A0A077YXM7_TRITR Loading...

EFF-AFF domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 540 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
1M72.6Confident84.3Confident109 Ų10957.8 Ų57.854%0.53731%0.314SS..  0153.30-175.8-178.8-81.300109.2F336 T340 F342M1-F336 PolarHBondContact N-O 3.49Å; M1-F336 PolarHBondContact O-N 2.88Å; M1-T340 WeakPolarHBondContact CE-O 3.37Å; M1-F342 HydrophobicContact SD-CB 3.76Å
2A81.1Confident84.7Confident63 Ų6357.3 Ų57.352%0.52131%0.313SS..EExtended strand (participates in β ladder)trans-126.1130.3174.100000110.5T333 I334 N335A2-T333 HydrophobicContact CB-CG2 4.16Å; A2-I334 CarbonylContact C-O 3.58Å; A2-I334 WeakPolarHBondContact CA-O 3.35Å; A2-N335 VanDerWaalsContact CB-OD1 3.27Å; A2-N335 WeakPolarHBondContact CB-OD1 3.5Å
3A84.6Confident85Confident9 Ų953.2 Ų53.27%0.07429%0.293CS..EExtended strand (participates in β ladder)trans-114136.1175.500000110.1T333 I334 F336 F342A3-T333 CarbonylContact O-C 3.6Å; A3-T333 WeakPolarHBondContact O-CA 2.92Å; A3-I334 PolarHBondContact N-O 3.06Å; A3-I334 PolarHBondContact O-N 2.78Å; A3-F336 HydrophobicContact CB-CE2 4.23Å; A3-F342 HydrophobicContact CB-CD1 3.65Å; A3-F342 HydrophobicContact CB-CD2 4.03Å; A3-F342 HydrophobicContact CB-CE1 3.44Å; A3-F342 VanDerWaalsContact CB-CE1 3.44Å; A3-F342 HydrophobicContact CB-CE2 3.8Å; A3-F342 HydrophobicContact CB-CG 3.94Å; A3-F342 HydrophobicContact CB-CZ 3.52Å
4Q87Confident85.3Confident158 Ų15850.5 Ų50.574%0.73828%0.279SS*.EExtended strand (participates in β ladder)trans-103.3129.2175.3-69.2-175.4-15.700109.9L332 T333Q4-L332 WeakPolarHBondContact CA-O 3.33Å; Q4-T333 HydrophobicContact CG-CG2 4.44Å
5V87.5Confident85.5Confident16 Ų1647.1 Ų47.110%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-133.1138.1177-172.70000108.6L7 A13 L332 I334 F342 L344V5-L7 HydrophobicContact CG1-CD2 4.27Å; V5-L7 HydrophobicContact CG1-CG 4.29Å; V5-A13 HydrophobicContact CG1-CB 3.75Å; V5-L332 PolarHBondContact N-O 2.94Å; V5-L332 PolarHBondContact O-N 3.22Å; V5-I334 HydrophobicContact CG2-CD1 4.21Å; V5-F342 HydrophobicContact CG2-CZ 4.48Å; V5-L344 HydrophobicContact CG2-CD1 4.04Å
6Q86.5Confident85.4Confident120 Ų12046.4 Ų46.456%0.56125%0.254SS*.EExtended strand (participates in β ladder)trans-106.6128.2171.9-177.3171.7-28.700108.7I330 Q331Q6-I330 WeakPolarHBondContact CA-O 3.29Å; Q6-Q331 HydrophobicContact CB-CG 4.35Å; Q6-Q331 HydrophobicContact CG-CG 4.3Å
7L86.2Confident85Confident5 Ų545.3 Ų45.33%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-120.8125.1179.2-68.9174.6000111.2V5 E11 A13 I45 G329 I330 L332V5-L7 HydrophobicContact CG1-CD2 4.27Å; V5-L7 HydrophobicContact CG1-CG 4.29Å; L7-E11 HydrophobicContact CD2-CB 4Å; L7-A13 HydrophobicContact CD1-CB 4Å; L7-A13 HydrophobicContact CD2-CB 3.65Å; L7-A13 HydrophobicContact CG-CB 4.2Å; L7-I45 HydrophobicContact CD1-CG2 4.14Å; L7-G329 CarbonylContact O-C 3.56Å; L7-G329 VanDerWaalsContact O-CA 3.27Å; L7-G329 WeakPolarHBondContact O-CA 3.41Å; L7-I330 PolarHBondContact N-O 3.4Å; L7-I330 PolarHBondContact O-N 3Å; L7-L332 HydrophobicContact CD1-CD1 3.68Å
8G85.2Confident84.2Confident17 Ų1749.3 Ų49.318%0.17527%0.265CS..  trans-74164.3162.100000112.1D10 E11 Y47G8-D10 PolarHBondContact O-N 2.89Å; G8-E11 PolarHBondContact N-OE2 3.2Å; G8-E11 VanDerWaalsContact O-CB 3.3Å; G8-E11 WeakPolarHBondContact O-CB 3.39Å; G8-E11 PolarHBondContact O-N 3.1Å; G8-Y47 VanDerWaalsContact C-CD1 3.46Å; G8-Y47 VanDerWaalsContact O-CD1 3.28Å; G8-Y47 WeakPolarHBondContact O-CD1 3.45Å
9L85.3Confident83.3Confident24 Ų2451.2 Ų51.213%0.12628%0.279CS..THydrogen-bonded Turntrans-58.3139.2173.4-173.762.5000109.9E11 Y47 A50 N325L9-E11 PolarHBondContact O-N 3.39Å; L9-Y47 HydrophobicContact CB-CD1 4.42Å; L9-Y47 HydrophobicContact CB-CE1 4.27Å; L9-Y47 HydrophobicContact CD1-CD1 4.46Å; L9-Y47 HydrophobicContact CD1-CD2 4.16Å; L9-Y47 HydrophobicContact CD1-CE1 4.28Å; L9-Y47 HydrophobicContact CD1-CE2 3.98Å; L9-Y47 HydrophobicContact CD1-CG 4.38Å; L9-A50 HydrophobicContact CD1-CB 4.14Å; L9-A50 HydrophobicContact CD2-CB 4.48Å; L9-N325 WeakPolarHBondContact CD2-O 3.14Å
10D85.6Confident82Confident83 Ų8352.8 Ų52.844%0.44429%0.287SS..THydrogen-bonded Turntrans65.3-0.7-172.7-59.9-42.4000115.6G8 H46 Y47 Y399G8-D10 PolarHBondContact O-N 2.89Å; D10-H46 PolarHBondContact O-CE1 2.94Å; D10-H46 VanDerWaalsContact O-CE1 3.24Å; D10-Y47 WeakPolarHBondContact CA-O 3.2Å; D10-Y47 PolarHBondContact N-O 2.7Å; D10-Y399 HydrophobicContact CB-CD1 4.22Å; D10-Y399 HydrophobicContact CB-CE1 4.36Å; D10-Y399 WeakPolarHBondContact O-CE1 3.42Å
11E86.3Confident80.7Confident32 Ų3257.9 Ų57.915%0.1531%0.309CS..  trans-76.7155.6174.8-67.3-170153.700112.1L7 G8 L9 H46 Y47 T378 Y399L7-E11 HydrophobicContact CD2-CB 4Å; G8-E11 PolarHBondContact N-OE2 3.2Å; G8-E11 VanDerWaalsContact O-CB 3.3Å; G8-E11 WeakPolarHBondContact O-CB 3.39Å; G8-E11 PolarHBondContact O-N 3.1Å; L9-E11 PolarHBondContact O-N 3.39Å; E11-H46 WeakPolarHBondContact O-CA 3.42Å; E11-H46 PolarHBondContact O-ND1 3.02Å; E11-H46 VanDerWaalsContact O-ND1 3.16Å; E11-Y47 PolarHBondContact O-N 3.45Å; E11-T378 PolarHBondContact OE1-OG1 2.9Å; E11-Y399 HydrophobicContact CG-CD1 3.82Å; E11-Y399 HydrophobicContact CG-CD2 3.72Å; E11-Y399 HydrophobicContact CG-CE1 4.42Å; E11-Y399 HydrophobicContact CG-CE2 4.33Å; E11-Y399 HydrophobicContact CG-CG 3.43Å; E11-Y399 VanDerWaalsContact CG-CG 3.43Å; E11-Y399 WeakPolarHBondContact OE1-CB 3.44Å
12T88.2Confident79.5Confident51 Ų5156.9 Ų56.931%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-129.4126.2177.2-52.30000110.1A44 I45 H46T12-A44 HydrophobicContact CG2-CB 3.91Å; T12-I45 CarbonylContact C-O 3.59Å; T12-I45 WeakPolarHBondContact CA-O 3.08Å; T12-H46 HydrophobicContact CG2-CB 4.19Å; T12-H46 PolarHBondContact OG1-ND1 3.31Å
13A88.6Confident77.9Confident5 Ų560.1 Ų60.14%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-92.7117.5171.200000109V5 L7 A44 I45 L344V5-A13 HydrophobicContact CG1-CB 3.75Å; L7-A13 HydrophobicContact CD1-CB 4Å; L7-A13 HydrophobicContact CD2-CB 3.65Å; L7-A13 HydrophobicContact CG-CB 4.2Å; A13-A44 CarbonylContact O-C 3.6Å; A13-A44 VanDerWaalsContact O-CA 3.23Å; A13-A44 WeakPolarHBondContact O-CA 3.49Å; A13-I45 PolarHBondContact N-O 3.2Å; A13-I45 PolarHBondContact O-N 2.92Å; A13-L344 HydrophobicContact CB-CD1 4.45Å
14C89.4Confident76.1Confident15 Ų1563.4 Ų63.410%0.10134%0.338CS..EExtended strand (participates in β ladder)trans-108134.1176.8-60.40000109.9M42 H43 L344 Y345C14-M42 HydrophobicContact CB-CG 4.5Å; C14-M42 HydrophobicContact CB-SD 4.11Å; C14-H43 CarbonylContact C-O 3.6Å; C14-H43 VanDerWaalsContact CA-O 3.32Å; C14-H43 WeakPolarHBondContact CA-O 3.45Å; C14-L344 WeakPolarHBondContact O-CD1 3.08Å; C14-Y345 PolarHBondContact O-N 3.36Å
15F87.9Confident73.9Confident0 Ų060.7 Ų60.70%033%0.334CS..EExtended strand (participates in β ladder)trans-150.8151.7-179.455.2-87.8000112.5V17 H43 I45 I184 I334 F336 F342 T343 L344F15-V17 HydrophobicContact CD2-CG2 3.77Å; F15-V17 HydrophobicContact CE2-CG2 3.9Å; F15-H43 HydrophobicContact CD1-CB 4.38Å; F15-H43 HydrophobicContact CD2-CB 3.75Å; F15-H43 HydrophobicContact CE1-CB 4.03Å; F15-H43 HydrophobicContact CE2-CB 3.35Å; F15-H43 AromaticContact CE2-CG 3.81Å; F15-H43 HydrophobicContact CG-CB 4.25Å; F15-H43 HydrophobicContact CZ-CB 3.51Å; F15-H43 PolarHBondContact N-O 2.78Å; F15-H43 PolarHBondContact O-N 2.89Å; F15-I45 HydrophobicContact CE1-CD1 3.98Å; F15-I45 HydrophobicContact CE1-CG1 4.13Å; F15-I45 HydrophobicContact CZ-CD1 4.2Å; F15-I184 HydrophobicContact CE2-CD1 4.31Å; F15-I334 HydrophobicContact CD1-CD1 4.31Å; F15-I334 HydrophobicContact CE1-CD1 3.7Å; F15-I334 HydrophobicContact CZ-CD1 3.96Å; F15-I334 HydrophobicContact CZ-CG2 4.37Å; F15-F336 HydrophobicContact CD2-CE1 4.45Å; F15-F336 HydrophobicContact CD2-CZ 4.17Å; F15-F336 AromaticContact CE2-CE1 3.86Å; F15-F336 HydrophobicContact CE2-CE1 3.86Å; F15-F336 AromaticContact CE2-CZ 3.84Å; F15-F336 HydrophobicContact CE2-CZ 3.84Å; F15-F342 HydrophobicContact CB-CD2 4.11Å; F15-F342 HydrophobicContact CB-CE2 3.37Å; F15-F342 HydrophobicContact CB-CZ 3.74Å; F15-F342 HydrophobicContact CD1-CE2 4.13Å; F15-F342 AromaticContact CD2-CD2 3.97Å; F15-F342 HydrophobicContact CD2-CD2 3.97Å; F15-F342 AromaticContact CD2-CE2 3.49Å; F15-F342 HydrophobicContact CD2-CE2 3.49Å; F15-F342 VanDerWaalsContact CD2-CE2 3.49Å; F15-F342 HydrophobicContact CE2-CE2 4.27Å; F15-F342 HydrophobicContact CG-CD2 4.25Å; F15-F342 AromaticContact CG-CE2 3.4Å; F15-F342 HydrophobicContact CG-CE2 3.4Å; F15-F342 VanDerWaalsContact CG-CE2 3.4Å; F15-F342 HydrophobicContact CG-CZ 4.07Å; F15-T343 CarbonylContact C-O 3.55Å; F15-T343 WeakPolarHBondContact CA-O 3.33Å; F15-T343 WeakPolarHBondContact CB-O 3.45Å; F15-L344 HydrophobicContact CB-CD1 4.34Å
16F84.9Confident71.8Confident36 Ų3665.8 Ų65.816%0.15837%0.365CS..EExtended strand (participates in β ladder)trans-103.4148.8167.4-68.3-95.5000109.8I41 M42 W159 T343 Y345F16-I41 WeakPolarHBondContact CD1-O 3.36Å; F16-M42 HydrophobicContact CD1-CB 4.31Å; F16-M42 HydrophobicContact CE1-CB 3.74Å; F16-M42 HydrophobicContact CE2-CB 4.33Å; F16-M42 HydrophobicContact CE2-CE 3.52Å; F16-M42 HydrophobicContact CE2-CG 4.35Å; F16-M42 HydrophobicContact CZ-CB 3.81Å; F16-M42 HydrophobicContact CZ-CE 3.49Å; F16-M42 VanDerWaalsContact CZ-CE 3.49Å; F16-M42 HydrophobicContact CZ-CG 4.28Å; F16-W159 HydrophobicContact CE1-CH2 4.2Å; F16-W159 AromaticContact CZ-CH2 3.81Å; F16-W159 HydrophobicContact CZ-CH2 3.81Å; F16-T343 PolarHBondContact N-O 3.14Å; F16-T343 PolarHBondContact O-N 2.7Å; F16-Y345 AromaticContact CD2-CD2 3.55Å; F16-Y345 HydrophobicContact CD2-CD2 3.55Å; F16-Y345 AromaticContact CD2-CE2 3.19Å; F16-Y345 HydrophobicContact CD2-CE2 3.19Å; F16-Y345 AromaticContact CD2-CZ 3.92Å; F16-Y345 AromaticContact CE2-CD2 3.84Å; F16-Y345 HydrophobicContact CE2-CD2 3.84Å; F16-Y345 AromaticContact CE2-CE2 3.6Å; F16-Y345 HydrophobicContact CE2-CE2 3.6Å; F16-Y345 HydrophobicContact CE2-CG 4.43Å; F16-Y345 AromaticContact CE2-CZ 3.95Å; F16-Y345 HydrophobicContact CG-CE2 4.31Å
17V77.4Confident69.7Low27 Ų2763.5 Ų63.516%0.16436%0.361CS..EExtended strand (participates in β ladder)trans-123.3119.7177.2-179.60000107.3F15 F336 T339F15-V17 HydrophobicContact CD2-CG2 3.77Å; F15-V17 HydrophobicContact CE2-CG2 3.9Å; V17-F336 HydrophobicContact CG1-CD1 4.16Å; V17-F336 HydrophobicContact CG1-CE1 4.41Å; V17-F336 HydrophobicContact CG2-CD1 3.97Å; V17-F336 HydrophobicContact CG2-CE1 3.39Å; V17-F336 HydrophobicContact CG2-CZ 3.95Å; V17-T339 HydrophobicContact CG1-CG2 3.14Å
