A0A077ZCF5_TRITR Loading...

RCC1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 382 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
1M73.1Confident84.3Confident193 Ų19335.7 Ų35.795%0.95119%0.19SC*.  0148.60-71-173.9-11900108.4C382M1-C382 WeakPolarHBondContact CB-OXT 3.44Å
2P84.5Confident82Confident78 Ų7833.3 Ų33.351%0.50618%0.18SC..  trans-66.2140.6177.128.6-33.7000110.4
3V90.3Very high80.1Confident34 Ų3432.5 Ų32.521%0.20618%0.175CC..  trans-90.4131.6175.1-177.70000108.2Q37 P38 L380 L381 C382V3-Q37 HydrophobicContact CB-CB 4.39Å; V3-Q37 PolarHBondContact O-OE1 3.43Å; V3-Q37 VanDerWaalsContact O-OE1 3.13Å; V3-P38 HydrophobicContact CG1-CB 4.3Å; V3-P38 VanDerWaalsContact O-CD 3.25Å; V3-P38 WeakPolarHBondContact O-CD 3.26Å; V3-L380 HydrophobicContact CG1-CB 4.29Å; V3-L380 HydrophobicContact CG1-CD2 4.34Å; V3-L381 CarbonylContact C-O 3.55Å; V3-L381 VanDerWaalsContact CA-O 3.28Å; V3-L381 WeakPolarHBondContact CA-O 3.47Å; V3-C382 HydrophobicContact CG2-CB 4.26Å
4M90.8Very high78.1Confident29 Ų2934.5 Ų34.514%0.14319%0.186CC..EExtended strand (participates in β ladder)trans-121.1147.2-176.3-64.2177.5-75.500111F6 R27 L380 L381M4-F6 HydrophobicContact CB-CD2 4.07Å; M4-F6 HydrophobicContact CB-CE2 3.74Å; M4-F6 HydrophobicContact CE-CE2 4.32Å; M4-F6 HydrophobicContact SD-CE2 4.15Å; M4-R27 PolarHBondContact SD-NH1 3.05Å; M4-L380 WeakPolarHBondContact O-CA 3.44Å; M4-L381 PolarHBondContact N-O 3.07Å; M4-L381 PolarHBondContact O-N 3.18Å
5V92.2Very high76.2Confident1 Ų144.1 Ų44.11%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-96.4126171.8-172.40000108.6R27 L28 L30 P38 I41 V50 V378 L380V5-R27 WeakPolarHBondContact O-CA 3.28Å; V5-L28 HydrophobicContact CB-CB 4.21Å; V5-L28 HydrophobicContact CG1-CB 4.22Å; V5-L28 HydrophobicContact CG1-CD1 4.08Å; V5-L28 PolarHBondContact O-N 3.19Å; V5-L30 HydrophobicContact CG2-CD1 3.74Å; V5-P38 HydrophobicContact CG2-CB 3.67Å; V5-P38 HydrophobicContact CG2-CG 3.52Å; V5-I41 HydrophobicContact CG1-CG2 4.4Å; V5-V50 HydrophobicContact CG1-CG2 4.35Å; V5-V50 HydrophobicContact CG2-CG1 4Å; V5-V50 HydrophobicContact CG2-CG2 4.3Å; V5-V378 HydrophobicContact CG1-CG1 3.52Å; V5-L380 HydrophobicContact CB-CD2 4.43Å; V5-L380 HydrophobicContact CG2-CD2 3.74Å
6F91.5Very high74.6Confident16 Ų1645.9 Ų45.97%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-118.4144.2171.1-81.4-107.5000110.1M4 P25 F26 R27 P361 V378 V379 L381M4-F6 HydrophobicContact CB-CD2 4.07Å; M4-F6 HydrophobicContact CB-CE2 3.74Å; M4-F6 HydrophobicContact CE-CE2 4.32Å; M4-F6 HydrophobicContact SD-CE2 4.15Å; F6-P25 HydrophobicContact CB-CB 4.44Å; F6-P25 HydrophobicContact CD1-CB 4.02Å; F6-F26 CarbonylContact C-O 3.6Å; F6-F26 VanDerWaalsContact CA-O 3.28Å; F6-F26 WeakPolarHBondContact CA-O 3.34Å; F6-R27 HydrophobicContact CD1-CB 4.46Å; F6-R27 HydrophobicContact CE1-CB 4.07Å; F6-R27 HydrophobicContact CE2-CB 4.21Å; F6-R27 HydrophobicContact CE2-CG 4.4Å; F6-R27 HydrophobicContact CZ-CB 3.94Å; F6-P361 HydrophobicContact CD1-CB 4.13Å; F6-P361 HydrophobicContact CD1-CG 4.07Å; F6-P361 HydrophobicContact CE1-CB 3.79Å; F6-P361 HydrophobicContact CE1-CG 4.25Å; F6-P361 HydrophobicContact CE2-CB 4.34Å; F6-P361 HydrophobicContact CG-CG 4.34Å; F6-P361 HydrophobicContact CZ-CB 3.9Å; F6-V378 CarbonylContact O-C 3.53Å; F6-V378 VanDerWaalsContact O-CA 3.28Å; F6-V378 WeakPolarHBondContact O-CA 3.36Å; F6-V379 HydrophobicContact CB-CG2 3.79Å; F6-V379 PolarHBondContact N-O 2.86Å; F6-V379 PolarHBondContact O-N 2.9Å; F6-L381 HydrophobicContact CB-CD1 4.29Å; F6-L381 HydrophobicContact CD1-CD1 4.47Å; F6-L381 HydrophobicContact CD2-CD1 3.25Å; F6-L381 HydrophobicContact CD2-CG 4.03Å; F6-L381 HydrophobicContact CE2-CD1 3.54Å; F6-L381 HydrophobicContact CG-CD1 3.77Å; F6-L381 HydrophobicContact CZ-CD1 4.27Å
7T90.7Very high73.2Confident2 Ų248.3 Ų48.31%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-138.4154.3176.9-168.90000110.9P25 F26 L28 T377T7-P25 WeakPolarHBondContact O-CA 3.47Å; T7-F26 HydrophobicContact CG2-CD1 4.11Å; T7-F26 HydrophobicContact CG2-CD2 4.48Å; T7-F26 HydrophobicContact CG2-CE1 3.44Å; T7-F26 VanDerWaalsContact CG2-CE1 3.44Å; T7-F26 HydrophobicContact CG2-CE2 3.86Å; T7-F26 HydrophobicContact CG2-CZ 3.29Å; T7-F26 PolarHBondContact N-O 2.59Å; T7-F26 WeakPolarHBondContact O-CD1 2.94Å; T7-F26 WeakPolarHBondContact O-CE1 3.21Å; T7-F26 PolarHBondContact O-N 3.24Å; T7-L28 HydrophobicContact CG2-CD1 3.78Å; T7-L28 HydrophobicContact CG2-CD2 3.87Å; T7-L28 HydrophobicContact CG2-CG 3.66Å; T7-T377 CarbonylContact C-O 3.48Å; T7-T377 WeakPolarHBondContact CA-O 3.35Å; T7-T377 PolarHBondContact OG1-O 2.99Å
8W88.9Confident72.1Confident1 Ų154.4 Ų54.40%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-153.9173.4171.464.392.9000111.2S22 P25 V327 I337 L338 G339 V358 H376 T377 V379W8-S22 WeakPolarHBondContact CB-O 3.48Å; W8-P25 HydrophobicContact CD2-CG 4.04Å; W8-P25 HydrophobicContact CE3-CB 3.89Å; W8-P25 HydrophobicContact CE3-CG 3.71Å; W8-P25 HydrophobicContact CG-CG 4.44Å; W8-P25 HydrophobicContact CZ3-CB 4.44Å; W8-P25 HydrophobicContact CZ3-CG 4.19Å; W8-V327 HydrophobicContact CH2-CG1 4.28Å; W8-I337 VanDerWaalsContact CD1-O 3.32Å; W8-I337 PolarHBondContact NE1-O 2.87Å; W8-L338 VanDerWaalsContact NE1-C 3.29Å; W8-L338 PolarHBondContact NE1-O 3.19Å; W8-G339 VanDerWaalsContact CD1-N 3.27Å; W8-V358 HydrophobicContact CH2-CG1 4.03Å; W8-V358 HydrophobicContact CH2-CG2 4.39Å; W8-V358 HydrophobicContact CZ2-CG1 3.88Å; W8-V358 HydrophobicContact CZ2-CG2 3.94Å; W8-V358 HydrophobicContact CZ3-CG1 4.47Å; W8-H376 VanDerWaalsContact O-CA 3.25Å; W8-H376 WeakPolarHBondContact O-CA 3.26Å; W8-H376 WeakPolarHBondContact O-CB 3.25Å; W8-T377 HydrophobicContact CD2-CG2 4.44Å; W8-T377 VanDerWaalsContact CE2-CB 3.46Å; W8-T377 HydrophobicContact CE3-CG2 4.49Å; W8-T377 HydrophobicContact CH2-CG2 3.33Å; W8-T377 VanDerWaalsContact CZ2-CB 3.47Å; W8-T377 HydrophobicContact CZ2-CG2 3.22Å; W8-T377 HydrophobicContact CZ3-CG2 3.98Å; W8-T377 PolarHBondContact N-O 3.37Å; W8-T377 PolarHBondContact O-N 3.35Å; W8-V379 HydrophobicContact CH2-CG1 3.56Å; W8-V379 HydrophobicContact CH2-CG2 4.37Å; W8-V379 HydrophobicContact CZ3-CB 4.36Å; W8-V379 HydrophobicContact CZ3-CG1 3.75Å; W8-V379 HydrophobicContact CZ3-CG2 3.76Å
9G86.2Confident71.2Confident0 Ų057.9 Ų57.90%031%0.311CS..EExtended strand (participates in β ladder)trans93.9-155.4-169.300000111.9C11 S22 D335G9-C11 PolarHBondContact O-N 2.93Å; G9-C11 VanDerWaalsContact O-N 3.13Å; G9-S22 PolarHBondContact N-O 2.64Å; G9-S22 PolarHBondContact O-N 3.45Å; G9-D335 CarbonylContact C-O 3.6Å; G9-D335 WeakPolarHBondContact CA-O 3.5Å
10F75.2Confident70.7Confident31 Ų3155.5 Ų55.514%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-81.890.8173.8-166.7-78.4000109.5R18 N19 V21 F46 H375F10-R18 WeakPolarHBondContact CE1-O 3.23Å; F10-R18 WeakPolarHBondContact CZ-O 3.12Å; F10-N19 HydrophobicContact CE2-CB 4.35Å; F10-V21 HydrophobicContact CD2-CG2 3.9Å; F10-F46 AromaticContact CD1-CD1 3.48Å; F10-F46 HydrophobicContact CD1-CD1 3.48Å; F10-F46 VanDerWaalsContact CD1-CD1 3.48Å; F10-F46 AromaticContact CD1-CE1 3.29Å; F10-F46 HydrophobicContact CD1-CE1 3.29Å; F10-F46 AromaticContact CE1-CD1 3.81Å; F10-F46 HydrophobicContact CE1-CD1 3.81Å; F10-F46 AromaticContact CE1-CE1 3.55Å; F10-F46 HydrophobicContact CE1-CE1 3.55Å; F10-F46 HydrophobicContact CG-CE1 4.13Å; F10-H375 WeakPolarHBondContact CA-O 3.17Å; F10-H375 HydrophobicContact CB-CB 4.24Å; F10-H375 PolarHBondContact N-O 3.28Å
11C64.1Low70.5Confident8 Ų855.2 Ų55.25%0.05430%0.299CS..  trans-81.1-23171.5570000111.5G9 L13 F26G9-C11 PolarHBondContact O-N 2.93Å; G9-C11 VanDerWaalsContact O-N 3.13Å; C11-L13 WeakPolarHBondContact O-CG 3.34Å; C11-L13 PolarHBondContact O-N 3.11Å; C11-F26 HydrophobicContact CB-CZ 4.35Å
12G56.9Low70.7Confident7 Ų746.8 Ų46.87%0.07226%0.259CS..SBendtrans67.612.4-177.500000114.4
13L56.7Low70.4Confident22 Ų2244.8 Ų44.812%0.11525%0.246CC..  trans-1254.2-168.8-57.4178.3000116C11 E15 C60 G61 V76 P77C11-L13 WeakPolarHBondContact O-CG 3.34Å; C11-L13 PolarHBondContact O-N 3.11Å; L13-E15 VanDerWaalsContact C-N 3.33Å; L13-E15 PolarHBondContact O-N 3.28Å; L13-C60 HydrophobicContact CD1-CB 3.59Å; L13-C60 VanDerWaalsContact CD1-SG 3.57Å; L13-G61 VanDerWaalsContact CD2-CA 3.49Å; L13-V76 WeakPolarHBondContact CD2-O 3.38Å; L13-P77 HydrophobicContact CD2-CB 4.44Å
14N52.7Low70.1Confident61 Ų6146.9 Ų46.933%0.32626%0.256SS..BIsolated β-bridgetrans-66.899.5171.3-68.5-6000108.3G16 N17 A20N14-G16 PolarHBondContact O-N 3.16Å; N14-N17 PolarHBondContact O-N 2.62Å; N14-A20 HydrophobicContact CB-CB 3.55Å
15E50Low69.9Low178 Ų17846.7 Ų46.783%0.83226%0.257SS*.THydrogen-bonded Turntrans36.257.6162.8-58.3-167.1153.600115.1L13 N17L13-E15 VanDerWaalsContact C-N 3.33Å; L13-E15 PolarHBondContact O-N 3.28Å; E15-N17 VanDerWaalsContact C-N 3.33Å; E15-N17 PolarHBondContact O-N 3.26Å
16G49.3Very low69.7Low74 Ų7449.3 Ų49.376%0.76327%0.268SS*.THydrogen-bonded Turntrans86.8-7.2174.500000115.4N14 R18N14-G16 PolarHBondContact O-N 3.16Å; G16-R18 PolarHBondContact O-N 3.09Å
17N51.8Low69.5Low86 Ų8654.6 Ų54.646%0.4629%0.288SS..BIsolated β-bridgetrans-87.894.1171.8-172.3-3.9000111N14 E15 N19 A20N14-N17 PolarHBondContact O-N 2.62Å; E15-N17 VanDerWaalsContact C-N 3.33Å; E15-N17 PolarHBondContact O-N 3.26Å; N17-N19 PolarHBondContact O-N 2.52Å; N17-N19 PolarHBondContact OD1-N 2.9Å; N17-A20 HydrophobicContact CB-CB 3.9Å; N17-A20 VanDerWaalsContact O-CB 3.31Å; N17-A20 WeakPolarHBondContact O-CB 3.02Å; N17-A20 PolarHBondContact O-N 3.07Å; N17-A20 PolarHBondContact OD1-N 3.33Å
18R52.3Low69.4Low158 Ų15855.5 Ų55.560%0.59629%0.292SS*.THydrogen-bonded Turntrans-53.5-21.2175.2-80-173.5-178.5-163.21.8114.8F10 G16 R62F10-R18 WeakPolarHBondContact CE1-O 3.23Å; F10-R18 WeakPolarHBondContact CZ-O 3.12Å; G16-R18 PolarHBondContact O-N 3.09Å; R18-R62 PolarHBondContact O-NH2 3.42Å
19N55.3Low69.3Low122 Ų12260.3 Ų60.365%0.65232%0.318SS*.THydrogen-bonded Turntrans-109.49.8-178.5-66.1-15.6000113.1F10 N17 V21F10-N19 HydrophobicContact CE2-CB 4.35Å; N17-N19 PolarHBondContact O-N 2.52Å; N17-N19 PolarHBondContact OD1-N 2.9Å; N19-V21 PolarHBondContact O-N 3.45Å
20A61.2Low69.3Low8 Ų861.2 Ų61.27%0.06632%0.323CS..  trans-68.4120.9-178.600000111.7N14 N17N14-A20 HydrophobicContact CB-CB 3.55Å; N17-A20 HydrophobicContact CB-CB 3.9Å; N17-A20 VanDerWaalsContact O-CB 3.31Å; N17-A20 WeakPolarHBondContact O-CB 3.02Å; N17-A20 PolarHBondContact O-N 3.07Å; N17-A20 PolarHBondContact OD1-N 3.33Å
21V67.3Low69.6Low50 Ų5063.7 Ų63.730%0.30336%0.357SS..EExtended strand (participates in β ladder)trans-90.9127.7165.9167.90000107.8F10 N19 P23 D335F10-V21 HydrophobicContact CD2-CG2 3.9Å; N19-V21 PolarHBondContact O-N 3.45Å; V21-P23 HydrophobicContact CG1-CB 4.41Å; V21-P23 WeakPolarHBondContact O-CD 3.33Å; V21-D335 WeakPolarHBondContact CG1-O 3.36Å; V21-D335 HydrophobicContact CG2-CB 4.12Å
22S76.8Confident70.3Confident16 Ų1665.5 Ų65.511%0.11237%0.368CS..EExtended strand (participates in β ladder)trans-105.497.4165.3-1660000108.7W8 G9 L24 F26W8-S22 WeakPolarHBondContact CB-O 3.48Å; G9-S22 PolarHBondContact N-O 2.64Å; G9-S22 PolarHBondContact O-N 3.45Å; S22-L24 PolarHBondContact O-N 2.95Å; S22-L24 PolarHBondContact OG-O 3.17Å; S22-L24 VanDerWaalsContact OG-O 3.13Å; S22-F26 VanDerWaalsContact CB-CE1 3.5Å; S22-F26 WeakPolarHBondContact OG-CD1 3.38Å
23P79.1Confident71.3Confident37 Ų3768.1 Ų68.124%0.2439%0.385CS..EExtended strand (participates in β ladder)trans-74.8-8-174.231.7-35.1000113.6V21 G339 F343V21-P23 HydrophobicContact CG1-CB 4.41Å; V21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-G339 CarbonylContact O-C 3.57Å; P23-G339 WeakPolarHBondContact O-CA 3.36Å; P23-F343 HydrophobicContact CB-CB 3.99Å; P23-F343 HydrophobicContact CB-CD1 3.25Å; P23-F343 HydrophobicContact CB-CD2 4.12Å; P23-F343 HydrophobicContact CB-CE1 3.66Å; P23-F343 HydrophobicContact CB-CE2 4.48Å; P23-F343 HydrophobicContact CB-CG 3.5Å; P23-F343 VanDerWaalsContact CB-CG 3.5Å; P23-F343 HydrophobicContact CB-CZ 4.26Å; P23-F343 HydrophobicContact CG-CD1 3.74Å; P23-F343 HydrophobicContact CG-CE1 4.15Å; P23-F343 HydrophobicContact CG-CG 4.37Å
24L83.1Confident72.3Confident78 Ų7873.2 Ų73.241%0.40842%0.417SS..EExtended strand (participates in β ladder)trans-119.9149.3177.2-60.6178.1000110.2S22 F26 A359S22-L24 PolarHBondContact O-N 2.95Å; S22-L24 PolarHBondContact OG-O 3.17Å; S22-L24 VanDerWaalsContact OG-O 3.13Å; L24-F26 PolarHBondContact O-N 2.97Å; L24-A359 HydrophobicContact CD2-CB 4.07Å
25P87.5Confident73.9Confident25 Ų2574.4 Ų74.416%0.16243%0.427CS..EExtended strand (participates in β ladder)trans-54.1128172.1-25.235.2000112F6 T7 W8 V358 P361F6-P25 HydrophobicContact CB-CB 4.44Å; F6-P25 HydrophobicContact CD1-CB 4.02Å; T7-P25 WeakPolarHBondContact O-CA 3.47Å; W8-P25 HydrophobicContact CD2-CG 4.04Å; W8-P25 HydrophobicContact CE3-CB 3.89Å; W8-P25 HydrophobicContact CE3-CG 3.71Å; W8-P25 HydrophobicContact CG-CG 4.44Å; W8-P25 HydrophobicContact CZ3-CB 4.44Å; W8-P25 HydrophobicContact CZ3-CG 4.19Å; P25-V358 HydrophobicContact CG-CG1 3.65Å; P25-P361 HydrophobicContact CB-CG 4.4Å
26F86.8Confident76Confident55 Ų5567.1 Ų67.124%0.24139%0.393CS..EExtended strand (participates in β ladder)trans-128.4154.7169.571.9-81.7000110F6 T7 C11 S22 L24 L28F6-F26 CarbonylContact C-O 3.6Å; F6-F26 VanDerWaalsContact CA-O 3.28Å; F6-F26 WeakPolarHBondContact CA-O 3.34Å; T7-F26 HydrophobicContact CG2-CD1 4.11Å; T7-F26 HydrophobicContact CG2-CD2 4.48Å; T7-F26 HydrophobicContact CG2-CE1 3.44Å; T7-F26 VanDerWaalsContact CG2-CE1 3.44Å; T7-F26 HydrophobicContact CG2-CE2 3.86Å; T7-F26 HydrophobicContact CG2-CZ 3.29Å; T7-F26 PolarHBondContact N-O 2.59Å; T7-F26 WeakPolarHBondContact O-CD1 2.94Å; T7-F26 WeakPolarHBondContact O-CE1 3.21Å; T7-F26 PolarHBondContact O-N 3.24Å; C11-F26 HydrophobicContact CB-CZ 4.35Å; S22-F26 VanDerWaalsContact CB-CE1 3.5Å; S22-F26 WeakPolarHBondContact OG-CD1 3.38Å; L24-F26 PolarHBondContact O-N 2.97Å; F26-L28 HydrophobicContact CE2-CD2 3.74Å; F26-L28 HydrophobicContact CZ-CD2 4.25Å
27R88Confident78.1Confident128 Ų12865.6 Ų65.648%0.48337%0.366SS..EExtended strand (participates in β ladder)trans-78.7137.4-175.7179.6173.3158.7162.8-7111.4M4 V5 F6 D29M4-R27 PolarHBondContact SD-NH1 3.05Å; V5-R27 WeakPolarHBondContact O-CA 3.28Å; F6-R27 HydrophobicContact CD1-CB 4.46Å; F6-R27 HydrophobicContact CE1-CB 4.07Å; F6-R27 HydrophobicContact CE2-CB 4.21Å; F6-R27 HydrophobicContact CE2-CG 4.4Å; F6-R27 HydrophobicContact CZ-CB 3.94Å; R27-D29 IonicContact CZ-OD1 3.4Å; R27-D29 VanDerWaalsContact CZ-OD1 3.23Å; R27-D29 IonicContact NE-OD1 3.4Å; R27-D29 PolarHBondContact NE-OD1 2.92Å; R27-D29 IonicContact NH2-OD1 3.83Å; R27-D29 PolarHBondContact NH2-OD1 3.49Å
28L88Confident80.2Confident20 Ų2061.9 Ų61.911%0.10535%0.346CS..EExtended strand (participates in β ladder)trans-99.3117.2165.7-66.3178.8000109.6V5 T7 F26 T48 L79V5-L28 HydrophobicContact CB-CB 4.21Å; V5-L28 HydrophobicContact CG1-CB 4.22Å; V5-L28 HydrophobicContact CG1-CD1 4.08Å; V5-L28 PolarHBondContact O-N 3.19Å; T7-L28 HydrophobicContact CG2-CD1 3.78Å; T7-L28 HydrophobicContact CG2-CD2 3.87Å; T7-L28 HydrophobicContact CG2-CG 3.66Å; F26-L28 HydrophobicContact CE2-CD2 3.74Å; F26-L28 HydrophobicContact CZ-CD2 4.25Å; L28-T48 HydrophobicContact CD1-CG2 4.45Å; L28-L79 HydrophobicContact CB-CD1 3.83Å; L28-L79 HydrophobicContact CB-CG 4.48Å
29D86.9Confident82.2Confident102 Ų10257 Ų5755%0.54534%0.34SS..PPolyproline II helixtrans-85125.7177.7-73.9-51.4000112R27 G31R27-D29 IonicContact CZ-OD1 3.4Å; R27-D29 VanDerWaalsContact CZ-OD1 3.23Å; R27-D29 IonicContact NE-OD1 3.4Å; R27-D29 PolarHBondContact NE-OD1 2.92Å; R27-D29 IonicContact NH2-OD1 3.83Å; R27-D29 PolarHBondContact NH2-OD1 3.49Å; D29-G31 VanDerWaalsContact C-N 3.34Å
30L85.8Confident84Confident19 Ų1952.2 Ų52.210%0.09932%0.316CS..  trans-79.1-17.9175.6-79.575.7000112.8V5 T32 P38 V50 T52 F58 L79V5-L30 HydrophobicContact CG2-CD1 3.74Å; L30-T32 HydrophobicContact CB-CG2 3.83Å; L30-T32 HydrophobicContact CD2-CG2 4.4Å; L30-T32 PolarHBondContact O-N 2.86Å; L30-P38 HydrophobicContact CD1-CG 3.77Å; L30-P38 HydrophobicContact CD2-CG 3.94Å; L30-V50 HydrophobicContact CD2-CG1 4.23Å; L30-T52 HydrophobicContact CD2-CG2 3.57Å; L30-F58 HydrophobicContact CD2-CD2 4.19Å; L30-F58 HydrophobicContact CD2-CE2 4.37Å; L30-L79 HydrophobicContact CD1-CD1 3.68Å; L30-L79 HydrophobicContact CG-CD1 3.84Å
31G82Confident85.7Confident83 Ų8352.2 Ų52.286%0.85632%0.315SS*.  trans62.723.5-172.500000113.7D29D29-G31 VanDerWaalsContact C-N 3.34Å
32T78.6Confident87.1Confident47 Ų4750.1 Ų50.129%0.28830%0.302SS..  trans-92.3166.1-176.3520000112.9L30 E36 F58L30-T32 HydrophobicContact CB-CG2 3.83Å; L30-T32 HydrophobicContact CD2-CG2 4.4Å; L30-T32 PolarHBondContact O-N 2.86Å; T32-E36 HydrophobicContact CG2-CB 4.44Å; T32-E36 HydrophobicContact CG2-CG 3.91Å; T32-E36 PolarHBondContact OG1-O 3.39Å; T32-F58 HydrophobicContact CG2-CE1 4.24Å; T32-F58 HydrophobicContact CG2-CE2 4.01Å; T32-F58 HydrophobicContact CG2-CZ 3.49Å; T32-F58 VanDerWaalsContact CG2-CZ 3.49Å
33S77.7Confident87.9Confident62 Ų6249.4 Ų49.443%0.43430%0.297SS..  trans-65161.9173.178.80000112.1T35 E36S33-T35 PolarHBondContact O-N 3.47Å; S33-T35 PolarHBondContact OG-N 2.9Å; S33-T35 PolarHBondContact OG-OG1 3.12Å; S33-E36 PolarHBondContact O-N 3.23Å; S33-E36 PolarHBondContact OG-N 2.88Å
34T78.1Confident88.6Confident129 Ų12947.6 Ų47.679%0.79129%0.286SS*.THydrogen-bonded Turntrans-58.2-20.7175.253.10000114Q37T34-Q37 PolarHBondContact O-NE2 3.13Å
35T87Confident89Confident86 Ų8644.4 Ų44.453%0.52827%0.269SS..THydrogen-bonded Turntrans-90.5-12.8179.3700000114S33 N53 K54S33-T35 PolarHBondContact O-N 3.47Å; S33-T35 PolarHBondContact OG-N 2.9Å; S33-T35 PolarHBondContact OG-OG1 3.12Å; T35-N53 PolarHBondContact O-ND2 3.38Å; T35-K54 WeakPolarHBondContact O-CE 3.21Å
36E93.9Very high89.1Confident25 Ų2545.3 Ų45.312%0.11727%0.271CS..  trans-108.9105.1179.7177.5170.2-161.300109.7T32 S33 T52 N53 K54 N56T32-E36 HydrophobicContact CG2-CB 4.44Å; T32-E36 HydrophobicContact CG2-CG 3.91Å; T32-E36 PolarHBondContact OG1-O 3.39Å; S33-E36 PolarHBondContact O-N 3.23Å; S33-E36 PolarHBondContact OG-N 2.88Å; E36-T52 HydrophobicContact CG-CG2 3.81Å; E36-T52 WeakPolarHBondContact OE1-CB 3.42Å; E36-T52 WeakPolarHBondContact OE1-CG2 3.23Å; E36-T52 PolarHBondContact OE1-OG1 2.94Å; E36-N53 WeakPolarHBondContact CA-OD1 3.48Å; E36-K54 HydrophobicContact CB-CG 3.97Å; E36-K54 HydrophobicContact CG-CB 4.25Å; E36-K54 HydrophobicContact CG-CG 3.97Å; E36-N56 VanDerWaalsContact OE1-CB 3.3Å; E36-N56 WeakPolarHBondContact OE1-CB 3.49Å; E36-N56 PolarHBondContact OE1-ND2 2.95Å
37Q93.2Very high89.4Confident42 Ų4242.8 Ų42.820%0.19626%0.26CS..  trans-116.2146.9-171.4-62.3-67.7-32.800109.8V3 T34 T52 N53V3-Q37 HydrophobicContact CB-CB 4.39Å; V3-Q37 PolarHBondContact O-OE1 3.43Å; V3-Q37 VanDerWaalsContact O-OE1 3.13Å; T34-Q37 PolarHBondContact O-NE2 3.13Å; Q37-T52 CarbonylContact O-C 3.53Å; Q37-T52 WeakPolarHBondContact O-CA 3.2Å; Q37-T52 WeakPolarHBondContact O-CB 3.45Å; Q37-N53 PolarHBondContact N-OD1 3.19Å; Q37-N53 PolarHBondContact O-N 3.28Å; Q37-N53 PolarHBondContact O-OD1 2.98Å
38P94.9Very high89.7Confident8 Ų837 Ų375%0.05224%0.238CC..EExtended strand (participates in β ladder)trans-54.1139.6168.3-19.830.6000111.3V3 V5 L30 V50 L380V3-P38 HydrophobicContact CG1-CB 4.3Å; V3-P38 VanDerWaalsContact O-CD 3.25Å; V3-P38 WeakPolarHBondContact O-CD 3.26Å; V5-P38 HydrophobicContact CG2-CB 3.67Å; V5-P38 HydrophobicContact CG2-CG 3.52Å; L30-P38 HydrophobicContact CD1-CG 3.77Å; L30-P38 HydrophobicContact CD2-CG 3.94Å; P38-V50 HydrophobicContact CB-CG1 4.01Å; P38-L380 HydrophobicContact CB-CD2 3.61Å
39A94.7Very high90.1Very high56 Ų5636 Ų3646%0.46323%0.234SC..EExtended strand (participates in β ladder)trans-130.3-29.2-17800000113.4V51 N53A39-V51 PolarHBondContact N-O 2.89Å; A39-N53 HydrophobicContact CB-CB 4.32Å
40S94.5Very high90.5Very high20 Ų2031.2 Ų31.214%0.1421%0.208CC..EExtended strand (participates in β ladder)trans-148.3147.9175.9175.60000110V50 V51S40-V50 WeakPolarHBondContact O-CA 3.29Å; S40-V51 PolarHBondContact N-O 2.8Å; S40-V51 VanDerWaalsContact N-O 3.14Å; S40-V51 PolarHBondContact O-N 3.11Å
41I96.1Very high91.1Very high8 Ų830.4 Ų30.44%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-132149.8-179.352.9168.8000111V5 V49 V50 D369 V378 L380V5-I41 HydrophobicContact CG1-CG2 4.4Å; I41-V49 CarbonylContact C-O 3.47Å; I41-V49 WeakPolarHBondContact CA-O 3.48Å; I41-V50 HydrophobicContact CG2-CG1 4.2Å; I41-V50 HydrophobicContact CG2-CG2 4.17Å; I41-D369 HydrophobicContact CG1-CB 4.4Å; I41-V378 HydrophobicContact CB-CG1 4.21Å; I41-V378 HydrophobicContact CD1-CB 4.03Å; I41-V378 HydrophobicContact CD1-CG1 3.79Å; I41-V378 VanDerWaalsContact CD1-O 3.31Å; I41-V378 WeakPolarHBondContact CD1-O 3.43Å; I41-V378 HydrophobicContact CG2-CG1 4.19Å; I41-L380 HydrophobicContact CD1-CG 3.99Å; I41-L380 HydrophobicContact CG1-CD1 4.46Å; I41-L380 HydrophobicContact CG1-CG 4.02Å; I41-L380 HydrophobicContact CG2-CD1 4.2Å; I41-L380 HydrophobicContact CG2-CD2 3.47Å; I41-L380 VanDerWaalsContact CG2-CD2 3.47Å; I41-L380 HydrophobicContact CG2-CG 3.74Å
42S96.8Very high91.8Very high7 Ų726.5 Ų26.55%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-144.9131.3170.7-152.70000111.4V49 S94 A95S42-V49 PolarHBondContact N-O 2.97Å; S42-V49 PolarHBondContact O-N 3.22Å; S42-S94 WeakPolarHBondContact OG-CA 3.34Å; S42-A95 PolarHBondContact OG-N 2.79Å
43A94.4Very high92.6Very high0 Ų028 Ų280%017%0.169CC..EExtended strand (participates in β ladder)trans-100.7124.2176.500000110.3K257 S371 V378A43-K257 PolarHBondContact O-NZ 3.39Å; A43-S371 PolarHBondContact N-OG 2.99Å; A43-V378 HydrophobicContact CB-CG2 4.22Å
44G93.1Very high93.4Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-106.8-175.5168.800000112F46 F47 G96 S373 H376G44-F46 PolarHBondContact O-N 3.49Å; G44-F47 VanDerWaalsContact CA-CE1 3.48Å; G44-F47 PolarHBondContact N-O 3.22Å; G44-G96 WeakPolarHBondContact CA-O 3.26Å; G44-S373 VanDerWaalsContact O-CB 3.24Å; G44-S373 WeakPolarHBondContact O-CB 3.41Å; G44-S373 PolarHBondContact O-OG 3.02Å; G44-H376 PolarHBondContact O-CE1 3.12Å
45T90.9Very high94.2Very high10 Ų1023.9 Ų23.96%0.06113%0.133CC..THydrogen-bonded Turntrans-71.9100.4178.8-53.50000109.7F47 R67 S97 W98 S373 A374T45-F47 WeakPolarHBondContact O-CD1 3.32Å; T45-R67 PolarHBondContact O-NH1 3.35Å; T45-S97 VanDerWaalsContact CB-O 3.22Å; T45-S97 WeakPolarHBondContact CB-O 3.49Å; T45-S97 WeakPolarHBondContact OG1-CA 3.29Å; T45-S97 PolarHBondContact OG1-O 2.79Å; T45-W98 HydrophobicContact CG2-CH2 4.06Å; T45-W98 HydrophobicContact CG2-CZ2 4.13Å; T45-S373 PolarHBondContact N-OG 3.3Å; T45-A374 HydrophobicContact CG2-CB 4.3Å
46F89.4Confident94.7Very high45 Ų4520.5 Ų20.520%0.19711%0.112CC..THydrogen-bonded Turntrans69.726.3-177.4-53.2-71.4000116.8F10 G44 G61 R62 H375F10-F46 AromaticContact CD1-CD1 3.48Å; F10-F46 HydrophobicContact CD1-CD1 3.48Å; F10-F46 VanDerWaalsContact CD1-CD1 3.48Å; F10-F46 AromaticContact CD1-CE1 3.29Å; F10-F46 HydrophobicContact CD1-CE1 3.29Å; F10-F46 AromaticContact CE1-CD1 3.81Å; F10-F46 HydrophobicContact CE1-CD1 3.81Å; F10-F46 AromaticContact CE1-CE1 3.55Å; F10-F46 HydrophobicContact CE1-CE1 3.55Å; F10-F46 HydrophobicContact CG-CE1 4.13Å; G44-F46 PolarHBondContact O-N 3.49Å; F46-G61 WeakPolarHBondContact O-CA 3.47Å; F46-R62 HydrophobicContact CB-CB 4.14Å; F46-R62 HydrophobicContact CB-CG 3.58Å; F46-R62 HydrophobicContact CG-CG 4.38Å; F46-R62 PolarHBondContact O-N 3.45Å; F46-H375 HydrophobicContact CD1-CB 3.77Å; F46-H375 AromaticContact CD1-CD2 3.81Å; F46-H375 AromaticContact CD1-CG 3.88Å; F46-H375 AromaticContact CD2-CD2 3.89Å; F46-H375 HydrophobicContact CE1-CB 3.52Å; F46-H375 AromaticContact CE1-CD2 3.27Å; F46-H375 WeakPolarHBondContact CE1-CD2 3.2Å; F46-H375 AromaticContact CE1-CG 3.23Å; F46-H375 AromaticContact CE1-ND1 3.79Å; F46-H375 AromaticContact CE1-NE2 3.87Å; F46-H375 AromaticContact CE2-CD2 3.33Å; F46-H375 WeakPolarHBondContact CE2-CD2 3.17Å; F46-H375 AromaticContact CE2-NE2 3.48Å; F46-H375 WeakPolarHBondContact CE2-NE2 3.4Å; F46-H375 HydrophobicContact CZ-CB 4.21Å; F46-H375 AromaticContact CZ-CD2 3.01Å; F46-H375 WeakPolarHBondContact CZ-CD2 3.48Å; F46-H375 AromaticContact CZ-CE1 3.6Å; F46-H375 AromaticContact CZ-CG 3.41Å; F46-H375 VanDerWaalsContact CZ-CG 3.41Å; F46-H375 AromaticContact CZ-ND1 3.75Å; F46-H375 AromaticContact CZ-NE2 3.17Å; F46-H375 WeakPolarHBondContact CZ-NE2 3.3Å
47F92.9Very high94.9Very high2 Ų219.3 Ų19.31%0.00911%0.106CC..EExtended strand (participates in β ladder)trans-153.6156.3171.971.2-79.4000112G44 T45 V49 C60 R67 L68 A95 C100 H376G44-F47 VanDerWaalsContact CA-CE1 3.48Å; G44-F47 PolarHBondContact N-O 3.22Å; T45-F47 WeakPolarHBondContact O-CD1 3.32Å; F47-V49 HydrophobicContact CD2-CG2 3.9Å; F47-V49 HydrophobicContact CE2-CG2 3.71Å; F47-C60 CarbonylContact C-O 3.57Å; F47-C60 VanDerWaalsContact CA-O 3.31Å; F47-C60 WeakPolarHBondContact CA-O 3.16Å; F47-C60 WeakPolarHBondContact CB-O 3.38Å; F47-R67 HydrophobicContact CD1-CG 3.85Å; F47-R67 HydrophobicContact CD2-CG 4.48Å; F47-R67 HydrophobicContact CE1-CB 4.35Å; F47-R67 HydrophobicContact CE1-CG 4.04Å; F47-R67 HydrophobicContact CG-CG 4.06Å; F47-R67 HydrophobicContact CZ-CB 4.49Å; F47-R67 HydrophobicContact CZ-CG 4.45Å; F47-L68 HydrophobicContact CB-CD2 3.58Å; F47-L68 HydrophobicContact CD2-CD2 4.12Å; F47-L68 HydrophobicContact CG-CD2 4.09Å; F47-A95 HydrophobicContact CE2-CB 3.58Å; F47-A95 HydrophobicContact CZ-CB 3.67Å; F47-C100 WeakPolarHBondContact CE2-SG 3.27Å; F47-C100 VanDerWaalsContact CZ-SG 3.54Å; F47-H376 PolarHBondContact O-CE1 3.39Å; F47-H376 PolarHBondContact O-NE2 3.31Å
48T94.3Very high95Very high6 Ų618 Ų184%0.03710%0.1CC..EExtended strand (participates in β ladder)trans-122140.7-179.1-550000109.4L28 V50 V59 C60 H376 V378L28-T48 HydrophobicContact CD1-CG2 4.45Å; T48-V50 HydrophobicContact CG2-CG2 4.02Å; T48-V59 WeakPolarHBondContact O-CA 3.14Å; T48-C60 PolarHBondContact N-O 3.25Å; T48-C60 PolarHBondContact O-N 2.84Å; T48-C60 VanDerWaalsContact O-N 3.12Å; T48-H376 PolarHBondContact OG1-NE2 2.74Å; T48-V378 HydrophobicContact CG2-CB 4.45Å; T48-V378 HydrophobicContact CG2-CG1 4.04Å; T48-V378 HydrophobicContact CG2-CG2 3.72Å
49V96.5Very high95.1Very high0 Ų017.6 Ų17.60%010%0.097CC..EExtended strand (participates in β ladder)trans-121.2133.6172.4-170.50000108.1I41 S42 F47 V57 F58 V59 V93 A95I41-V49 CarbonylContact C-O 3.47Å; I41-V49 WeakPolarHBondContact CA-O 3.48Å; S42-V49 PolarHBondContact N-O 2.97Å; S42-V49 PolarHBondContact O-N 3.22Å; F47-V49 HydrophobicContact CD2-CG2 3.9Å; F47-V49 HydrophobicContact CE2-CG2 3.71Å; V49-V57 HydrophobicContact CG1-CG1 3.58Å; V49-F58 CarbonylContact C-O 3.56Å; V49-F58 WeakPolarHBondContact CA-O 3.47Å; V49-V59 HydrophobicContact CG1-CG1 4.15Å; V49-V59 HydrophobicContact CG2-CG1 4.23Å; V49-V93 HydrophobicContact CB-CG2 4.29Å; V49-V93 HydrophobicContact CG1-CB 3.91Å; V49-V93 HydrophobicContact CG1-CG1 3.78Å; V49-V93 HydrophobicContact CG1-CG2 3.89Å; V49-A95 HydrophobicContact CG2-CB 4.27Å
50V96.9Very high95Very high0 Ų015 Ų150%08%0.076CC..EExtended strand (participates in β ladder)trans-128.2133.2179.2-174.50000108.7V5 L30 P38 S40 I41 T48 V57 F58 L79V5-V50 HydrophobicContact CG1-CG2 4.35Å; V5-V50 HydrophobicContact CG2-CG1 4Å; V5-V50 HydrophobicContact CG2-CG2 4.3Å; L30-V50 HydrophobicContact CD2-CG1 4.23Å; P38-V50 HydrophobicContact CB-CG1 4.01Å; S40-V50 WeakPolarHBondContact O-CA 3.29Å; I41-V50 HydrophobicContact CG2-CG1 4.2Å; I41-V50 HydrophobicContact CG2-CG2 4.17Å; T48-V50 HydrophobicContact CG2-CG2 4.02Å; V50-V57 CarbonylContact O-C 3.54Å; V50-V57 WeakPolarHBondContact O-CA 3.34Å; V50-F58 HydrophobicContact CB-CB 4.47Å; V50-F58 PolarHBondContact N-O 3.38Å; V50-F58 PolarHBondContact O-N 2.79Å; V50-L79 HydrophobicContact CG2-CD1 4.49Å; V50-L79 HydrophobicContact CG2-CD2 4.04Å
51V97.1Very high94.9Very high2 Ų214.1 Ų14.11%0.0127%0.07CC..EExtended strand (participates in β ladder)trans-109.7137.3170.5-179.90000108.7A39 S40 N56 V57 I90 V93A39-V51 PolarHBondContact N-O 2.89Å; S40-V51 PolarHBondContact N-O 2.8Å; S40-V51 VanDerWaalsContact N-O 3.14Å; S40-V51 PolarHBondContact O-N 3.11Å; V51-N56 WeakPolarHBondContact CA-O 3.46Å; V51-V57 HydrophobicContact CG2-CG2 4.15Å; V51-I90 HydrophobicContact CG1-CB 4.35Å; V51-I90 HydrophobicContact CG1-CG2 4.17Å; V51-I90 VanDerWaalsContact CG1-O 3.29Å; V51-I90 WeakPolarHBondContact CG1-O 3.46Å; V51-I90 HydrophobicContact CG2-CG2 3.81Å; V51-V93 HydrophobicContact CG2-CB 3.95Å; V51-V93 HydrophobicContact CG2-CG1 3.28Å; V51-V93 HydrophobicContact CG2-CG2 3.5Å
