01Å; F50-F146 PolarHBondContact O-N 2.91Å; M52-F146 HydrophobicContact CB-CE1 4.26Å; M52-F146 HydrophobicContact CE-CE1 4.09Å; K144-F146 HydrophobicContact CD-CD1 4.41Å; K144-F146 HydrophobicContact CG-CD1 4.23Å; F146-A148 HydrophobicContact CD2-CB 3.75Å; F146-A148 HydrophobicContact CE2-CB 3.83Å; F146-V155 HydrophobicContact CB-CB 4.37Å; F146-V155 HydrophobicContact CB-CG1 4.19Å; F146-V155 HydrophobicContact CB-CG2 4.13Å; F146-V155 HydrophobicContact CD2-CG2 3.57Å; F146-V155 HydrophobicContact CE2-CG2 4.24Å; F146-V155 HydrophobicContact CG-CG2 4.07Å
147C96.1Very high92.3Very high3 Ų346.1 Ų46.12%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-106.3124.5170.6-61.70000110.4Y43 R47 K48Y43-C147 HydrophobicContact CD1-CB 4.16Å; Y43-C147 HydrophobicContact CE1-CB 3.77Å; R47-C147 HydrophobicContact CB-CB 4.18Å; R47-C147 PolarHBondContact NH1-O 2.89Å; K48-C147 CarbonylContact O-C 3.58Å; K48-C147 WeakPolarHBondContact O-CA 3.33Å
148A94.6Very high92.3Very high0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans-149.2169.4-177.300000111K48 F50 F146 N150 E153 V155K48-A148 WeakPolarHBondContact CB-O 3.44Å; K48-A148 PolarHBondContact N-O 2.79Å; K48-A148 PolarHBondContact O-N 2.86Å; F50-A148 HydrophobicContact CD2-CB 4.31Å; F50-A148 HydrophobicContact CE2-CB 4.19Å; F146-A148 HydrophobicContact CD2-CB 3.75Å; F146-A148 HydrophobicContact CE2-CB 3.83Å; A148-N150 WeakPolarHBondContact CB-O 3.41Å; A148-E153 HydrophobicContact CB-CB 4Å; A148-E153 WeakPolarHBondContact CB-OE2 3.47Å; A148-V155 HydrophobicContact CB-CG2 4.19Å
149E92.1Very high92.2Very high125 Ų12554.6 Ų54.658%0.58427%0.271SS*.SBendtrans-77.4-39.9171.1-67.2-174.6179.200111.1K48 E153K48-E149 WeakPolarHBondContact CE-O 3.49Å; K48-E149 PolarHBondContact NZ-O 2.85Å; E149-E153 PolarHBondContact N-OE2 2.88Å
150N90.5Very high92.2Very high81 Ų8156.4 Ų56.443%0.43328%0.279SS..SBendtrans-131150.1-177.6-60.4-43.7000110.9A148 E152 E153A148-N150 WeakPolarHBondContact CB-O 3.41Å; N150-E152 VanDerWaalsContact C-N 3.29Å; N150-E152 PolarHBondContact O-N 3.1Å; N150-E153 VanDerWaalsContact O-CB 3.31Å; N150-E153 WeakPolarHBondContact O-CB 3.42Å; N150-E153 PolarHBondContact O-N 3.36Å
151P88.3Confident92.4Very high47 Ų4755.5 Ų55.531%0.30527%0.274SS..THydrogen-bonded Turntrans-67.4-25-178.427.5-34.9000113.7F50 T79 E153F50-P151 HydrophobicContact CD1-CB 4.18Å; F50-P151 HydrophobicContact CE1-CB 3.95Å; F50-P151 HydrophobicContact CE1-CG 4.39Å; F50-P151 HydrophobicContact CZ-CB 4.23Å; T79-P151 HydrophobicContact CG2-CB 3.84Å; P151-E153 VanDerWaalsContact C-N 3.29Å
152E88.7Confident92.3Very high161 Ų16158.4 Ų58.475%0.75229%0.285SS*.THydrogen-bonded Turntrans-82.8-3.1177.5-52.296.5177.600113.9N150 T154N150-E152 VanDerWaalsContact C-N 3.29Å; N150-E152 PolarHBondContact O-N 3.1Å; E152-T154 PolarHBondContact O-N 2.88Å
153E88.2Confident92.2Very high94 Ų9458 Ų5844%0.43928%0.283SS..  trans-64.3131.5-178.6-166.3-174.9150.700111.2A148 E149 N150 P151 V155A148-E153 HydrophobicContact CB-CB 4Å; A148-E153 WeakPolarHBondContact CB-OE2 3.47Å; E149-E153 PolarHBondContact N-OE2 2.88Å; N150-E153 VanDerWaalsContact O-CB 3.31Å; N150-E153 WeakPolarHBondContact O-CB 3.42Å; N150-E153 PolarHBondContact O-N 3.36Å; P151-E153 VanDerWaalsContact C-N 3.29Å; E153-V155 PolarHBondContact O-N 3.5Å; E153-V155 VanDerWaalsContact O-N 3.1Å
154T87.4Confident92Very high139 Ų13959.8 Ų59.885%0.85329%0.294SS*.  trans-78.3101.7178-61.70000110.2E152E152-T154 PolarHBondContact O-N 2.88Å
155V89.2Confident92Very high19 Ų1958.4 Ų58.412%0.11529%0.287CS..  trans-86.8134.7178.8-175.90000111.5F146 A148 E153 D159 Y160F146-V155 HydrophobicContact CB-CB 4.37Å; F146-V155 HydrophobicContact CB-CG1 4.19Å; F146-V155 HydrophobicContact CB-CG2 4.13Å; F146-V155 HydrophobicContact CD2-CG2 3.57Å; F146-V155 HydrophobicContact CE2-CG2 4.24Å; F146-V155 HydrophobicContact CG-CG2 4.07Å; A148-V155 HydrophobicContact CB-CG2 4.19Å; E153-V155 PolarHBondContact O-N 3.5Å; E153-V155 VanDerWaalsContact O-N 3.1Å; V155-D159 HydrophobicContact CG1-CB 3.55Å; V155-Y160 HydrophobicContact CG1-CD1 4.43Å
156S89.8Confident91.8Very high59 Ų5959 Ų5941%0.41329%0.29SS..  trans-59.6148.5175.5-179.10000112.4R158 D159 Y160S156-R158 PolarHBondContact O-N 2.9Å; S156-R158 VanDerWaalsContact O-N 3.08Å; S156-D159 PolarHBondContact O-N 3.41Å; S156-Y160 WeakPolarHBondContact O-CD1 3.22Å
157K87.8Confident91.7Very high160 Ų16058.9 Ų58.970%0.69629%0.289SS*.G310 helixtrans-53.2-32179.9-67.8-173.8178.21720113.9D159 Y160K157-D159 VanDerWaalsContact C-N 3.29Å; K157-D159 PolarHBondContact O-N 2.75Å; K157-Y160 HydrophobicContact CB-CE1 4.24Å; K157-Y160 HydrophobicContact CG-CE1 4.12Å
158R90Very high91.5Very high161 Ų16159.4 Ų59.461%0.60829%0.292SS*.G310 helixtrans-73-22.6179.572.4-168.5178.3-179.7-2113.7N11 S156N11-R158 PolarHBondContact N-O 3.21Å; N11-R158 PolarHBondContact ND2-O 3.02Å; S156-R158 PolarHBondContact O-N 2.9Å; S156-R158 VanDerWaalsContact O-N 3.08Å
159D90.8Very high91.1Very high31 Ų3160 Ų6017%0.16630%0.295CS..G310 helixtrans-104.40.7-166.7-68.7-41.4000113N11 L14 Y43 V155 S156 K157N11-D159 PolarHBondContact ND2-OD1 3.47Å; L14-D159 WeakPolarHBondContact CD1-O 3.35Å; Y43-D159 VanDerWaalsContact OH-CB 3.28Å; Y43-D159 WeakPolarHBondContact OH-CB 3.08Å; Y43-D159 PolarHBondContact OH-O 3.32Å; Y43-D159 PolarHBondContact OH-OD1 3.06Å; V155-D159 HydrophobicContact CG1-CB 3.55Å; S156-D159 PolarHBondContact O-N 3.41Å; K157-D159 VanDerWaalsContact C-N 3.29Å; K157-D159 PolarHBondContact O-N 2.75Å
160Y93.6Very high90.7Very high40 Ų4054.7 Ų54.716%0.15727%0.27CS..EExtended strand (participates in β ladder)trans-125.3161.6170.872.1-110000111.6K144 S145 V155 S156 K157 R162K144-Y160 HydrophobicContact CD-CD2 4.08Å; K144-Y160 HydrophobicContact CD-CE2 4.37Å; K144-Y160 HydrophobicContact CD-CG 4.24Å; K144-Y160 HydrophobicContact CG-CD2 3.91Å; K144-Y160 HydrophobicContact CG-CG 4.25Å; S145-Y160 VanDerWaalsContact O-CA 3.3Å; S145-Y160 WeakPolarHBondContact O-CA 3.36Å; S145-Y160 WeakPolarHBondContact O-CB 3.44Å; V155-Y160 HydrophobicContact CG1-CD1 4.43Å; S156-Y160 WeakPolarHBondContact O-CD1 3.22Å; K157-Y160 HydrophobicContact CB-CE1 4.24Å; K157-Y160 HydrophobicContact CG-CE1 4.12Å; Y160-R162 HydrophobicContact CD2-CB 3.97Å; Y160-R162 HydrophobicContact CE2-CB 3.68Å
161V95.6Very high89.8Confident3 Ų351.2 Ų51.22%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-117.1139.2169.452.20000109.3K7 L14 I16 K144 S145 L163K7-V161 HydrophobicContact CB-CG2 4.02Å; K7-V161 HydrophobicContact CD-CG2 4.43Å; K7-V161 HydrophobicContact CG-CG2 4.03Å; K7-V161 WeakPolarHBondContact O-CG2 3.43Å; L14-V161 HydrophobicContact CB-CG1 4.02Å; I16-V161 HydrophobicContact CD1-CB 4.48Å; I16-V161 HydrophobicContact CD1-CG1 3.61Å; I16-V161 HydrophobicContact CD1-CG2 4.32Å; I16-V161 HydrophobicContact CG1-CG1 3.69Å; K144-V161 CarbonylContact C-O 3.53Å; K144-V161 VanDerWaalsContact CA-O 3.28Å; K144-V161 WeakPolarHBondContact CA-O 3.48Å; S145-V161 PolarHBondContact N-O 3.05Å; S145-V161 PolarHBondContact O-N 2.88Å; V161-L163 HydrophobicContact CG2-CD1 4.34Å
162R94.1Very high88.6Confident62 Ų6252.5 Ų52.523%0.23426%0.261CS..EExtended strand (participates in β ladder)trans-137.2127.6-173.2179.6-163160.9-172.46.2111.6K7 E142 V143 Y160K7-R162 VanDerWaalsContact CD-O 3.26Å; K7-R162 WeakPolarHBondContact CD-O 3.4Å; K7-R162 WeakPolarHBondContact CE-O 3.44Å; K7-R162 PolarHBondContact NZ-O 3.22Å; E142-R162 VanDerWaalsContact CD-CG 3.47Å; E142-R162 HydrophobicContact CG-CG 3.39Å; E142-R162 WeakPolarHBondContact OE1-CD 3.36Å; E142-R162 IonicContact OE1-NE 3.09Å; E142-R162 WeakPolarHBondContact OE2-CD 3.48Å; E142-R162 IonicContact OE2-CZ 3.74Å; E142-R162 IonicContact OE2-NE 2.61Å; E142-R162 PolarHBondContact OE2-NE 2.61Å; E142-R162 IonicContact OE2-NH1 2.8Å; E142-R162 IonicContact OE2-NH2 3.63Å; E142-R162 PolarHBondContact OE2-NH2 2.72Å; E142-R162 VanDerWaalsContact OE2-NH2 3.09Å; V143-R162 WeakPolarHBondContact O-CA 3.3Å; Y160-R162 HydrophobicContact CD2-CB 3.97Å; Y160-R162 HydrophobicContact CE2-CB 3.68Å
163L93.4Very high87.1Confident0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-119.9140.9175.3-5092.9000109.1K7 I16 L18 E142 V143 V161 F368K7-L163 HydrophobicContact CB-CD2 3.65Å; K7-L163 HydrophobicContact CB-CG 3.96Å; K7-L163 HydrophobicContact CD-CG 4.17Å; I16-L163 HydrophobicContact CB-CD1 3.54Å; I16-L163 HydrophobicContact CB-CD2 4.48Å; I16-L163 HydrophobicContact CD1-CD1 3.21Å; I16-L163 HydrophobicContact CG1-CD1 3.94Å; I16-L163 HydrophobicContact CG2-CD1 3.68Å; I16-L163 HydrophobicContact CG2-CD2 4.4Å; L18-L163 HydrophobicContact CD1-CD2 4.4Å; E142-L163 WeakPolarHBondContact CA-O 3.45Å; V143-L163 PolarHBondContact N-O 3.4Å; V143-L163 PolarHBondContact O-N 2.67Å; V161-L163 HydrophobicContact CG2-CD1 4.34Å; L163-F368 HydrophobicContact CB-CD1 3.97Å; L163-F368 HydrophobicContact CB-CD2 4.31Å; L163-F368 HydrophobicContact CB-CE1 3.74Å; L163-F368 HydrophobicContact CB-CE2 4.07Å; L163-F368 HydrophobicContact CB-CG 4.28Å; L163-F368 HydrophobicContact CB-CZ 3.8Å; L163-F368 HydrophobicContact CD2-CB 3.76Å; L163-F368 HydrophobicContact CD2-CD1 3.95Å; L163-F368 HydrophobicContact CD2-CD2 3.27Å; L163-F368 HydrophobicContact CD2-CE1 4.4Å; L163-F368 HydrophobicContact CD2-CE2 3.77Å; L163-F368 HydrophobicContact CD2-CG 3.38Å; L163-F368 HydrophobicContact CD2-CZ 4.32Å; L163-F368 HydrophobicContact CG-CD1 4.29Å; L163-F368 HydrophobicContact CG-CD2 4.31Å; L163-F368 HydrophobicContact CG-CG 4.21Å
164V93.1Very high85.9Confident38 Ų3852.8 Ų52.823%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-104.7111.8174.5-179.60000107.9D140 F141 F368D140-V164 HydrophobicContact CB-CG1 4.19Å; F141-V164 CarbonylContact O-C 3.48Å; F141-V164 VanDerWaalsContact O-CA 3.32Å; F141-V164 WeakPolarHBondContact O-CA 3.33Å; V164-F368 VanDerWaalsContact O-CE1 3.25Å; V164-F368 WeakPolarHBondContact O-CE1 3.38Å; V164-F368 WeakPolarHBondContact O-CZ 3.28Å
165V94.6Very high84.4Confident0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-99160.5178-610000109.4L18 R21 F23 I33 M116 F141 V143 F368L18-V165 HydrophobicContact CD1-CG1 3.85Å; R21-V165 CarbonylContact O-C 3.55Å; R21-V165 VanDerWaalsContact O-CA 3.27Å; R21-V165 WeakPolarHBondContact O-CA 3.22Å; R21-V165 WeakPolarHBondContact O-CB 3.46Å; F23-V165 HydrophobicContact CD2-CB 4.02Å; F23-V165 HydrophobicContact CD2-CG1 4.46Å; F23-V165 HydrophobicContact CD2-CG2 4.29Å; F23-V165 HydrophobicContact CE2-CB 3.92Å; F23-V165 HydrophobicContact CE2-CG1 3.84Å; F23-V165 HydrophobicContact CE2-CG2 4.38Å; I33-V165 HydrophobicContact CD1-CG2 4.25Å; M116-V165 HydrophobicContact CE-CG2 4.28Å; F141-V165 HydrophobicContact CB-CG2 3.68Å; F141-V165 PolarHBondContact O-N 3.08Å; V143-V165 HydrophobicContact CG2-CG1 4.11Å; V143-V165 HydrophobicContact CG2-CG2 4.07Å; V165-F368 HydrophobicContact CG1-CE2 4.36Å; V165-F368 HydrophobicContact CG1-CZ 3.95Å
166R94.3Very high83.3Confident14 Ų1451.7 Ų51.75%0.05328%0.28CS..EExtended strand (participates in β ladder)trans-105.2139173.4-66.1-172-67.1-166.3-5.1111.1R21 D22 F23 S123 V168 D287 D294 R370R21-R166 PolarHBondContact O-N 3.39Å; D22-R166 CarbonylContact C-O 3.58Å; D22-R166 WeakPolarHBondContact CA-O 3.39Å; D22-R166 HydrophobicContact CB-CB 4.46Å; D22-R166 WeakPolarHBondContact OD1-CB 3.49Å; D22-R166 IonicContact OD1-CZ 2.99Å; D22-R166 IonicContact OD1-NE 3.61Å; D22-R166 PolarHBondContact OD1-NE 3.41Å; D22-R166 IonicContact OD1-NH2 2.79Å; D22-R166 PolarHBondContact OD1-NH2 2.66Å; D22-R166 IonicContact OD2-CZ 3.92Å; D22-R166 IonicContact OD2-NE 3.31Å; D22-R166 IonicContact OD2-NH2 2.91Å; D22-R166 PolarHBondContact OD2-NH2 3.5Å; F23-R166 PolarHBondContact N-O 2.97Å; S123-R166 WeakPolarHBondContact OG-CA 3.38Å; R166-V168 HydrophobicContact CB-CG1 4.03Å; R166-D287 WeakPolarHBondContact CD-O 3.41Å; R166-D287 IonicContact NH1-OD1 2.76Å; R166-D287 PolarHBondContact NH1-OD1 3.04Å; R166-D287 IonicContact NH1-OD2 3.4Å; R166-D294 PolarHBondContact NH1-O 3.46Å; R166-D294 PolarHBondContact NH2-O 2.8Å; R166-D294 VanDerWaalsContact NH2-O 3.15Å; R166-D294 IonicContact NH2-OD1 3.46Å; R166-D294 IonicContact NH2-OD2 2.77Å; R166-D294 PolarHBondContact NH2-OD2 2.89Å; R166-R370 VanDerWaalsContact NE-NH1 3.1Å
167K93.7Very high82.8Confident0 Ų055 Ų550%030%0.3CS..EExtended strand (participates in β ladder)trans-95.3112.8159.8-170.7-168.4-166.9-1360107.4F23 D25 V30 M116 T118 L120 P121 C122 S123 F141F23-K167 CarbonylContact O-C 3.55Å; F23-K167 WeakPolarHBondContact O-CA 3.26Å; D25-K167 HydrophobicContact CB-CG 4.25Å; D25-K167 VanDerWaalsContact OD2-CE 3.3Å; D25-K167 WeakPolarHBondContact OD2-CE 3.42Å; D25-K167 IonicContact OD2-NZ 3.82Å; D25-K167 PolarHBondContact OD2-NZ 3.4Å; V30-K167 HydrophobicContact CG1-CG 4.41Å; M116-K167 HydrophobicContact SD-CB 4.29Å; M116-K167 HydrophobicContact SD-CD 4.27Å; M116-K167 HydrophobicContact SD-CG 4.14Å; T118-K167 PolarHBondContact O-NZ 3.44Å; L120-K167 PolarHBondContact O-NZ 3.22Å; P121-K167 WeakPolarHBondContact O-CD 3.48Å; C122-K167 WeakPolarHBondContact CB-O 3.47Å; S123-K167 PolarHBondContact N-O 2.96Å; S123-K167 PolarHBondContact OG-N 3.18Å; F141-K167 HydrophobicContact CD2-CB 3.91Å; F141-K167 HydrophobicContact CE1-CB 4.49Å; F141-K167 HydrophobicContact CE1-CD 4.31Å; F141-K167 HydrophobicContact CE2-CB 3.59Å; F141-K167 HydrophobicContact CE2-CD 4.12Å; F141-K167 HydrophobicContact CZ-CB 3.91Å; F141-K167 HydrophobicContact CZ-CD 3.68Å; F141-K167 HydrophobicContact CZ-CG 4.42Å
168V91.4Very high82.7Confident14 Ų1448.3 Ų48.39%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-106.8131.4-176.6-66.30000110.5D22 F23 V24 D25 R166 F170D22-V168 HydrophobicContact CB-CG1 4.26Å; D22-V168 HydrophobicContact CB-CG2 4.31Å; F23-V168 PolarHBondContact O-N 3.02Å; V24-V168 HydrophobicContact CB-CG2 4.48Å; V24-V168 HydrophobicContact CG2-CG2 3.88Å; D25-V168 PolarHBondContact N-O 3.45Å; R166-V168 HydrophobicContact CB-CG1 4.03Å; V168-F170 PolarHBondContact O-N 3.19Å
169Q86.4Confident82.9Confident13 Ų1341.4 Ų41.46%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-76119.5-179.4-171.36957.900110.4D25 C122 I302 I349 H350D25-Q169 PolarHBondContact O-NE2 3Å; C122-Q169 PolarHBondContact SG-OE1 2.92Å; C122-Q169 VanDerWaalsContact SG-OE1 3.4Å; Q169-I302 HydrophobicContact CG-CD1 3.99Å; Q169-I302 HydrophobicContact CG-CG1 4.47Å; Q169-I349 HydrophobicContact CG-CG2 4.27Å; Q169-H350 PolarHBondContact O-N 2.92Å
170F84.1Confident83.1Confident12 Ų1243.5 Ų43.55%0.05327%0.27CS..BIsolated β-bridgetrans-109.3147.9157.2171.3-103.8000108.2V24 D25 H26 V168 P172 Y206 H350 K352V24-F170 HydrophobicContact CG1-CB 3.37Å; V24-F170 HydrophobicContact CG1-CG 4.21Å; D25-F170 CarbonylContact O-C 3.55Å; D25-F170 WeakPolarHBondContact O-CA 3.32Å; D25-F170 WeakPolarHBondContact O-CB 3.49Å; D25-F170 PolarHBondContact O-N 3.35Å; H26-F170 AromaticContact ND1-CD1 3.39Å; H26-F170 WeakPolarHBondContact ND1-CD1 3.45Å; H26-F170 AromaticContact ND1-CE1 3.87Å; V168-F170 PolarHBondContact O-N 3.19Å; F170-P172 HydrophobicContact CE1-CB 4.48Å; F170-P172 HydrophobicContact CE1-CG 3.96Å; F170-Y206 HydrophobicContact CE2-CE1 4.46Å; F170-H350 WeakPolarHBondContact CD2-O 3.41Å; F170-K352 HydrophobicContact CD2-CB 4.23Å; F170-K352 HydrophobicContact CE1-CG 4.35Å; F170-K352 HydrophobicContact CE2-CB 3.44Å; F170-K352 VanDerWaalsContact CE2-CB 3.44Å; F170-K352 HydrophobicContact CE2-CG 4.01Å; F170-K352 VanDerWaalsContact CE2-N 3.29Å; F170-K352 HydrophobicContact CZ-CB 3.67Å; F170-K352 HydrophobicContact CZ-CD 4.25Å; F170-K352 HydrophobicContact CZ-CG 3.77Å
171A70.4Confident83.3Confident9 Ų942.8 Ų42.87%0.07427%0.272CS..  trans-137.1127.7168.200000107.7V27 I302 I349V27-A171 HydrophobicContact CG2-CB 3.99Å; A171-I302 HydrophobicContact CB-CD1 3.55Å; A171-I349 HydrophobicContact CB-CD1 3.6Å; A171-I349 WeakPolarHBondContact O-CD1 3.46Å
172P64.4Low83.3Confident74 Ų7449.3 Ų49.348%0.48130%0.303SS..  trans-57.6132.2166-1426000108.1F170 E174F170-P172 HydrophobicContact CE1-CB 4.48Å; F170-P172 HydrophobicContact CE1-CG 3.96Å; P172-E174 PolarHBondContact O-N 2.81Å
173P57.1Low83.4Confident75 Ų7548.7 Ų48.749%0.48731%0.305SS..  trans-69.5109.7177.425.9-28.3000108.4A175 Y206P173-A175 PolarHBondContact O-N 3.41Å; P173-Y206 WeakPolarHBondContact CD-OH 2.94Å