18E71.8Confident67.6Low117 Ų11770 Ų7055%0.54740%0.396SS..EExtended strand (participates in β ladder)trans-91126.9170.1-67.7177.1170.400108.9T339 T340 S341E18-T339 WeakPolarHBondContact O-CA 3.26Å; E18-T340 WeakPolarHBondContact CB-OG1 3.44Å; E18-T340 PolarHBondContact O-N 3.28Å; E18-T340 PolarHBondContact O-OG1 3.13Å; E18-S341 WeakPolarHBondContact CB-OG 3.47Å; E18-S341 WeakPolarHBondContact CG-OG 3.4Å; E18-S341 PolarHBondContact N-O 3.12Å; E18-S341 WeakPolarHBondContact OE2-CB 3.03Å; E18-S341 PolarHBondContact OE2-OG 2.8Å
19V65.9Low65.6Low86 Ų8676.4 Ų76.452%0.52143%0.426SS..PPolyproline II helixtrans-100.5139.3176.6-176.90000107.5E21V19-E21 PolarHBondContact O-N 3.14Å
20D58.2Low63.7Low83 Ų8380.5 Ų80.544%0.44445%0.448SS..PPolyproline II helixtrans-61.7124179.6-156.7-24.7000110.1A22 E23 T340D20-A22 PolarHBondContact O-N 3.41Å; D20-A22 VanDerWaalsContact O-N 3.14Å; D20-A22 PolarHBondContact OD1-N 3.4Å; D20-E23 PolarHBondContact O-N 3.31Å; D20-T340 HydrophobicContact CB-CG2 3.61Å
21E54.4Low61.8Low160 Ų16080.8 Ų80.875%0.74846%0.457SS*.G310 helixtrans-63.4-19.9-179.3-71.3-172.4164.600112.1V19 E23 L24V19-E21 PolarHBondContact O-N 3.14Å; E21-E23 PolarHBondContact O-N 3.42Å; E21-L24 HydrophobicContact CB-CD1 4.16Å; E21-L24 HydrophobicContact CG-CD1 4.13Å; E21-L24 PolarHBondContact O-N 3.29Å
22A48.5Very low60.1Low87 Ų8782.8 Ų82.872%0.71947%0.474SS*.G310 helixtrans-66.7-14.8-17800000114.6D20D20-A22 PolarHBondContact O-N 3.41Å; D20-A22 VanDerWaalsContact O-N 3.14Å; D20-A22 PolarHBondContact OD1-N 3.4Å
23E47.1Very low58Low132 Ų13283.3 Ų83.362%0.61748%0.477SS*.G310 helixtrans-114.35.8179.2-66.2-171.7160.300113.7D20 E21 P25D20-E23 PolarHBondContact O-N 3.31Å; E21-E23 PolarHBondContact O-N 3.42Å; E23-P25 WeakPolarHBondContact O-CD 3.46Å
24L46.4Very low55.6Low77 Ų7789.3 Ų89.340%0.40350%0.499SS..SBendtrans-62121.7170.8-80.8158.1000109.1E21 T26 Y37E21-L24 HydrophobicContact CB-CD1 4.16Å; E21-L24 HydrophobicContact CG-CD1 4.13Å; E21-L24 PolarHBondContact O-N 3.29Å; L24-T26 PolarHBondContact O-N 3Å; L24-T26 VanDerWaalsContact O-N 3.1Å; L24-Y37 HydrophobicContact CD2-CD1 3.93Å; L24-Y37 HydrophobicContact CD2-CE1 4.14Å; L24-Y37 HydrophobicContact CD2-CG 4.22Å
25P40.7Very low53.6Low102 Ų10293.8 Ų93.866%0.66252%0.522SS*.  trans-57.4124.9176.921-29.6000108.3E23 P27E23-P25 WeakPolarHBondContact O-CD 3.46Å; P25-P27 VanDerWaalsContact O-N 3.14Å
26T43.1Very low51.8Low123 Ų12397.6 Ų97.676%0.75554%0.541SS*.  trans-44.7125177.344.20000108.9L24 N28L24-T26 PolarHBondContact O-N 3Å; L24-T26 VanDerWaalsContact O-N 3.1Å; T26-N28 PolarHBondContact O-N 3.2Å
27P41.9Very low50Low71 Ų71103 Ų10346%0.46156%0.561SS.*  trans-65103.5-164.823.2-33.5000110.1P25 R34P25-P27 VanDerWaalsContact O-N 3.14Å; P27-R34 HydrophobicContact CB-CG 4.39Å
28N42.6Very low48.7Very low142 Ų142108.5 Ų108.576%0.75959%0.59SS**  trans-64.3142.7156.3-79-22.3000107.5T26 D30T26-N28 PolarHBondContact O-N 3.2Å; N28-D30 PolarHBondContact O-N 2.61Å
29N44.1Very low48.1Very low151 Ų151104.4 Ų104.481%0.80757%0.573SS**SBendtrans-59.122.7-164.6-94.4-18.1000117.9S31N29-S31 PolarHBondContact O-N 2.99Å; N29-S31 VanDerWaalsContact O-N 3.12Å
30D44.2Very low48.4Very low110 Ų110104.4 Ų104.459%0.58857%0.573SS**  trans-77.297.7168.8-95.2-20.2000110N28 S32 T33N28-D30 PolarHBondContact O-N 2.61Å; D30-S32 PolarHBondContact O-N 3.23Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-T33 WeakPolarHBondContact CB-OG1 3.44Å; D30-T33 PolarHBondContact O-N 2.92Å; D30-T33 VanDerWaalsContact O-N 3.14Å; D30-T33 PolarHBondContact O-OG1 2.9Å
31S47.1Very low49.5Very low90 Ų90102.4 Ų102.463%0.62956%0.562SS**Hα-helixtrans-55.7-23.4174.356.40000113N29N29-S31 PolarHBondContact O-N 2.99Å; N29-S31 VanDerWaalsContact O-N 3.12Å
32S49.8Very low51Low73 Ų7396.1 Ų96.151%0.5153%0.533SS..Hα-helixtrans-71.5-33.4177.757.50000113.4D30D30-S32 PolarHBondContact O-N 3.23Å; D30-S32 VanDerWaalsContact O-N 3.13Å
33T44.3Very low52.9Low62 Ų6292.6 Ų92.638%0.3850%0.502SS..Hα-helixtrans-77.6-33.3177.526.20000112.6D30 D35 I36 Y37D30-T33 WeakPolarHBondContact CB-OG1 3.44Å; D30-T33 PolarHBondContact O-N 2.92Å; D30-T33 VanDerWaalsContact O-N 3.14Å; D30-T33 PolarHBondContact O-OG1 2.9Å; T33-D35 VanDerWaalsContact C-N 3.33Å; T33-D35 PolarHBondContact O-N 3.35Å; T33-I36 PolarHBondContact O-N 3.31Å; T33-Y37 WeakPolarHBondContact O-CD2 3.36Å
34R39Very low55Low131 Ų13186.5 Ų86.549%0.49447%0.474SS..Hα-helixtrans-64.1-34.6178.7-91.8-175.7174.7163.50.4113.5P27 I36 N38P27-R34 HydrophobicContact CB-CG 4.39Å; R34-I36 VanDerWaalsContact C-N 3.27Å; R34-I36 PolarHBondContact O-N 2.71Å; R34-N38 PolarHBondContact O-N 2.96Å
35D46.3Very low57.1Low110 Ų11082.8 Ų82.859%0.58845%0.454SS*.Hα-helixtrans-71.6-23.2-179.8-75.7-17.5000112.9T33 T39T33-D35 VanDerWaalsContact C-N 3.33Å; T33-D35 PolarHBondContact O-N 3.35Å; D35-T39 WeakPolarHBondContact O-CG2 3.27Å
36I49.6Very low59.6Low79 Ų7979.6 Ų79.641%0.40543%0.43SS..Hα-helixtrans-74.6-42.1179.3-63.2170.7000110.3T33 R34 T39T33-I36 PolarHBondContact O-N 3.31Å; R34-I36 VanDerWaalsContact C-N 3.27Å; R34-I36 PolarHBondContact O-N 2.71Å; I36-T39 PolarHBondContact O-N 3.11Å; I36-T39 PolarHBondContact O-OG1 3.27Å
37Y48.5Very low61.9Low150 Ų15073.8 Ų73.859%0.58840%0.395SS*.Hα-helixtrans-76.9-19.4-179.7-64.2-71.8000114.1L24 T33 T39L24-Y37 HydrophobicContact CD2-CD1 3.93Å; L24-Y37 HydrophobicContact CD2-CE1 4.14Å; L24-Y37 HydrophobicContact CD2-CG 4.22Å; T33-Y37 WeakPolarHBondContact O-CD2 3.36Å; Y37-T39 PolarHBondContact O-N 3.01Å
38N49.4Very low64.2Low142 Ų14271.6 Ų71.676%0.75938%0.378SS*.THydrogen-bonded Turntrans-79.7-0.8172.4-89.3-8.7000113.8R34R34-N38 PolarHBondContact O-N 2.96Å
39T58.3Low66.6Low32 Ų3268.4 Ų68.420%0.19636%0.358CS..SBendtrans-108.4138.6178.463.30000111.3D35 I36 Y37 I41 S153D35-T39 WeakPolarHBondContact O-CG2 3.27Å; I36-T39 PolarHBondContact O-N 3.11Å; I36-T39 PolarHBondContact O-OG1 3.27Å; Y37-T39 PolarHBondContact O-N 3.01Å; T39-I41 PolarHBondContact O-N 3Å; T39-S153 VanDerWaalsContact CB-OG 3.26Å; T39-S153 WeakPolarHBondContact CB-OG 3.35Å; T39-S153 PolarHBondContact OG1-OG 3.17Å
40T72.2Confident68.9Low85 Ų8561.3 Ų61.352%0.52132%0.32SS..PPolyproline II helixtrans-67.8116.6174.346.80000109.7
41I81.7Confident71.3Confident42 Ų4256.6 Ų56.622%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-92.2117.4179.7-61174.5000108.9F16 T39 M151 L152F16-I41 WeakPolarHBondContact CD1-O 3.36Å; T39-I41 PolarHBondContact O-N 3Å; I41-M151 HydrophobicContact CG2-CE 3.8Å; I41-L152 WeakPolarHBondContact CA-O 3.3Å
42M87Confident73.6Confident27 Ų2752.3 Ų52.313%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-95.9133171179.8-174.2-68.600109.5C14 F16 L152 W159C14-M42 HydrophobicContact CB-CG 4.5Å; C14-M42 HydrophobicContact CB-SD 4.11Å; F16-M42 HydrophobicContact CD1-CB 4.31Å; F16-M42 HydrophobicContact CE1-CB 3.74Å; F16-M42 HydrophobicContact CE2-CB 4.33Å; F16-M42 HydrophobicContact CE2-CE 3.52Å; F16-M42 HydrophobicContact CE2-CG 4.35Å; F16-M42 HydrophobicContact CZ-CB 3.81Å; F16-M42 HydrophobicContact CZ-CE 3.49Å; F16-M42 VanDerWaalsContact CZ-CE 3.49Å; F16-M42 HydrophobicContact CZ-CG 4.28Å; M42-L152 HydrophobicContact CB-CB 4.21Å; M42-L152 HydrophobicContact CG-CD1 4.49Å; M42-L152 PolarHBondContact N-O 3.11Å; M42-L152 PolarHBondContact O-N 3.26Å; M42-L152 HydrophobicContact SD-CD1 4.18Å; M42-W159 HydrophobicContact CB-CH2 4.1Å; M42-W159 HydrophobicContact CB-CZ3 3.81Å; M42-W159 HydrophobicContact CE-CH2 3.69Å; M42-W159 HydrophobicContact CE-CZ2 3.72Å; M42-W159 HydrophobicContact CE-CZ3 4.34Å
43H88.5Confident75.7Confident14 Ų1450.2 Ų50.27%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-100.2141.4170.8-59.5-81.5000109.5C14 F15 Y149 Y150C14-H43 CarbonylContact C-O 3.6Å; C14-H43 VanDerWaalsContact CA-O 3.32Å; C14-H43 WeakPolarHBondContact CA-O 3.45Å; F15-H43 HydrophobicContact CD1-CB 4.38Å; F15-H43 HydrophobicContact CD2-CB 3.75Å; F15-H43 HydrophobicContact CE1-CB 4.03Å; F15-H43 HydrophobicContact CE2-CB 3.35Å; F15-H43 AromaticContact CE2-CG 3.81Å; F15-H43 HydrophobicContact CG-CB 4.25Å; F15-H43 HydrophobicContact CZ-CB 3.51Å; F15-H43 PolarHBondContact N-O 2.78Å; F15-H43 PolarHBondContact O-N 2.89Å; H43-Y149 HydrophobicContact CB-CE2 4.18Å; H43-Y149 PolarHBondContact CE1-OH 2.87Å; H43-Y149 AromaticContact ND1-CE2 3.95Å; H43-Y149 AromaticContact ND1-CZ 3.7Å; H43-Y149 PolarHBondContact ND1-OH 2.94Å; H43-Y150 WeakPolarHBondContact CA-O 3.43Å
44A90.3Very high78.2Confident3 Ų347.3 Ų47.33%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-134.6133174.300000111.2T12 A13 Y149 Y150 L152T12-A44 HydrophobicContact CG2-CB 3.91Å; A13-A44 CarbonylContact O-C 3.6Å; A13-A44 VanDerWaalsContact O-CA 3.23Å; A13-A44 WeakPolarHBondContact O-CA 3.49Å; A44-Y149 CarbonylContact O-C 3.56Å; A44-Y149 WeakPolarHBondContact O-CA 3.44Å; A44-Y150 HydrophobicContact CB-CD2 4.32Å; A44-Y150 PolarHBondContact N-O 3.27Å; A44-Y150 PolarHBondContact O-N 2.94Å; A44-L152 HydrophobicContact CB-CD1 4.32Å
45I91.5Very high80.9Confident0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-116.3115.6171.7-61.1171.2000107.7L7 T12 A13 F15 F147 Y149 F167 V186 L332 I334L7-I45 HydrophobicContact CD1-CG2 4.14Å; T12-I45 CarbonylContact C-O 3.59Å; T12-I45 WeakPolarHBondContact CA-O 3.08Å; A13-I45 PolarHBondContact N-O 3.2Å; A13-I45 PolarHBondContact O-N 2.92Å; F15-I45 HydrophobicContact CE1-CD1 3.98Å; F15-I45 HydrophobicContact CE1-CG1 4.13Å; F15-I45 HydrophobicContact CZ-CD1 4.2Å; I45-F147 HydrophobicContact CG2-CB 4.49Å; I45-F147 HydrophobicContact CG2-CD1 4.1Å; I45-Y149 HydrophobicContact CG1-CD2 3.96Å; I45-F167 HydrophobicContact CG2-CZ 4.4Å; I45-V186 HydrophobicContact CD1-CG2 4Å; I45-L332 HydrophobicContact CG2-CD1 3.95Å; I45-I334 HydrophobicContact CD1-CD1 3.83Å; I45-I334 HydrophobicContact CD1-CG1 4.37Å
46H91.4Very high83.2Confident34 Ų3438.4 Ų38.416%0.15719%0.194CC..EExtended strand (participates in β ladder)trans-104.2127.8179.217755.9000110.4D10 E11 T12 E48 F147 R148 Y150D10-H46 PolarHBondContact O-CE1 2.94Å; D10-H46 VanDerWaalsContact O-CE1 3.24Å; E11-H46 WeakPolarHBondContact O-CA 3.42Å; E11-H46 PolarHBondContact O-ND1 3.02Å; E11-H46 VanDerWaalsContact O-ND1 3.16Å; T12-H46 HydrophobicContact CG2-CB 4.19Å; T12-H46 PolarHBondContact OG1-ND1 3.31Å; H46-E48 PolarHBondContact O-N 2.88Å; H46-F147 CarbonylContact O-C 3.5Å; H46-F147 WeakPolarHBondContact O-CA 3.46Å; H46-R148 HydrophobicContact CB-CB 4.45Å; H46-R148 PolarHBondContact N-O 2.86Å; H46-R148 PolarHBondContact O-N 2.94Å; H46-Y150 HydrophobicContact CB-CE2 4.03Å