52T96.7Very high94.7Very high1 Ų115.9 Ų15.91%0.0068%0.076CC..EExtended strand (participates in β ladder)trans-92.1163.9176.270.50000112.1L30 E36 Q37 K54 G55 N56 F58L30-T52 HydrophobicContact CD2-CG2 3.57Å; E36-T52 HydrophobicContact CG-CG2 3.81Å; E36-T52 WeakPolarHBondContact OE1-CB 3.42Å; E36-T52 WeakPolarHBondContact OE1-CG2 3.23Å; E36-T52 PolarHBondContact OE1-OG1 2.94Å; Q37-T52 CarbonylContact O-C 3.53Å; Q37-T52 WeakPolarHBondContact O-CA 3.2Å; Q37-T52 WeakPolarHBondContact O-CB 3.45Å; T52-K54 PolarHBondContact O-N 3.22Å; T52-K54 VanDerWaalsContact O-N 3.09Å; T52-K54 PolarHBondContact OG1-N 3.47Å; T52-G55 WeakPolarHBondContact O-CA 3.46Å; T52-G55 PolarHBondContact O-N 2.84Å; T52-N56 PolarHBondContact N-O 2.94Å; T52-N56 PolarHBondContact OG1-N 3.12Å; T52-F58 HydrophobicContact CG2-CD2 3.91Å; T52-F58 HydrophobicContact CG2-CE2 3.66Å
53N94.8Very high94.5Very high78 Ų7815.5 Ų15.542%0.4177%0.073SC..THydrogen-bonded Turntrans-61.1-14171.568.5-20.5000113.7T35 E36 Q37 A39T35-N53 PolarHBondContact O-ND2 3.38Å; E36-N53 WeakPolarHBondContact CA-OD1 3.48Å; Q37-N53 PolarHBondContact N-OD1 3.19Å; Q37-N53 PolarHBondContact O-N 3.28Å; Q37-N53 PolarHBondContact O-OD1 2.98Å; A39-N53 HydrophobicContact CB-CB 4.32Å
54K95.2Very high94.5Very high104 Ų10421 Ų2145%0.45210%0.097SC..THydrogen-bonded Turntrans-93.43.2171.9-59.1-58.2-176.2-1800113T35 E36 T52 N56 K89T35-K54 WeakPolarHBondContact O-CE 3.21Å; E36-K54 HydrophobicContact CB-CG 3.97Å; E36-K54 HydrophobicContact CG-CB 4.25Å; E36-K54 HydrophobicContact CG-CG 3.97Å; T52-K54 PolarHBondContact O-N 3.22Å; T52-K54 VanDerWaalsContact O-N 3.09Å; T52-K54 PolarHBondContact OG1-N 3.47Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-N56 PolarHBondContact O-N 3.06Å; K54-K89 WeakPolarHBondContact O-CD 3.3Å
55G96.1Very high94.6Very high2 Ų224.9 Ų24.92%0.02111%0.113CC..  trans70.32317900000115.3T52 I90T52-G55 WeakPolarHBondContact O-CA 3.46Å; T52-G55 PolarHBondContact O-N 2.84Å; G55-I90 WeakPolarHBondContact CA-O 3.41Å; G55-I90 PolarHBondContact O-N 3.12Å
56N96.5Very high94.8Very high14 Ų1424.4 Ų24.48%0.07511%0.11CC..  trans-87.1145.8170.1-62.5-37.1000109.4E36 V51 T52 K54 F58 R81 K89E36-N56 VanDerWaalsContact OE1-CB 3.3Å; E36-N56 WeakPolarHBondContact OE1-CB 3.49Å; E36-N56 PolarHBondContact OE1-ND2 2.95Å; V51-N56 WeakPolarHBondContact CA-O 3.46Å; T52-N56 PolarHBondContact N-O 2.94Å; T52-N56 PolarHBondContact OG1-N 3.12Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-N56 PolarHBondContact O-N 3.06Å; N56-F58 HydrophobicContact CB-CE2 3.96Å; N56-R81 VanDerWaalsContact CG-NH2 3.34Å; N56-R81 PolarHBondContact OD1-NH2 2.98Å; N56-K89 PolarHBondContact OD1-NZ 3.23Å
57V97.8Very high95.1Very high1 Ų122.5 Ų22.51%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-111.5131.7-178.5-171.50000109.8V49 V50 V51 V59 R81 I82 F84 I90 V93V49-V57 HydrophobicContact CG1-CG1 3.58Å; V50-V57 CarbonylContact O-C 3.54Å; V50-V57 WeakPolarHBondContact O-CA 3.34Å; V51-V57 HydrophobicContact CG2-CG2 4.15Å; V57-V59 HydrophobicContact CG1-CG1 4.49Å; V57-R81 VanDerWaalsContact O-CA 3.32Å; V57-R81 WeakPolarHBondContact O-CA 3Å; V57-I82 HydrophobicContact CB-CD1 4.4Å; V57-I82 HydrophobicContact CB-CG1 3.93Å; V57-I82 HydrophobicContact CG1-CD1 4.06Å; V57-I82 HydrophobicContact CG1-CG1 4.04Å; V57-I82 PolarHBondContact O-N 3.06Å; V57-F84 HydrophobicContact CB-CE2 3.77Å; V57-F84 HydrophobicContact CB-CZ 4.44Å; V57-F84 HydrophobicContact CG1-CE2 4.32Å; V57-F84 HydrophobicContact CG2-CD2 4.2Å; V57-F84 HydrophobicContact CG2-CE2 3.4Å; V57-F84 HydrophobicContact CG2-CZ 3.95Å; V57-I90 HydrophobicContact CG2-CB 3.63Å; V57-I90 HydrophobicContact CG2-CG1 3.56Å; V57-I90 HydrophobicContact CG2-CG2 3.86Å; V57-V93 HydrophobicContact CG1-CG1 4.3Å
58F96.5Very high95.3Very high14 Ų1422.4 Ų22.46%0.06110%0.1CC..EExtended strand (participates in β ladder)trans-118.9143.4175.8-66.5-104.7000109.8L30 T32 V49 V50 T52 N56 L79 K80 R81L30-F58 HydrophobicContact CD2-CD2 4.19Å; L30-F58 HydrophobicContact CD2-CE2 4.37Å; T32-F58 HydrophobicContact CG2-CE1 4.24Å; T32-F58 HydrophobicContact CG2-CE2 4.01Å; T32-F58 HydrophobicContact CG2-CZ 3.49Å; T32-F58 VanDerWaalsContact CG2-CZ 3.49Å; V49-F58 CarbonylContact C-O 3.56Å; V49-F58 WeakPolarHBondContact CA-O 3.47Å; V50-F58 HydrophobicContact CB-CB 4.47Å; V50-F58 PolarHBondContact N-O 3.38Å; V50-F58 PolarHBondContact O-N 2.79Å; T52-F58 HydrophobicContact CG2-CD2 3.91Å; T52-F58 HydrophobicContact CG2-CE2 3.66Å; N56-F58 HydrophobicContact CB-CE2 3.96Å; F58-L79 HydrophobicContact CB-CB 4.18Å; F58-L79 HydrophobicContact CB-CD2 3.99Å; F58-L79 HydrophobicContact CD1-CB 4.3Å; F58-K80 CarbonylContact C-O 3.57Å; F58-K80 VanDerWaalsContact CA-O 3.31Å; F58-K80 WeakPolarHBondContact CA-O 3.43Å; F58-R81 HydrophobicContact CD1-CB 4.01Å; F58-R81 HydrophobicContact CE1-CB 3.78Å; F58-R81 HydrophobicContact CE1-CG 4.48Å; F58-R81 HydrophobicContact CZ-CB 4.11Å; F58-R81 HydrophobicContact CZ-CG 4.33Å
59V95.9Very high95.4Very high0 Ų022.3 Ų22.30%010%0.101CC..EExtended strand (participates in β ladder)trans-134.5149-179.1-600000110.8T48 V49 V57 L68 T70 L79 K80 I82T48-V59 WeakPolarHBondContact O-CA 3.14Å; V49-V59 HydrophobicContact CG1-CG1 4.15Å; V49-V59 HydrophobicContact CG2-CG1 4.23Å; V57-V59 HydrophobicContact CG1-CG1 4.49Å; V59-L68 HydrophobicContact CB-CB 4.46Å; V59-L68 HydrophobicContact CB-CD2 4.24Å; V59-L68 HydrophobicContact CG2-CB 4.01Å; V59-L68 WeakPolarHBondContact CG2-O 3.45Å; V59-T70 HydrophobicContact CG2-CG2 4.07Å; V59-L79 WeakPolarHBondContact O-CA 3.36Å; V59-K80 PolarHBondContact N-O 2.94Å; V59-K80 PolarHBondContact O-N 2.9Å; V59-I82 HydrophobicContact CG1-CD1 3.95Å; V59-I82 HydrophobicContact CG1-CG1 4.41Å; V59-I82 HydrophobicContact CG2-CG2 3.72Å
60C93.7Very high95.4Very high1 Ų123.5 Ų23.51%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-151.7154.8166.965.50000109.8L13 F47 T48 V76 L79L13-C60 HydrophobicContact CD1-CB 3.59Å; L13-C60 VanDerWaalsContact CD1-SG 3.57Å; F47-C60 CarbonylContact C-O 3.57Å; F47-C60 VanDerWaalsContact CA-O 3.31Å; F47-C60 WeakPolarHBondContact CA-O 3.16Å; F47-C60 WeakPolarHBondContact CB-O 3.38Å; T48-C60 PolarHBondContact N-O 3.25Å; T48-C60 PolarHBondContact O-N 2.84Å; T48-C60 VanDerWaalsContact O-N 3.12Å; C60-V76 CarbonylContact C-O 3.58Å; C60-V76 WeakPolarHBondContact CA-O 3.47Å; C60-V76 WeakPolarHBondContact CB-O 3.3Å; C60-L79 HydrophobicContact CB-CD2 4.11Å; C60-L79 HydrophobicContact CB-CG 4.5Å
61G92.2Very high95.4Very high1 Ų125.4 Ų25.41%0.0113%0.127CC..EExtended strand (participates in β ladder)trans131.6-150.717800000113.2L13 F46 D75 V76L13-G61 VanDerWaalsContact CD2-CA 3.49Å; F46-G61 WeakPolarHBondContact O-CA 3.47Å; G61-D75 WeakPolarHBondContact O-CA 3.27Å; G61-V76 PolarHBondContact N-O 2.86Å; G61-V76 PolarHBondContact O-N 2.81Å
62R91.6Very high95.2Very high45 Ų4528.4 Ų28.417%0.1714%0.144CC..  trans-77.6131.4178.8-65.1-62.1-170.8164.1-3.4112.4R18 F46 R67 L68 D75R18-R62 PolarHBondContact O-NH2 3.42Å; F46-R62 HydrophobicContact CB-CB 4.14Å; F46-R62 HydrophobicContact CB-CG 3.58Å; F46-R62 HydrophobicContact CG-CG 4.38Å; F46-R62 PolarHBondContact O-N 3.45Å; R62-R67 WeakPolarHBondContact O-CD 3.3Å; R62-R67 WeakPolarHBondContact O-CG 3.2Å; R62-R67 PolarHBondContact O-NE 3.14Å; R62-L68 WeakPolarHBondContact O-CG 3.39Å; R62-D75 VanDerWaalsContact CA-OD1 3.25Å; R62-D75 WeakPolarHBondContact CA-OD1 3.37Å; R62-D75 WeakPolarHBondContact CD-OD1 3.45Å; R62-D75 WeakPolarHBondContact CD-OD2 3.28Å; R62-D75 IonicContact CZ-OD2 3.57Å; R62-D75 IonicContact NE-OD2 2.8Å; R62-D75 IonicContact NH1-OD2 2.7Å; R62-D75 PolarHBondContact NH1-OD2 2.87Å
63G92.9Very high95.2Very high0 Ų032.7 Ų32.70%016%0.163CC..  trans-87.7-23.6-176.800000115.5Y65 G66 R67 E73 A74 D75G63-Y65 PolarHBondContact O-N 2.77Å; G63-G66 WeakPolarHBondContact O-CA 3.42Å; G63-G66 PolarHBondContact O-N 3.37Å; G63-R67 PolarHBondContact O-N 3.26Å; G63-E73 CarbonylContact C-O 3.51Å; G63-E73 VanDerWaalsContact CA-O 3.3Å; G63-E73 WeakPolarHBondContact CA-O 3.31Å; G63-E73 WeakPolarHBondContact O-CA 3.37Å; G63-A74 VanDerWaalsContact CA-O 3.26Å; G63-A74 WeakPolarHBondContact CA-O 3.29Å; G63-D75 PolarHBondContact N-OD1 3.15Å
64K93.4Very high95.2Very high114 Ų11431.3 Ų31.350%0.49616%0.163SC..G310 helixtrans-45.9136.9-173.4-173.4178.6-172.8-175.90112.7R67 E73K64-R67 VanDerWaalsContact O-CZ 3.27Å; K64-R67 PolarHBondContact O-NE 3.4Å; K64-R67 PolarHBondContact O-NH2 2.79Å; K64-E73 PolarHBondContact N-O 3.39Å
65Y94.7Very high95Very high83 Ų8329 Ų2933%0.32516%0.156SC..G310 helixtrans66.218.7-172.7-43.5-58.9000114.5G63 R67 E73 W98 G113 N114G63-Y65 PolarHBondContact O-N 2.77Å; Y65-R67 PolarHBondContact O-N 3.1Å; Y65-E73 VanDerWaalsContact N-CD 3.31Å; Y65-E73 PolarHBondContact N-OE2 2.85Å; Y65-W98 HydrophobicContact CD2-CD2 4.49Å; Y65-W98 AromaticContact CD2-CE3 3.86Å; Y65-W98 HydrophobicContact CD2-CE3 3.86Å; Y65-W98 AromaticContact CE2-CE3 3.94Å; Y65-W98 HydrophobicContact CE2-CE3 3.94Å; Y65-W98 HydrophobicContact CE2-CZ3 4.28Å; Y65-G113 CarbonylContact O-C 3.34Å; Y65-G113 WeakPolarHBondContact O-CA 3.27Å; Y65-N114 HydrophobicContact CG-CB 4.29Å; Y65-N114 PolarHBondContact O-N 2.85Å
66G96.1Very high94.8Very high0 Ų029.6 Ų29.60%016%0.159CC..G310 helixtrans68.315.9175.700000115.1G63 L68 G69G63-G66 WeakPolarHBondContact O-CA 3.42Å; G63-G66 PolarHBondContact O-N 3.37Å; G66-L68 PolarHBondContact O-N 2.88Å; G66-G69 PolarHBondContact O-N 2.84Å
67R95.6Very high94.5Very high4 Ų432.5 Ų32.52%0.01518%0.179CC..THydrogen-bonded Turntrans-63-18.6-170.579-170.974.9-177.61.1114.9T45 F47 R62 G63 K64 Y65 W98 C100 W112T45-R67 PolarHBondContact O-NH1 3.35Å; F47-R67 HydrophobicContact CD1-CG 3.85Å; F47-R67 HydrophobicContact CD2-CG 4.48Å; F47-R67 HydrophobicContact CE1-CB 4.35Å; F47-R67 HydrophobicContact CE1-CG 4.04Å; F47-R67 HydrophobicContact CG-CG 4.06Å; F47-R67 HydrophobicContact CZ-CB 4.49Å; F47-R67 HydrophobicContact CZ-CG 4.45Å; R62-R67 WeakPolarHBondContact O-CD 3.3Å; R62-R67 WeakPolarHBondContact O-CG 3.2Å; R62-R67 PolarHBondContact O-NE 3.14Å; G63-R67 PolarHBondContact O-N 3.26Å; K64-R67 VanDerWaalsContact O-CZ 3.27Å; K64-R67 PolarHBondContact O-NE 3.4Å; K64-R67 PolarHBondContact O-NH2 2.79Å; Y65-R67 PolarHBondContact O-N 3.1Å; R67-W98 WeakPolarHBondContact CB-O 3.29Å; R67-C100 PolarHBondContact O-SG 2.81Å; R67-C100 VanDerWaalsContact O-SG 3.33Å; R67-W112 VanDerWaalsContact O-CD1 3.32Å; R67-W112 PolarHBondContact O-NE1 3.12Å
68L96.4Very high94Very high0 Ų039.7 Ų39.70%021%0.21CC..THydrogen-bonded Turntrans-82.2-16.3178-61-179.7000112.5F47 V59 R62 G66 T70 V76F47-L68 HydrophobicContact CB-CD2 3.58Å; F47-L68 HydrophobicContact CD2-CD2 4.12Å; F47-L68 HydrophobicContact CG-CD2 4.09Å; V59-L68 HydrophobicContact CB-CB 4.46Å; V59-L68 HydrophobicContact CB-CD2 4.24Å; V59-L68 HydrophobicContact CG2-CB 4.01Å; V59-L68 WeakPolarHBondContact CG2-O 3.45Å; R62-L68 WeakPolarHBondContact O-CG 3.39Å; G66-L68 PolarHBondContact O-N 2.88Å; L68-T70 HydrophobicContact CB-CG2 4.07Å; L68-T70 PolarHBondContact O-N 2.83Å; L68-V76 HydrophobicContact CD1-CB 3.8Å; L68-V76 HydrophobicContact CD1-CG2 3.48Å; L68-V76 VanDerWaalsContact CD1-CG2 3.48Å
69G97.2Very high93.8Very high4 Ų440.1 Ų40.14%0.04121%0.212CC..  trans71.521.3178.800000113.3G66 G71 S132 P134G66-G69 PolarHBondContact O-N 2.84Å; G69-G71 VanDerWaalsContact C-N 3.3Å; G69-G71 PolarHBondContact O-N 2.98Å; G69-S132 CarbonylContact C-O 3.55Å; G69-S132 WeakPolarHBondContact CA-O 3.25Å; G69-P134 WeakPolarHBondContact O-CD 3.43Å
70T96.5Very high93.7Very high26 Ų2644.8 Ų44.816%0.1623%0.233CC..SBendtrans-82.3-3.9-176.443.30000114.4V59 L68 D72 V76 K80 I82 S132V59-T70 HydrophobicContact CG2-CG2 4.07Å; L68-T70 HydrophobicContact CB-CG2 4.07Å; L68-T70 PolarHBondContact O-N 2.83Å; T70-D72 VanDerWaalsContact C-N 3.31Å; T70-D72 PolarHBondContact OG1-OD1 2.86Å; T70-V76 HydrophobicContact CG2-CG2 4.02Å; T70-K80 HydrophobicContact CG2-CD 4.15Å; T70-I82 HydrophobicContact CG2-CG2 3.94Å; T70-S132 PolarHBondContact N-O 3.49Å
71G95.6Very high93.8Very high39 Ų3950.8 Ų50.840%0.40226%0.255SS..SBendtrans91-11.7-170.100000113.7G69 S132 S133G69-G71 VanDerWaalsContact C-N 3.3Å; G69-G71 PolarHBondContact O-N 2.98Å; G71-S132 WeakPolarHBondContact CA-O 3.36Å; G71-S132 PolarHBondContact N-O 3.36Å; G71-S132 PolarHBondContact O-OG 2.89Å; G71-S133 WeakPolarHBondContact CA-OG 3.44Å
72D94.9Very high94Very high66 Ų6651.2 Ų51.235%0.35326%0.257SS..SBendtrans-134.1-174.1-179.657.741.7000111T70 A74T70-D72 VanDerWaalsContact C-N 3.31Å; T70-D72 PolarHBondContact OG1-OD1 2.86Å; D72-A74 PolarHBondContact OD1-N 3.32Å; D72-A74 VanDerWaalsContact OD1-N 3.07Å
73E95.3Very high94.1Very high90 Ų9056.6 Ų56.642%0.42128%0.284SS..  trans-108.818.6173.8-57.7-156.2178.400113.2G63 K64 Y65 F131G63-E73 CarbonylContact C-O 3.51Å; G63-E73 VanDerWaalsContact CA-O 3.3Å; G63-E73 WeakPolarHBondContact CA-O 3.31Å; G63-E73 WeakPolarHBondContact O-CA 3.37Å; K64-E73 PolarHBondContact N-O 3.39Å; Y65-E73 VanDerWaalsContact N-CD 3.31Å; Y65-E73 PolarHBondContact N-OE2 2.85Å; E73-F131 WeakPolarHBondContact OE1-CE2 3.3Å; E73-F131 WeakPolarHBondContact OE1-CZ 3.39Å
74A94.4Very high94.1Very high49 Ų4957.6 Ų57.641%0.40529%0.289SS..  trans-75142.9-17600000111.8G63 D72G63-A74 VanDerWaalsContact CA-O 3.26Å; G63-A74 WeakPolarHBondContact CA-O 3.29Å; D72-A74 PolarHBondContact OD1-N 3.32Å; D72-A74 VanDerWaalsContact OD1-N 3.07Å
75D92.5Very high93.8Very high57 Ų5754.6 Ų54.631%0.30529%0.29SS..  trans-65.4141.1170.4-70-10.6000109.9G61 R62 G63G61-D75 WeakPolarHBondContact O-CA 3.27Å; R62-D75 VanDerWaalsContact CA-OD1 3.25Å; R62-D75 WeakPolarHBondContact CA-OD1 3.37Å; R62-D75 WeakPolarHBondContact CD-OD1 3.45Å; R62-D75 WeakPolarHBondContact CD-OD2 3.28Å; R62-D75 IonicContact CZ-OD2 3.57Å; R62-D75 IonicContact NE-OD2 2.8Å; R62-D75 IonicContact NH1-OD2 2.7Å; R62-D75 PolarHBondContact NH1-OD2 2.87Å; G63-D75 PolarHBondContact N-OD1 3.15Å
76V92.2Very high93.4Very high14 Ų1459.6 Ų59.69%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-122.2103.2-177.7-176.30000109.5L13 C60 G61 L68 T70 K78 K80L13-V76 WeakPolarHBondContact CD2-O 3.38Å; C60-V76 CarbonylContact C-O 3.58Å; C60-V76 WeakPolarHBondContact CA-O 3.47Å; C60-V76 WeakPolarHBondContact CB-O 3.3Å; G61-V76 PolarHBondContact N-O 2.86Å; G61-V76 PolarHBondContact O-N 2.81Å; L68-V76 HydrophobicContact CD1-CB 3.8Å; L68-V76 HydrophobicContact CD1-CG2 3.48Å; L68-V76 VanDerWaalsContact CD1-CG2 3.48Å; T70-V76 HydrophobicContact CG2-CG2 4.02Å; V76-K78 WeakPolarHBondContact CG1-O 3.44Å; V76-K78 PolarHBondContact O-N 3.18Å; V76-K80 HydrophobicContact CG1-CB 3.57Å; V76-K80 HydrophobicContact CG1-CD 4.22Å
77P88.5Confident93Very high75 Ų7566 Ų6649%0.48735%0.348SS..EExtended strand (participates in β ladder)trans-75.6-20.9-171.229.5-35.7000115.2L13L13-P77 HydrophobicContact CD2-CB 4.44Å
78K88.4Confident93.1Very high152 Ų15267.5 Ų67.566%0.66136%0.357SS*.EExtended strand (participates in β ladder)trans-126.9155.2178.7-64.2-174.3179-176.20109.3V76 K80V76-K78 WeakPolarHBondContact CG1-O 3.44Å; V76-K78 PolarHBondContact O-N 3.18Å; K78-K80 PolarHBondContact O-N 2.84Å
79L92Very high93.1Very high23 Ų2371.6 Ų71.612%0.1238%0.375CS..EExtended strand (participates in β ladder)trans-54.4118.5179.3-76172.2000110.8L28 L30 V50 F58 V59 C60L28-L79 HydrophobicContact CB-CD1 3.83Å; L28-L79 HydrophobicContact CB-CG 4.48Å; L30-L79 HydrophobicContact CD1-CD1 3.68Å; L30-L79 HydrophobicContact CG-CD1 3.84Å; V50-L79 HydrophobicContact CG2-CD1 4.49Å; V50-L79 HydrophobicContact CG2-CD2 4.04Å; F58-L79 HydrophobicContact CB-CB 4.18Å; F58-L79 HydrophobicContact CB-CD2 3.99Å; F58-L79 HydrophobicContact CD1-CB 4.3Å; V59-L79 WeakPolarHBondContact O-CA 3.36Å; C60-L79 HydrophobicContact CB-CD2 4.11Å; C60-L79 HydrophobicContact CB-CG 4.5Å
80K93.8Very high93.2Very high97 Ų9771.5 Ų71.542%0.42237%0.373SS..EExtended strand (participates in β ladder)trans-115131177.8-178178.1176.1-175.80108.9F58 V59 T70 V76 K78F58-K80 CarbonylContact C-O 3.57Å; F58-K80 VanDerWaalsContact CA-O 3.31Å; F58-K80 WeakPolarHBondContact CA-O 3.43Å; V59-K80 PolarHBondContact N-O 2.94Å; V59-K80 PolarHBondContact O-N 2.9Å; T70-K80 HydrophobicContact CG2-CD 4.15Å; V76-K80 HydrophobicContact CG1-CB 3.57Å; V76-K80 HydrophobicContact CG1-CD 4.22Å; K78-K80 PolarHBondContact O-N 2.84Å
81R95.5Very high93.2Very high128 Ų12872.4 Ų72.448%0.48338%0.381SS..EExtended strand (participates in β ladder)trans-71135.3175.4-174175.4173.4-162.4-1.6110.7N56 V57 F58N56-R81 VanDerWaalsContact CG-NH2 3.34Å; N56-R81 PolarHBondContact OD1-NH2 2.98Å; V57-R81 VanDerWaalsContact O-CA 3.32Å; V57-R81 WeakPolarHBondContact O-CA 3Å; F58-R81 HydrophobicContact CD1-CB 4.01Å; F58-R81 HydrophobicContact CE1-CB 3.78Å; F58-R81 HydrophobicContact CE1-CG 4.48Å; F58-R81 HydrophobicContact CZ-CB 4.11Å; F58-R81 HydrophobicContact CZ-CG 4.33Å
82I96.7Very high93.3Very high10 Ų1072.2 Ų72.25%0.05137%0.369CS..EExtended strand (participates in β ladder)trans-112.2166.1171.263.5170.4000111V57 V59 T70 F84 W112 P134V57-I82 HydrophobicContact CB-CD1 4.4Å; V57-I82 HydrophobicContact CB-CG1 3.93Å; V57-I82 HydrophobicContact CG1-CD1 4.06Å; V57-I82 HydrophobicContact CG1-CG1 4.04Å; V57-I82 PolarHBondContact O-N 3.06Å; V59-I82 HydrophobicContact CG1-CD1 3.95Å; V59-I82 HydrophobicContact CG1-CG1 4.41Å; V59-I82 HydrophobicContact CG2-CG2 3.72Å; T70-I82 HydrophobicContact CG2-CG2 3.94Å; I82-F84 HydrophobicContact CD1-CE2 3.93Å; I82-F84 HydrophobicContact CD1-CZ 4.15Å; I82-F84 HydrophobicContact CG1-CE2 3.97Å; I82-W112 HydrophobicContact CD1-CZ2 4.07Å; I82-P134 HydrophobicContact CD1-CG 3.96Å
83Q93.1Very high93.4Very high157 Ų15769.4 Ų69.473%0.73436%0.355SS*.  trans-124.3147.2-174.7-60.8-174.84.400111.5
84F93.2Very high93.6Very high22 Ų2265.6 Ų65.610%0.09634%0.338CS..  trans-115.86.7-177.9-72.6-103.9000112.6V57 I82 V88 I90 A102 F110 W112 P134V57-F84 HydrophobicContact CB-CE2 3.77Å; V57-F84 HydrophobicContact CB-CZ 4.44Å; V57-F84 HydrophobicContact CG1-CE2 4.32Å; V57-F84 HydrophobicContact CG2-CD2 4.2Å; V57-F84 HydrophobicContact CG2-CE2 3.4Å; V57-F84 HydrophobicContact CG2-CZ 3.95Å; I82-F84 HydrophobicContact CD1-CE2 3.93Å; I82-F84 HydrophobicContact CD1-CZ 4.15Å; I82-F84 HydrophobicContact CG1-CE2 3.97Å; F84-V88 HydrophobicContact CB-CB 3.9Å; F84-V88 HydrophobicContact CB-CG1 3.66Å; F84-V88 HydrophobicContact CG-CG1 4.49Å; F84-I90 HydrophobicContact CD1-CD1 3.82Å; F84-I90 HydrophobicContact CD1-CG1 4.26Å; F84-I90 HydrophobicContact CD2-CD1 4.3Å; F84-I90 HydrophobicContact CD2-CG1 3.89Å; F84-I90 HydrophobicContact CE1-CD1 4.01Å; F84-I90 HydrophobicContact CE1-CG1 4.24Å; F84-I90 HydrophobicContact CE2-CG1 3.91Å; F84-I90 HydrophobicContact CG-CD1 3.97Å; F84-I90 HydrophobicContact CG-CG1 4.09Å; F84-I90 HydrophobicContact CZ-CD1 4.36Å; F84-I90 HydrophobicContact CZ-CG1 4.08Å; F84-A102 HydrophobicContact CE1-CB 3.63Å; F84-A102 HydrophobicContact CZ-CB 3.86Å; F84-F110 HydrophobicContact CB-CE1 4.46Å; F84-F110 HydrophobicContact CD1-CB 3.66Å; F84-F110 AromaticContact CD1-CD1 3.85Å; F84-F110 HydrophobicContact CD1-CD1 3.85Å; F84-F110 AromaticContact CD1-CD2 3.98Å; F84-F110 HydrophobicContact CD1-CD2 3.98Å; F84-F110 HydrophobicContact CD1-CE1 4.48Å; F84-F110 AromaticContact CD1-CG 3.57Å; F84-F110 HydrophobicContact CD1-CG 3.57Å; F84-F110 HydrophobicContact CE1-CB 3.69Å; F84-F110 HydrophobicContact CE1-CG 4.11Å; F84-W112 HydrophobicContact CE1-CE3 4.2Å; F84-W112 HydrophobicContact CE1-CH2 4.11Å; F84-W112 AromaticContact CE1-CZ3 3.56Å; F84-W112 HydrophobicContact CE1-CZ3 3.56Å; F84-W112 HydrophobicContact CZ-CE3 4.4Å; F84-W112 AromaticContact CZ-CH2 3.67Å; F84-W112 HydrophobicContact CZ-CH2 3.67Å; F84-W112 HydrophobicContact CZ-CZ2 4.49Å; F84-W112 AromaticContact CZ-CZ3 3.61Å; F84-W112 HydrophobicContact CZ-CZ3 3.61Å; F84-P134 HydrophobicContact CD1-CB 3.41Å; F84-P134 VanDerWaalsContact CD1-CB 3.41Å; F84-P134 HydrophobicContact CD1-CG 4.11Å; F84-P134 HydrophobicContact CD2-CG 4.41Å; F84-P134 HydrophobicContact CE1-CB 3.38Å; F84-P134 HydrophobicContact CE1-CG 3.84Å; F84-P134 HydrophobicContact CE2-CB 4.45Å; F84-P134 HydrophobicContact CE2-CG 4.12Å; F84-P134 HydrophobicContact CG-CB 4.01Å; F84-P134 HydrophobicContact CG-CG 4.39Å; F84-P134 HydrophobicContact CZ-CB 3.93Å; F84-P134 HydrophobicContact CZ-CG 3.84Å
85G86.1Confident93.7Very high51 Ų5163.2 Ų63.253%0.52632%0.319SS..SBendtrans109.7171.7-167.600000112.5D87G85-D87 PolarHBondContact O-N 2.88Å
86K87.3Confident93.8Very high187 Ų18760.5 Ų60.581%0.81330%0.304SS*.THydrogen-bonded Turntrans-65132.6-177.6-163.8-174.8171.8179.80110.3V88K86-V88 PolarHBondContact O-N 2.83Å
87D87.9Confident93.9Very high135 Ų13560 Ų6072%0.72230%0.301SS*.THydrogen-bonded Turntrans60.212.1175.4-52.8-41.5000116.3G85 K89G85-D87 PolarHBondContact O-N 2.88Å; D87-K89 PolarHBondContact O-N 2.95Å
88V96.6Very high94.2Very high36 Ų3659.3 Ų59.322%0.21829%0.289CS..  trans-79.5121.4173.1-179.70000109.9F84 K86 I90 F110F84-V88 HydrophobicContact CB-CB 3.9Å; F84-V88 HydrophobicContact CB-CG1 3.66Å; F84-V88 HydrophobicContact CG-CG1 4.49Å; K86-V88 PolarHBondContact O-N 2.83Å; V88-I90 HydrophobicContact CG1-CD1 3.92Å; V88-F110 HydrophobicContact CG1-CE2 3.78Å; V88-F110 HydrophobicContact CG1-CZ 3.77Å; V88-F110 HydrophobicContact CG2-CZ 4.18Å
89K97.6Very high94.6Very high86 Ų8652.1 Ų52.137%0.37426%0.258SS..  trans-114.5126.3176.5-60.6-52.3-165.1175.50110.3K54 N56 D87 S104 F105K54-K89 WeakPolarHBondContact O-CD 3.3Å; N56-K89 PolarHBondContact OD1-NZ 3.23Å; D87-K89 PolarHBondContact O-N 2.95Å; K89-S104 CarbonylContact O-C 3.59Å; K89-S104 WeakPolarHBondContact O-CA 3.44Å; K89-S104 VanDerWaalsContact O-CB 3.29Å; K89-S104 WeakPolarHBondContact O-CB 3.3Å; K89-F105 HydrophobicContact CB-CD2 3.53Å; K89-F105 HydrophobicContact CB-CE2 3.98Å; K89-F105 WeakPolarHBondContact O-CD2 3.43Å; K89-F105 PolarHBondContact O-N 3.49Å
90I98.3Very high94.9Very high1 Ų151.1 Ų51.11%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-91.3137.2-176.3-59.5-52.5000110.6V51 G55 V57 F84 V88 E92 V93 A102 V103 F105 F110V51-I90 HydrophobicContact CG1-CB 4.35Å; V51-I90 HydrophobicContact CG1-CG2 4.17Å; V51-I90 VanDerWaalsContact CG1-O 3.29Å; V51-I90 WeakPolarHBondContact CG1-O 3.46Å; V51-I90 HydrophobicContact CG2-CG2 3.81Å; G55-I90 WeakPolarHBondContact CA-O 3.41Å; G55-I90 PolarHBondContact O-N 3.12Å; V57-I90 HydrophobicContact CG2-CB 3.63Å; V57-I90 HydrophobicContact CG2-CG1 3.56Å; V57-I90 HydrophobicContact CG2-CG2 3.86Å; F84-I90 HydrophobicContact CD1-CD1 3.82Å; F84-I90 HydrophobicContact CD1-CG1 4.26Å; F84-I90 HydrophobicContact CD2-CD1 4.3Å; F84-I90 HydrophobicContact CD2-CG1 3.89Å; F84-I90 HydrophobicContact CE1-CD1 4.01Å; F84-I90 HydrophobicContact CE1-CG1 4.24Å; F84-I90 HydrophobicContact CE2-CG1 3.91Å; F84-I90 HydrophobicContact CG-CD1 3.97Å; F84-I90 HydrophobicContact CG-CG1 4.09Å; F84-I90 HydrophobicContact CZ-CD1 4.36Å; F84-I90 HydrophobicContact CZ-CG1 4.08Å; V88-I90 HydrophobicContact CG1-CD1 3.92Å; I90-E92 WeakPolarHBondContact CG2-O 3.49Å; I90-V93 HydrophobicContact CG2-CG1 4.03Å; I90-A102 HydrophobicContact CD1-CB 4.12Å; I90-A102 HydrophobicContact CG1-CB 4.43Å; I90-A102 HydrophobicContact CG2-CB 3.86Å; I90-V103 WeakPolarHBondContact CG2-O 3.47Å; I90-F105 VanDerWaalsContact O-CE2 3.27Å; I90-F105 WeakPolarHBondContact O-CE2 3.32Å; I90-F110 HydrophobicContact CD1-CD2 4.29Å
91S97.6Very high95.1Very high45 Ų4546.5 Ų46.532%0.31523%0.232SC..EExtended strand (participates in β ladder)trans-104.8-27.8176.256.30000113.1V103 S104S91-V103 PolarHBondContact N-O 3.35Å; S91-V103 PolarHBondContact OG-O 3.02Å; S91-V103 VanDerWaalsContact OG-O 3.12Å; S91-S104 PolarHBondContact OG-O 3.43Å
92E97.2Very high95.3Very high35 Ų3540.4 Ų40.416%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-151.9149.1-173.1-174.2-130.317900110.2I90 A102 V103 Q147 V148I90-E92 WeakPolarHBondContact CG2-O 3.49Å; E92-A102 CarbonylContact O-C 3.57Å; E92-A102 VanDerWaalsContact O-CA 3.28Å; E92-A102 WeakPolarHBondContact O-CA 3.28Å; E92-V103 HydrophobicContact CB-CB 4.37Å; E92-V103 PolarHBondContact N-O 2.79Å; E92-V103 PolarHBondContact O-N 3.31Å; E92-V103 VanDerWaalsContact OE2-CG2 3.23Å; E92-V103 WeakPolarHBondContact OE2-CG2 3.33Å; E92-Q147 WeakPolarHBondContact OE1-CG 3.18Å; E92-Q147 WeakPolarHBondContact OE2-CA 3.31Å; E92-V148 PolarHBondContact OE1-N 2.6Å; E92-V148 PolarHBondContact OE2-N 3.35Å
93V98Very high95.3Very high7 Ų740 Ų404%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-135.1149.2176.7-76.70000110.5V49 V51 V57 I90 C101 A102V49-V93 HydrophobicContact CB-CG2 4.29Å; V49-V93 HydrophobicContact CG1-CB 3.91Å; V49-V93 HydrophobicContact CG1-CG1 3.78Å; V49-V93 HydrophobicContact CG1-CG2 3.89Å; V51-V93 HydrophobicContact CG2-CB 3.95Å; V51-V93 HydrophobicContact CG2-CG1 3.28Å; V51-V93 HydrophobicContact CG2-CG2 3.5Å; V57-V93 HydrophobicContact CG1-CG1 4.3Å; I90-V93 HydrophobicContact CG2-CG1 4.03Å; V93-C101 CarbonylContact C-O 3.47Å; V93-C101 WeakPolarHBondContact CA-O 3.48Å; V93-A102 HydrophobicContact CG1-CB 3.91Å
94S98.1Very high95.6Very high10 Ų1032.8 Ų32.87%0.0717%0.174CC..EExtended strand (participates in β ladder)trans-135.7123.6170.4-166.60000110.4S42 C100 C101 V148 S149 C150S42-S94 WeakPolarHBondContact OG-CA 3.34Å; S94-C100 CarbonylContact O-C 3.44Å; S94-C100 VanDerWaalsContact O-CA 3.31Å; S94-C100 WeakPolarHBondContact O-CA 3.31Å; S94-C101 PolarHBondContact N-O 2.87Å; S94-C101 PolarHBondContact O-N 3.49Å; S94-V148 VanDerWaalsContact CB-O 3.22Å; S94-V148 WeakPolarHBondContact CB-O 3.1Å; S94-V148 PolarHBondContact OG-O 3.32Å; S94-S149 WeakPolarHBondContact OG-CA 3.49Å; S94-C150 PolarHBondContact O-SG 3.1Å; S94-C150 PolarHBondContact OG-N 2.81Å
95A96.7Very high95.7Very high0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-100.6118.2176.600000109.6S42 F47 V49 K257S42-A95 PolarHBondContact OG-N 2.79Å; F47-A95 HydrophobicContact CE2-CB 3.58Å; F47-A95 HydrophobicContact CZ-CB 3.67Å; V49-A95 HydrophobicContact CG2-CB 4.27Å; A95-K257 PolarHBondContact O-NZ 3.03Å
96G95.4Very high96.3Very high0 Ų040.8 Ų40.80%020%0.2CC..  trans-83-157.8172.600000111.5G44 H99 C150 G151G44-G96 WeakPolarHBondContact CA-O 3.26Å; G96-H99 WeakPolarHBondContact CA-O 3.36Å; G96-H99 PolarHBondContact N-O 3.13Å; G96-C150 VanDerWaalsContact CA-CB 3.45Å; G96-C150 VanDerWaalsContact CA-O 3.32Å; G96-C150 WeakPolarHBondContact CA-O 3.38Å; G96-G151 WeakPolarHBondContact CA-O 3.31Å
97S94.2Very high96.8Very high2 Ų232 Ų321%0.01416%0.163CC..SBendtrans-70.2-41.9173.5-610000111.8T45 G151 H152T45-S97 VanDerWaalsContact CB-O 3.22Å; T45-S97 WeakPolarHBondContact CB-O 3.49Å; T45-S97 WeakPolarHBondContact OG1-CA 3.29Å; T45-S97 PolarHBondContact OG1-O 2.79Å; S97-G151 PolarHBondContact N-O 3.16Å; S97-G151 VanDerWaalsContact N-O 3.11Å; S97-H152 VanDerWaalsContact CB-CD2 3.48Å; S97-H152 WeakPolarHBondContact CB-CD2 3.46Å; S97-H152 WeakPolarHBondContact OG-CA 3.34Å; S97-H152 PolarHBondContact OG-CD2 2.9Å
98W94.3Very high97.2Very high62 Ų6231.5 Ų31.524%0.23515%0.15CC..SBendtrans-139.32-171.8-49.1100.1000114.1T45 Y65 R67 N114 H152T45-W98 HydrophobicContact CG2-CH2 4.06Å; T45-W98 HydrophobicContact CG2-CZ2 4.13Å; Y65-W98 HydrophobicContact CD2-CD2 4.49Å; Y65-W98 AromaticContact CD2-CE3 3.86Å; Y65-W98 HydrophobicContact CD2-CE3 3.86Å; Y65-W98 AromaticContact CE2-CE3 3.94Å; Y65-W98 HydrophobicContact CE2-CE3 3.94Å; Y65-W98 HydrophobicContact CE2-CZ3 4.28Å; R67-W98 WeakPolarHBondContact CB-O 3.29Å; W98-N114 HydrophobicContact CB-CB 3.59Å; W98-N114 WeakPolarHBondContact O-CB 3.47Å; W98-N114 PolarHBondContact O-N 3.07Å; W98-H152 AromaticContact CD1-NE2 3.87Å; W98-H152 AromaticContact NE1-CD2 3.99Å; W98-H152 AromaticContact NE1-CE1 3.85Å; W98-H152 AromaticContact NE1-NE2 3.31Å; W98-H152 PolarHBondContact NE1-NE2 3.16Å
99H97.1Very high97.3Very high1 Ų129.8 Ų29.81%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-138.9167.7179.173.5-67.6000110.9G96 W112 V120 L121 G151 F154 T155G96-H99 WeakPolarHBondContact CA-O 3.36Å; G96-H99 PolarHBondContact N-O 3.13Å; H99-W112 CarbonylContact C-O 3.1Å; H99-W112 WeakPolarHBondContact CA-O 3.24Å; H99-W112 WeakPolarHBondContact CB-O 3.05Å; H99-V120 HydrophobicContact CB-CG1 4.23Å; H99-L121 HydrophobicContact CB-CD2 4.03Å; H99-G151 PolarHBondContact CE1-O 2.87Å; H99-F154 PolarHBondContact CE1-O 2.82Å; H99-F154 PolarHBondContact NE2-O 2.89Å; H99-T155 PolarHBondContact NE2-OG1 2.97Å