174E62.1Low83.5Confident186 Ų18653.2 Ų53.287%0.86933%0.329SS*.  trans-75.1103.8145.8-72.1-170176.400105.5P172 G176P172-E174 PolarHBondContact O-N 2.81Å; E174-G176 PolarHBondContact O-N 3.22Å
175A57.3Low83.4Confident93 Ų9357.6 Ų57.677%0.76934%0.341SS*.  trans-69.370176.100000109.6P173P173-A175 PolarHBondContact O-N 3.41Å
176G65.9Low83.1Confident42 Ų4266.3 Ų66.343%0.43337%0.374SS..PPolyproline II helixtrans-60.7161.9160.900000110E174 G178E174-G176 PolarHBondContact O-N 3.22Å; G176-G178 PolarHBondContact O-N 2.93Å
177P78.6Confident82.5Confident127 Ų12766.5 Ų66.583%0.82538%0.375SS*.PPolyproline II helixtrans-57.6130.6173.426.3-33.1000109.2
178G85.2Confident81.7Confident20 Ų2074.1 Ų74.121%0.20642%0.415CS..PPolyproline II helixtrans-59.4157.8176.600000112.3G176 M200G176-G178 PolarHBondContact O-N 2.93Å; G178-M200 CarbonylContact C-O 3.58Å; G178-M200 VanDerWaalsContact CA-O 3.31Å; G178-M200 WeakPolarHBondContact CA-O 3.42Å
179P94Very high80.9Confident16 Ų1681.4 Ų81.410%0.10445%0.453CS..PPolyproline II helixtrans-67.7142.8-175.727.8-35.1000111.1W199 M200 L344 P345P179-W199 CarbonylContact O-C 3.55Å; P179-W199 WeakPolarHBondContact O-CA 3.49Å; P179-W199 WeakPolarHBondContact O-CB 3.17Å; P179-M200 HydrophobicContact CG-CB 4.25Å; P179-M200 HydrophobicContact CG-CE 3.35Å; P179-M200 PolarHBondContact O-N 2.89Å; P179-L344 HydrophobicContact CB-CB 4.38Å; P179-L344 HydrophobicContact CB-CD2 4.39Å; P179-L344 HydrophobicContact CG-CB 4.26Å; P179-P345 HydrophobicContact CB-CG 3.82Å; P179-P345 HydrophobicContact CG-CG 4.43Å
180S95.7Very high80.4Confident75 Ų7581.6 Ų81.652%0.52446%0.456SS..EExtended strand (participates in β ladder)trans-134.8135.7173.4168.50000109.7A198S180-A198 WeakPolarHBondContact CA-O 3.46Å
181A97.3Very high80.1Confident25 Ų2585.3 Ų85.321%0.20749%0.488CS..EExtended strand (participates in β ladder)trans-133.9144.6175.100000110.2Q197 A198 V342 L344A181-Q197 WeakPolarHBondContact O-CA 3.42Å; A181-A198 PolarHBondContact N-O 3.37Å; A181-A198 PolarHBondContact O-N 3.32Å; A181-V342 HydrophobicContact CB-CB 3.92Å; A181-V342 HydrophobicContact CB-CG1 4.33Å; A181-V342 HydrophobicContact CB-CG2 4.47Å; A181-L344 HydrophobicContact CB-CD2 3.55Å
182Q96.9Very high81.1Confident141 Ų14190.1 Ų90.166%0.65951%0.509SS*.EExtended strand (participates in β ladder)trans-137.3149.3176.468.9178.718.900110.8L196 Q197Q182-L196 CarbonylContact C-O 3.58Å; Q182-L196 VanDerWaalsContact CA-O 3.24Å; Q182-L196 WeakPolarHBondContact CA-O 3.27Å; Q182-Q197 HydrophobicContact CB-CB 4.22Å; Q182-Q197 HydrophobicContact CB-CG 4.17Å
183T96.1Very high82.4Confident48 Ų4887.3 Ų87.329%0.29449%0.491SS..EExtended strand (participates in β ladder)trans-141.3151174.3-168.10000110.7Q195 L196 V340 V342T183-Q195 WeakPolarHBondContact O-CA 3.39Å; T183-L196 HydrophobicContact CG2-CB 4Å; T183-L196 HydrophobicContact CG2-CD2 4.26Å; T183-L196 HydrophobicContact CG2-CG 4.47Å; T183-L196 PolarHBondContact N-O 3.42Å; T183-L196 PolarHBondContact O-N 3.12Å; T183-V340 HydrophobicContact CG2-CG1 3.76Å; T183-V342 HydrophobicContact CG2-CG1 3.6Å
184I94.3Very high84.2Confident95 Ų9583.7 Ų83.749%0.48747%0.468SS..EExtended strand (participates in β ladder)trans-125.4115.5177.9-55.7-177.6000107.6P193 L194 Q195I184-P193 HydrophobicContact CG2-CB 3.58Å; I184-P193 HydrophobicContact CG2-CG 4.2Å; I184-L194 CarbonylContact C-O 3.49Å; I184-L194 WeakPolarHBondContact CA-O 2.98Å; I184-Q195 HydrophobicContact CD1-CG 4.44Å; I184-Q195 HydrophobicContact CG1-CG 4.12Å; I184-Q195 HydrophobicContact CG2-CG 4.28Å
185R91.2Very high85.8Confident130 Ų13078.4 Ų78.449%0.49144%0.443SS..EExtended strand (participates in β ladder)trans-108.3129.3178.6-170.370.4174.2-175-2.7110.7F187 P193 L194 V340R185-F187 HydrophobicContact CB-CE2 4.32Å; R185-F187 HydrophobicContact CB-CZ 4.4Å; R185-F187 HydrophobicContact CG-CE1 4.12Å; R185-F187 HydrophobicContact CG-CE2 4.05Å; R185-F187 HydrophobicContact CG-CZ 3.82Å; R185-P193 WeakPolarHBondContact O-CA 3.37Å; R185-L194 PolarHBondContact N-O 3.37Å; R185-L194 PolarHBondContact O-N 2.75Å; R185-V340 HydrophobicContact CB-CG1 3.99Å; R185-V340 HydrophobicContact CB-CG2 3.79Å; R185-V340 HydrophobicContact CG-CG2 3.67Å
186R88.6Confident87.7Confident183 Ų18374.1 Ų74.169%0.69141%0.407SS*.  trans-100.6136.1167.2-65.9178.2-178-114.62.8108.8P193R186-P193 HydrophobicContact CG-CB 4.08Å
187F82.8Confident89.2Confident18 Ų1875.4 Ų75.48%0.07940%0.402CS..  trans-106.7148176.4-63.8-85.7000110.4R185 L189 S190 L194 T221 K223 V326 V340R185-F187 HydrophobicContact CB-CE2 4.32Å; R185-F187 HydrophobicContact CB-CZ 4.4Å; R185-F187 HydrophobicContact CG-CE1 4.12Å; R185-F187 HydrophobicContact CG-CE2 4.05Å; R185-F187 HydrophobicContact CG-CZ 3.82Å; F187-L189 PolarHBondContact O-N 2.87Å; F187-S190 PolarHBondContact O-N 3.15Å; F187-L194 HydrophobicContact CE2-CB 3.84Å; F187-L194 HydrophobicContact CE2-CD2 3.95Å; F187-L194 HydrophobicContact CZ-CD2 4.17Å; F187-T221 HydrophobicContact CD2-CG2 3.85Å; F187-T221 HydrophobicContact CE2-CG2 4.12Å; F187-K223 HydrophobicContact CB-CD 4.19Å; F187-K223 VanDerWaalsContact CB-CE 3.42Å; F187-K223 HydrophobicContact CD1-CD 3.99Å; F187-K223 HydrophobicContact CD2-CD 4.17Å; F187-K223 HydrophobicContact CE1-CD 4.42Å; F187-K223 HydrophobicContact CG-CD 3.85Å; F187-V326 HydrophobicContact CE1-CB 4.48Å; F187-V326 HydrophobicContact CE1-CG1 4.34Å; F187-V326 HydrophobicContact CE2-CG1 4.46Å; F187-V326 HydrophobicContact CZ-CB 4.21Å; F187-V326 HydrophobicContact CZ-CG1 4Å; F187-V326 HydrophobicContact CZ-CG2 3.93Å; F187-V340 HydrophobicContact CE1-CG2 4.36Å; F187-V340 HydrophobicContact CZ-CG2 3.71Å
188L75.5Confident90.1Very high160 Ų16069.4 Ų69.484%0.83836%0.363SS*.THydrogen-bonded Turntrans-57.2137.7167.6-63.6172.9000109.1S190L188-S190 PolarHBondContact O-N 3.26Å
189L74.1Confident90.7Very high167 Ų16772 Ų7287%0.87437%0.366SS*.THydrogen-bonded Turntrans66.812.7-178.1-49.6170000115.6F187 N222F187-L189 PolarHBondContact O-N 2.87Å; L189-N222 PolarHBondContact O-ND2 2.89Å; L189-N222 VanDerWaalsContact O-ND2 3.09Å
190S76.3Confident90.8Very high18 Ų1871.4 Ų71.413%0.12636%0.362CS..  trans-115123.2166.3-177.50000109.7F187 L188 Q192 T221F187-S190 PolarHBondContact O-N 3.15Å; L188-S190 PolarHBondContact O-N 3.26Å; S190-Q192 VanDerWaalsContact C-N 3.28Å; S190-Q192 PolarHBondContact O-N 3.09Å; S190-Q192 PolarHBondContact OG-O 3Å; S190-T221 WeakPolarHBondContact OG-CA 3.5Å; S190-T221 WeakPolarHBondContact OG-CB 3.37Å
191A78.7Confident90.5Very high89 Ų8973.1 Ų73.174%0.73637%0.365SS*.SBendtrans-69.7-28.217900000112.7
192Q90.4Very high90.1Very high110 Ų11073.4 Ų73.451%0.51437%0.366SS..SBendtrans-114.9154-173.7-66-60.8-24.500111.4S190 C220S190-Q192 VanDerWaalsContact C-N 3.28Å; S190-Q192 PolarHBondContact O-N 3.09Å; S190-Q192 PolarHBondContact OG-O 3Å; Q192-C220 HydrophobicContact CB-CB 3.67Å; Q192-C220 WeakPolarHBondContact CB-O 3.3Å; Q192-C220 HydrophobicContact CG-CB 4.46Å
193P92.4Very high89.6Confident15 Ų1570.6 Ų70.610%0.09735%0.353CS..  trans-87.3162.3-174.235.2-35.5000113.6I184 R185 R186 C220I184-P193 HydrophobicContact CG2-CB 3.58Å; I184-P193 HydrophobicContact CG2-CG 4.2Å; R185-P193 WeakPolarHBondContact O-CA 3.37Å; R186-P193 HydrophobicContact CG-CB 4.08Å; P193-C220 WeakPolarHBondContact O-CB 3.42Å; P193-C220 PolarHBondContact O-N 2.89Å
194L93.8Very high89.3Confident0 Ų069.8 Ų69.80%035%0.348CS..EExtended strand (participates in β ladder)trans-96128.6161.3173.461.5000108.5I184 R185 F187 I217 N219 T221 I225 L324 V326 V340I184-L194 CarbonylContact C-O 3.49Å; I184-L194 WeakPolarHBondContact CA-O 2.98Å; R185-L194 PolarHBondContact N-O 3.37Å; R185-L194 PolarHBondContact O-N 2.75Å; F187-L194 HydrophobicContact CE2-CB 3.84Å; F187-L194 HydrophobicContact CE2-CD2 3.95Å; F187-L194 HydrophobicContact CZ-CD2 4.17Å; L194-I217 HydrophobicContact CD1-CG2 3.72Å; L194-N219 HydrophobicContact CD1-CB 3.76Å; L194-T221 HydrophobicContact CB-CG2 3.69Å; L194-I225 HydrophobicContact CD1-CD1 3.83Å; L194-I225 HydrophobicContact CD2-CD1 4.26Å; L194-L324 HydrophobicContact CD2-CD1 4.08Å; L194-V326 HydrophobicContact CD2-CG2 4.03Å; L194-V340 HydrophobicContact CD2-CB 4.39Å; L194-V340 HydrophobicContact CD2-CG2 4.23Å
195Q96.2Very high89.1Confident75 Ų7566.3 Ų66.335%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-111.1130.3172.5-49.1176.4-42.800109T183 I184 I217 N218T183-Q195 WeakPolarHBondContact O-CA 3.39Å; I184-Q195 HydrophobicContact CD1-CG 4.44Å; I184-Q195 HydrophobicContact CG1-CG 4.12Å; I184-Q195 HydrophobicContact CG2-CG 4.28Å; Q195-I217 WeakPolarHBondContact O-CA 3.36Å; Q195-N218 HydrophobicContact CB-CB 4.16Å; Q195-N218 PolarHBondContact N-O 3.1Å; Q195-N218 PolarHBondContact O-N 2.84Å; Q195-N218 PolarHBondContact OE1-ND2 2.78Å
196L97.5Very high89.2Confident2 Ų262 Ų621%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-122.4129.1173.716565.6000107.8Q182 T183 V215 I217 V322 L324 V342Q182-L196 CarbonylContact C-O 3.58Å; Q182-L196 VanDerWaalsContact CA-O 3.24Å; Q182-L196 WeakPolarHBondContact CA-O 3.27Å; T183-L196 HydrophobicContact CG2-CB 4Å; T183-L196 HydrophobicContact CG2-CD2 4.26Å; T183-L196 HydrophobicContact CG2-CG 4.47Å; T183-L196 PolarHBondContact N-O 3.42Å; T183-L196 PolarHBondContact O-N 3.12Å; L196-V215 HydrophobicContact CD1-CG1 3.79Å; L196-I217 HydrophobicContact CD1-CG1 4.06Å; L196-V322 HydrophobicContact CD1-CG1 4.3Å; L196-L324 HydrophobicContact CB-CD1 4Å; L196-L324 HydrophobicContact CD1-CD1 4.04Å; L196-L324 HydrophobicContact CD1-CD2 4.36Å; L196-L324 HydrophobicContact CD1-CG 4.3Å; L196-L324 HydrophobicContact CD2-CD1 3.97Å; L196-L324 HydrophobicContact CD2-CG 3.96Å; L196-L324 HydrophobicContact CG-CD1 4.21Å; L196-V342 HydrophobicContact CD2-CG1 4.19Å; L196-V342 HydrophobicContact CD2-CG2 4.1Å; L196-V342 HydrophobicContact CG-CG1 4.35Å; L196-V342 HydrophobicContact CG-CG2 4.28Å
197Q97.8Very high89.3Confident70 Ų7054.4 Ų54.433%0.32729%0.286SS..EExtended strand (participates in β ladder)trans-126.8136.7171.3-174.5-179.915.700108.8A181 Q182 W199 S216A181-Q197 WeakPolarHBondContact O-CA 3.42Å; Q182-Q197 HydrophobicContact CB-CB 4.22Å; Q182-Q197 HydrophobicContact CB-CG 4.17Å; Q197-W199 HydrophobicContact CG-CE3 3.96Å; Q197-W199 HydrophobicContact CG-CZ3 4.14Å; Q197-S216 PolarHBondContact N-O 3.04Å; Q197-S216 PolarHBondContact O-N 3.32Å
198A98Very high89.7Confident0 Ų056 Ų560%031%0.307CS..EExtended strand (participates in β ladder)trans-135.3147.117100000110.5S180 A181 N214 V215 V322 V342 L344S180-A198 WeakPolarHBondContact CA-O 3.46Å; A181-A198 PolarHBondContact N-O 3.37Å; A181-A198 PolarHBondContact O-N 3.32Å; A198-N214 CarbonylContact C-O 3.57Å; A198-N214 WeakPolarHBondContact CA-O 3.37Å; A198-V215 HydrophobicContact CB-CG2 4.42Å; A198-V322 HydrophobicContact CB-CB 4.34Å; A198-V322 HydrophobicContact CB-CG2 3.89Å; A198-V342 HydrophobicContact CB-CG2 3.66Å; A198-L344 HydrophobicContact CB-CD1 4.06Å; A198-L344 WeakPolarHBondContact O-CD2 3.49Å
199W97.5Very high90.4Very high76 Ų7653 Ų5329%0.28829%0.289SS..EExtended strand (participates in β ladder)trans-152.6159.5176.966.796.8000112P179 Q197 N214P179-W199 CarbonylContact O-C 3.55Å; P179-W199 WeakPolarHBondContact O-CA 3.49Å; P179-W199 WeakPolarHBondContact O-CB 3.17Å; Q197-W199 HydrophobicContact CG-CE3 3.96Å; Q197-W199 HydrophobicContact CG-CZ3 4.14Å; W199-N214 HydrophobicContact CD2-CB 3.6Å; W199-N214 HydrophobicContact CE3-CB 4.11Å; W199-N214 HydrophobicContact CG-CB 4.05Å; W199-N214 HydrophobicContact CH2-CB 4Å; W199-N214 HydrophobicContact CZ2-CB 3.47Å; W199-N214 VanDerWaalsContact CZ2-CB 3.47Å; W199-N214 HydrophobicContact CZ3-CB 4.3Å; W199-N214 PolarHBondContact N-O 2.69Å; W199-N214 PolarHBondContact NE1-ND2 3.46Å; W199-N214 VanDerWaalsContact NE1-ND2 3.18Å; W199-N214 WeakPolarHBondContact O-CB 3.35Å; W199-N214 PolarHBondContact O-N 3.09Å
200M95.1Very high91.4Very high3 Ų349.1 Ų49.12%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-118.2155.2170.7-60.7-175.1-57.600109.4G178 P179 S202 I211 V213 V320 L344 P345 L346G178-M200 CarbonylContact C-O 3.58Å; G178-M200 VanDerWaalsContact CA-O 3.31Å; G178-M200 WeakPolarHBondContact CA-O 3.42Å; P179-M200 HydrophobicContact CG-CB 4.25Å; P179-M200 HydrophobicContact CG-CE 3.35Å; P179-M200 PolarHBondContact O-N 2.89Å; M200-S202 VanDerWaalsContact C-N 3.31Å; M200-S202 WeakPolarHBondContact CB-O 3.46Å; M200-I211 HydrophobicContact SD-CG2 3.56Å; M200-I211 VanDerWaalsContact SD-CG2 3.56Å; M200-V213 HydrophobicContact CG-CG2 4.35Å; M200-V213 HydrophobicContact SD-CG2 4.33Å; M200-V320 HydrophobicContact CE-CG2 4.4Å; M200-V320 HydrophobicContact SD-CG2 3.82Å; M200-L344 HydrophobicContact CE-CB 4.27Å; M200-L344 HydrophobicContact CG-CD1 3.97Å; M200-P345 WeakPolarHBondContact CE-O 3.48Å; M200-L346 HydrophobicContact CE-CD1 4.28Å
201D89.3Confident92.3Very high110 Ų11048.3 Ų48.359%0.58827%0.268SS*.SBendtrans-74.9-25.5-178.8-55.8-41000112.1N214D201-N214 PolarHBondContact OD1-ND2 2.77Å
202S89.3Confident93.1Very high31 Ų3145.9 Ų45.922%0.21725%0.245CC..  trans-137.5153.7177.4178.70000109.6M200 V204 H205M200-S202 VanDerWaalsContact C-N 3.31Å; M200-S202 WeakPolarHBondContact CB-O 3.46Å; S202-V204 PolarHBondContact OG-N 2.99Å; S202-V204 VanDerWaalsContact OG-N 3.1Å; S202-V204 PolarHBondContact OG-O 2.97Å; S202-H205 PolarHBondContact O-NE2 3.2Å
203E86.5Confident93.4Very high83 Ų8340.6 Ų40.639%0.38822%0.221SC..SBendtrans-83.4-30.5167.6-170.2176.5-172.300111.8V347E203-V347 HydrophobicContact CG-CG2 4.03Å; E203-V347 PolarHBondContact O-N 2.9Å
204V89.7Confident93.7Very high30 Ų3041.1 Ų41.118%0.18222%0.222CC..EExtended strand (participates in β ladder)trans-96.8126.6-176.1-175.80000110S202 V347 I349S202-V204 PolarHBondContact OG-N 2.99Å; S202-V204 VanDerWaalsContact OG-N 3.1Å; S202-V204 PolarHBondContact OG-O 2.97Å; V204-V347 CarbonylContact C-O 3.52Å; V204-V347 WeakPolarHBondContact CA-O 3.26Å; V204-V347 HydrophobicContact CG1-CG1 4.34Å; V204-V347 HydrophobicContact CG2-CB 4.08Å; V204-V347 HydrophobicContact CG2-CG1 4.05Å; V204-I349 HydrophobicContact CG1-CD1 3.34Å; V204-I349 HydrophobicContact CG1-CG1 3.76Å
205H91.2Very high93.9Very high23 Ų2341.1 Ų41.111%0.10622%0.222CC..EExtended strand (participates in β ladder)trans-134.3156.8177.9-69.3-85.6000111S202 I211 L346 V347 L348 I349S202-H205 PolarHBondContact O-NE2 3.2Å; H205-I211 HydrophobicContact CB-CD1 4.15Å; H205-I211 HydrophobicContact CB-CG1 4Å; H205-L346 HydrophobicContact CB-CD1 4.06Å; H205-L346 VanDerWaalsContact CD2-CD1 3.46Å; H205-L346 WeakPolarHBondContact CD2-CD1 3.43Å; H205-V347 PolarHBondContact N-O 3.33Å; H205-L348 HydrophobicContact CB-CD1 4.42Å; H205-L348 WeakPolarHBondContact O-CA 3.36Å; H205-I349 PolarHBondContact O-N 3.18Å
206Y91.8Very high93.9Very high40 Ų4039.2 Ų39.216%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-103.7145.4-176.2-59.5-63.7000112.7F170 P173 G208 E209 I349 H350 P351F170-Y206 HydrophobicContact CE2-CE1 4.46Å; P173-Y206 WeakPolarHBondContact CD-OH 2.94Å; Y206-G208 PolarHBondContact O-N 3.12Å; Y206-E209 WeakPolarHBondContact CD2-OE2 3.42Å; Y206-E209 PolarHBondContact O-N 3.47Å; Y206-E209 VanDerWaalsContact O-N 3.12Å; Y206-I349 CarbonylContact C-O 3.55Å; Y206-I349 VanDerWaalsContact CA-O 3.27Å; Y206-I349 WeakPolarHBondContact CA-O 3.35Å; Y206-I349 HydrophobicContact CD1-CD1 4.35Å; Y206-I349 HydrophobicContact CD1-CG1 3.83Å; Y206-I349 HydrophobicContact CE1-CD1 3.8Å; Y206-I349 HydrophobicContact CE1-CG1 3.79Å; Y206-H350 VanDerWaalsContact CD1-O 3.28Å; Y206-H350 WeakPolarHBondContact CD1-O 3.34Å; Y206-H350 WeakPolarHBondContact CE1-O 3.45Å; Y206-P351 VanDerWaalsContact CD1-CA 3.42Å; Y206-P351 HydrophobicContact CD1-CB 4.18Å; Y206-P351 HydrophobicContact CG-CB 4.14Å
207H91.8Very high93.9Very high23 Ų2339.2 Ų39.211%0.10622%0.218CC..THydrogen-bonded Turntrans-54.3130.7173.6-69.8-67.6000110.9E209 L297 S299 L348 I349 H350H207-E209 VanDerWaalsContact C-N 3.28Å; H207-E209 PolarHBondContact O-N 3.09Å; H207-L297 PolarHBondContact CE1-O 3Å; H207-L297 PolarHBondContact NE2-O 3.41Å; H207-S299 PolarHBondContact NE2-OG 3.08Å; H207-S299 VanDerWaalsContact NE2-OG 3.08Å; H207-L348 VanDerWaalsContact CE1-CD2 3.46Å; H207-L348 WeakPolarHBondContact CE1-CD2 3.3Å; H207-L348 VanDerWaalsContact CE1-CG 3.49Å; H207-L348 WeakPolarHBondContact CE1-CG 3.42Å; H207-L348 WeakPolarHBondContact ND1-CD2 3.39Å; H207-I349 PolarHBondContact CD2-O 3.47Å; H207-I349 PolarHBondContact N-O 3.21Å; H207-H350 AromaticContact CD2-CE1 3.8Å; H207-H350 AromaticContact CD2-CG 3.94Å; H207-H350 AromaticContact CD2-ND1 3.8Å; H207-H350 AromaticContact CD2-NE2 3.95Å