47Y91.6Very high85.3Confident2 Ų241.4 Ų41.41%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-84.591.1172.2-176.6-168.4000109.6G8 L9 D10 E11 K49 A50 A145 F147 S327 I330G8-Y47 VanDerWaalsContact C-CD1 3.46Å; G8-Y47 VanDerWaalsContact O-CD1 3.28Å; G8-Y47 WeakPolarHBondContact O-CD1 3.45Å; L9-Y47 HydrophobicContact CB-CD1 4.42Å; L9-Y47 HydrophobicContact CB-CE1 4.27Å; L9-Y47 HydrophobicContact CD1-CD1 4.46Å; L9-Y47 HydrophobicContact CD1-CD2 4.16Å; L9-Y47 HydrophobicContact CD1-CE1 4.28Å; L9-Y47 HydrophobicContact CD1-CE2 3.98Å; L9-Y47 HydrophobicContact CD1-CG 4.38Å; D10-Y47 WeakPolarHBondContact CA-O 3.2Å; D10-Y47 PolarHBondContact N-O 2.7Å; E11-Y47 PolarHBondContact O-N 3.45Å; Y47-K49 WeakPolarHBondContact CE2-O 3.38Å; Y47-A50 HydrophobicContact CE2-CB 4.37Å; Y47-A50 VanDerWaalsContact OH-CB 3.23Å; Y47-A50 WeakPolarHBondContact OH-CB 3.38Å; Y47-A145 HydrophobicContact CD2-CB 4.38Å; Y47-A145 HydrophobicContact CE2-CB 3.5Å; Y47-F147 HydrophobicContact CD1-CE1 4.48Å; Y47-F147 HydrophobicContact CD2-CD1 4.17Å; Y47-F147 AromaticContact CD2-CE1 3.79Å; Y47-F147 HydrophobicContact CD2-CE1 3.79Å; Y47-F147 HydrophobicContact CD2-CZ 4.08Å; Y47-F147 HydrophobicContact CE2-CZ 4.38Å; Y47-F147 HydrophobicContact CG-CD1 4.3Å; Y47-F147 AromaticContact CG-CE1 3.78Å; Y47-F147 HydrophobicContact CG-CE1 3.78Å; Y47-F147 HydrophobicContact CG-CZ 4.37Å; Y47-S327 WeakPolarHBondContact OH-CB 3.37Å; Y47-S327 PolarHBondContact OH-OG 3.42Å; Y47-I330 HydrophobicContact CD1-CD1 4.27Å; Y47-I330 HydrophobicContact CE1-CD1 3.56Å; Y47-I330 HydrophobicContact CE1-CG1 3.9Å; Y47-I330 HydrophobicContact CE2-CD1 4.04Å; Y47-I330 VanDerWaalsContact CZ-CD1 3.41Å; Y47-I330 WeakPolarHBondContact OH-CD1 3.05Å
48E91.5Very high87.5Confident24 Ų2436.2 Ų36.211%0.11218%0.181CC..EExtended strand (participates in β ladder)trans-76.3-47.6-167.8-167.1-159.4170.400113.5H46 R146 R148H46-E48 PolarHBondContact O-N 2.88Å; E48-R146 PolarHBondContact N-O 2.9Å; E48-R146 WeakPolarHBondContact OE2-CD 3.35Å; E48-R148 HydrophobicContact CB-CG 4.36Å; E48-R148 HydrophobicContact CG-CG 4.5Å; E48-R148 IonicContact OE1-CZ 2.7Å; E48-R148 IonicContact OE1-NE 3.62Å; E48-R148 PolarHBondContact OE1-NE 2.84Å; E48-R148 IonicContact OE1-NH2 3.03Å; E48-R148 PolarHBondContact OE1-NH2 2.67Å; E48-R148 WeakPolarHBondContact OE2-CG 3.29Å; E48-R148 IonicContact OE2-CZ 3.91Å; E48-R148 IonicContact OE2-NE 3.19Å; E48-R148 PolarHBondContact OE2-NE 3.01Å; E48-R148 IonicContact OE2-NH2 2.71Å
49K92.3Very high89.6Confident75 Ų7532.2 Ų32.233%0.32616%0.158SC..EExtended strand (participates in β ladder)trans-148.8142.4-173.4-65.5-169.2178.5-165.30112.9Y47 R146Y47-K49 WeakPolarHBondContact CE2-O 3.38Å; K49-R146 HydrophobicContact CB-CB 4.21Å; K49-R146 PolarHBondContact N-O 2.79Å; K49-R146 PolarHBondContact O-N 3.48Å
50A92.6Very high91.3Very high3 Ų331.4 Ų31.43%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-112.4130.2166.300000109.6L9 Y47 Q324L9-A50 HydrophobicContact CD1-CB 4.14Å; L9-A50 HydrophobicContact CD2-CB 4.48Å; Y47-A50 HydrophobicContact CE2-CB 4.37Å; Y47-A50 VanDerWaalsContact OH-CB 3.23Å; Y47-A50 WeakPolarHBondContact OH-CB 3.38Å; A50-Q324 HydrophobicContact CB-CB 4.13Å; A50-Q324 HydrophobicContact CB-CG 4.4Å; A50-Q324 PolarHBondContact O-N 3.43Å
51H94.3Very high92.4Very high10 Ų1029.3 Ų29.35%0.04614%0.137CC..EExtended strand (participates in β ladder)trans-146.8159.4176.563.9-85.4000112.5I144 E168 L321 V322 E323H51-I144 VanDerWaalsContact CE1-CG2 3.46Å; H51-I144 WeakPolarHBondContact CE1-CG2 3.34Å; H51-I144 PolarHBondContact N-O 2.91Å; H51-I144 PolarHBondContact O-N 2.8Å; H51-E168 IonicContact CE1-OE1 2.77Å; H51-L321 HydrophobicContact CB-CD2 4.09Å; H51-L321 HydrophobicContact CB-CG 4.42Å; H51-V322 CarbonylContact C-O 3.46Å; H51-V322 WeakPolarHBondContact CA-O 3.41Å; H51-V322 WeakPolarHBondContact CB-O 3.47Å; H51-E323 HydrophobicContact CB-CG 4.28Å
52Q95.1Very high93.1Very high0 Ų027.3 Ų27.30%013%0.127CC..EExtended strand (participates in β ladder)trans-120.5130-178.7-69.7179-3100110Y54 P141 L142 N143 W195 L321 V322 Q324Q52-Y54 HydrophobicContact CB-CD2 4.07Å; Q52-Y54 HydrophobicContact CB-CE2 3.51Å; Q52-Y54 HydrophobicContact CG-CE2 4.45Å; Q52-Y54 PolarHBondContact OE1-OH 2.99Å; Q52-P141 HydrophobicContact CB-CB 3.99Å; Q52-P141 HydrophobicContact CG-CB 4.48Å; Q52-L142 CarbonylContact C-O 3.53Å; Q52-L142 WeakPolarHBondContact CA-O 3.44Å; Q52-N143 VanDerWaalsContact CG-OD1 3.28Å; Q52-N143 WeakPolarHBondContact CG-OD1 3.42Å; Q52-N143 PolarHBondContact NE2-OD1 2.88Å; Q52-W195 PolarHBondContact NE2-O 2.8Å; Q52-L321 CarbonylContact O-C 3.57Å; Q52-L321 WeakPolarHBondContact O-CA 3.32Å; Q52-V322 HydrophobicContact CB-CB 4.33Å; Q52-V322 PolarHBondContact N-O 3.27Å; Q52-V322 PolarHBondContact O-N 2.85Å; Q52-Q324 VanDerWaalsContact NE2-NE2 3.14Å
53L94.6Very high93.4Very high29 Ų2926.1 Ų26.115%0.15212%0.121CC..EExtended strand (participates in β ladder)trans-101.7106.4173.8-67.4-178000110.1P141 L142 I144 V311 L321L53-P141 CarbonylContact O-C 3.53Å; L53-P141 VanDerWaalsContact O-CA 3.23Å; L53-P141 WeakPolarHBondContact O-CA 3.47Å; L53-L142 HydrophobicContact CB-CB 4.35Å; L53-L142 PolarHBondContact N-O 2.82Å; L53-L142 PolarHBondContact O-N 2.92Å; L53-I144 HydrophobicContact CD1-CD1 3.43Å; L53-I144 VanDerWaalsContact CD1-CD1 3.43Å; L53-I144 HydrophobicContact CG-CD1 3.89Å; L53-V311 HydrophobicContact CD2-CG2 3.9Å; L53-L321 HydrophobicContact CD2-CB 3.77Å; L53-L321 HydrophobicContact CD2-CD1 3.76Å; L53-L321 HydrophobicContact CD2-CG 3.77Å
54Y96.4Very high93.7Very high1 Ų125.6 Ų25.60%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-90.5121.5177.8-74.1-94.6000110.8Q52 L138 G139 P141 L197 Q319 V320 V322Q52-Y54 HydrophobicContact CB-CD2 4.07Å; Q52-Y54 HydrophobicContact CB-CE2 3.51Å; Q52-Y54 HydrophobicContact CG-CE2 4.45Å; Q52-Y54 PolarHBondContact OE1-OH 2.99Å; Y54-L138 HydrophobicContact CD1-CB 3.99Å; Y54-L138 HydrophobicContact CD1-CD1 4.41Å; Y54-L138 HydrophobicContact CG-CB 4.48Å; Y54-L138 HydrophobicContact CG-CD1 4.39Å; Y54-G139 WeakPolarHBondContact CD1-O 3.42Å; Y54-P141 HydrophobicContact CD1-CB 3.85Å; Y54-P141 HydrophobicContact CD1-CG 4.25Å; Y54-P141 HydrophobicContact CD2-CB 3.92Å; Y54-P141 HydrophobicContact CE1-CB 3.66Å; Y54-P141 HydrophobicContact CE1-CG 3.61Å; Y54-P141 HydrophobicContact CE2-CB 3.74Å; Y54-P141 HydrophobicContact CE2-CG 4.2Å; Y54-P141 HydrophobicContact CG-CB 3.95Å; Y54-L197 HydrophobicContact CE1-CB 3.92Å; Y54-L197 HydrophobicContact CE2-CB 4.47Å; Y54-L197 HydrophobicContact CE2-CD1 4.36Å; Y54-L197 WeakPolarHBondContact OH-CB 3.31Å; Y54-L197 PolarHBondContact OH-N 2.83Å; Y54-Q319 CarbonylContact O-C 3.57Å; Y54-Q319 VanDerWaalsContact O-CA 3.26Å; Y54-Q319 WeakPolarHBondContact O-CA 3.36Å; Y54-V320 PolarHBondContact N-O 3.13Å; Y54-V320 PolarHBondContact O-N 3.46Å; Y54-V322 HydrophobicContact CD2-CB 4.34Å; Y54-V322 HydrophobicContact CD2-CG2 3.68Å; Y54-V322 HydrophobicContact CE2-CB 4.07Å; Y54-V322 HydrophobicContact CE2-CG2 3.67Å
55P95.5Very high93.8Very high41 Ų4125.6 Ų25.627%0.26612%0.118SC..EExtended strand (participates in β ladder)trans-72.7132.6171.430-32.6000110.5R57 G139 Q140 R318P55-R57 PolarHBondContact O-N 2.83Å; P55-G139 PolarHBondContact O-N 2.89Å; P55-Q140 WeakPolarHBondContact CD-O 2.97Å; P55-Q140 WeakPolarHBondContact CG-O 3.37Å; P55-R318 WeakPolarHBondContact CA-O 3.44Å
56I95.3Very high93.8Very high14 Ų1428.3 Ų28.37%0.07213%0.131CC..EExtended strand (participates in β ladder)trans-82.4111.7169.8-61.3168.6000107.6E58 Q59 V136 Y137 L138 L310 R318 V320I56-E58 WeakPolarHBondContact CG2-O 3.31Å; I56-Q59 HydrophobicContact CG2-CB 4.26Å; I56-V136 HydrophobicContact CD1-CG1 4.24Å; I56-V136 HydrophobicContact CG1-CB 4.45Å; I56-V136 HydrophobicContact CG2-CB 4Å; I56-V136 HydrophobicContact CG2-CG1 3.94Å; I56-Y137 WeakPolarHBondContact CA-O 3.47Å; I56-L138 HydrophobicContact CG1-CD2 4.07Å; I56-L310 HydrophobicContact CD1-CD2 4.12Å; I56-R318 PolarHBondContact N-O 2.77Å; I56-V320 HydrophobicContact CD1-CG2 3.95Å; I56-V320 HydrophobicContact CG1-CG2 4.06Å
57R93.7Very high93.7Very high142 Ų14226.9 Ų26.954%0.53613%0.125SC..EExtended strand (participates in β ladder)trans-94.3-27.7-177.6-62.3-173.3172.8164.46.2113.8P55 Y137 E199P55-R57 PolarHBondContact O-N 2.83Å; R57-Y137 HydrophobicContact CB-CD1 3.99Å; R57-Y137 HydrophobicContact CG-CD1 4.4Å; R57-Y137 PolarHBondContact N-O 3.34Å; R57-E199 IonicContact CZ-OE1 2.82Å; R57-E199 IonicContact NH1-OE1 2.69Å; R57-E199 PolarHBondContact NH1-OE1 2.88Å; R57-E199 IonicContact NH2-OE1 2.83Å
58E94Very high93.6Very high40 Ų4029 Ų2919%0.18714%0.14CC..EExtended strand (participates in β ladder)trans-137.8142.9177.2-63170.4-140.300108.1I56 V136 Y137 R221 F222I56-E58 WeakPolarHBondContact CG2-O 3.31Å; E58-V136 CarbonylContact O-C 3.51Å; E58-V136 WeakPolarHBondContact O-CA 3.46Å; E58-Y137 PolarHBondContact O-N 2.91Å; E58-R221 IonicContact OE1-CZ 2.73Å; E58-R221 VanDerWaalsContact OE1-CZ 3.27Å; E58-R221 IonicContact OE1-NE 3.21Å; E58-R221 PolarHBondContact OE1-NE 2.88Å; E58-R221 VanDerWaalsContact OE1-NE 3.13Å; E58-R221 IonicContact OE1-NH2 3.1Å; E58-R221 PolarHBondContact OE1-NH2 3.01Å; E58-R221 IonicContact OE2-NE 3.79Å; E58-F222 HydrophobicContact CB-CB 4.13Å; E58-F222 HydrophobicContact CG-CB 4.21Å; E58-F222 VanDerWaalsContact OE2-CB 3.28Å; E58-F222 WeakPolarHBondContact OE2-CB 3.42Å; E58-F222 PolarHBondContact OE2-N 2.79Å
59Q93.4Very high93.6Very high58 Ų5828.4 Ų28.427%0.27114%0.138SC..EExtended strand (participates in β ladder)trans-144.7140.2174-176.3176.6-0.900110.6I56 D134 A135 V136I56-Q59 HydrophobicContact CG2-CB 4.26Å; Q59-D134 PolarHBondContact NE2-OD1 2.79Å; Q59-D134 VanDerWaalsContact NE2-OD1 3.17Å; Q59-A135 VanDerWaalsContact CA-O 3.24Å; Q59-A135 WeakPolarHBondContact CA-O 3.47Å; Q59-V136 HydrophobicContact CB-CG1 4.45Å; Q59-V136 HydrophobicContact CG-CG1 4.1Å
60Y94.4Very high93.6Very high16 Ų1628.9 Ų28.96%0.06314%0.144CC..EExtended strand (participates in β ladder)trans-154.5155.216664.5-87.6000111.4F62 A135 M201 N220 F222 R234Y60-F62 HydrophobicContact CD2-CB 4.21Å; Y60-F62 HydrophobicContact CE2-CB 3.92Å; Y60-F62 HydrophobicContact CE2-CD1 4.02Å; Y60-F62 HydrophobicContact CE2-CG 4.25Å; Y60-A135 HydrophobicContact CD1-CB 4.02Å; Y60-A135 HydrophobicContact CD2-CB 4.22Å; Y60-A135 HydrophobicContact CE1-CB 3.59Å; Y60-A135 HydrophobicContact CE2-CB 3.8Å; Y60-A135 HydrophobicContact CG-CB 4.32Å; Y60-A135 VanDerWaalsContact CZ-CB 3.47Å; Y60-A135 PolarHBondContact N-O 2.78Å; Y60-A135 VanDerWaalsContact N-O 3.08Å; Y60-A135 PolarHBondContact O-N 2.91Å; Y60-M201 HydrophobicContact CE1-CE 3.83Å; Y60-N220 WeakPolarHBondContact CE1-O 3.36Å; Y60-N220 PolarHBondContact OH-O 3.05Å; Y60-F222 HydrophobicContact CD1-CB 4.43Å; Y60-F222 HydrophobicContact CD1-CD2 4.06Å; Y60-F222 HydrophobicContact CG-CD2 4.38Å; Y60-R234 HydrophobicContact CD2-CG 3.93Å; Y60-R234 HydrophobicContact CE2-CG 4.14Å; Y60-R234 VanDerWaalsContact CE2-NE 3.33Å