100C98.2Very high97.4Very high1 Ų126.3 Ų26.31%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-133.5155.3178.8-62.90000111F47 R67 S94 S111 W112F47-C100 WeakPolarHBondContact CE2-SG 3.27Å; F47-C100 VanDerWaalsContact CZ-SG 3.54Å; R67-C100 PolarHBondContact O-SG 2.81Å; R67-C100 VanDerWaalsContact O-SG 3.33Å; S94-C100 CarbonylContact O-C 3.44Å; S94-C100 VanDerWaalsContact O-CA 3.31Å; S94-C100 WeakPolarHBondContact O-CA 3.31Å; C100-S111 WeakPolarHBondContact O-CA 3.27Å; C100-W112 HydrophobicContact CB-CD2 3.73Å; C100-W112 HydrophobicContact CB-CE3 4.13Å; C100-W112 HydrophobicContact CB-CG 4.34Å; C100-W112 HydrophobicContact CB-CH2 3.66Å; C100-W112 HydrophobicContact CB-CZ2 3.23Å; C100-W112 HydrophobicContact CB-CZ3 4.08Å; C100-W112 PolarHBondContact N-O 3.06Å; C100-W112 PolarHBondContact O-N 3.27Å; C100-W112 VanDerWaalsContact O-N 3.12Å
101C98.5Very high97.4Very high0 Ų026.3 Ų26.30%013%0.125CC..EExtended strand (participates in β ladder)trans-131.4154.4163.5-72.40000109.9V93 S94 F110 V148 C150 T155V93-C101 CarbonylContact C-O 3.47Å; V93-C101 WeakPolarHBondContact CA-O 3.48Å; S94-C101 PolarHBondContact N-O 2.87Å; S94-C101 PolarHBondContact O-N 3.49Å; C101-F110 CarbonylContact C-O 3.51Å; C101-F110 WeakPolarHBondContact CA-O 3.34Å; C101-V148 HydrophobicContact CB-CB 4.03Å; C101-V148 HydrophobicContact CB-CG1 4.29Å; C101-V148 HydrophobicContact CB-CG2 3.8Å; C101-C150 VanDerWaalsContact CB-SG 3.57Å; C101-C150 PolarHBondContact N-SG 2.89Å; C101-T155 HydrophobicContact CB-CG2 4.46Å
102A98.6Very high97.4Very high0 Ų024.1 Ų24.10%011%0.11CC..EExtended strand (participates in β ladder)trans-136.5149174.100000110.1F84 I90 E92 V93 V109 F110 W112F84-A102 HydrophobicContact CE1-CB 3.63Å; F84-A102 HydrophobicContact CZ-CB 3.86Å; I90-A102 HydrophobicContact CD1-CB 4.12Å; I90-A102 HydrophobicContact CG1-CB 4.43Å; I90-A102 HydrophobicContact CG2-CB 3.86Å; E92-A102 CarbonylContact O-C 3.57Å; E92-A102 VanDerWaalsContact O-CA 3.28Å; E92-A102 WeakPolarHBondContact O-CA 3.28Å; V93-A102 HydrophobicContact CG1-CB 3.91Å; A102-V109 CarbonylContact O-C 3.58Å; A102-V109 WeakPolarHBondContact O-CA 3.43Å; A102-F110 PolarHBondContact N-O 2.85Å; A102-F110 PolarHBondContact O-N 3.44Å; A102-W112 HydrophobicContact CB-CH2 3.95Å; A102-W112 HydrophobicContact CB-CZ3 3.75Å
103V98.5Very high97.5Very high1 Ų122.5 Ų22.51%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-114.6130.1174.1-176.90000108.3I90 S91 E92 R108 V109 V145 V148I90-V103 WeakPolarHBondContact CG2-O 3.47Å; S91-V103 PolarHBondContact N-O 3.35Å; S91-V103 PolarHBondContact OG-O 3.02Å; S91-V103 VanDerWaalsContact OG-O 3.12Å; E92-V103 HydrophobicContact CB-CB 4.37Å; E92-V103 PolarHBondContact N-O 2.79Å; E92-V103 PolarHBondContact O-N 3.31Å; E92-V103 VanDerWaalsContact OE2-CG2 3.23Å; E92-V103 WeakPolarHBondContact OE2-CG2 3.33Å; V103-R108 WeakPolarHBondContact CA-O 3.31Å; V103-V109 HydrophobicContact CG2-CG2 4.45Å; V103-V145 HydrophobicContact CG1-CB 4.4Å; V103-V145 HydrophobicContact CG1-CG1 4.39Å; V103-V145 VanDerWaalsContact CG1-O 3.28Å; V103-V145 WeakPolarHBondContact CG1-O 3.45Å; V103-V145 HydrophobicContact CG2-CG1 3.87Å; V103-V148 HydrophobicContact CG2-CB 4.25Å; V103-V148 HydrophobicContact CG2-CG1 3.55Å; V103-V148 HydrophobicContact CG2-CG2 3.84Å
104S98.2Very high97.4Very high6 Ų623.7 Ų23.74%0.04211%0.108CC..EExtended strand (participates in β ladder)trans-77.5163.8173.477.30000112.3K89 S91 L106 G107 R108K89-S104 CarbonylContact O-C 3.59Å; K89-S104 WeakPolarHBondContact O-CA 3.44Å; K89-S104 VanDerWaalsContact O-CB 3.29Å; K89-S104 WeakPolarHBondContact O-CB 3.3Å; S91-S104 PolarHBondContact OG-O 3.43Å; S104-L106 PolarHBondContact O-N 3.07Å; S104-L106 PolarHBondContact OG-N 2.83Å; S104-G107 WeakPolarHBondContact O-CA 3.28Å; S104-G107 PolarHBondContact O-N 3.37Å; S104-R108 PolarHBondContact N-O 2.94Å; S104-R108 WeakPolarHBondContact OG-CB 3.42Å; S104-R108 PolarHBondContact OG-N 2.92Å; S104-R108 VanDerWaalsContact OG-N 3.09Å
105F96.5Very high97.3Very high115 Ų11524.7 Ų24.750%0.50411%0.113SC..THydrogen-bonded Turntrans-58.9-19.4171.1-75.6-76.6000113.6K89 I90 G107K89-F105 HydrophobicContact CB-CD2 3.53Å; K89-F105 HydrophobicContact CB-CE2 3.98Å; K89-F105 WeakPolarHBondContact O-CD2 3.43Å; K89-F105 PolarHBondContact O-N 3.49Å; I90-F105 VanDerWaalsContact O-CE2 3.27Å; I90-F105 WeakPolarHBondContact O-CE2 3.32Å; F105-G107 VanDerWaalsContact C-N 3.32Å
106L96.8Very high97.3Very high127 Ų12728.2 Ų28.267%0.66513%0.129SC*.THydrogen-bonded Turntrans-89.85174-58.8179.6000112.9S104 R108S104-L106 PolarHBondContact O-N 3.07Å; S104-L106 PolarHBondContact OG-N 2.83Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.3Å
107G97.7Very high97.2Very high3 Ų335.4 Ų35.43%0.03116%0.16CC..  trans74.616.7-179.800000115S104 F105 V145S104-G107 WeakPolarHBondContact O-CA 3.28Å; S104-G107 PolarHBondContact O-N 3.37Å; F105-G107 VanDerWaalsContact C-N 3.32Å; G107-V145 WeakPolarHBondContact CA-O 3.34Å; G107-V145 WeakPolarHBondContact O-CB 3.18Å; G107-V145 PolarHBondContact O-N 2.85Å
108R98.2Very high97.3Very high123 Ų12337.3 Ų37.346%0.46418%0.18SC..  trans-82.2137175.4-60.8-178.5-178.9170.3-0.2110.1V103 S104 L106 F110 L136V103-R108 WeakPolarHBondContact CA-O 3.31Å; S104-R108 PolarHBondContact N-O 2.94Å; S104-R108 WeakPolarHBondContact OG-CB 3.42Å; S104-R108 PolarHBondContact OG-N 2.92Å; S104-R108 VanDerWaalsContact OG-N 3.09Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.3Å; R108-F110 HydrophobicContact CB-CE2 3.99Å; R108-L136 HydrophobicContact CB-CD1 4.08Å
109V98.6Very high97.4Very high1 Ų134.6 Ų34.61%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-97.5133.3-179.2-177.40000111.1A102 V103 V137 L140 V145 V148A102-V109 CarbonylContact O-C 3.58Å; A102-V109 WeakPolarHBondContact O-CA 3.43Å; V103-V109 HydrophobicContact CG2-CG2 4.45Å; V109-V137 HydrophobicContact CB-CB 4.22Å; V109-V137 HydrophobicContact CB-CG2 4.43Å; V109-V137 HydrophobicContact CG1-CB 4.26Å; V109-V137 HydrophobicContact CG1-CG2 3.97Å; V109-V137 PolarHBondContact O-N 3.11Å; V109-L140 HydrophobicContact CB-CD1 4.23Å; V109-L140 HydrophobicContact CG2-CD1 3.97Å; V109-V145 HydrophobicContact CG2-CB 3.59Å; V109-V145 HydrophobicContact CG2-CG1 3.68Å; V109-V145 HydrophobicContact CG2-CG2 3.56Å; V109-V148 HydrophobicContact CG1-CG1 4.13Å; V109-V148 HydrophobicContact CG2-CG1 4.33Å
110F98.5Very high97.4Very high13 Ų1334.6 Ų34.66%0.05717%0.17CC..EExtended strand (participates in β ladder)trans-121.1146.5172.6-63-100.5000110F84 V88 I90 C101 A102 R108 G135 L136F84-F110 HydrophobicContact CB-CE1 4.46Å; F84-F110 HydrophobicContact CD1-CB 3.66Å; F84-F110 AromaticContact CD1-CD1 3.85Å; F84-F110 HydrophobicContact CD1-CD1 3.85Å; F84-F110 AromaticContact CD1-CD2 3.98Å; F84-F110 HydrophobicContact CD1-CD2 3.98Å; F84-F110 HydrophobicContact CD1-CE1 4.48Å; F84-F110 AromaticContact CD1-CG 3.57Å; F84-F110 HydrophobicContact CD1-CG 3.57Å; F84-F110 HydrophobicContact CE1-CB 3.69Å; F84-F110 HydrophobicContact CE1-CG 4.11Å; V88-F110 HydrophobicContact CG1-CE2 3.78Å; V88-F110 HydrophobicContact CG1-CZ 3.77Å; V88-F110 HydrophobicContact CG2-CZ 4.18Å; I90-F110 HydrophobicContact CD1-CD2 4.29Å; C101-F110 CarbonylContact C-O 3.51Å; C101-F110 WeakPolarHBondContact CA-O 3.34Å; A102-F110 PolarHBondContact N-O 2.85Å; A102-F110 PolarHBondContact O-N 3.44Å; R108-F110 HydrophobicContact CB-CE2 3.99Å; F110-G135 CarbonylContact C-O 3.55Å; F110-G135 WeakPolarHBondContact CA-O 3.33Å; F110-L136 HydrophobicContact CD1-CB 4.28Å; F110-L136 HydrophobicContact CE1-CB 4.12Å; F110-L136 HydrophobicContact CE1-CD1 4.16Å; F110-L136 HydrophobicContact CE2-CD1 4.38Å; F110-L136 HydrophobicContact CZ-CD1 4.07Å
111S98.5Very high97.4Very high0 Ų034.5 Ų34.50%017%0.17CC..EExtended strand (participates in β ladder)trans-138.8149.1-179.8650000112.3C100 L121 R123 G135 V137C100-S111 WeakPolarHBondContact O-CA 3.27Å; S111-L121 WeakPolarHBondContact CB-O 3.42Å; S111-L121 PolarHBondContact OG-O 3.14Å; S111-R123 PolarHBondContact O-NE 2.88Å; S111-R123 PolarHBondContact O-NH2 2.94Å; S111-R123 WeakPolarHBondContact OG-CD 3.46Å; S111-R123 PolarHBondContact OG-NE 3.12Å; S111-G135 PolarHBondContact N-O 3.21Å; S111-G135 PolarHBondContact O-N 3.04Å; S111-V137 WeakPolarHBondContact OG-CG2 3.41Å
112W98.4Very high97.4Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-158.7169.4176.466.794.8000111.7R67 I82 F84 H99 C100 A102 L121 F131 S133 P134R67-W112 VanDerWaalsContact O-CD1 3.32Å; R67-W112 PolarHBondContact O-NE1 3.12Å; I82-W112 HydrophobicContact CD1-CZ2 4.07Å; F84-W112 HydrophobicContact CE1-CE3 4.2Å; F84-W112 HydrophobicContact CE1-CH2 4.11Å; F84-W112 AromaticContact CE1-CZ3 3.56Å; F84-W112 HydrophobicContact CE1-CZ3 3.56Å; F84-W112 HydrophobicContact CZ-CE3 4.4Å; F84-W112 AromaticContact CZ-CH2 3.67Å; F84-W112 HydrophobicContact CZ-CH2 3.67Å; F84-W112 HydrophobicContact CZ-CZ2 4.49Å; F84-W112 AromaticContact CZ-CZ3 3.61Å; F84-W112 HydrophobicContact CZ-CZ3 3.61Å; H99-W112 CarbonylContact C-O 3.1Å; H99-W112 WeakPolarHBondContact CA-O 3.24Å; H99-W112 WeakPolarHBondContact CB-O 3.05Å; C100-W112 HydrophobicContact CB-CD2 3.73Å; C100-W112 HydrophobicContact CB-CE3 4.13Å; C100-W112 HydrophobicContact CB-CG 4.34Å; C100-W112 HydrophobicContact CB-CH2 3.66Å; C100-W112 HydrophobicContact CB-CZ2 3.23Å; C100-W112 HydrophobicContact CB-CZ3 4.08Å; C100-W112 PolarHBondContact N-O 3.06Å; C100-W112 PolarHBondContact O-N 3.27Å; C100-W112 VanDerWaalsContact O-N 3.12Å; A102-W112 HydrophobicContact CB-CH2 3.95Å; A102-W112 HydrophobicContact CB-CZ3 3.75Å; W112-L121 WeakPolarHBondContact O-CD2 3.29Å; W112-F131 WeakPolarHBondContact CB-O 3.3Å; W112-S133 WeakPolarHBondContact CB-O 3.46Å; W112-P134 HydrophobicContact CD2-CB 4.33Å; W112-P134 HydrophobicContact CD2-CG 4.04Å; W112-P134 HydrophobicContact CE3-CB 3.84Å; W112-P134 HydrophobicContact CE3-CG 3.97Å; W112-P134 HydrophobicContact CG-CG 4.44Å; W112-P134 HydrophobicContact CZ3-CB 4.37Å; W112-P134 HydrophobicContact CZ3-CG 4.47Å
113G98Very high97.4Very high0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans101.3-152.8-179.300000113.5Y65 N115 F131Y65-G113 CarbonylContact O-C 3.34Å; Y65-G113 WeakPolarHBondContact O-CA 3.27Å; G113-N115 PolarHBondContact O-N 3.37Å; G113-N115 VanDerWaalsContact O-N 3.16Å; G113-F131 PolarHBondContact N-O 3.04Å; G113-F131 WeakPolarHBondContact O-CB 3.43Å
114N96.7Very high97.2Very high32 Ų3240 Ų4017%0.17120%0.204CC..  trans-62.8117.5-173.4-175.75.8000111.8Y65 W98 F116Y65-N114 HydrophobicContact CG-CB 4.29Å; Y65-N114 PolarHBondContact O-N 2.85Å; W98-N114 HydrophobicContact CB-CB 3.59Å; W98-N114 WeakPolarHBondContact O-CB 3.47Å; W98-N114 PolarHBondContact O-N 3.07Å; N114-F116 PolarHBondContact O-N 2.99Å; N114-F116 PolarHBondContact OD1-N 3.43Å
115N96.6Very high96.8Very high32 Ų3241.9 Ų41.917%0.17122%0.217CC..  trans-98.157.6176.4-160.919.6000112.1G113 K117 G118 C119 V120 L121G113-N115 PolarHBondContact O-N 3.37Å; G113-N115 VanDerWaalsContact O-N 3.16Å; N115-K117 PolarHBondContact O-N 3.05Å; N115-G118 WeakPolarHBondContact O-CA 3.24Å; N115-G118 PolarHBondContact O-N 3.33Å; N115-C119 PolarHBondContact OD1-N 3.26Å; N115-V120 PolarHBondContact OD1-N 3.37Å; N115-V120 VanDerWaalsContact OD1-N 3.09Å; N115-L121 HydrophobicContact CB-CD1 3.82Å; N115-L121 HydrophobicContact CB-CG 3.82Å; N115-L121 PolarHBondContact OD1-N 2.81Å; N115-L121 VanDerWaalsContact OD1-N 3.13Å
116F95.5Very high96.6Very high74 Ų7440.2 Ų40.233%0.32521%0.213SC..G310 helixtrans-52.1130-178.4-179.4-106.5000111.7N114 G118 C119 V120 N153 F169N114-F116 PolarHBondContact O-N 2.99Å; N114-F116 PolarHBondContact OD1-N 3.43Å; F116-G118 PolarHBondContact O-N 2.85Å; F116-C119 PolarHBondContact O-N 3.11Å; F116-C119 PolarHBondContact O-SG 3.09Å; F116-V120 HydrophobicContact CB-CG2 3.88Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-N153 HydrophobicContact CD1-CB 4.34Å; F116-F169 HydrophobicContact CD1-CB 4.45Å; F116-F169 HydrophobicContact CD1-CD2 4.35Å; F116-F169 HydrophobicContact CD1-CG 4.31Å; F116-F169 HydrophobicContact CE1-CD1 4.35Å; F116-F169 AromaticContact CE1-CD2 3.91Å; F116-F169 HydrophobicContact CE1-CD2 3.91Å; F116-F169 HydrophobicContact CE1-CE1 4.45Å; F116-F169 HydrophobicContact CE1-CE2 4.07Å; F116-F169 HydrophobicContact CE1-CG 4.08Å; F116-F169 HydrophobicContact CE1-CZ 4.34Å
117K93.9Very high96.1Very high151 Ų15139.5 Ų39.566%0.65722%0.219SC*.G310 helixtrans5518.8-175.2-62.1-72.7-175.3178.40114.5N115 C119 F169N115-K117 PolarHBondContact O-N 3.05Å; K117-C119 PolarHBondContact O-N 3.35Å; K117-F169 HydrophobicContact CG-CD2 4.46Å
118G95.3Very high95.4Very high42 Ų4247.3 Ų47.343%0.43326%0.255SS..G310 helixtrans68.115.1179.400000114.8N115 F116N115-G118 WeakPolarHBondContact O-CA 3.24Å; N115-G118 PolarHBondContact O-N 3.33Å; F116-G118 PolarHBondContact O-N 2.85Å
119C97Very high95Very high5 Ų545.1 Ų45.13%0.03425%0.252CS..THydrogen-bonded Turntrans-120.7-19.8-168.864.40000115.3N115 F116 K117 L121 G168 N182N115-C119 PolarHBondContact OD1-N 3.26Å; F116-C119 PolarHBondContact O-N 3.11Å; F116-C119 PolarHBondContact O-SG 3.09Å; K117-C119 PolarHBondContact O-N 3.35Å; C119-L121 PolarHBondContact O-N 2.86Å; C119-G168 WeakPolarHBondContact O-CA 3.34Å; C119-N182 HydrophobicContact CB-CB 4.48Å
120V98Very high94.8Very high0 Ų046.8 Ų46.80%026%0.264CS..THydrogen-bonded Turntrans-70.2-32.9-170.3-174.90000112.7H99 N115 F116 N153 W167H99-V120 HydrophobicContact CB-CG1 4.23Å; N115-V120 PolarHBondContact OD1-N 3.37Å; N115-V120 VanDerWaalsContact OD1-N 3.09Å; F116-V120 HydrophobicContact CB-CG2 3.88Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; V120-N153 HydrophobicContact CG2-CB 4.21Å; V120-N153 WeakPolarHBondContact CG2-O 3.27Å; V120-W167 VanDerWaalsContact O-CD1 3.27Å; V120-W167 PolarHBondContact O-NE1 3Å
121L98.4Very high94.7Very high0 Ų049.7 Ų49.70%028%0.276CS..THydrogen-bonded Turntrans-81.9-13.5-175.4-61.4-171.2000113.7H99 S111 W112 N115 C119 R123 F131H99-L121 HydrophobicContact CB-CD2 4.03Å; S111-L121 WeakPolarHBondContact CB-O 3.42Å; S111-L121 PolarHBondContact OG-O 3.14Å; W112-L121 WeakPolarHBondContact O-CD2 3.29Å; N115-L121 HydrophobicContact CB-CD1 3.82Å; N115-L121 HydrophobicContact CB-CG 3.82Å; N115-L121 PolarHBondContact OD1-N 2.81Å; N115-L121 VanDerWaalsContact OD1-N 3.13Å; C119-L121 PolarHBondContact O-N 2.86Å; L121-R123 HydrophobicContact CB-CG 4.08Å; L121-R123 PolarHBondContact O-N 2.79Å; L121-F131 HydrophobicContact CD1-CB 3.8Å
122G98.2Very high94.6Very high2 Ų250.1 Ų50.12%0.02128%0.279CS..SBendtrans70.78178.100000114.5W167 S184G122-W167 VanDerWaalsContact N-CD1 3.33Å; G122-S184 CarbonylContact C-O 3.42Å; G122-S184 VanDerWaalsContact C-O 3.24Å; G122-S184 WeakPolarHBondContact CA-O 3.17Å
123R97.4Very high94.5Very high13 Ų1352.2 Ų52.25%0.04929%0.294CS..SBendtrans-143.7153.6-175.366.9174.8-176.984.4-8.2110.4S111 L121 C125 N129 S130 S133 G135 L136S111-R123 PolarHBondContact O-NE 2.88Å; S111-R123 PolarHBondContact O-NH2 2.94Å; S111-R123 WeakPolarHBondContact OG-CD 3.46Å; S111-R123 PolarHBondContact OG-NE 3.12Å; L121-R123 HydrophobicContact CB-CG 4.08Å; L121-R123 PolarHBondContact O-N 2.79Å; R123-C125 PolarHBondContact NH1-SG 3.42Å; R123-N129 PolarHBondContact NH1-O 2.93Å; R123-S130 PolarHBondContact NH2-O 2.95Å; R123-S133 PolarHBondContact NH2-O 2.89Å; R123-G135 WeakPolarHBondContact CD-O 3.31Å; R123-G135 PolarHBondContact NE-O 2.89Å; R123-L136 WeakPolarHBondContact CD-O 3.46Å
124P94.2Very high94.5Very high102 Ų10253.1 Ų53.166%0.66230%0.3SS*.  trans-60.6147.5169.127.3-34.2000110.6
125C91.5Very high94.5Very high44 Ų4452 Ų5230%0.29730%0.296SS..  trans-131.6119.4174-61.90000108.1R123 N129R123-C125 PolarHBondContact NH1-SG 3.42Å; C125-N129 WeakPolarHBondContact CA-O 3.34Å
126D91.4Very high94.5Very high80 Ų8053.9 Ų53.943%0.42831%0.306SS..  trans-137.3-168.9179.654.937.3000109E128 N129 S130D126-E128 VanDerWaalsContact C-N 3.25Å; D126-E128 PolarHBondContact O-N 3.39Å; D126-E128 PolarHBondContact OD1-N 3.12Å; D126-N129 CarbonylContact O-C 3.16Å; D126-N129 PolarHBondContact O-N 3.36Å; D126-N129 WeakPolarHBondContact OD1-CB 3.49Å; D126-N129 PolarHBondContact OD1-N 2.88Å; D126-N129 PolarHBondContact OD1-ND2 2.95Å; D126-S130 PolarHBondContact O-N 3.32Å
127S85.7Confident94.7Very high113 Ų11350.4 Ų50.479%0.7929%0.29SS*.SBendtrans-63.1-29.9179.652.60000113.4
128E84.3Confident94.8Very high167 Ų16746 Ų4678%0.7828%0.282SS*.SBendtrans-87.6-27.8179.1-61.9-61.6136.200111.6D126D126-E128 VanDerWaalsContact C-N 3.25Å; D126-E128 PolarHBondContact O-N 3.39Å; D126-E128 PolarHBondContact OD1-N 3.12Å
129N88.7Confident94.9Very high77 Ų7746.8 Ų46.841%0.41228%0.281SS..SBendtrans-116.655.5-177.3-65-75.2000111.5R123 C125 D126R123-N129 PolarHBondContact NH1-O 2.93Å; C125-N129 WeakPolarHBondContact CA-O 3.34Å; D126-N129 CarbonylContact O-C 3.16Å; D126-N129 PolarHBondContact O-N 3.36Å; D126-N129 WeakPolarHBondContact OD1-CB 3.49Å; D126-N129 PolarHBondContact OD1-N 2.88Å; D126-N129 PolarHBondContact OD1-ND2 2.95Å
130S94Very high95Very high36 Ų3646.7 Ų46.725%0.25228%0.28SS..  trans-51.1143.4-176.6-177.20000112.8R123 D126 S132 S133R123-S130 PolarHBondContact NH2-O 2.95Å; D126-S130 PolarHBondContact O-N 3.32Å; S130-S132 PolarHBondContact O-N 2.95Å; S130-S132 PolarHBondContact OG-N 2.99Å; S130-S132 VanDerWaalsContact OG-N 3.07Å; S130-S132 PolarHBondContact OG-OG 3.03Å; S130-S133 PolarHBondContact O-N 2.92Å
131F96.7Very high94.9Very high73 Ų7350.4 Ų50.432%0.3231%0.306SS..THydrogen-bonded Turntrans-68.7-20.7170.767.2-96.6000111.9E73 W112 G113 L121 S133E73-F131 WeakPolarHBondContact OE1-CE2 3.3Å; E73-F131 WeakPolarHBondContact OE1-CZ 3.39Å; W112-F131 WeakPolarHBondContact CB-O 3.3Å; G113-F131 PolarHBondContact N-O 3.04Å; G113-F131 WeakPolarHBondContact O-CB 3.43Å; L121-F131 HydrophobicContact CD1-CB 3.8Å; F131-S133 PolarHBondContact O-N 3.4Å
132S97.1Very high94.8Very high9 Ų955.5 Ų55.56%0.06334%0.342CS..THydrogen-bonded Turntrans-79.50.6177.363.50000114.1G69 T70 G71 S130G69-S132 CarbonylContact C-O 3.55Å; G69-S132 WeakPolarHBondContact CA-O 3.25Å; T70-S132 PolarHBondContact N-O 3.49Å; G71-S132 WeakPolarHBondContact CA-O 3.36Å; G71-S132 PolarHBondContact N-O 3.36Å; G71-S132 PolarHBondContact O-OG 2.89Å; S130-S132 PolarHBondContact O-N 2.95Å; S130-S132 PolarHBondContact OG-N 2.99Å; S130-S132 VanDerWaalsContact OG-N 3.07Å; S130-S132 PolarHBondContact OG-OG 3.03Å
133S96.6Very high94.8Very high44 Ų4457 Ų5731%0.30835%0.349SS..SBendtrans-128.4148177.1-63.80000110.9G71 W112 R123 S130 F131 G135G71-S133 WeakPolarHBondContact CA-OG 3.44Å; W112-S133 WeakPolarHBondContact CB-O 3.46Å; R123-S133 PolarHBondContact NH2-O 2.89Å; S130-S133 PolarHBondContact O-N 2.92Å; F131-S133 PolarHBondContact O-N 3.4Å; S133-G135 PolarHBondContact O-N 3.13Å
134P97.9Very high94.9Very high19 Ų1959.6 Ų59.612%0.12337%0.367CS..  trans-57122.8171.4-23.133.6000111.5G69 I82 F84 W112G69-P134 WeakPolarHBondContact O-CD 3.43Å; I82-P134 HydrophobicContact CD1-CG 3.96Å; F84-P134 HydrophobicContact CD1-CB 3.41Å; F84-P134 VanDerWaalsContact CD1-CB 3.41Å; F84-P134 HydrophobicContact CD1-CG 4.11Å; F84-P134 HydrophobicContact CD2-CG 4.41Å; F84-P134 HydrophobicContact CE1-CB 3.38Å; F84-P134 HydrophobicContact CE1-CG 3.84Å; F84-P134 HydrophobicContact CE2-CB 4.45Å; F84-P134 HydrophobicContact CE2-CG 4.12Å; F84-P134 HydrophobicContact CG-CB 4.01Å; F84-P134 HydrophobicContact CG-CG 4.39Å; F84-P134 HydrophobicContact CZ-CB 3.93Å; F84-P134 HydrophobicContact CZ-CG 3.84Å; W112-P134 HydrophobicContact CD2-CB 4.33Å; W112-P134 HydrophobicContact CD2-CG 4.04Å; W112-P134 HydrophobicContact CE3-CB 3.84Å; W112-P134 HydrophobicContact CE3-CG 3.97Å; W112-P134 HydrophobicContact CG-CG 4.44Å; W112-P134 HydrophobicContact CZ3-CB 4.37Å; W112-P134 HydrophobicContact CZ3-CG 4.47Å
135G97Very high95.1Very high9 Ų954.7 Ų54.79%0.09334%0.335CS..EExtended strand (participates in β ladder)trans-126.5149.1176.500000111.5F110 S111 R123 S133F110-G135 CarbonylContact C-O 3.55Å; F110-G135 WeakPolarHBondContact CA-O 3.33Å; S111-G135 PolarHBondContact N-O 3.21Å; S111-G135 PolarHBondContact O-N 3.04Å; R123-G135 WeakPolarHBondContact CD-O 3.31Å; R123-G135 PolarHBondContact NE-O 2.89Å; S133-G135 PolarHBondContact O-N 3.13Å
136L96.9Very high95.4Very high72 Ų7259.9 Ų59.938%0.37735%0.348SS..EExtended strand (participates in β ladder)trans-70.2133.2-176.9-179.268.4000111.2R108 F110 R123 A138R108-L136 HydrophobicContact CB-CD1 4.08Å; F110-L136 HydrophobicContact CD1-CB 4.28Å; F110-L136 HydrophobicContact CE1-CB 4.12Å; F110-L136 HydrophobicContact CE1-CD1 4.16Å; F110-L136 HydrophobicContact CE2-CD1 4.38Å; F110-L136 HydrophobicContact CZ-CD1 4.07Å; R123-L136 WeakPolarHBondContact CD-O 3.46Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 HydrophobicContact CD2-CB 4.46Å; L136-A138 PolarHBondContact O-N 2.7Å; L136-A138 VanDerWaalsContact O-N 3.15Å
137V98Very high95.8Very high0 Ų057.7 Ų57.70%034%0.336CS..  trans-85.179.5168.4-175.80000108.1V109 S111 S139 L140 P186V109-V137 HydrophobicContact CB-CB 4.22Å; V109-V137 HydrophobicContact CB-CG2 4.43Å; V109-V137 HydrophobicContact CG1-CB 4.26Å; V109-V137 HydrophobicContact CG1-CG2 3.97Å; V109-V137 PolarHBondContact O-N 3.11Å; S111-V137 WeakPolarHBondContact OG-CG2 3.41Å; V137-S139 PolarHBondContact O-N 2.8Å; V137-S139 VanDerWaalsContact O-N 3.16Å; V137-L140 HydrophobicContact CG1-CD1 4.02Å; V137-L140 HydrophobicContact CG1-CG 4.18Å; V137-L140 PolarHBondContact O-N 3.13Å; V137-P186 HydrophobicContact CG1-CG 3.57Å
138A97.1Very high96.4Very high59 Ų5952.4 Ų52.449%0.48830%0.299SS..G310 helixtrans-61.2-26.8-167.900000114.3L136 L140 S141L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 HydrophobicContact CD2-CB 4.46Å; L136-A138 PolarHBondContact O-N 2.7Å; L136-A138 VanDerWaalsContact O-N 3.15Å; A138-L140 PolarHBondContact O-N 2.79Å; A138-S141 WeakPolarHBondContact O-CB 3.39Å; A138-S141 PolarHBondContact O-N 3.24Å; A138-S141 PolarHBondContact O-OG 3.17Å
139S97.8Very high97.1Very high59 Ų5945.1 Ų45.141%0.41327%0.266SS..G310 helixtrans-63.2-20174.9480000114V137 P186V137-S139 PolarHBondContact O-N 2.8Å; V137-S139 VanDerWaalsContact O-N 3.16Å; S139-P186 VanDerWaalsContact OG-CD 3.31Å; S139-P186 WeakPolarHBondContact OG-CD 3.14Å
140L98.3Very high97.5Very high2 Ų241.4 Ų41.41%0.0125%0.246CC..G310 helixtrans-987173.4-66.7174.6000113V109 V137 A138 S142 I143 V145 A157 Y165 W167 P186V109-L140 HydrophobicContact CB-CD1 4.23Å; V109-L140 HydrophobicContact CG2-CD1 3.97Å; V137-L140 HydrophobicContact CG1-CD1 4.02Å; V137-L140 HydrophobicContact CG1-CG 4.18Å; V137-L140 PolarHBondContact O-N 3.13Å; A138-L140 PolarHBondContact O-N 2.79Å; L140-S142 VanDerWaalsContact C-N 3.25Å; L140-S142 PolarHBondContact O-N 2.99Å; L140-I143 HydrophobicContact CD2-CD1 3.59Å; L140-I143 PolarHBondContact O-N 3.14Å; L140-I143 VanDerWaalsContact O-O 3.04Å; L140-V145 HydrophobicContact CD1-CG2 4.47Å; L140-A157 HydrophobicContact CD1-CB 4.41Å; L140-Y165 HydrophobicContact CD2-CD1 3.99Å; L140-Y165 HydrophobicContact CD2-CE1 4.41Å; L140-Y165 HydrophobicContact CD2-CG 4.09Å; L140-W167 HydrophobicContact CD1-CH2 4.08Å; L140-W167 HydrophobicContact CD1-CZ3 4.05Å; L140-P186 HydrophobicContact CD1-CB 3.94Å; L140-P186 HydrophobicContact CD1-CG 3.76Å; L140-P186 HydrophobicContact CD2-CB 3.7Å; L140-P186 HydrophobicContact CD2-CG 4.28Å; L140-P186 HydrophobicContact CG-CB 3.78Å; L140-P186 HydrophobicContact CG-CG 3.78Å
141S96.1Very high97.7Very high78 Ų7839.7 Ų39.755%0.54523%0.234SC..THydrogen-bonded Turntrans-64-24.8-172.558.40000114.9A138A138-S141 WeakPolarHBondContact O-CB 3.39Å; A138-S141 PolarHBondContact O-N 3.24Å; A138-S141 PolarHBondContact O-OG 3.17Å
142S96.9Very high97.6Very high108 Ų10838.2 Ų38.276%0.75523%0.228SC*.THydrogen-bonded Turntrans-87.3-4.1174.958.70000113.6L140L140-S142 VanDerWaalsContact C-N 3.25Å; L140-S142 PolarHBondContact O-N 2.99Å
143I98.2Very high97.6Very high32 Ų3238.9 Ų38.916%0.16423%0.231CC..SBendtrans-111.6123.2-176.2-62.4155.5000108.5L140 V145 Y165L140-I143 HydrophobicContact CD2-CD1 3.59Å; L140-I143 PolarHBondContact O-N 3.14Å; L140-I143 VanDerWaalsContact O-O 3.04Å; I143-V145 HydrophobicContact CG2-CG2 4.09Å; I143-V145 PolarHBondContact O-N 3.24Å; I143-V145 VanDerWaalsContact O-N 3.13Å; I143-Y165 HydrophobicContact CD1-CD1 4.33Å; I143-Y165 HydrophobicContact CD1-CE1 3.53Å; I143-Y165 HydrophobicContact CD1-CE2 4.15Å; I143-Y165 VanDerWaalsContact CD1-CZ 3.43Å; I143-Y165 WeakPolarHBondContact CD1-OH 3.22Å; I143-Y165 HydrophobicContact CG2-CE2 4.04Å
144T98.5Very high97.7Very high68 Ų6836.9 Ų36.942%0.41722%0.217SC..  trans-76.1101.6171.7-54.40000109.6S159 A160T144-S159 CarbonylContact O-C 3.55Å; T144-S159 WeakPolarHBondContact O-CA 3.14Å; T144-A160 HydrophobicContact CG2-CB 4.22Å; T144-A160 PolarHBondContact O-N 3.24Å
145V98.8Very high97.7Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-82.9144.8176.8178.30000110.9V103 G107 V109 L140 I143 Q147 V148 A157 R158V103-V145 HydrophobicContact CG1-CB 4.4Å; V103-V145 HydrophobicContact CG1-CG1 4.39Å; V103-V145 VanDerWaalsContact CG1-O 3.28Å; V103-V145 WeakPolarHBondContact CG1-O 3.45Å; V103-V145 HydrophobicContact CG2-CG1 3.87Å; G107-V145 WeakPolarHBondContact CA-O 3.34Å; G107-V145 WeakPolarHBondContact O-CB 3.18Å; G107-V145 PolarHBondContact O-N 2.85Å; V109-V145 HydrophobicContact CG2-CB 3.59Å; V109-V145 HydrophobicContact CG2-CG1 3.68Å; V109-V145 HydrophobicContact CG2-CG2 3.56Å; L140-V145 HydrophobicContact CD1-CG2 4.47Å; I143-V145 HydrophobicContact CG2-CG2 4.09Å; I143-V145 PolarHBondContact O-N 3.24Å; I143-V145 VanDerWaalsContact O-N 3.13Å; V145-Q147 WeakPolarHBondContact CG1-O 3.37Å; V145-V148 HydrophobicContact CG1-CG1 4.13Å; V145-A157 HydrophobicContact CG1-CB 4.05Å; V145-R158 WeakPolarHBondContact CG1-O 3.34Å
146R98.4Very high97.8Very high152 Ų15235.6 Ų35.657%0.57421%0.207SC*.EExtended strand (participates in β ladder)trans-120.4-22.5178.4-68.4-61.5-173.3163.8-1.2114.4R158 A160R146-R158 PolarHBondContact N-O 2.87Å; R146-A160 HydrophobicContact CG-CB 3.83Å
147Q98.6Very high97.9Very high35 Ų3532.2 Ų32.216%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-144.5142.6-179-166.7-17910.800110.2E92 V145 A157 R158 T199 I200E92-Q147 WeakPolarHBondContact OE1-CG 3.18Å; E92-Q147 WeakPolarHBondContact OE2-CA 3.31Å; V145-Q147 WeakPolarHBondContact CG1-O 3.37Å; Q147-A157 CarbonylContact O-C 3.11Å; Q147-A157 WeakPolarHBondContact O-CA 3.41Å; Q147-R158 HydrophobicContact CB-CB 4.06Å; Q147-R158 PolarHBondContact N-O 2.92Å; Q147-R158 PolarHBondContact O-N 2.84Å; Q147-T199 PolarHBondContact NE2-OG1 2.81Å; Q147-T199 VanDerWaalsContact NE2-OG1 3.11Å; Q147-I200 HydrophobicContact CB-CG1 4.41Å; Q147-I200 HydrophobicContact CG-CD1 4.43Å; Q147-I200 HydrophobicContact CG-CG1 4Å; Q147-I200 PolarHBondContact NE2-O 2.98Å
148V98.7Very high97.9Very high2 Ų234.4 Ų34.41%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-126.2147.3166.8-70.90000110.5E92 S94 C101 V103 V109 V145 L156 A157E92-V148 PolarHBondContact OE1-N 2.6Å; E92-V148 PolarHBondContact OE2-N 3.35Å; S94-V148 VanDerWaalsContact CB-O 3.22Å; S94-V148 WeakPolarHBondContact CB-O 3.1Å; S94-V148 PolarHBondContact OG-O 3.32Å; C101-V148 HydrophobicContact CB-CB 4.03Å; C101-V148 HydrophobicContact CB-CG1 4.29Å; C101-V148 HydrophobicContact CB-CG2 3.8Å; V103-V148 HydrophobicContact CG2-CB 4.25Å; V103-V148 HydrophobicContact CG2-CG1 3.55Å; V103-V148 HydrophobicContact CG2-CG2 3.84Å; V109-V148 HydrophobicContact CG1-CG1 4.13Å; V109-V148 HydrophobicContact CG2-CG1 4.33Å; V145-V148 HydrophobicContact CG1-CG1 4.13Å; V148-L156 CarbonylContact C-O 3.59Å; V148-L156 WeakPolarHBondContact CA-O 3.4Å; V148-A157 HydrophobicContact CG1-CB 4.09Å
149S98.5Very high98Very high13 Ų1331.7 Ų31.79%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-134.8110175.7-1560000109.9S94 T155 L156 S201 A202S94-S149 WeakPolarHBondContact OG-CA 3.49Å; S149-T155 WeakPolarHBondContact O-CA 3.46Å; S149-L156 PolarHBondContact N-O 3.35Å; S149-L156 PolarHBondContact O-N 3.2Å; S149-S201 WeakPolarHBondContact OG-CA 3.36Å; S149-A202 VanDerWaalsContact O-CB 3.24Å; S149-A202 WeakPolarHBondContact O-CB 3.36Å; S149-A202 PolarHBondContact OG-N 2.85Å
150C98.1Very high98Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-89.1119.1178.9-67.60000110.1S94 G96 C101S94-C150 PolarHBondContact O-SG 3.1Å; S94-C150 PolarHBondContact OG-N 2.81Å; G96-C150 VanDerWaalsContact CA-CB 3.45Å; G96-C150 VanDerWaalsContact CA-O 3.32Å; G96-C150 WeakPolarHBondContact CA-O 3.38Å; C101-C150 VanDerWaalsContact CB-SG 3.57Å; C101-C150 PolarHBondContact N-SG 2.89Å
151G96.6Very high98Very high0 Ų036.4 Ų36.40%020%0.202CC..  trans-87.4-150.1173.800000112.3G96 S97 H99 F154 G203G96-G151 WeakPolarHBondContact CA-O 3.31Å; S97-G151 PolarHBondContact N-O 3.16Å; S97-G151 VanDerWaalsContact N-O 3.11Å; H99-G151 PolarHBondContact CE1-O 2.87Å; G151-F154 PolarHBondContact N-O 3.27Å; G151-G203 CarbonylContact C-O 3.5Å; G151-G203 WeakPolarHBondContact CA-O 3.19Å