208G90Very high93.9Very high51 Ų5138.8 Ų38.853%0.52622%0.217SC..THydrogen-bonded Turntrans83.9-10.6179.400000115.3Y206Y206-G208 PolarHBondContact O-N 3.12Å
209E92.1Very high93.7Very high97 Ų9738.8 Ų38.845%0.45322%0.217SC..SBendtrans-90.5142176.5-66.2-172.6178.300112Y206 H207Y206-E209 WeakPolarHBondContact CD2-OE2 3.42Å; Y206-E209 PolarHBondContact O-N 3.47Å; Y206-E209 VanDerWaalsContact O-N 3.12Å; H207-E209 VanDerWaalsContact C-N 3.28Å; H207-E209 PolarHBondContact O-N 3.09Å
210P94.3Very high93.5Very high86 Ų8636.9 Ų36.956%0.55822%0.216SC*.PPolyproline II helixtrans-66.6134.3174.6-19.832.2000112.8A270P210-A270 HydrophobicContact CB-CB 4.4Å
211I94.6Very high93.3Very high0 Ų036.8 Ų36.80%022%0.215CC..EExtended strand (participates in β ladder)trans-95.6122.5175.3-54.6177.4000108.7M200 H205 V213 A270 V271 P273 L346M200-I211 HydrophobicContact SD-CG2 3.56Å; M200-I211 VanDerWaalsContact SD-CG2 3.56Å; H205-I211 HydrophobicContact CB-CD1 4.15Å; H205-I211 HydrophobicContact CB-CG1 4Å; I211-V213 HydrophobicContact CG2-CG2 4.16Å; I211-A270 CarbonylContact O-C 3.55Å; I211-A270 WeakPolarHBondContact O-CA 3.47Å; I211-V271 WeakPolarHBondContact CA-O 3.28Å; I211-V271 VanDerWaalsContact CB-O 3.3Å; I211-V271 WeakPolarHBondContact CB-O 3.37Å; I211-V271 PolarHBondContact N-O 3.43Å; I211-V271 PolarHBondContact O-N 3.36Å; I211-P273 HydrophobicContact CD1-CG 3.81Å; I211-L346 HydrophobicContact CD1-CD1 3.89Å; I211-L346 HydrophobicContact CD1-CD2 3.71Å; I211-L346 HydrophobicContact CD1-CG 4.48Å
212S95.4Very high93.2Very high38 Ų3836.2 Ų36.227%0.26621%0.212SC..EExtended strand (participates in β ladder)trans-84.1112.1175.4179.90000110.3S268S212-S268 PolarHBondContact OG-OG 3.16Å
213V97.4Very high93.2Very high0 Ų035.9 Ų35.90%021%0.207CC..EExtended strand (participates in β ladder)trans-109.6107.1177.6-175.20000108.7M200 I211 V215 I230 F269 V271 V320 V322M200-V213 HydrophobicContact CG-CG2 4.35Å; M200-V213 HydrophobicContact SD-CG2 4.33Å; I211-V213 HydrophobicContact CG2-CG2 4.16Å; V213-V215 HydrophobicContact CG1-CG2 4.29Å; V213-I230 HydrophobicContact CB-CD1 4.47Å; V213-I230 HydrophobicContact CG1-CD1 4.39Å; V213-F269 PolarHBondContact N-O 3.32Å; V213-F269 PolarHBondContact O-N 3.31Å; V213-V271 HydrophobicContact CG2-CG2 4.28Å; V213-V320 HydrophobicContact CG1-CG1 4.22Å; V213-V320 HydrophobicContact CG2-CG1 3.96Å; V213-V322 HydrophobicContact CG1-CG2 3.91Å
214N97.6Very high93.4Very high25 Ų2534.7 Ų34.713%0.13421%0.205CC..EExtended strand (participates in β ladder)trans-84.1132.1178.1-59-69.1000109.9A198 W199 D201 S268A198-N214 CarbonylContact C-O 3.57Å; A198-N214 WeakPolarHBondContact CA-O 3.37Å; W199-N214 HydrophobicContact CD2-CB 3.6Å; W199-N214 HydrophobicContact CE3-CB 4.11Å; W199-N214 HydrophobicContact CG-CB 4.05Å; W199-N214 HydrophobicContact CH2-CB 4Å; W199-N214 HydrophobicContact CZ2-CB 3.47Å; W199-N214 VanDerWaalsContact CZ2-CB 3.47Å; W199-N214 HydrophobicContact CZ3-CB 4.3Å; W199-N214 PolarHBondContact N-O 2.69Å; W199-N214 PolarHBondContact NE1-ND2 3.46Å; W199-N214 VanDerWaalsContact NE1-ND2 3.18Å; W199-N214 WeakPolarHBondContact O-CB 3.35Å; W199-N214 PolarHBondContact O-N 3.09Å; D201-N214 PolarHBondContact OD1-ND2 2.77Å; N214-S268 VanDerWaalsContact OD1-CB 3.31Å; N214-S268 WeakPolarHBondContact OD1-CB 3.43Å; N214-S268 PolarHBondContact OD1-OG 3.34Å
215V98Very high93.5Very high0 Ų033.3 Ų33.30%020%0.197CC..EExtended strand (participates in β ladder)trans-129.2124.5-179-179.60000109.5L196 A198 V213 I217 I230 S266 Q267 F269 V322L196-V215 HydrophobicContact CD1-CG1 3.79Å; A198-V215 HydrophobicContact CB-CG2 4.42Å; V213-V215 HydrophobicContact CG1-CG2 4.29Å; V215-I217 HydrophobicContact CG1-CD1 4.18Å; V215-I217 HydrophobicContact CG1-CG1 3.98Å; V215-I230 HydrophobicContact CG2-CD1 4.47Å; V215-S266 VanDerWaalsContact O-CA 3.31Å; V215-S266 WeakPolarHBondContact O-CA 3.19Å; V215-Q267 PolarHBondContact N-O 3.2Å; V215-Q267 PolarHBondContact O-N 2.83Å; V215-F269 HydrophobicContact CB-CD2 4.33Å; V215-F269 HydrophobicContact CB-CE2 4.03Å; V215-F269 HydrophobicContact CG2-CD2 3.9Å; V215-F269 HydrophobicContact CG2-CE2 4.02Å; V215-V322 HydrophobicContact CG1-CG1 4.11Å; V215-V322 HydrophobicContact CG2-CG1 3.85Å; V215-V322 HydrophobicContact CG2-CG2 4.16Å
216S97.9Very high93.5Very high36 Ų3636.5 Ų36.525%0.25221%0.21SC..EExtended strand (participates in β ladder)trans-120.3128.6174.3-179.70000110.1Q197 F265Q197-S216 PolarHBondContact N-O 3.04Å; Q197-S216 PolarHBondContact O-N 3.32Å; S216-F265 WeakPolarHBondContact CA-O 3.35Å
217I97.5Very high93.5Very high1 Ų138.1 Ų38.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-125.8123.8-176.3-56.1172.2000107.6L194 Q195 L196 V215 N219 I225 I228 V259 S264 F265 L324L194-I217 HydrophobicContact CD1-CG2 3.72Å; Q195-I217 WeakPolarHBondContact O-CA 3.36Å; L196-I217 HydrophobicContact CD1-CG1 4.06Å; V215-I217 HydrophobicContact CG1-CD1 4.18Å; V215-I217 HydrophobicContact CG1-CG1 3.98Å; I217-N219 HydrophobicContact CG2-CB 4.35Å; I217-I225 HydrophobicContact CD1-CD1 4.45Å; I217-I225 HydrophobicContact CG2-CD1 3.58Å; I217-I228 HydrophobicContact CD1-CD1 3.83Å; I217-I228 HydrophobicContact CD1-CG1 4.29Å; I217-V259 HydrophobicContact CD1-CG2 4.07Å; I217-V259 HydrophobicContact CG2-CG1 4.38Å; I217-S264 CarbonylContact O-C 3.16Å; I217-S264 VanDerWaalsContact O-CA 3.24Å; I217-S264 WeakPolarHBondContact O-CA 3.47Å; I217-F265 HydrophobicContact CB-CB 4.31Å; I217-F265 HydrophobicContact CD1-CD1 3.9Å; I217-F265 HydrophobicContact CG1-CD1 4.33Å; I217-F265 PolarHBondContact N-O 2.87Å; I217-F265 PolarHBondContact O-N 2.94Å; I217-L324 HydrophobicContact CD1-CD1 4.08Å; I217-L324 HydrophobicContact CD1-CD2 3.51Å; I217-L324 HydrophobicContact CD1-CG 4.46Å; I217-L324 HydrophobicContact CG1-CD1 4.25Å; I217-L324 HydrophobicContact CG1-CD2 4.34Å; I217-L324 HydrophobicContact CG2-CD1 4.34Å
218N96.4Very high93.7Very high61 Ų6137 Ų3733%0.32621%0.213SC..EExtended strand (participates in β ladder)trans-113.197.4168.8-176.319.3000108.3Q195 C220Q195-N218 HydrophobicContact CB-CB 4.16Å; Q195-N218 PolarHBondContact N-O 3.1Å; Q195-N218 PolarHBondContact O-N 2.84Å; Q195-N218 PolarHBondContact OE1-ND2 2.78Å; N218-C220 PolarHBondContact O-N 2.85Å; N218-C220 PolarHBondContact OD1-SG 3.4Å
219N94.5Very high94Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-95.585.6-176.3-17718.6000110.6L194 I217 T221 K223 I225 V259 A260 N262 S263L194-N219 HydrophobicContact CD1-CB 3.76Å; I217-N219 HydrophobicContact CG2-CB 4.35Å; N219-T221 PolarHBondContact O-N 3.35Å; N219-T221 WeakPolarHBondContact OD1-CB 3.3Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.45Å; N219-T221 PolarHBondContact OD1-N 3.01Å; N219-T221 VanDerWaalsContact OD1-N 3.1Å; N219-T221 PolarHBondContact OD1-OG1 3.01Å; N219-K223 PolarHBondContact ND2-O 3.24Å; N219-I225 HydrophobicContact CB-CD1 4.38Å; N219-V259 HydrophobicContact CB-CG1 4.04Å; N219-A260 PolarHBondContact ND2-O 3.18Å; N219-N262 CarbonylContact O-C 3.49Å; N219-N262 WeakPolarHBondContact O-CA 3.45Å; N219-N262 PolarHBondContact O-N 3.02Å; N219-S263 WeakPolarHBondContact CA-O 3.5Å; N219-S263 WeakPolarHBondContact CB-O 3.29Å; N219-S263 PolarHBondContact N-O 3.46Å; N219-S263 PolarHBondContact O-N 3.03Å
220C92.9Very high94.2Very high37 Ų3732.9 Ų32.925%0.2518%0.179CC..  trans-81.86171.9-56.70000112.6Q192 P193 N218 N262Q192-C220 HydrophobicContact CB-CB 3.67Å; Q192-C220 WeakPolarHBondContact CB-O 3.3Å; Q192-C220 HydrophobicContact CG-CB 4.46Å; P193-C220 WeakPolarHBondContact O-CB 3.42Å; P193-C220 PolarHBondContact O-N 2.89Å; N218-C220 PolarHBondContact O-N 2.85Å; N218-C220 PolarHBondContact OD1-SG 3.4Å; C220-N262 PolarHBondContact O-OD1 3.35Å
221T90.9Very high94.3Very high1 Ų129 Ų291%0.00615%0.154CC..SBendtrans-83.9168.5-177.581.50000111.7F187 S190 L194 N219 K223 A261 N262F187-T221 HydrophobicContact CD2-CG2 3.85Å; F187-T221 HydrophobicContact CE2-CG2 4.12Å; S190-T221 WeakPolarHBondContact OG-CA 3.5Å; S190-T221 WeakPolarHBondContact OG-CB 3.37Å; L194-T221 HydrophobicContact CB-CG2 3.69Å; N219-T221 PolarHBondContact O-N 3.35Å; N219-T221 WeakPolarHBondContact OD1-CB 3.3Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.45Å; N219-T221 PolarHBondContact OD1-N 3.01Å; N219-T221 VanDerWaalsContact OD1-N 3.1Å; N219-T221 PolarHBondContact OD1-OG1 3.01Å; T221-K223 PolarHBondContact O-N 2.88Å; T221-K223 PolarHBondContact OG1-N 3.27Å; T221-A261 WeakPolarHBondContact O-CA 3.48Å; T221-A261 VanDerWaalsContact O-CB 3.31Å; T221-A261 WeakPolarHBondContact O-CB 3.23Å; T221-N262 PolarHBondContact O-N 2.91Å
222N88.3Confident94.4Very high97 Ų9729 Ų2952%0.51915%0.154SC..SBendtrans-83.67.2169.363-3.1000113.9L189L189-N222 PolarHBondContact O-ND2 2.89Å; L189-N222 VanDerWaalsContact O-ND2 3.09Å
223K88.3Confident94.5Very high24 Ų2427.4 Ų27.410%0.10414%0.142CC..SBendtrans-100.8154.5-179-59.7-178.2-175.7-67.90110.8F187 N219 T221 V326F187-K223 HydrophobicContact CB-CD 4.19Å; F187-K223 VanDerWaalsContact CB-CE 3.42Å; F187-K223 HydrophobicContact CD1-CD 3.99Å; F187-K223 HydrophobicContact CD2-CD 4.17Å; F187-K223 HydrophobicContact CE1-CD 4.42Å; F187-K223 HydrophobicContact CG-CD 3.85Å; N219-K223 PolarHBondContact ND2-O 3.24Å; T221-K223 PolarHBondContact O-N 2.88Å; T221-K223 PolarHBondContact OG1-N 3.27Å; K223-V326 HydrophobicContact CB-CG1 3.61Å; K223-V326 HydrophobicContact CD-CG1 3.72Å; K223-V326 HydrophobicContact CG-CG1 4.3Å
224V90.3Very high94.4Very high59 Ų5927.5 Ų27.536%0.35814%0.143SC..PPolyproline II helixtrans-99.3136.9174.4179.60000109.2S327V224-S327 PolarHBondContact N-OG 2.83Å; V224-S327 VanDerWaalsContact O-CB 3.28Å; V224-S327 WeakPolarHBondContact O-CB 3.31Å; V224-S327 PolarHBondContact O-N 2.77Å; V224-S327 PolarHBondContact O-OG 3.3Å
225I92.6Very high94.3Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-86.4119.3168.5-63.6160000107L194 I217 N219 T258 V259 L324 V326L194-I225 HydrophobicContact CD1-CD1 3.83Å; L194-I225 HydrophobicContact CD2-CD1 4.26Å; I217-I225 HydrophobicContact CD1-CD1 4.45Å; I217-I225 HydrophobicContact CG2-CD1 3.58Å; N219-I225 HydrophobicContact CB-CD1 4.38Å; I225-T258 VanDerWaalsContact O-CA 3.26Å; I225-T258 WeakPolarHBondContact O-CA 3.43Å; I225-V259 HydrophobicContact CB-CB 4Å; I225-V259 HydrophobicContact CB-CG2 4.38Å; I225-V259 HydrophobicContact CD1-CB 3.94Å; I225-V259 HydrophobicContact CD1-CG1 4.4Å; I225-V259 HydrophobicContact CD1-CG2 4.33Å; I225-V259 HydrophobicContact CG1-CB 4.42Å; I225-V259 PolarHBondContact N-O 2.79Å; I225-V259 PolarHBondContact O-N 3.31Å; I225-V259 VanDerWaalsContact O-N 3.08Å; I225-L324 HydrophobicContact CD1-CD1 3.98Å; I225-L324 HydrophobicContact CG2-CB 4.19Å; I225-L324 HydrophobicContact CG2-CD2 4.38Å; I225-V326 HydrophobicContact CG1-CG2 4.26Å
226K91.3Very high94.2Very high91 Ų9126.9 Ų26.940%0.39614%0.14SC..EExtended strand (participates in β ladder)trans-80.6-37.7-175.7-70-178.3175.3176.20112M325 D334K226-M325 PolarHBondContact N-O 2.86Å; K226-D334 IonicContact NZ-OD1 3.9Å; K226-D334 PolarHBondContact NZ-OD1 3.25Å; K226-D334 IonicContact NZ-OD2 3.86Å; K226-D334 PolarHBondContact NZ-OD2 3.06Å
227K92.2Very high93.9Very high73 Ų7327.2 Ų27.232%0.31714%0.139SC..EExtended strand (participates in β ladder)trans-153.7154.1-173.5-65-178.6173.4-1760111E254 F255 M325K227-E254 IonicContact NZ-OE2 2.82Å; K227-E254 PolarHBondContact NZ-OE2 2.55Å; K227-F255 WeakPolarHBondContact CA-O 3.34Å; K227-F255 WeakPolarHBondContact CB-O 3.15Å; K227-M325 HydrophobicContact CB-CB 4.26Å; K227-M325 HydrophobicContact CB-CE 3.87Å; K227-M325 HydrophobicContact CB-SD 4.11Å; K227-M325 HydrophobicContact CD-CE 3.82Å; K227-M325 HydrophobicContact CD-SD 3.95Å; K227-M325 PolarHBondContact O-N 3.28Å
228I95.6Very high93.6Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-111.4128.4168-55.3172.1000107I217 I230 F255 E257 F265 F269 V322 L324I217-I228 HydrophobicContact CD1-CD1 3.83Å; I217-I228 HydrophobicContact CD1-CG1 4.29Å; I228-I230 HydrophobicContact CG2-CG1 4.39Å; I228-F255 HydrophobicContact CB-CB 4.21Å; I228-F255 PolarHBondContact N-O 3.48Å; I228-F255 WeakPolarHBondContact O-CB 3.06Å; I228-F255 PolarHBondContact O-N 2.78Å; I228-E257 HydrophobicContact CD1-CB 4.43Å; I228-F265 HydrophobicContact CD1-CD1 4.08Å; I228-F265 HydrophobicContact CD1-CE1 3.5Å; I228-F265 HydrophobicContact CD1-CZ 4Å; I228-F269 HydrophobicContact CD1-CE2 4.45Å; I228-F269 HydrophobicContact CD1-CZ 4.08Å; I228-V322 HydrophobicContact CG2-CG1 4.29Å; I228-L324 HydrophobicContact CB-CD2 4.41Å; I228-L324 HydrophobicContact CG1-CD2 3.86Å; I228-L324 HydrophobicContact CG2-CD2 4.18Å
229K96.1Very high93.2Very high61 Ų6125.9 Ų25.927%0.26513%0.133SC..EExtended strand (participates in β ladder)trans-116.7122.3178.7173.6173.7168.3166.40108.9I252 Q253 E254 N323 M325K229-I252 HydrophobicContact CD-CD1 4.34Å; K229-Q253 WeakPolarHBondContact CA-O 3.15Å; K229-E254 HydrophobicContact CB-CG 4.38Å; K229-E254 HydrophobicContact CD-CG 4.4Å; K229-E254 HydrophobicContact CG-CG 4.28Å; K229-N323 HydrophobicContact CB-CB 4.43Å; K229-N323 PolarHBondContact N-O 3.46Å; K229-N323 PolarHBondContact O-N 3.46Å; K229-M325 HydrophobicContact CB-CE 3.91Å; K229-M325 HydrophobicContact CD-CE 4.19Å
230I97.1Very high92.7Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-111.7127.4173.8-53-178.5000108.3V213 V215 I228 Q253 F255 F269 V271 V320 R321 V322V213-I230 HydrophobicContact CB-CD1 4.47Å; V213-I230 HydrophobicContact CG1-CD1 4.39Å; V215-I230 HydrophobicContact CG2-CD1 4.47Å; I228-I230 HydrophobicContact CG2-CG1 4.39Å; I230-Q253 PolarHBondContact N-O 2.93Å; I230-Q253 PolarHBondContact O-N 3.37Å; I230-F255 HydrophobicContact CB-CE2 4.05Å; I230-F255 HydrophobicContact CD1-CD2 4.24Å; I230-F255 HydrophobicContact CD1-CE2 3.72Å; I230-F255 HydrophobicContact CG1-CD2 4.13Å; I230-F255 HydrophobicContact CG1-CE2 3.81Å; I230-F269 HydrophobicContact CD1-CB 3.51Å; I230-F269 HydrophobicContact CD1-CD1 4.43Å; I230-F269 HydrophobicContact CD1-CD2 3.62Å; I230-F269 HydrophobicContact CD1-CE2 4.44Å; I230-F269 HydrophobicContact CD1-CG 3.6Å; I230-V271 HydrophobicContact CB-CG2 4.47Å; I230-V271 HydrophobicContact CG2-CG2 3.86Å; I230-V320 HydrophobicContact CG2-CG1 3.82Å; I230-R321 VanDerWaalsContact CA-O 3.31Å; I230-R321 WeakPolarHBondContact CA-O 3.3Å; I230-V322 HydrophobicContact CG1-CG2 4.39Å
231S96.2Very high92Very high6 Ų631.5 Ų31.54%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-129.7151.7173.671.10000111.4F251 V320 R321S231-F251 CarbonylContact C-O 3.54Å; S231-F251 WeakPolarHBondContact CA-O 3.32Å; S231-F251 WeakPolarHBondContact CB-O 3.31Å; S231-V320 CarbonylContact O-C 3.59Å; S231-V320 WeakPolarHBondContact O-CA 3.43Å; S231-R321 PolarHBondContact N-O 2.96Å; S231-R321 PolarHBondContact O-N 2.82Å
232V96.9Very high91.3Very high0 Ų032.4 Ų32.40%016%0.158CC..EExtended strand (participates in β ladder)trans-113.5122.5169.8-174.60000106.9T249 V250 F251 V271 P273 Y318 K319 V320 L346V232-T249 CarbonylContact O-C 3.53Å; V232-T249 WeakPolarHBondContact O-CA 3.03Å; V232-V250 HydrophobicContact CB-CG2 3.7Å; V232-V250 HydrophobicContact CG1-CG2 3.6Å; V232-V250 VanDerWaalsContact O-CG2 3.25Å; V232-V250 WeakPolarHBondContact O-CG2 3.4Å; V232-V250 PolarHBondContact O-N 3.18Å; V232-F251 HydrophobicContact CB-CB 4.06Å; V232-F251 HydrophobicContact CG2-CB 4.1Å; V232-F251 HydrophobicContact CG2-CD1 4.34Å; V232-F251 PolarHBondContact N-O 3.48Å; V232-F251 PolarHBondContact O-N 2.67Å; V232-V271 HydrophobicContact CG2-CG1 3.55Å; V232-P273 HydrophobicContact CB-CB 4.42Å; V232-P273 HydrophobicContact CG1-CB 4.27Å; V232-P273 HydrophobicContact CG2-CB 4.49Å; V232-Y318 HydrophobicContact CG1-CD1 4.21Å; V232-K319 WeakPolarHBondContact CA-O 3.32Å; V232-V320 HydrophobicContact CG2-CG2 4.32Å; V232-L346 HydrophobicContact CG1-CD2 3.83Å