61I94.9Very high93.6Very high41 Ų4128.8 Ų28.821%0.2114%0.144CC..EExtended strand (participates in β ladder)trans-92.8133.7176.9-62167.1000109.7R132 F133 D134 R234 W235 W242I61-R132 HydrophobicContact CG2-CB 4.45Å; I61-F133 CarbonylContact C-O 3.55Å; I61-F133 WeakPolarHBondContact CA-O 3.23Å; I61-D134 WeakPolarHBondContact CG1-OD1 3.32Å; I61-R234 WeakPolarHBondContact O-CA 3.34Å; I61-W235 HydrophobicContact CB-CB 3.94Å; I61-W235 HydrophobicContact CG2-CB 3.68Å; I61-W235 HydrophobicContact CG2-CG 4.39Å; I61-W235 PolarHBondContact O-N 2.87Å; I61-W242 HydrophobicContact CG2-CH2 4.46Å
62F96.1Very high93.5Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-136.2165.2174.776.1-81.3000112.3Y60 I64 F133 A135 F203 I230 F233 R234 W242Y60-F62 HydrophobicContact CD2-CB 4.21Å; Y60-F62 HydrophobicContact CE2-CB 3.92Å; Y60-F62 HydrophobicContact CE2-CD1 4.02Å; Y60-F62 HydrophobicContact CE2-CG 4.25Å; F62-I64 HydrophobicContact CE2-CD1 4.07Å; F62-F133 HydrophobicContact CD1-CB 3.91Å; F62-F133 WeakPolarHBondContact CD1-O 3.48Å; F62-F133 HydrophobicContact CD2-CB 4.4Å; F62-F133 HydrophobicContact CE1-CB 3.39Å; F62-F133 HydrophobicContact CE1-CG 4.45Å; F62-F133 HydrophobicContact CE2-CB 3.96Å; F62-F133 HydrophobicContact CE2-CD2 4.28Å; F62-F133 HydrophobicContact CE2-CG 4.29Å; F62-F133 HydrophobicContact CG-CB 4.38Å; F62-F133 HydrophobicContact CZ-CB 3.42Å; F62-F133 VanDerWaalsContact CZ-CB 3.42Å; F62-F133 HydrophobicContact CZ-CD2 4.46Å; F62-F133 HydrophobicContact CZ-CG 4.01Å; F62-F133 PolarHBondContact N-O 2.88Å; F62-F133 PolarHBondContact O-N 2.92Å; F62-A135 HydrophobicContact CD1-CB 3.79Å; F62-A135 HydrophobicContact CE1-CB 3.75Å; F62-F203 HydrophobicContact CE1-CB 3.84Å; F62-F203 HydrophobicContact CE1-CD2 4.3Å; F62-F203 HydrophobicContact CE1-CG 4.27Å; F62-F203 HydrophobicContact CZ-CB 4.04Å; F62-F203 AromaticContact CZ-CD2 3.73Å; F62-F203 HydrophobicContact CZ-CD2 3.73Å; F62-F203 HydrophobicContact CZ-CE2 4.33Å; F62-F203 AromaticContact CZ-CG 3.95Å; F62-F203 HydrophobicContact CZ-CG 3.95Å; F62-I230 HydrophobicContact CE2-CB 4.16Å; F62-I230 HydrophobicContact CE2-CD1 4.06Å; F62-I230 HydrophobicContact CZ-CD1 3.75Å; F62-F233 VanDerWaalsContact CA-O 3.3Å; F62-F233 WeakPolarHBondContact CA-O 3.46Å; F62-F233 VanDerWaalsContact CB-O 3.31Å; F62-F233 WeakPolarHBondContact CB-O 3.38Å; F62-R234 HydrophobicContact CB-CG 4.45Å; F62-W242 VanDerWaalsContact C-CZ3 3.48Å
63G94.5Very high93.4Very high2 Ų230 Ų302%0.02115%0.151CC..  trans-126.5159.2176.100000110P65 F233G63-P65 WeakPolarHBondContact O-CD 3.15Å; G63-F233 PolarHBondContact N-O 3.33Å
64I93.7Very high93.2Very high2 Ų229.2 Ų29.21%0.0115%0.146CC..PPolyproline II helixtrans-83.2118.1168.4-56.5-58.2000107.1F62 Q66 L128 F133 V292 L294F62-I64 HydrophobicContact CE2-CD1 4.07Å; I64-Q66 PolarHBondContact O-N 3.44Å; I64-L128 HydrophobicContact CB-CB 4.16Å; I64-L128 HydrophobicContact CB-CD2 4.48Å; I64-L128 HydrophobicContact CG2-CB 4.29Å; I64-L128 HydrophobicContact CG2-CD2 4.06Å; I64-L128 WeakPolarHBondContact O-CB 3.39Å; I64-L128 PolarHBondContact O-N 2.85Å; I64-F133 HydrophobicContact CG1-CD2 4.33Å; I64-F133 HydrophobicContact CG1-CE2 3.78Å; I64-V292 HydrophobicContact CG2-CG1 4.39Å; I64-V292 HydrophobicContact CG2-CG2 4.31Å; I64-L294 HydrophobicContact CD1-CD2 3.54Å; I64-L294 HydrophobicContact CG1-CD2 3.79Å
65P92.8Very high92.8Very high3 Ų329.9 Ų29.92%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-74.2129.7-175.223.9-24.8000110.6G63 V125 W232 F233 F275 Y276 A277G63-P65 WeakPolarHBondContact O-CD 3.15Å; P65-V125 HydrophobicContact CB-CG1 3.46Å; P65-V125 VanDerWaalsContact CB-CG1 3.46Å; P65-W232 HydrophobicContact CB-CH2 3.58Å; P65-W232 HydrophobicContact CB-CZ2 4.13Å; P65-W232 HydrophobicContact CB-CZ3 3.97Å; P65-W232 HydrophobicContact CG-CD2 4.44Å; P65-W232 HydrophobicContact CG-CE3 4.38Å; P65-W232 HydrophobicContact CG-CH2 3.12Å; P65-W232 HydrophobicContact CG-CZ2 3.15Å; P65-W232 HydrophobicContact CG-CZ3 3.75Å; P65-F233 HydrophobicContact CB-CB 4.22Å; P65-F233 HydrophobicContact CB-CD1 4.03Å; P65-F233 HydrophobicContact CB-CG 4.18Å; P65-F233 HydrophobicContact CG-CB 4.25Å; P65-F275 WeakPolarHBondContact CD-O 3.41Å; P65-Y276 CarbonylContact O-C 3.6Å; P65-Y276 VanDerWaalsContact O-CA 3.3Å; P65-Y276 WeakPolarHBondContact O-CA 3.39Å; P65-Y276 WeakPolarHBondContact O-CB 3.21Å; P65-A277 PolarHBondContact O-N 3.32Å
66Q90.9Very high92.2Very high58 Ų5829.4 Ų29.427%0.27115%0.148SC..EExtended strand (participates in β ladder)trans-97.6116163.7-176.9175.50.600107.6I64 V125 K126 L128 A277 T279I64-Q66 PolarHBondContact O-N 3.44Å; Q66-V125 WeakPolarHBondContact O-CA 3.36Å; Q66-K126 WeakPolarHBondContact CB-O 3.29Å; Q66-K126 PolarHBondContact N-O 3.28Å; Q66-K126 PolarHBondContact O-N 2.56Å; Q66-L128 HydrophobicContact CB-CB 4.49Å; Q66-A277 WeakPolarHBondContact CA-O 3.36Å; Q66-T279 WeakPolarHBondContact CG-OG1 3.22Å; Q66-T279 PolarHBondContact NE2-OG1 2.76Å
67L90.3Very high91Very high4 Ų430.4 Ų30.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-96.2142.1-178.4-69.8169.3000110.6V123 V125 Y271 V273 Y276 A277 T279L67-V123 HydrophobicContact CD2-CG1 4.21Å; L67-V125 HydrophobicContact CD2-CB 4.17Å; L67-V125 HydrophobicContact CD2-CG1 3.89Å; L67-V125 HydrophobicContact CD2-CG2 3.53Å; L67-Y271 HydrophobicContact CB-CE2 4.17Å; L67-Y271 HydrophobicContact CD1-CD1 3.99Å; L67-Y271 HydrophobicContact CD1-CD2 3.99Å; L67-Y271 HydrophobicContact CD1-CE1 4.36Å; L67-Y271 HydrophobicContact CD1-CE2 4.4Å; L67-Y271 HydrophobicContact CD1-CG 3.78Å; L67-V273 HydrophobicContact CD1-CG2 3.93Å; L67-Y276 HydrophobicContact CB-CD2 4.18Å; L67-Y276 HydrophobicContact CD1-CD1 4.47Å; L67-Y276 HydrophobicContact CD1-CD2 3.59Å; L67-Y276 HydrophobicContact CD1-CE2 4.12Å; L67-Y276 HydrophobicContact CD1-CG 3.77Å; L67-Y276 HydrophobicContact CG-CD2 4.16Å; L67-A277 PolarHBondContact N-O 2.93Å; L67-A277 VanDerWaalsContact N-O 3.1Å; L67-T279 PolarHBondContact O-N 3.36Å; L67-T279 PolarHBondContact O-OG1 2.86Å
68S89.5Confident89.8Confident46 Ų4624.5 Ų24.532%0.32215%0.145SC..EExtended strand (participates in β ladder)trans-148.8129.8170.358.90000109.3T124S68-T124 PolarHBondContact N-O 3.45Å; S68-T124 VanDerWaalsContact N-O 3.09Å; S68-T124 PolarHBondContact O-N 3.06Å; S68-T124 PolarHBondContact OG-O 2.77Å
69S91.2Very high88.6Confident11 Ų1124.7 Ų24.78%0.07715%0.147CC..EExtended strand (participates in β ladder)trans-103.8149167.766.70000111.3E122 Y267 E269 Y271S69-E122 WeakPolarHBondContact CA-O 3.46Å; S69-Y267 PolarHBondContact O-OH 2.99Å; S69-Y267 PolarHBondContact OG-OH 2.77Å; S69-E269 WeakPolarHBondContact CB-OE2 3.47Å; S69-E269 PolarHBondContact OG-OE1 2.92Å; S69-E269 PolarHBondContact OG-OE2 3.3Å; S69-Y271 WeakPolarHBondContact CB-OH 3.37Å
70D91.7Very high87.9Confident86 Ų8628 Ų2846%0.4617%0.167SC..EExtended strand (participates in β ladder)trans-124.7114.4161.1-17115.5000107.5C121 E122D70-C121 CarbonylContact O-C 3.59Å; D70-C121 VanDerWaalsContact O-CA 3.23Å; D70-C121 WeakPolarHBondContact O-CA 3.28Å; D70-E122 PolarHBondContact N-O 3.43Å; D70-E122 PolarHBondContact O-N 2.95Å
71C93.1Very high87.3Confident1 Ų130.8 Ų30.81%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-113.9147.5-173-59.70000112.1L119 C120 C121 Y267 G461C71-L119 HydrophobicContact CB-CD2 4.44Å; C71-C120 CarbonylContact C-O 3.52Å; C71-C120 VanDerWaalsContact CA-O 3.27Å; C71-C120 WeakPolarHBondContact CA-O 3.07Å; C71-C121 HydrophobicContact CB-CB 3.93Å; C71-C121 WeakPolarHBondContact CB-SG 3.44Å; C71-C121 WeakPolarHBondContact SG-CB 3.22Å; C71-C121 CovalentContact SG-SG 2.02Å; C71-C121 PolarHBondContact SG-SG 3.03Å; C71-Y267 HydrophobicContact CB-CD1 3.96Å; C71-Y267 HydrophobicContact CB-CD2 4.45Å; C71-Y267 HydrophobicContact CB-CE1 3.49Å; C71-Y267 VanDerWaalsContact CB-CE1 3.49Å; C71-Y267 HydrophobicContact CB-CE2 4.01Å; C71-Y267 HydrophobicContact CB-CG 4.42Å; C71-Y267 PolarHBondContact N-OH 2.62Å; C71-Y267 VanDerWaalsContact SG-CE2 3.53Å; C71-Y267 VanDerWaalsContact SG-CZ 3.57Å; C71-G461 VanDerWaalsContact O-CA 3.28Å; C71-G461 WeakPolarHBondContact O-CA 3.48Å
72I92.8Very high86.9Confident31 Ų3129 Ų2916%0.15917%0.171CC..EExtended strand (participates in β ladder)trans-115.8143167.263.8174.5000109.5H81 C82 L119 C120 Q265 C463I72-H81 HydrophobicContact CD1-CB 3.87Å; I72-C82 HydrophobicContact CD1-CB 4.5Å; I72-L119 WeakPolarHBondContact O-CA 3.37Å; I72-C120 HydrophobicContact CD1-CB 4.25Å; I72-C120 HydrophobicContact CG1-CB 3.8Å; I72-C120 WeakPolarHBondContact CG1-O 3.49Å; I72-C120 PolarHBondContact N-O 3.17Å; I72-C120 PolarHBondContact O-N 2.9Å; I72-Q265 VanDerWaalsContact CA-OE1 3.23Å; I72-C463 HydrophobicContact CB-CB 4.41Å; I72-C463 HydrophobicContact CG2-CB 3.85Å
73C92.4Very high86.4Confident5 Ų531.3 Ų31.33%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-117124.9174.6-173.50000110.6D118 L119 C262 Q265 N467C73-D118 WeakPolarHBondContact CA-O 3.26Å; C73-L119 HydrophobicContact CB-CD1 3.92Å; C73-L119 HydrophobicContact CB-CG 3.98Å; C73-L119 WeakPolarHBondContact SG-CD1 3.39Å; C73-C262 VanDerWaalsContact C-SG 3.51Å; C73-C262 HydrophobicContact CB-CB 4.02Å; C73-C262 WeakPolarHBondContact CB-SG 3.33Å; C73-C262 VanDerWaalsContact SG-CA 3.5Å; C73-C262 WeakPolarHBondContact SG-CB 3.46Å; C73-C262 CovalentContact SG-SG 2.03Å; C73-C262 PolarHBondContact SG-SG 3Å; C73-Q265 PolarHBondContact O-NE2 2.77Å; C73-N467 PolarHBondContact O-ND2 2.81Å; C73-N467 PolarHBondContact O-OD1 3.01Å
74D90.5Very high86.1Confident11 Ų1136 Ų366%0.05922%0.216CC..EExtended strand (participates in β ladder)trans-105120.6176.9-76.8-6000110.9H81 C82 A117 D118D74-H81 VanDerWaalsContact OD2-C 3.32Å; D74-H81 VanDerWaalsContact OD2-CA 3.29Å; D74-H81 WeakPolarHBondContact OD2-CA 3.27Å; D74-H81 WeakPolarHBondContact OD2-CB 3.23Å; D74-H81 PolarHBondContact OD2-N 3.29Å; D74-C82 HydrophobicContact CB-CB 4.2Å; D74-C82 WeakPolarHBondContact OD2-CA 3.39Å; D74-C82 VanDerWaalsContact OD2-CB 3.26Å; D74-C82 WeakPolarHBondContact OD2-CB 3.39Å; D74-C82 PolarHBondContact OD2-N 3.1Å; D74-A117 VanDerWaalsContact O-CA 3.29Å; D74-A117 WeakPolarHBondContact O-CA 3.17Å; D74-A117 WeakPolarHBondContact O-CB 3.36Å; D74-D118 PolarHBondContact N-O 2.9Å; D74-D118 PolarHBondContact O-N 2.88Å; D74-D118 VanDerWaalsContact O-N 3.13Å