152H95.8Very high98.1Very high41 Ų4132.8 Ų32.819%0.1918%0.176CC..SBendtrans-73.6-51.5177.1-175.2-85.3000113.3S97 W98 G203 Y204S97-H152 VanDerWaalsContact CB-CD2 3.48Å; S97-H152 WeakPolarHBondContact CB-CD2 3.46Å; S97-H152 WeakPolarHBondContact OG-CA 3.34Å; S97-H152 PolarHBondContact OG-CD2 2.9Å; W98-H152 AromaticContact CD1-NE2 3.87Å; W98-H152 AromaticContact NE1-CD2 3.99Å; W98-H152 AromaticContact NE1-CE1 3.85Å; W98-H152 AromaticContact NE1-NE2 3.31Å; W98-H152 PolarHBondContact NE1-NE2 3.16Å; H152-G203 PolarHBondContact N-O 3.03Å; H152-Y204 HydrophobicContact CB-CD2 3.74Å; H152-Y204 HydrophobicContact CB-CE2 4.32Å; H152-Y204 HydrophobicContact CB-CG 4.39Å; H152-Y204 AromaticContact CD2-CD2 3.49Å; H152-Y204 VanDerWaalsContact CD2-CD2 3.49Å; H152-Y204 WeakPolarHBondContact CD2-CD2 3.43Å; H152-Y204 AromaticContact CD2-CE2 3.55Å; H152-Y204 AromaticContact CG-CD2 3.63Å; H152-Y204 AromaticContact CG-CE2 3.76Å; H152-Y204 AromaticContact NE2-CE2 3.89Å
153N96.4Very high98.2Very high23 Ų2329.8 Ų29.812%0.12315%0.15CC..SBendtrans-138.929.4-179.7-73.3-37.1000111.9F116 V120 F169F116-N153 HydrophobicContact CD1-CB 4.34Å; V120-N153 HydrophobicContact CG2-CB 4.21Å; V120-N153 WeakPolarHBondContact CG2-O 3.27Å; N153-F169 HydrophobicContact CB-CB 3.84Å; N153-F169 WeakPolarHBondContact O-CB 3.46Å; N153-F169 PolarHBondContact O-N 2.89Å
154F98.3Very high98.2Very high3 Ų328.4 Ų28.41%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-155.5167.1179.770.8-82.7000109.6H99 G151 L156 W167 V174 L175 A202 G203 C207H99-F154 PolarHBondContact CE1-O 2.82Å; H99-F154 PolarHBondContact NE2-O 2.89Å; G151-F154 PolarHBondContact N-O 3.27Å; F154-L156 HydrophobicContact CD2-CD2 4.49Å; F154-L156 HydrophobicContact CE2-CD2 4.42Å; F154-L156 HydrophobicContact CE2-CG 4.26Å; F154-W167 WeakPolarHBondContact CA-O 3.37Å; F154-W167 VanDerWaalsContact CB-O 3.31Å; F154-W167 WeakPolarHBondContact CB-O 3.42Å; F154-V174 HydrophobicContact CD1-CB 4.33Å; F154-V174 HydrophobicContact CD1-CG2 3.91Å; F154-V174 HydrophobicContact CD2-CG2 4.48Å; F154-V174 HydrophobicContact CE1-CB 4.14Å; F154-V174 HydrophobicContact CE1-CG1 4.46Å; F154-V174 HydrophobicContact CE1-CG2 4.2Å; F154-V174 HydrophobicContact CE2-CB 4.41Å; F154-V174 HydrophobicContact CG-CG2 4.06Å; F154-V174 HydrophobicContact CZ-CB 4.18Å; F154-L175 HydrophobicContact CB-CD2 3.82Å; F154-L175 HydrophobicContact CD2-CD2 4.3Å; F154-L175 HydrophobicContact CG-CD2 4.35Å; F154-A202 HydrophobicContact CD2-CB 4.45Å; F154-A202 HydrophobicContact CE2-CB 3.6Å; F154-A202 HydrophobicContact CZ-CB 3.86Å; F154-G203 WeakPolarHBondContact CE1-O 3.48Å; F154-C207 WeakPolarHBondContact CE2-SG 3.05Å; F154-C207 WeakPolarHBondContact CZ-SG 3.49Å
155T98.7Very high98.3Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-137.2143.3-178.6-54.80000110.2H99 C101 S149 S166 W167H99-T155 PolarHBondContact NE2-OG1 2.97Å; C101-T155 HydrophobicContact CB-CG2 4.46Å; S149-T155 WeakPolarHBondContact O-CA 3.46Å; T155-S166 WeakPolarHBondContact O-CA 3.47Å; T155-W167 VanDerWaalsContact CB-CZ2 3.46Å; T155-W167 HydrophobicContact CG2-CH2 3.46Å; T155-W167 VanDerWaalsContact CG2-CH2 3.46Å; T155-W167 HydrophobicContact CG2-CZ2 3.32Å; T155-W167 HydrophobicContact CG2-CZ3 4.18Å; T155-W167 PolarHBondContact N-O 2.82Å; T155-W167 PolarHBondContact O-N 3.13Å; T155-W167 VanDerWaalsContact O-N 3.12Å
156L98.9Very high98.3Very high1 Ų126.6 Ų26.61%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-109.2146.4166.8-57.2-179.9000109.5V148 S149 F154 Y165 I200 A202 C207 F219V148-L156 CarbonylContact C-O 3.59Å; V148-L156 WeakPolarHBondContact CA-O 3.4Å; S149-L156 PolarHBondContact N-O 3.35Å; S149-L156 PolarHBondContact O-N 3.2Å; F154-L156 HydrophobicContact CD2-CD2 4.49Å; F154-L156 HydrophobicContact CE2-CD2 4.42Å; F154-L156 HydrophobicContact CE2-CG 4.26Å; L156-Y165 CarbonylContact C-O 3.55Å; L156-Y165 VanDerWaalsContact CA-O 3.29Å; L156-Y165 WeakPolarHBondContact CA-O 3.26Å; L156-I200 HydrophobicContact CB-CD1 3.69Å; L156-I200 HydrophobicContact CD1-CB 4.41Å; L156-A202 HydrophobicContact CD1-CB 4.09Å; L156-A202 HydrophobicContact CG-CB 4.11Å; L156-C207 HydrophobicContact CD1-CB 4.01Å; L156-F219 HydrophobicContact CD2-CZ 4.43Å
157A98.9Very high98.3Very high0 Ų019.3 Ų19.30%010%0.101CC..EExtended strand (participates in β ladder)trans-132.9145.1169.300000110.4L140 V145 Q147 V148 V164 Y165 W167L140-A157 HydrophobicContact CD1-CB 4.41Å; V145-A157 HydrophobicContact CG1-CB 4.05Å; Q147-A157 CarbonylContact O-C 3.11Å; Q147-A157 WeakPolarHBondContact O-CA 3.41Å; V148-A157 HydrophobicContact CG1-CB 4.09Å; A157-V164 CarbonylContact O-C 3.23Å; A157-V164 WeakPolarHBondContact O-CA 3.43Å; A157-Y165 PolarHBondContact N-O 2.86Å; A157-Y165 PolarHBondContact O-N 3Å; A157-W167 HydrophobicContact CB-CH2 3.95Å; A157-W167 HydrophobicContact CB-CZ3 3.73Å
158R98.8Very high98.3Very high47 Ų4717.7 Ų17.718%0.1779%0.094CC..EExtended strand (participates in β ladder)trans-119.6125.1177.7-171.9-179.471.594.1-1.4109.8V145 R146 Q147 H163 V197 T198 I200V145-R158 WeakPolarHBondContact CG1-O 3.34Å; R146-R158 PolarHBondContact N-O 2.87Å; Q147-R158 HydrophobicContact CB-CB 4.06Å; Q147-R158 PolarHBondContact N-O 2.92Å; Q147-R158 PolarHBondContact O-N 2.84Å; R158-H163 CarbonylContact C-O 3.52Å; R158-H163 WeakPolarHBondContact CA-O 3.25Å; R158-V197 VanDerWaalsContact CD-O 3.31Å; R158-V197 WeakPolarHBondContact CD-O 3.3Å; R158-V197 HydrophobicContact CG-CG1 4.47Å; R158-V197 PolarHBondContact NH1-O 2.92Å; R158-T198 PolarHBondContact NE-O 3.23Å; R158-T198 VanDerWaalsContact NE-O 3.14Å; R158-T198 PolarHBondContact NH1-O 3.39Å; R158-T198 PolarHBondContact NH2-O 2.85Å; R158-T198 VanDerWaalsContact NH2-O 3.1Å; R158-I200 HydrophobicContact CB-CD1 3.91Å; R158-I200 HydrophobicContact CB-CG1 4.15Å; R158-I200 HydrophobicContact CB-CG2 4.44Å
159S98.7Very high98.3Very high1 Ų120.1 Ų20.11%0.00710%0.104CC..EExtended strand (participates in β ladder)trans-73.1167.3175.679.10000112.2T144 D161 G162 H163T144-S159 CarbonylContact O-C 3.55Å; T144-S159 WeakPolarHBondContact O-CA 3.14Å; S159-D161 PolarHBondContact O-N 3.09Å; S159-D161 PolarHBondContact OG-N 2.68Å; S159-G162 PolarHBondContact O-N 3.47Å; S159-G162 PolarHBondContact OG-N 3.01Å; S159-H163 PolarHBondContact N-O 2.8Å; S159-H163 WeakPolarHBondContact OG-CB 3.48Å; S159-H163 PolarHBondContact OG-N 3.09Å; S159-H163 VanDerWaalsContact OG-N 3.13Å
160A98.3Very high98.2Very high46 Ų4619.5 Ų19.538%0.3810%0.1SC..THydrogen-bonded Turntrans-58.2-33.2171.400000112.6T144 R146 G162T144-A160 HydrophobicContact CG2-CB 4.22Å; T144-A160 PolarHBondContact O-N 3.24Å; R146-A160 HydrophobicContact CG-CB 3.83Å; A160-G162 PolarHBondContact O-N 3Å
161D98.1Very high98.2Very high115 Ų11523.9 Ų23.962%0.61512%0.119SC*.THydrogen-bonded Turntrans-83.45.9177.4-43.5-56.2000113.2S159 H163S159-D161 PolarHBondContact O-N 3.09Å; S159-D161 PolarHBondContact OG-N 2.68Å; D161-H163 PolarHBondContact O-N 3.06Å
162G98.4Very high98.3Very high1 Ų126.3 Ų26.31%0.0113%0.129CC..SBendtrans78.711.9178.200000115.3S159 A160 V197S159-G162 PolarHBondContact O-N 3.47Å; S159-G162 PolarHBondContact OG-N 3.01Å; A160-G162 PolarHBondContact O-N 3Å; G162-V197 VanDerWaalsContact CA-O 3.28Å; G162-V197 WeakPolarHBondContact CA-O 3.34Å; G162-V197 VanDerWaalsContact O-CB 3.29Å; G162-V197 WeakPolarHBondContact O-CB 3.43Å; G162-V197 PolarHBondContact O-N 3.48Å
163H98.8Very high98.4Very high46 Ų4624.4 Ų24.421%0.21312%0.12CC..  trans-76.1141.1171.5-65.297.2000110.7R158 S159 D161 Y165R158-H163 CarbonylContact C-O 3.52Å; R158-H163 WeakPolarHBondContact CA-O 3.25Å; S159-H163 PolarHBondContact N-O 2.8Å; S159-H163 WeakPolarHBondContact OG-CB 3.48Å; S159-H163 PolarHBondContact OG-N 3.09Å; S159-H163 VanDerWaalsContact OG-N 3.13Å; D161-H163 PolarHBondContact O-N 3.06Å; H163-Y165 HydrophobicContact CB-CE2 3.92Å
164V98.9Very high98.5Very high2 Ų223.5 Ų23.51%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-107.5136.8-179.8-173.70000110.7A157 R188 I189 L192 V197 I200A157-V164 CarbonylContact O-C 3.23Å; A157-V164 WeakPolarHBondContact O-CA 3.43Å; V164-R188 WeakPolarHBondContact O-CA 3.45Å; V164-I189 HydrophobicContact CB-CD1 4.32Å; V164-I189 HydrophobicContact CG1-CD1 3.75Å; V164-I189 HydrophobicContact CG1-CG1 4.45Å; V164-I189 PolarHBondContact O-N 3.32Å; V164-L192 HydrophobicContact CB-CD1 4.16Å; V164-L192 HydrophobicContact CG2-CD1 4.07Å; V164-V197 HydrophobicContact CG2-CB 3.68Å; V164-V197 HydrophobicContact CG2-CG1 3.75Å; V164-V197 HydrophobicContact CG2-CG2 3.61Å; V164-I200 HydrophobicContact CG1-CG2 4.07Å; V164-I200 HydrophobicContact CG2-CG2 3.92Å
165Y98.9Very high98.5Very high30 Ų3023.5 Ų23.512%0.11812%0.115CC..EExtended strand (participates in β ladder)trans-121.7148.8176-60.7-102.1000109.8L140 I143 L156 A157 H163 Q187 R188L140-Y165 HydrophobicContact CD2-CD1 3.99Å; L140-Y165 HydrophobicContact CD2-CE1 4.41Å; L140-Y165 HydrophobicContact CD2-CG 4.09Å; I143-Y165 HydrophobicContact CD1-CD1 4.33Å; I143-Y165 HydrophobicContact CD1-CE1 3.53Å; I143-Y165 HydrophobicContact CD1-CE2 4.15Å; I143-Y165 VanDerWaalsContact CD1-CZ 3.43Å; I143-Y165 WeakPolarHBondContact CD1-OH 3.22Å; I143-Y165 HydrophobicContact CG2-CE2 4.04Å; L156-Y165 CarbonylContact C-O 3.55Å; L156-Y165 VanDerWaalsContact CA-O 3.29Å; L156-Y165 WeakPolarHBondContact CA-O 3.26Å; A157-Y165 PolarHBondContact N-O 2.86Å; A157-Y165 PolarHBondContact O-N 3Å; H163-Y165 HydrophobicContact CB-CE2 3.92Å; Y165-Q187 CarbonylContact C-O 3.56Å; Y165-Q187 WeakPolarHBondContact CA-O 3.36Å; Y165-R188 HydrophobicContact CD1-CB 3.89Å; Y165-R188 HydrophobicContact CD1-CG 4.49Å; Y165-R188 HydrophobicContact CE1-CB 3.61Å; Y165-R188 HydrophobicContact CE1-CG 4.09Å
166S98.9Very high98.5Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-141.7147.9-179.438.20000111.6T155 L175 H177 Q187 I189T155-S166 WeakPolarHBondContact O-CA 3.47Å; S166-L175 PolarHBondContact OG-O 2.94Å; S166-H177 PolarHBondContact OG-CE1 3.39Å; S166-H177 PolarHBondContact OG-NE2 3.19Å; S166-Q187 PolarHBondContact N-O 3.14Å; S166-Q187 PolarHBondContact O-N 3.34Å; S166-I189 WeakPolarHBondContact OG-CD1 3.26Å; S166-I189 WeakPolarHBondContact OG-CG1 3.25Å
167W98.8Very high98.5Very high0 Ų025 Ų250%012%0.123CC..EExtended strand (participates in β ladder)trans-158.3166.9172.164.595.8000111.3V120 G122 L140 F154 T155 A157 L175 L183 P186V120-W167 VanDerWaalsContact O-CD1 3.27Å; V120-W167 PolarHBondContact O-NE1 3Å; G122-W167 VanDerWaalsContact N-CD1 3.33Å; L140-W167 HydrophobicContact CD1-CH2 4.08Å; L140-W167 HydrophobicContact CD1-CZ3 4.05Å; F154-W167 WeakPolarHBondContact CA-O 3.37Å; F154-W167 VanDerWaalsContact CB-O 3.31Å; F154-W167 WeakPolarHBondContact CB-O 3.42Å; T155-W167 VanDerWaalsContact CB-CZ2 3.46Å; T155-W167 HydrophobicContact CG2-CH2 3.46Å; T155-W167 VanDerWaalsContact CG2-CH2 3.46Å; T155-W167 HydrophobicContact CG2-CZ2 3.32Å; T155-W167 HydrophobicContact CG2-CZ3 4.18Å; T155-W167 PolarHBondContact N-O 2.82Å; T155-W167 PolarHBondContact O-N 3.13Å; T155-W167 VanDerWaalsContact O-N 3.12Å; A157-W167 HydrophobicContact CB-CH2 3.95Å; A157-W167 HydrophobicContact CB-CZ3 3.73Å; W167-L175 WeakPolarHBondContact O-CD2 3.28Å; W167-L183 HydrophobicContact CB-CB 4.34Å; W167-P186 HydrophobicContact CD2-CB 4.17Å; W167-P186 HydrophobicContact CD2-CG 3.69Å; W167-P186 HydrophobicContact CE3-CB 3.6Å; W167-P186 HydrophobicContact CE3-CG 3.55Å; W167-P186 HydrophobicContact CG-CG 4.17Å; W167-P186 HydrophobicContact CH2-CG 4.42Å; W167-P186 HydrophobicContact CZ3-CB 4.05Å; W167-P186 HydrophobicContact CZ3-CG 3.96Å
168G98.7Very high98.5Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans116.8-148.4-179.500000113C119 N182 L183C119-G168 WeakPolarHBondContact O-CA 3.34Å; G168-N182 CarbonylContact O-C 3.05Å; G168-N182 VanDerWaalsContact O-CA 3.29Å; G168-N182 WeakPolarHBondContact O-CA 3.42Å; G168-L183 PolarHBondContact N-O 3.06Å; G168-L183 PolarHBondContact O-N 3.29Å
169F98Very high98.4Very high54 Ų5427.4 Ų27.424%0.23715%0.147CC..  trans-80.1117.5-176.8-172.9-118.5000111F116 K117 N153 K171 V174 N182F116-F169 HydrophobicContact CD1-CB 4.45Å; F116-F169 HydrophobicContact CD1-CD2 4.35Å; F116-F169 HydrophobicContact CD1-CG 4.31Å; F116-F169 HydrophobicContact CE1-CD1 4.35Å; F116-F169 AromaticContact CE1-CD2 3.91Å; F116-F169 HydrophobicContact CE1-CD2 3.91Å; F116-F169 HydrophobicContact CE1-CE1 4.45Å; F116-F169 HydrophobicContact CE1-CE2 4.07Å; F116-F169 HydrophobicContact CE1-CG 4.08Å; F116-F169 HydrophobicContact CE1-CZ 4.34Å; K117-F169 HydrophobicContact CG-CD2 4.46Å; N153-F169 HydrophobicContact CB-CB 3.84Å; N153-F169 WeakPolarHBondContact O-CB 3.46Å; N153-F169 PolarHBondContact O-N 2.89Å; F169-K171 HydrophobicContact CD1-CB 3.8Å; F169-K171 HydrophobicContact CE1-CB 3.3Å; F169-K171 HydrophobicContact CE1-CD 3.79Å; F169-K171 HydrophobicContact CE1-CG 4.14Å; F169-K171 HydrophobicContact CZ-CB 3.79Å; F169-K171 HydrophobicContact CZ-CD 4.18Å; F169-K171 HydrophobicContact CZ-CG 4.49Å; F169-K171 PolarHBondContact O-N 2.87Å; F169-V174 WeakPolarHBondContact O-CG2 3.23Å; F169-N182 WeakPolarHBondContact CA-OD1 3.44Å; F169-N182 WeakPolarHBondContact CD2-OD1 3.21Å
170G98.1Very high98.4Very high0 Ų031.7 Ų31.70%017%0.167CC..  trans-84.4-0.5-166.900000117.2Y172 G173 E180 L181 N182G170-Y172 PolarHBondContact O-N 2.83Å; G170-G173 WeakPolarHBondContact O-CA 3.19Å; G170-G173 PolarHBondContact O-N 2.87Å; G170-E180 CarbonylContact C-O 3.6Å; G170-E180 CarbonylContact O-C 3.13Å; G170-E180 VanDerWaalsContact O-CA 3.28Å; G170-E180 WeakPolarHBondContact O-CA 3.49Å; G170-L181 WeakPolarHBondContact CA-O 3.29Å; G170-N182 PolarHBondContact N-OD1 2.86Å
171K97.4Very high98.4Very high92 Ų9234.9 Ų34.940%0.418%0.177SC..G310 helixtrans-51.5139.4-175.1-169.9-179.3-173.6-171.90112.1F169 G173 V174F169-K171 HydrophobicContact CD1-CB 3.8Å; F169-K171 HydrophobicContact CE1-CB 3.3Å; F169-K171 HydrophobicContact CE1-CD 3.79Å; F169-K171 HydrophobicContact CE1-CG 4.14Å; F169-K171 HydrophobicContact CZ-CB 3.79Å; F169-K171 HydrophobicContact CZ-CD 4.18Å; F169-K171 HydrophobicContact CZ-CG 4.49Å; F169-K171 PolarHBondContact O-N 2.87Å; K171-G173 PolarHBondContact O-N 3.05Å; K171-V174 WeakPolarHBondContact O-CG1 3.15Å; K171-V174 WeakPolarHBondContact O-CG2 3.29Å
172Y97.7Very high98.5Very high51 Ų5133 Ų3320%0.217%0.167CC..G310 helixtrans66.55.3-175.4-40.9-69.2000115.2G170 E180 A205 G220 K221G170-Y172 PolarHBondContact O-N 2.83Å; Y172-E180 VanDerWaalsContact CA-OE1 3.28Å; Y172-E180 WeakPolarHBondContact CA-OE1 3.02Å; Y172-E180 PolarHBondContact N-OE1 2.62Å; Y172-E180 PolarHBondContact N-OE2 3.04Å; Y172-A205 HydrophobicContact CD2-CB 3.82Å; Y172-A205 HydrophobicContact CE2-CB 4.09Å; Y172-G220 CarbonylContact O-C 3.5Å; Y172-G220 VanDerWaalsContact O-C 3.23Å; Y172-G220 WeakPolarHBondContact O-CA 3.47Å; Y172-K221 HydrophobicContact CD1-CB 4.33Å; Y172-K221 HydrophobicContact CD1-CD 4.36Å; Y172-K221 HydrophobicContact CD1-CG 4.2Å; Y172-K221 HydrophobicContact CD2-CB 4.1Å; Y172-K221 HydrophobicContact CD2-CD 4.21Å; Y172-K221 HydrophobicContact CD2-CG 4.47Å; Y172-K221 HydrophobicContact CE1-CD 4.23Å; Y172-K221 HydrophobicContact CE1-CG 4.49Å; Y172-K221 HydrophobicContact CE2-CD 4.04Å; Y172-K221 HydrophobicContact CG-CB 3.84Å; Y172-K221 HydrophobicContact CG-CD 4.35Å; Y172-K221 HydrophobicContact CG-CG 4.18Å
173G98.4Very high98.5Very high0 Ų034.3 Ų34.30%017%0.174CC..G310 helixtrans77.624.3-178.600000114.3G170 K171 L175 G176G170-G173 WeakPolarHBondContact O-CA 3.19Å; G170-G173 PolarHBondContact O-N 2.87Å; K171-G173 PolarHBondContact O-N 3.05Å; G173-L175 PolarHBondContact O-N 3.02Å; G173-G176 PolarHBondContact O-N 2.88Å
174V98.2Very high98.4Very high4 Ų435.3 Ų35.32%0.02419%0.186CC..THydrogen-bonded Turntrans-62.5-11.9-179.2-64.50000114.6F154 F169 K171 A205 C207 F219F154-V174 HydrophobicContact CD1-CB 4.33Å; F154-V174 HydrophobicContact CD1-CG2 3.91Å; F154-V174 HydrophobicContact CD2-CG2 4.48Å; F154-V174 HydrophobicContact CE1-CB 4.14Å; F154-V174 HydrophobicContact CE1-CG1 4.46Å; F154-V174 HydrophobicContact CE1-CG2 4.2Å; F154-V174 HydrophobicContact CE2-CB 4.41Å; F154-V174 HydrophobicContact CG-CG2 4.06Å; F154-V174 HydrophobicContact CZ-CB 4.18Å; F169-V174 WeakPolarHBondContact O-CG2 3.23Å; K171-V174 WeakPolarHBondContact O-CG1 3.15Å; K171-V174 WeakPolarHBondContact O-CG2 3.29Å; V174-A205 HydrophobicContact CG1-CB 4.46Å; V174-A205 WeakPolarHBondContact CG1-O 3.42Å; V174-C207 PolarHBondContact O-SG 3.28Å; V174-F219 WeakPolarHBondContact O-CE2 3.29Å
175L98.8Very high98.4Very high4 Ų439 Ų392%0.02121%0.208CC..THydrogen-bonded Turntrans-91.1-10.3174-51.9-179.1000112.7F154 S166 W167 G173 H177 L181 L183F154-L175 HydrophobicContact CB-CD2 3.82Å; F154-L175 HydrophobicContact CD2-CD2 4.3Å; F154-L175 HydrophobicContact CG-CD2 4.35Å; S166-L175 PolarHBondContact OG-O 2.94Å; W167-L175 WeakPolarHBondContact O-CD2 3.28Å; G173-L175 PolarHBondContact O-N 3.02Å; L175-H177 VanDerWaalsContact C-N 3.33Å; L175-H177 PolarHBondContact O-CD2 2.92Å; L175-H177 VanDerWaalsContact O-CD2 3.22Å; L175-H177 PolarHBondContact O-N 3.34Å; L175-H177 PolarHBondContact O-NE2 2.82Å; L175-L181 WeakPolarHBondContact CD1-O 3.44Å; L175-L183 HydrophobicContact CD1-CB 4.06Å; L175-L183 HydrophobicContact CD1-CD1 4.06Å; L175-L183 HydrophobicContact CD1-CG 3.9Å
176G98.8Very high98.4Very high2 Ų238.4 Ų38.42%0.02121%0.208CC..  trans72.616.8170.500000116.2G173 L237 P239G173-G176 PolarHBondContact O-N 2.88Å; G176-L237 CarbonylContact C-O 3.59Å; G176-L237 WeakPolarHBondContact CA-O 2.98Å; G176-P239 WeakPolarHBondContact O-CD 3.47Å
177H98.7Very high98.4Very high30 Ų3042.6 Ų42.614%0.13923%0.228CC..SBendtrans-98.319.4-177.8-57.6-67.4000114.3S166 L175 N179 L183 Q187 R188 L237S166-H177 PolarHBondContact OG-CE1 3.39Å; S166-H177 PolarHBondContact OG-NE2 3.19Å; L175-H177 VanDerWaalsContact C-N 3.33Å; L175-H177 PolarHBondContact O-CD2 2.92Å; L175-H177 VanDerWaalsContact O-CD2 3.22Å; L175-H177 PolarHBondContact O-N 3.34Å; L175-H177 PolarHBondContact O-NE2 2.82Å; H177-N179 VanDerWaalsContact C-N 3.29Å; H177-N179 PolarHBondContact O-N 2.88Å; H177-N179 PolarHBondContact O-ND2 2.9Å; H177-N179 VanDerWaalsContact O-ND2 3.1Å; H177-L183 WeakPolarHBondContact CD2-CD1 3.23Å; H177-L183 WeakPolarHBondContact NE2-CD1 3.32Å; H177-Q187 PolarHBondContact CE1-O 3.46Å; H177-R188 PolarHBondContact CE1-O 2.85Å; H177-R188 VanDerWaalsContact CE1-O 3.26Å; H177-R188 PolarHBondContact ND1-O 2.96Å; H177-L237 PolarHBondContact N-O 2.8Å
178G98.5Very high98.4Very high35 Ų3546.5 Ų46.536%0.36124%0.243SC..SBendtrans78.97.8176.700000115L237G178-L237 WeakPolarHBondContact CA-O 3.22Å; G178-L237 PolarHBondContact N-O 2.86Å
179N98.5Very high98.4Very high62 Ų6246.5 Ų46.533%0.33224%0.243SC..SBendtrans-149.7-179.8179.561.466.5000110.5H177 L181H177-N179 VanDerWaalsContact C-N 3.29Å; H177-N179 PolarHBondContact O-N 2.88Å; H177-N179 PolarHBondContact O-ND2 2.9Å; H177-N179 VanDerWaalsContact O-ND2 3.1Å; N179-L181 HydrophobicContact CB-CG 4.37Å; N179-L181 VanDerWaalsContact OD1-CB 3.23Å; N179-L181 WeakPolarHBondContact OD1-CB 3.49Å; N179-L181 VanDerWaalsContact OD1-CG 3.31Å; N179-L181 WeakPolarHBondContact OD1-CG 3.18Å; N179-L181 PolarHBondContact OD1-N 2.71Å
180E98.4Very high98.4Very high91 Ų9149 Ų4943%0.42526%0.255SS..  trans-108.322178.4-56-162.6165.100113.6G170 Y172 L237G170-E180 CarbonylContact C-O 3.6Å; G170-E180 CarbonylContact O-C 3.13Å; G170-E180 VanDerWaalsContact O-CA 3.28Å; G170-E180 WeakPolarHBondContact O-CA 3.49Å; Y172-E180 VanDerWaalsContact CA-OE1 3.28Å; Y172-E180 WeakPolarHBondContact CA-OE1 3.02Å; Y172-E180 PolarHBondContact N-OE1 2.62Å; Y172-E180 PolarHBondContact N-OE2 3.04Å; E180-L237 HydrophobicContact CG-CD2 3.87Å
181L98.5Very high98.4Very high114 Ų11456 Ų5660%0.59728%0.281SS*.  trans-72.5144.5-177.1-61.1173.5000111.7G170 L175 N179G170-L181 WeakPolarHBondContact CA-O 3.29Å; L175-L181 WeakPolarHBondContact CD1-O 3.44Å; N179-L181 HydrophobicContact CB-CG 4.37Å; N179-L181 VanDerWaalsContact OD1-CB 3.23Å; N179-L181 WeakPolarHBondContact OD1-CB 3.49Å; N179-L181 VanDerWaalsContact OD1-CG 3.31Å; N179-L181 WeakPolarHBondContact OD1-CG 3.18Å; N179-L181 PolarHBondContact OD1-N 2.71Å
182N98.6Very high98.5Very high74 Ų7451.7 Ų51.740%0.39626%0.263SS..  trans-75.9143.2170.9-56.7-31.9000110C119 G168 F169 G170C119-N182 HydrophobicContact CB-CB 4.48Å; G168-N182 CarbonylContact O-C 3.05Å; G168-N182 VanDerWaalsContact O-CA 3.29Å; G168-N182 WeakPolarHBondContact O-CA 3.42Å; F169-N182 WeakPolarHBondContact CA-OD1 3.44Å; F169-N182 WeakPolarHBondContact CD2-OD1 3.21Å; G170-N182 PolarHBondContact N-OD1 2.86Å
183L98.5Very high98.5Very high30 Ų3050.6 Ų50.616%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-122.9118.7175.2-63.8179.3000109.4W167 G168 L175 H177 T185 Q187W167-L183 HydrophobicContact CB-CB 4.34Å; G168-L183 PolarHBondContact N-O 3.06Å; G168-L183 PolarHBondContact O-N 3.29Å; L175-L183 HydrophobicContact CD1-CB 4.06Å; L175-L183 HydrophobicContact CD1-CD1 4.06Å; L175-L183 HydrophobicContact CD1-CG 3.9Å; H177-L183 WeakPolarHBondContact CD2-CD1 3.23Å; H177-L183 WeakPolarHBondContact NE2-CD1 3.32Å; L183-T185 VanDerWaalsContact C-N 3.3Å; L183-Q187 HydrophobicContact CD1-CB 3.8Å
184S97.7Very high98.4Very high67 Ų6760.6 Ų60.647%0.46931%0.308SS..EExtended strand (participates in β ladder)trans-84.3-7.1174.554.80000113.5G122G122-S184 CarbonylContact C-O 3.42Å; G122-S184 VanDerWaalsContact C-O 3.24Å; G122-S184 WeakPolarHBondContact CA-O 3.17Å
185T98.2Very high98.4Very high78 Ų7862.1 Ų62.148%0.47932%0.317SS..EExtended strand (participates in β ladder)trans-128.2138.4176540000110L183 Q187L183-T185 VanDerWaalsContact C-N 3.3Å; T185-Q187 PolarHBondContact O-N 3.19Å
186P98.8Very high98.4Very high18 Ų1866.1 Ų66.112%0.11734%0.338CS..EExtended strand (participates in β ladder)trans-47.2130.7170.8-27.232.3000113.2V137 S139 L140 W167V137-P186 HydrophobicContact CG1-CG 3.57Å; S139-P186 VanDerWaalsContact OG-CD 3.31Å; S139-P186 WeakPolarHBondContact OG-CD 3.14Å; L140-P186 HydrophobicContact CD1-CB 3.94Å; L140-P186 HydrophobicContact CD1-CG 3.76Å; L140-P186 HydrophobicContact CD2-CB 3.7Å; L140-P186 HydrophobicContact CD2-CG 4.28Å; L140-P186 HydrophobicContact CG-CB 3.78Å; L140-P186 HydrophobicContact CG-CG 3.78Å; W167-P186 HydrophobicContact CD2-CB 4.17Å; W167-P186 HydrophobicContact CD2-CG 3.69Å; W167-P186 HydrophobicContact CE3-CB 3.6Å; W167-P186 HydrophobicContact CE3-CG 3.55Å; W167-P186 HydrophobicContact CG-CG 4.17Å; W167-P186 HydrophobicContact CH2-CG 4.42Å; W167-P186 HydrophobicContact CZ3-CB 4.05Å; W167-P186 HydrophobicContact CZ3-CG 3.96Å
187Q98.7Very high98.4Very high89 Ų8966 Ų6642%0.41634%0.337SS..EExtended strand (participates in β ladder)trans-129.5142.2174.1-176.6176.9-15.200110Y165 S166 H177 L183 T185Y165-Q187 CarbonylContact C-O 3.56Å; Y165-Q187 WeakPolarHBondContact CA-O 3.36Å; S166-Q187 PolarHBondContact N-O 3.14Å; S166-Q187 PolarHBondContact O-N 3.34Å; H177-Q187 PolarHBondContact CE1-O 3.46Å; L183-Q187 HydrophobicContact CD1-CB 3.8Å; T185-Q187 PolarHBondContact O-N 3.19Å
188R98.7Very high98.4Very high81 Ų8167.2 Ų67.231%0.30635%0.346SS..EExtended strand (participates in β ladder)trans-69.7137.6177.2-166.4173.570.9166.12.3110.9V164 Y165 H177 E190V164-R188 WeakPolarHBondContact O-CA 3.45Å; Y165-R188 HydrophobicContact CD1-CB 3.89Å; Y165-R188 HydrophobicContact CD1-CG 4.49Å; Y165-R188 HydrophobicContact CE1-CB 3.61Å; Y165-R188 HydrophobicContact CE1-CG 4.09Å; H177-R188 PolarHBondContact CE1-O 2.85Å; H177-R188 VanDerWaalsContact CE1-O 3.26Å; H177-R188 PolarHBondContact ND1-O 2.96Å; R188-E190 IonicContact CZ-OE1 2.9Å; R188-E190 IonicContact CZ-OE2 2.79Å; R188-E190 IonicContact NE-OE1 3.76Å; R188-E190 PolarHBondContact NE-OE1 3.3Å; R188-E190 IonicContact NE-OE2 2.89Å; R188-E190 IonicContact NH2-OE1 3.23Å; R188-E190 PolarHBondContact NH2-OE1 2.94Å; R188-E190 VanDerWaalsContact NH2-OE1 3.13Å; R188-E190 IonicContact NH2-OE2 3.16Å; R188-E190 PolarHBondContact NH2-OE2 2.89Å; R188-E190 PolarHBondContact O-N 2.98Å
189I98.8Very high98.4Very high1 Ų166.1 Ų66.11%0.00533%0.333CS..  trans-83.995175.5-54.4179.6000108.9V164 S166 R191 L192 F219 P239V164-I189 HydrophobicContact CB-CD1 4.32Å; V164-I189 HydrophobicContact CG1-CD1 3.75Å; V164-I189 HydrophobicContact CG1-CG1 4.45Å; V164-I189 PolarHBondContact O-N 3.32Å; S166-I189 WeakPolarHBondContact OG-CD1 3.26Å; S166-I189 WeakPolarHBondContact OG-CG1 3.25Å; I189-R191 HydrophobicContact CG2-CB 4.39Å; I189-R191 PolarHBondContact O-N 3.19Å; I189-R191 VanDerWaalsContact O-N 3.14Å; I189-L192 HydrophobicContact CG2-CD1 4.29Å; I189-L192 HydrophobicContact CG2-CG 4.31Å; I189-L192 PolarHBondContact O-N 2.83Å; I189-F219 HydrophobicContact CD1-CE2 4.26Å; I189-F219 HydrophobicContact CD1-CZ 3.87Å; I189-P239 HydrophobicContact CG2-CG 3.61Å
190E98.5Very high98.4Very high107 Ų10763.4 Ų63.450%0.532%0.318SS..G310 helixtrans-59.5-28.9-174.4-64.9-54.7132.800113.7R188 L192 A193R188-E190 IonicContact CZ-OE1 2.9Å; R188-E190 IonicContact CZ-OE2 2.79Å; R188-E190 IonicContact NE-OE1 3.76Å; R188-E190 PolarHBondContact NE-OE1 3.3Å; R188-E190 IonicContact NE-OE2 2.89Å; R188-E190 IonicContact NH2-OE1 3.23Å; R188-E190 PolarHBondContact NH2-OE1 2.94Å; R188-E190 VanDerWaalsContact NH2-OE1 3.13Å; R188-E190 IonicContact NH2-OE2 3.16Å; R188-E190 PolarHBondContact NH2-OE2 2.89Å; R188-E190 PolarHBondContact O-N 2.98Å; E190-L192 PolarHBondContact O-N 3.4Å; E190-L192 VanDerWaalsContact O-N 3.17Å; E190-A193 VanDerWaalsContact O-CB 3.26Å; E190-A193 WeakPolarHBondContact O-CB 3.38Å; E190-A193 PolarHBondContact O-N 2.81Å
191R98.5Very high98.4Very high145 Ų14559.5 Ų59.555%0.54730%0.301SS..G310 helixtrans-61.6-24.7176.4-169.962.2-178.8-113.64.5113.3I189 E238 P239I189-R191 HydrophobicContact CG2-CB 4.39Å; I189-R191 PolarHBondContact O-N 3.19Å; I189-R191 VanDerWaalsContact O-N 3.14Å; R191-E238 HydrophobicContact CB-CB 4.44Å; R191-E238 HydrophobicContact CG-CB 4.2Å; R191-E238 IonicContact CZ-OE2 2.76Å; R191-E238 IonicContact NH1-OE2 3.94Å; R191-E238 PolarHBondContact NH1-OE2 2.94Å; R191-P239 HydrophobicContact CB-CG 4.28Å; R191-P239 HydrophobicContact CG-CB 4.27Å; R191-P239 HydrophobicContact CG-CG 4.5Å
192L98.7Very high98.4Very high2 Ų254.1 Ų54.11%0.0127%0.273CS..G310 helixtrans-100.11.8176.7-63.7172.6000112.9V164 I189 E190 K194 V195 V197 A209 Y217 P239V164-L192 HydrophobicContact CB-CD1 4.16Å; V164-L192 HydrophobicContact CG2-CD1 4.07Å; I189-L192 HydrophobicContact CG2-CD1 4.29Å; I189-L192 HydrophobicContact CG2-CG 4.31Å; I189-L192 PolarHBondContact O-N 2.83Å; E190-L192 PolarHBondContact O-N 3.4Å; E190-L192 VanDerWaalsContact O-N 3.17Å; L192-K194 PolarHBondContact O-N 2.75Å; L192-K194 VanDerWaalsContact O-N 3.12Å; L192-V195 HydrophobicContact CB-CG2 4.2Å; L192-V195 HydrophobicContact CD2-CG2 3.98Å; L192-V195 VanDerWaalsContact O-CG2 3.29Å; L192-V195 WeakPolarHBondContact O-CG2 3.39Å; L192-V195 PolarHBondContact O-N 3.35Å; L192-V195 VanDerWaalsContact O-O 3.1Å; L192-V197 HydrophobicContact CB-CG2 4.48Å; L192-V197 HydrophobicContact CD1-CG2 4.39Å; L192-A209 HydrophobicContact CD1-CB 3.99Å; L192-Y217 HydrophobicContact CD2-CD1 3.96Å; L192-Y217 HydrophobicContact CD2-CD2 4.24Å; L192-Y217 HydrophobicContact CD2-CE1 4.41Å; L192-Y217 HydrophobicContact CD2-CG 3.87Å; L192-P239 HydrophobicContact CD1-CB 4.13Å; L192-P239 HydrophobicContact CD1-CG 3.8Å; L192-P239 HydrophobicContact CD2-CB 3.73Å; L192-P239 HydrophobicContact CD2-CG 4.23Å; L192-P239 HydrophobicContact CG-CB 3.85Å; L192-P239 HydrophobicContact CG-CG 3.76Å
193A97.4Very high98.3Very high29 Ų2950.6 Ų50.624%0.2425%0.254CS..THydrogen-bonded Turntrans-67.1-16.1-173.300000114.6E190E190-A193 VanDerWaalsContact O-CB 3.26Å; E190-A193 WeakPolarHBondContact O-CB 3.38Å; E190-A193 PolarHBondContact O-N 2.81Å
194K96.9Very high98.2Very high210 Ų21052.1 Ų52.191%0.91326%0.258SS*.THydrogen-bonded Turntrans-99.43179.7-63.3-174.8179.4-178.80113.8L192L192-K194 PolarHBondContact O-N 2.75Å; L192-K194 VanDerWaalsContact O-N 3.12Å
195V98.2Very high98.1Very high36 Ų3649.1 Ų49.122%0.21824%0.237CC..SBendtrans-125153.8177.4-64.50000109.6L192 V197 T211L192-V195 HydrophobicContact CB-CG2 4.2Å; L192-V195 HydrophobicContact CD2-CG2 3.98Å; L192-V195 VanDerWaalsContact O-CG2 3.29Å; L192-V195 WeakPolarHBondContact O-CG2 3.39Å; L192-V195 PolarHBondContact O-N 3.35Å; L192-V195 VanDerWaalsContact O-O 3.1Å; V195-V197 HydrophobicContact CG2-CG2 4.31Å; V195-T211 HydrophobicContact CB-CG2 3.73Å; V195-T211 HydrophobicContact CG1-CG2 4.33Å; V195-T211 HydrophobicContact CG2-CG2 3.71Å