233D95.6Very high91.1Very high3 Ų335.1 Ų35.12%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-109.4131.7179-65.6-15.7000109.8K248 T249 Y318 K319 R321D233-K248 WeakPolarHBondContact CA-O 3.48Å; D233-T249 WeakPolarHBondContact OD1-CA 3.31Å; D233-T249 WeakPolarHBondContact OD1-CB 3.42Å; D233-T249 PolarHBondContact OD1-OG1 2.85Å; D233-Y318 VanDerWaalsContact O-CA 3.32Å; D233-Y318 WeakPolarHBondContact O-CA 3.42Å; D233-K319 HydrophobicContact CB-CG 4.15Å; D233-K319 PolarHBondContact N-O 2.84Å; D233-K319 PolarHBondContact O-N 3.43Å; D233-R321 WeakPolarHBondContact OD2-CD 3.25Å; D233-R321 IonicContact OD2-CZ 3.42Å; D233-R321 IonicContact OD2-NE 3.18Å; D233-R321 PolarHBondContact OD2-NE 2.91Å; D233-R321 IonicContact OD2-NH1 2.77Å; D233-R321 PolarHBondContact OD2-NH1 3.47Å
234Q96.7Very high91Very high2 Ų236 Ų361%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-93.4130.6167.8-173.7-170.967.200108.5S247 K248 V250 L284 A285 V316 Y318Q234-S247 WeakPolarHBondContact O-CA 3.31Å; Q234-K248 PolarHBondContact N-O 2.89Å; Q234-K248 PolarHBondContact O-N 2.81Å; Q234-V250 HydrophobicContact CB-CG1 3.68Å; Q234-L284 HydrophobicContact CB-CD2 4.33Å; Q234-L284 VanDerWaalsContact OE1-CA 3.25Å; Q234-A285 PolarHBondContact NE2-O 2.9Å; Q234-V316 HydrophobicContact CG-CG1 3.96Å; Q234-Y318 HydrophobicContact CB-CD1 3.91Å; Q234-Y318 HydrophobicContact CB-CE1 3.61Å; Q234-Y318 HydrophobicContact CG-CD1 4.19Å; Q234-Y318 HydrophobicContact CG-CE1 3.64Å; Q234-Y318 HydrophobicContact CG-CE2 4.4Å; Q234-Y318 PolarHBondContact NE2-OH 3.42Å
235T95.6Very high91Very high12 Ų1240 Ų407%0.07419%0.19CC..EExtended strand (participates in β ladder)trans-116.5126.7172.4-580000109.2K245 Y246 S247 V316 S317T235-K245 HydrophobicContact CG2-CD 4.45Å; T235-K245 HydrophobicContact CG2-CG 4.31Å; T235-Y246 CarbonylContact C-O 3.4Å; T235-Y246 VanDerWaalsContact CA-O 3.32Å; T235-Y246 WeakPolarHBondContact CA-O 3.42Å; T235-S247 PolarHBondContact OG1-OG 3.31Å; T235-V316 WeakPolarHBondContact O-CA 3.36Å; T235-S317 PolarHBondContact N-O 2.97Å; T235-S317 PolarHBondContact O-N 2.79Å; T235-S317 PolarHBondContact O-OG 2.78Å
236T94.9Very high90.9Very high1 Ų140.6 Ų40.61%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-120.9114.9-179.5-54.70000109.3L126 K245 Y246 A285 I314 L315 V316L126-T236 HydrophobicContact CD2-CG2 4.2Å; T236-K245 WeakPolarHBondContact O-CA 3.02Å; T236-Y246 PolarHBondContact N-O 2.91Å; T236-Y246 PolarHBondContact O-N 2.99Å; T236-A285 HydrophobicContact CG2-CB 3.97Å; T236-A285 VanDerWaalsContact OG1-CB 3.31Å; T236-A285 WeakPolarHBondContact OG1-CB 3.48Å; T236-I314 HydrophobicContact CG2-CG2 3.43Å; T236-I314 VanDerWaalsContact CG2-CG2 3.43Å; T236-L315 CarbonylContact C-O 3.53Å; T236-L315 VanDerWaalsContact CA-O 3.29Å; T236-L315 WeakPolarHBondContact CA-O 3.35Å; T236-V316 HydrophobicContact CG2-CG2 4.42Å
237D93Very high91Very high43 Ų4339.2 Ų39.223%0.2319%0.194CC..EExtended strand (participates in β ladder)trans-102.3116.5174.1-57.7-62000108.5V239 K245 L315D237-V239 HydrophobicContact CB-CG1 4.29Å; D237-K245 WeakPolarHBondContact OD1-CD 3.31Å; D237-K245 VanDerWaalsContact OD1-CE 3.25Å; D237-K245 WeakPolarHBondContact OD1-CE 3.05Å; D237-K245 VanDerWaalsContact OD1-CG 3.25Å; D237-K245 WeakPolarHBondContact OD1-CG 3.42Å; D237-K245 IonicContact OD1-NZ 3Å; D237-K245 PolarHBondContact OD1-NZ 3.13Å; D237-L315 HydrophobicContact CB-CB 4.33Å; D237-L315 PolarHBondContact N-O 2.84Å; D237-L315 PolarHBondContact O-N 3.27Å
238V91.1Very high91Very high1 Ų137.6 Ų37.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-87129.3169.2-175.60000106.7F57 L126 S242 L243 D244 Y246F57-V238 HydrophobicContact CE2-CG1 4.29Å; F57-V238 HydrophobicContact CZ-CG1 4Å; L126-V238 HydrophobicContact CD2-CG2 4.23Å; V238-S242 CarbonylContact C-O 3.6Å; V238-L243 WeakPolarHBondContact O-CA 3.4Å; V238-D244 HydrophobicContact CB-CB 4.32Å; V238-D244 HydrophobicContact CG2-CB 4.48Å; V238-D244 PolarHBondContact N-O 3.38Å; V238-D244 PolarHBondContact O-N 3.06Å; V238-Y246 HydrophobicContact CG2-CD2 4.47Å; V238-Y246 HydrophobicContact CG2-CE2 4.01Å
239V87.8Confident90.9Very high32 Ų3240.6 Ų40.619%0.19421%0.206CC..  trans-128.7-7.1-167.9-64.10000115.1D237 S242 K309 G313 L315D237-V239 HydrophobicContact CB-CG1 4.29Å; V239-S242 PolarHBondContact N-O 3.32Å; V239-K309 WeakPolarHBondContact CG2-O 3.21Å; V239-G313 WeakPolarHBondContact CG2-O 3.4Å; V239-G313 PolarHBondContact N-O 2.63Å; V239-L315 HydrophobicContact CG1-CD1 4.11Å; V239-L315 HydrophobicContact CG1-CG 4.44Å; V239-L315 HydrophobicContact CG2-CG 4.38Å
240L83.2Confident90.8Very high28 Ų2838 Ų3815%0.14720%0.195CC..SBendtrans-104.2-25.4-169.8-175.2152.4000115F57 F71 K73 L75F57-L240 HydrophobicContact CB-CD1 4.44Å; F57-L240 HydrophobicContact CB-CD2 4.32Å; F57-L240 HydrophobicContact CD1-CD2 3.57Å; F57-L240 HydrophobicContact CE1-CD2 3.97Å; F57-L240 HydrophobicContact CG-CD1 4.49Å; F57-L240 HydrophobicContact CG-CD2 3.94Å; F71-L240 HydrophobicContact CE1-CD2 3.54Å; F71-L240 HydrophobicContact CZ-CD2 4.08Å; K73-L240 HydrophobicContact CB-CD2 4.17Å; K73-L240 HydrophobicContact CD-CD1 4.16Å; K73-L240 HydrophobicContact CD-CD2 3.64Å; K73-L240 HydrophobicContact CD-CG 4.2Å; L75-L240 HydrophobicContact CD2-CD1 3.56Å
241Y78.5Confident90.7Very high128 Ų12839.8 Ų39.850%0.50220%0.203SC..SBendtrans-127.2-49178.4-178.2-98.8000111.9Y59 F71Y59-Y241 AromaticContact CD1-CD1 3.38Å; Y59-Y241 HydrophobicContact CD1-CD1 3.38Å; Y59-Y241 AromaticContact CD1-CE1 3.53Å; Y59-Y241 HydrophobicContact CD1-CE1 3.53Å; Y59-Y241 HydrophobicContact CD1-CG 4.38Å; Y59-Y241 HydrophobicContact CD2-CD1 4.26Å; Y59-Y241 AromaticContact CE1-CD1 3.7Å; Y59-Y241 HydrophobicContact CE1-CD1 3.7Å; Y59-Y241 AromaticContact CE1-CE1 3.67Å; Y59-Y241 HydrophobicContact CE1-CE1 3.67Å; Y59-Y241 AromaticContact CG-CD1 3.71Å; Y59-Y241 HydrophobicContact CG-CD1 3.71Å; Y59-Y241 HydrophobicContact CG-CE1 4.32Å; Y59-Y241 HydrophobicContact CG-CG 4.4Å; F71-Y241 HydrophobicContact CB-CD2 3.76Å; F71-Y241 HydrophobicContact CB-CE1 4.49Å; F71-Y241 HydrophobicContact CB-CE2 3.7Å; F71-Y241 HydrophobicContact CB-CG 4.19Å; F71-Y241 AromaticContact CD1-CD2 3.55Å; F71-Y241 HydrophobicContact CD1-CD2 3.55Å; F71-Y241 HydrophobicContact CD1-CE2 4.31Å; F71-Y241 AromaticContact CD1-CG 3.87Å; F71-Y241 HydrophobicContact CD1-CG 3.87Å; F71-Y241 AromaticContact CD2-CD2 3.42Å; F71-Y241 HydrophobicContact CD2-CD2 3.42Å; F71-Y241 VanDerWaalsContact CD2-CD2 3.42Å; F71-Y241 AromaticContact CD2-CE2 3.48Å; F71-Y241 HydrophobicContact CD2-CE2 3.48Å; F71-Y241 VanDerWaalsContact CD2-CE2 3.48Å; F71-Y241 HydrophobicContact CD2-CG 4.48Å; F71-Y241 AromaticContact CE1-CD2 3.91Å; F71-Y241 HydrophobicContact CE1-CD2 3.91Å; F71-Y241 HydrophobicContact CE1-CG 4.35Å; F71-Y241 AromaticContact CE2-CD2 3.78Å; F71-Y241 HydrophobicContact CE2-CD2 3.78Å; F71-Y241 HydrophobicContact CE2-CE2 4.13Å; F71-Y241 AromaticContact CG-CD2 3.27Å; F71-Y241 HydrophobicContact CG-CD2 3.27Å; F71-Y241 AromaticContact CG-CE2 3.57Å; F71-Y241 HydrophobicContact CG-CE2 3.57Å; F71-Y241 AromaticContact CG-CG 3.93Å; F71-Y241 HydrophobicContact CG-CG 3.93Å; F71-Y241 AromaticContact CZ-CD2 4Å; F71-Y241 HydrophobicContact CZ-CD2 4Å
242S75.4Confident90.6Very high19 Ų1943.3 Ų43.313%0.13322%0.22CC..  trans-112.2158.6167.856.80000109.4Y59 V238 V239 D244Y59-S242 WeakPolarHBondContact CE2-OG 3.37Å; V238-S242 CarbonylContact C-O 3.6Å; V239-S242 PolarHBondContact N-O 3.32Å; S242-D244 VanDerWaalsContact C-N 3.26Å; S242-D244 VanDerWaalsContact CB-CG 3.45Å; S242-D244 VanDerWaalsContact CB-OD2 3.22Å; S242-D244 WeakPolarHBondContact CB-OD2 3.46Å; S242-D244 PolarHBondContact OG-OD2 2.99Å
243L84.1Confident90.5Very high154 Ų15447.5 Ų47.581%0.80624%0.24SC*.  trans-98.643.4170.4-66.5172.9000109.5V238V238-L243 WeakPolarHBondContact O-CA 3.4Å
244D86.6Confident90.4Very high43 Ų4351 Ų5123%0.2326%0.256CS..  trans-77.9142.7-175.7-62.5-27.5000110.4Y59 V238 S242 Y246Y59-D244 PolarHBondContact OH-OD2 3.47Å; V238-D244 HydrophobicContact CB-CB 4.32Å; V238-D244 HydrophobicContact CG2-CB 4.48Å; V238-D244 PolarHBondContact N-O 3.38Å; V238-D244 PolarHBondContact O-N 3.06Å; S242-D244 VanDerWaalsContact C-N 3.26Å; S242-D244 VanDerWaalsContact CB-CG 3.45Å; S242-D244 VanDerWaalsContact CB-OD2 3.22Å; S242-D244 WeakPolarHBondContact CB-OD2 3.46Å; S242-D244 PolarHBondContact OG-OD2 2.99Å; D244-Y246 HydrophobicContact CB-CD2 4.39Å; D244-Y246 HydrophobicContact CB-CE2 3.48Å; D244-Y246 VanDerWaalsContact CB-CE2 3.48Å; D244-Y246 PolarHBondContact OD2-OH 3.32Å
245K90.8Very high90.2Very high142 Ų14252.5 Ų52.562%0.61726%0.263SS*.EExtended strand (participates in β ladder)trans-126.6123.7176.6-178167.6-165.81530110.6T235 T236 D237T235-K245 HydrophobicContact CG2-CD 4.45Å; T235-K245 HydrophobicContact CG2-CG 4.31Å; T236-K245 WeakPolarHBondContact O-CA 3.02Å; D237-K245 WeakPolarHBondContact OD1-CD 3.31Å; D237-K245 VanDerWaalsContact OD1-CE 3.25Å; D237-K245 WeakPolarHBondContact OD1-CE 3.05Å; D237-K245 VanDerWaalsContact OD1-CG 3.25Å; D237-K245 WeakPolarHBondContact OD1-CG 3.42Å; D237-K245 IonicContact OD1-NZ 3Å; D237-K245 PolarHBondContact OD1-NZ 3.13Å
246Y90.9Very high90Very high14 Ų1457.4 Ų57.46%0.05529%0.292CS..EExtended strand (participates in β ladder)trans-112.7127.5176.9-55.3-98.5000108.1L126 P128 D132 G134 T235 T236 V238 D244L126-Y246 HydrophobicContact CD2-CD1 4.34Å; L126-Y246 HydrophobicContact CD2-CD2 3.41Å; L126-Y246 VanDerWaalsContact CD2-CD2 3.41Å; L126-Y246 HydrophobicContact CD2-CE1 4.3Å; L126-Y246 HydrophobicContact CD2-CE2 3.4Å; L126-Y246 HydrophobicContact CD2-CG 3.91Å; P128-Y246 HydrophobicContact CB-CE1 4.47Å; P128-Y246 HydrophobicContact CG-CE1 4.44Å; D132-Y246 HydrophobicContact CB-CD1 4.45Å; D132-Y246 HydrophobicContact CB-CE1 4.03Å; G134-Y246 WeakPolarHBondContact CA-OH 3.42Å; T235-Y246 CarbonylContact C-O 3.4Å; T235-Y246 VanDerWaalsContact CA-O 3.32Å; T235-Y246 WeakPolarHBondContact CA-O 3.42Å; T236-Y246 PolarHBondContact N-O 2.91Å; T236-Y246 PolarHBondContact O-N 2.99Å; V238-Y246 HydrophobicContact CG2-CD2 4.47Å; V238-Y246 HydrophobicContact CG2-CE2 4.01Å; D244-Y246 HydrophobicContact CB-CD2 4.39Å; D244-Y246 HydrophobicContact CB-CE2 3.48Å; D244-Y246 VanDerWaalsContact CB-CE2 3.48Å; D244-Y246 PolarHBondContact OD2-OH 3.32Å
247S92.6Very high89.8Confident61 Ų6159.8 Ų59.843%0.42730%0.303SS..EExtended strand (participates in β ladder)trans-127.2120170.9-161.20000108.4Q234 T235Q234-S247 WeakPolarHBondContact O-CA 3.31Å; T235-S247 PolarHBondContact OG1-OG 3.31Å
248K92.9Very high89.7Confident39 Ų3962.3 Ų62.317%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-137142.9-176.3-60.5-64.2-178.9-172.40109.1D132 D233 Q234 V250 G283 L284D132-K248 IonicContact OD1-NZ 3.09Å; D132-K248 PolarHBondContact OD1-NZ 2.86Å; D132-K248 WeakPolarHBondContact OD2-CE 3.38Å; D132-K248 IonicContact OD2-NZ 3.98Å; D132-K248 PolarHBondContact OD2-NZ 2.76Å; D233-K248 WeakPolarHBondContact CA-O 3.48Å; Q234-K248 PolarHBondContact N-O 2.89Å; Q234-K248 PolarHBondContact O-N 2.81Å; K248-V250 PolarHBondContact O-N 3.03Å; K248-G283 WeakPolarHBondContact CG-O 3.25Å; K248-L284 HydrophobicContact CB-CD2 3.57Å; K248-L284 HydrophobicContact CG-CD2 4.33Å
249T93.7Very high89.8Confident64 Ų6462.4 Ų62.439%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-81.8117176.9-60.50000109.7V232 D233 F251 I252V232-T249 CarbonylContact O-C 3.53Å; V232-T249 WeakPolarHBondContact O-CA 3.03Å; D233-T249 WeakPolarHBondContact OD1-CA 3.31Å; D233-T249 WeakPolarHBondContact OD1-CB 3.42Å; D233-T249 PolarHBondContact OD1-OG1 2.85Å; T249-F251 WeakPolarHBondContact CG2-O 3.36Å; T249-I252 HydrophobicContact CG2-CB 4Å
250V94.3Very high90.1Very high5 Ų563.4 Ų63.43%0.0333%0.333CS..EExtended strand (participates in β ladder)trans-84.9-28.2178.1-64.70000112.3V232 Q234 K248 P273 L284 L297 Y318V232-V250 HydrophobicContact CB-CG2 3.7Å; V232-V250 HydrophobicContact CG1-CG2 3.6Å; V232-V250 VanDerWaalsContact O-CG2 3.25Å; V232-V250 WeakPolarHBondContact O-CG2 3.4Å; V232-V250 PolarHBondContact O-N 3.18Å; Q234-V250 HydrophobicContact CB-CG1 3.68Å; K248-V250 PolarHBondContact O-N 3.03Å; V250-P273 HydrophobicContact CG2-CB 3.88Å; V250-L284 HydrophobicContact CG1-CD1 4.24Å; V250-L284 HydrophobicContact CG1-CD2 3.52Å; V250-L297 HydrophobicContact CB-CD1 4.16Å; V250-L297 HydrophobicContact CG1-CD1 4.17Å; V250-L297 HydrophobicContact CG1-CD2 3.98Å; V250-L297 HydrophobicContact CG2-CD1 4.44Å; V250-Y318 HydrophobicContact CG1-CE1 4.39Å; V250-Y318 HydrophobicContact CG2-CD1 4.45Å; V250-Y318 HydrophobicContact CG2-CE1 4.37Å
251F94.5Very high90.5Very high39 Ų3963.8 Ų63.817%0.17134%0.34CS..EExtended strand (participates in β ladder)trans-144.3141.9179177.2-86000109.9S231 V232 T249 Q253 V271 P273S231-F251 CarbonylContact C-O 3.54Å; S231-F251 WeakPolarHBondContact CA-O 3.32Å; S231-F251 WeakPolarHBondContact CB-O 3.31Å; V232-F251 HydrophobicContact CB-CB 4.06Å; V232-F251 HydrophobicContact CG2-CB 4.1Å; V232-F251 HydrophobicContact CG2-CD1 4.34Å; V232-F251 PolarHBondContact N-O 3.48Å; V232-F251 PolarHBondContact O-N 2.67Å; T249-F251 WeakPolarHBondContact CG2-O 3.36Å; F251-Q253 HydrophobicContact CE1-CB 3.53Å; F251-Q253 HydrophobicContact CZ-CB 3.62Å; F251-Q253 HydrophobicContact CZ-CG 4.5Å; F251-V271 HydrophobicContact CD1-CB 4.47Å; F251-V271 HydrophobicContact CD1-CG1 3.34Å; F251-V271 HydrophobicContact CD2-CG1 4.42Å; F251-V271 HydrophobicContact CE1-CB 4.12Å; F251-V271 HydrophobicContact CE1-CG1 3.43Å; F251-V271 VanDerWaalsContact CE1-CG1 3.43Å; F251-V271 HydrophobicContact CE1-CG2 3.9Å; F251-V271 HydrophobicContact CE2-CG1 4.49Å; F251-V271 HydrophobicContact CG-CG1 3.87Å; F251-V271 HydrophobicContact CZ-CB 4.5Å; F251-V271 HydrophobicContact CZ-CG1 4.03Å; F251-V271 HydrophobicContact CZ-CG2 4.46Å; F251-P273 HydrophobicContact CB-CB 4.36Å
252I94.4Very high91.1Very high80 Ų8063.5 Ų63.541%0.4135%0.347SS..EExtended strand (participates in β ladder)trans-147.5128.1175-177.8171.9000109K229 T249K229-I252 HydrophobicContact CD-CD1 4.34Å; T249-I252 HydrophobicContact CG2-CB 4Å
253Q93.9Very high92.1Very high88 Ų8864.4 Ų64.441%0.41135%0.353SS..EExtended strand (participates in β ladder)trans-135.3131.3172.9-174.662.759.400109.5K229 I230 F251 F255K229-Q253 WeakPolarHBondContact CA-O 3.15Å; I230-Q253 PolarHBondContact N-O 2.93Å; I230-Q253 PolarHBondContact O-N 3.37Å; F251-Q253 HydrophobicContact CE1-CB 3.53Å; F251-Q253 HydrophobicContact CZ-CB 3.62Å; F251-Q253 HydrophobicContact CZ-CG 4.5Å; Q253-F255 HydrophobicContact CB-CE2 3.88Å; Q253-F255 HydrophobicContact CB-CZ 3.96Å; Q253-F255 HydrophobicContact CG-CD1 4.32Å; Q253-F255 HydrophobicContact CG-CD2 4.25Å; Q253-F255 HydrophobicContact CG-CE1 3.74Å; Q253-F255 HydrophobicContact CG-CE2 3.67Å; Q253-F255 HydrophobicContact CG-CZ 3.38Å
254E93.8Very high92.6Very high75 Ų7561.6 Ų61.635%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-99.9135.7168.3-63.1-170175.300109.5K227 K229 M325K227-E254 IonicContact NZ-OE2 2.82Å; K227-E254 PolarHBondContact NZ-OE2 2.55Å; K229-E254 HydrophobicContact CB-CG 4.38Å; K229-E254 HydrophobicContact CD-CG 4.4Å; K229-E254 HydrophobicContact CG-CG 4.28Å; E254-M325 HydrophobicContact CG-CE 4.21Å
255F93.1Very high93.1Very high35 Ų3561.4 Ų61.415%0.15434%0.344CS..EExtended strand (participates in β ladder)trans-114.1127.3-178.8-65.8-76.5000107.7K227 I228 I230 Q253 E257 F269K227-F255 WeakPolarHBondContact CA-O 3.34Å; K227-F255 WeakPolarHBondContact CB-O 3.15Å; I228-F255 HydrophobicContact CB-CB 4.21Å; I228-F255 PolarHBondContact N-O 3.48Å; I228-F255 WeakPolarHBondContact O-CB 3.06Å; I228-F255 PolarHBondContact O-N 2.78Å; I230-F255 HydrophobicContact CB-CE2 4.05Å; I230-F255 HydrophobicContact CD1-CD2 4.24Å; I230-F255 HydrophobicContact CD1-CE2 3.72Å; I230-F255 HydrophobicContact CG1-CD2 4.13Å; I230-F255 HydrophobicContact CG1-CE2 3.81Å; Q253-F255 HydrophobicContact CB-CE2 3.88Å; Q253-F255 HydrophobicContact CB-CZ 3.96Å; Q253-F255 HydrophobicContact CG-CD1 4.32Å; Q253-F255 HydrophobicContact CG-CD2 4.25Å; Q253-F255 HydrophobicContact CG-CE1 3.74Å; Q253-F255 HydrophobicContact CG-CE2 3.67Å; Q253-F255 HydrophobicContact CG-CZ 3.38Å; F255-E257 VanDerWaalsContact C-OE2 3.25Å; F255-E257 WeakPolarHBondContact CA-OE2 3.38Å; F255-E257 WeakPolarHBondContact CB-OE2 3.17Å; F255-E257 PolarHBondContact O-N 2.75Å; F255-F269 HydrophobicContact CB-CE1 4Å; F255-F269 AromaticContact CD1-CD1 3.55Å; F255-F269 HydrophobicContact CD1-CD1 3.55Å; F255-F269 AromaticContact CD1-CE1 3.55Å; F255-F269 HydrophobicContact CD1-CE1 3.55Å; F255-F269 AromaticContact CD2-CD1 3.89Å; F255-F269 HydrophobicContact CD2-CD1 3.89Å; F255-F269 AromaticContact CD2-CE1 3.98Å; F255-F269 HydrophobicContact CD2-CE1 3.98Å; F255-F269 AromaticContact CE1-CD1 3.42Å; F255-F269 HydrophobicContact CE1-CD1 3.42Å; F255-F269 VanDerWaalsContact CE1-CD1 3.42Å; F255-F269 AromaticContact CE1-CE1 3.96Å; F255-F269 HydrophobicContact CE1-CE1 3.96Å; F255-F269 HydrophobicContact CE1-CG 4.42Å; F255-F269 HydrophobicContact CE2-CB 4.33Å; F255-F269 AromaticContact CE2-CD1 3.76Å; F255-F269 HydrophobicContact CE2-CD1 3.76Å; F255-F269 HydrophobicContact CE2-CE1 4.34Å; F255-F269 HydrophobicContact CE2-CG 4.16Å; F255-F269 AromaticContact CG-CD1 3.78Å; F255-F269 HydrophobicContact CG-CD1 3.78Å; F255-F269 AromaticContact CG-CE1 3.57Å; F255-F269 HydrophobicContact CG-CE1 3.57Å; F255-F269 HydrophobicContact CG-CZ 4.44Å; F255-F269 HydrophobicContact CZ-CB 4.07Å; F255-F269 AromaticContact CZ-CD1 3.52Å; F255-F269 HydrophobicContact CZ-CD1 3.52Å; F255-F269 HydrophobicContact CZ-CE1 4.32Å; F255-F269 HydrophobicContact CZ-CG 4.11Å