75C88.5Confident85.7Confident16 Ų1637.8 Ų37.811%0.10824%0.235CC..  trans-70.9149.9173.8-74.70000111.6G77 G78 C111 C262 N467C75-G77 PolarHBondContact O-N 2.84Å; C75-G78 PolarHBondContact O-N 3.14Å; C75-C111 WeakPolarHBondContact CA-SG 3.38Å; C75-C111 HydrophobicContact CB-CB 3.65Å; C75-C111 WeakPolarHBondContact CB-SG 3.27Å; C75-C111 WeakPolarHBondContact SG-CA 3.26Å; C75-C111 WeakPolarHBondContact SG-CB 3.46Å; C75-C111 CovalentContact SG-SG 2.03Å; C75-C111 PolarHBondContact SG-SG 2.79Å; C75-C262 VanDerWaalsContact SG-SG 3.69Å; C75-N467 WeakPolarHBondContact CB-OD1 3.49Å; C75-N467 PolarHBondContact N-OD1 3.38Å; C75-N467 PolarHBondContact SG-OD1 3.06Å
76P82.8Confident85.3Confident30 Ų3039.3 Ų39.320%0.19524%0.24CC..THydrogen-bonded Turntrans-57.4129.9173.824.4-33.6000110.5G78 A108 L113P76-G78 VanDerWaalsContact C-N 3.33Å; P76-A108 HydrophobicContact CG-CB 4.15Å; P76-L113 HydrophobicContact CG-CB 4.17Å; P76-L113 WeakPolarHBondContact CG-O 3Å; P76-L113 VanDerWaalsContact O-CD1 3.3Å; P76-L113 WeakPolarHBondContact O-CD1 3.18Å
77G69.9Low85.2Confident35 Ų3537.3 Ų37.336%0.36123%0.233SC..THydrogen-bonded Turntrans82.4-0.2-17900000115.8C75C75-G77 PolarHBondContact O-N 2.84Å
78G68.9Low85.1Confident19 Ų1943 Ų4320%0.19626%0.255CS..SBendtrans-76.2-176.9170.900000113.4C75 P76 N473C75-G78 PolarHBondContact O-N 3.14Å; P76-G78 VanDerWaalsContact C-N 3.33Å; G78-N473 VanDerWaalsContact C-ND2 3.34Å; G78-N473 PolarHBondContact O-ND2 3.25Å; G78-N473 VanDerWaalsContact O-ND2 3.1Å
79D69.3Low85.2Confident43 Ų4346 Ų4623%0.2326%0.262CS..  trans-66.1142.2170.2-72-31.3000111.1H81 N473D79-H81 VanDerWaalsContact C-N 3.35Å; D79-H81 PolarHBondContact O-N 2.78Å; D79-N473 PolarHBondContact N-ND2 3.42Å; D79-N473 PolarHBondContact OD1-ND2 3.07Å
80D77.5Confident85.1Confident129 Ų12949 Ų4969%0.6928%0.277SS*.  trans-82.274.4-176.6-175.111.4000110.7S83D80-S83 WeakPolarHBondContact OD1-CB 3.33Å
81H82.6Confident84.9Confident74 Ų7445.6 Ų45.634%0.34326%0.26SS..SBendtrans-84.7-21.7172.2-64-74.6000112I72 D74 D79I72-H81 HydrophobicContact CD1-CB 3.87Å; D74-H81 VanDerWaalsContact OD2-C 3.32Å; D74-H81 VanDerWaalsContact OD2-CA 3.29Å; D74-H81 WeakPolarHBondContact OD2-CA 3.27Å; D74-H81 WeakPolarHBondContact OD2-CB 3.23Å; D74-H81 PolarHBondContact OD2-N 3.29Å; D79-H81 VanDerWaalsContact C-N 3.35Å; D79-H81 PolarHBondContact O-N 2.78Å
82C87.1Confident84.1Confident2 Ų251.2 Ų51.21%0.01430%0.299CS..SBendtrans-126.6101.4-175.4-176.60000111.6I72 D74 D118 C120I72-C82 HydrophobicContact CD1-CB 4.5Å; D74-C82 HydrophobicContact CB-CB 4.2Å; D74-C82 WeakPolarHBondContact OD2-CA 3.39Å; D74-C82 VanDerWaalsContact OD2-CB 3.26Å; D74-C82 WeakPolarHBondContact OD2-CB 3.39Å; D74-C82 PolarHBondContact OD2-N 3.1Å; C82-D118 HydrophobicContact CB-CB 4.44Å; C82-C120 WeakPolarHBondContact CA-SG 3.28Å; C82-C120 HydrophobicContact CB-CB 3.7Å; C82-C120 WeakPolarHBondContact CB-SG 3.3Å; C82-C120 VanDerWaalsContact SG-CA 3.56Å; C82-C120 WeakPolarHBondContact SG-CB 3.35Å; C82-C120 PolarHBondContact SG-N 2.88Å; C82-C120 CovalentContact SG-SG 2.03Å; C82-C120 PolarHBondContact SG-SG 2.93Å
83S85.2Confident83.3Confident50 Ų5051.7 Ų51.735%0.3531%0.305SS..  trans-121.4165.8175.759.30000112D80 G85 Y86D80-S83 WeakPolarHBondContact OD1-CB 3.33Å; S83-G85 PolarHBondContact O-N 3.26Å; S83-Y86 WeakPolarHBondContact O-CB 3.01Å; S83-Y86 PolarHBondContact O-N 3.03Å
84V87.1Confident82.2Confident100 Ų10057.4 Ų57.461%0.60634%0.343SS*.G310 helixtrans-50.6-30.9173.5-176.50000112.3Y86 S87 Y102V84-Y86 PolarHBondContact O-N 2.71Å; V84-Y86 VanDerWaalsContact O-N 3.1Å; V84-S87 WeakPolarHBondContact O-CB 3.3Å; V84-S87 PolarHBondContact O-N 3.43Å; V84-S87 VanDerWaalsContact O-N 3.08Å; V84-Y102 HydrophobicContact CB-CE1 4.3Å; V84-Y102 HydrophobicContact CG2-CD1 4.49Å; V84-Y102 HydrophobicContact CG2-CE1 3.72Å
85G86.1Confident81.4Confident40 Ų4065.1 Ų65.141%0.41238%0.378SS..G310 helixtrans-64.2-10.5176.500000114.5S83 K89S83-G85 PolarHBondContact O-N 3.26Å; G85-K89 VanDerWaalsContact O-CD 3.27Å; G85-K89 WeakPolarHBondContact O-CD 3.23Å; G85-K89 WeakPolarHBondContact O-CE 3.28Å; G85-K89 PolarHBondContact O-NZ 2.8Å
86Y84.9Confident81.2Confident34 Ų3465 Ų6513%0.13338%0.378CS..G310 helixtrans-74.2-29.5173.2-157.5-93.3000112S83 V84 R100 C120 C121 E122S83-Y86 WeakPolarHBondContact O-CB 3.01Å; S83-Y86 PolarHBondContact O-N 3.03Å; V84-Y86 PolarHBondContact O-N 2.71Å; V84-Y86 VanDerWaalsContact O-N 3.1Å; Y86-R100 HydrophobicContact CD1-CB 3.57Å; Y86-R100 HydrophobicContact CD1-CG 4.03Å; Y86-R100 HydrophobicContact CE1-CB 3.45Å; Y86-R100 VanDerWaalsContact CE1-CB 3.45Å; Y86-R100 HydrophobicContact CE1-CG 3.48Å; Y86-R100 VanDerWaalsContact CE1-CG 3.48Å; Y86-R100 HydrophobicContact CE2-CG 4.42Å; Y86-R100 HydrophobicContact CG-CB 4.36Å; Y86-R100 WeakPolarHBondContact O-CB 3.48Å; Y86-C120 VanDerWaalsContact CB-SG 3.56Å; Y86-C120 HydrophobicContact CD1-CB 3.58Å; Y86-C120 HydrophobicContact CD2-CB 4.13Å; Y86-C120 HydrophobicContact CE1-CB 3.68Å; Y86-C120 HydrophobicContact CE2-CB 4.2Å; Y86-C120 HydrophobicContact CG-CB 3.83Å; Y86-C120 VanDerWaalsContact CG-SG 3.52Å; Y86-C121 WeakPolarHBondContact CE1-O 3.46Å; Y86-E122 WeakPolarHBondContact OH-CG 3.45Å
87S87.3Confident81.6Confident16 Ų1664.4 Ų64.411%0.11237%0.373CS..THydrogen-bonded Turntrans-65147.7-174.5-163.70000113.7V84 K89 Q252V84-S87 WeakPolarHBondContact O-CB 3.3Å; V84-S87 PolarHBondContact O-N 3.43Å; V84-S87 VanDerWaalsContact O-N 3.08Å; S87-K89 PolarHBondContact O-N 2.86Å; S87-K89 VanDerWaalsContact O-N 3.13Å; S87-Q252 PolarHBondContact OG-OE1 2.83Å
88Y89.1Confident82.7Confident124 Ų12463 Ų6349%0.48636%0.358SS..THydrogen-bonded Turntrans59.419.6173.8-49.8-75.4000116R100 R248 I249 Q252Y88-R100 PolarHBondContact N-O 2.86Å; Y88-R248 VanDerWaalsContact O-CD 3.32Å; Y88-R248 WeakPolarHBondContact O-CD 3.1Å; Y88-I249 HydrophobicContact CD1-CG1 4.32Å; Y88-I249 HydrophobicContact CE1-CG1 4.46Å; Y88-Q252 HydrophobicContact CD1-CB 4.1Å; Y88-Q252 HydrophobicContact CD1-CG 4.2Å; Y88-Q252 HydrophobicContact CE1-CB 3.71Å; Y88-Q252 HydrophobicContact CE1-CG 3.52Å; Y88-Q252 HydrophobicContact CE2-CG 4.47Å
89K90.9Very high84Confident109 Ų10962.1 Ų62.147%0.47435%0.348SS..PPolyproline II helixtrans-99.5155.9176.7-71.6-179.6179.6167.40111.9G85 S87 V99 R100G85-K89 VanDerWaalsContact O-CD 3.27Å; G85-K89 WeakPolarHBondContact O-CD 3.23Å; G85-K89 WeakPolarHBondContact O-CE 3.28Å; G85-K89 PolarHBondContact O-NZ 2.8Å; S87-K89 PolarHBondContact O-N 2.86Å; S87-K89 VanDerWaalsContact O-N 3.13Å; K89-V99 CarbonylContact O-C 3.59Å; K89-V99 WeakPolarHBondContact O-CA 3.48Å; K89-R100 HydrophobicContact CB-CB 4.4Å; K89-R100 PolarHBondContact O-N 2.95Å
90N89.3Confident85.2Confident73 Ų7363.5 Ų63.539%0.3935%0.35SS..BIsolated β-bridgetrans-82.3147.2168.3-72.9-3.4000109.4C98 R248N90-C98 WeakPolarHBondContact CA-O 3.46Å; N90-R248 VanDerWaalsContact CG-NH2 3.3Å; N90-R248 PolarHBondContact ND2-NH2 3.12Å; N90-R248 PolarHBondContact OD1-NE 2.9Å; N90-R248 PolarHBondContact OD1-NH2 3.34Å
91C88.4Confident86Confident16 Ų1657.4 Ų57.411%0.10832%0.318CS..PPolyproline II helixtrans-92.5170.9167.898.70000111.4S93 C98 R100 E122C91-S93 VanDerWaalsContact C-N 3.26Å; C91-S93 PolarHBondContact O-N 3.23Å; C91-S93 VanDerWaalsContact O-N 3.17Å; C91-C98 HydrophobicContact CB-CB 4.02Å; C91-C98 WeakPolarHBondContact CB-SG 3.42Å; C91-C98 PolarHBondContact N-O 3.29Å; C91-C98 WeakPolarHBondContact SG-CB 3.36Å; C91-C98 CovalentContact SG-SG 2Å; C91-C98 PolarHBondContact SG-SG 2.87Å; C91-R100 HydrophobicContact CB-CG 4.37Å; C91-E122 HydrophobicContact CB-CG 4.33Å
92S76.5Confident86.6Confident118 Ų11855.5 Ų55.583%0.82531%0.308SS*.SBendtrans-82.622.3-171.3-56.60000115.3P94S92-P94 VanDerWaalsContact O-CD 3.29Å; S92-P94 WeakPolarHBondContact O-CD 3.33Å
93S75.3Confident86.9Confident41 Ų4156.7 Ų56.729%0.28731%0.313SS..  trans-82.7113.2-177.1-166.80000112C91 Q95C91-S93 VanDerWaalsContact C-N 3.26Å; C91-S93 PolarHBondContact O-N 3.23Å; C91-S93 VanDerWaalsContact O-N 3.17Å; S93-Q95 PolarHBondContact O-N 2.98Å
94P69.1Low87.2Confident126 Ų12655.7 Ų55.782%0.81831%0.308SS*.SBendtrans-77.2-18.7-168.727.4-32.8000115S92S92-P94 VanDerWaalsContact O-CD 3.29Å; S92-P94 WeakPolarHBondContact O-CD 3.33Å
95Q73.5Confident87.4Confident173 Ų17357 Ų5781%0.80831%0.307SS*.SBendtrans-114.9-1.9-173.3-67.3-176.8-6.500114.3S93S93-Q95 PolarHBondContact O-N 2.98Å
96A83.7Confident87.7Confident13 Ų1356.5 Ų56.511%0.10729%0.294CS..SBendtrans-129.4153.3-175.900000109.9C98 T124 K126A96-C98 PolarHBondContact O-N 3.23Å; A96-T124 HydrophobicContact CB-CG2 3.49Å; A96-T124 VanDerWaalsContact CB-CG2 3.49Å; A96-K126 HydrophobicContact CB-CD 4.26Å; A96-K126 HydrophobicContact CB-CG 3.54Å
97F91.9Very high87.9Confident17 Ų1757.4 Ų57.48%0.07530%0.304CS..EExtended strand (participates in β ladder)trans-73.6121.7166.8179.4-87.9000107.5V99 V125 F233 D243 I244 I251F97-V99 HydrophobicContact CD1-CG1 4.33Å; F97-V99 HydrophobicContact CE1-CB 4.35Å; F97-V99 HydrophobicContact CE1-CG1 3.4Å; F97-V99 HydrophobicContact CE1-CG2 4.03Å; F97-V99 HydrophobicContact CE2-CG1 4.45Å; F97-V99 HydrophobicContact CZ-CG1 3.47Å; F97-V99 VanDerWaalsContact CZ-CG1 3.47Å; F97-V125 HydrophobicContact CB-CB 4.25Å; F97-V125 HydrophobicContact CD1-CB 4.41Å; F97-V125 HydrophobicContact CD1-CG2 3.89Å; F97-V125 PolarHBondContact N-O 3.01Å; F97-V125 PolarHBondContact O-N 3.31Å; F97-F233 HydrophobicContact CB-CE2 4.05Å; F97-D243 WeakPolarHBondContact CD2-OD1 3.33Å; F97-D243 WeakPolarHBondContact CE2-OD1 3.42Å; F97-I244 HydrophobicContact CD1-CB 4.44Å; F97-I244 HydrophobicContact CD1-CD1 3.58Å; F97-I244 HydrophobicContact CD1-CG1 4.03Å; F97-I244 HydrophobicContact CD2-CG1 4.5Å; F97-I244 HydrophobicContact CE1-CB 4.15Å; F97-I244 HydrophobicContact CE1-CD1 3.76Å; F97-I244 HydrophobicContact CE1-CG1 4.2Å; F97-I244 HydrophobicContact CE2-CB 4.24Å; F97-I244 HydrophobicContact CG-CD1 4.19Å; F97-I244 HydrophobicContact CG-CG1 4.18Å; F97-I244 HydrophobicContact CZ-CB 4.06Å; F97-I251 HydrophobicContact CE1-CG1 4.49Å
98C93.8Very high87.9Confident7 Ų757.6 Ų57.65%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-136.2131.3-176.4-172.40000112.5N90 C91 A96 V123N90-C98 WeakPolarHBondContact CA-O 3.46Å; C91-C98 HydrophobicContact CB-CB 4.02Å; C91-C98 WeakPolarHBondContact CB-SG 3.42Å; C91-C98 PolarHBondContact N-O 3.29Å; C91-C98 WeakPolarHBondContact SG-CB 3.36Å; C91-C98 CovalentContact SG-SG 2Å; C91-C98 PolarHBondContact SG-SG 2.87Å; A96-C98 PolarHBondContact O-N 3.23Å; C98-V123 WeakPolarHBondContact CA-O 3.27Å