196I98.6Very high98.1Very high88 Ų8845.4 Ų45.445%0.45121%0.214SC..  trans-95.6111.6175.6-60.6175.5000107.4T211 D212I196-T211 CarbonylContact O-C 3.47Å; I196-T211 WeakPolarHBondContact O-CA 3.42Å; I196-T211 WeakPolarHBondContact O-CB 3.2Å; I196-D212 HydrophobicContact CB-CB 4.26Å; I196-D212 HydrophobicContact CG2-CB 4.25Å; I196-D212 PolarHBondContact O-N 2.77Å
197V98.9Very high98.1Very high0 Ų044.6 Ų44.60%021%0.209CC..EExtended strand (participates in β ladder)trans-83.4135.3176.8-178.90000110.2R158 G162 V164 L192 V195 T199 I200 A209 V210R158-V197 VanDerWaalsContact CD-O 3.31Å; R158-V197 WeakPolarHBondContact CD-O 3.3Å; R158-V197 HydrophobicContact CG-CG1 4.47Å; R158-V197 PolarHBondContact NH1-O 2.92Å; G162-V197 VanDerWaalsContact CA-O 3.28Å; G162-V197 WeakPolarHBondContact CA-O 3.34Å; G162-V197 VanDerWaalsContact O-CB 3.29Å; G162-V197 WeakPolarHBondContact O-CB 3.43Å; G162-V197 PolarHBondContact O-N 3.48Å; V164-V197 HydrophobicContact CG2-CB 3.68Å; V164-V197 HydrophobicContact CG2-CG1 3.75Å; V164-V197 HydrophobicContact CG2-CG2 3.61Å; L192-V197 HydrophobicContact CB-CG2 4.48Å; L192-V197 HydrophobicContact CD1-CG2 4.39Å; V195-V197 HydrophobicContact CG2-CG2 4.31Å; V197-T199 VanDerWaalsContact CG1-O 3.3Å; V197-T199 WeakPolarHBondContact CG1-O 3.47Å; V197-I200 HydrophobicContact CG1-CG2 3.79Å; V197-A209 HydrophobicContact CG1-CB 4.02Å; V197-A209 HydrophobicContact CG2-CB 4.45Å; V197-V210 CarbonylContact C-O 3.51Å; V197-V210 WeakPolarHBondContact CA-O 3.21Å; V197-V210 VanDerWaalsContact CG1-O 3.29Å; V197-V210 WeakPolarHBondContact CG1-O 3.4Å
198T98.6Very high98.1Very high54 Ų5440.3 Ų40.333%0.33119%0.189SC..EExtended strand (participates in β ladder)trans-108.2-29179.7530000113.7R158 V210 T211 D212R158-T198 PolarHBondContact NE-O 3.23Å; R158-T198 VanDerWaalsContact NE-O 3.14Å; R158-T198 PolarHBondContact NH1-O 3.39Å; R158-T198 PolarHBondContact NH2-O 2.85Å; R158-T198 VanDerWaalsContact NH2-O 3.1Å; T198-V210 PolarHBondContact N-O 2.7Å; T198-V210 PolarHBondContact OG1-O 2.69Å; T198-T211 PolarHBondContact OG1-O 2.8Å; T198-D212 VanDerWaalsContact CG2-CA 3.46Å; T198-D212 HydrophobicContact CG2-CB 3.73Å
199T98.5Very high98.1Very high13 Ų1336.5 Ų36.58%0.0818%0.175CC..EExtended strand (participates in β ladder)trans-144.7151.5171.4-167.20000112.3Q147 V197 A209 V210 V253Q147-T199 PolarHBondContact NE2-OG1 2.81Å; Q147-T199 VanDerWaalsContact NE2-OG1 3.11Å; V197-T199 VanDerWaalsContact CG1-O 3.3Å; V197-T199 WeakPolarHBondContact CG1-O 3.47Å; T199-A209 WeakPolarHBondContact O-CA 3.41Å; T199-V210 HydrophobicContact CG2-CB 3.55Å; T199-V210 HydrophobicContact CG2-CG1 4.46Å; T199-V210 HydrophobicContact CG2-CG2 3.61Å; T199-V210 PolarHBondContact N-O 2.9Å; T199-V210 PolarHBondContact O-N 2.85Å; T199-V253 HydrophobicContact CG2-CG1 4.36Å
200I98.8Very high98.2Very high4 Ų436.5 Ų36.52%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-130.9145.6177.349.8164.3000110.6Q147 L156 R158 V164 V197 G208 A209Q147-I200 HydrophobicContact CB-CG1 4.41Å; Q147-I200 HydrophobicContact CG-CD1 4.43Å; Q147-I200 HydrophobicContact CG-CG1 4Å; Q147-I200 PolarHBondContact NE2-O 2.98Å; L156-I200 HydrophobicContact CB-CD1 3.69Å; L156-I200 HydrophobicContact CD1-CB 4.41Å; R158-I200 HydrophobicContact CB-CD1 3.91Å; R158-I200 HydrophobicContact CB-CG1 4.15Å; R158-I200 HydrophobicContact CB-CG2 4.44Å; V164-I200 HydrophobicContact CG1-CG2 4.07Å; V164-I200 HydrophobicContact CG2-CG2 3.92Å; V197-I200 HydrophobicContact CG1-CG2 3.79Å; I200-G208 CarbonylContact C-O 3.52Å; I200-G208 WeakPolarHBondContact CA-O 3.37Å; I200-A209 HydrophobicContact CG2-CB 4.32Å
201S98.7Very high98.2Very high10 Ų1031.4 Ų31.47%0.0715%0.151CC..EExtended strand (participates in β ladder)trans-137.7125.5173.3-179.40000111.3S149 C207 G208 V253 C255S149-S201 WeakPolarHBondContact OG-CA 3.36Å; S201-C207 CarbonylContact O-C 3.51Å; S201-C207 VanDerWaalsContact O-CA 3.31Å; S201-C207 WeakPolarHBondContact O-CA 3.31Å; S201-G208 PolarHBondContact N-O 2.63Å; S201-G208 PolarHBondContact O-N 3.07Å; S201-V253 VanDerWaalsContact CB-O 3.31Å; S201-V253 WeakPolarHBondContact CB-O 3.24Å; S201-C255 WeakPolarHBondContact OG-CB 3.28Å; S201-C255 PolarHBondContact OG-N 3.44Å
202A98.2Very high98.2Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-104.5117.8174.200000110.3S149 F154 L156S149-A202 VanDerWaalsContact O-CB 3.24Å; S149-A202 WeakPolarHBondContact O-CB 3.36Å; S149-A202 PolarHBondContact OG-N 2.85Å; F154-A202 HydrophobicContact CD2-CB 4.45Å; F154-A202 HydrophobicContact CE2-CB 3.6Å; F154-A202 HydrophobicContact CZ-CB 3.86Å; L156-A202 HydrophobicContact CD1-CB 4.09Å; L156-A202 HydrophobicContact CG-CB 4.11Å
203G96.9Very high98.1Very high0 Ų032.7 Ų32.70%017%0.169CC..  trans-95.5-152.3176.100000113G151 H152 F154 H206 S256G151-G203 CarbonylContact C-O 3.5Å; G151-G203 WeakPolarHBondContact CA-O 3.19Å; H152-G203 PolarHBondContact N-O 3.03Å; F154-G203 WeakPolarHBondContact CE1-O 3.48Å; G203-H206 WeakPolarHBondContact CA-O 3.4Å; G203-H206 PolarHBondContact N-O 2.97Å; G203-S256 CarbonylContact C-O 3.35Å; G203-S256 VanDerWaalsContact CA-O 3.24Å; G203-S256 WeakPolarHBondContact CA-O 3.35Å
204Y95.7Very high98.1Very high63 Ų6331.4 Ų31.425%0.24716%0.158CC..SBendtrans-70.5-49.5174.8175-99.8000112.7H152 S256 G258H152-Y204 HydrophobicContact CB-CD2 3.74Å; H152-Y204 HydrophobicContact CB-CE2 4.32Å; H152-Y204 HydrophobicContact CB-CG 4.39Å; H152-Y204 AromaticContact CD2-CD2 3.49Å; H152-Y204 VanDerWaalsContact CD2-CD2 3.49Å; H152-Y204 WeakPolarHBondContact CD2-CD2 3.43Å; H152-Y204 AromaticContact CD2-CE2 3.55Å; H152-Y204 AromaticContact CG-CD2 3.63Å; H152-Y204 AromaticContact CG-CE2 3.76Å; H152-Y204 AromaticContact NE2-CE2 3.89Å; Y204-S256 PolarHBondContact N-O 2.9Å; Y204-G258 WeakPolarHBondContact CB-O 3.41Å; Y204-G258 VanDerWaalsContact CD1-O 3.31Å; Y204-G258 WeakPolarHBondContact CD1-O 3.42Å; Y204-G258 WeakPolarHBondContact CD2-O 3.28Å
205A96.9Very high98.2Very high3 Ų324.3 Ų24.33%0.02513%0.127CC..SBendtrans-146.620.2-176.100000112.6Y172 V174 K221Y172-A205 HydrophobicContact CD2-CB 3.82Å; Y172-A205 HydrophobicContact CE2-CB 4.09Å; V174-A205 HydrophobicContact CG1-CB 4.46Å; V174-A205 WeakPolarHBondContact CG1-O 3.42Å; A205-K221 HydrophobicContact CB-CB 3.78Å; A205-K221 HydrophobicContact CB-CD 3.91Å; A205-K221 HydrophobicContact CB-CG 4.49Å; A205-K221 WeakPolarHBondContact O-CB 3.47Å; A205-K221 PolarHBondContact O-N 3.35Å
206H98.1Very high98.3Very high1 Ų122.7 Ų22.71%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-148.115917565.6-74000110.1G203 F219 L227 C255 H263 T264G203-H206 WeakPolarHBondContact CA-O 3.4Å; G203-H206 PolarHBondContact N-O 2.97Å; H206-F219 CarbonylContact C-O 3.55Å; H206-F219 VanDerWaalsContact CA-O 3.3Å; H206-F219 WeakPolarHBondContact CA-O 3.36Å; H206-L227 HydrophobicContact CB-CD2 3.72Å; H206-C255 VanDerWaalsContact CD2-SG 3.54Å; H206-C255 WeakPolarHBondContact NE2-CA 3.32Å; H206-C255 WeakPolarHBondContact NE2-CB 3.45Å; H206-H263 PolarHBondContact NE2-O 2.84Å; H206-T264 PolarHBondContact CD2-OG1 2.74Å; H206-T264 VanDerWaalsContact CD2-OG1 3.24Å; H206-T264 PolarHBondContact NE2-OG1 2.88Å
207C98.7Very high98.3Very high0 Ų020.2 Ų20.20%010%0.102CC..EExtended strand (participates in β ladder)trans-133.5146.1-173-60.50000110.2F154 L156 V174 S201 M218 F219F154-C207 WeakPolarHBondContact CE2-SG 3.05Å; F154-C207 WeakPolarHBondContact CZ-SG 3.49Å; L156-C207 HydrophobicContact CD1-CB 4.01Å; V174-C207 PolarHBondContact O-SG 3.28Å; S201-C207 CarbonylContact O-C 3.51Å; S201-C207 VanDerWaalsContact O-CA 3.31Å; S201-C207 WeakPolarHBondContact O-CA 3.31Å; C207-M218 VanDerWaalsContact O-CA 3.31Å; C207-M218 WeakPolarHBondContact O-CA 3.48Å; C207-F219 HydrophobicContact CB-CD1 3.86Å; C207-F219 HydrophobicContact CB-CD2 3.89Å; C207-F219 HydrophobicContact CB-CE1 3.47Å; C207-F219 VanDerWaalsContact CB-CE1 3.47Å; C207-F219 HydrophobicContact CB-CE2 3.53Å; C207-F219 HydrophobicContact CB-CG 4.06Å; C207-F219 HydrophobicContact CB-CZ 3.3Å; C207-F219 PolarHBondContact N-O 3.21Å; C207-F219 PolarHBondContact O-N 3.13Å; C207-F219 VanDerWaalsContact O-N 3.1Å
208G98.8Very high98.3Very high0 Ų020.2 Ų20.20%010%0.102CC..EExtended strand (participates in β ladder)trans-123.3141.4170.900000111.1I200 S201 Y217 M218 C255I200-G208 CarbonylContact C-O 3.52Å; I200-G208 WeakPolarHBondContact CA-O 3.37Å; S201-G208 PolarHBondContact N-O 2.63Å; S201-G208 PolarHBondContact O-N 3.07Å; G208-Y217 CarbonylContact C-O 3.53Å; G208-Y217 WeakPolarHBondContact CA-O 3.49Å; G208-M218 VanDerWaalsContact CA-SD 3.5Å; G208-C255 PolarHBondContact N-SG 2.8Å; G208-C255 VanDerWaalsContact N-SG 3.39Å
209A98.9Very high98.3Very high1 Ų117.6 Ų17.61%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-135.2125.8171.100000109.1L192 V197 T199 I200 Y217L192-A209 HydrophobicContact CD1-CB 3.99Å; V197-A209 HydrophobicContact CG1-CB 4.02Å; V197-A209 HydrophobicContact CG2-CB 4.45Å; T199-A209 WeakPolarHBondContact O-CA 3.41Å; I200-A209 HydrophobicContact CG2-CB 4.32Å; A209-Y217 PolarHBondContact N-O 3.32Å; A209-Y217 PolarHBondContact O-N 2.76Å
210V98.9Very high98.3Very high0 Ų017 Ų170%08%0.083CC..EExtended strand (participates in β ladder)trans-106.6134.1178.4-178.40000108.8V197 T198 T199 F215 L216 V250 V253V197-V210 CarbonylContact C-O 3.51Å; V197-V210 WeakPolarHBondContact CA-O 3.21Å; V197-V210 VanDerWaalsContact CG1-O 3.29Å; V197-V210 WeakPolarHBondContact CG1-O 3.4Å; T198-V210 PolarHBondContact N-O 2.7Å; T198-V210 PolarHBondContact OG1-O 2.69Å; T199-V210 HydrophobicContact CG2-CB 3.55Å; T199-V210 HydrophobicContact CG2-CG1 4.46Å; T199-V210 HydrophobicContact CG2-CG2 3.61Å; T199-V210 PolarHBondContact N-O 2.9Å; T199-V210 PolarHBondContact O-N 2.85Å; V210-F215 WeakPolarHBondContact CA-O 3.38Å; V210-L216 HydrophobicContact CG2-CD1 3.74Å; V210-V250 HydrophobicContact CG1-CB 4.15Å; V210-V250 HydrophobicContact CG1-CG1 4.1Å; V210-V250 WeakPolarHBondContact CG1-O 3.33Å; V210-V250 HydrophobicContact CG2-CG1 3.76Å; V210-V253 HydrophobicContact CG2-CB 3.96Å; V210-V253 HydrophobicContact CG2-CG1 3.69Å
211T98.7Very high98.2Very high1 Ų117.8 Ų17.81%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-88.2167.5178.355.10000112.5V195 I196 T198 N213 G214 F215 Y217V195-T211 HydrophobicContact CB-CG2 3.73Å; V195-T211 HydrophobicContact CG1-CG2 4.33Å; V195-T211 HydrophobicContact CG2-CG2 3.71Å; I196-T211 CarbonylContact O-C 3.47Å; I196-T211 WeakPolarHBondContact O-CA 3.42Å; I196-T211 WeakPolarHBondContact O-CB 3.2Å; T198-T211 PolarHBondContact OG1-O 2.8Å; T211-N213 VanDerWaalsContact C-N 3.29Å; T211-N213 WeakPolarHBondContact CB-OD1 3.5Å; T211-N213 PolarHBondContact O-N 3.07Å; T211-N213 PolarHBondContact OG1-OD1 3.49Å; T211-G214 WeakPolarHBondContact O-CA 3.17Å; T211-G214 PolarHBondContact O-N 3.49Å; T211-F215 PolarHBondContact N-O 3.3Å; T211-F215 WeakPolarHBondContact OG1-CA 3.19Å; T211-F215 WeakPolarHBondContact OG1-CB 3.45Å; T211-F215 PolarHBondContact OG1-N 3.33Å; T211-F215 PolarHBondContact OG1-O 2.86Å; T211-F215 VanDerWaalsContact OG1-O 3.12Å; T211-Y217 HydrophobicContact CG2-CD2 4.03Å; T211-Y217 HydrophobicContact CG2-CE2 3.75Å
212D98.2Very high98.1Very high94 Ų9417.4 Ų17.450%0.5038%0.083SC..THydrogen-bonded Turntrans-61.7-32.7176.365.7-24.7000114.1I196 T198 G214I196-D212 HydrophobicContact CB-CB 4.26Å; I196-D212 HydrophobicContact CG2-CB 4.25Å; I196-D212 PolarHBondContact O-N 2.77Å; T198-D212 VanDerWaalsContact CG2-CA 3.46Å; T198-D212 HydrophobicContact CG2-CB 3.73Å; D212-G214 PolarHBondContact O-N 2.94Å
213N97.6Very high98Very high80 Ų8022.1 Ų22.143%0.42811%0.109SC..THydrogen-bonded Turntrans-82.14.2170.861.812.3000113.8T211 F215T211-N213 VanDerWaalsContact C-N 3.29Å; T211-N213 WeakPolarHBondContact CB-OD1 3.5Å; T211-N213 PolarHBondContact O-N 3.07Å; T211-N213 PolarHBondContact OG1-OD1 3.49Å; N213-F215 HydrophobicContact CB-CE2 4.47Å; N213-F215 VanDerWaalsContact CG-CD2 3.4Å; N213-F215 WeakPolarHBondContact ND2-CD2 3.45Å; N213-F215 WeakPolarHBondContact ND2-CE2 3.3Å; N213-F215 WeakPolarHBondContact OD1-CD2 3.19Å
214G98.3Very high97.9Very high1 Ų123 Ų231%0.0111%0.114CC..  trans81.617.9171.700000116T211 D212 V250T211-G214 WeakPolarHBondContact O-CA 3.17Å; T211-G214 PolarHBondContact O-N 3.49Å; D212-G214 PolarHBondContact O-N 2.94Å; G214-V250 WeakPolarHBondContact CA-O 3.39Å; G214-V250 WeakPolarHBondContact O-CB 3.27Å; G214-V250 PolarHBondContact O-N 3.2Å
215F98.6Very high97.9Very high61 Ų6120.1 Ų20.127%0.26810%0.103SC..  trans-80.4135.2171.2-59.6-46.3000111.2V210 T211 N213 Y217 W241V210-F215 WeakPolarHBondContact CA-O 3.38Å; T211-F215 PolarHBondContact N-O 3.3Å; T211-F215 WeakPolarHBondContact OG1-CA 3.19Å; T211-F215 WeakPolarHBondContact OG1-CB 3.45Å; T211-F215 PolarHBondContact OG1-N 3.33Å; T211-F215 PolarHBondContact OG1-O 2.86Å; T211-F215 VanDerWaalsContact OG1-O 3.12Å; N213-F215 HydrophobicContact CB-CE2 4.47Å; N213-F215 VanDerWaalsContact CG-CD2 3.4Å; N213-F215 WeakPolarHBondContact ND2-CD2 3.45Å; N213-F215 WeakPolarHBondContact ND2-CE2 3.3Å; N213-F215 WeakPolarHBondContact OD1-CD2 3.19Å; F215-Y217 HydrophobicContact CB-CE2 4.09Å; F215-W241 AromaticContact CD1-CE2 3.9Å; F215-W241 AromaticContact CD1-CZ2 3.79Å; F215-W241 HydrophobicContact CD1-CZ2 3.79Å; F215-W241 AromaticContact CD1-NE1 3.67Å; F215-W241 AromaticContact CE1-CZ2 3.76Å; F215-W241 HydrophobicContact CE1-CZ2 3.76Å; F215-W241 HydrophobicContact CG-CZ2 4.39Å; F215-W241 AromaticContact CG-NE1 3.91Å; F215-W241 HydrophobicContact CZ-CZ2 4.33Å
216L98.8Very high97.9Very high2 Ų220 Ų201%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-97.3124.4176.217763000111.1V210 M218 V242 L245 V250 V253 A266 W276V210-L216 HydrophobicContact CG2-CD1 3.74Å; L216-M218 HydrophobicContact CD1-CG 4.5Å; L216-M218 HydrophobicContact CD1-SD 3.84Å; L216-M218 HydrophobicContact CD2-CG 4.26Å; L216-M218 HydrophobicContact CD2-SD 4.07Å; L216-M218 HydrophobicContact CG-CG 4.11Å; L216-M218 HydrophobicContact CG-SD 4.03Å; L216-V242 HydrophobicContact CD2-CG2 4.38Å; L216-V242 HydrophobicContact CG-CG2 4.25Å; L216-V242 PolarHBondContact O-N 3.23Å; L216-L245 HydrophobicContact CD2-CD1 3.98Å; L216-V250 HydrophobicContact CB-CG2 4.26Å; L216-V253 HydrophobicContact CD1-CB 3.93Å; L216-V253 HydrophobicContact CD1-CG1 4.07Å; L216-V253 HydrophobicContact CD1-CG2 3.82Å; L216-V253 HydrophobicContact CD2-CG2 4.35Å; L216-A266 HydrophobicContact CD2-CB 4.25Å; L216-W276 HydrophobicContact CD2-CH2 3.56Å; L216-W276 HydrophobicContact CD2-CZ2 3.81Å
217Y98.9Very high97.9Very high36 Ų3620.1 Ų20.114%0.14110%0.103CC..EExtended strand (participates in β ladder)trans-105.7135.1169.5-69.5-104.6000110.2L192 G208 A209 T211 F215 P239 C240 W241L192-Y217 HydrophobicContact CD2-CD1 3.96Å; L192-Y217 HydrophobicContact CD2-CD2 4.24Å; L192-Y217 HydrophobicContact CD2-CE1 4.41Å; L192-Y217 HydrophobicContact CD2-CG 3.87Å; G208-Y217 CarbonylContact C-O 3.53Å; G208-Y217 WeakPolarHBondContact CA-O 3.49Å; A209-Y217 PolarHBondContact N-O 3.32Å; A209-Y217 PolarHBondContact O-N 2.76Å; T211-Y217 HydrophobicContact CG2-CD2 4.03Å; T211-Y217 HydrophobicContact CG2-CE2 3.75Å; F215-Y217 HydrophobicContact CB-CE2 4.09Å; Y217-P239 HydrophobicContact CD1-CB 4.19Å; Y217-C240 CarbonylContact C-O 3.54Å; Y217-C240 VanDerWaalsContact CA-O 3.27Å; Y217-C240 WeakPolarHBondContact CA-O 3.28Å; Y217-W241 HydrophobicContact CD1-CB 4.09Å; Y217-W241 HydrophobicContact CE1-CB 3.77Å
218M98.8Very high97.9Very high0 Ų020.2 Ų20.20%010%0.103CC..EExtended strand (participates in β ladder)trans-125.1145.4177.9-61.4-64.5-67.100110.9C207 G208 L216 L227 F229 C240 V242 V253 T264 W276C207-M218 VanDerWaalsContact O-CA 3.31Å; C207-M218 WeakPolarHBondContact O-CA 3.48Å; G208-M218 VanDerWaalsContact CA-SD 3.5Å; L216-M218 HydrophobicContact CD1-CG 4.5Å; L216-M218 HydrophobicContact CD1-SD 3.84Å; L216-M218 HydrophobicContact CD2-CG 4.26Å; L216-M218 HydrophobicContact CD2-SD 4.07Å; L216-M218 HydrophobicContact CG-CG 4.11Å; L216-M218 HydrophobicContact CG-SD 4.03Å; M218-L227 HydrophobicContact CB-CB 4.42Å; M218-L227 HydrophobicContact CB-CD2 4.17Å; M218-F229 HydrophobicContact CB-CE2 4.25Å; M218-F229 HydrophobicContact CB-CZ 4.26Å; M218-C240 PolarHBondContact N-O 3.05Å; M218-C240 PolarHBondContact O-N 3.17Å; M218-V242 HydrophobicContact CB-CG2 3.95Å; M218-V242 HydrophobicContact CG-CG2 3.38Å; M218-V253 HydrophobicContact SD-CG2 4.35Å; M218-T264 HydrophobicContact CE-CG2 3.81Å; M218-T264 WeakPolarHBondContact CE-OG1 3.15Å; M218-T264 HydrophobicContact SD-CG2 4.38Å; M218-W276 HydrophobicContact CE-CZ2 4.5Å; M218-W276 HydrophobicContact SD-CZ2 4.5Å
219F98.8Very high97.9Very high0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-154.7164.4175.856-74.8000112.8L156 V174 I189 H206 C207 L227 K236 P239L156-F219 HydrophobicContact CD2-CZ 4.43Å; V174-F219 WeakPolarHBondContact O-CE2 3.29Å; I189-F219 HydrophobicContact CD1-CE2 4.26Å; I189-F219 HydrophobicContact CD1-CZ 3.87Å; H206-F219 CarbonylContact C-O 3.55Å; H206-F219 VanDerWaalsContact CA-O 3.3Å; H206-F219 WeakPolarHBondContact CA-O 3.36Å; C207-F219 HydrophobicContact CB-CD1 3.86Å; C207-F219 HydrophobicContact CB-CD2 3.89Å; C207-F219 HydrophobicContact CB-CE1 3.47Å; C207-F219 VanDerWaalsContact CB-CE1 3.47Å; C207-F219 HydrophobicContact CB-CE2 3.53Å; C207-F219 HydrophobicContact CB-CG 4.06Å; C207-F219 HydrophobicContact CB-CZ 3.3Å; C207-F219 PolarHBondContact N-O 3.21Å; C207-F219 PolarHBondContact O-N 3.13Å; C207-F219 VanDerWaalsContact O-N 3.1Å; F219-L227 WeakPolarHBondContact O-CD2 3.15Å; F219-K236 HydrophobicContact CB-CB 4.34Å; F219-K236 WeakPolarHBondContact CB-O 3.47Å; F219-P239 HydrophobicContact CD1-CB 3.92Å; F219-P239 HydrophobicContact CD1-CG 3.7Å; F219-P239 HydrophobicContact CE1-CB 4.35Å; F219-P239 HydrophobicContact CE1-CG 3.86Å; F219-P239 HydrophobicContact CG-CG 4.11Å; F219-P239 HydrophobicContact CZ-CG 4.36Å
220G98.4Very high97.8Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans111.6-146.2-175.700000113.6Y172 N235 K236Y172-G220 CarbonylContact O-C 3.5Å; Y172-G220 VanDerWaalsContact O-C 3.23Å; Y172-G220 WeakPolarHBondContact O-CA 3.47Å; G220-N235 CarbonylContact O-C 3.24Å; G220-N235 VanDerWaalsContact O-CA 3.24Å; G220-N235 WeakPolarHBondContact O-CA 3.14Å; G220-K236 PolarHBondContact N-O 3.05Å; G220-K236 PolarHBondContact O-N 2.91Å
221K97.8Very high97.6Very high21 Ų2128.9 Ų28.99%0.09115%0.153CC..  trans-66.5129.5-177.1-176.6175.7169.4179.60111.7Y172 A205 D223 L227 N235 G260Y172-K221 HydrophobicContact CD1-CB 4.33Å; Y172-K221 HydrophobicContact CD1-CD 4.36Å; Y172-K221 HydrophobicContact CD1-CG 4.2Å; Y172-K221 HydrophobicContact CD2-CB 4.1Å; Y172-K221 HydrophobicContact CD2-CD 4.21Å; Y172-K221 HydrophobicContact CD2-CG 4.47Å; Y172-K221 HydrophobicContact CE1-CD 4.23Å; Y172-K221 HydrophobicContact CE1-CG 4.49Å; Y172-K221 HydrophobicContact CE2-CD 4.04Å; Y172-K221 HydrophobicContact CG-CB 3.84Å; Y172-K221 HydrophobicContact CG-CD 4.35Å; Y172-K221 HydrophobicContact CG-CG 4.18Å; A205-K221 HydrophobicContact CB-CB 3.78Å; A205-K221 HydrophobicContact CB-CD 3.91Å; A205-K221 HydrophobicContact CB-CG 4.49Å; A205-K221 WeakPolarHBondContact O-CB 3.47Å; A205-K221 PolarHBondContact O-N 3.35Å; K221-D223 VanDerWaalsContact CE-CG 3.4Å; K221-D223 WeakPolarHBondContact CE-OD1 3.37Å; K221-D223 WeakPolarHBondContact CE-OD2 3.37Å; K221-D223 VanDerWaalsContact CG-OD1 3.27Å; K221-D223 WeakPolarHBondContact CG-OD1 3.1Å; K221-D223 IonicContact NZ-OD1 3.83Å; K221-D223 IonicContact NZ-OD2 3.68Å; K221-L227 VanDerWaalsContact O-CG 3.28Å; K221-L227 WeakPolarHBondContact O-CG 3.4Å; K221-N235 WeakPolarHBondContact CA-OD1 3.24Å; K221-G260 PolarHBondContact NZ-O 3.21Å
222G96.8Very high97.6Very high1 Ų131.8 Ų31.81%0.0117%0.169CC..  trans-106.2-22.7-173.700000116.7D224 G225 L233 N235G222-D224 VanDerWaalsContact C-N 3.26Å; G222-D224 PolarHBondContact O-N 3.37Å; G222-G225 PolarHBondContact O-N 3.09Å; G222-G225 VanDerWaalsContact O-N 3.09Å; G222-L233 CarbonylContact C-O 3.58Å; G222-L233 WeakPolarHBondContact CA-O 3.47Å; G222-L233 WeakPolarHBondContact O-CD2 3.41Å; G222-N235 PolarHBondContact N-OD1 3.26Å; G222-N235 VanDerWaalsContact N-OD1 3.08Å
223D96Very high97.5Very high100 Ų10030.9 Ų30.954%0.53516%0.164SC..THydrogen-bonded Turntrans-68.9-15.7-169.466.2-8.8000115K221 L233K221-D223 VanDerWaalsContact CE-CG 3.4Å; K221-D223 WeakPolarHBondContact CE-OD1 3.37Å; K221-D223 WeakPolarHBondContact CE-OD2 3.37Å; K221-D223 VanDerWaalsContact CG-OD1 3.27Å; K221-D223 WeakPolarHBondContact CG-OD1 3.1Å; K221-D223 IonicContact NZ-OD1 3.83Å; K221-D223 IonicContact NZ-OD2 3.68Å; D223-L233 PolarHBondContact N-O 3.1Å
224D93.7Very high97.5Very high19 Ų1934.7 Ų34.710%0.10218%0.176CC..THydrogen-bonded Turntrans-93.3-1.6175.56118.5000113.5G222 A226 K261 G262G222-D224 VanDerWaalsContact C-N 3.26Å; G222-D224 PolarHBondContact O-N 3.37Å; D224-A226 PolarHBondContact O-N 3.48Å; D224-A226 WeakPolarHBondContact OD1-CB 3.24Å; D224-A226 PolarHBondContact OD1-N 3.31Å; D224-K261 HydrophobicContact CB-CB 4.46Å; D224-G262 WeakPolarHBondContact OD2-CA 3.46Å; D224-G262 PolarHBondContact OD2-N 3.26Å
225G96.3Very high97.5Very high2 Ų237.2 Ų37.22%0.02119%0.19CC..SBendtrans75.12.8-178.600000114.5G222 L227 G228G222-G225 PolarHBondContact O-N 3.09Å; G222-G225 VanDerWaalsContact O-N 3.09Å; G225-L227 PolarHBondContact O-N 3.32Å; G225-L227 VanDerWaalsContact O-N 3.09Å; G225-G228 PolarHBondContact O-N 3.39Å; G225-G228 VanDerWaalsContact O-N 3.16Å
226A97.4Very high97.5Very high0 Ų036 Ų360%019%0.185CC..THydrogen-bonded Turntrans-67.5-9.9-175.700000113.9D224 T264 W276D224-A226 PolarHBondContact O-N 3.48Å; D224-A226 WeakPolarHBondContact OD1-CB 3.24Å; D224-A226 PolarHBondContact OD1-N 3.31Å; A226-T264 PolarHBondContact O-OG1 3.44Å; A226-W276 PolarHBondContact O-NE1 3.49Å
227L98.3Very high97.5Very high4 Ų438.7 Ų38.72%0.02120%0.199CC..THydrogen-bonded Turntrans-85.1-17.7175.4-56.4-176.2000114.1H206 M218 F219 K221 G225 F229 K236H206-L227 HydrophobicContact CB-CD2 3.72Å; M218-L227 HydrophobicContact CB-CB 4.42Å; M218-L227 HydrophobicContact CB-CD2 4.17Å; F219-L227 WeakPolarHBondContact O-CD2 3.15Å; K221-L227 VanDerWaalsContact O-CG 3.28Å; K221-L227 WeakPolarHBondContact O-CG 3.4Å; G225-L227 PolarHBondContact O-N 3.32Å; G225-L227 VanDerWaalsContact O-N 3.09Å; L227-F229 HydrophobicContact CB-CD2 3.48Å; L227-F229 VanDerWaalsContact CB-CD2 3.48Å; L227-F229 HydrophobicContact CB-CE2 3.62Å; L227-F229 HydrophobicContact CD1-CD2 4.34Å; L227-F229 HydrophobicContact CD1-CE2 4.33Å; L227-K236 HydrophobicContact CD1-CB 3.99Å; L227-K236 HydrophobicContact CD1-CG 3.58Å
228G98.1Very high97.5Very high1 Ų140.6 Ų40.61%0.0121%0.209CC..  trans78.522.5174.100000115.7G225 W276 T293G225-G228 PolarHBondContact O-N 3.39Å; G225-G228 VanDerWaalsContact O-N 3.16Å; G228-W276 VanDerWaalsContact CA-CD1 3.48Å; G228-T293 CarbonylContact C-O 3.56Å; G228-T293 WeakPolarHBondContact CA-O 3.24Å
229F98.1Very high97.5Very high38 Ų3840.7 Ų40.717%0.16721%0.209CC..  trans-96.717.5-178.1-62.3-62.6000114.7M218 L227 T231 D232 K236 C240 W241 V242 T293M218-F229 HydrophobicContact CB-CE2 4.25Å; M218-F229 HydrophobicContact CB-CZ 4.26Å; L227-F229 HydrophobicContact CB-CD2 3.48Å; L227-F229 VanDerWaalsContact CB-CD2 3.48Å; L227-F229 HydrophobicContact CB-CE2 3.62Å; L227-F229 HydrophobicContact CD1-CD2 4.34Å; L227-F229 HydrophobicContact CD1-CE2 4.33Å; F229-T231 PolarHBondContact O-N 2.88Å; F229-D232 HydrophobicContact CB-CB 4.18Å; F229-D232 PolarHBondContact O-N 3.45Å; F229-K236 HydrophobicContact CD2-CG 4.05Å; F229-K236 HydrophobicContact CE2-CD 4.44Å; F229-K236 HydrophobicContact CE2-CG 3.75Å; F229-C240 HydrophobicContact CE1-CB 4.2Å; F229-C240 HydrophobicContact CE2-CB 4.09Å; F229-C240 HydrophobicContact CZ-CB 3.54Å; F229-C240 WeakPolarHBondContact CZ-O 3.15Å; F229-W241 WeakPolarHBondContact CE1-O 3.19Å; F229-V242 HydrophobicContact CE1-CB 4.48Å; F229-V242 HydrophobicContact CE1-CG2 4.04Å; F229-V242 HydrophobicContact CZ-CG2 4.01Å; F229-T293 PolarHBondContact N-O 2.84Å
230G96.3Very high97.5Very high2 Ų242.4 Ų42.42%0.02122%0.221CC..THydrogen-bonded Turntrans70.7-119.8174.700000112.8D232 T293 E294G230-D232 VanDerWaalsContact C-N 3.27Å; G230-T293 WeakPolarHBondContact CA-O 3.49Å; G230-T293 WeakPolarHBondContact CA-OG1 3.22Å; G230-T293 PolarHBondContact N-O 2.98Å; G230-T293 WeakPolarHBondContact O-CB 3.27Å; G230-T293 PolarHBondContact O-OG1 2.87Å; G230-E294 WeakPolarHBondContact CA-OE1 3.38Å
231T96.3Very high97.5Very high143 Ų14345.8 Ų45.888%0.87723%0.234SC*.THydrogen-bonded Turntrans-77.4-13.7179.653.90000113F229 L233F229-T231 PolarHBondContact O-N 2.88Å; T231-L233 PolarHBondContact O-N 3.38Å; T231-L233 VanDerWaalsContact O-N 3.1Å
232D97.6Very high97.5Very high63 Ų6344.9 Ų44.934%0.33723%0.23SC..  trans-82.286.2175.7-173.4-1.1000111F229 G230 K234 K236F229-D232 HydrophobicContact CB-CB 4.18Å; F229-D232 PolarHBondContact O-N 3.45Å; G230-D232 VanDerWaalsContact C-N 3.27Å; D232-K234 VanDerWaalsContact C-N 3.32Å; D232-K234 WeakPolarHBondContact OD1-CB 3.15Å; D232-K234 PolarHBondContact OD1-N 3.43Å; D232-K236 IonicContact OD1-NZ 3.59Å; D232-K236 PolarHBondContact OD1-NZ 3.39Å; D232-K236 IonicContact OD2-NZ 2.7Å; D232-K236 PolarHBondContact OD2-NZ 3.33Å
233L97Very high97.5Very high74 Ų7450.1 Ų50.139%0.38725%0.254SS..  trans-91.917.7-179.1-60.4179.9000113.4G222 D223 T231 T293G222-L233 CarbonylContact C-O 3.58Å; G222-L233 WeakPolarHBondContact CA-O 3.47Å; G222-L233 WeakPolarHBondContact O-CD2 3.41Å; D223-L233 PolarHBondContact N-O 3.1Å; T231-L233 PolarHBondContact O-N 3.38Å; T231-L233 VanDerWaalsContact O-N 3.1Å; L233-T293 HydrophobicContact CD2-CG2 3.84Å
234K98.1Very high97.5Very high160 Ų16052.1 Ų52.170%0.69625%0.254SS*.SBendtrans-76.5148.3177-61.6179.9-177.11770110.5D232 K236D232-K234 VanDerWaalsContact C-N 3.32Å; D232-K234 WeakPolarHBondContact OD1-CB 3.15Å; D232-K234 PolarHBondContact OD1-N 3.43Å; K234-K236 PolarHBondContact O-N 3.41Å
235N98.4Very high97.8Very high55 Ų5551.5 Ų51.529%0.29425%0.25SS..  trans-55.9139.7169.1-62.9-13.1000109.9G220 K221 G222 L237G220-N235 CarbonylContact O-C 3.24Å; G220-N235 VanDerWaalsContact O-CA 3.24Å; G220-N235 WeakPolarHBondContact O-CA 3.14Å; K221-N235 WeakPolarHBondContact CA-OD1 3.24Å; G222-N235 PolarHBondContact N-OD1 3.26Å; G222-N235 VanDerWaalsContact N-OD1 3.08Å; N235-L237 HydrophobicContact CB-CD2 4.26Å
236K98.6Very high97.8Very high36 Ų3653.7 Ų53.716%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-105.4104.2173.4-60.8-56.1-178.9-170.20107.8F219 G220 L227 F229 D232 K234 E238 C240F219-K236 HydrophobicContact CB-CB 4.34Å; F219-K236 WeakPolarHBondContact CB-O 3.47Å; G220-K236 PolarHBondContact N-O 3.05Å; G220-K236 PolarHBondContact O-N 2.91Å; L227-K236 HydrophobicContact CD1-CB 3.99Å; L227-K236 HydrophobicContact CD1-CG 3.58Å; F229-K236 HydrophobicContact CD2-CG 4.05Å; F229-K236 HydrophobicContact CE2-CD 4.44Å; F229-K236 HydrophobicContact CE2-CG 3.75Å; D232-K236 IonicContact OD1-NZ 3.59Å; D232-K236 PolarHBondContact OD1-NZ 3.39Å; D232-K236 IonicContact OD2-NZ 2.7Å; D232-K236 PolarHBondContact OD2-NZ 3.33Å; K234-K236 PolarHBondContact O-N 3.41Å; K236-E238 PolarHBondContact O-N 2.81Å; K236-C240 HydrophobicContact CG-CB 4.41Å
237L98.7Very high97.7Very high58 Ų5861.1 Ų61.130%0.30430%0.302SS..EExtended strand (participates in β ladder)trans-76.9-9.9-177.7-51.7-177.3000113.1G176 H177 G178 E180 N235G176-L237 CarbonylContact C-O 3.59Å; G176-L237 WeakPolarHBondContact CA-O 2.98Å; H177-L237 PolarHBondContact N-O 2.8Å; G178-L237 WeakPolarHBondContact CA-O 3.22Å; G178-L237 PolarHBondContact N-O 2.86Å; E180-L237 HydrophobicContact CG-CD2 3.87Å; N235-L237 HydrophobicContact CB-CD2 4.26Å
238E98.6Very high97.7Very high76 Ų7661.4 Ų61.436%0.35531%0.305SS..EExtended strand (participates in β ladder)trans-133.6153.3172.9-60.2-171.8156.300109.6R191 K236 C240R191-E238 HydrophobicContact CB-CB 4.44Å; R191-E238 HydrophobicContact CG-CB 4.2Å; R191-E238 IonicContact CZ-OE2 2.76Å; R191-E238 IonicContact NH1-OE2 3.94Å; R191-E238 PolarHBondContact NH1-OE2 2.94Å; K236-E238 PolarHBondContact O-N 2.81Å; E238-C240 PolarHBondContact O-N 3.22Å
239P98.8Very high97.8Very high1 Ų165.3 Ų65.31%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-48.8122.2170.8-28.134000113G176 I189 R191 L192 Y217 F219G176-P239 WeakPolarHBondContact O-CD 3.47Å; I189-P239 HydrophobicContact CG2-CG 3.61Å; R191-P239 HydrophobicContact CB-CG 4.28Å; R191-P239 HydrophobicContact CG-CB 4.27Å; R191-P239 HydrophobicContact CG-CG 4.5Å; L192-P239 HydrophobicContact CD1-CB 4.13Å; L192-P239 HydrophobicContact CD1-CG 3.8Å; L192-P239 HydrophobicContact CD2-CB 3.73Å; L192-P239 HydrophobicContact CD2-CG 4.23Å; L192-P239 HydrophobicContact CG-CB 3.85Å; L192-P239 HydrophobicContact CG-CG 3.76Å; Y217-P239 HydrophobicContact CD1-CB 4.19Å; F219-P239 HydrophobicContact CD1-CB 3.92Å; F219-P239 HydrophobicContact CD1-CG 3.7Å; F219-P239 HydrophobicContact CE1-CB 4.35Å; F219-P239 HydrophobicContact CE1-CG 3.86Å; F219-P239 HydrophobicContact CG-CG 4.11Å; F219-P239 HydrophobicContact CZ-CG 4.36Å