256T90.1Very high93.4Very high114 Ų11458.7 Ų58.770%0.69934%0.343SS*.  trans-84.85-173.452.30000113.5T258T256-T258 PolarHBondContact O-N 2.9Å
257E90.4Very high93.7Very high51 Ų5161.6 Ų61.624%0.23836%0.357CS..  trans-58125174.8-72.285150.700109.4I228 F255 F265 Q267I228-E257 HydrophobicContact CD1-CB 4.43Å; F255-E257 VanDerWaalsContact C-OE2 3.25Å; F255-E257 WeakPolarHBondContact CA-OE2 3.38Å; F255-E257 WeakPolarHBondContact CB-OE2 3.17Å; F255-E257 PolarHBondContact O-N 2.75Å; E257-F265 HydrophobicContact CB-CE2 4.15Å; E257-F265 HydrophobicContact CB-CZ 4.12Å; E257-F265 HydrophobicContact CG-CE2 4.23Å; E257-F265 HydrophobicContact CG-CZ 4.18Å; E257-Q267 PolarHBondContact OE1-NE2 2.79Å
258T92.1Very high93.9Very high96 Ų9661.4 Ų61.459%0.58936%0.356SS*.  trans-105.4141.1179.759.70000109.8I225 T256I225-T258 VanDerWaalsContact O-CA 3.26Å; I225-T258 WeakPolarHBondContact O-CA 3.43Å; T256-T258 PolarHBondContact O-N 2.9Å
259V93.6Very high94.1Very high3 Ų359.8 Ų59.82%0.01835%0.349CS..BIsolated β-bridgetrans-116.9114.2175.1-171.70000107.9I217 N219 I225 S263 F265I217-V259 HydrophobicContact CD1-CG2 4.07Å; I217-V259 HydrophobicContact CG2-CG1 4.38Å; N219-V259 HydrophobicContact CB-CG1 4.04Å; I225-V259 HydrophobicContact CB-CB 4Å; I225-V259 HydrophobicContact CB-CG2 4.38Å; I225-V259 HydrophobicContact CD1-CB 3.94Å; I225-V259 HydrophobicContact CD1-CG1 4.4Å; I225-V259 HydrophobicContact CD1-CG2 4.33Å; I225-V259 HydrophobicContact CG1-CB 4.42Å; I225-V259 PolarHBondContact N-O 2.79Å; I225-V259 PolarHBondContact O-N 3.31Å; I225-V259 VanDerWaalsContact O-N 3.08Å; V259-S263 WeakPolarHBondContact CG1-OG 3.38Å; V259-F265 HydrophobicContact CB-CB 4.45Å; V259-F265 HydrophobicContact CG1-CB 4.01Å; V259-F265 HydrophobicContact CG2-CB 3.58Å; V259-F265 HydrophobicContact CG2-CD1 4.31Å; V259-F265 HydrophobicContact CG2-CD2 4.28Å; V259-F265 HydrophobicContact CG2-CG 3.82Å
260A93.7Very high94.2Very high54 Ų5460.3 Ų60.345%0.44636%0.36SS..  trans-66.1163.1-178.800000111.6N219 S263N219-A260 PolarHBondContact ND2-O 3.18Å; A260-S263 PolarHBondContact N-OG 2.76Å; A260-S263 PolarHBondContact O-OG 2.83Å
261A91.1Very high94.2Very high35 Ų3560.1 Ų60.129%0.28936%0.358SS..THydrogen-bonded Turntrans-59143.5169.600000110.8T221 S263T221-A261 WeakPolarHBondContact O-CA 3.48Å; T221-A261 VanDerWaalsContact O-CB 3.31Å; T221-A261 WeakPolarHBondContact O-CB 3.23Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 2.87Å
262N92.2Very high94.1Very high123 Ų12360.3 Ų60.366%0.65836%0.363SS*.THydrogen-bonded Turntrans53.240.9-179.4-53.3-66.6000114N219 C220 T221N219-N262 CarbonylContact O-C 3.49Å; N219-N262 WeakPolarHBondContact O-CA 3.45Å; N219-N262 PolarHBondContact O-N 3.02Å; C220-N262 PolarHBondContact O-OD1 3.35Å; T221-N262 PolarHBondContact O-N 2.91Å
263S95.3Very high94.1Very high37 Ų3756.6 Ų56.626%0.25934%0.344SS..EExtended strand (participates in β ladder)trans-134.8160.9179.272.90000112N219 V259 A260 A261N219-S263 WeakPolarHBondContact CA-O 3.5Å; N219-S263 WeakPolarHBondContact CB-O 3.29Å; N219-S263 PolarHBondContact N-O 3.46Å; N219-S263 PolarHBondContact O-N 3.03Å; V259-S263 WeakPolarHBondContact CG1-OG 3.38Å; A260-S263 PolarHBondContact N-OG 2.76Å; A260-S263 PolarHBondContact O-OG 2.83Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 2.87Å
264S95.1Very high93.9Very high96 Ų9655.6 Ų55.667%0.67134%0.341SS*.EExtended strand (participates in β ladder)trans-112.8153.117458.60000111.2I217I217-S264 CarbonylContact O-C 3.16Å; I217-S264 VanDerWaalsContact O-CA 3.24Å; I217-S264 WeakPolarHBondContact O-CA 3.47Å
265F97.2Very high93.7Very high38 Ų3852.9 Ų52.917%0.16733%0.329CS..EExtended strand (participates in β ladder)trans-142.6139.6179171.7-89.5000109.2S216 I217 I228 E257 V259 Q267 F269S216-F265 WeakPolarHBondContact CA-O 3.35Å; I217-F265 HydrophobicContact CB-CB 4.31Å; I217-F265 HydrophobicContact CD1-CD1 3.9Å; I217-F265 HydrophobicContact CG1-CD1 4.33Å; I217-F265 PolarHBondContact N-O 2.87Å; I217-F265 PolarHBondContact O-N 2.94Å; I228-F265 HydrophobicContact CD1-CD1 4.08Å; I228-F265 HydrophobicContact CD1-CE1 3.5Å; I228-F265 HydrophobicContact CD1-CZ 4Å; E257-F265 HydrophobicContact CB-CE2 4.15Å; E257-F265 HydrophobicContact CB-CZ 4.12Å; E257-F265 HydrophobicContact CG-CE2 4.23Å; E257-F265 HydrophobicContact CG-CZ 4.18Å; V259-F265 HydrophobicContact CB-CB 4.45Å; V259-F265 HydrophobicContact CG1-CB 4.01Å; V259-F265 HydrophobicContact CG2-CB 3.58Å; V259-F265 HydrophobicContact CG2-CD1 4.31Å; V259-F265 HydrophobicContact CG2-CD2 4.28Å; V259-F265 HydrophobicContact CG2-CG 3.82Å; F265-Q267 HydrophobicContact CE1-CB 3.66Å; F265-Q267 HydrophobicContact CE2-CB 4.22Å; F265-Q267 HydrophobicContact CZ-CB 3.41Å; F265-Q267 VanDerWaalsContact CZ-CB 3.41Å; F265-Q267 HydrophobicContact CZ-CG 4.26Å; F265-F269 HydrophobicContact CE1-CE2 4.32Å; F265-F269 HydrophobicContact CE1-CZ 4.17Å; F265-F269 HydrophobicContact CZ-CZ 4.09Å
266S97Very high93.3Very high86 Ų8655.1 Ų55.160%0.60135%0.354SS*.EExtended strand (participates in β ladder)trans-146.6124.4174.8-171.50000109.6V215V215-S266 VanDerWaalsContact O-CA 3.31Å; V215-S266 WeakPolarHBondContact O-CA 3.19Å
267Q96.8Very high92.8Very high74 Ų7452.7 Ų52.735%0.34635%0.345SS..EExtended strand (participates in β ladder)trans-153.7150-179.2-173.7169.5-28.700110.6V215 E257 F265 F269V215-Q267 PolarHBondContact N-O 3.2Å; V215-Q267 PolarHBondContact O-N 2.83Å; E257-Q267 PolarHBondContact OE1-NE2 2.79Å; F265-Q267 HydrophobicContact CE1-CB 3.66Å; F265-Q267 HydrophobicContact CE2-CB 4.22Å; F265-Q267 HydrophobicContact CZ-CB 3.41Å; F265-Q267 VanDerWaalsContact CZ-CB 3.41Å; F265-Q267 HydrophobicContact CZ-CG 4.26Å; Q267-F269 HydrophobicContact CB-CE2 4.08Å; Q267-F269 HydrophobicContact CB-CZ 4.11Å; Q267-F269 HydrophobicContact CG-CE1 4.34Å; Q267-F269 HydrophobicContact CG-CE2 4.32Å; Q267-F269 HydrophobicContact CG-CZ 4.1Å
268S96.9Very high92.2Very high57 Ų5750.7 Ų50.740%0.39934%0.336SS..EExtended strand (participates in β ladder)trans-99.7136.7169.8-178.80000110.6S212 N214S212-S268 PolarHBondContact OG-OG 3.16Å; N214-S268 VanDerWaalsContact OD1-CB 3.31Å; N214-S268 WeakPolarHBondContact OD1-CB 3.43Å; N214-S268 PolarHBondContact OD1-OG 3.34Å
269F96.6Very high90.9Very high6 Ų652.5 Ų52.53%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-117.9130.1-180-61.5-84.3000110.4V213 V215 I228 I230 F255 F265 Q267V213-F269 PolarHBondContact N-O 3.32Å; V213-F269 PolarHBondContact O-N 3.31Å; V215-F269 HydrophobicContact CB-CD2 4.33Å; V215-F269 HydrophobicContact CB-CE2 4.03Å; V215-F269 HydrophobicContact CG2-CD2 3.9Å; V215-F269 HydrophobicContact CG2-CE2 4.02Å; I228-F269 HydrophobicContact CD1-CE2 4.45Å; I228-F269 HydrophobicContact CD1-CZ 4.08Å; I230-F269 HydrophobicContact CD1-CB 3.51Å; I230-F269 HydrophobicContact CD1-CD1 4.43Å; I230-F269 HydrophobicContact CD1-CD2 3.62Å; I230-F269 HydrophobicContact CD1-CE2 4.44Å; I230-F269 HydrophobicContact CD1-CG 3.6Å; F255-F269 HydrophobicContact CB-CE1 4Å; F255-F269 AromaticContact CD1-CD1 3.55Å; F255-F269 HydrophobicContact CD1-CD1 3.55Å; F255-F269 AromaticContact CD1-CE1 3.55Å; F255-F269 HydrophobicContact CD1-CE1 3.55Å; F255-F269 AromaticContact CD2-CD1 3.89Å; F255-F269 HydrophobicContact CD2-CD1 3.89Å; F255-F269 AromaticContact CD2-CE1 3.98Å; F255-F269 HydrophobicContact CD2-CE1 3.98Å; F255-F269 AromaticContact CE1-CD1 3.42Å; F255-F269 HydrophobicContact CE1-CD1 3.42Å; F255-F269 VanDerWaalsContact CE1-CD1 3.42Å; F255-F269 AromaticContact CE1-CE1 3.96Å; F255-F269 HydrophobicContact CE1-CE1 3.96Å; F255-F269 HydrophobicContact CE1-CG 4.42Å; F255-F269 HydrophobicContact CE2-CB 4.33Å; F255-F269 AromaticContact CE2-CD1 3.76Å; F255-F269 HydrophobicContact CE2-CD1 3.76Å; F255-F269 HydrophobicContact CE2-CE1 4.34Å; F255-F269 HydrophobicContact CE2-CG 4.16Å; F255-F269 AromaticContact CG-CD1 3.78Å; F255-F269 HydrophobicContact CG-CD1 3.78Å; F255-F269 AromaticContact CG-CE1 3.57Å; F255-F269 HydrophobicContact CG-CE1 3.57Å; F255-F269 HydrophobicContact CG-CZ 4.44Å; F255-F269 HydrophobicContact CZ-CB 4.07Å; F255-F269 AromaticContact CZ-CD1 3.52Å; F255-F269 HydrophobicContact CZ-CD1 3.52Å; F255-F269 HydrophobicContact CZ-CE1 4.32Å; F255-F269 HydrophobicContact CZ-CG 4.11Å; F265-F269 HydrophobicContact CE1-CE2 4.32Å; F265-F269 HydrophobicContact CE1-CZ 4.17Å; F265-F269 HydrophobicContact CZ-CZ 4.09Å; Q267-F269 HydrophobicContact CB-CE2 4.08Å; Q267-F269 HydrophobicContact CB-CZ 4.11Å; Q267-F269 HydrophobicContact CG-CE1 4.34Å; Q267-F269 HydrophobicContact CG-CE2 4.32Å; Q267-F269 HydrophobicContact CG-CZ 4.1Å
270A95.6Very high90Very high75 Ų7556.5 Ų56.562%0.6237%0.37SS*.EExtended strand (participates in β ladder)trans-88.4123.817500000110.7P210 I211P210-A270 HydrophobicContact CB-CB 4.4Å; I211-A270 CarbonylContact O-C 3.55Å; I211-A270 WeakPolarHBondContact O-CA 3.47Å
271V94Very high89.4Confident0 Ų058.7 Ų58.70%037%0.369CS..EExtended strand (participates in β ladder)trans-125.1127.2-176.8171.90000109.6I211 V213 I230 V232 F251I211-V271 WeakPolarHBondContact CA-O 3.28Å; I211-V271 VanDerWaalsContact CB-O 3.3Å; I211-V271 WeakPolarHBondContact CB-O 3.37Å; I211-V271 PolarHBondContact N-O 3.43Å; I211-V271 PolarHBondContact O-N 3.36Å; V213-V271 HydrophobicContact CG2-CG2 4.28Å; I230-V271 HydrophobicContact CB-CG2 4.47Å; I230-V271 HydrophobicContact CG2-CG2 3.86Å; V232-V271 HydrophobicContact CG2-CG1 3.55Å; F251-V271 HydrophobicContact CD1-CB 4.47Å; F251-V271 HydrophobicContact CD1-CG1 3.34Å; F251-V271 HydrophobicContact CD2-CG1 4.42Å; F251-V271 HydrophobicContact CE1-CB 4.12Å; F251-V271 HydrophobicContact CE1-CG1 3.43Å; F251-V271 VanDerWaalsContact CE1-CG1 3.43Å; F251-V271 HydrophobicContact CE1-CG2 3.9Å; F251-V271 HydrophobicContact CE2-CG1 4.49Å; F251-V271 HydrophobicContact CG-CG1 3.87Å; F251-V271 HydrophobicContact CZ-CB 4.5Å; F251-V271 HydrophobicContact CZ-CG1 4.03Å; F251-V271 HydrophobicContact CZ-CG2 4.46Å
272T94.3Very high89Confident43 Ų4363.3 Ų63.326%0.26438%0.38SS..  trans-123.995.2-178-43.80000110.2I274T272-I274 HydrophobicContact CG2-CG2 3.93Å; T272-I274 PolarHBondContact O-N 3.2Å
273P92.8Very high88.8Confident3 Ų357.5 Ų57.52%0.01935%0.349CS..  trans-73.7107.3178.629.4-31.9000110.3I211 V232 V250 F251 L297 L348I211-P273 HydrophobicContact CD1-CG 3.81Å; V232-P273 HydrophobicContact CB-CB 4.42Å; V232-P273 HydrophobicContact CG1-CB 4.27Å; V232-P273 HydrophobicContact CG2-CB 4.49Å; V250-P273 HydrophobicContact CG2-CB 3.88Å; F251-P273 HydrophobicContact CB-CB 4.36Å; P273-L297 HydrophobicContact CB-CD1 4.46Å; P273-L348 HydrophobicContact CG-CD1 4.42Å; P273-L348 HydrophobicContact CG-CD2 4.22Å
274I91.4Very high88.6Confident66 Ų6655.8 Ų55.834%0.33834%0.337SS..  trans-127.2143.1178.359.6175.2000111.4T272 A276 A277 S278T272-I274 HydrophobicContact CG2-CG2 3.93Å; T272-I274 PolarHBondContact O-N 3.2Å; I274-A276 VanDerWaalsContact C-N 3.26Å; I274-A276 HydrophobicContact CD1-CB 4.48Å; I274-A276 PolarHBondContact O-N 3.38Å; I274-A277 HydrophobicContact CD1-CB 3.86Å; I274-A277 HydrophobicContact CG1-CB 3.51Å; I274-A277 PolarHBondContact O-N 3.31Å; I274-S278 PolarHBondContact O-N 3.44Å
275L88.3Confident88.6Confident19 Ų1951.2 Ų51.210%0.09931%0.305CS..G310 helixtrans-59.2-38.7178.8179.960.6000112A277 S278 K281 L284 L286 T295 L297L275-A277 VanDerWaalsContact C-N 3.31Å; L275-A277 PolarHBondContact O-N 3.36Å; L275-S278 WeakPolarHBondContact O-CB 3.49Å; L275-S278 PolarHBondContact O-N 2.89Å; L275-S278 PolarHBondContact O-OG 3.31Å; L275-K281 HydrophobicContact CD1-CG 4.39Å; L275-L284 HydrophobicContact CD1-CD1 4.24Å; L275-L286 HydrophobicContact CD1-CD2 3.59Å; L275-L286 HydrophobicContact CD2-CD2 3.95Å; L275-L286 HydrophobicContact CG-CD2 4.4Å; L275-T295 HydrophobicContact CD2-CG2 4.13Å; L275-T295 WeakPolarHBondContact CD2-O 3.5Å; L275-L297 HydrophobicContact CB-CD2 4.33Å; L275-L297 HydrophobicContact CB-CG 4.23Å; L275-L297 HydrophobicContact CD1-CD2 4.06Å
276A85Confident88.5Confident82 Ų8249.5 Ų49.568%0.67830%0.297SS*.G310 helixtrans-62.4-35-177.500000113.5I274I274-A276 VanDerWaalsContact C-N 3.26Å; I274-A276 HydrophobicContact CD1-CB 4.48Å; I274-A276 PolarHBondContact O-N 3.38Å
277A79.9Confident88.2Confident63 Ų6345.7 Ų45.752%0.52127%0.27SS..G310 helixtrans-87.2-7.8-18000000113.3I274 L275 C279I274-A277 HydrophobicContact CD1-CB 3.86Å; I274-A277 HydrophobicContact CG1-CB 3.51Å; I274-A277 PolarHBondContact O-N 3.31Å; L275-A277 VanDerWaalsContact C-N 3.31Å; L275-A277 PolarHBondContact O-N 3.36Å; A277-C279 PolarHBondContact O-N 2.67Å
278S76.8Confident87.8Confident8 Ų842.4 Ų42.46%0.05626%0.256CS..  trans-68.5126.4179.869.10000111.2I274 L275 Q280I274-S278 PolarHBondContact O-N 3.44Å; L275-S278 WeakPolarHBondContact O-CB 3.49Å; L275-S278 PolarHBondContact O-N 2.89Å; L275-S278 PolarHBondContact O-OG 3.31Å; S278-Q280 PolarHBondContact O-N 3.31Å
279C65.2Low87.1Confident134 Ų13443 Ų4391%0.90525%0.252SS*.SBendtrans-65.5-29.2178-62.30000112.2A277A277-C279 PolarHBondContact O-N 2.67Å
280Q75.2Confident86.4Confident88 Ų8845.4 Ų45.441%0.41126%0.264SS..  trans-127.699.4-178.1-170.5174.72.100110S278 R282 L284S278-Q280 PolarHBondContact O-N 3.31Å; Q280-R282 WeakPolarHBondContact CG-O 3.08Å; Q280-L284 VanDerWaalsContact O-CD1 3.28Å; Q280-L284 WeakPolarHBondContact O-CD1 3.31Å
281K80.1Confident85.6Confident99 Ų9946.5 Ų46.543%0.4326%0.255SS..  trans-77.9-20.5-178.8-61-176.1-179.1-178.50113.9L275 L290L275-K281 HydrophobicContact CD1-CG 4.39Å; K281-L290 HydrophobicContact CB-CD1 3.89Å; K281-L290 HydrophobicContact CB-CD2 4.35Å; K281-L290 HydrophobicContact CD-CD1 4.18Å
282R84.4Confident85.1Confident133 Ų13347.2 Ų47.250%0.50226%0.258SS..THydrogen-bonded Turntrans-90.4148.3176.6-64.2-171.9-178-1792.7110.9Q127 Q280Q127-R282 CarbonylContact O-C 3.51Å; Q280-R282 WeakPolarHBondContact CG-O 3.08Å
283G86.5Confident84.5Confident1 Ų152.6 Ų52.61%0.0128%0.28CS..THydrogen-bonded Turntrans82.50.5-172.100000113.3L126 Q127 K248L126-G283 WeakPolarHBondContact CD1-O 3.35Å; Q127-G283 PolarHBondContact O-N 3.03Å; K248-G283 WeakPolarHBondContact CG-O 3.25Å
284L92.6Very high84.1Confident1 Ų155.1 Ų55.11%0.00529%0.294CS..SBendtrans-94.4140.3172.6-64.8177.6000110.8L126 Q234 K248 V250 L275 Q280 L286 L297L126-L284 VanDerWaalsContact CD1-C 3.41Å; L126-L284 WeakPolarHBondContact CD1-O 3.16Å; Q234-L284 HydrophobicContact CB-CD2 4.33Å; Q234-L284 VanDerWaalsContact OE1-CA 3.25Å; K248-L284 HydrophobicContact CB-CD2 3.57Å; K248-L284 HydrophobicContact CG-CD2 4.33Å; V250-L284 HydrophobicContact CG1-CD1 4.24Å; V250-L284 HydrophobicContact CG1-CD2 3.52Å; L275-L284 HydrophobicContact CD1-CD1 4.24Å; Q280-L284 VanDerWaalsContact O-CD1 3.28Å; Q280-L284 WeakPolarHBondContact O-CD1 3.31Å; L284-L286 HydrophobicContact CB-CD2 4.15Å; L284-L297 HydrophobicContact CD1-CD2 4.01Å
285A94.8Very high83.9Confident0 Ų052.4 Ų52.40%028%0.28CS..EExtended strand (participates in β ladder)trans-75.5129.5165.300000110.1V124 T125 Q234 T236 A298 V316V124-A285 HydrophobicContact CG1-CB 3.92Å; T125-A285 CarbonylContact O-C 3.58Å; T125-A285 WeakPolarHBondContact O-CA 3.37Å; Q234-A285 PolarHBondContact NE2-O 2.9Å; T236-A285 HydrophobicContact CG2-CB 3.97Å; T236-A285 VanDerWaalsContact OG1-CB 3.31Å; T236-A285 WeakPolarHBondContact OG1-CB 3.48Å; A285-A298 HydrophobicContact CB-CB 3.8Å; A285-A298 WeakPolarHBondContact O-CB 3.36Å; A285-A298 PolarHBondContact O-N 3.42Å; A285-V316 HydrophobicContact CB-CG1 4.36Å; A285-V316 HydrophobicContact CB-CG2 3.67Å