99V94.4Very high88Confident0 Ų055.3 Ų55.30%031%0.305CS..EExtended strand (participates in β ladder)trans-137.8150.9-177.8-67.30000111.3K89 F97 V123 R248 I251K89-V99 CarbonylContact O-C 3.59Å; K89-V99 WeakPolarHBondContact O-CA 3.48Å; F97-V99 HydrophobicContact CD1-CG1 4.33Å; F97-V99 HydrophobicContact CE1-CB 4.35Å; F97-V99 HydrophobicContact CE1-CG1 3.4Å; F97-V99 HydrophobicContact CE1-CG2 4.03Å; F97-V99 HydrophobicContact CE2-CG1 4.45Å; F97-V99 HydrophobicContact CZ-CG1 3.47Å; F97-V99 VanDerWaalsContact CZ-CG1 3.47Å; V99-V123 HydrophobicContact CG2-CB 4.33Å; V99-V123 PolarHBondContact N-O 2.84Å; V99-V123 PolarHBondContact O-N 2.8Å; V99-R248 HydrophobicContact CG1-CG 3.82Å; V99-I251 HydrophobicContact CG2-CB 3.7Å; V99-I251 HydrophobicContact CG2-CG1 3.95Å; V99-I251 HydrophobicContact CG2-CG2 3.58Å
100R94.5Very high87.7Confident71 Ų7151.5 Ų51.527%0.26830%0.298SS..EExtended strand (participates in β ladder)trans-97.3130.7178.4-73.9-176.5174.6174.60.7110.7Y86 Y88 K89 C91 C121 E122Y86-R100 HydrophobicContact CD1-CB 3.57Å; Y86-R100 HydrophobicContact CD1-CG 4.03Å; Y86-R100 HydrophobicContact CE1-CB 3.45Å; Y86-R100 VanDerWaalsContact CE1-CB 3.45Å; Y86-R100 HydrophobicContact CE1-CG 3.48Å; Y86-R100 VanDerWaalsContact CE1-CG 3.48Å; Y86-R100 HydrophobicContact CE2-CG 4.42Å; Y86-R100 HydrophobicContact CG-CB 4.36Å; Y86-R100 WeakPolarHBondContact O-CB 3.48Å; Y88-R100 PolarHBondContact N-O 2.86Å; K89-R100 HydrophobicContact CB-CB 4.4Å; K89-R100 PolarHBondContact O-N 2.95Å; C91-R100 HydrophobicContact CB-CG 4.37Å; R100-C121 CarbonylContact C-O 3.55Å; R100-C121 VanDerWaalsContact CA-O 3.29Å; R100-C121 WeakPolarHBondContact CA-O 3.14Å; R100-E122 HydrophobicContact CG-CG 4.22Å; R100-E122 IonicContact CZ-OE1 2.84Å; R100-E122 VanDerWaalsContact CZ-OE1 3.25Å; R100-E122 IonicContact NE-OE1 3.27Å; R100-E122 PolarHBondContact NE-OE1 3.08Å; R100-E122 IonicContact NH2-OE1 3.95Å; R100-E122 PolarHBondContact NH2-OE1 2.91Å
101T94.9Very high87.6Confident1 Ų149 Ų491%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-117.6143.6175.862.60000111.3H103 C120 C121 V123 I251 Q252 H255T101-H103 PolarHBondContact OG1-NE2 2.73Å; T101-C120 CarbonylContact O-C 3.52Å; T101-C120 WeakPolarHBondContact O-CA 3.35Å; T101-C121 PolarHBondContact N-O 2.81Å; T101-C121 PolarHBondContact O-N 2.81Å; T101-V123 HydrophobicContact CG2-CG2 4.06Å; T101-I251 HydrophobicContact CG2-CG2 3.9Å; T101-Q252 HydrophobicContact CG2-CB 4.36Å; T101-H255 HydrophobicContact CG2-CB 4.35Å; T101-H255 PolarHBondContact OG1-ND1 2.73Å
102Y94.9Very high87.4Confident34 Ų3455.4 Ų55.413%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-122135.6178.7171.1-107.4000110.5V84 A104 D118 L119 Q252V84-Y102 HydrophobicContact CB-CE1 4.3Å; V84-Y102 HydrophobicContact CG2-CD1 4.49Å; V84-Y102 HydrophobicContact CG2-CE1 3.72Å; Y102-A104 HydrophobicContact CE1-CB 3.72Å; Y102-D118 HydrophobicContact CE2-CB 3.9Å; Y102-D118 VanDerWaalsContact OH-CG 3.23Å; Y102-D118 PolarHBondContact OH-OD1 2.84Å; Y102-D118 PolarHBondContact OH-OD2 2.8Å; Y102-L119 CarbonylContact C-O 3.58Å; Y102-L119 WeakPolarHBondContact CA-O 3.34Å; Y102-Q252 PolarHBondContact O-NE2 3.32Å
103H94.6Very high87.6Confident28 Ų2853.8 Ų53.813%0.1330%0.296CS..EExtended strand (participates in β ladder)trans-133.998.8-176.6-63.9-80.6000109.3T101 Q106 L119 H255 L257T101-H103 PolarHBondContact OG1-NE2 2.73Å; H103-Q106 HydrophobicContact CB-CG 4.45Å; H103-L119 HydrophobicContact CB-CB 4.15Å; H103-L119 PolarHBondContact N-O 3.21Å; H103-L119 PolarHBondContact O-N 2.75Å; H103-H255 PolarHBondContact CE1-O 3.45Å; H103-H255 AromaticContact NE2-CG 3.99Å; H103-H255 AromaticContact NE2-ND1 3.54Å; H103-L257 HydrophobicContact CB-CD1 4.48Å; H103-L257 WeakPolarHBondContact CD2-CD1 3.26Å
104A91.7Very high87.8Confident28 Ų2857.7 Ų57.723%0.23132%0.323CS..EExtended strand (participates in β ladder)trans-76.1169.8176.800000112.3Y102 Q106 D118Y102-A104 HydrophobicContact CE1-CB 3.72Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 2.88Å; A104-D118 WeakPolarHBondContact CA-OD1 3.38Å
105H90.2Very high88.4Confident129 Ų12953.9 Ų53.960%0.59731%0.306SS*.EExtended strand (participates in β ladder)trans60.536.8167.8-49.1-65.7000113.5E116H105-E116 IonicContact CE1-OE2 3.78Å; H105-E116 PolarHBondContact CE1-OE2 3.16Å; H105-E116 IonicContact CG-OE2 3.24Å; H105-E116 IonicContact ND1-OE1 2.74Å; H105-E116 PolarHBondContact ND1-OE1 2.9Å; H105-E116 IonicContact ND1-OE2 3.13Å; H105-E116 PolarHBondContact ND1-OE2 3.24Å
106Q91.9Very high89.2Confident28 Ų2851.3 Ų51.313%0.13129%0.294CS..EExtended strand (participates in β ladder)trans-83.8151177.6-64.8-71.7-47.100110.4H103 A104 A108 A117 L119 T259H103-Q106 HydrophobicContact CB-CG 4.45Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 2.88Å; Q106-A108 PolarHBondContact O-N 2.88Å; Q106-A117 WeakPolarHBondContact CA-O 3.5Å; Q106-A117 HydrophobicContact CB-CB 4.46Å; Q106-A117 VanDerWaalsContact CB-O 3.28Å; Q106-A117 WeakPolarHBondContact CB-O 3.46Å; Q106-A117 PolarHBondContact N-O 2.81Å; Q106-A117 PolarHBondContact O-N 3.33Å; Q106-L119 HydrophobicContact CB-CD1 3.77Å; Q106-L119 HydrophobicContact CG-CD1 3.67Å; Q106-T259 WeakPolarHBondContact CB-OG1 3.37Å; Q106-T259 PolarHBondContact OE1-OG1 2.92Å
107P90.4Very high89.5Confident53 Ų5350.7 Ų50.734%0.34429%0.289SS..EExtended strand (participates in β ladder)trans-65.1125.2177.625.2-30.9000109.9T109P107-T109 PolarHBondContact O-N 2.85Å
108A87.8Confident89.5Confident20 Ų2051.7 Ų51.717%0.16530%0.295CS..  trans-74.237.417800000113.1P76 Q106 G110 C111 G115 A117P76-A108 HydrophobicContact CG-CB 4.15Å; Q106-A108 PolarHBondContact O-N 2.88Å; A108-G110 PolarHBondContact O-N 2.84Å; A108-C111 HydrophobicContact CB-CB 3.95Å; A108-C111 VanDerWaalsContact O-CB 3.24Å; A108-C111 WeakPolarHBondContact O-CB 3.48Å; A108-C111 PolarHBondContact O-N 3.06Å; A108-C111 PolarHBondContact O-SG 3.48Å; A108-G115 WeakPolarHBondContact CB-O 3.26Å; A108-A117 HydrophobicContact CB-CB 4.16Å
109T89.3Confident89.4Confident76 Ų7651.4 Ų51.447%0.46629%0.293SS..THydrogen-bonded Turntrans-59.7124.7179.3-53.30000109.8P107 C111 R260 N261 C262P107-T109 PolarHBondContact O-N 2.85Å; T109-C111 VanDerWaalsContact C-N 3.34Å; T109-R260 WeakPolarHBondContact CB-O 3.33Å; T109-R260 WeakPolarHBondContact CG2-O 3.24Å; T109-N261 CarbonylContact O-C 3.59Å; T109-N261 WeakPolarHBondContact O-CA 3.44Å; T109-C262 PolarHBondContact O-N 3.17Å
110G85.8Confident89.4Confident30 Ų3051.4 Ų51.431%0.30929%0.293SS..THydrogen-bonded Turntrans89-11.7-17600000114.6A108 Q263A108-G110 PolarHBondContact O-N 2.84Å; G110-Q263 VanDerWaalsContact O-CB 3.29Å; G110-Q263 WeakPolarHBondContact O-CB 3.33Å; G110-Q263 PolarHBondContact O-OE1 2.7Å
111C86.8Confident89.4Confident21 Ų2148 Ų4814%0.14228%0.281CS..  trans-73.2151.1174.6-59.70000111.8C75 A108 T109C75-C111 WeakPolarHBondContact CA-SG 3.38Å; C75-C111 HydrophobicContact CB-CB 3.65Å; C75-C111 WeakPolarHBondContact CB-SG 3.27Å; C75-C111 WeakPolarHBondContact SG-CA 3.26Å; C75-C111 WeakPolarHBondContact SG-CB 3.46Å; C75-C111 CovalentContact SG-SG 2.03Å; C75-C111 PolarHBondContact SG-SG 2.79Å; A108-C111 HydrophobicContact CB-CB 3.95Å; A108-C111 VanDerWaalsContact O-CB 3.24Å; A108-C111 WeakPolarHBondContact O-CB 3.48Å; A108-C111 PolarHBondContact O-N 3.06Å; A108-C111 PolarHBondContact O-SG 3.48Å; T109-C111 VanDerWaalsContact C-N 3.34Å
112Q83.9Confident89.3Confident149 Ų14950.6 Ų50.670%0.69629%0.293SS*.SBendtrans-74.1-33.9176.6-64.6-175.13.600112.5
113L80.9Confident89.2Confident85 Ų8549 Ų4945%0.44529%0.286SS..SBendtrans-96.4138.2178.5-70169.8000110P76P76-L113 HydrophobicContact CG-CB 4.17Å; P76-L113 WeakPolarHBondContact CG-O 3Å; P76-L113 VanDerWaalsContact O-CD1 3.3Å; P76-L113 WeakPolarHBondContact O-CD1 3.18Å
114S79.4Confident89.1Confident122 Ų12248.7 Ų48.785%0.85329%0.287SS*.  trans-72.1135.4169.6560000109.8
115G83Confident89.2Confident46 Ų4647.4 Ų47.447%0.47428%0.275SS..SBendtrans162.7-159.6177.800000111A108A108-G115 WeakPolarHBondContact CB-O 3.26Å
116E89.1Confident89.3Confident119 Ų11946.2 Ų46.256%0.55627%0.269SS*.EExtended strand (participates in β ladder)trans-101.5137.1175-67.2175.7156.500108.8H105H105-E116 IonicContact CE1-OE2 3.78Å; H105-E116 PolarHBondContact CE1-OE2 3.16Å; H105-E116 IonicContact CG-OE2 3.24Å; H105-E116 IonicContact ND1-OE1 2.74Å; H105-E116 PolarHBondContact ND1-OE1 2.9Å; H105-E116 IonicContact ND1-OE2 3.13Å; H105-E116 PolarHBondContact ND1-OE2 3.24Å
117A89.3Confident89.4Confident0 Ų045.4 Ų45.40%027%0.266CS..EExtended strand (participates in β ladder)trans-98.8156.717200000109.9D74 Q106 A108D74-A117 VanDerWaalsContact O-CA 3.29Å; D74-A117 WeakPolarHBondContact O-CA 3.17Å; D74-A117 WeakPolarHBondContact O-CB 3.36Å; Q106-A117 WeakPolarHBondContact CA-O 3.5Å; Q106-A117 HydrophobicContact CB-CB 4.46Å; Q106-A117 VanDerWaalsContact CB-O 3.28Å; Q106-A117 WeakPolarHBondContact CB-O 3.46Å; Q106-A117 PolarHBondContact N-O 2.81Å; Q106-A117 PolarHBondContact O-N 3.33Å; A108-A117 HydrophobicContact CB-CB 4.16Å
118D92.1Very high89.3Confident39 Ų3943.9 Ų43.921%0.20926%0.255CS..EExtended strand (participates in β ladder)trans-115.8138.7176.5-78.1-8.9000110.1C73 D74 C82 Y102 A104C73-D118 WeakPolarHBondContact CA-O 3.26Å; D74-D118 PolarHBondContact N-O 2.9Å; D74-D118 PolarHBondContact O-N 2.88Å; D74-D118 VanDerWaalsContact O-N 3.13Å; C82-D118 HydrophobicContact CB-CB 4.44Å; Y102-D118 HydrophobicContact CE2-CB 3.9Å; Y102-D118 VanDerWaalsContact OH-CG 3.23Å; Y102-D118 PolarHBondContact OH-OD1 2.84Å; Y102-D118 PolarHBondContact OH-OD2 2.8Å; A104-D118 WeakPolarHBondContact CA-OD1 3.38Å
119L93.1Very high89.3Confident1 Ų148.7 Ų48.71%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-113.2133.5174-92.186.4000112.3C71 I72 C73 Y102 H103 Q106 L257 T259 Y267C71-L119 HydrophobicContact CB-CD2 4.44Å; I72-L119 WeakPolarHBondContact O-CA 3.37Å; C73-L119 HydrophobicContact CB-CD1 3.92Å; C73-L119 HydrophobicContact CB-CG 3.98Å; C73-L119 WeakPolarHBondContact SG-CD1 3.39Å; Y102-L119 CarbonylContact C-O 3.58Å; Y102-L119 WeakPolarHBondContact CA-O 3.34Å; H103-L119 HydrophobicContact CB-CB 4.15Å; H103-L119 PolarHBondContact N-O 3.21Å; H103-L119 PolarHBondContact O-N 2.75Å; Q106-L119 HydrophobicContact CB-CD1 3.77Å; Q106-L119 HydrophobicContact CG-CD1 3.67Å; L119-L257 HydrophobicContact CB-CD1 4.27Å; L119-L257 HydrophobicContact CD2-CB 4.5Å; L119-L257 HydrophobicContact CD2-CD1 4Å; L119-T259 HydrophobicContact CD1-CG2 4.45Å; L119-T259 WeakPolarHBondContact CD1-OG1 3.2Å; L119-Y267 HydrophobicContact CD2-CG 4.49Å