240C98.5Very high97.8Very high36 Ų3663.6 Ų63.624%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-119.7133.3179-173.50000110.2Y217 M218 F229 K236 E238 V242Y217-C240 CarbonylContact C-O 3.54Å; Y217-C240 VanDerWaalsContact CA-O 3.27Å; Y217-C240 WeakPolarHBondContact CA-O 3.28Å; M218-C240 PolarHBondContact N-O 3.05Å; M218-C240 PolarHBondContact O-N 3.17Å; F229-C240 HydrophobicContact CE1-CB 4.2Å; F229-C240 HydrophobicContact CE2-CB 4.09Å; F229-C240 HydrophobicContact CZ-CB 3.54Å; F229-C240 WeakPolarHBondContact CZ-O 3.15Å; K236-C240 HydrophobicContact CG-CB 4.41Å; E238-C240 PolarHBondContact O-N 3.22Å; C240-V242 PolarHBondContact O-N 3.09Å
241W98.2Very high97.9Very high72 Ų7266.8 Ų66.827%0.27334%0.336SS..EExtended strand (participates in β ladder)trans-71128179.9175.129.3000111.2F215 Y217 F229 H243 A246F215-W241 AromaticContact CD1-CE2 3.9Å; F215-W241 AromaticContact CD1-CZ2 3.79Å; F215-W241 HydrophobicContact CD1-CZ2 3.79Å; F215-W241 AromaticContact CD1-NE1 3.67Å; F215-W241 AromaticContact CE1-CZ2 3.76Å; F215-W241 HydrophobicContact CE1-CZ2 3.76Å; F215-W241 HydrophobicContact CG-CZ2 4.39Å; F215-W241 AromaticContact CG-NE1 3.91Å; F215-W241 HydrophobicContact CZ-CZ2 4.33Å; Y217-W241 HydrophobicContact CD1-CB 4.09Å; Y217-W241 HydrophobicContact CE1-CB 3.77Å; F229-W241 WeakPolarHBondContact CE1-O 3.19Å; W241-H243 VanDerWaalsContact C-N 3.35Å; W241-H243 AromaticContact CD2-CD2 3.8Å; W241-H243 AromaticContact CD2-NE2 3.82Å; W241-H243 AromaticContact CE3-CD2 3.31Å; W241-H243 AromaticContact CE3-CE1 3.65Å; W241-H243 AromaticContact CE3-CG 3.99Å; W241-H243 AromaticContact CE3-NE2 3.09Å; W241-H243 AromaticContact CZ3-CD2 3.43Å; W241-H243 VanDerWaalsContact CZ3-CD2 3.43Å; W241-H243 WeakPolarHBondContact CZ3-CD2 3.4Å; W241-H243 AromaticContact CZ3-NE2 3.5Å; W241-H243 PolarHBondContact O-CE1 3.01Å; W241-H243 PolarHBondContact O-N 2.85Å; W241-H243 PolarHBondContact O-ND1 3.08Å; W241-A246 HydrophobicContact CH2-CB 4.29Å; W241-A246 HydrophobicContact CZ2-CB 3.62Å
242V98.4Very high98Very high1 Ų161.6 Ų61.61%0.00630%0.303CS..  trans-79.780.3175.3-171.60000110.1L216 M218 F229 C240 R244 L245 P295L216-V242 HydrophobicContact CD2-CG2 4.38Å; L216-V242 HydrophobicContact CG-CG2 4.25Å; L216-V242 PolarHBondContact O-N 3.23Å; M218-V242 HydrophobicContact CB-CG2 3.95Å; M218-V242 HydrophobicContact CG-CG2 3.38Å; F229-V242 HydrophobicContact CE1-CB 4.48Å; F229-V242 HydrophobicContact CE1-CG2 4.04Å; F229-V242 HydrophobicContact CZ-CG2 4.01Å; C240-V242 PolarHBondContact O-N 3.09Å; V242-R244 HydrophobicContact CG1-CB 4.48Å; V242-R244 PolarHBondContact O-N 3.24Å; V242-L245 HydrophobicContact CG1-CD1 4.37Å; V242-L245 HydrophobicContact CG1-CG 4.4Å; V242-L245 PolarHBondContact O-N 2.9Å; V242-P295 HydrophobicContact CG1-CG 3.98Å
243H96.4Very high98Very high112 Ų11258.8 Ų58.852%0.51929%0.288SS..G310 helixtrans-58.3-23-176.2-62.576.8000114.1W241 L245 A246W241-H243 VanDerWaalsContact C-N 3.35Å; W241-H243 AromaticContact CD2-CD2 3.8Å; W241-H243 AromaticContact CD2-NE2 3.82Å; W241-H243 AromaticContact CE3-CD2 3.31Å; W241-H243 AromaticContact CE3-CE1 3.65Å; W241-H243 AromaticContact CE3-CG 3.99Å; W241-H243 AromaticContact CE3-NE2 3.09Å; W241-H243 AromaticContact CZ3-CD2 3.43Å; W241-H243 VanDerWaalsContact CZ3-CD2 3.43Å; W241-H243 WeakPolarHBondContact CZ3-CD2 3.4Å; W241-H243 AromaticContact CZ3-NE2 3.5Å; W241-H243 PolarHBondContact O-CE1 3.01Å; W241-H243 PolarHBondContact O-N 2.85Å; W241-H243 PolarHBondContact O-ND1 3.08Å; H243-L245 PolarHBondContact O-N 3.21Å; H243-A246 WeakPolarHBondContact O-CB 3.31Å; H243-A246 PolarHBondContact O-N 2.69Å
244R96.7Very high98.1Very high142 Ų14255.9 Ų55.954%0.53627%0.274SS..G310 helixtrans-60-26.1174.1-72-70.6-168.3-91.8-9112.8V242 H247 E294V242-R244 HydrophobicContact CG1-CB 4.48Å; V242-R244 PolarHBondContact O-N 3.24Å; R244-H247 PolarHBondContact O-CE1 3.36Å; R244-E294 IonicContact CZ-OE1 3.45Å; R244-E294 IonicContact CZ-OE2 2.64Å; R244-E294 VanDerWaalsContact NE-CD 3.26Å; R244-E294 IonicContact NE-OE1 3.82Å; R244-E294 PolarHBondContact NE-OE1 3.03Å; R244-E294 VanDerWaalsContact NE-OE1 3.16Å; R244-E294 IonicContact NE-OE2 2.62Å; R244-E294 PolarHBondContact NE-OE2 2.89Å; R244-E294 IonicContact NH2-OE1 3.16Å; R244-E294 PolarHBondContact NH2-OE1 3.12Å; R244-E294 IonicContact NH2-OE2 3.37Å
245L98Very high98.1Very high6 Ų648.4 Ų48.43%0.03124%0.241CC..G310 helixtrans-98.914.8175.1-65.5174.6000112.8L216 V242 H243 H247 V248 V250 F274 W276 P295L216-L245 HydrophobicContact CD2-CD1 3.98Å; V242-L245 HydrophobicContact CG1-CD1 4.37Å; V242-L245 HydrophobicContact CG1-CG 4.4Å; V242-L245 PolarHBondContact O-N 2.9Å; H243-L245 PolarHBondContact O-N 3.21Å; L245-H247 PolarHBondContact O-N 2.93Å; L245-V248 HydrophobicContact CB-CB 4.44Å; L245-V248 HydrophobicContact CD2-CB 4.39Å; L245-V248 HydrophobicContact CD2-CG2 4.1Å; L245-V248 PolarHBondContact O-N 2.89Å; L245-V248 VanDerWaalsContact O-O 3.07Å; L245-V250 HydrophobicContact CD1-CG2 4.28Å; L245-F274 HydrophobicContact CD2-CD1 3.65Å; L245-F274 HydrophobicContact CD2-CE1 3.85Å; L245-F274 HydrophobicContact CD2-CG 4.02Å; L245-F274 HydrophobicContact CD2-CZ 4.4Å; L245-W276 HydrophobicContact CD1-CH2 4.05Å; L245-W276 HydrophobicContact CD1-CZ3 4.2Å; L245-P295 HydrophobicContact CD1-CB 4.06Å; L245-P295 HydrophobicContact CD1-CG 3.92Å; L245-P295 HydrophobicContact CD2-CB 3.79Å; L245-P295 HydrophobicContact CD2-CG 4.31Å; L245-P295 HydrophobicContact CG-CB 3.95Å; L245-P295 HydrophobicContact CG-CG 3.9Å
246A96.6Very high98Very high47 Ų4745.8 Ų45.839%0.38823%0.227SC..THydrogen-bonded Turntrans-59.6-23.3-177.300000114.4W241 H243W241-A246 HydrophobicContact CH2-CB 4.29Å; W241-A246 HydrophobicContact CZ2-CB 3.62Å; H243-A246 WeakPolarHBondContact O-CB 3.31Å; H243-A246 PolarHBondContact O-N 2.69Å
247H96.8Very high97.5Very high156 Ų15645.1 Ų45.172%0.72223%0.225SC*.THydrogen-bonded Turntrans-91.31177.165-81.7000113.3R244 L245R244-H247 PolarHBondContact O-CE1 3.36Å; L245-H247 PolarHBondContact O-N 2.93Å
248V98.2Very high96.1Very high11 Ų1142.4 Ų42.47%0.06721%0.211CC..SBendtrans-116.3122.9-176.8-176.50000108.5L245 V250 S268 F274L245-V248 HydrophobicContact CB-CB 4.44Å; L245-V248 HydrophobicContact CD2-CB 4.39Å; L245-V248 HydrophobicContact CD2-CG2 4.1Å; L245-V248 PolarHBondContact O-N 2.89Å; L245-V248 VanDerWaalsContact O-O 3.07Å; V248-V250 HydrophobicContact CG1-CG2 4.28Å; V248-V250 PolarHBondContact O-N 2.83Å; V248-S268 VanDerWaalsContact CG1-CB 3.5Å; V248-F274 HydrophobicContact CG1-CE2 3.77Å; V248-F274 HydrophobicContact CG1-CZ 4.12Å; V248-F274 HydrophobicContact CG2-CE1 4.27Å; V248-F274 HydrophobicContact CG2-CE2 4.2Å; V248-F274 HydrophobicContact CG2-CZ 3.68Å
249I98.5Very high94.6Very high83 Ų8345.7 Ų45.743%0.42623%0.231SC..  trans-79.1101.1168.1-58.2170.4000107S268 H269I249-S268 CarbonylContact O-C 3.53Å; I249-S268 VanDerWaalsContact O-CA 3.26Å; I249-S268 WeakPolarHBondContact O-CA 3.32Å; I249-H269 WeakPolarHBondContact CB-ND1 3.49Å; I249-H269 HydrophobicContact CG2-CB 4.29Å; I249-H269 PolarHBondContact O-N 2.89Å; I249-H269 PolarHBondContact O-ND1 2.95Å
250V98.8Very high93.7Very high2 Ų246.5 Ų46.51%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-76.3137174.4-177.80000108.8V210 G214 L216 L245 V248 D252 A266 L267V210-V250 HydrophobicContact CG1-CB 4.15Å; V210-V250 HydrophobicContact CG1-CG1 4.1Å; V210-V250 WeakPolarHBondContact CG1-O 3.33Å; V210-V250 HydrophobicContact CG2-CG1 3.76Å; G214-V250 WeakPolarHBondContact CA-O 3.39Å; G214-V250 WeakPolarHBondContact O-CB 3.27Å; G214-V250 PolarHBondContact O-N 3.2Å; L216-V250 HydrophobicContact CB-CG2 4.26Å; L245-V250 HydrophobicContact CD1-CG2 4.28Å; V248-V250 HydrophobicContact CG1-CG2 4.28Å; V248-V250 PolarHBondContact O-N 2.83Å; V250-D252 VanDerWaalsContact CG1-O 3.3Å; V250-D252 WeakPolarHBondContact CG1-O 3.26Å; V250-A266 HydrophobicContact CG1-CB 4.07Å; V250-L267 CarbonylContact C-O 3.57Å; V250-L267 WeakPolarHBondContact CA-O 3.08Å
251V98.5Very high93.3Very high69 Ų6951.1 Ų51.142%0.41826%0.255SS..EExtended strand (participates in β ladder)trans-119-18.7178.3-62.70000112.7L267 H269V251-L267 HydrophobicContact CG2-CB 4.28Å; V251-L267 HydrophobicContact CG2-CD2 4.29Å; V251-L267 HydrophobicContact CG2-CG 4.07Å; V251-L267 WeakPolarHBondContact CG2-O 3.26Å; V251-L267 PolarHBondContact N-O 3.41Å; V251-H269 HydrophobicContact CG1-CB 3.63Å
252D98.4Very high93.1Very high34 Ų3447.7 Ų47.718%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-149.2154.7175.2-15811.5000111.9V250 A266 L267V250-D252 VanDerWaalsContact CG1-O 3.3Å; V250-D252 WeakPolarHBondContact CG1-O 3.26Å; D252-A266 WeakPolarHBondContact O-CA 3.28Å; D252-L267 HydrophobicContact CB-CB 3.96Å; D252-L267 HydrophobicContact CB-CD2 4.42Å; D252-L267 PolarHBondContact N-O 2.85Å; D252-L267 PolarHBondContact O-N 3.28Å
253V98.7Very high93.1Very high4 Ų447.7 Ų47.72%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-142.6140.3176.264.60000109.7T199 S201 V210 L216 M218 T264 L265T199-V253 HydrophobicContact CG2-CG1 4.36Å; S201-V253 VanDerWaalsContact CB-O 3.31Å; S201-V253 WeakPolarHBondContact CB-O 3.24Å; V210-V253 HydrophobicContact CG2-CB 3.96Å; V210-V253 HydrophobicContact CG2-CG1 3.69Å; L216-V253 HydrophobicContact CD1-CB 3.93Å; L216-V253 HydrophobicContact CD1-CG1 4.07Å; L216-V253 HydrophobicContact CD1-CG2 3.82Å; L216-V253 HydrophobicContact CD2-CG2 4.35Å; M218-V253 HydrophobicContact SD-CG2 4.35Å; V253-T264 HydrophobicContact CG2-CG2 3.59Å; V253-L265 CarbonylContact C-O 3.56Å; V253-L265 WeakPolarHBondContact CA-O 3.4Å; V253-L265 WeakPolarHBondContact CG2-O 3.47Å
254S98.3Very high93.2Very high13 Ų1342.3 Ų42.39%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-133118.3173.3-165.40000111T264 L265 A313S254-T264 WeakPolarHBondContact O-CA 3.38Å; S254-L265 PolarHBondContact N-O 3.27Å; S254-L265 PolarHBondContact O-N 3.13Å; S254-A313 PolarHBondContact OG-N 3.07Å
255C98Very high93.2Very high2 Ų235.6 Ų35.61%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-94.9127.1178.2-62.20000109.3S201 H206 G208S201-C255 WeakPolarHBondContact OG-CB 3.28Å; S201-C255 PolarHBondContact OG-N 3.44Å; H206-C255 VanDerWaalsContact CD2-SG 3.54Å; H206-C255 WeakPolarHBondContact NE2-CA 3.32Å; H206-C255 WeakPolarHBondContact NE2-CB 3.45Å; G208-C255 PolarHBondContact N-SG 2.8Å; G208-C255 VanDerWaalsContact N-SG 3.39Å
256S96.5Very high93.3Very high0 Ų035.3 Ų35.30%019%0.19CC..  trans-70.2145.3-176.561.60000113.8G203 Y204 G258 G262 H263 G314G203-S256 CarbonylContact C-O 3.35Å; G203-S256 VanDerWaalsContact CA-O 3.24Å; G203-S256 WeakPolarHBondContact CA-O 3.35Å; Y204-S256 PolarHBondContact N-O 2.9Å; S256-G258 VanDerWaalsContact C-N 3.28Å; S256-G258 PolarHBondContact O-N 3.17Å; S256-G262 WeakPolarHBondContact OG-CA 3.47Å; S256-H263 WeakPolarHBondContact CB-CE1 3.3Å; S256-H263 VanDerWaalsContact CB-ND1 3.33Å; S256-H263 WeakPolarHBondContact CB-ND1 3.41Å; S256-H263 WeakPolarHBondContact CB-O 3.25Å; S256-H263 PolarHBondContact N-O 3.34Å; S256-H263 PolarHBondContact OG-N 2.86Å; S256-H263 PolarHBondContact OG-ND1 3.05Å; S256-H263 PolarHBondContact OG-O 2.93Å; S256-H263 VanDerWaalsContact OG-O 3.05Å; S256-G314 WeakPolarHBondContact CB-O 3.24Å
257K86.9Confident93.4Very high23 Ų2333.3 Ų33.310%0.117%0.173CC..  trans-90.122.3177.7-61.6174.5-173.6160.50113.1A43 A95 S315A43-K257 PolarHBondContact O-NZ 3.39Å; A95-K257 PolarHBondContact O-NZ 3.03Å; K257-S315 VanDerWaalsContact C-OG 3.3Å; K257-S315 PolarHBondContact O-OG 3.42Å
258G70.3Confident93.4Very high1 Ų126 Ų261%0.0114%0.139CC..  trans-73.2147-172.300000115.8Y204 S256 G260 S315Y204-G258 WeakPolarHBondContact CB-O 3.41Å; Y204-G258 VanDerWaalsContact CD1-O 3.31Å; Y204-G258 WeakPolarHBondContact CD1-O 3.42Å; Y204-G258 WeakPolarHBondContact CD2-O 3.28Å; S256-G258 VanDerWaalsContact C-N 3.28Å; S256-G258 PolarHBondContact O-N 3.17Å; G258-G260 PolarHBondContact O-N 3.45Å; G258-S315 WeakPolarHBondContact CA-OG 3.29Å; G258-S315 PolarHBondContact N-OG 3.16Å
259D68.1Low93.4Very high145 Ų14529.7 Ų29.778%0.77516%0.156SC*.SBendtrans-70.328-166.362.4-12.5000116.7
260G79.5Confident93.4Very high18 Ų1833.4 Ų33.419%0.18617%0.165CC..SBendtrans155.4-22.1169.700000115.4K221 G258K221-G260 PolarHBondContact NZ-O 3.21Å; G258-G260 PolarHBondContact O-N 3.45Å
261K89.5Confident93.3Very high133 Ų13333.9 Ų33.958%0.57817%0.169SC*.  trans-129.6101.2178.9-61.8-170.2-178.3-176.20111.2D224 N278 K283D224-K261 HydrophobicContact CB-CB 4.46Å; K261-N278 HydrophobicContact CB-CB 3.81Å; K261-N278 WeakPolarHBondContact CD-ND2 3.41Å; K261-K283 PolarHBondContact O-NZ 3.06Å
262G94.9Very high93.3Very high0 Ų032.9 Ų32.90%016%0.16CC..  trans-73.7163.6-178.600000113.7D224 S256 N278D224-G262 WeakPolarHBondContact OD2-CA 3.46Å; D224-G262 PolarHBondContact OD2-N 3.26Å; S256-G262 WeakPolarHBondContact OG-CA 3.47Å; G262-N278 VanDerWaalsContact O-CB 3.22Å; G262-N278 WeakPolarHBondContact O-CB 3.21Å; G262-N278 PolarHBondContact O-N 2.85Å
263H96.9Very high93.3Very high0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-149.9156.8167.168.8-82.5000107.3H206 S256 W276 K283 L284 G314 N318H206-H263 PolarHBondContact NE2-O 2.84Å; S256-H263 WeakPolarHBondContact CB-CE1 3.3Å; S256-H263 VanDerWaalsContact CB-ND1 3.33Å; S256-H263 WeakPolarHBondContact CB-ND1 3.41Å; S256-H263 WeakPolarHBondContact CB-O 3.25Å; S256-H263 PolarHBondContact N-O 3.34Å; S256-H263 PolarHBondContact OG-N 2.86Å; S256-H263 PolarHBondContact OG-ND1 3.05Å; S256-H263 PolarHBondContact OG-O 2.93Å; S256-H263 VanDerWaalsContact OG-O 3.05Å; H263-W276 CarbonylContact C-O 3.57Å; H263-W276 WeakPolarHBondContact CA-O 3.33Å; H263-W276 VanDerWaalsContact CB-O 3.26Å; H263-W276 WeakPolarHBondContact CB-O 3.4Å; H263-K283 VanDerWaalsContact ND1-CE 3.26Å; H263-K283 WeakPolarHBondContact ND1-CE 3.19Å; H263-K283 PolarHBondContact ND1-NZ 3.15Å; H263-L284 HydrophobicContact CB-CD2 3.96Å; H263-G314 PolarHBondContact CE1-O 3.12Å; H263-G314 VanDerWaalsContact CE1-O 3.28Å; H263-N318 PolarHBondContact NE2-OD1 3.39Å
264T98.3Very high93.2Very high0 Ų031.9 Ų31.90%015%0.154CC..EExtended strand (participates in β ladder)trans-127.7143.9-178.7-63.10000110H206 M218 A226 V253 S254 V275 W276H206-T264 PolarHBondContact CD2-OG1 2.74Å; H206-T264 VanDerWaalsContact CD2-OG1 3.24Å; H206-T264 PolarHBondContact NE2-OG1 2.88Å; M218-T264 HydrophobicContact CE-CG2 3.81Å; M218-T264 WeakPolarHBondContact CE-OG1 3.15Å; M218-T264 HydrophobicContact SD-CG2 4.38Å; A226-T264 PolarHBondContact O-OG1 3.44Å; V253-T264 HydrophobicContact CG2-CG2 3.59Å; S254-T264 WeakPolarHBondContact O-CA 3.38Å; T264-V275 WeakPolarHBondContact O-CA 3.23Å; T264-W276 VanDerWaalsContact CB-CE2 3.49Å; T264-W276 HydrophobicContact CG2-CH2 3.67Å; T264-W276 HydrophobicContact CG2-CZ2 3.24Å; T264-W276 HydrophobicContact CG2-CZ3 4.46Å; T264-W276 PolarHBondContact N-O 2.87Å; T264-W276 PolarHBondContact O-N 2.89Å; T264-W276 VanDerWaalsContact O-N 3.12Å
265L98.5Very high93.2Very high0 Ų031.3 Ų31.30%015%0.15CC..EExtended strand (participates in β ladder)trans-112.8140.4169.1-48.8177.5000108.5V253 S254 L273 F274 V275 L311 A313 N318 W330V253-L265 CarbonylContact C-O 3.56Å; V253-L265 WeakPolarHBondContact CA-O 3.4Å; V253-L265 WeakPolarHBondContact CG2-O 3.47Å; S254-L265 PolarHBondContact N-O 3.27Å; S254-L265 PolarHBondContact O-N 3.13Å; L265-L273 HydrophobicContact CB-CD1 4.14Å; L265-F274 CarbonylContact C-O 3.58Å; L265-F274 WeakPolarHBondContact CA-O 3.31Å; L265-V275 HydrophobicContact CD2-CB 4.32Å; L265-V275 HydrophobicContact CD2-CG1 3.57Å; L265-L311 HydrophobicContact CB-CD1 4Å; L265-L311 HydrophobicContact CB-CD2 3.98Å; L265-L311 HydrophobicContact CD1-CB 4.44Å; L265-L311 HydrophobicContact CD1-CD1 4.35Å; L265-A313 HydrophobicContact CD1-CB 3.87Å; L265-A313 HydrophobicContact CG-CB 4Å; L265-N318 HydrophobicContact CD1-CB 3.9Å; L265-N318 WeakPolarHBondContact CD1-OD1 3.31Å; L265-W330 HydrophobicContact CD2-CZ2 4.48Å
266A98.7Very high93.2Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-132142.6168.600000111.3L216 V250 D252 F274 W276L216-A266 HydrophobicContact CD2-CB 4.25Å; V250-A266 HydrophobicContact CG1-CB 4.07Å; D252-A266 WeakPolarHBondContact O-CA 3.28Å; A266-F274 HydrophobicContact CB-CB 4.46Å; A266-F274 PolarHBondContact N-O 3.14Å; A266-F274 PolarHBondContact O-N 3.2Å; A266-W276 HydrophobicContact CB-CH2 3.62Å; A266-W276 HydrophobicContact CB-CZ3 3.78Å
267L98.7Very high93.2Very high6 Ų631.2 Ų31.23%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-110130.6-179.9-171.858.3000110V250 V251 D252 V308 L311V250-L267 CarbonylContact C-O 3.57Å; V250-L267 WeakPolarHBondContact CA-O 3.08Å; V251-L267 HydrophobicContact CG2-CB 4.28Å; V251-L267 HydrophobicContact CG2-CD2 4.29Å; V251-L267 HydrophobicContact CG2-CG 4.07Å; V251-L267 WeakPolarHBondContact CG2-O 3.26Å; V251-L267 PolarHBondContact N-O 3.41Å; D252-L267 HydrophobicContact CB-CB 3.96Å; D252-L267 HydrophobicContact CB-CD2 4.42Å; D252-L267 PolarHBondContact N-O 2.85Å; D252-L267 PolarHBondContact O-N 3.28Å; L267-V308 HydrophobicContact CD1-CB 3.79Å; L267-V308 HydrophobicContact CD1-CG1 3.76Å; L267-V308 HydrophobicContact CD2-CG1 4.48Å; L267-L311 HydrophobicContact CB-CD2 3.71Å; L267-L311 HydrophobicContact CB-CG 4.43Å
268S98.5Very high93.6Very high2 Ų230.8 Ų30.81%0.01415%0.148CC..EExtended strand (participates in β ladder)trans-85.2160.217187.20000112.2V248 I249 R270 G271 E272V248-S268 VanDerWaalsContact CG1-CB 3.5Å; I249-S268 CarbonylContact O-C 3.53Å; I249-S268 VanDerWaalsContact O-CA 3.26Å; I249-S268 WeakPolarHBondContact O-CA 3.32Å; S268-R270 PolarHBondContact O-N 3.03Å; S268-R270 PolarHBondContact OG-N 3.47Å; S268-G271 PolarHBondContact O-N 3.23Å; S268-E272 PolarHBondContact N-O 3.07Å; S268-E272 VanDerWaalsContact OG-CB 3.32Å; S268-E272 WeakPolarHBondContact OG-CB 3.41Å; S268-E272 PolarHBondContact OG-N 3.11Å; S268-E272 PolarHBondContact OG-OE2 3.36Å
269H97.8Very high94.7Very high89 Ų8930.9 Ų30.941%0.41215%0.148SC..THydrogen-bonded Turntrans-57.7-19171.975.2-68.9000113.9I249 V251 G271I249-H269 WeakPolarHBondContact CB-ND1 3.49Å; I249-H269 HydrophobicContact CG2-CB 4.29Å; I249-H269 PolarHBondContact O-N 2.89Å; I249-H269 PolarHBondContact O-ND1 2.95Å; V251-H269 HydrophobicContact CG1-CB 3.63Å; H269-G271 VanDerWaalsContact C-N 3.3Å
270R97.5Very high95.8Very high161 Ų16125.8 Ų25.861%0.60813%0.126SC*.THydrogen-bonded Turntrans-87.6-0.4176.6-58.5-177.1178-177.7-2.3112.7S268 E272 R307S268-R270 PolarHBondContact O-N 3.03Å; S268-R270 PolarHBondContact OG-N 3.47Å; R270-E272 HydrophobicContact CB-CG 4.14Å; R270-R307 WeakPolarHBondContact O-CD 3.34Å; R270-R307 WeakPolarHBondContact O-CG 3.47Å
271G97.5Very high96.1Very high11 Ų1130.1 Ų30.111%0.11314%0.138CC..SBendtrans75.726.1-175.600000113.6S268 H269 V308S268-G271 PolarHBondContact O-N 3.23Å; H269-G271 VanDerWaalsContact C-N 3.3Å; G271-V308 WeakPolarHBondContact CA-O 3.4Å; G271-V308 PolarHBondContact O-N 2.89Å; G271-V308 VanDerWaalsContact O-N 3.13Å
272E97.8Very high96.1Very high48 Ų4823.8 Ų23.822%0.22411%0.11CC..  trans-89.7134.7174.8-56.7160.2126.100109.7S268 R270 F274 K297S268-E272 PolarHBondContact N-O 3.07Å; S268-E272 VanDerWaalsContact OG-CB 3.32Å; S268-E272 WeakPolarHBondContact OG-CB 3.41Å; S268-E272 PolarHBondContact OG-N 3.11Å; S268-E272 PolarHBondContact OG-OE2 3.36Å; R270-E272 HydrophobicContact CB-CG 4.14Å; E272-F274 HydrophobicContact CB-CE2 3.99Å; E272-K297 VanDerWaalsContact OE1-CE 3.28Å; E272-K297 WeakPolarHBondContact OE1-CE 3.19Å; E272-K297 IonicContact OE1-NZ 3.13Å; E272-K297 PolarHBondContact OE1-NZ 2.88Å
273L97.8Very high95.9Very high4 Ų424 Ų242%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-101.3128.5-178.2178.856.4000110.7L265 V275 L298 F303 L311 W330L265-L273 HydrophobicContact CB-CD1 4.14Å; L273-V275 HydrophobicContact CD1-CG1 4.48Å; L273-V275 HydrophobicContact CG-CG1 4.18Å; L273-L298 HydrophobicContact CB-CB 4.49Å; L273-L298 HydrophobicContact CD2-CD1 3.74Å; L273-L298 HydrophobicContact CG-CD1 4.05Å; L273-L298 PolarHBondContact O-N 2.96Å; L273-F303 HydrophobicContact CD2-CE2 4.16Å; L273-F303 HydrophobicContact CD2-CZ 3.79Å; L273-L311 HydrophobicContact CD1-CD2 3.39Å; L273-W330 HydrophobicContact CD2-CH2 3.62Å; L273-W330 HydrophobicContact CD2-CZ2 3.95Å
274F98.4Very high95.8Very high14 Ų1424 Ų246%0.06111%0.111CC..EExtended strand (participates in β ladder)trans-113.3142.7173.7-65.3-100.9000110.2L245 V248 L265 A266 E272 W276 P295 V296 K297L245-F274 HydrophobicContact CD2-CD1 3.65Å; L245-F274 HydrophobicContact CD2-CE1 3.85Å; L245-F274 HydrophobicContact CD2-CG 4.02Å; L245-F274 HydrophobicContact CD2-CZ 4.4Å; V248-F274 HydrophobicContact CG1-CE2 3.77Å; V248-F274 HydrophobicContact CG1-CZ 4.12Å; V248-F274 HydrophobicContact CG2-CE1 4.27Å; V248-F274 HydrophobicContact CG2-CE2 4.2Å; V248-F274 HydrophobicContact CG2-CZ 3.68Å; L265-F274 CarbonylContact C-O 3.58Å; L265-F274 WeakPolarHBondContact CA-O 3.31Å; A266-F274 HydrophobicContact CB-CB 4.46Å; A266-F274 PolarHBondContact N-O 3.14Å; A266-F274 PolarHBondContact O-N 3.2Å; E272-F274 HydrophobicContact CB-CE2 3.99Å; F274-W276 HydrophobicContact CB-CE3 4.46Å; F274-W276 HydrophobicContact CB-CZ3 3.98Å; F274-P295 HydrophobicContact CD1-CB 4.46Å; F274-V296 CarbonylContact C-O 3.43Å; F274-V296 VanDerWaalsContact CA-O 3.27Å; F274-V296 WeakPolarHBondContact CA-O 3.43Å; F274-K297 HydrophobicContact CD1-CB 3.92Å; F274-K297 HydrophobicContact CE1-CB 3.66Å; F274-K297 HydrophobicContact CE1-CD 4.48Å; F274-K297 HydrophobicContact CE1-CG 4.13Å; F274-K297 HydrophobicContact CZ-CB 4.18Å; F274-K297 HydrophobicContact CZ-CD 4.24Å; F274-K297 HydrophobicContact CZ-CG 4.13Å
275V97.9Very high95.5Very high0 Ų024 Ų240%011%0.112CC..EExtended strand (participates in β ladder)trans-138.8141.2-173.5-600000111.2T264 L265 L273 L284 L286 V296 L298T264-V275 WeakPolarHBondContact O-CA 3.23Å; L265-V275 HydrophobicContact CD2-CB 4.32Å; L265-V275 HydrophobicContact CD2-CG1 3.57Å; L273-V275 HydrophobicContact CD1-CG1 4.48Å; L273-V275 HydrophobicContact CG-CG1 4.18Å; V275-L284 HydrophobicContact CB-CD2 4.3Å; V275-L284 HydrophobicContact CG2-CB 4.18Å; V275-L284 VanDerWaalsContact CG2-O 3.27Å; V275-L284 WeakPolarHBondContact CG2-O 3.24Å; V275-L286 HydrophobicContact CG2-CD1 4.09Å; V275-L286 HydrophobicContact CG2-CD2 4.44Å; V275-L286 HydrophobicContact CG2-CG 4.13Å; V275-V296 PolarHBondContact N-O 3.26Å; V275-V296 PolarHBondContact O-N 3.1Å; V275-L298 HydrophobicContact CG1-CD1 3.7Å; V275-L298 HydrophobicContact CG1-CG 3.89Å; V275-L298 HydrophobicContact CG2-CD1 4.46Å; V275-L298 HydrophobicContact CG2-CD2 3.93Å; V275-L298 HydrophobicContact CG2-CG 3.91Å
276W97.9Very high95.1Very high0 Ų025.2 Ų25.20%012%0.118CC..EExtended strand (participates in β ladder)trans-161.2170.9173.161.894000112.2L216 M218 A226 G228 L245 H263 T264 A266 F274 Q292 E294 P295L216-W276 HydrophobicContact CD2-CH2 3.56Å; L216-W276 HydrophobicContact CD2-CZ2 3.81Å; M218-W276 HydrophobicContact CE-CZ2 4.5Å; M218-W276 HydrophobicContact SD-CZ2 4.5Å; A226-W276 PolarHBondContact O-NE1 3.49Å; G228-W276 VanDerWaalsContact CA-CD1 3.48Å; L245-W276 HydrophobicContact CD1-CH2 4.05Å; L245-W276 HydrophobicContact CD1-CZ3 4.2Å; H263-W276 CarbonylContact C-O 3.57Å; H263-W276 WeakPolarHBondContact CA-O 3.33Å; H263-W276 VanDerWaalsContact CB-O 3.26Å; H263-W276 WeakPolarHBondContact CB-O 3.4Å; T264-W276 VanDerWaalsContact CB-CE2 3.49Å; T264-W276 HydrophobicContact CG2-CH2 3.67Å; T264-W276 HydrophobicContact CG2-CZ2 3.24Å; T264-W276 HydrophobicContact CG2-CZ3 4.46Å; T264-W276 PolarHBondContact N-O 2.87Å; T264-W276 PolarHBondContact O-N 2.89Å; T264-W276 VanDerWaalsContact O-N 3.12Å; A266-W276 HydrophobicContact CB-CH2 3.62Å; A266-W276 HydrophobicContact CB-CZ3 3.78Å; F274-W276 HydrophobicContact CB-CE3 4.46Å; F274-W276 HydrophobicContact CB-CZ3 3.98Å; W276-Q292 HydrophobicContact CB-CB 4.39Å; W276-E294 VanDerWaalsContact CB-O 3.32Å; W276-E294 WeakPolarHBondContact CB-O 3.46Å; W276-P295 HydrophobicContact CD2-CB 4.16Å; W276-P295 HydrophobicContact CD2-CG 3.89Å; W276-P295 HydrophobicContact CE3-CB 3.55Å; W276-P295 HydrophobicContact CE3-CG 3.73Å; W276-P295 HydrophobicContact CG-CG 4.46Å; W276-P295 HydrophobicContact CH2-CG 4.38Å; W276-P295 HydrophobicContact CZ3-CB 3.85Å; W276-P295 HydrophobicContact CZ3-CG 4Å
277G97Very high94.3Very high0 Ų034.1 Ų34.10%016%0.16CC..EExtended strand (participates in β ladder)trans99.7-143.5-176.500000112.7C291 Q292G277-C291 WeakPolarHBondContact O-CA 3.46Å; G277-C291 WeakPolarHBondContact O-CB 3.5Å; G277-Q292 VanDerWaalsContact CA-O 3.27Å; G277-Q292 WeakPolarHBondContact CA-O 2.64Å; G277-Q292 PolarHBondContact N-O 3.27Å; G277-Q292 PolarHBondContact O-N 2.97Å
278N95Very high93.4Very high15 Ų1536.2 Ų36.28%0.0818%0.183CC..  trans-70135.7-176.6-178.8-100.3000112.9K261 G262 A280 K283K261-N278 HydrophobicContact CB-CB 3.81Å; K261-N278 WeakPolarHBondContact CD-ND2 3.41Å; G262-N278 VanDerWaalsContact O-CB 3.22Å; G262-N278 WeakPolarHBondContact O-CB 3.21Å; G262-N278 PolarHBondContact O-N 2.85Å; N278-A280 WeakPolarHBondContact OD1-CB 3.39Å; N278-A280 PolarHBondContact OD1-N 2.95Å; N278-K283 WeakPolarHBondContact O-CE 3.43Å; N278-K283 WeakPolarHBondContact O-CG 3.48Å; N278-K283 WeakPolarHBondContact OD1-CE 3.31Å; N278-K283 PolarHBondContact OD1-NZ 2.89Å
279N93.6Very high92.4Very high2 Ų241.1 Ų41.11%0.01121%0.212CC..  trans-11428.9178.8-162.319000113.7Y281 G282 K283 L284 G288 V289 R290 C291N279-Y281 PolarHBondContact O-N 3.37Å; N279-G282 PolarHBondContact O-N 3.15Å; N279-G282 VanDerWaalsContact O-N 3.11Å; N279-G282 WeakPolarHBondContact OD1-CA 3.46Å; N279-K283 PolarHBondContact OD1-N 3.02Å; N279-L284 HydrophobicContact CB-CB 4.31Å; N279-L284 HydrophobicContact CB-CD1 3.71Å; N279-L284 HydrophobicContact CB-CG 3.7Å; N279-L284 WeakPolarHBondContact OD1-CB 3.21Å; N279-L284 PolarHBondContact OD1-N 3.27Å; N279-G288 PolarHBondContact ND2-O 3.12Å; N279-G288 VanDerWaalsContact ND2-O 3.14Å; N279-V289 WeakPolarHBondContact ND2-CA 3.17Å; N279-R290 WeakPolarHBondContact CB-O 3.19Å; N279-R290 PolarHBondContact ND2-O 2.83Å; N279-C291 PolarHBondContact N-SG 2.83Å; N279-C291 VanDerWaalsContact N-SG 3.39Å
280A89.7Confident92Very high38 Ų3846.7 Ų46.731%0.31423%0.23SC..G310 helixtrans-55.6136.9170.800000109.6N278 G282 K283N278-A280 WeakPolarHBondContact OD1-CB 3.39Å; N278-A280 PolarHBondContact OD1-N 2.95Å; A280-G282 PolarHBondContact O-N 3Å; A280-K283 WeakPolarHBondContact O-CB 3.31Å; A280-K283 VanDerWaalsContact O-CG 3.26Å; A280-K283 WeakPolarHBondContact O-CG 3.33Å; A280-K283 PolarHBondContact O-N 3.42Å
281Y86.7Confident91.7Very high109 Ų10942.1 Ų42.143%0.42722%0.221SC..G310 helixtrans62.417.6-177.6-43.2-72.7000115.1N279 K283 V316 K332 H351N279-Y281 PolarHBondContact O-N 3.37Å; Y281-K283 PolarHBondContact O-N 2.94Å; Y281-V316 HydrophobicContact CD2-CB 4.35Å; Y281-V316 HydrophobicContact CD2-CG1 4.38Å; Y281-V316 HydrophobicContact CE2-CG1 4.18Å; Y281-K332 HydrophobicContact CD1-CB 4.42Å; Y281-K332 HydrophobicContact CD1-CG 4.02Å; Y281-K332 HydrophobicContact CD2-CB 3.94Å; Y281-K332 HydrophobicContact CD2-CD 4.26Å; Y281-K332 HydrophobicContact CD2-CG 4.13Å; Y281-K332 HydrophobicContact CE1-CD 4.42Å; Y281-K332 HydrophobicContact CE1-CG 4.3Å; Y281-K332 HydrophobicContact CE2-CD 4.08Å; Y281-K332 HydrophobicContact CE2-CG 4.4Å; Y281-K332 HydrophobicContact CG-CB 3.85Å; Y281-K332 HydrophobicContact CG-CG 3.93Å; Y281-H351 WeakPolarHBondContact O-CB 3.39Å; Y281-H351 PolarHBondContact O-CD2 3.01Å
282G88.7Confident91.7Very high0 Ų044.6 Ų44.60%023%0.23CC..G310 helixtrans69.220.3-177.300000113.3N279 A280 L284 G285N279-G282 PolarHBondContact O-N 3.15Å; N279-G282 VanDerWaalsContact O-N 3.11Å; N279-G282 WeakPolarHBondContact OD1-CA 3.46Å; A280-G282 PolarHBondContact O-N 3Å; G282-L284 PolarHBondContact O-N 2.77Å; G282-G285 PolarHBondContact O-N 3.25Å