286L94.5Very high84.1Confident2 Ų254.5 Ų54.51%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-122.4154.4-177.2-52.5-179.3000109.7V124 T125 L275 L284 G288 L290 T295 N296 L297V124-L286 CarbonylContact C-O 3.55Å; V124-L286 VanDerWaalsContact CA-O 3.25Å; V124-L286 WeakPolarHBondContact CA-O 3.43Å; T125-L286 PolarHBondContact N-O 2.92Å; T125-L286 PolarHBondContact O-N 2.88Å; L275-L286 HydrophobicContact CD1-CD2 3.59Å; L275-L286 HydrophobicContact CD2-CD2 3.95Å; L275-L286 HydrophobicContact CG-CD2 4.4Å; L284-L286 HydrophobicContact CB-CD2 4.15Å; L286-G288 VanDerWaalsContact C-N 3.3Å; L286-G288 WeakPolarHBondContact CB-O 3.49Å; L286-L290 HydrophobicContact CD1-CB 3.96Å; L286-L290 HydrophobicContact CD1-CD1 3.83Å; L286-L290 HydrophobicContact CD1-CG 4.48Å; L286-T295 HydrophobicContact CB-CG2 3.76Å; L286-T295 HydrophobicContact CD1-CG2 3.99Å; L286-T295 HydrophobicContact CG-CG2 4.35Å; L286-N296 VanDerWaalsContact CA-O 3.3Å; L286-N296 WeakPolarHBondContact CA-O 3.47Å; L286-L297 HydrophobicContact CD2-CD2 4.34Å
287D91.2Very high84.5Confident6 Ų650.8 Ų50.83%0.03226%0.26CS..SBendtrans-82-10.1175.867.96000113.7R166 N296 H350R166-D287 WeakPolarHBondContact CD-O 3.41Å; R166-D287 IonicContact NH1-OD1 2.76Å; R166-D287 PolarHBondContact NH1-OD1 3.04Å; R166-D287 IonicContact NH1-OD2 3.4Å; D287-N296 PolarHBondContact N-O 3.19Å; D287-N296 PolarHBondContact OD1-N 3.03Å; D287-H350 IonicContact OD2-CD2 3.48Å; D287-H350 IonicContact OD2-CE1 3.45Å; D287-H350 PolarHBondContact OD2-CE1 3.42Å; D287-H350 IonicContact OD2-NE2 3.81Å; D287-H350 PolarHBondContact OD2-NE2 2.84Å
288G87.6Confident85.3Confident5 Ų547.8 Ų47.85%0.05224%0.235CC..SBendtrans-144.6-169.7-178.300000111.3T125 L286T125-G288 PolarHBondContact OG1-O 2.93Å; L286-G288 VanDerWaalsContact C-N 3.3Å; L286-G288 WeakPolarHBondContact CB-O 3.49Å
289K83.2Confident86.1Confident70 Ų7048 Ų4830%0.30424%0.237SC..  trans-85.2139.7177.4-57.2-176.6-172.1170.40109.8K291 H292 T295 E373K289-K291 HydrophobicContact CB-CG 4.14Å; K289-K291 PolarHBondContact O-N 2.81Å; K289-H292 WeakPolarHBondContact O-CB 3.4Å; K289-H292 PolarHBondContact O-N 3Å; K289-T295 PolarHBondContact N-OG1 2.82Å; K289-T295 PolarHBondContact O-OG1 2.92Å; K289-E373 IonicContact NZ-OE1 2.89Å; K289-E373 PolarHBondContact NZ-OE1 2.84Å
290L80.4Confident87.5Confident55 Ų5542 Ų4229%0.28820%0.197SC..THydrogen-bonded Turntrans-52.4-26.3-179-173.762.3000115.4K281 L286K281-L290 HydrophobicContact CB-CD1 3.89Å; K281-L290 HydrophobicContact CB-CD2 4.35Å; K281-L290 HydrophobicContact CD-CD1 4.18Å; L286-L290 HydrophobicContact CD1-CB 3.96Å; L286-L290 HydrophobicContact CD1-CD1 3.83Å; L286-L290 HydrophobicContact CD1-CG 4.48Å
291K79.7Confident88.2Confident99 Ų9939.9 Ų39.943%0.4319%0.19SC..THydrogen-bonded Turntrans-81-11.7177.361.9175.3177.1167.50114.7K289 G372 E373K289-K291 HydrophobicContact CB-CG 4.14Å; K289-K291 PolarHBondContact O-N 2.81Å; K291-G372 CarbonylContact O-C 3.48Å; K291-G372 WeakPolarHBondContact O-CA 3.37Å; K291-E373 HydrophobicContact CD-CG 3.75Å; K291-E373 WeakPolarHBondContact CE-OE1 3.11Å; K291-E373 HydrophobicContact CG-CG 4.32Å; K291-E373 IonicContact NZ-OE1 3.01Å; K291-E373 PolarHBondContact NZ-OE1 2.82Å
292H82.6Confident88.6Confident15 Ų1537.5 Ų37.57%0.06918%0.181CC..SBendtrans-87.5129.4178.2-55.6154.6000109.2K289 D294 T295 R370 E373K289-H292 WeakPolarHBondContact O-CB 3.4Å; K289-H292 PolarHBondContact O-N 3Å; H292-D294 WeakPolarHBondContact CB-OD1 3.46Å; H292-D294 PolarHBondContact O-N 2.84Å; H292-T295 WeakPolarHBondContact CB-OG1 3.21Å; H292-T295 WeakPolarHBondContact O-CB 2.97Å; H292-T295 PolarHBondContact O-N 2.85Å; H292-T295 PolarHBondContact O-OG1 3.5Å; H292-R370 HydrophobicContact CB-CB 4.34Å; H292-R370 WeakPolarHBondContact ND1-CD 3.31Å; H292-E373 IonicContact CD2-OE2 3.47Å; H292-E373 IonicContact CE1-OE1 2.74Å; H292-E373 IonicContact CE1-OE2 3.51Å; H292-E373 WeakPolarHBondContact NE2-CG 3.24Å; H292-E373 IonicContact NE2-OE1 3.31Å; H292-E373 PolarHBondContact NE2-OE1 3.4Å; H292-E373 VanDerWaalsContact NE2-OE1 3.09Å; H292-E373 IonicContact NE2-OE2 2.7Å; H292-E373 PolarHBondContact NE2-OE2 2.99Å
293E82Confident88.4Confident155 Ų15534.5 Ų34.572%0.72417%0.174SC*.THydrogen-bonded Turntrans-60-31.9-179.1-170.6-176.417900112.6T295 K371E293-T295 VanDerWaalsContact C-N 3.27Å; E293-T295 PolarHBondContact O-N 3.02Å; E293-K371 PolarHBondContact N-O 2.9Å
294D84.3Confident88Confident57 Ų5736.3 Ų36.331%0.30518%0.181SC..THydrogen-bonded Turntrans-88.218.4-178.367.6-12.4000114.2R166 H292 R370R166-D294 PolarHBondContact NH1-O 3.46Å; R166-D294 PolarHBondContact NH2-O 2.8Å; R166-D294 VanDerWaalsContact NH2-O 3.15Å; R166-D294 IonicContact NH2-OD1 3.46Å; R166-D294 IonicContact NH2-OD2 2.77Å; R166-D294 PolarHBondContact NH2-OD2 2.89Å; H292-D294 WeakPolarHBondContact CB-OD1 3.46Å; H292-D294 PolarHBondContact O-N 2.84Å; D294-R370 IonicContact OD1-CZ 3.4Å; D294-R370 IonicContact OD1-NH1 2.69Å; D294-R370 PolarHBondContact OD1-NH1 2.88Å; D294-R370 IonicContact OD2-CZ 4Å; D294-R370 IonicContact OD2-NH1 3.37Å; D294-R370 PolarHBondContact OD2-NH1 2.87Å
295T88.4Confident87.2Confident9 Ų942.7 Ų42.76%0.05522%0.223CC..  trans-86.9132.9177.9-66.20000111.8L275 L286 K289 H292 E293L275-T295 HydrophobicContact CD2-CG2 4.13Å; L275-T295 WeakPolarHBondContact CD2-O 3.5Å; L286-T295 HydrophobicContact CB-CG2 3.76Å; L286-T295 HydrophobicContact CD1-CG2 3.99Å; L286-T295 HydrophobicContact CG-CG2 4.35Å; K289-T295 PolarHBondContact N-OG1 2.82Å; K289-T295 PolarHBondContact O-OG1 2.92Å; H292-T295 WeakPolarHBondContact CB-OG1 3.21Å; H292-T295 WeakPolarHBondContact O-CB 2.97Å; H292-T295 PolarHBondContact O-N 2.85Å; H292-T295 PolarHBondContact O-OG1 3.5Å; E293-T295 VanDerWaalsContact C-N 3.27Å; E293-T295 PolarHBondContact O-N 3.02Å
296N91.7Very high86.2Confident63 Ų6346.7 Ų46.734%0.33726%0.263SS..  trans-117.1176.2174.3-63.4-68.7000111.1L286 D287L286-N296 VanDerWaalsContact CA-O 3.3Å; L286-N296 WeakPolarHBondContact CA-O 3.47Å; D287-N296 PolarHBondContact N-O 3.19Å; D287-N296 PolarHBondContact OD1-N 3.03Å
297L94.2Very high85.4Confident3 Ų347.8 Ų47.82%0.01627%0.269CS..BIsolated β-bridgetrans-58.9143.1165.3-64.2172.8000109.4H207 V250 P273 L275 L284 L286 S299 Y318 L348H207-L297 PolarHBondContact CE1-O 3Å; H207-L297 PolarHBondContact NE2-O 3.41Å; V250-L297 HydrophobicContact CB-CD1 4.16Å; V250-L297 HydrophobicContact CG1-CD1 4.17Å; V250-L297 HydrophobicContact CG1-CD2 3.98Å; V250-L297 HydrophobicContact CG2-CD1 4.44Å; P273-L297 HydrophobicContact CB-CD1 4.46Å; L275-L297 HydrophobicContact CB-CD2 4.33Å; L275-L297 HydrophobicContact CB-CG 4.23Å; L275-L297 HydrophobicContact CD1-CD2 4.06Å; L284-L297 HydrophobicContact CD1-CD2 4.01Å; L286-L297 HydrophobicContact CD2-CD2 4.34Å; L297-S299 PolarHBondContact O-N 2.78Å; L297-Y318 WeakPolarHBondContact CB-OH 3.38Å; L297-L348 HydrophobicContact CD1-CD2 4.42Å
298A95Very high84.8Confident0 Ų051.3 Ų51.30%029%0.288CS..PPolyproline II helixtrans-61.7139.6176.600000110.5V124 A285 V316 Y318V124-A298 HydrophobicContact CG1-CB 4.05Å; V124-A298 HydrophobicContact CG2-CB 4.17Å; A285-A298 HydrophobicContact CB-CB 3.8Å; A285-A298 WeakPolarHBondContact O-CB 3.36Å; A285-A298 PolarHBondContact O-N 3.42Å; A298-V316 HydrophobicContact CB-CB 4.47Å; A298-V316 HydrophobicContact CB-CG1 4.19Å; A298-V316 HydrophobicContact CB-CG2 3.92Å; A298-Y318 VanDerWaalsContact O-CE2 3.3Å; A298-Y318 WeakPolarHBondContact O-CE2 3.31Å; A298-Y318 PolarHBondContact O-OH 3.16Å
299S94.4Very high84.5Confident14 Ų1456.9 Ų56.910%0.09831%0.31CS..PPolyproline II helixtrans-70154175.5-62.20000111.3H207 L297 T301 L348H207-S299 PolarHBondContact NE2-OG 3.08Å; H207-S299 VanDerWaalsContact NE2-OG 3.08Å; L297-S299 PolarHBondContact O-N 2.78Å; S299-T301 PolarHBondContact O-N 2.87Å; S299-L348 CarbonylContact C-O 3.59Å; S299-L348 WeakPolarHBondContact CA-O 3.46Å; S299-L348 WeakPolarHBondContact CB-O 3.5Å
300S93.8Very high84.2Confident8 Ų859.9 Ų59.96%0.05633%0.326CS..PPolyproline II helixtrans-56.2135.1173.3-67.20000110.8I302 V316 Y318 L346 V347 L348S300-I302 PolarHBondContact O-N 2.92Å; S300-V316 WeakPolarHBondContact CA-O 3.43Å; S300-Y318 WeakPolarHBondContact OG-CD2 3.41Å; S300-L346 PolarHBondContact OG-O 2.69Å; S300-V347 WeakPolarHBondContact OG-CA 3.35Å; S300-L348 PolarHBondContact N-O 2.76Å; S300-L348 PolarHBondContact OG-N 3.06Å
301T91.8Very high84.1Confident42 Ų4261.8 Ų61.826%0.25834%0.335SS..PPolyproline II helixtrans-76117.1177.9-54.10000110.2S299 I303 L312 L315 V316S299-T301 PolarHBondContact O-N 2.87Å; T301-I303 HydrophobicContact CG2-CG1 4.44Å; T301-L312 HydrophobicContact CG2-CD1 4.09Å; T301-L315 HydrophobicContact CG2-CD2 3.81Å; T301-V316 PolarHBondContact N-O 3.47Å; T301-V316 PolarHBondContact OG1-N 2.97Å
302I86.5Confident84.3Confident49 Ų4957.2 Ų57.225%0.25132%0.316SS..PPolyproline II helixtrans-90.7116.4176-56.6176.8000108.7V27 Q169 A171 S300V27-I302 HydrophobicContact CG2-CD1 4.34Å; Q169-I302 HydrophobicContact CG-CD1 3.99Å; Q169-I302 HydrophobicContact CG-CG1 4.47Å; A171-I302 HydrophobicContact CB-CD1 3.55Å; S300-I302 PolarHBondContact O-N 2.92Å
303I82.2Confident84.6Confident70 Ų7056.5 Ų56.536%0.35931%0.313SS..  trans-96.9113.7-179.7-53.9174.4000108.3T301 M307 K309 L312T301-I303 HydrophobicContact CG2-CG1 4.44Å; I303-M307 HydrophobicContact CG2-CB 4.32Å; I303-K309 HydrophobicContact CD1-CD 4.02Å; I303-K309 HydrophobicContact CD1-CG 4.11Å; I303-K309 HydrophobicContact CG2-CG 4.47Å; I303-L312 HydrophobicContact CG1-CD1 4.23Å
304R77.6Confident85.1Confident39 Ų3949.2 Ų49.215%0.14728%0.279CS..  trans-83.7155.1175.8-68168.3-74.4-151-15.1111.5V27 T118 N119 G306 M307V27-R304 HydrophobicContact CG1-CG 4.18Å; V27-R304 PolarHBondContact O-NH1 2.96Å; T118-R304 PolarHBondContact O-NH1 2.94Å; T118-R304 PolarHBondContact O-NH2 3.39Å; T118-R304 PolarHBondContact OG1-NH1 2.77Å; N119-R304 VanDerWaalsContact CA-NH2 3.33Å; R304-G306 PolarHBondContact O-N 3.49Å; R304-M307 HydrophobicContact CB-CG 4.07Å; R304-M307 HydrophobicContact CB-SD 3.52Å; R304-M307 VanDerWaalsContact CB-SD 3.52Å; R304-M307 HydrophobicContact CG-SD 3.97Å; R304-M307 PolarHBondContact N-SD 2.84Å; R304-M307 PolarHBondContact NE-SD 2.71Å; R304-M307 WeakPolarHBondContact O-CB 3.34Å; R304-M307 PolarHBondContact O-N 2.8Å
305P75.5Confident85.5Confident136 Ų13647.6 Ų47.688%0.88327%0.27SS*.THydrogen-bonded Turntrans-52.5128.1169-24.434.1000111.1
306G73.6Confident85.9Confident83 Ų8347.3 Ų47.386%0.85627%0.268SS*.THydrogen-bonded Turntrans87.7-2.7-178.600000115.6R304R304-G306 PolarHBondContact O-N 3.49Å
307M78.1Confident86Confident25 Ų2546.9 Ų46.912%0.12327%0.27CS..  trans-79.6129.6169.5-70.6172.96800110.7N119 I303 R304 L312N119-M307 HydrophobicContact CB-CG 4.45Å; I303-M307 HydrophobicContact CG2-CB 4.32Å; R304-M307 HydrophobicContact CB-CG 4.07Å; R304-M307 HydrophobicContact CB-SD 3.52Å; R304-M307 VanDerWaalsContact CB-SD 3.52Å; R304-M307 HydrophobicContact CG-SD 3.97Å; R304-M307 PolarHBondContact N-SD 2.84Å; R304-M307 PolarHBondContact NE-SD 2.71Å; R304-M307 WeakPolarHBondContact O-CB 3.34Å; R304-M307 PolarHBondContact O-N 2.8Å; M307-L312 HydrophobicContact CE-CD1 3.88Å; M307-L312 HydrophobicContact CE-CD2 3.22Å; M307-L312 HydrophobicContact CE-CG 4.13Å
308D78.3Confident86.1Confident81 Ų8147.1 Ų47.143%0.43327%0.271SS..  trans-79.5121170.1-172.8-10.2000109.7E310 L311D308-E310 PolarHBondContact O-N 2.79Å; D308-E310 PolarHBondContact OD1-N 2.88Å; D308-L311 HydrophobicContact CB-CB 4.29Å; D308-L311 HydrophobicContact CB-CD1 3.91Å; D308-L311 HydrophobicContact CB-CG 3.93Å; D308-L311 PolarHBondContact O-N 2.98Å; D308-L311 VanDerWaalsContact O-N 3.16Å
309K80.4Confident86.2Confident121 Ų12149.1 Ų49.153%0.52628%0.279SS..G310 helixtrans-60.8-35-178.6-62.7-168.5-178.3-175.60111.6V239 I303 L311 L312 L315V239-K309 WeakPolarHBondContact CG2-O 3.21Å; I303-K309 HydrophobicContact CD1-CD 4.02Å; I303-K309 HydrophobicContact CD1-CG 4.11Å; I303-K309 HydrophobicContact CG2-CG 4.47Å; K309-L311 PolarHBondContact O-N 2.95Å; K309-L312 PolarHBondContact O-N 2.77Å; K309-L315 HydrophobicContact CB-CD1 4.48Å
310E78.2Confident86.4Confident134 Ų13448.4 Ų48.463%0.62628%0.275SS*.G310 helixtrans-68.4-25.8-178.2-62.4-176.3-179.900111.8D308 L312D308-E310 PolarHBondContact O-N 2.79Å; D308-E310 PolarHBondContact OD1-N 2.88Å; E310-L312 VanDerWaalsContact C-N 3.33Å
311L77.8Confident86.5Confident94 Ų9451.6 Ų51.649%0.49229%0.285SS..G310 helixtrans-80.7-10.9177.7-64.1-178000113.7D308 K309D308-L311 HydrophobicContact CB-CB 4.29Å; D308-L311 HydrophobicContact CB-CD1 3.91Å; D308-L311 HydrophobicContact CB-CG 3.93Å; D308-L311 PolarHBondContact O-N 2.98Å; D308-L311 VanDerWaalsContact O-N 3.16Å; K309-L311 PolarHBondContact O-N 2.95Å
312L83.4Confident86.8Confident4 Ų449.6 Ų49.62%0.02127%0.273CS..G310 helixtrans-82.2-14179.4-60175.9000113.5P121 I139 T301 I303 M307 K309 E310 I314 L315P121-L312 HydrophobicContact CB-CB 4.47Å; P121-L312 HydrophobicContact CB-CD2 4.28Å; P121-L312 VanDerWaalsContact CB-O 3.3Å; P121-L312 WeakPolarHBondContact CB-O 3.48Å; I139-L312 WeakPolarHBondContact CD1-O 3.3Å; T301-L312 HydrophobicContact CG2-CD1 4.09Å; I303-L312 HydrophobicContact CG1-CD1 4.23Å; M307-L312 HydrophobicContact CE-CD1 3.88Å; M307-L312 HydrophobicContact CE-CD2 3.22Å; M307-L312 HydrophobicContact CE-CG 4.13Å; K309-L312 PolarHBondContact O-N 2.77Å; E310-L312 VanDerWaalsContact C-N 3.33Å; L312-I314 PolarHBondContact O-N 2.83Å; L312-L315 HydrophobicContact CB-CD2 3.74Å; L312-L315 HydrophobicContact CD1-CD2 3.71Å; L312-L315 HydrophobicContact CG-CD2 4.36Å
313G88.7Confident87.3Confident0 Ų049.3 Ų49.30%027%0.272CS..SBendtrans77.1-60.9174.400000114.3V239V239-G313 WeakPolarHBondContact CG2-O 3.4Å; V239-G313 PolarHBondContact N-O 2.63Å
314I92.7Very high87.8Confident2 Ų246 Ų461%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-134.7122.4-175.8-53.8178.4000108.6F57 V124 I139 T236 L312 V316F57-I314 HydrophobicContact CD2-CG1 4.38Å; F57-I314 HydrophobicContact CE2-CD1 4.2Å; F57-I314 HydrophobicContact CE2-CG1 3.83Å; V124-I314 HydrophobicContact CG1-CB 4.36Å; V124-I314 HydrophobicContact CG1-CD1 4.29Å; V124-I314 HydrophobicContact CG1-CG2 3.86Å; I139-I314 HydrophobicContact CD1-CB 4.23Å; I139-I314 HydrophobicContact CD1-CG1 4.17Å; I139-I314 HydrophobicContact CG1-CD1 4.4Å; I139-I314 HydrophobicContact CG1-CG1 4.47Å; T236-I314 HydrophobicContact CG2-CG2 3.43Å; T236-I314 VanDerWaalsContact CG2-CG2 3.43Å; L312-I314 PolarHBondContact O-N 2.83Å; I314-V316 HydrophobicContact CG2-CG2 4.3Å
315L93.8Very high88.5Confident22 Ų2246.2 Ų46.212%0.11526%0.258CS..EExtended strand (participates in β ladder)trans-105.9127176.6-53.1178.2000109.1T236 D237 V239 T301 K309 L312T236-L315 CarbonylContact C-O 3.53Å; T236-L315 VanDerWaalsContact CA-O 3.29Å; T236-L315 WeakPolarHBondContact CA-O 3.35Å; D237-L315 HydrophobicContact CB-CB 4.33Å; D237-L315 PolarHBondContact N-O 2.84Å; D237-L315 PolarHBondContact O-N 3.27Å; V239-L315 HydrophobicContact CG1-CD1 4.11Å; V239-L315 HydrophobicContact CG1-CG 4.44Å; V239-L315 HydrophobicContact CG2-CG 4.38Å; T301-L315 HydrophobicContact CG2-CD2 3.81Å; K309-L315 HydrophobicContact CB-CD1 4.48Å; L312-L315 HydrophobicContact CB-CD2 3.74Å; L312-L315 HydrophobicContact CD1-CD2 3.71Å; L312-L315 HydrophobicContact CG-CD2 4.36Å
316V95.6Very high89.1Confident4 Ų439.9 Ų39.92%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-115130.8178.9-1750000109V124 Q234 T235 T236 A285 A298 S300 T301 I314 Y318V124-V316 HydrophobicContact CG1-CG2 4.12Å; V124-V316 HydrophobicContact CG2-CG2 4.47Å; Q234-V316 HydrophobicContact CG-CG1 3.96Å; T235-V316 WeakPolarHBondContact O-CA 3.36Å; T236-V316 HydrophobicContact CG2-CG2 4.42Å; A285-V316 HydrophobicContact CB-CG1 4.36Å; A285-V316 HydrophobicContact CB-CG2 3.67Å; A298-V316 HydrophobicContact CB-CB 4.47Å; A298-V316 HydrophobicContact CB-CG1 4.19Å; A298-V316 HydrophobicContact CB-CG2 3.92Å; S300-V316 WeakPolarHBondContact CA-O 3.43Å; T301-V316 PolarHBondContact N-O 3.47Å; T301-V316 PolarHBondContact OG1-N 2.97Å; I314-V316 HydrophobicContact CG2-CG2 4.3Å; V316-Y318 HydrophobicContact CG1-CD2 4.43Å; V316-Y318 HydrophobicContact CG1-CE2 3.71Å