120C94Very high89.3Confident0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-124.3130.3175.8-77.90000109.6C71 I72 C82 Y86 T101C71-C120 CarbonylContact C-O 3.52Å; C71-C120 VanDerWaalsContact CA-O 3.27Å; C71-C120 WeakPolarHBondContact CA-O 3.07Å; I72-C120 HydrophobicContact CD1-CB 4.25Å; I72-C120 HydrophobicContact CG1-CB 3.8Å; I72-C120 WeakPolarHBondContact CG1-O 3.49Å; I72-C120 PolarHBondContact N-O 3.17Å; I72-C120 PolarHBondContact O-N 2.9Å; C82-C120 WeakPolarHBondContact CA-SG 3.28Å; C82-C120 HydrophobicContact CB-CB 3.7Å; C82-C120 WeakPolarHBondContact CB-SG 3.3Å; C82-C120 VanDerWaalsContact SG-CA 3.56Å; C82-C120 WeakPolarHBondContact SG-CB 3.35Å; C82-C120 PolarHBondContact SG-N 2.88Å; C82-C120 CovalentContact SG-SG 2.03Å; C82-C120 PolarHBondContact SG-SG 2.93Å; Y86-C120 VanDerWaalsContact CB-SG 3.56Å; Y86-C120 HydrophobicContact CD1-CB 3.58Å; Y86-C120 HydrophobicContact CD2-CB 4.13Å; Y86-C120 HydrophobicContact CE1-CB 3.68Å; Y86-C120 HydrophobicContact CE2-CB 4.2Å; Y86-C120 HydrophobicContact CG-CB 3.83Å; Y86-C120 VanDerWaalsContact CG-SG 3.52Å; T101-C120 CarbonylContact O-C 3.52Å; T101-C120 WeakPolarHBondContact O-CA 3.35Å
121C94.1Very high89.6Confident0 Ų051.8 Ų51.80%027%0.272CS..EExtended strand (participates in β ladder)trans-133.2141.9-177.3-47.70000113.8D70 C71 Y86 R100 T101 L257D70-C121 CarbonylContact O-C 3.59Å; D70-C121 VanDerWaalsContact O-CA 3.23Å; D70-C121 WeakPolarHBondContact O-CA 3.28Å; C71-C121 HydrophobicContact CB-CB 3.93Å; C71-C121 WeakPolarHBondContact CB-SG 3.44Å; C71-C121 WeakPolarHBondContact SG-CB 3.22Å; C71-C121 CovalentContact SG-SG 2.02Å; C71-C121 PolarHBondContact SG-SG 3.03Å; Y86-C121 WeakPolarHBondContact CE1-O 3.46Å; R100-C121 CarbonylContact C-O 3.55Å; R100-C121 VanDerWaalsContact CA-O 3.29Å; R100-C121 WeakPolarHBondContact CA-O 3.14Å; T101-C121 PolarHBondContact N-O 2.81Å; T101-C121 PolarHBondContact O-N 2.81Å; C121-L257 WeakPolarHBondContact SG-CD1 3.21Å
122E93.3Very high89.9Confident55 Ų5555.9 Ų55.926%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-92.6108.2163.8-56.3-155.1150.300109.4S69 D70 Y86 C91 R100S69-E122 WeakPolarHBondContact CA-O 3.46Å; D70-E122 PolarHBondContact N-O 3.43Å; D70-E122 PolarHBondContact O-N 2.95Å; Y86-E122 WeakPolarHBondContact OH-CG 3.45Å; C91-E122 HydrophobicContact CB-CG 4.33Å; R100-E122 HydrophobicContact CG-CG 4.22Å; R100-E122 IonicContact CZ-OE1 2.84Å; R100-E122 VanDerWaalsContact CZ-OE1 3.25Å; R100-E122 IonicContact NE-OE1 3.27Å; R100-E122 PolarHBondContact NE-OE1 3.08Å; R100-E122 IonicContact NH2-OE1 3.95Å; R100-E122 PolarHBondContact NH2-OE1 2.91Å
123V93.3Very high90.4Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-92.9114.1176-176.50000108.7L67 C98 V99 T101 I251 Y271L67-V123 HydrophobicContact CD2-CG1 4.21Å; C98-V123 WeakPolarHBondContact CA-O 3.27Å; V99-V123 HydrophobicContact CG2-CB 4.33Å; V99-V123 PolarHBondContact N-O 2.84Å; V99-V123 PolarHBondContact O-N 2.8Å; T101-V123 HydrophobicContact CG2-CG2 4.06Å; V123-I251 HydrophobicContact CB-CG2 3.88Å; V123-I251 HydrophobicContact CG1-CG2 3.83Å; V123-I251 HydrophobicContact CG2-CG2 3.98Å; V123-Y271 HydrophobicContact CG1-CE1 3.95Å
124T92.8Very high91.1Very high22 Ų2245.4 Ų45.414%0.13523%0.234CC..EExtended strand (participates in β ladder)trans-103.3133.6177.9-62.60000110.5S68 A96 K126S68-T124 PolarHBondContact N-O 3.45Å; S68-T124 VanDerWaalsContact N-O 3.09Å; S68-T124 PolarHBondContact O-N 3.06Å; S68-T124 PolarHBondContact OG-O 2.77Å; A96-T124 HydrophobicContact CB-CG2 3.49Å; A96-T124 VanDerWaalsContact CB-CG2 3.49Å; T124-K126 HydrophobicContact CG2-CD 4.44Å; T124-K126 HydrophobicContact CG2-CG 4.21Å
125V93.4Very high91.9Very high0 Ų039.6 Ų39.60%019%0.193CC..EExtended strand (participates in β ladder)trans-122.5119.8179.9-161.50000109.8P65 Q66 L67 F97 F233 I244P65-V125 HydrophobicContact CB-CG1 3.46Å; P65-V125 VanDerWaalsContact CB-CG1 3.46Å; Q66-V125 WeakPolarHBondContact O-CA 3.36Å; L67-V125 HydrophobicContact CD2-CB 4.17Å; L67-V125 HydrophobicContact CD2-CG1 3.89Å; L67-V125 HydrophobicContact CD2-CG2 3.53Å; F97-V125 HydrophobicContact CB-CB 4.25Å; F97-V125 HydrophobicContact CD1-CB 4.41Å; F97-V125 HydrophobicContact CD1-CG2 3.89Å; F97-V125 PolarHBondContact N-O 3.01Å; F97-V125 PolarHBondContact O-N 3.31Å; V125-F233 HydrophobicContact CB-CE2 4.24Å; V125-F233 HydrophobicContact CG1-CD2 4.13Å; V125-F233 HydrophobicContact CG1-CE2 3.91Å; V125-F233 HydrophobicContact CG1-CG 4.47Å; V125-F233 HydrophobicContact CG1-CZ 4.11Å; V125-I244 HydrophobicContact CB-CD1 4.39Å; V125-I244 HydrophobicContact CG1-CD1 4.31Å; V125-I244 HydrophobicContact CG2-CD1 3.96Å
126K92.5Very high92.4Very high105 Ų10537.4 Ų37.446%0.45717%0.171SC..EExtended strand (participates in β ladder)trans-125.3154.3179.5-70.8177.2-178.6174.30110.7Q66 A96 T124 L128Q66-K126 WeakPolarHBondContact CB-O 3.29Å; Q66-K126 PolarHBondContact N-O 3.28Å; Q66-K126 PolarHBondContact O-N 2.56Å; A96-K126 HydrophobicContact CB-CD 4.26Å; A96-K126 HydrophobicContact CB-CG 3.54Å; T124-K126 HydrophobicContact CG2-CD 4.44Å; T124-K126 HydrophobicContact CG2-CG 4.21Å; K126-L128 PolarHBondContact O-N 3.12Å
127P92.5Very high92.8Very high10 Ų1033 Ų337%0.06515%0.149CC..EExtended strand (participates in β ladder)trans-68.3127.2171.930.4-37.2000110.6R129 N130 F233 W242P127-R129 PolarHBondContact O-N 3.44Å; P127-N130 PolarHBondContact O-N 3.27Å; P127-F233 HydrophobicContact CB-CE1 4.2Å; P127-W242 HydrophobicContact CB-CZ2 3.91Å; P127-W242 HydrophobicContact CG-CZ2 4.19Å
128L89.9Confident93.1Very high22 Ų2233 Ų3312%0.11515%0.149CC..G310 helixtrans-56.1122.4173.5-179.365.8000109.6I64 Q66 K126 N130 W131 A277I64-L128 HydrophobicContact CB-CB 4.16Å; I64-L128 HydrophobicContact CB-CD2 4.48Å; I64-L128 HydrophobicContact CG2-CB 4.29Å; I64-L128 HydrophobicContact CG2-CD2 4.06Å; I64-L128 WeakPolarHBondContact O-CB 3.39Å; I64-L128 PolarHBondContact O-N 2.85Å; Q66-L128 HydrophobicContact CB-CB 4.49Å; K126-L128 PolarHBondContact O-N 3.12Å; L128-N130 PolarHBondContact O-N 3.18Å; L128-W131 HydrophobicContact CD2-CZ3 4.4Å; L128-W131 WeakPolarHBondContact O-CB 3.22Å; L128-W131 PolarHBondContact O-N 2.82Å; L128-A277 HydrophobicContact CD1-CB 3.8Å; L128-A277 HydrophobicContact CD2-CB 3.97Å; L128-A277 HydrophobicContact CG-CB 4.37Å
129R87.6Confident93.3Very high121 Ų12131.2 Ų31.246%0.45714%0.139SC..G310 helixtrans53.323.7179.2-60.8172.6174.2-177.4-6113.9P127 W131 D288P127-R129 PolarHBondContact O-N 3.44Å; R129-W131 HydrophobicContact CB-CD2 4.14Å; R129-W131 HydrophobicContact CB-CG 4.16Å; R129-W131 HydrophobicContact CB-CZ2 4.49Å; R129-W131 VanDerWaalsContact CD-CZ2 3.47Å; R129-W131 PolarHBondContact O-N 3.08Å; R129-W131 VanDerWaalsContact O-N 3.16Å; R129-D288 IonicContact NH2-OD1 3.9Å
130N89.1Confident93.3Very high131 Ų13137.5 Ų37.570%0.70117%0.169SC*.G310 helixtrans55.222.9-171.7-63.6-37.1000114.5P127 L128P127-N130 PolarHBondContact O-N 3.27Å; L128-N130 PolarHBondContact O-N 3.18Å
131W91.5Very high93.3Very high40 Ų4038.3 Ų38.315%0.15217%0.174CC..  trans-66.3141.6178.6-69.4-11.6000111.9L128 R129 F133 E290 L294L128-W131 HydrophobicContact CD2-CZ3 4.4Å; L128-W131 WeakPolarHBondContact O-CB 3.22Å; L128-W131 PolarHBondContact O-N 2.82Å; R129-W131 HydrophobicContact CB-CD2 4.14Å; R129-W131 HydrophobicContact CB-CG 4.16Å; R129-W131 HydrophobicContact CB-CZ2 4.49Å; R129-W131 VanDerWaalsContact CD-CZ2 3.47Å; R129-W131 PolarHBondContact O-N 3.08Å; R129-W131 VanDerWaalsContact O-N 3.16Å; W131-F133 HydrophobicContact CB-CD2 4.46Å; W131-F133 HydrophobicContact CB-CE2 3.65Å; W131-F133 HydrophobicContact CB-CZ 4.14Å; W131-F133 HydrophobicContact CD2-CZ 4.41Å; W131-F133 HydrophobicContact CE3-CE2 4.2Å; W131-F133 AromaticContact CE3-CZ 3.96Å; W131-F133 HydrophobicContact CE3-CZ 3.96Å; W131-F133 HydrophobicContact CG-CE2 4.48Å; W131-E290 HydrophobicContact CH2-CG 4.13Å; W131-E290 WeakPolarHBondContact CH2-OE1 3.24Å; W131-L294 HydrophobicContact CE3-CD1 4.33Å; W131-L294 HydrophobicContact CZ3-CD1 3.93Å
132R93.4Very high93.2Very high106 Ų10641.4 Ų41.440%0.419%0.19SC..  trans-124.8137.2175.4-66-176.8179.2-170.5-3.1108.8I61 T206 W242I61-R132 HydrophobicContact CG2-CB 4.45Å; R132-T206 PolarHBondContact O-N 2.78Å; R132-T206 PolarHBondContact O-OG1 3.2Å; R132-W242 HydrophobicContact CG-CH2 4.14Å; R132-W242 HydrophobicContact CG-CZ2 3.97Å
133F95.1Very high93.2Very high4 Ų439.5 Ų39.52%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-129.6140.2178.9-62.3-89000109.7I61 F62 I64 W131 F203 Y204 K205 L294I61-F133 CarbonylContact C-O 3.55Å; I61-F133 WeakPolarHBondContact CA-O 3.23Å; F62-F133 HydrophobicContact CD1-CB 3.91Å; F62-F133 WeakPolarHBondContact CD1-O 3.48Å; F62-F133 HydrophobicContact CD2-CB 4.4Å; F62-F133 HydrophobicContact CE1-CB 3.39Å; F62-F133 HydrophobicContact CE1-CG 4.45Å; F62-F133 HydrophobicContact CE2-CB 3.96Å; F62-F133 HydrophobicContact CE2-CD2 4.28Å; F62-F133 HydrophobicContact CE2-CG 4.29Å; F62-F133 HydrophobicContact CG-CB 4.38Å; F62-F133 HydrophobicContact CZ-CB 3.42Å; F62-F133 VanDerWaalsContact CZ-CB 3.42Å; F62-F133 HydrophobicContact CZ-CD2 4.46Å; F62-F133 HydrophobicContact CZ-CG 4.01Å; F62-F133 PolarHBondContact N-O 2.88Å; F62-F133 PolarHBondContact O-N 2.92Å; I64-F133 HydrophobicContact CG1-CD2 4.33Å; I64-F133 HydrophobicContact CG1-CE2 3.78Å; W131-F133 HydrophobicContact CB-CD2 4.46Å; W131-F133 HydrophobicContact CB-CE2 3.65Å; W131-F133 HydrophobicContact CB-CZ 4.14Å; W131-F133 HydrophobicContact CD2-CZ 4.41Å; W131-F133 HydrophobicContact CE3-CE2 4.2Å; W131-F133 AromaticContact CE3-CZ 3.96Å; W131-F133 HydrophobicContact CE3-CZ 3.96Å; W131-F133 HydrophobicContact CG-CE2 4.48Å; F133-F203 HydrophobicContact CB-CD2 4.25Å; F133-F203 AromaticContact CD1-CD2 3.73Å; F133-F203 HydrophobicContact CD1-CD2 3.73Å; F133-F203 AromaticContact CD1-CE2 3.93Å; F133-F203 HydrophobicContact CD1-CE2 3.93Å; F133-F203 HydrophobicContact CE1-CD2 4.45Å; F133-F203 HydrophobicContact CE1-CE2 4.21Å; F133-F203 HydrophobicContact CG-CD2 4.23Å; F133-Y204 CarbonylContact C-O 3.57Å; F133-Y204 WeakPolarHBondContact CA-O 3.39Å; F133-K205 HydrophobicContact CD1-CB 3.79Å; F133-K205 HydrophobicContact CD1-CG 4.23Å; F133-K205 HydrophobicContact CE1-CB 3.66Å; F133-K205 HydrophobicContact CE1-CD 4.3Å; F133-K205 HydrophobicContact CE1-CG 3.91Å; F133-K205 HydrophobicContact CZ-CG 4.38Å; F133-L294 HydrophobicContact CE1-CD1 4.32Å; F133-L294 HydrophobicContact CZ-CD1 3.79Å
134D94.1Very high93.2Very high11 Ų1140.2 Ų40.26%0.05919%0.186CC..EExtended strand (participates in β ladder)trans-96.2115.6171-78.5-69.5000108.5Q59 I61 F203 Y204 T206Q59-D134 PolarHBondContact NE2-OD1 2.79Å; Q59-D134 VanDerWaalsContact NE2-OD1 3.17Å; I61-D134 WeakPolarHBondContact CG1-OD1 3.32Å; D134-F203 CarbonylContact O-C 3.52Å; D134-F203 WeakPolarHBondContact O-CA 3.36Å; D134-F203 WeakPolarHBondContact O-CB 2.98Å; D134-Y204 HydrophobicContact CB-CD1 4.21Å; D134-Y204 HydrophobicContact CB-CD2 4.25Å; D134-Y204 HydrophobicContact CB-CE1 3.65Å; D134-Y204 HydrophobicContact CB-CE2 3.7Å; D134-Y204 HydrophobicContact CB-CG 4.48Å; D134-Y204 PolarHBondContact N-O 2.81Å; D134-Y204 PolarHBondContact O-N 2.86Å; D134-T206 PolarHBondContact OD2-OG1 2.85Å