283K92Very high91.6Very high5 Ų544.7 Ų44.72%0.02223%0.234CC..THydrogen-bonded Turntrans-64.5-8.8-175.871.9-174.3179.7164.90114.2K261 H263 N278 N279 A280 Y281 G285 S315 N318 W330K261-K283 PolarHBondContact O-NZ 3.06Å; H263-K283 VanDerWaalsContact ND1-CE 3.26Å; H263-K283 WeakPolarHBondContact ND1-CE 3.19Å; H263-K283 PolarHBondContact ND1-NZ 3.15Å; N278-K283 WeakPolarHBondContact O-CE 3.43Å; N278-K283 WeakPolarHBondContact O-CG 3.48Å; N278-K283 WeakPolarHBondContact OD1-CE 3.31Å; N278-K283 PolarHBondContact OD1-NZ 2.89Å; N279-K283 PolarHBondContact OD1-N 3.02Å; A280-K283 WeakPolarHBondContact O-CB 3.31Å; A280-K283 VanDerWaalsContact O-CG 3.26Å; A280-K283 WeakPolarHBondContact O-CG 3.33Å; A280-K283 PolarHBondContact O-N 3.42Å; Y281-K283 PolarHBondContact O-N 2.94Å; K283-G285 VanDerWaalsContact C-N 3.29Å; K283-S315 PolarHBondContact NZ-O 3.16Å; K283-S315 VanDerWaalsContact NZ-O 3.13Å; K283-N318 PolarHBondContact O-ND2 3.27Å; K283-W330 PolarHBondContact O-NE1 2.81Å
284L93.7Very high91.6Very high0 Ų047.5 Ų47.50%025%0.247CC..THydrogen-bonded Turntrans-77.2-12.1170-63.3-173.1000113.2H263 V275 N279 G282 L286 Q292H263-L284 HydrophobicContact CB-CD2 3.96Å; V275-L284 HydrophobicContact CB-CD2 4.3Å; V275-L284 HydrophobicContact CG2-CB 4.18Å; V275-L284 VanDerWaalsContact CG2-O 3.27Å; V275-L284 WeakPolarHBondContact CG2-O 3.24Å; N279-L284 HydrophobicContact CB-CB 4.31Å; N279-L284 HydrophobicContact CB-CD1 3.71Å; N279-L284 HydrophobicContact CB-CG 3.7Å; N279-L284 WeakPolarHBondContact OD1-CB 3.21Å; N279-L284 PolarHBondContact OD1-N 3.27Å; G282-L284 PolarHBondContact O-N 2.77Å; L284-L286 HydrophobicContact CB-CB 4.5Å; L284-L286 HydrophobicContact CB-CD1 3.94Å; L284-L286 HydrophobicContact CB-CG 4.12Å; L284-L286 HydrophobicContact CD1-CD1 4.17Å; L284-L286 PolarHBondContact O-N 3.15Å; L284-Q292 HydrophobicContact CD1-CB 3.86Å; L284-Q292 HydrophobicContact CD1-CG 3.75Å
285G91.9Very high91.6Very high1 Ų148 Ų481%0.0125%0.251CS..  trans77.111.9-178.100000113.3G282 K283 L298 S353 L354G282-G285 PolarHBondContact O-N 3.25Å; K283-G285 VanDerWaalsContact C-N 3.29Å; G285-L298 VanDerWaalsContact O-CD2 3.24Å; G285-L298 WeakPolarHBondContact O-CD2 3.5Å; G285-S353 CarbonylContact C-O 3.57Å; G285-S353 WeakPolarHBondContact CA-O 3.22Å; G285-L354 VanDerWaalsContact O-CD2 3.29Å; G285-L354 WeakPolarHBondContact O-CD2 3.4Å
286L90.6Very high91.6Very high25 Ų2550 Ų5013%0.13126%0.264CS..SBendtrans-103.1154-176.2-66170.4000110.2V275 L284 G288 Q292 V296 L298V275-L286 HydrophobicContact CG2-CD1 4.09Å; V275-L286 HydrophobicContact CG2-CD2 4.44Å; V275-L286 HydrophobicContact CG2-CG 4.13Å; L284-L286 HydrophobicContact CB-CB 4.5Å; L284-L286 HydrophobicContact CB-CD1 3.94Å; L284-L286 HydrophobicContact CB-CG 4.12Å; L284-L286 HydrophobicContact CD1-CD1 4.17Å; L284-L286 PolarHBondContact O-N 3.15Å; L286-G288 PolarHBondContact O-N 3.13Å; L286-Q292 HydrophobicContact CD1-CG 3.52Å; L286-V296 HydrophobicContact CD1-CB 4.2Å; L286-V296 HydrophobicContact CD1-CG1 4.22Å; L286-V296 HydrophobicContact CD1-CG2 4.47Å; L286-V296 HydrophobicContact CD2-CB 4.44Å; L286-V296 HydrophobicContact CD2-CG1 3.74Å; L286-L298 HydrophobicContact CD2-CD2 3.55Å; L286-L298 HydrophobicContact CG-CD2 3.99Å
287E81.3Confident91.5Very high186 Ų18655.2 Ų55.287%0.86929%0.286SS*.SBendtrans-61.4128.2170-67-174.5177.500110.5
288G80.3Confident91.4Very high50 Ų5055.5 Ų55.552%0.51529%0.288SS..SBendtrans83.8-174.7-176.600000114.8N279 L286N279-G288 PolarHBondContact ND2-O 3.12Å; N279-G288 VanDerWaalsContact ND2-O 3.14Å; L286-G288 PolarHBondContact O-N 3.13Å
289V76.8Confident91.3Very high105 Ų10557.5 Ų57.564%0.63630%0.303SS*.SBendtrans-115.911.7-171.4-63.60000113.6N279N279-V289 WeakPolarHBondContact ND2-CA 3.17Å
290R89.2Confident91.1Very high207 Ų20763.4 Ų63.478%0.78133%0.329SS*.  trans-72134.4-179.4-67.9-175-179.6-176.81.1110.2N279N279-R290 WeakPolarHBondContact CB-O 3.19Å; N279-R290 PolarHBondContact ND2-O 2.83Å
291C93Very high91.1Very high64 Ų6467.8 Ų67.843%0.43234%0.343SS..  trans-65.8151.4168.4-60.50000109G277 N279G277-C291 WeakPolarHBondContact O-CA 3.46Å; G277-C291 WeakPolarHBondContact O-CB 3.5Å; N279-C291 PolarHBondContact N-SG 2.83Å; N279-C291 VanDerWaalsContact N-SG 3.39Å
292Q96.2Very high91.4Very high64 Ų6464.5 Ų64.530%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-117.1127.9175.8-65.1-64.1-1200107.9W276 G277 L284 L286 V296W276-Q292 HydrophobicContact CB-CB 4.39Å; G277-Q292 VanDerWaalsContact CA-O 3.27Å; G277-Q292 WeakPolarHBondContact CA-O 2.64Å; G277-Q292 PolarHBondContact N-O 3.27Å; G277-Q292 PolarHBondContact O-N 2.97Å; L284-Q292 HydrophobicContact CD1-CB 3.86Å; L284-Q292 HydrophobicContact CD1-CG 3.75Å; L286-Q292 HydrophobicContact CD1-CG 3.52Å; Q292-V296 HydrophobicContact CB-CG2 4.09Å; Q292-V296 HydrophobicContact CG-CG2 3.77Å
293T96.9Very high91.7Very high49 Ų4964.8 Ų64.830%0.30133%0.333SS..EExtended strand (participates in β ladder)trans-99.6-0.2177.861.50000112.1G228 F229 G230 L233G228-T293 CarbonylContact C-O 3.56Å; G228-T293 WeakPolarHBondContact CA-O 3.24Å; F229-T293 PolarHBondContact N-O 2.84Å; G230-T293 WeakPolarHBondContact CA-O 3.49Å; G230-T293 WeakPolarHBondContact CA-OG1 3.22Å; G230-T293 PolarHBondContact N-O 2.98Å; G230-T293 WeakPolarHBondContact O-CB 3.27Å; G230-T293 PolarHBondContact O-OG1 2.87Å; L233-T293 HydrophobicContact CD2-CG2 3.84Å
294E96.7Very high91.7Very high64 Ų6470.7 Ų70.730%0.29937%0.365SS..EExtended strand (participates in β ladder)trans-126.2152.5172.2-58.8-163.8166.600110.2G230 R244 W276 V296G230-E294 WeakPolarHBondContact CA-OE1 3.38Å; R244-E294 IonicContact CZ-OE1 3.45Å; R244-E294 IonicContact CZ-OE2 2.64Å; R244-E294 VanDerWaalsContact NE-CD 3.26Å; R244-E294 IonicContact NE-OE1 3.82Å; R244-E294 PolarHBondContact NE-OE1 3.03Å; R244-E294 VanDerWaalsContact NE-OE1 3.16Å; R244-E294 IonicContact NE-OE2 2.62Å; R244-E294 PolarHBondContact NE-OE2 2.89Å; R244-E294 IonicContact NH2-OE1 3.16Å; R244-E294 PolarHBondContact NH2-OE1 3.12Å; R244-E294 IonicContact NH2-OE2 3.37Å; W276-E294 VanDerWaalsContact CB-O 3.32Å; W276-E294 WeakPolarHBondContact CB-O 3.46Å; E294-V296 PolarHBondContact O-N 3.38Å
295P98.3Very high91.7Very high23 Ų2374.8 Ų74.815%0.14938%0.383CS..EExtended strand (participates in β ladder)trans-57.3123.6175-26.436.2000113V242 L245 F274 W276V242-P295 HydrophobicContact CG1-CG 3.98Å; L245-P295 HydrophobicContact CD1-CB 4.06Å; L245-P295 HydrophobicContact CD1-CG 3.92Å; L245-P295 HydrophobicContact CD2-CB 3.79Å; L245-P295 HydrophobicContact CD2-CG 4.31Å; L245-P295 HydrophobicContact CG-CB 3.95Å; L245-P295 HydrophobicContact CG-CG 3.9Å; F274-P295 HydrophobicContact CD1-CB 4.46Å; W276-P295 HydrophobicContact CD2-CB 4.16Å; W276-P295 HydrophobicContact CD2-CG 3.89Å; W276-P295 HydrophobicContact CE3-CB 3.55Å; W276-P295 HydrophobicContact CE3-CG 3.73Å; W276-P295 HydrophobicContact CG-CG 4.46Å; W276-P295 HydrophobicContact CH2-CG 4.38Å; W276-P295 HydrophobicContact CZ3-CB 3.85Å; W276-P295 HydrophobicContact CZ3-CG 4Å
296V97.3Very high91.9Very high43 Ų4380.5 Ų80.526%0.26141%0.405SS..EExtended strand (participates in β ladder)trans-113.3132174.2-176.70000109.5F274 V275 L286 Q292 E294F274-V296 CarbonylContact C-O 3.43Å; F274-V296 VanDerWaalsContact CA-O 3.27Å; F274-V296 WeakPolarHBondContact CA-O 3.43Å; V275-V296 PolarHBondContact N-O 3.26Å; V275-V296 PolarHBondContact O-N 3.1Å; L286-V296 HydrophobicContact CD1-CB 4.2Å; L286-V296 HydrophobicContact CD1-CG1 4.22Å; L286-V296 HydrophobicContact CD1-CG2 4.47Å; L286-V296 HydrophobicContact CD2-CB 4.44Å; L286-V296 HydrophobicContact CD2-CG1 3.74Å; Q292-V296 HydrophobicContact CB-CG2 4.09Å; Q292-V296 HydrophobicContact CG-CG2 3.77Å; E294-V296 PolarHBondContact O-N 3.38Å
297K96.5Very high92.1Very high109 Ų10985.5 Ų85.547%0.47442%0.422SS..EExtended strand (participates in β ladder)trans-75.4126.8175.5-173.5-179.1179.9177.30110.4E272 F274E272-K297 VanDerWaalsContact OE1-CE 3.28Å; E272-K297 WeakPolarHBondContact OE1-CE 3.19Å; E272-K297 IonicContact OE1-NZ 3.13Å; E272-K297 PolarHBondContact OE1-NZ 2.88Å; F274-K297 HydrophobicContact CD1-CB 3.92Å; F274-K297 HydrophobicContact CE1-CB 3.66Å; F274-K297 HydrophobicContact CE1-CD 4.48Å; F274-K297 HydrophobicContact CE1-CG 4.13Å; F274-K297 HydrophobicContact CZ-CB 4.18Å; F274-K297 HydrophobicContact CZ-CD 4.24Å; F274-K297 HydrophobicContact CZ-CG 4.13Å
298L95.2Very high92.9Very high7 Ų776.8 Ų76.84%0.03738%0.381CS..PPolyproline II helixtrans-74.6144.3169.5-74.2-173.9000111.4L273 V275 G285 L286 K300 L302 W330L273-L298 HydrophobicContact CB-CB 4.49Å; L273-L298 HydrophobicContact CD2-CD1 3.74Å; L273-L298 HydrophobicContact CG-CD1 4.05Å; L273-L298 PolarHBondContact O-N 2.96Å; V275-L298 HydrophobicContact CG1-CD1 3.7Å; V275-L298 HydrophobicContact CG1-CG 3.89Å; V275-L298 HydrophobicContact CG2-CD1 4.46Å; V275-L298 HydrophobicContact CG2-CD2 3.93Å; V275-L298 HydrophobicContact CG2-CG 3.91Å; G285-L298 VanDerWaalsContact O-CD2 3.24Å; G285-L298 WeakPolarHBondContact O-CD2 3.5Å; L286-L298 HydrophobicContact CD2-CD2 3.55Å; L286-L298 HydrophobicContact CG-CD2 3.99Å; L298-K300 PolarHBondContact O-N 2.91Å; L298-L302 HydrophobicContact CB-CD1 4.39Å; L298-L302 HydrophobicContact CD2-CD1 4.29Å; L298-W330 HydrophobicContact CD1-CZ2 4.28Å
299S92.6Very high93.7Very high57 Ų5777.4 Ų77.440%0.39938%0.375SS..PPolyproline II helixtrans-67.5130.2176.8-178.90000111.1H301 L302S299-H301 PolarHBondContact O-N 3.48Å; S299-H301 PolarHBondContact OG-CD2 2.81Å; S299-H301 PolarHBondContact OG-N 3.16Å; S299-L302 VanDerWaalsContact O-CB 3.29Å; S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 WeakPolarHBondContact O-CG 3.19Å; S299-L302 PolarHBondContact O-N 2.79Å; S299-L302 VanDerWaalsContact O-N 3.12Å
300K88.8Confident94.7Very high125 Ų12576.4 Ų76.454%0.54336%0.362SS..G310 helixtrans-63.2-21175.656165.6-179.5157.40113.6L298 L302 F303 L304 E305L298-K300 PolarHBondContact O-N 2.91Å; K300-L302 PolarHBondContact O-N 3.15Å; K300-F303 CarbonylContact O-C 3.59Å; K300-F303 PolarHBondContact O-N 2.63Å; K300-L304 PolarHBondContact O-N 2.8Å; K300-E305 WeakPolarHBondContact CD-OE2 3.14Å; K300-E305 WeakPolarHBondContact CE-OE2 3.31Å; K300-E305 WeakPolarHBondContact CG-OE1 3.49Å; K300-E305 IonicContact NZ-OE2 3.24Å; K300-E305 PolarHBondContact NZ-OE2 2.92Å; K300-E305 PolarHBondContact O-N 3.37Å; K300-E305 VanDerWaalsContact O-N 3.09Å
301H91.2Very high95.1Very high131 Ų13167 Ų6761%0.60633%0.327SS*.G310 helixtrans-59.3-29.1173.9-66.1-53.2000111.9S299 F303 L304 E305S299-H301 PolarHBondContact O-N 3.48Å; S299-H301 PolarHBondContact OG-CD2 2.81Å; S299-H301 PolarHBondContact OG-N 3.16Å; H301-F303 PolarHBondContact O-N 3.2Å; H301-L304 PolarHBondContact O-N 2.78Å; H301-L304 VanDerWaalsContact O-N 3.12Å; H301-E305 WeakPolarHBondContact CA-OE1 2.97Å; H301-E305 IonicContact CE1-OE1 2.6Å; H301-E305 PolarHBondContact CE1-OE1 3.37Å; H301-E305 IonicContact CG-OE1 2.79Å; H301-E305 PolarHBondContact N-OE1 3.35Å; H301-E305 IonicContact ND1-OE1 3.35Å; H301-E305 PolarHBondContact ND1-OE1 3.33Å
302L92Very high95.3Very high40 Ų4064.6 Ų64.621%0.20931%0.311CS..G310 helixtrans-64.5-21.1176.1-59171.5000112.7L298 S299 K300 L354 P355L298-L302 HydrophobicContact CB-CD1 4.39Å; L298-L302 HydrophobicContact CD2-CD1 4.29Å; S299-L302 VanDerWaalsContact O-CB 3.29Å; S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 WeakPolarHBondContact O-CG 3.19Å; S299-L302 PolarHBondContact O-N 2.79Å; S299-L302 VanDerWaalsContact O-N 3.12Å; K300-L302 PolarHBondContact O-N 3.15Å; L302-L354 HydrophobicContact CD2-CB 4.28Å; L302-L354 HydrophobicContact CD2-CD1 4.22Å; L302-L354 HydrophobicContact CD2-CD2 4.14Å; L302-L354 HydrophobicContact CD2-CG 4.45Å; L302-P355 HydrophobicContact CB-CB 4.29Å; L302-P355 HydrophobicContact CB-CG 4Å; L302-P355 HydrophobicContact CD1-CG 4.22Å
303F94.1Very high95.3Very high6 Ų661.6 Ų61.63%0.02630%0.297CS..G310 helixtrans-112.525.4178.1-57-77.6000111.6L273 K300 H301 E305 R306 V308 A320 T322 Y328 W330 P355L273-F303 HydrophobicContact CD2-CE2 4.16Å; L273-F303 HydrophobicContact CD2-CZ 3.79Å; K300-F303 CarbonylContact O-C 3.59Å; K300-F303 PolarHBondContact O-N 2.63Å; H301-F303 PolarHBondContact O-N 3.2Å; F303-E305 VanDerWaalsContact C-N 3.27Å; F303-E305 PolarHBondContact O-N 2.86Å; F303-R306 VanDerWaalsContact O-CB 3.23Å; F303-R306 WeakPolarHBondContact O-CB 3.33Å; F303-R306 PolarHBondContact O-N 3.11Å; F303-V308 HydrophobicContact CD1-CG2 4.01Å; F303-V308 HydrophobicContact CD2-CG2 4.03Å; F303-V308 HydrophobicContact CE1-CG2 4.07Å; F303-V308 HydrophobicContact CE2-CG2 4.1Å; F303-V308 HydrophobicContact CG-CG2 3.98Å; F303-V308 HydrophobicContact CZ-CG2 4.12Å; F303-A320 HydrophobicContact CE1-CB 4.05Å; F303-T322 HydrophobicContact CB-CG2 4.01Å; F303-T322 HydrophobicContact CD1-CG2 4.13Å; F303-T322 HydrophobicContact CG-CG2 4.42Å; F303-Y328 HydrophobicContact CD1-CD1 4.07Å; F303-Y328 AromaticContact CD1-CD2 3.93Å; F303-Y328 HydrophobicContact CD1-CD2 3.93Å; F303-Y328 HydrophobicContact CD1-CE1 4.47Å; F303-Y328 HydrophobicContact CD1-CE2 4.34Å; F303-Y328 AromaticContact CD1-CG 3.78Å; F303-Y328 HydrophobicContact CD1-CG 3.78Å; F303-Y328 HydrophobicContact CE1-CD1 4.45Å; F303-Y328 HydrophobicContact CE1-CG 4.06Å; F303-W330 HydrophobicContact CE1-CZ3 4.28Å; F303-W330 HydrophobicContact CZ-CH2 4.34Å; F303-W330 HydrophobicContact CZ-CZ3 4.26Å; F303-P355 HydrophobicContact CD1-CB 4.33Å; F303-P355 HydrophobicContact CE1-CB 3.66Å; F303-P355 HydrophobicContact CE1-CG 3.97Å; F303-P355 HydrophobicContact CE2-CG 4.18Å; F303-P355 HydrophobicContact CZ-CB 3.82Å; F303-P355 HydrophobicContact CZ-CG 3.56Å
304L93.3Very high95.1Very high129 Ų12959.3 Ų59.368%0.67528%0.283SS*.THydrogen-bonded Turntrans52.144.3-179.2-56.9179.2000112.9K300 H301 R306K300-L304 PolarHBondContact O-N 2.8Å; H301-L304 PolarHBondContact O-N 2.78Å; H301-L304 VanDerWaalsContact O-N 3.12Å; L304-R306 PolarHBondContact O-N 2.83Å; L304-R306 VanDerWaalsContact O-N 3.11Å
305E93.2Very high94.9Very high85 Ų8556.6 Ų56.640%0.39727%0.272SS..THydrogen-bonded Turntrans63.59.7-177.3-57.6-60.9102.900115.2K300 H301 F303K300-E305 WeakPolarHBondContact CD-OE2 3.14Å; K300-E305 WeakPolarHBondContact CE-OE2 3.31Å; K300-E305 WeakPolarHBondContact CG-OE1 3.49Å; K300-E305 IonicContact NZ-OE2 3.24Å; K300-E305 PolarHBondContact NZ-OE2 2.92Å; K300-E305 PolarHBondContact O-N 3.37Å; K300-E305 VanDerWaalsContact O-N 3.09Å; H301-E305 WeakPolarHBondContact CA-OE1 2.97Å; H301-E305 IonicContact CE1-OE1 2.6Å; H301-E305 PolarHBondContact CE1-OE1 3.37Å; H301-E305 IonicContact CG-OE1 2.79Å; H301-E305 PolarHBondContact N-OE1 3.35Å; H301-E305 IonicContact ND1-OE1 3.35Å; H301-E305 PolarHBondContact ND1-OE1 3.33Å; F303-E305 VanDerWaalsContact C-N 3.27Å; F303-E305 PolarHBondContact O-N 2.86Å
306R95.6Very high94.5Very high121 Ų12156.6 Ų56.646%0.45727%0.271SS..PPolyproline II helixtrans-84.7150.9177.3-61.2-64.8-178.3172.1-4.4111.9F303 L304 T322 D323F303-R306 VanDerWaalsContact O-CB 3.23Å; F303-R306 WeakPolarHBondContact O-CB 3.33Å; F303-R306 PolarHBondContact O-N 3.11Å; L304-R306 PolarHBondContact O-N 2.83Å; L304-R306 VanDerWaalsContact O-N 3.11Å; R306-T322 HydrophobicContact CB-CG2 3.87Å; R306-D323 WeakPolarHBondContact CD-OD1 3.39Å
307R96.5Very high94.3Very high130 Ų13054.5 Ų54.549%0.49126%0.258SS..PPolyproline II helixtrans-77.5135.5172.7-64.8-174.1-57.31484.2109.3R270 T322 D323R270-R307 WeakPolarHBondContact O-CD 3.34Å; R270-R307 WeakPolarHBondContact O-CG 3.47Å; R307-T322 CarbonylContact O-C 3.58Å; R307-T322 WeakPolarHBondContact O-CA 3.34Å; R307-D323 IonicContact CZ-OD2 2.59Å; R307-D323 IonicContact NE-OD2 3.8Å; R307-D323 PolarHBondContact NE-OD2 2.88Å; R307-D323 IonicContact NH2-OD2 3.62Å; R307-D323 PolarHBondContact NH2-OD2 2.78Å; R307-D323 PolarHBondContact O-N 2.91Å
308V97.8Very high94.3Very high3 Ų349.3 Ų49.32%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-77.1138.9167.5176.60000108.7L267 G271 F303 K310 A320 I321 T322L267-V308 HydrophobicContact CD1-CB 3.79Å; L267-V308 HydrophobicContact CD1-CG1 3.76Å; L267-V308 HydrophobicContact CD2-CG1 4.48Å; G271-V308 WeakPolarHBondContact CA-O 3.4Å; G271-V308 PolarHBondContact O-N 2.89Å; G271-V308 VanDerWaalsContact O-N 3.13Å; F303-V308 HydrophobicContact CD1-CG2 4.01Å; F303-V308 HydrophobicContact CD2-CG2 4.03Å; F303-V308 HydrophobicContact CE1-CG2 4.07Å; F303-V308 HydrophobicContact CE2-CG2 4.1Å; F303-V308 HydrophobicContact CG-CG2 3.98Å; F303-V308 HydrophobicContact CZ-CG2 4.12Å; V308-K310 WeakPolarHBondContact CG1-O 3.36Å; V308-A320 HydrophobicContact CG1-CB 3.96Å; V308-A320 HydrophobicContact CG2-CB 4.43Å; V308-I321 CarbonylContact C-O 3.51Å; V308-I321 WeakPolarHBondContact CA-O 3.45Å; V308-T322 HydrophobicContact CG2-CG2 4.48Å
309V97.4Very high94.3Very high64 Ų6449 Ų4939%0.38823%0.234SC..EExtended strand (participates in β ladder)trans-122.4-21.2-179.1-63.10000113.5I321 D323V309-I321 HydrophobicContact CG2-CB 4.38Å; V309-I321 HydrophobicContact CG2-CG2 4.13Å; V309-I321 WeakPolarHBondContact CG2-O 3.48Å; V309-I321 PolarHBondContact N-O 3.43Å; V309-D323 HydrophobicContact CG1-CB 3.73Å
310K97.2Very high94.5Very high83 Ų8346.3 Ų46.336%0.36122%0.215SC..EExtended strand (participates in β ladder)trans-143.4150173.5-67.3-71.2-170162.30109.7V308 A320 I321 V370V308-K310 WeakPolarHBondContact CG1-O 3.36Å; K310-A320 CarbonylContact O-C 3.57Å; K310-A320 VanDerWaalsContact O-CA 3.3Å; K310-A320 WeakPolarHBondContact O-CA 3.48Å; K310-I321 HydrophobicContact CB-CB 4.09Å; K310-I321 HydrophobicContact CB-CD1 4.11Å; K310-I321 HydrophobicContact CB-CG1 4.32Å; K310-I321 PolarHBondContact N-O 2.85Å; K310-I321 PolarHBondContact O-N 3.16Å; K310-V370 HydrophobicContact CB-CG1 4.17Å
311L97.2Very high94.9Very high10 Ų1040.4 Ų40.45%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-144.9158.2174.857.374.4000111.1L265 L267 L273 V319L265-L311 HydrophobicContact CB-CD1 4Å; L265-L311 HydrophobicContact CB-CD2 3.98Å; L265-L311 HydrophobicContact CD1-CB 4.44Å; L265-L311 HydrophobicContact CD1-CD1 4.35Å; L267-L311 HydrophobicContact CB-CD2 3.71Å; L267-L311 HydrophobicContact CB-CG 4.43Å; L273-L311 HydrophobicContact CD1-CD2 3.39Å; L311-V319 CarbonylContact C-O 3.56Å; L311-V319 VanDerWaalsContact CA-O 3.3Å; L311-V319 WeakPolarHBondContact CA-O 3.38Å
312C97.1Very high95.1Very high14 Ų1434.1 Ų34.110%0.09516%0.161CC..EExtended strand (participates in β ladder)trans-150.2131.8170.8-163.30000109.8N318 V319 V370 C372C312-N318 WeakPolarHBondContact O-CA 3.17Å; C312-V319 PolarHBondContact N-O 3.05Å; C312-V319 PolarHBondContact O-N 3.22Å; C312-V370 HydrophobicContact CB-CG1 4.28Å; C312-V370 HydrophobicContact CB-CG2 4.45Å; C312-C372 PolarHBondContact O-SG 3.03Å; C312-C372 VanDerWaalsContact O-SG 3.32Å; C312-C372 PolarHBondContact SG-N 3.02Å; C312-C372 VanDerWaalsContact SG-SG 3.65Å
313A96.1Very high95.3Very high1 Ų135 Ų351%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-94.6110.5175.600000110.1S254 L265S254-A313 PolarHBondContact OG-N 3.07Å; L265-A313 HydrophobicContact CD1-CB 3.87Å; L265-A313 HydrophobicContact CG-CB 4Å
314G93.7Very high95.2Very high0 Ų037.4 Ų37.40%018%0.179CC..  trans-77.2-174.9167.100000110.5S256 H263 H317 C372 S373S256-G314 WeakPolarHBondContact CB-O 3.24Å; H263-G314 PolarHBondContact CE1-O 3.12Å; H263-G314 VanDerWaalsContact CE1-O 3.28Å; G314-H317 CarbonylContact C-O 3.56Å; G314-H317 VanDerWaalsContact CA-O 3.23Å; G314-H317 WeakPolarHBondContact CA-O 3.5Å; G314-H317 PolarHBondContact N-O 2.99Å; G314-C372 PolarHBondContact N-SG 2.85Å; G314-S373 VanDerWaalsContact CA-O 3.28Å; G314-S373 WeakPolarHBondContact CA-O 3.4Å
315S92Very high95.2Very high8 Ų831.8 Ų31.86%0.05615%0.151CC..SBendtrans-68.4-37.5179.3-63.40000113.1K257 G258 K283 S373 A374K257-S315 VanDerWaalsContact C-OG 3.3Å; K257-S315 PolarHBondContact O-OG 3.42Å; G258-S315 WeakPolarHBondContact CA-OG 3.29Å; G258-S315 PolarHBondContact N-OG 3.16Å; K283-S315 PolarHBondContact NZ-O 3.16Å; K283-S315 VanDerWaalsContact NZ-O 3.13Å; S315-S373 PolarHBondContact N-O 2.81Å; S315-A374 VanDerWaalsContact OG-CA 3.29Å; S315-A374 WeakPolarHBondContact OG-CA 3.37Å; S315-A374 VanDerWaalsContact OG-CB 3.24Å; S315-A374 WeakPolarHBondContact OG-CB 3.37Å
316V90.7Very high95.2Very high22 Ų2229.4 Ų29.413%0.13314%0.143CC..SBendtrans-136.6-0.7-169.9-67.40000113Y281 K332 I337Y281-V316 HydrophobicContact CD2-CB 4.35Å; Y281-V316 HydrophobicContact CD2-CG1 4.38Å; Y281-V316 HydrophobicContact CE2-CG1 4.18Å; V316-K332 HydrophobicContact CB-CB 3.8Å; V316-K332 HydrophobicContact CB-CD 4.13Å; V316-K332 HydrophobicContact CG1-CD 4.47Å; V316-K332 HydrophobicContact CG2-CB 3.79Å; V316-K332 HydrophobicContact CG2-CD 3.84Å; V316-K332 HydrophobicContact CG2-CG 4.47Å; V316-K332 PolarHBondContact O-N 2.85Å; V316-I337 HydrophobicContact CG2-CD1 3.79Å
317H92.6Very high95.2Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-144.3169.817874.3-66.9000110.1G314 W330 I337 L338 S373 T377G314-H317 CarbonylContact C-O 3.56Å; G314-H317 VanDerWaalsContact CA-O 3.23Å; G314-H317 WeakPolarHBondContact CA-O 3.5Å; G314-H317 PolarHBondContact N-O 2.99Å; H317-W330 CarbonylContact C-O 3.6Å; H317-W330 WeakPolarHBondContact CA-O 3.24Å; H317-W330 VanDerWaalsContact CB-O 3.26Å; H317-W330 WeakPolarHBondContact CB-O 3.43Å; H317-I337 HydrophobicContact CB-CD1 4.19Å; H317-I337 HydrophobicContact CB-CG1 4.49Å; H317-L338 HydrophobicContact CB-CD2 3.8Å; H317-S373 PolarHBondContact CE1-O 2.87Å; H317-T377 PolarHBondContact NE2-OG1 2.92Å
318N95.4Very high95.1Very high0 Ų018.7 Ų18.70%010%0.104CC..EExtended strand (participates in β ladder)trans-133.6162.2176.1-49.2-72.6000110H263 L265 K283 C312 S329 W330H263-N318 PolarHBondContact NE2-OD1 3.39Å; L265-N318 HydrophobicContact CD1-CB 3.9Å; L265-N318 WeakPolarHBondContact CD1-OD1 3.31Å; K283-N318 PolarHBondContact O-ND2 3.27Å; C312-N318 WeakPolarHBondContact O-CA 3.17Å; N318-S329 WeakPolarHBondContact O-CA 3.22Å; N318-S329 WeakPolarHBondContact O-CB 3.01Å; N318-W330 HydrophobicContact CB-CD2 4Å; N318-W330 HydrophobicContact CB-CE3 4.25Å; N318-W330 HydrophobicContact CB-CH2 3.71Å; N318-W330 HydrophobicContact CB-CZ2 3.45Å; N318-W330 VanDerWaalsContact CB-CZ2 3.45Å; N318-W330 HydrophobicContact CB-CZ3 4.11Å; N318-W330 PolarHBondContact N-O 3.33Å; N318-W330 PolarHBondContact ND2-NE1 3.23Å; N318-W330 PolarHBondContact O-N 3.39Å
319V95.9Very high95Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-138.4139.8175.5-163.80000108.4L311 C312 V327 Y328 V370 C372 T377L311-V319 CarbonylContact C-O 3.56Å; L311-V319 VanDerWaalsContact CA-O 3.3Å; L311-V319 WeakPolarHBondContact CA-O 3.38Å; C312-V319 PolarHBondContact N-O 3.05Å; C312-V319 PolarHBondContact O-N 3.22Å; V319-V327 HydrophobicContact CG1-CG1 3.44Å; V319-V327 VanDerWaalsContact CG1-CG1 3.44Å; V319-Y328 CarbonylContact C-O 3.11Å; V319-Y328 VanDerWaalsContact CA-O 3.24Å; V319-Y328 WeakPolarHBondContact CA-O 3.33Å; V319-Y328 WeakPolarHBondContact CG1-O 3.27Å; V319-V370 HydrophobicContact CB-CG2 3.73Å; V319-V370 HydrophobicContact CG1-CG2 3.58Å; V319-V370 HydrophobicContact CG2-CG2 4.4Å; V319-C372 HydrophobicContact CG2-CB 4.01Å; V319-T377 HydrophobicContact CB-CG2 4.47Å; V319-T377 HydrophobicContact CG1-CG2 4.31Å; V319-T377 HydrophobicContact CG2-CG2 3.68Å
320A97.1Very high94.8Very high0 Ų015.5 Ų15.50%09%0.085CC..EExtended strand (participates in β ladder)trans-134.3147.117600000109.9F303 V308 K310 V327 Y328 W330F303-A320 HydrophobicContact CE1-CB 4.05Å; V308-A320 HydrophobicContact CG1-CB 3.96Å; V308-A320 HydrophobicContact CG2-CB 4.43Å; K310-A320 CarbonylContact O-C 3.57Å; K310-A320 VanDerWaalsContact O-CA 3.3Å; K310-A320 WeakPolarHBondContact O-CA 3.48Å; A320-V327 WeakPolarHBondContact O-CA 3.5Å; A320-Y328 PolarHBondContact N-O 2.93Å; A320-Y328 PolarHBondContact O-N 2.96Å; A320-W330 HydrophobicContact CB-CH2 4.07Å; A320-W330 HydrophobicContact CB-CZ3 3.85Å
321I96.6Very high94.5Very high1 Ų111.6 Ų11.61%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-112.9135171.5-57.3171.5000107.8V308 V309 K310 V326 V327 A367 V370V308-I321 CarbonylContact C-O 3.51Å; V308-I321 WeakPolarHBondContact CA-O 3.45Å; V309-I321 HydrophobicContact CG2-CB 4.38Å; V309-I321 HydrophobicContact CG2-CG2 4.13Å; V309-I321 WeakPolarHBondContact CG2-O 3.48Å; V309-I321 PolarHBondContact N-O 3.43Å; K310-I321 HydrophobicContact CB-CB 4.09Å; K310-I321 HydrophobicContact CB-CD1 4.11Å; K310-I321 HydrophobicContact CB-CG1 4.32Å; K310-I321 PolarHBondContact N-O 2.85Å; K310-I321 PolarHBondContact O-N 3.16Å; I321-V326 WeakPolarHBondContact CA-O 2.94Å; I321-V327 HydrophobicContact CG1-CG2 4.43Å; I321-A367 HydrophobicContact CD1-CB 3.73Å; I321-A367 HydrophobicContact CG1-CB 4.01Å; I321-A367 HydrophobicContact CG2-CB 3.97Å; I321-V370 HydrophobicContact CD1-CB 3.82Å; I321-V370 HydrophobicContact CD1-CG1 3.8Å; I321-V370 HydrophobicContact CG1-CB 4.28Å; I321-V370 HydrophobicContact CG1-CG1 4.06Å
322T96.4Very high94.1Very high0 Ų013.6 Ų13.60%08%0.076CC..EExtended strand (participates in β ladder)trans-93.7163.3175.446.90000111.7F303 R306 R307 V308 N324 G325 V326 Y328F303-T322 HydrophobicContact CB-CG2 4.01Å; F303-T322 HydrophobicContact CD1-CG2 4.13Å; F303-T322 HydrophobicContact CG-CG2 4.42Å; R306-T322 HydrophobicContact CB-CG2 3.87Å; R307-T322 CarbonylContact O-C 3.58Å; R307-T322 WeakPolarHBondContact O-CA 3.34Å; V308-T322 HydrophobicContact CG2-CG2 4.48Å; T322-N324 PolarHBondContact O-N 3.16Å; T322-N324 VanDerWaalsContact O-N 3.11Å; T322-N324 PolarHBondContact OG1-OD1 3.06Å; T322-G325 WeakPolarHBondContact O-CA 3.38Å; T322-G325 PolarHBondContact O-N 2.86Å; T322-V326 PolarHBondContact N-O 3.39Å; T322-V326 WeakPolarHBondContact OG1-CB 3.42Å; T322-V326 PolarHBondContact OG1-N 2.86Å; T322-V326 PolarHBondContact OG1-O 2.88Å; T322-Y328 HydrophobicContact CG2-CD2 3.94Å; T322-Y328 HydrophobicContact CG2-CE2 3.73Å
323D95.1Very high93.2Very high59 Ų5913 Ų1332%0.3167%0.072SC..THydrogen-bonded Turntrans-62.2-17.9-174.363.42.4000115.6R306 R307 V309R306-D323 WeakPolarHBondContact CD-OD1 3.39Å; R307-D323 IonicContact CZ-OD2 2.59Å; R307-D323 IonicContact NE-OD2 3.8Å; R307-D323 PolarHBondContact NE-OD2 2.88Å; R307-D323 IonicContact NH2-OD2 3.62Å; R307-D323 PolarHBondContact NH2-OD2 2.78Å; R307-D323 PolarHBondContact O-N 2.91Å; V309-D323 HydrophobicContact CG1-CB 3.73Å
324N93.3Very high92.1Very high56 Ų5614.6 Ų14.630%0.2998%0.083SC..THydrogen-bonded Turntrans-89.32.3171.167.2-13.5000113.7T322 V326T322-N324 PolarHBondContact O-N 3.16Å; T322-N324 VanDerWaalsContact O-N 3.11Å; T322-N324 PolarHBondContact OG1-OD1 3.06Å; N324-V326 WeakPolarHBondContact OD1-CG2 3.31Å; N324-V326 PolarHBondContact OD1-N 3.46Å
325G92.8Very high91.1Very high10 Ų1017.6 Ų17.610%0.10310%0.099CC..SBendtrans86.89.9177.600000115.2T322 A367T322-G325 WeakPolarHBondContact O-CA 3.38Å; T322-G325 PolarHBondContact O-N 2.86Å; G325-A367 WeakPolarHBondContact O-CB 3.42Å; G325-A367 PolarHBondContact O-N 2.83Å
326V93.6Very high90.4Very high35 Ų3517.2 Ų17.221%0.21210%0.097CC..  trans-80.6134.1177.3179.60000110.3I321 T322 N324 Y328I321-V326 WeakPolarHBondContact CA-O 2.94Å; T322-V326 PolarHBondContact N-O 3.39Å; T322-V326 WeakPolarHBondContact OG1-CB 3.42Å; T322-V326 PolarHBondContact OG1-N 2.86Å; T322-V326 PolarHBondContact OG1-O 2.88Å; N324-V326 WeakPolarHBondContact OD1-CG2 3.31Å; N324-V326 PolarHBondContact OD1-N 3.46Å; V326-Y328 HydrophobicContact CB-CE2 4.03Å; V326-Y328 HydrophobicContact CG1-CD2 4.11Å; V326-Y328 HydrophobicContact CG1-CE2 3.56Å
327V94.4Very high90.2Very high14 Ų1416.2 Ų16.29%0.0859%0.091CC..EExtended strand (participates in β ladder)trans-93.9129.5179.1-170.20000110.2W8 V319 A320 I321 S357 V358 A367 V379W8-V327 HydrophobicContact CH2-CG1 4.28Å; V319-V327 HydrophobicContact CG1-CG1 3.44Å; V319-V327 VanDerWaalsContact CG1-CG1 3.44Å; A320-V327 WeakPolarHBondContact O-CA 3.5Å; I321-V327 HydrophobicContact CG1-CG2 4.43Å; V327-S357 WeakPolarHBondContact O-CA 3.12Å; V327-V358 HydrophobicContact CB-CB 4.11Å; V327-V358 HydrophobicContact CB-CG2 4.07Å; V327-V358 HydrophobicContact CG1-CB 4.18Å; V327-V358 HydrophobicContact CG1-CG2 3.64Å; V327-V358 PolarHBondContact O-N 3.29Å; V327-A367 HydrophobicContact CG2-CB 3.34Å; V327-V379 HydrophobicContact CG1-CG1 4.4Å; V327-V379 HydrophobicContact CG2-CG1 4.46Å
328Y94.8Very high90Very high13 Ų1316.6 Ų16.65%0.0519%0.092CC..EExtended strand (participates in β ladder)trans-115.5143.7173-71.6-102.7000109.9F303 V319 A320 T322 V326 P355 A356F303-Y328 HydrophobicContact CD1-CD1 4.07Å; F303-Y328 AromaticContact CD1-CD2 3.93Å; F303-Y328 HydrophobicContact CD1-CD2 3.93Å; F303-Y328 HydrophobicContact CD1-CE1 4.47Å; F303-Y328 HydrophobicContact CD1-CE2 4.34Å; F303-Y328 AromaticContact CD1-CG 3.78Å; F303-Y328 HydrophobicContact CD1-CG 3.78Å; F303-Y328 HydrophobicContact CE1-CD1 4.45Å; F303-Y328 HydrophobicContact CE1-CG 4.06Å; V319-Y328 CarbonylContact C-O 3.11Å; V319-Y328 VanDerWaalsContact CA-O 3.24Å; V319-Y328 WeakPolarHBondContact CA-O 3.33Å; V319-Y328 WeakPolarHBondContact CG1-O 3.27Å; A320-Y328 PolarHBondContact N-O 2.93Å; A320-Y328 PolarHBondContact O-N 2.96Å; T322-Y328 HydrophobicContact CG2-CD2 3.94Å; T322-Y328 HydrophobicContact CG2-CE2 3.73Å; V326-Y328 HydrophobicContact CB-CE2 4.03Å; V326-Y328 HydrophobicContact CG1-CD2 4.11Å; V326-Y328 HydrophobicContact CG1-CE2 3.56Å; Y328-P355 HydrophobicContact CD1-CB 4.16Å; Y328-A356 CarbonylContact C-O 3.53Å; Y328-A356 VanDerWaalsContact CA-O 3.3Å; Y328-A356 WeakPolarHBondContact CA-O 3.4Å