317S95.6Very high89.5Confident53 Ų5337 Ų3737%0.37118%0.184SC..EExtended strand (participates in β ladder)trans-138.5154175.659.50000110.6T235T235-S317 PolarHBondContact N-O 2.97Å; T235-S317 PolarHBondContact O-N 2.79Å; T235-S317 PolarHBondContact O-OG 2.78Å
318Y96.4Very high89.1Confident8 Ų837.4 Ų37.43%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-125.6155.5177.5-65-99.3000111V232 D233 Q234 V250 L297 A298 S300 V316 L346 L348V232-Y318 HydrophobicContact CG1-CD1 4.21Å; D233-Y318 VanDerWaalsContact O-CA 3.32Å; D233-Y318 WeakPolarHBondContact O-CA 3.42Å; Q234-Y318 HydrophobicContact CB-CD1 3.91Å; Q234-Y318 HydrophobicContact CB-CE1 3.61Å; Q234-Y318 HydrophobicContact CG-CD1 4.19Å; Q234-Y318 HydrophobicContact CG-CE1 3.64Å; Q234-Y318 HydrophobicContact CG-CE2 4.4Å; Q234-Y318 PolarHBondContact NE2-OH 3.42Å; V250-Y318 HydrophobicContact CG1-CE1 4.39Å; V250-Y318 HydrophobicContact CG2-CD1 4.45Å; V250-Y318 HydrophobicContact CG2-CE1 4.37Å; L297-Y318 WeakPolarHBondContact CB-OH 3.38Å; A298-Y318 VanDerWaalsContact O-CE2 3.3Å; A298-Y318 WeakPolarHBondContact O-CE2 3.31Å; A298-Y318 PolarHBondContact O-OH 3.16Å; S300-Y318 WeakPolarHBondContact OG-CD2 3.41Å; V316-Y318 HydrophobicContact CG1-CD2 4.43Å; V316-Y318 HydrophobicContact CG1-CE2 3.71Å; Y318-L346 PolarHBondContact O-N 3.23Å; Y318-L348 HydrophobicContact CD1-CD2 4.48Å; Y318-L348 HydrophobicContact CD2-CB 3.99Å; Y318-L348 HydrophobicContact CE1-CD2 4.05Å; Y318-L348 HydrophobicContact CE2-CB 4.06Å; Y318-L348 HydrophobicContact CE2-CD2 4.3Å; Y318-L348 HydrophobicContact CG-CB 4.41Å
319K96.4Very high88.2Confident42 Ų4236.7 Ų36.718%0.18320%0.201CC..EExtended strand (participates in β ladder)trans-145.7145.4168.860.5-176.8-179.9178.60111.5V232 D233 E343 L344V232-K319 WeakPolarHBondContact CA-O 3.32Å; D233-K319 HydrophobicContact CB-CG 4.15Å; D233-K319 PolarHBondContact N-O 2.84Å; D233-K319 PolarHBondContact O-N 3.43Å; K319-E343 WeakPolarHBondContact CD-OE2 3.32Å; K319-E343 IonicContact NZ-OE1 3.93Å; K319-E343 PolarHBondContact NZ-OE1 2.82Å; K319-E343 IonicContact NZ-OE2 3.98Å; K319-E343 PolarHBondContact NZ-OE2 2.89Å; K319-L344 CarbonylContact C-O 3.52Å; K319-L344 VanDerWaalsContact CA-O 3.23Å; K319-L344 WeakPolarHBondContact CA-O 3.37Å; K319-L344 WeakPolarHBondContact CB-O 3.5Å
320V97.6Very high87.1Confident0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-91.9130.6168.4-177.20000108.2M200 V213 I230 S231 V232 E343 L344 L346M200-V320 HydrophobicContact CE-CG2 4.4Å; M200-V320 HydrophobicContact SD-CG2 3.82Å; V213-V320 HydrophobicContact CG1-CG1 4.22Å; V213-V320 HydrophobicContact CG2-CG1 3.96Å; I230-V320 HydrophobicContact CG2-CG1 3.82Å; S231-V320 CarbonylContact O-C 3.59Å; S231-V320 WeakPolarHBondContact O-CA 3.43Å; V232-V320 HydrophobicContact CG2-CG2 4.32Å; V320-E343 CarbonylContact O-C 3.43Å; V320-E343 VanDerWaalsContact O-CA 3.31Å; V320-E343 WeakPolarHBondContact O-CA 3.19Å; V320-L344 HydrophobicContact CB-CB 4.35Å; V320-L344 PolarHBondContact N-O 3.12Å; V320-L344 PolarHBondContact O-N 2.79Å; V320-L346 HydrophobicContact CG2-CB 4.37Å; V320-L346 HydrophobicContact CG2-CD2 4.18Å
321R97.3Very high85.9Confident75 Ų7536.1 Ų36.128%0.28322%0.219SC..EExtended strand (participates in β ladder)trans-111.8127.1173.7-64.9-175156.4158.1-3.5109.5I230 S231 D233 V342 E343I230-R321 VanDerWaalsContact CA-O 3.31Å; I230-R321 WeakPolarHBondContact CA-O 3.3Å; S231-R321 PolarHBondContact N-O 2.96Å; S231-R321 PolarHBondContact O-N 2.82Å; D233-R321 WeakPolarHBondContact OD2-CD 3.25Å; D233-R321 IonicContact OD2-CZ 3.42Å; D233-R321 IonicContact OD2-NE 3.18Å; D233-R321 PolarHBondContact OD2-NE 2.91Å; D233-R321 IonicContact OD2-NH1 2.77Å; D233-R321 PolarHBondContact OD2-NH1 3.47Å; R321-V342 WeakPolarHBondContact CA-O 3.46Å; R321-E343 HydrophobicContact CG-CG 4.12Å; R321-E343 IonicContact CZ-OE1 2.69Å; R321-E343 IonicContact NE-OE1 3.28Å; R321-E343 PolarHBondContact NE-OE1 2.77Å; R321-E343 IonicContact NH2-OE1 2.86Å; R321-E343 PolarHBondContact NH2-OE1 3.42Å
322V97.6Very high84.7Confident0 Ų038.6 Ų38.60%023%0.232CC..EExtended strand (participates in β ladder)trans-109.8115.7170.6-178.60000107.5L196 A198 V213 V215 I228 I230 G341 V342L196-V322 HydrophobicContact CD1-CG1 4.3Å; A198-V322 HydrophobicContact CB-CB 4.34Å; A198-V322 HydrophobicContact CB-CG2 3.89Å; V213-V322 HydrophobicContact CG1-CG2 3.91Å; V215-V322 HydrophobicContact CG1-CG1 4.11Å; V215-V322 HydrophobicContact CG2-CG1 3.85Å; V215-V322 HydrophobicContact CG2-CG2 4.16Å; I228-V322 HydrophobicContact CG2-CG1 4.29Å; I230-V322 HydrophobicContact CG1-CG2 4.39Å; V322-G341 CarbonylContact O-C 3.55Å; V322-G341 WeakPolarHBondContact O-CA 3.25Å; V322-V342 HydrophobicContact CB-CG2 4.1Å; V322-V342 PolarHBondContact N-O 2.78Å; V322-V342 PolarHBondContact O-N 2.68Å
323N95.9Very high83.2Confident43 Ų4340.3 Ų40.323%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-120.4133.6-179.7-70.4-56.8000110.8K229 G341K229-N323 HydrophobicContact CB-CB 4.43Å; K229-N323 PolarHBondContact N-O 3.46Å; K229-N323 PolarHBondContact O-N 3.46Å; N323-G341 WeakPolarHBondContact OD1-CA 3.22Å
324L94.4Very high81.5Confident0 Ų045.7 Ų45.70%028%0.28CS..EExtended strand (participates in β ladder)trans-101.5125.6175.5-54.8-179.8000109.7L194 L196 I217 I225 I228 V326 V340L194-L324 HydrophobicContact CD2-CD1 4.08Å; L196-L324 HydrophobicContact CB-CD1 4Å; L196-L324 HydrophobicContact CD1-CD1 4.04Å; L196-L324 HydrophobicContact CD1-CD2 4.36Å; L196-L324 HydrophobicContact CD1-CG 4.3Å; L196-L324 HydrophobicContact CD2-CD1 3.97Å; L196-L324 HydrophobicContact CD2-CG 3.96Å; L196-L324 HydrophobicContact CG-CD1 4.21Å; I217-L324 HydrophobicContact CD1-CD1 4.08Å; I217-L324 HydrophobicContact CD1-CD2 3.51Å; I217-L324 HydrophobicContact CD1-CG 4.46Å; I217-L324 HydrophobicContact CG1-CD1 4.25Å; I217-L324 HydrophobicContact CG1-CD2 4.34Å; I217-L324 HydrophobicContact CG2-CD1 4.34Å; I225-L324 HydrophobicContact CD1-CD1 3.98Å; I225-L324 HydrophobicContact CG2-CB 4.19Å; I225-L324 HydrophobicContact CG2-CD2 4.38Å; I228-L324 HydrophobicContact CB-CD2 4.41Å; I228-L324 HydrophobicContact CG1-CD2 3.86Å; I228-L324 HydrophobicContact CG2-CD2 4.18Å; L324-V326 HydrophobicContact CB-CG2 4.42Å; L324-V326 PolarHBondContact O-N 2.85Å; L324-V340 PolarHBondContact N-O 3.3Å; L324-V340 PolarHBondContact O-N 2.79Å
325M91.2Very high79.3Confident43 Ų4352.5 Ų52.521%0.21232%0.315CS..EExtended strand (participates in β ladder)trans-88.8103.3171.8-69-178.1-125.500109.4K226 K227 K229 E254K226-M325 PolarHBondContact N-O 2.86Å; K227-M325 HydrophobicContact CB-CB 4.26Å; K227-M325 HydrophobicContact CB-CE 3.87Å; K227-M325 HydrophobicContact CB-SD 4.11Å; K227-M325 HydrophobicContact CD-CE 3.82Å; K227-M325 HydrophobicContact CD-SD 3.95Å; K227-M325 PolarHBondContact O-N 3.28Å; K229-M325 HydrophobicContact CB-CE 3.91Å; K229-M325 HydrophobicContact CD-CE 4.19Å; E254-M325 HydrophobicContact CG-CE 4.21Å
326V88.4Confident77.2Confident4 Ų456.2 Ų56.22%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-92.4132.3-177-170.60000110.7F187 L194 K223 I225 L324 C328 V340F187-V326 HydrophobicContact CE1-CB 4.48Å; F187-V326 HydrophobicContact CE1-CG1 4.34Å; F187-V326 HydrophobicContact CE2-CG1 4.46Å; F187-V326 HydrophobicContact CZ-CB 4.21Å; F187-V326 HydrophobicContact CZ-CG1 4Å; F187-V326 HydrophobicContact CZ-CG2 3.93Å; L194-V326 HydrophobicContact CD2-CG2 4.03Å; K223-V326 HydrophobicContact CB-CG1 3.61Å; K223-V326 HydrophobicContact CD-CG1 3.72Å; K223-V326 HydrophobicContact CG-CG1 4.3Å; I225-V326 HydrophobicContact CG1-CG2 4.26Å; L324-V326 HydrophobicContact CB-CG2 4.42Å; L324-V326 PolarHBondContact O-N 2.85Å; V326-C328 PolarHBondContact O-N 3.47Å; V326-V340 HydrophobicContact CG2-CG2 4.35Å
327S82.7Confident75.3Confident23 Ų2358.8 Ų58.816%0.16136%0.361CS..  trans-66.1129.4175.870.20000111.2V224 G329V224-S327 PolarHBondContact N-OG 2.83Å; V224-S327 VanDerWaalsContact O-CB 3.28Å; V224-S327 WeakPolarHBondContact O-CB 3.31Å; V224-S327 PolarHBondContact O-N 2.77Å; V224-S327 PolarHBondContact O-OG 3.3Å; S327-G329 PolarHBondContact O-N 2.64Å
328C69.6Low73.9Confident33 Ų3358.2 Ų58.222%0.22336%0.357CS..  trans-9098.9169.9-87.10000110.9V326 G330 T336V326-C328 PolarHBondContact O-N 3.47Å; C328-G330 PolarHBondContact O-N 3.46Å; C328-T336 PolarHBondContact SG-O 3.34Å
329G58.6Low73Confident66 Ų6662.7 Ų62.768%0.6838%0.381SS*.  trans-80.399168.500000111.4S327S327-G329 PolarHBondContact O-N 2.64Å
330G57.1Low72.8Confident58 Ų5861 Ų6160%0.59837%0.374SS*.SBendtrans-171.2163.8175.800000113C328 L332 G333C328-G330 PolarHBondContact O-N 3.46Å; G330-L332 PolarHBondContact O-N 3.05Å; G330-G333 PolarHBondContact O-N 2.8Å
331I52.5Low72.6Confident185 Ų18562.4 Ų62.495%0.94939%0.389SS*.THydrogen-bonded Turntrans-58.2-20.2-173.4-70.9170.3000114.1
332L53.8Low72.6Confident146 Ų14659.4 Ų59.476%0.76438%0.379SS*.THydrogen-bonded Turntrans-86.52.9-178.9-11283000115.5G330 L335G330-L332 PolarHBondContact O-N 3.05Å; L332-L335 WeakPolarHBondContact O-CD1 3.24Å
333G52.3Low72.6Confident40 Ų4063.8 Ų63.841%0.41240%0.4SS..  trans66.2-177.7178.200000114.3G330 L335G330-G333 PolarHBondContact O-N 2.8Å; G333-L335 PolarHBondContact O-N 3.23Å
334D51.9Low72.7Confident113 Ų11361.8 Ų61.860%0.60439%0.389SS*.SBendtrans-62.320.8-169.1-144.319.7000115.8K226K226-D334 IonicContact NZ-OD1 3.9Å; K226-D334 PolarHBondContact NZ-OD1 3.25Å; K226-D334 IonicContact NZ-OD2 3.86Å; K226-D334 PolarHBondContact NZ-OD2 3.06Å
335L46.9Very low72.7Confident145 Ų14564.9 Ų64.976%0.75941%0.409SS*.SBendtrans-84.4-8.8-167.4-67.9171.5000114.8L332 G333L332-L335 WeakPolarHBondContact O-CD1 3.24Å; G333-L335 PolarHBondContact O-N 3.23Å
336T49.2Very low72.8Confident99 Ų9963 Ų6361%0.60740%0.4SS*.  trans-142.973.2177.655.30000111.9C328 S338C328-T336 PolarHBondContact SG-O 3.34Å; T336-S338 PolarHBondContact O-N 3.08Å
337A55.9Low73Confident59 Ų5964.3 Ų64.349%0.48841%0.407SS..  trans-55.2124.1166.100000109.1D339A337-D339 PolarHBondContact O-N 3Å
338S66.1Low73.5Confident41 Ų4163.2 Ų63.229%0.28740%0.4SS..  trans-94.693.4174.3-70.90000108.1T336 V340T336-S338 PolarHBondContact O-N 3.08Å; S338-V340 PolarHBondContact O-N 2.8Å
339D78.5Confident74.6Confident101 Ų10161.7 Ų61.754%0.5439%0.389SS..  trans-66.6131.3178.4-67.1-17.9000110.2A337A337-D339 PolarHBondContact O-N 3Å
340V90.7Very high76Confident7 Ų760 Ų604%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-118.6123.3173.7-178.70000107.7T183 R185 F187 L194 L324 V326 S338T183-V340 HydrophobicContact CG2-CG1 3.76Å; R185-V340 HydrophobicContact CB-CG1 3.99Å; R185-V340 HydrophobicContact CB-CG2 3.79Å; R185-V340 HydrophobicContact CG-CG2 3.67Å; F187-V340 HydrophobicContact CE1-CG2 4.36Å; F187-V340 HydrophobicContact CZ-CG2 3.71Å; L194-V340 HydrophobicContact CD2-CB 4.39Å; L194-V340 HydrophobicContact CD2-CG2 4.23Å; L324-V340 PolarHBondContact N-O 3.3Å; L324-V340 PolarHBondContact O-N 2.79Å; V326-V340 HydrophobicContact CG2-CG2 4.35Å; S338-V340 PolarHBondContact O-N 2.8Å
341G94.9Very high77.3Confident30 Ų3059.9 Ų59.931%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-149.7167.8-178.300000115V322 N323V322-G341 CarbonylContact O-C 3.55Å; V322-G341 WeakPolarHBondContact O-CA 3.25Å; N323-G341 WeakPolarHBondContact OD1-CA 3.22Å
342V97.3Very high78.3Confident12 Ų1258 Ų587%0.07334%0.338CS..EExtended strand (participates in β ladder)trans-131.6154.3175.4-66.40000109.4A181 T183 L196 A198 R321 V322A181-V342 HydrophobicContact CB-CB 3.92Å; A181-V342 HydrophobicContact CB-CG1 4.33Å; A181-V342 HydrophobicContact CB-CG2 4.47Å; T183-V342 HydrophobicContact CG2-CG1 3.6Å; L196-V342 HydrophobicContact CD2-CG1 4.19Å; L196-V342 HydrophobicContact CD2-CG2 4.1Å; L196-V342 HydrophobicContact CG-CG1 4.35Å; L196-V342 HydrophobicContact CG-CG2 4.28Å; A198-V342 HydrophobicContact CB-CG2 3.66Å; R321-V342 WeakPolarHBondContact CA-O 3.46Å; V322-V342 HydrophobicContact CB-CG2 4.1Å; V322-V342 PolarHBondContact N-O 2.78Å; V322-V342 PolarHBondContact O-N 2.68Å
343E97.3Very high79.1Confident92 Ų9253.2 Ų53.243%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-117.7138175.9-49.4-166150.500109.4K319 V320 R321K319-E343 WeakPolarHBondContact CD-OE2 3.32Å; K319-E343 IonicContact NZ-OE1 3.93Å; K319-E343 PolarHBondContact NZ-OE1 2.82Å; K319-E343 IonicContact NZ-OE2 3.98Å; K319-E343 PolarHBondContact NZ-OE2 2.89Å; V320-E343 CarbonylContact O-C 3.43Å; V320-E343 VanDerWaalsContact O-CA 3.31Å; V320-E343 WeakPolarHBondContact O-CA 3.19Å; R321-E343 HydrophobicContact CG-CG 4.12Å; R321-E343 IonicContact CZ-OE1 2.69Å; R321-E343 IonicContact NE-OE1 3.28Å; R321-E343 PolarHBondContact NE-OE1 2.77Å; R321-E343 IonicContact NH2-OE1 2.86Å; R321-E343 PolarHBondContact NH2-OE1 3.42Å
344L96.8Very high79.4Confident1 Ų155.7 Ų55.71%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-118.3129.2174.7-56173.7000108.6P179 A181 A198 M200 K319 V320P179-L344 HydrophobicContact CB-CB 4.38Å; P179-L344 HydrophobicContact CB-CD2 4.39Å; P179-L344 HydrophobicContact CG-CB 4.26Å; A181-L344 HydrophobicContact CB-CD2 3.55Å; A198-L344 HydrophobicContact CB-CD1 4.06Å; A198-L344 WeakPolarHBondContact O-CD2 3.49Å; M200-L344 HydrophobicContact CE-CB 4.27Å; M200-L344 HydrophobicContact CG-CD1 3.97Å; K319-L344 CarbonylContact C-O 3.52Å; K319-L344 VanDerWaalsContact CA-O 3.23Å; K319-L344 WeakPolarHBondContact CA-O 3.37Å; K319-L344 WeakPolarHBondContact CB-O 3.5Å; V320-L344 HydrophobicContact CB-CB 4.35Å; V320-L344 PolarHBondContact N-O 3.12Å; V320-L344 PolarHBondContact O-N 2.79Å
345P95.1Very high79.3Confident64 Ų6459.2 Ų59.242%0.41634%0.339SS..EExtended strand (participates in β ladder)trans-62.2147.3172.327.9-35.1000110.6P179 M200P179-P345 HydrophobicContact CB-CG 3.82Å; P179-P345 HydrophobicContact CG-CG 4.43Å; M200-P345 WeakPolarHBondContact CE-O 3.48Å
346L93.6Very high79.4Confident5 Ų560.5 Ų60.53%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-134.5127.3178.8172.563.8000110.1M200 H205 I211 V232 S300 Y318 V320 L348M200-L346 HydrophobicContact CE-CD1 4.28Å; H205-L346 HydrophobicContact CB-CD1 4.06Å; H205-L346 VanDerWaalsContact CD2-CD1 3.46Å; H205-L346 WeakPolarHBondContact CD2-CD1 3.43Å; I211-L346 HydrophobicContact CD1-CD1 3.89Å; I211-L346 HydrophobicContact CD1-CD2 3.71Å; I211-L346 HydrophobicContact CD1-CG 4.48Å; V232-L346 HydrophobicContact CG1-CD2 3.83Å; S300-L346 PolarHBondContact OG-O 2.69Å; Y318-L346 PolarHBondContact O-N 3.23Å; V320-L346 HydrophobicContact CG2-CB 4.37Å; V320-L346 HydrophobicContact CG2-CD2 4.18Å; L346-L348 HydrophobicContact CG-CB 4.49Å
347V93.1Very high79.1Confident30 Ų3059.4 Ų59.418%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-101.5105169.6176.80000108.2E203 V204 H205 S300 I349E203-V347 HydrophobicContact CG-CG2 4.03Å; E203-V347 PolarHBondContact O-N 2.9Å; V204-V347 CarbonylContact C-O 3.52Å; V204-V347 WeakPolarHBondContact CA-O 3.26Å; V204-V347 HydrophobicContact CG1-CG1 4.34Å; V204-V347 HydrophobicContact CG2-CB 4.08Å; V204-V347 HydrophobicContact CG2-CG1 4.05Å; H205-V347 PolarHBondContact N-O 3.33Å; S300-V347 WeakPolarHBondContact OG-CA 3.35Å; V347-I349 HydrophobicContact CG1-CG2 3.95Å
348L93.1Very high78.6Confident1 Ų159.1 Ų59.11%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-104.5119.2179.8-17368.4000109.7H205 H207 P273 L297 S299 S300 Y318 L346H205-L348 HydrophobicContact CB-CD1 4.42Å; H205-L348 WeakPolarHBondContact O-CA 3.36Å; H207-L348 VanDerWaalsContact CE1-CD2 3.46Å; H207-L348 WeakPolarHBondContact CE1-CD2 3.3Å; H207-L348 VanDerWaalsContact CE1-CG 3.49Å; H207-L348 WeakPolarHBondContact CE1-CG 3.42Å; H207-L348 WeakPolarHBondContact ND1-CD2 3.39Å; P273-L348 HydrophobicContact CG-CD1 4.42Å; P273-L348 HydrophobicContact CG-CD2 4.22Å; L297-L348 HydrophobicContact CD1-CD2 4.42Å; S299-L348 CarbonylContact C-O 3.59Å; S299-L348 WeakPolarHBondContact CA-O 3.46Å; S299-L348 WeakPolarHBondContact CB-O 3.5Å; S300-L348 PolarHBondContact N-O 2.76Å; S300-L348 PolarHBondContact OG-N 3.06Å; Y318-L348 HydrophobicContact CD1-CD2 4.48Å; Y318-L348 HydrophobicContact CD2-CB 3.99Å; Y318-L348 HydrophobicContact CE1-CD2 4.05Å; Y318-L348 HydrophobicContact CE2-CB 4.06Å; Y318-L348 HydrophobicContact CE2-CD2 4.3Å; Y318-L348 HydrophobicContact CG-CB 4.41Å; L346-L348 HydrophobicContact CG-CB 4.49Å
349I92.1Very high77.9Confident0 Ų062.1 Ų62.10%036%0.361CS..EExtended strand (participates in β ladder)trans-139172.2-173.457.2172.2000112Q169 A171 V204 H205 Y206 H207 V347Q169-I349 HydrophobicContact CG-CG2 4.27Å; A171-I349 HydrophobicContact CB-CD1 3.6Å; A171-I349 WeakPolarHBondContact O-CD1 3.46Å; V204-I349 HydrophobicContact CG1-CD1 3.34Å; V204-I349 HydrophobicContact CG1-CG1 3.76Å; H205-I349 PolarHBondContact O-N 3.18Å; Y206-I349 CarbonylContact C-O 3.55Å; Y206-I349 VanDerWaalsContact CA-O 3.27Å; Y206-I349 WeakPolarHBondContact CA-O 3.35Å; Y206-I349 HydrophobicContact CD1-CD1 4.35Å; Y206-I349 HydrophobicContact CD1-CG1 3.83Å; Y206-I349 HydrophobicContact CE1-CD1 3.8Å; Y206-I349 HydrophobicContact CE1-CG1 3.79Å; H207-I349 PolarHBondContact CD2-O 3.47Å; H207-I349 PolarHBondContact N-O 3.21Å; V347-I349 HydrophobicContact CG1-CG2 3.95Å
350H88.8Confident76.8Confident31 Ų3159.1 Ų59.114%0.14435%0.348CS..BIsolated β-bridgetrans-73.7146173.8-80.9-71.4000112Q169 F170 Y206 H207 D287Q169-H350 PolarHBondContact O-N 2.92Å; F170-H350 WeakPolarHBondContact CD2-O 3.41Å; Y206-H350 VanDerWaalsContact CD1-O 3.28Å; Y206-H350 WeakPolarHBondContact CD1-O 3.34Å; Y206-H350 WeakPolarHBondContact CE1-O 3.45Å; H207-H350 AromaticContact CD2-CE1 3.8Å; H207-H350 AromaticContact CD2-CG 3.94Å; H207-H350 AromaticContact CD2-ND1 3.8Å; H207-H350 AromaticContact CD2-NE2 3.95Å; D287-H350 IonicContact OD2-CD2 3.48Å; D287-H350 IonicContact OD2-CE1 3.45Å; D287-H350 PolarHBondContact OD2-CE1 3.42Å; D287-H350 IonicContact OD2-NE2 3.81Å; D287-H350 PolarHBondContact OD2-NE2 2.84Å
351P82.8Confident75.3Confident55 Ų5567 Ų6736%0.35738%0.384SS..PPolyproline II helixtrans-64.7164172.129.3-34.8000110.9Y206 P353Y206-P351 VanDerWaalsContact CD1-CA 3.42Å; Y206-P351 HydrophobicContact CD1-CB 4.18Å; Y206-P351 HydrophobicContact CG-CB 4.14Å; P351-P353 WeakPolarHBondContact O-CD 3.43Å
352K74.2Confident74.4Confident147 Ų14770.5 Ų70.564%0.63940%0.395SS*.PPolyproline II helixtrans-58.2127.1176.1-170.1175.9178.7177.50108.8F170 S354F170-K352 HydrophobicContact CD2-CB 4.23Å; F170-K352 HydrophobicContact CE1-CG 4.35Å; F170-K352 HydrophobicContact CE2-CB 3.44Å; F170-K352 VanDerWaalsContact CE2-CB 3.44Å; F170-K352 HydrophobicContact CE2-CG 4.01Å; F170-K352 VanDerWaalsContact CE2-N 3.29Å; F170-K352 HydrophobicContact CZ-CB 3.67Å; F170-K352 HydrophobicContact CZ-CD 4.25Å; F170-K352 HydrophobicContact CZ-CG 3.77Å; K352-S354 PolarHBondContact O-N 2.9Å
353P69.7Low73.8Confident44 Ų4470.8 Ų70.829%0.28640%0.397SS..PPolyproline II helixtrans-57127.3173-16.625.9000108.8V24 P351 Q355V24-P353 HydrophobicContact CB-CG 4.02Å; V24-P353 HydrophobicContact CG1-CG 3.81Å; V24-P353 HydrophobicContact CG2-CB 4.3Å; V24-P353 HydrophobicContact CG2-CG 3.32Å; P351-P353 WeakPolarHBondContact O-CD 3.43Å; P353-Q355 PolarHBondContact O-N 2.96Å
354S59.3Low73.3Confident93 Ų9369 Ų6965%0.6539%0.392SS*.PPolyproline II helixtrans-60.1123.816845.10000107.8K352 E356K352-S354 PolarHBondContact O-N 2.9Å; S354-E356 PolarHBondContact O-N 2.82Å
355Q50.8Low73Confident187 Ų18771.9 Ų71.987%0.87441%0.406SS*.  trans-69.374.1168.5-74.7-168.1-19.200108.2P353 A357P353-Q355 PolarHBondContact O-N 2.96Å; Q355-A357 PolarHBondContact O-N 2.98Å
356E48.3Very low72.9Confident171 Ų17172 Ų7280%0.79940%0.401SS*.  trans-70.991.4162.2-73.6-169.3168.600106.5S354 A358S354-E356 PolarHBondContact O-N 2.82Å; E356-A358 PolarHBondContact O-N 2.69Å; E356-A358 VanDerWaalsContact O-N 3.15Å
357A42.6Very low72.8Confident77 Ų7776.2 Ų76.264%0.63642%0.421SS*.  trans-51.5123.516800000107.2Q355 S359Q355-A357 PolarHBondContact O-N 2.98Å; A357-S359 PolarHBondContact O-N 2.92Å; A357-S359 PolarHBondContact O-OG 2.84Å
358A46.8Very low72.6Confident53 Ų5375.4 Ų75.444%0.43842%0.415SS..  trans-65.865.7171.600000109.9R100 E356R100-A358 PolarHBondContact NH1-O 3.5Å; R100-A358 PolarHBondContact NH2-O 2.96Å; E356-A358 PolarHBondContact O-N 2.69Å; E356-A358 VanDerWaalsContact O-N 3.15Å
359S49.6Very low72.2Confident104 Ų10477 Ų7773%0.72743%0.425SS*.  trans-87-9.3-175.556.50000112.5A357A357-S359 PolarHBondContact O-N 2.92Å; A357-S359 PolarHBondContact O-OG 2.84Å
360S56.1Low71.5Confident37 Ų3777.5 Ų77.526%0.25943%0.427SS..  trans-86.6131.6174.672.30000111.7M1 S2 R100 D362M1-S360 WeakPolarHBondContact CA-OG 3.19Å; M1-S360 PolarHBondContact N-OG 3.02Å; S2-S360 PolarHBondContact N-OG 2.97Å; R100-S360 PolarHBondContact NH1-O 2.8Å; S360-D362 VanDerWaalsContact C-N 3.29Å; S360-D362 PolarHBondContact O-N 3.19Å
361E60.4Low70.4Confident173 Ų17382.7 Ų82.781%0.80845%0.449SS*.SBendtrans-65.7-28.7178.5-63.4-175.2158.200113.2I363E361-I363 PolarHBondContact O-N 2.92Å
362D75.3Confident69.2Low103 Ų10381 Ų8155%0.55144%0.441SS*.PPolyproline II helixtrans-78.3116.2-177.9-71.7-31.9000112.8M1 S2 S360M1-D362 CarbonylContact C-O 3.45Å; M1-D362 WeakPolarHBondContact CA-O 3.35Å; M1-D362 HydrophobicContact CB-CB 4.48Å; M1-D362 HydrophobicContact CG-CB 3.73Å; S2-D362 PolarHBondContact N-O 2.92Å; S360-D362 VanDerWaalsContact C-N 3.29Å; S360-D362 PolarHBondContact O-N 3.19Å
363I83.4Confident68.4Low19 Ų1975.5 Ų75.510%0.09742%0.418CS..EExtended strand (participates in β ladder)trans-92.9121.1170.2-65.2176.6000110.3S2 V4 R100 L101 K104 E361 I365S2-I363 WeakPolarHBondContact O-CA 3.48Å; V4-I363 HydrophobicContact CB-CG2 3.97Å; V4-I363 HydrophobicContact CG2-CG2 3.59Å; R100-I363 HydrophobicContact CB-CD1 3.51Å; R100-I363 HydrophobicContact CG-CD1 4.47Å; L101-I363 HydrophobicContact CD2-CD1 4.29Å; K104-I363 HydrophobicContact CD-CB 4.45Å; K104-I363 PolarHBondContact NZ-O 3.29Å; E361-I363 PolarHBondContact O-N 2.92Å; I363-I365 HydrophobicContact CG2-CG1 4Å
364V87.8Confident67.7Low55 Ų5576.9 Ų76.933%0.33342%0.421SS..EExtended strand (participates in β ladder)trans-99.7124.8167.6178.50000108.5M1 S2 V4 E366M1-V364 HydrophobicContact CB-CG2 3.93Å; M1-V364 HydrophobicContact CG-CG2 4.1Å; M1-V364 HydrophobicContact SD-CG2 3.34Å; M1-V364 WeakPolarHBondContact SD-CG2 3.34Å; S2-V364 PolarHBondContact O-N 3.49Å; V4-V364 PolarHBondContact N-O 2.84Å; V364-E366 HydrophobicContact CG1-CG 4.21Å
365I90.5Very high67.3Low60 Ų6079.7 Ų79.731%0.30842%0.423SS..EExtended strand (participates in β ladder)trans-97.7119.5179.1-58.1173.8000107.8V4 K6 Y17 K104 I363V4-I365 CarbonylContact O-C 3.59Å; V4-I365 WeakPolarHBondContact O-CA 2.94Å; K6-I365 HydrophobicContact CB-CG2 3.65Å; K6-I365 HydrophobicContact CD-CG2 4.16Å; Y17-I365 HydrophobicContact CD1-CD1 4.5Å; Y17-I365 HydrophobicContact CD1-CG2 4.32Å; Y17-I365 HydrophobicContact CE1-CD1 4.06Å; Y17-I365 HydrophobicContact CE1-CG2 4.05Å; K104-I365 HydrophobicContact CD-CD1 4.34Å; I363-I365 HydrophobicContact CG2-CG1 4Å
366E92.1Very high67.2Low66 Ų6675.8 Ų75.831%0.30841%0.408SS..EExtended strand (participates in β ladder)trans-113.8156.7177-63.3179.7-173.200109.5K3 V4 F5 K6 V364K3-E366 VanDerWaalsContact CE-OE1 3.26Å; K3-E366 WeakPolarHBondContact CE-OE1 3.22Å; K3-E366 IonicContact NZ-OE1 3.93Å; K3-E366 PolarHBondContact NZ-OE1 2.85Å; K3-E366 IonicContact NZ-OE2 2.68Å; V4-E366 PolarHBondContact O-N 3.45Å; F5-E366 CarbonylContact C-O 3.54Å; F5-E366 WeakPolarHBondContact CA-O 3.25Å; F5-E366 HydrophobicContact CD1-CB 4.27Å; F5-E366 HydrophobicContact CE1-CB 4.47Å; K6-E366 PolarHBondContact N-O 3.48Å; V364-E366 HydrophobicContact CG1-CG 4.21Å
367E92.7Very high67.4Low95 Ų9572.9 Ų72.944%0.44440%0.395SS..EExtended strand (participates in β ladder)trans-65.5147.9171.5-76.3-60.5137.600111K6 R21 T369K6-E367 CarbonylContact O-C 3.4Å; R21-E367 PolarHBondContact NH2-O 3.49Å; E367-T369 PolarHBondContact O-N 3.27Å
368F88.1Confident67.6Low12 Ų1275.7 Ų75.75%0.05339%0.393CS..SBendtrans-72.2-18.1-178.9-170.6-89.6000112.7F5 K6 K7 L18 R21 L163 V164 V165 R370F5-F368 HydrophobicContact CB-CB 4.28Å; F5-F368 HydrophobicContact CB-CD2 3.59Å; F5-F368 HydrophobicContact CB-CE2 4.42Å; F5-F368 HydrophobicContact CB-CG 4.35Å; F5-F368 HydrophobicContact CG-CD2 4.41Å; K6-F368 WeakPolarHBondContact O-CB 3.49Å; K6-F368 PolarHBondContact O-N 3.16Å; K7-F368 HydrophobicContact CB-CB 4.08Å; L18-F368 HydrophobicContact CD1-CE2 4.02Å; R21-F368 HydrophobicContact CB-CE2 4.26Å; R21-F368 HydrophobicContact CB-CZ 4.19Å; R21-F368 HydrophobicContact CG-CD2 4.16Å; R21-F368 HydrophobicContact CG-CE2 3.66Å; R21-F368 HydrophobicContact CG-CZ 3.92Å; R21-F368 VanDerWaalsContact CZ-O 3.3Å; R21-F368 PolarHBondContact NE-O 3.18Å; R21-F368 PolarHBondContact NH2-O 3.1Å; L163-F368 HydrophobicContact CB-CD1 3.97Å; L163-F368 HydrophobicContact CB-CD2 4.31Å; L163-F368 HydrophobicContact CB-CE1 3.74Å; L163-F368 HydrophobicContact CB-CE2 4.07Å; L163-F368 HydrophobicContact CB-CG 4.28Å; L163-F368 HydrophobicContact CB-CZ 3.8Å; L163-F368 HydrophobicContact CD2-CB 3.76Å; L163-F368 HydrophobicContact CD2-CD1 3.95Å; L163-F368 HydrophobicContact CD2-CD2 3.27Å; L163-F368 HydrophobicContact CD2-CE1 4.4Å; L163-F368 HydrophobicContact CD2-CE2 3.77Å; L163-F368 HydrophobicContact CD2-CG 3.38Å; L163-F368 HydrophobicContact CD2-CZ 4.32Å; L163-F368 HydrophobicContact CG-CD1 4.29Å; L163-F368 HydrophobicContact CG-CD2 4.31Å; L163-F368 HydrophobicContact CG-CG 4.21Å; V164-F368 VanDerWaalsContact O-CE1 3.25Å; V164-F368 WeakPolarHBondContact O-CE1 3.38Å; V164-F368 WeakPolarHBondContact O-CZ 3.28Å; V165-F368 HydrophobicContact CG1-CE2 4.36Å; V165-F368 HydrophobicContact CG1-CZ 3.95Å; F368-R370 PolarHBondContact O-N 3.36Å
369T84.9Confident67.6Low36 Ų3675.4 Ų75.422%0.22139%0.39CS..SBendtrans-56.1135177.7-30.20000110.5R21 E367 E373 E374R21-T369 PolarHBondContact NH2-O 3.31Å; E367-T369 PolarHBondContact O-N 3.27Å; T369-E373 HydrophobicContact CG2-CB 3.9Å; T369-E374 HydrophobicContact CG2-CG 4.05Å
370R78.4Confident67.4Low9 Ų973.5 Ų73.53%0.03438%0.381CS..PPolyproline II helixtrans-84.2146.3-178.7-68.8175.2-178.7-122.3-3110D22 R166 H292 D294 F368 G372 E373D22-R370 IonicContact OD1-CZ 2.91Å; D22-R370 IonicContact OD1-NH1 2.94Å; D22-R370 IonicContact OD1-NH2 3.72Å; D22-R370 PolarHBondContact OD1-NH2 3.14Å; R166-R370 VanDerWaalsContact NE-NH1 3.1Å; H292-R370 HydrophobicContact CB-CB 4.34Å; H292-R370 WeakPolarHBondContact ND1-CD 3.31Å; D294-R370 IonicContact OD1-CZ 3.4Å; D294-R370 IonicContact OD1-NH1 2.69Å; D294-R370 PolarHBondContact OD1-NH1 2.88Å; D294-R370 IonicContact OD2-CZ 4Å; D294-R370 IonicContact OD2-NH1 3.37Å; D294-R370 PolarHBondContact OD2-NH1 2.87Å; F368-R370 PolarHBondContact O-N 3.36Å; R370-G372 PolarHBondContact O-N 2.65Å; R370-E373 WeakPolarHBondContact O-CB 3.02Å; R370-E373 PolarHBondContact O-N 3.1Å
371K65.3Low66.9Low141 Ų14178.5 Ų78.561%0.61340%0.4SS*.THydrogen-bonded Turntrans-58135.9173.3-66.8-174176.6-173.30109.9E293E293-K371 PolarHBondContact N-O 2.9Å
372G56.6Low66.2Low18 Ų1873.1 Ų73.119%0.18639%0.386CS..THydrogen-bonded Turntrans94.3-23.4-16900000115.1K291 R370K291-G372 CarbonylContact O-C 3.48Å; K291-G372 WeakPolarHBondContact O-CA 3.37Å; R370-G372 PolarHBondContact O-N 2.65Å
373E58.5Low64.9Low32 Ų3276.1 Ų76.115%0.1540%0.396CS..Hα-helixtrans-78.3-36.2165.8-96.5179.7164.900112.2K289 K291 H292 T369 R370 Q377K289-E373 IonicContact NZ-OE1 2.89Å; K289-E373 PolarHBondContact NZ-OE1 2.84Å; K291-E373 HydrophobicContact CD-CG 3.75Å; K291-E373 WeakPolarHBondContact CE-OE1 3.11Å; K291-E373 HydrophobicContact CG-CG 4.32Å; K291-E373 IonicContact NZ-OE1 3.01Å; K291-E373 PolarHBondContact NZ-OE1 2.82Å; H292-E373 IonicContact CD2-OE2 3.47Å; H292-E373 IonicContact CE1-OE1 2.74Å; H292-E373 IonicContact CE1-OE2 3.51Å; H292-E373 WeakPolarHBondContact NE2-CG 3.24Å; H292-E373 IonicContact NE2-OE1 3.31Å; H292-E373 PolarHBondContact NE2-OE1 3.4Å; H292-E373 VanDerWaalsContact NE2-OE1 3.09Å; H292-E373 IonicContact NE2-OE2 2.7Å; H292-E373 PolarHBondContact NE2-OE2 2.99Å; T369-E373 HydrophobicContact CG2-CB 3.9Å; R370-E373 WeakPolarHBondContact O-CB 3.02Å; R370-E373 PolarHBondContact O-N 3.1Å; E373-Q377 PolarHBondContact O-N 3.46Å; E373-Q377 VanDerWaalsContact O-N 3.13Å
374E54.4Low62.9Low74 Ų7477.5 Ų77.535%0.34642%0.416SS..Hα-helixtrans-70-38.7-178.7-64.2179.3177.400113.1T369 N376 Q377 K378T369-E374 HydrophobicContact CG2-CG 4.05Å; E374-N376 VanDerWaalsContact C-N 3.29Å; E374-N376 PolarHBondContact O-N 2.86Å; E374-Q377 PolarHBondContact O-N 3.28Å; E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 WeakPolarHBondContact O-CG 3.34Å; E374-K378 PolarHBondContact O-N 3.06Å
375E49.9Very low60.8Low151 Ų15181.3 Ų81.371%0.70643%0.434SS*.Hα-helixtrans-64.5-37.5178.4-68.5-177.8164.900111.4A379E375-A379 WeakPolarHBondContact O-CB 3.39Å; E375-A379 PolarHBondContact O-N 3.44Å
376N50.2Low58.5Low105 Ų10587.5 Ų87.556%0.56146%0.462SS*.Hα-helixtrans-77.7-31.9-179.8-139.225000112.3E374 A380E374-N376 VanDerWaalsContact C-N 3.29Å; E374-N376 PolarHBondContact O-N 2.86Å; N376-A380 WeakPolarHBondContact O-CB 3.37Å; N376-A380 PolarHBondContact O-N 3.05Å
377Q51.3Low56.2Low110 Ų11087.6 Ų87.651%0.51448%0.481SS..Hα-helixtrans-65.4-44.7169.8-80.9175.1-14.800111.1E373 E374 A379 A380 E381E373-Q377 PolarHBondContact O-N 3.46Å; E373-Q377 VanDerWaalsContact O-N 3.13Å; E374-Q377 PolarHBondContact O-N 3.28Å; Q377-A379 VanDerWaalsContact C-N 3.35Å; Q377-A379 PolarHBondContact O-N 3.19Å; Q377-A380 PolarHBondContact O-N 2.82Å; Q377-E381 WeakPolarHBondContact O-CB 3.37Å; Q377-E381 WeakPolarHBondContact O-CG 3.46Å; Q377-E381 PolarHBondContact O-N 3.45Å
378K47.2Very low53.4Low137 Ų13791.3 Ų91.360%0.59652%0.517SS*.Hα-helixtrans-63.7-37.7174.9-73.1178179.7178.60112.8E374 A382E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 WeakPolarHBondContact O-CG 3.34Å; E374-K378 PolarHBondContact O-N 3.06Å; K378-A382 WeakPolarHBondContact O-CB 3.49Å; K378-A382 PolarHBondContact O-N 3.04Å
379A46.8Very low51.6Low46 Ų4695.3 Ų95.338%0.3854%0.54SS..Hα-helixtrans-66.4-42.7175.100000112.1E375 Q377 A382 E383E375-A379 WeakPolarHBondContact O-CB 3.39Å; E375-A379 PolarHBondContact O-N 3.44Å; Q377-A379 VanDerWaalsContact C-N 3.35Å; Q377-A379 PolarHBondContact O-N 3.19Å; A379-A382 PolarHBondContact O-N 3.09Å; A379-E383 PolarHBondContact O-N 3.46Å
380A46Very low49.9Very low65 Ų6598.4 Ų98.454%0.53756%0.557SS.*Hα-helixtrans-68.2-33176.600000113N376 Q377 G384N376-A380 WeakPolarHBondContact O-CB 3.37Å; N376-A380 PolarHBondContact O-N 3.05Å; Q377-A380 PolarHBondContact O-N 2.82Å; A380-G384 PolarHBondContact O-N 3.24Å
381E45.8Very low48.3Very low141 Ų141103.4 Ų103.466%0.65959%0.586SS**Hα-helixtrans-71.4-35.2173.4-74.4172.6-179.300111.9Q377 G384 D385Q377-E381 WeakPolarHBondContact O-CB 3.37Å; Q377-E381 WeakPolarHBondContact O-CG 3.46Å; Q377-E381 PolarHBondContact O-N 3.45Å; E381-G384 PolarHBondContact O-N 3.36Å; E381-D385 PolarHBondContact O-N 2.75Å
382A45.8Very low47.3Very low61 Ų61101.2 Ų101.250%0.50459%0.585SS.*Hα-helixtrans-70.4-36.717600000113.1K378 A379 G384 D385K378-A382 WeakPolarHBondContact O-CB 3.49Å; K378-A382 PolarHBondContact O-N 3.04Å; A379-A382 PolarHBondContact O-N 3.09Å; A382-G384 VanDerWaalsContact C-N 3.27Å; A382-G384 PolarHBondContact O-N 3.31Å; A382-D385 PolarHBondContact O-N 3.2Å
383E47.1Very low46.7Very low165 Ų165106.4 Ų106.477%0.77161%0.61SS**Hα-helixtrans-72.2-20.3174.3-72.6-172.4168.700113.1A379A379-E383 PolarHBondContact O-N 3.46Å
384G41.1Very low45.9Very low49 Ų49111.3 Ų111.351%0.50564%0.64SS.*Hα-helixtrans-80.1-19.7175.400000114.6A380 E381 A382A380-G384 PolarHBondContact O-N 3.24Å; E381-G384 PolarHBondContact O-N 3.36Å; A382-G384 VanDerWaalsContact C-N 3.27Å; A382-G384 PolarHBondContact O-N 3.31Å
385D44Very low45.3Very low135 Ų135114 Ų11472%0.72266%0.661SS**Hα-helixtrans-95.8-13.6-175-148.226.4000112.9E381 A382 G387E381-D385 PolarHBondContact O-N 2.75Å; A382-D385 PolarHBondContact O-N 3.2Å; D385-G387 PolarHBondContact O-N 3.06Å
386E41.9Very low45Very low189 Ų189111.2 Ų111.288%0.88366%0.658SS**THydrogen-bonded Turntrans-834.4171.6-70.5-163.7159.300113.7
387G44.2Very low44.6Very low69 Ų69111.7 Ų111.771%0.71167%0.666SS**THydrogen-bonded Turntrans-126.719.3-172.900000116.6D385D385-G387 PolarHBondContact O-N 3.06Å
388S33.3Very low43.9Very low173 Ų173111.8 Ų111.8100%1.2168%0.68SS**  trans-109.20176.2-66.10000113.6

Retrieved 388 of 388 residues in 346.9 ms (Link to these results)

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