329S94.7Very high89.6Confident0 Ų016.6 Ų16.60%09%0.093CC..EExtended strand (participates in β ladder)trans-139.6150.9173.668.20000111.2N318 L338 H340 A356 V358N318-S329 WeakPolarHBondContact O-CA 3.22Å; N318-S329 WeakPolarHBondContact O-CB 3.01Å; S329-L338 PolarHBondContact OG-O 2.92Å; S329-H340 PolarHBondContact O-NE2 2.94Å; S329-H340 PolarHBondContact OG-NE2 3.39Å; S329-A356 PolarHBondContact N-O 3.13Å; S329-A356 PolarHBondContact O-N 2.84Å; S329-A356 VanDerWaalsContact O-N 3.12Å; S329-V358 WeakPolarHBondContact OG-CG2 3.48Å
330W93.4Very high89.2Confident0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-157.9165.8177.667.4100.7000111.5L265 L273 K283 L298 F303 H317 N318 A320 C352 L354 P355L265-W330 HydrophobicContact CD2-CZ2 4.48Å; L273-W330 HydrophobicContact CD2-CH2 3.62Å; L273-W330 HydrophobicContact CD2-CZ2 3.95Å; K283-W330 PolarHBondContact O-NE1 2.81Å; L298-W330 HydrophobicContact CD1-CZ2 4.28Å; F303-W330 HydrophobicContact CE1-CZ3 4.28Å; F303-W330 HydrophobicContact CZ-CH2 4.34Å; F303-W330 HydrophobicContact CZ-CZ3 4.26Å; H317-W330 CarbonylContact C-O 3.6Å; H317-W330 WeakPolarHBondContact CA-O 3.24Å; H317-W330 VanDerWaalsContact CB-O 3.26Å; H317-W330 WeakPolarHBondContact CB-O 3.43Å; N318-W330 HydrophobicContact CB-CD2 4Å; N318-W330 HydrophobicContact CB-CE3 4.25Å; N318-W330 HydrophobicContact CB-CH2 3.71Å; N318-W330 HydrophobicContact CB-CZ2 3.45Å; N318-W330 VanDerWaalsContact CB-CZ2 3.45Å; N318-W330 HydrophobicContact CB-CZ3 4.11Å; N318-W330 PolarHBondContact N-O 3.33Å; N318-W330 PolarHBondContact ND2-NE1 3.23Å; N318-W330 PolarHBondContact O-N 3.39Å; A320-W330 HydrophobicContact CB-CH2 4.07Å; A320-W330 HydrophobicContact CB-CZ3 3.85Å; W330-C352 WeakPolarHBondContact CB-O 3.35Å; W330-L354 WeakPolarHBondContact CB-O 3.43Å; W330-P355 HydrophobicContact CD2-CB 4.32Å; W330-P355 HydrophobicContact CD2-CG 3.88Å; W330-P355 HydrophobicContact CE3-CB 3.83Å; W330-P355 HydrophobicContact CE3-CG 3.79Å; W330-P355 HydrophobicContact CG-CG 4.32Å; W330-P355 HydrophobicContact CZ3-CB 4.33Å; W330-P355 HydrophobicContact CZ3-CG 4.22Å
331G92.1Very high88.1Confident0 Ų021 Ų210%013%0.125CC..EExtended strand (participates in β ladder)trans113.3-144.5-175.300000111.9G333 H351 C352G331-G333 PolarHBondContact O-N 3.4Å; G331-H351 CarbonylContact O-C 3.57Å; G331-H351 VanDerWaalsContact O-CA 3.25Å; G331-H351 WeakPolarHBondContact O-CA 3.34Å; G331-H351 WeakPolarHBondContact O-CB 3.08Å; G331-C352 PolarHBondContact N-O 3.46Å; G331-C352 PolarHBondContact O-N 2.95Å
332K88.1Confident86.7Confident53 Ų5326.3 Ų26.323%0.2315%0.154CC..EExtended strand (participates in β ladder)trans-63.1130.5-179.5-165.4-170.4-169.2-1500110.7Y281 V316 S334 I337 L338Y281-K332 HydrophobicContact CD1-CB 4.42Å; Y281-K332 HydrophobicContact CD1-CG 4.02Å; Y281-K332 HydrophobicContact CD2-CB 3.94Å; Y281-K332 HydrophobicContact CD2-CD 4.26Å; Y281-K332 HydrophobicContact CD2-CG 4.13Å; Y281-K332 HydrophobicContact CE1-CD 4.42Å; Y281-K332 HydrophobicContact CE1-CG 4.3Å; Y281-K332 HydrophobicContact CE2-CD 4.08Å; Y281-K332 HydrophobicContact CE2-CG 4.4Å; Y281-K332 HydrophobicContact CG-CB 3.85Å; Y281-K332 HydrophobicContact CG-CG 3.93Å; V316-K332 HydrophobicContact CB-CB 3.8Å; V316-K332 HydrophobicContact CB-CD 4.13Å; V316-K332 HydrophobicContact CG1-CD 4.47Å; V316-K332 HydrophobicContact CG2-CB 3.79Å; V316-K332 HydrophobicContact CG2-CD 3.84Å; V316-K332 HydrophobicContact CG2-CG 4.47Å; V316-K332 PolarHBondContact O-N 2.85Å; K332-S334 WeakPolarHBondContact CD-OG 3.31Å; K332-S334 WeakPolarHBondContact CE-OG 3.28Å; K332-S334 PolarHBondContact NZ-OG 3.42Å; K332-I337 HydrophobicContact CB-CD1 4.48Å; K332-I337 WeakPolarHBondContact O-CD1 3.37Å; K332-I337 VanDerWaalsContact O-CG1 3.3Å; K332-I337 WeakPolarHBondContact O-CG1 3.04Å; K332-L338 WeakPolarHBondContact O-CG 3.41Å
333G78.3Confident84.9Confident2 Ų229.7 Ų29.72%0.02117%0.168CC..  trans-97.7-11.8-177.700000113.9G331 G336 F343 Q350G331-G333 PolarHBondContact O-N 3.4Å; G333-G336 PolarHBondContact O-N 3.28Å; G333-F343 WeakPolarHBondContact O-CE2 3.28Å; G333-Q350 PolarHBondContact N-O 3.43Å
334S72.5Confident82.9Confident33 Ų3332 Ų3223%0.23119%0.189CC..G310 helixtrans-56.3148.6177.977.10000111.1K332 G336K332-S334 WeakPolarHBondContact CD-OG 3.31Å; K332-S334 WeakPolarHBondContact CE-OG 3.28Å; K332-S334 PolarHBondContact NZ-OG 3.42Å; S334-G336 PolarHBondContact O-N 3.26Å; S334-G336 VanDerWaalsContact O-N 3.16Å
335D72.4Confident81Confident63 Ų6331.9 Ų31.934%0.33719%0.193SC..G310 helixtrans65.616.5175.3-37-60.7000114.2G9 V21 I337G9-D335 CarbonylContact C-O 3.6Å; G9-D335 WeakPolarHBondContact CA-O 3.5Å; V21-D335 WeakPolarHBondContact CG1-O 3.36Å; V21-D335 HydrophobicContact CG2-CB 4.12Å; D335-I337 HydrophobicContact CB-CG2 4.16Å; D335-I337 PolarHBondContact O-N 3.29Å; D335-I337 VanDerWaalsContact O-N 3.15Å
336G78.5Confident79Confident1 Ų141.3 Ų41.31%0.0123%0.231CC..G310 helixtrans69.911.9171.900000114.6G333 S334 L338 G339G333-G336 PolarHBondContact O-N 3.28Å; S334-G336 PolarHBondContact O-N 3.26Å; S334-G336 VanDerWaalsContact O-N 3.16Å; G336-L338 PolarHBondContact O-N 3.26Å; G336-G339 PolarHBondContact O-N 3.13Å; G336-G339 VanDerWaalsContact O-N 3.07Å
337I85.9Confident76.8Confident1 Ų144.2 Ų44.21%0.00526%0.259CS..THydrogen-bonded Turntrans-66.5-11.7-172.367.3-177.4000114.4W8 V316 H317 K332 D335 H375 T377W8-I337 VanDerWaalsContact CD1-O 3.32Å; W8-I337 PolarHBondContact NE1-O 2.87Å; V316-I337 HydrophobicContact CG2-CD1 3.79Å; H317-I337 HydrophobicContact CB-CD1 4.19Å; H317-I337 HydrophobicContact CB-CG1 4.49Å; K332-I337 HydrophobicContact CB-CD1 4.48Å; K332-I337 WeakPolarHBondContact O-CD1 3.37Å; K332-I337 VanDerWaalsContact O-CG1 3.3Å; K332-I337 WeakPolarHBondContact O-CG1 3.04Å; D335-I337 HydrophobicContact CB-CG2 4.16Å; D335-I337 PolarHBondContact O-N 3.29Å; D335-I337 VanDerWaalsContact O-N 3.15Å; I337-H375 WeakPolarHBondContact CG2-O 3.29Å; I337-T377 PolarHBondContact O-OG1 2.72Å
338L88.4Confident74.6Confident7 Ų749.9 Ų49.94%0.03729%0.288CS..THydrogen-bonded Turntrans-85.3-23.9175.2-61.4-177.9000113W8 H317 S329 K332 G336 H340 C352W8-L338 VanDerWaalsContact NE1-C 3.29Å; W8-L338 PolarHBondContact NE1-O 3.19Å; H317-L338 HydrophobicContact CB-CD2 3.8Å; S329-L338 PolarHBondContact OG-O 2.92Å; K332-L338 WeakPolarHBondContact O-CG 3.41Å; G336-L338 PolarHBondContact O-N 3.26Å; L338-H340 VanDerWaalsContact C-N 3.33Å; L338-H340 PolarHBondContact O-CD2 3.09Å; L338-H340 PolarHBondContact O-N 3.45Å; L338-C352 HydrophobicContact CD1-CB 3.55Å
339G87.4Confident72.6Confident1 Ų151.8 Ų51.81%0.0130%0.297CS..  trans74.720.2176.400000114.3W8 P23 G336 V358 A359W8-G339 VanDerWaalsContact CD1-N 3.27Å; P23-G339 CarbonylContact O-C 3.57Å; P23-G339 WeakPolarHBondContact O-CA 3.36Å; G336-G339 PolarHBondContact O-N 3.13Å; G336-G339 VanDerWaalsContact O-N 3.07Å; G339-V358 WeakPolarHBondContact O-CG1 3.38Å; G339-A359 WeakPolarHBondContact O-CB 3.37Å; G339-A359 PolarHBondContact O-N 2.78Å
340H86.9Confident71.2Confident22 Ų2259 Ų5910%0.10233%0.331CS..  trans-84.4138.9-177-59.2163.2000111.6S329 L338 N342 F343 A356S329-H340 PolarHBondContact O-NE2 2.94Å; S329-H340 PolarHBondContact OG-NE2 3.39Å; L338-H340 VanDerWaalsContact C-N 3.33Å; L338-H340 PolarHBondContact O-CD2 3.09Å; L338-H340 PolarHBondContact O-N 3.45Å; H340-N342 VanDerWaalsContact C-N 3.25Å; H340-N342 PolarHBondContact O-N 3.41Å; H340-F343 PolarHBondContact O-N 2.77Å; H340-A356 PolarHBondContact NE2-O 3.46Å
341A75Confident70.2Confident69 Ų6962.6 Ų62.657%0.5735%0.348SS*.G310 helixtrans-58.1-32.8-17800000114.1F343 A359A341-F343 PolarHBondContact O-N 3.38Å; A341-A359 HydrophobicContact CB-CB 4.26Å
342N67.6Low69.8Low113 Ų11363.7 Ų63.760%0.60436%0.355SS*.G310 helixtrans-84.216.4-174.5-68.3-9.5000114.6H340 S344 S345 H349H340-N342 VanDerWaalsContact C-N 3.25Å; H340-N342 PolarHBondContact O-N 3.41Å; N342-S344 PolarHBondContact O-N 2.95Å; N342-S344 VanDerWaalsContact O-N 3.09Å; N342-S345 PolarHBondContact O-N 2.97Å; N342-S345 PolarHBondContact O-OG 2.88Å; N342-H349 PolarHBondContact O-CD2 3.27Å
343F58.3Low69.6Low71 Ų7163.3 Ų63.331%0.31136%0.359SS..G310 helixtrans-56-27.7-176.3-176.5-100.7000114.7P23 G333 H340 A341 S345P23-F343 HydrophobicContact CB-CB 3.99Å; P23-F343 HydrophobicContact CB-CD1 3.25Å; P23-F343 HydrophobicContact CB-CD2 4.12Å; P23-F343 HydrophobicContact CB-CE1 3.66Å; P23-F343 HydrophobicContact CB-CE2 4.48Å; P23-F343 HydrophobicContact CB-CG 3.5Å; P23-F343 VanDerWaalsContact CB-CG 3.5Å; P23-F343 HydrophobicContact CB-CZ 4.26Å; P23-F343 HydrophobicContact CG-CD1 3.74Å; P23-F343 HydrophobicContact CG-CE1 4.15Å; P23-F343 HydrophobicContact CG-CG 4.37Å; G333-F343 WeakPolarHBondContact O-CE2 3.28Å; H340-F343 PolarHBondContact O-N 2.77Å; A341-F343 PolarHBondContact O-N 3.38Å; F343-S345 VanDerWaalsContact C-N 3.28Å; F343-S345 PolarHBondContact O-N 3.16Å
344S53.7Low70Confident108 Ų10866.2 Ų66.276%0.75537%0.373SS*.G310 helixtrans-69.8-16-174.456.80000115N342 K346N342-S344 PolarHBondContact O-N 2.95Å; N342-S344 VanDerWaalsContact O-N 3.09Å; S344-K346 PolarHBondContact O-N 3.24Å
345S52.5Low71Confident54 Ų5465.3 Ų65.338%0.37837%0.367SS..  trans-77.485.6174.567.10000110.6N342 F343 A347 L348N342-S345 PolarHBondContact O-N 2.97Å; N342-S345 PolarHBondContact O-OG 2.88Å; F343-S345 VanDerWaalsContact C-N 3.28Å; F343-S345 PolarHBondContact O-N 3.16Å; S345-A347 PolarHBondContact O-N 3.31Å; S345-L348 PolarHBondContact O-N 2.86Å; S345-L348 VanDerWaalsContact O-N 3.13Å
346K50.3Low71.9Confident208 Ų20863.8 Ų63.890%0.90436%0.363SS*.THydrogen-bonded Turntrans-47.1-22.4-174-77.4-177.8175.11780116.3S344S344-K346 PolarHBondContact O-N 3.24Å
347A48.1Very low72.5Confident96 Ų9667 Ų6779%0.79339%0.385SS*.THydrogen-bonded Turntrans-91.2-26.2-175.600000114.6S345S345-A347 PolarHBondContact O-N 3.31Å
348L46.9Very low72.7Confident132 Ų13267.2 Ų67.269%0.69139%0.387SS*.THydrogen-bonded Turntrans-102.1-12.9-164.4-141.379.9000115.5S345S345-L348 PolarHBondContact O-N 2.86Å; S345-L348 VanDerWaalsContact O-N 3.13Å
349H52.9Low72.4Confident54 Ų5468.1 Ų68.125%0.2540%0.395CS..  trans-123.342.9-169-65.6-54.4000114.8N342 H351N342-H349 PolarHBondContact O-CD2 3.27Å; H349-H351 PolarHBondContact O-N 3.07Å
350Q66.2Low71.4Confident150 Ų15072.6 Ų72.670%0.70143%0.425SS*.SBendtrans-59.4-28.7164.3-69.9-172.8-5.100111.4G333G333-Q350 PolarHBondContact N-O 3.43Å
351H73.2Confident70.3Confident77 Ų7772.8 Ų72.836%0.35643%0.429SS..EExtended strand (participates in β ladder)trans-158.1160.517561.6-72.4000111.2Y281 G331 H349Y281-H351 WeakPolarHBondContact O-CB 3.39Å; Y281-H351 PolarHBondContact O-CD2 3.01Å; G331-H351 CarbonylContact O-C 3.57Å; G331-H351 VanDerWaalsContact O-CA 3.25Å; G331-H351 WeakPolarHBondContact O-CA 3.34Å; G331-H351 WeakPolarHBondContact O-CB 3.08Å; H349-H351 PolarHBondContact O-N 3.07Å
352C82.6Confident69.7Low23 Ų2373.7 Ų73.716%0.15543%0.428CS..EExtended strand (participates in β ladder)trans-122103.8168.1-170.80000106.7W330 G331 L338 L354W330-C352 WeakPolarHBondContact CB-O 3.35Å; G331-C352 PolarHBondContact N-O 3.46Å; G331-C352 PolarHBondContact O-N 2.95Å; L338-C352 HydrophobicContact CD1-CB 3.55Å; C352-L354 PolarHBondContact O-N 3.06Å; C352-L354 PolarHBondContact SG-O 3.21Å
353S83.8Confident69.7Low45 Ų4576.4 Ų76.432%0.31544%0.443SS..EExtended strand (participates in β ladder)trans-76.1-10-173.151.40000114G285G285-S353 CarbonylContact C-O 3.57Å; G285-S353 WeakPolarHBondContact CA-O 3.22Å
354L87.3Confident70.5Confident62 Ų6276.1 Ų76.133%0.32546%0.46SS..EExtended strand (participates in β ladder)trans-125.7149.5-179.9-62.1179.8000110G285 L302 W330 C352 A356G285-L354 VanDerWaalsContact O-CD2 3.29Å; G285-L354 WeakPolarHBondContact O-CD2 3.4Å; L302-L354 HydrophobicContact CD2-CB 4.28Å; L302-L354 HydrophobicContact CD2-CD1 4.22Å; L302-L354 HydrophobicContact CD2-CD2 4.14Å; L302-L354 HydrophobicContact CD2-CG 4.45Å; W330-L354 WeakPolarHBondContact CB-O 3.43Å; C352-L354 PolarHBondContact O-N 3.06Å; C352-L354 PolarHBondContact SG-O 3.21Å; L354-A356 PolarHBondContact O-N 3.5Å
355P92.2Very high72Confident14 Ų1472.8 Ų72.89%0.09144%0.436CS..EExtended strand (participates in β ladder)trans-50.5125.3172.8-26.134.7000112.4L302 F303 Y328 W330L302-P355 HydrophobicContact CB-CB 4.29Å; L302-P355 HydrophobicContact CB-CG 4Å; L302-P355 HydrophobicContact CD1-CG 4.22Å; F303-P355 HydrophobicContact CD1-CB 4.33Å; F303-P355 HydrophobicContact CE1-CB 3.66Å; F303-P355 HydrophobicContact CE1-CG 3.97Å; F303-P355 HydrophobicContact CE2-CG 4.18Å; F303-P355 HydrophobicContact CZ-CB 3.82Å; F303-P355 HydrophobicContact CZ-CG 3.56Å; Y328-P355 HydrophobicContact CD1-CB 4.16Å; W330-P355 HydrophobicContact CD2-CB 4.32Å; W330-P355 HydrophobicContact CD2-CG 3.88Å; W330-P355 HydrophobicContact CE3-CB 3.83Å; W330-P355 HydrophobicContact CE3-CG 3.79Å; W330-P355 HydrophobicContact CG-CG 4.32Å; W330-P355 HydrophobicContact CZ3-CB 4.33Å; W330-P355 HydrophobicContact CZ3-CG 4.22Å
356A91.8Very high73.9Confident31 Ų3177.4 Ų77.426%0.25645%0.446SS..EExtended strand (participates in β ladder)trans-131.8147.317300000110.3Y328 S329 H340 L354 V358Y328-A356 CarbonylContact C-O 3.53Å; Y328-A356 VanDerWaalsContact CA-O 3.3Å; Y328-A356 WeakPolarHBondContact CA-O 3.4Å; S329-A356 PolarHBondContact N-O 3.13Å; S329-A356 PolarHBondContact O-N 2.84Å; S329-A356 VanDerWaalsContact O-N 3.12Å; H340-A356 PolarHBondContact NE2-O 3.46Å; L354-A356 PolarHBondContact O-N 3.5Å; A356-V358 PolarHBondContact O-N 2.78Å
357S90.8Very high75.9Confident69 Ų6968 Ų6848%0.48341%0.406SS..EExtended strand (participates in β ladder)trans-63.2130.3-179.156.50000110.9V327V327-S357 WeakPolarHBondContact O-CA 3.12Å
358V90Very high78.1Confident5 Ų566.5 Ų66.53%0.0339%0.387CS..PPolyproline II helixtrans-64.9144.2167.7-178.30000108.4W8 P25 V327 S329 G339 A356 C360W8-V358 HydrophobicContact CH2-CG1 4.03Å; W8-V358 HydrophobicContact CH2-CG2 4.39Å; W8-V358 HydrophobicContact CZ2-CG1 3.88Å; W8-V358 HydrophobicContact CZ2-CG2 3.94Å; W8-V358 HydrophobicContact CZ3-CG1 4.47Å; P25-V358 HydrophobicContact CG-CG1 3.65Å; V327-V358 HydrophobicContact CB-CB 4.11Å; V327-V358 HydrophobicContact CB-CG2 4.07Å; V327-V358 HydrophobicContact CG1-CB 4.18Å; V327-V358 HydrophobicContact CG1-CG2 3.64Å; V327-V358 PolarHBondContact O-N 3.29Å; S329-V358 WeakPolarHBondContact OG-CG2 3.48Å; G339-V358 WeakPolarHBondContact O-CG1 3.38Å; A356-V358 PolarHBondContact O-N 2.78Å; V358-C360 PolarHBondContact O-N 3.5Å
359A82.3Confident80.4Confident26 Ų2661.8 Ų61.822%0.21536%0.363CS..PPolyproline II helixtrans-53.6118174.400000108.8L24 G339 A341 P361L24-A359 HydrophobicContact CD2-CB 4.07Å; G339-A359 WeakPolarHBondContact O-CB 3.37Å; G339-A359 PolarHBondContact O-N 2.78Å; A341-A359 HydrophobicContact CB-CB 4.26Å; A359-P361 WeakPolarHBondContact O-CD 3.32Å
360C67.7Low82.5Confident96 Ų9659.7 Ų59.765%0.64935%0.354SS*.PPolyproline II helixtrans-65.6133.9-174.2-77.60000110.1V358V358-C360 PolarHBondContact O-N 3.5Å
361P62.8Low83.9Confident26 Ų2653 Ų5317%0.16932%0.324CS..PPolyproline II helixtrans-61.2172.3159-21.538.7000109.7F6 P25 A359 L381F6-P361 HydrophobicContact CD1-CB 4.13Å; F6-P361 HydrophobicContact CD1-CG 4.07Å; F6-P361 HydrophobicContact CE1-CB 3.79Å; F6-P361 HydrophobicContact CE1-CG 4.25Å; F6-P361 HydrophobicContact CE2-CB 4.34Å; F6-P361 HydrophobicContact CG-CG 4.34Å; F6-P361 HydrophobicContact CZ-CB 3.9Å; P25-P361 HydrophobicContact CB-CG 4.4Å; A359-P361 WeakPolarHBondContact O-CD 3.32Å; P361-L381 HydrophobicContact CB-CD1 3.37Å; P361-L381 HydrophobicContact CG-CD1 3.28Å; P361-L381 HydrophobicContact CG-CG 4.49Å
362P63.7Low84.7Confident87 Ų8749.3 Ų49.357%0.56531%0.307SS*.SBendtrans-46145.2-166.1-2732.9000114.8G364 C365P362-G364 PolarHBondContact O-N 2.9Å; P362-C365 PolarHBondContact O-N 2.9Å; P362-C365 PolarHBondContact O-SG 3.04Å
363D67.6Low85Confident171 Ų17148.2 Ų48.291%0.91430%0.299SS*.THydrogen-bonded Turntrans-45.5131.1-175.5-71.3-29.8000113
364G75.1Confident85.1Confident64 Ų6446.7 Ų46.766%0.6629%0.289SS*.THydrogen-bonded Turntrans95.8-12.8176.900000115.8P362P362-G364 PolarHBondContact O-N 2.9Å
365C84.9Confident85Confident39 Ų3946.3 Ų46.326%0.26429%0.286SS..  trans-68.4142.2176.8-65.20000112P362 L381 C382P362-C365 PolarHBondContact O-N 2.9Å; P362-C365 PolarHBondContact O-SG 3.04Å; C365-L381 HydrophobicContact CB-CB 4.26Å; C365-L381 HydrophobicContact CB-CD1 4.37Å; C365-C382 CarbonylContact C-O 3.55Å; C365-C382 WeakPolarHBondContact CA-O 3.44Å
366R90.9Very high84.8Confident151 Ų15145.8 Ų45.857%0.5728%0.282SS*.  trans-120.7129.6174.8-65-176.2-176.4-174.70.7111.1L381 C382R366-L381 CarbonylContact O-C 3.5Å; R366-L381 VanDerWaalsContact O-CA 3.31Å; R366-L381 WeakPolarHBondContact O-CA 3.36Å; R366-C382 PolarHBondContact N-O 2.7Å; R366-C382 PolarHBondContact O-N 3.4Å
367A94.1Very high84.8Confident9 Ų944.3 Ų44.37%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-70.8135.9173.600000111.2I321 G325 V327 L380 L381I321-A367 HydrophobicContact CD1-CB 3.73Å; I321-A367 HydrophobicContact CG1-CB 4.01Å; I321-A367 HydrophobicContact CG2-CB 3.97Å; G325-A367 WeakPolarHBondContact O-CB 3.42Å; G325-A367 PolarHBondContact O-N 2.83Å; V327-A367 HydrophobicContact CG2-CB 3.34Å; A367-L380 CarbonylContact C-O 3.45Å; A367-L380 VanDerWaalsContact CA-O 3.3Å; A367-L380 WeakPolarHBondContact CA-O 3.35Å; A367-L381 HydrophobicContact CB-CD2 3.73Å
368T93.9Very high85Confident66 Ų6641 Ų4141%0.40525%0.247SC..EExtended strand (participates in β ladder)trans-121.1-26.4-177.150.50000112.9L380 C382T368-L380 PolarHBondContact N-O 3.41Å; T368-L380 PolarHBondContact OG1-O 3.04Å; T368-C382 HydrophobicContact CG2-CB 4.23Å; T368-C382 WeakPolarHBondContact CG2-SG 3.39Å
369D95.2Very high85.2Confident32 Ų3240.9 Ų40.917%0.17125%0.246CC..EExtended strand (participates in β ladder)trans-147.6155.1177.5-159.819000110.9I41 V379 L380I41-D369 HydrophobicContact CG1-CB 4.4Å; D369-V379 VanDerWaalsContact O-CA 3.31Å; D369-V379 WeakPolarHBondContact O-CA 3.44Å; D369-L380 HydrophobicContact CB-CB 4Å; D369-L380 HydrophobicContact CB-CD1 3.94Å; D369-L380 HydrophobicContact CB-CG 4.08Å; D369-L380 PolarHBondContact O-N 3.46Å
370V95.8Very high85.8Confident11 Ų1139.8 Ų39.87%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-147140.5-17958.40000111K310 C312 V319 I321 T377 V378 V379K310-V370 HydrophobicContact CB-CG1 4.17Å; C312-V370 HydrophobicContact CB-CG1 4.28Å; C312-V370 HydrophobicContact CB-CG2 4.45Å; V319-V370 HydrophobicContact CB-CG2 3.73Å; V319-V370 HydrophobicContact CG1-CG2 3.58Å; V319-V370 HydrophobicContact CG2-CG2 4.4Å; I321-V370 HydrophobicContact CD1-CB 3.82Å; I321-V370 HydrophobicContact CD1-CG1 3.8Å; I321-V370 HydrophobicContact CG1-CB 4.28Å; I321-V370 HydrophobicContact CG1-CG1 4.06Å; V370-T377 HydrophobicContact CG2-CG2 4.18Å; V370-V378 WeakPolarHBondContact CA-O 3.1Å; V370-V379 HydrophobicContact CB-CG1 4.11Å; V370-V379 HydrophobicContact CG2-CG1 3.87Å
371S95.4Very high86.9Confident9 Ų935.4 Ų35.46%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-141.1135167.8-164.80000110.1A43 V378A43-S371 PolarHBondContact N-OG 2.99Å; S371-V378 PolarHBondContact N-O 3.38Å; S371-V378 PolarHBondContact O-N 2.88Å; S371-V378 VanDerWaalsContact O-O 3.12Å
372C91.9Very high88.2Confident0 Ų036.4 Ų36.40%021%0.214CC..EExtended strand (participates in β ladder)trans-133.4159.7173620000111.4C312 G314 V319 T377C312-C372 PolarHBondContact O-SG 3.03Å; C312-C372 VanDerWaalsContact O-SG 3.32Å; C312-C372 PolarHBondContact SG-N 3.02Å; C312-C372 VanDerWaalsContact SG-SG 3.65Å; G314-C372 PolarHBondContact N-SG 2.85Å; V319-C372 HydrophobicContact CG2-CB 4.01Å; C372-T377 HydrophobicContact CB-CG2 4.1Å
373S87.5Confident89.4Confident0 Ų033.9 Ų33.90%020%0.196CC..  trans-136.2-145.7178.4-172.10000109.8G44 T45 G314 S315 H317 H376G44-S373 VanDerWaalsContact O-CB 3.24Å; G44-S373 WeakPolarHBondContact O-CB 3.41Å; G44-S373 PolarHBondContact O-OG 3.02Å; T45-S373 PolarHBondContact N-OG 3.3Å; G314-S373 VanDerWaalsContact CA-O 3.28Å; G314-S373 WeakPolarHBondContact CA-O 3.4Å; S315-S373 PolarHBondContact N-O 2.81Å; H317-S373 PolarHBondContact CE1-O 2.87Å; S373-H376 PolarHBondContact N-O 3.25Å; S373-H376 VanDerWaalsContact N-O 3.14Å
374A85.9Confident90.5Very high13 Ų1326.7 Ų26.711%0.10716%0.158CC..SBendtrans-72.7-30.6-177.600000114.2T45 S315T45-A374 HydrophobicContact CG2-CB 4.3Å; S315-A374 VanDerWaalsContact OG-CA 3.29Å; S315-A374 WeakPolarHBondContact OG-CA 3.37Å; S315-A374 VanDerWaalsContact OG-CB 3.24Å; S315-A374 WeakPolarHBondContact OG-CB 3.37Å
375H85.3Confident91.4Very high54 Ų5424.6 Ų24.625%0.2513%0.131CC..SBendtrans-134.1-10.7-161.9-63.7-65.9000115F10 F46 I337F10-H375 WeakPolarHBondContact CA-O 3.17Å; F10-H375 HydrophobicContact CB-CB 4.24Å; F10-H375 PolarHBondContact N-O 3.28Å; F46-H375 HydrophobicContact CD1-CB 3.77Å; F46-H375 AromaticContact CD1-CD2 3.81Å; F46-H375 AromaticContact CD1-CG 3.88Å; F46-H375 AromaticContact CD2-CD2 3.89Å; F46-H375 HydrophobicContact CE1-CB 3.52Å; F46-H375 AromaticContact CE1-CD2 3.27Å; F46-H375 WeakPolarHBondContact CE1-CD2 3.2Å; F46-H375 AromaticContact CE1-CG 3.23Å; F46-H375 AromaticContact CE1-ND1 3.79Å; F46-H375 AromaticContact CE1-NE2 3.87Å; F46-H375 AromaticContact CE2-CD2 3.33Å; F46-H375 WeakPolarHBondContact CE2-CD2 3.17Å; F46-H375 AromaticContact CE2-NE2 3.48Å; F46-H375 WeakPolarHBondContact CE2-NE2 3.4Å; F46-H375 HydrophobicContact CZ-CB 4.21Å; F46-H375 AromaticContact CZ-CD2 3.01Å; F46-H375 WeakPolarHBondContact CZ-CD2 3.48Å; F46-H375 AromaticContact CZ-CE1 3.6Å; F46-H375 AromaticContact CZ-CG 3.41Å; F46-H375 VanDerWaalsContact CZ-CG 3.41Å; F46-H375 AromaticContact CZ-ND1 3.75Å; F46-H375 AromaticContact CZ-NE2 3.17Å; F46-H375 WeakPolarHBondContact CZ-NE2 3.3Å; I337-H375 WeakPolarHBondContact CG2-O 3.29Å
376H88.8Confident91.8Very high2 Ų223.8 Ų23.81%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-153164.6177.473-76.8000110.6W8 G44 F47 T48 S373 V378W8-H376 VanDerWaalsContact O-CA 3.25Å; W8-H376 WeakPolarHBondContact O-CA 3.26Å; W8-H376 WeakPolarHBondContact O-CB 3.25Å; G44-H376 PolarHBondContact O-CE1 3.12Å; F47-H376 PolarHBondContact O-CE1 3.39Å; F47-H376 PolarHBondContact O-NE2 3.31Å; T48-H376 PolarHBondContact OG1-NE2 2.74Å; S373-H376 PolarHBondContact N-O 3.25Å; S373-H376 VanDerWaalsContact N-O 3.14Å; H376-V378 VanDerWaalsContact CD2-CG2 3.47Å; H376-V378 WeakPolarHBondContact CD2-CG2 3.01Å
377T92.2Very high91.8Very high0 Ų015.8 Ų15.80%010%0.095CC..EExtended strand (participates in β ladder)trans-126142.9174.5-57.50000108.6T7 W8 H317 V319 I337 V370 C372 V379T7-T377 CarbonylContact C-O 3.48Å; T7-T377 WeakPolarHBondContact CA-O 3.35Å; T7-T377 PolarHBondContact OG1-O 2.99Å; W8-T377 HydrophobicContact CD2-CG2 4.44Å; W8-T377 VanDerWaalsContact CE2-CB 3.46Å; W8-T377 HydrophobicContact CE3-CG2 4.49Å; W8-T377 HydrophobicContact CH2-CG2 3.33Å; W8-T377 VanDerWaalsContact CZ2-CB 3.47Å; W8-T377 HydrophobicContact CZ2-CG2 3.22Å; W8-T377 HydrophobicContact CZ3-CG2 3.98Å; W8-T377 PolarHBondContact N-O 3.37Å; W8-T377 PolarHBondContact O-N 3.35Å; H317-T377 PolarHBondContact NE2-OG1 2.92Å; V319-T377 HydrophobicContact CB-CG2 4.47Å; V319-T377 HydrophobicContact CG1-CG2 4.31Å; V319-T377 HydrophobicContact CG2-CG2 3.68Å; I337-T377 PolarHBondContact O-OG1 2.72Å; V370-T377 HydrophobicContact CG2-CG2 4.18Å; C372-T377 HydrophobicContact CB-CG2 4.1Å; T377-V379 HydrophobicContact CG2-CG1 4.38Å
378V93.1Very high91.7Very high0 Ų016.3 Ų16.30%010%0.096CC..EExtended strand (participates in β ladder)trans-126.3140.2175.5-169.70000108.4V5 F6 I41 A43 T48 V370 S371 H376V5-V378 HydrophobicContact CG1-CG1 3.52Å; F6-V378 CarbonylContact O-C 3.53Å; F6-V378 VanDerWaalsContact O-CA 3.28Å; F6-V378 WeakPolarHBondContact O-CA 3.36Å; I41-V378 HydrophobicContact CB-CG1 4.21Å; I41-V378 HydrophobicContact CD1-CB 4.03Å; I41-V378 HydrophobicContact CD1-CG1 3.79Å; I41-V378 VanDerWaalsContact CD1-O 3.31Å; I41-V378 WeakPolarHBondContact CD1-O 3.43Å; I41-V378 HydrophobicContact CG2-CG1 4.19Å; A43-V378 HydrophobicContact CB-CG2 4.22Å; T48-V378 HydrophobicContact CG2-CB 4.45Å; T48-V378 HydrophobicContact CG2-CG1 4.04Å; T48-V378 HydrophobicContact CG2-CG2 3.72Å; V370-V378 WeakPolarHBondContact CA-O 3.1Å; S371-V378 PolarHBondContact N-O 3.38Å; S371-V378 PolarHBondContact O-N 2.88Å; S371-V378 VanDerWaalsContact O-O 3.12Å; H376-V378 VanDerWaalsContact CD2-CG2 3.47Å; H376-V378 WeakPolarHBondContact CD2-CG2 3.01Å
379V94.7Very high91.5Very high2 Ų212.7 Ų12.71%0.0127%0.074CC..EExtended strand (participates in β ladder)trans-134.2150.3175.2-62.10000111F6 W8 V327 D369 V370 T377 L381F6-V379 HydrophobicContact CB-CG2 3.79Å; F6-V379 PolarHBondContact N-O 2.86Å; F6-V379 PolarHBondContact O-N 2.9Å; W8-V379 HydrophobicContact CH2-CG1 3.56Å; W8-V379 HydrophobicContact CH2-CG2 4.37Å; W8-V379 HydrophobicContact CZ3-CB 4.36Å; W8-V379 HydrophobicContact CZ3-CG1 3.75Å; W8-V379 HydrophobicContact CZ3-CG2 3.76Å; V327-V379 HydrophobicContact CG1-CG1 4.4Å; V327-V379 HydrophobicContact CG2-CG1 4.46Å; D369-V379 VanDerWaalsContact O-CA 3.31Å; D369-V379 WeakPolarHBondContact O-CA 3.44Å; V370-V379 HydrophobicContact CB-CG1 4.11Å; V370-V379 HydrophobicContact CG2-CG1 3.87Å; T377-V379 HydrophobicContact CG2-CG1 4.38Å; V379-L381 HydrophobicContact CG2-CD2 3.87Å; V379-L381 HydrophobicContact CG2-CG 4.13Å
380L94.3Very high91.2Very high4 Ų411.2 Ų11.22%0.0217%0.067CC..EExtended strand (participates in β ladder)trans-98.1132.1165.1-67.6-174.5000109.7V3 M4 V5 P38 I41 A367 T368 D369V3-L380 HydrophobicContact CG1-CB 4.29Å; V3-L380 HydrophobicContact CG1-CD2 4.34Å; M4-L380 WeakPolarHBondContact O-CA 3.44Å; V5-L380 HydrophobicContact CB-CD2 4.43Å; V5-L380 HydrophobicContact CG2-CD2 3.74Å; P38-L380 HydrophobicContact CB-CD2 3.61Å; I41-L380 HydrophobicContact CD1-CG 3.99Å; I41-L380 HydrophobicContact CG1-CD1 4.46Å; I41-L380 HydrophobicContact CG1-CG 4.02Å; I41-L380 HydrophobicContact CG2-CD1 4.2Å; I41-L380 HydrophobicContact CG2-CD2 3.47Å; I41-L380 VanDerWaalsContact CG2-CD2 3.47Å; I41-L380 HydrophobicContact CG2-CG 3.74Å; A367-L380 CarbonylContact C-O 3.45Å; A367-L380 VanDerWaalsContact CA-O 3.3Å; A367-L380 WeakPolarHBondContact CA-O 3.35Å; T368-L380 PolarHBondContact N-O 3.41Å; T368-L380 PolarHBondContact OG1-O 3.04Å; D369-L380 HydrophobicContact CB-CB 4Å; D369-L380 HydrophobicContact CB-CD1 3.94Å; D369-L380 HydrophobicContact CB-CG 4.08Å; D369-L380 PolarHBondContact O-N 3.46Å
381L92.1Very high90.8Very high4 Ų411.3 Ų11.32%0.0217%0.067CC..EExtended strand (participates in β ladder)trans-121.4139.6177.1-51.7174.6000110.2V3 M4 F6 P361 C365 R366 A367 V379V3-L381 CarbonylContact C-O 3.55Å; V3-L381 VanDerWaalsContact CA-O 3.28Å; V3-L381 WeakPolarHBondContact CA-O 3.47Å; M4-L381 PolarHBondContact N-O 3.07Å; M4-L381 PolarHBondContact O-N 3.18Å; F6-L381 HydrophobicContact CB-CD1 4.29Å; F6-L381 HydrophobicContact CD1-CD1 4.47Å; F6-L381 HydrophobicContact CD2-CD1 3.25Å; F6-L381 HydrophobicContact CD2-CG 4.03Å; F6-L381 HydrophobicContact CE2-CD1 3.54Å; F6-L381 HydrophobicContact CG-CD1 3.77Å; F6-L381 HydrophobicContact CZ-CD1 4.27Å; P361-L381 HydrophobicContact CB-CD1 3.37Å; P361-L381 HydrophobicContact CG-CD1 3.28Å; P361-L381 HydrophobicContact CG-CG 4.49Å; C365-L381 HydrophobicContact CB-CB 4.26Å; C365-L381 HydrophobicContact CB-CD1 4.37Å; R366-L381 CarbonylContact O-C 3.5Å; R366-L381 VanDerWaalsContact O-CA 3.31Å; R366-L381 WeakPolarHBondContact O-CA 3.36Å; A367-L381 HydrophobicContact CB-CD2 3.73Å; V379-L381 HydrophobicContact CG2-CD2 3.87Å; V379-L381 HydrophobicContact CG2-CG 4.13Å
382C88.8Confident90.4Very high47 Ų4711.5 Ų11.532%0.3187%0.067SC..  trans-1180173.568.30000113M1 V3 C365 R366 T368M1-C382 WeakPolarHBondContact CB-OXT 3.44Å; V3-C382 HydrophobicContact CG2-CB 4.26Å; C365-C382 CarbonylContact C-O 3.55Å; C365-C382 WeakPolarHBondContact CA-O 3.44Å; R366-C382 PolarHBondContact N-O 2.7Å; R366-C382 PolarHBondContact O-N 3.4Å; T368-C382 HydrophobicContact CG2-CB 4.23Å; T368-C382 WeakPolarHBondContact CG2-SG 3.39Å

Retrieved 382 of 382 residues in 181.8 ms (Link to these results)

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