135A95.9Very high93.2Very high0 Ų039.2 Ų39.20%018%0.179CC..EExtended strand (participates in β ladder)trans-87.5129.4168.700000109Q59 Y60 F62 M201 Y202 I219Q59-A135 VanDerWaalsContact CA-O 3.24Å; Q59-A135 WeakPolarHBondContact CA-O 3.47Å; Y60-A135 HydrophobicContact CD1-CB 4.02Å; Y60-A135 HydrophobicContact CD2-CB 4.22Å; Y60-A135 HydrophobicContact CE1-CB 3.59Å; Y60-A135 HydrophobicContact CE2-CB 3.8Å; Y60-A135 HydrophobicContact CG-CB 4.32Å; Y60-A135 VanDerWaalsContact CZ-CB 3.47Å; Y60-A135 PolarHBondContact N-O 2.78Å; Y60-A135 VanDerWaalsContact N-O 3.08Å; Y60-A135 PolarHBondContact O-N 2.91Å; F62-A135 HydrophobicContact CD1-CB 3.79Å; F62-A135 HydrophobicContact CE1-CB 3.75Å; A135-M201 HydrophobicContact CB-CE 3.74Å; A135-Y202 CarbonylContact C-O 3.55Å; A135-Y202 WeakPolarHBondContact CA-O 3.46Å; A135-I219 HydrophobicContact CB-CG2 4.37Å
136V95.4Very high93.2Very high0 Ų041.5 Ų41.50%019%0.188CC..EExtended strand (participates in β ladder)trans-129.6135.6-178.2-670000111.1I56 E58 Q59 L138 M201 Y202 Y204 L213I56-V136 HydrophobicContact CD1-CG1 4.24Å; I56-V136 HydrophobicContact CG1-CB 4.45Å; I56-V136 HydrophobicContact CG2-CB 4Å; I56-V136 HydrophobicContact CG2-CG1 3.94Å; E58-V136 CarbonylContact O-C 3.51Å; E58-V136 WeakPolarHBondContact O-CA 3.46Å; Q59-V136 HydrophobicContact CB-CG1 4.45Å; Q59-V136 HydrophobicContact CG-CG1 4.1Å; V136-L138 HydrophobicContact CG2-CD2 4.06Å; V136-M201 WeakPolarHBondContact O-CA 3.24Å; V136-Y202 PolarHBondContact N-O 3.43Å; V136-Y202 PolarHBondContact O-N 2.8Å; V136-Y204 HydrophobicContact CG1-CE1 3.95Å; V136-Y204 HydrophobicContact CG2-CE1 4.39Å; V136-L213 HydrophobicContact CG2-CD1 4.16Å
137Y96.3Very high93.2Very high26 Ų2636.5 Ų36.510%0.10217%0.166CC..EExtended strand (participates in β ladder)trans-92.7112.3168.7-171.6-88.9000109.8I56 R57 E58 E199 M201 R221I56-Y137 WeakPolarHBondContact CA-O 3.47Å; R57-Y137 HydrophobicContact CB-CD1 3.99Å; R57-Y137 HydrophobicContact CG-CD1 4.4Å; R57-Y137 PolarHBondContact N-O 3.34Å; E58-Y137 PolarHBondContact O-N 2.91Å; Y137-E199 HydrophobicContact CE1-CG 3.7Å; Y137-E199 VanDerWaalsContact OH-CG 3.27Å; Y137-E199 WeakPolarHBondContact OH-CG 3.5Å; Y137-M201 HydrophobicContact CD2-CG 4.17Å; Y137-M201 HydrophobicContact CD2-SD 3.73Å; Y137-M201 HydrophobicContact CG-SD 4.2Å; Y137-R221 PolarHBondContact OH-NH2 3.08Å
138L96.4Very high93.3Very high1 Ų139.4 Ų39.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-85.5117.9176.5-59.1-171000109.3Y54 I56 V136 L197 E199 S200 Y202 L213 V320Y54-L138 HydrophobicContact CD1-CB 3.99Å; Y54-L138 HydrophobicContact CD1-CD1 4.41Å; Y54-L138 HydrophobicContact CG-CB 4.48Å; Y54-L138 HydrophobicContact CG-CD1 4.39Å; I56-L138 HydrophobicContact CG1-CD2 4.07Å; V136-L138 HydrophobicContact CG2-CD2 4.06Å; L138-L197 HydrophobicContact CD1-CD1 4.32Å; L138-E199 VanDerWaalsContact O-CA 3.32Å; L138-E199 WeakPolarHBondContact O-CA 3.36Å; L138-E199 WeakPolarHBondContact O-CG 3.27Å; L138-S200 PolarHBondContact N-O 2.85Å; L138-S200 PolarHBondContact O-N 2.05Å; L138-Y202 HydrophobicContact CB-CD2 4.12Å; L138-Y202 HydrophobicContact CB-CE2 4.23Å; L138-Y202 HydrophobicContact CD1-CD2 3.65Å; L138-Y202 HydrophobicContact CD1-CE2 3.94Å; L138-Y202 HydrophobicContact CD1-CG 4.18Å; L138-Y202 HydrophobicContact CG-CD2 3.69Å; L138-Y202 HydrophobicContact CG-CE2 4.2Å; L138-Y202 HydrophobicContact CG-CG 4.46Å; L138-L213 HydrophobicContact CD1-CD2 3.81Å; L138-V320 HydrophobicContact CD2-CB 4.17Å; L138-V320 HydrophobicContact CD2-CG2 3.69Å
139G95.3Very high93.4Very high0 Ų038.3 Ų38.30%017%0.17CC..  trans-80.2-170.9173.700000112.8Y54 P55Y54-G139 WeakPolarHBondContact CD1-O 3.42Å; P55-G139 PolarHBondContact O-N 2.89Å
140Q93.2Very high93.5Very high134 Ų13434.8 Ų34.863%0.62616%0.157SC*.PPolyproline II helixtrans-61.5132.3175.4-171.117812.600112.2P55P55-Q140 WeakPolarHBondContact CD-O 2.97Å; P55-Q140 WeakPolarHBondContact CG-O 3.37Å
141P94.6Very high93.5Very high16 Ų1629.4 Ų29.410%0.10413%0.128CC..PPolyproline II helixtrans-80.4158.8-17732.7-36.4000113.6Q52 L53 Y54Q52-P141 HydrophobicContact CB-CB 3.99Å; Q52-P141 HydrophobicContact CG-CB 4.48Å; L53-P141 CarbonylContact O-C 3.53Å; L53-P141 VanDerWaalsContact O-CA 3.23Å; L53-P141 WeakPolarHBondContact O-CA 3.47Å; Y54-P141 HydrophobicContact CD1-CB 3.85Å; Y54-P141 HydrophobicContact CD1-CG 4.25Å; Y54-P141 HydrophobicContact CD2-CB 3.92Å; Y54-P141 HydrophobicContact CE1-CB 3.66Å; Y54-P141 HydrophobicContact CE1-CG 3.61Å; Y54-P141 HydrophobicContact CE2-CB 3.74Å; Y54-P141 HydrophobicContact CE2-CG 4.2Å; Y54-P141 HydrophobicContact CG-CB 3.95Å
142L92.4Very high93.3Very high65 Ų6528.9 Ų28.934%0.3413%0.128SC..EExtended strand (participates in β ladder)trans-91.4126158.1-171.866.5000109.2Q52 L53 I144 I170Q52-L142 CarbonylContact C-O 3.53Å; Q52-L142 WeakPolarHBondContact CA-O 3.44Å; L53-L142 HydrophobicContact CB-CB 4.35Å; L53-L142 PolarHBondContact N-O 2.82Å; L53-L142 PolarHBondContact O-N 2.92Å; L142-I144 HydrophobicContact CD2-CD1 4.13Å; L142-I144 HydrophobicContact CD2-CG1 4.26Å; L142-I144 HydrophobicContact CG-CG1 4.18Å; L142-I170 HydrophobicContact CD1-CB 4.46Å; L142-I170 HydrophobicContact CD1-CD1 4.12Å; L142-I170 HydrophobicContact CD1-CG1 4.14Å; L142-I170 HydrophobicContact CD1-CG2 3.52Å; L142-I170 HydrophobicContact CD2-CD1 4.07Å; L142-I170 HydrophobicContact CD2-CG1 4.11Å; L142-I170 HydrophobicContact CG-CG1 4.28Å; L142-I170 HydrophobicContact CG-CG2 4.3Å
143N92.5Very high93Very high15 Ų1524.1 Ų24.18%0.0811%0.111CC..EExtended strand (participates in β ladder)trans-90.1126.4176.7-57.5-66.9000109.7Q52 I170 T171 T172 A193Q52-N143 VanDerWaalsContact CG-OD1 3.28Å; Q52-N143 WeakPolarHBondContact CG-OD1 3.42Å; Q52-N143 PolarHBondContact NE2-OD1 2.88Å; N143-I170 WeakPolarHBondContact O-CA 3.42Å; N143-T171 WeakPolarHBondContact CB-OG1 3.36Å; N143-T171 PolarHBondContact O-N 3.42Å; N143-T171 VanDerWaalsContact O-N 3.08Å; N143-T172 HydrophobicContact CB-CG2 4.21Å; N143-T172 VanDerWaalsContact ND2-CG2 3.26Å; N143-T172 WeakPolarHBondContact ND2-CG2 3.27Å; N143-A193 WeakPolarHBondContact OD1-CB 3.28Å
144I93Very high92.4Very high16 Ų1628.3 Ų28.38%0.08213%0.129CC..EExtended strand (participates in β ladder)trans-127.6128.4-176.1-57.2178000109.3H51 L53 L142 E168 A169H51-I144 VanDerWaalsContact CE1-CG2 3.46Å; H51-I144 WeakPolarHBondContact CE1-CG2 3.34Å; H51-I144 PolarHBondContact N-O 2.91Å; H51-I144 PolarHBondContact O-N 2.8Å; L53-I144 HydrophobicContact CD1-CD1 3.43Å; L53-I144 VanDerWaalsContact CD1-CD1 3.43Å; L53-I144 HydrophobicContact CG-CD1 3.89Å; L142-I144 HydrophobicContact CD2-CD1 4.13Å; L142-I144 HydrophobicContact CD2-CG1 4.26Å; L142-I144 HydrophobicContact CG-CG1 4.18Å; I144-E168 HydrophobicContact CG2-CB 3.91Å; I144-E168 HydrophobicContact CG2-CG 4.27Å; I144-A169 WeakPolarHBondContact CA-O 3.11Å
145A92.6Very high91.7Very high0 Ų034 Ų340%015%0.15CC..EExtended strand (participates in β ladder)trans-106.1131.1169.100000109.2Y47 F147 E168 A169 T171 I330Y47-A145 HydrophobicContact CD2-CB 4.38Å; Y47-A145 HydrophobicContact CE2-CB 3.5Å; A145-F147 HydrophobicContact CB-CD2 4.42Å; A145-F147 HydrophobicContact CB-CE2 3.5Å; A145-F147 HydrophobicContact CB-CZ 3.82Å; A145-E168 CarbonylContact O-C 3.56Å; A145-E168 WeakPolarHBondContact O-CA 3.32Å; A145-A169 PolarHBondContact N-O 3.41Å; A145-A169 PolarHBondContact O-N 2.88Å; A145-T171 HydrophobicContact CB-CG2 3.39Å; A145-I330 HydrophobicContact CB-CD1 3.46Å; A145-I330 VanDerWaalsContact CB-CD1 3.46Å
146R93.8Very high90.8Very high48 Ų4842.7 Ų42.718%0.18119%0.19CC..EExtended strand (participates in β ladder)trans-105.2131.5175.2-179.9-178.2-66.7-179.70.9109.3E48 K49 Q166 E168E48-R146 PolarHBondContact N-O 2.9Å; E48-R146 WeakPolarHBondContact OE2-CD 3.35Å; K49-R146 HydrophobicContact CB-CB 4.21Å; K49-R146 PolarHBondContact N-O 2.79Å; K49-R146 PolarHBondContact O-N 3.48Å; R146-Q166 VanDerWaalsContact CD-CD 3.48Å; R146-Q166 HydrophobicContact CG-CG 3.81Å; R146-E168 HydrophobicContact CB-CG 4.1Å; R146-E168 HydrophobicContact CG-CG 4.13Å; R146-E168 IonicContact CZ-OE1 3.76Å; R146-E168 IonicContact NE-OE1 3.46Å; R146-E168 PolarHBondContact NE-OE1 2.77Å; R146-E168 IonicContact NH2-OE1 3.84Å; R146-E168 PolarHBondContact NH2-OE1 3.2Å
147F93.4Very high90Very high0 Ų050.7 Ų50.70%023%0.227CC..EExtended strand (participates in β ladder)trans-121.1150.2178.2-59.7-91.5000110.3I45 H46 Y47 A145 Q166 F167 A169 L188 I330 L332I45-F147 HydrophobicContact CG2-CB 4.49Å; I45-F147 HydrophobicContact CG2-CD1 4.1Å; H46-F147 CarbonylContact O-C 3.5Å; H46-F147 WeakPolarHBondContact O-CA 3.46Å; Y47-F147 HydrophobicContact CD1-CE1 4.48Å; Y47-F147 HydrophobicContact CD2-CD1 4.17Å; Y47-F147 AromaticContact CD2-CE1 3.79Å; Y47-F147 HydrophobicContact CD2-CE1 3.79Å; Y47-F147 HydrophobicContact CD2-CZ 4.08Å; Y47-F147 HydrophobicContact CE2-CZ 4.38Å; Y47-F147 HydrophobicContact CG-CD1 4.3Å; Y47-F147 AromaticContact CG-CE1 3.78Å; Y47-F147 HydrophobicContact CG-CE1 3.78Å; Y47-F147 HydrophobicContact CG-CZ 4.37Å; A145-F147 HydrophobicContact CB-CD2 4.42Å; A145-F147 HydrophobicContact CB-CE2 3.5Å; A145-F147 HydrophobicContact CB-CZ 3.82Å; F147-Q166 WeakPolarHBondContact O-CA 3.34Å; F147-Q166 WeakPolarHBondContact O-CG 3.41Å; F147-F167 HydrophobicContact CB-CD1 4.12Å; F147-F167 HydrophobicContact CB-CD2 3.99Å; F147-F167 HydrophobicContact CB-CE1 3.63Å; F147-F167 HydrophobicContact CB-CE2 3.51Å; F147-F167 HydrophobicContact CB-CG 4.3Å; F147-F167 HydrophobicContact CB-CZ 3.31Å; F147-F167 AromaticContact CD2-CD2 3.93Å; F147-F167 HydrophobicContact CD2-CD2 3.93Å; F147-F167 AromaticContact CD2-CE2 3.42Å; F147-F167 HydrophobicContact CD2-CE2 3.42Å; F147-F167 VanDerWaalsContact CD2-CE2 3.42Å; F147-F167 HydrophobicContact CD2-CZ 4.05Å; F147-F167 HydrophobicContact CE2-CE2 4.32Å; F147-F167 HydrophobicContact CG-CD2 4.33Å; F147-F167 AromaticContact CG-CE2 3.61Å; F147-F167 HydrophobicContact CG-CE2 3.61Å; F147-F167 AromaticContact CG-CZ 3.73Å; F147-F167 HydrophobicContact CG-CZ 3.73Å; F147-F167 PolarHBondContact N-O 3.17Å; F147-F167 PolarHBondContact O-N 3.26Å; F147-A169 HydrophobicContact CE2-CB 4.31Å; F147-L188 HydrophobicContact CE2-CD2 3.75Å; F147-L188 HydrophobicContact CZ-CD2 3.96Å; F147-I330 HydrophobicContact CZ-CD1 3.79Å; F147-I330 HydrophobicContact CZ-CG2 4.2Å; F147-L332 HydrophobicContact CE1-CD1 4.27Å; F147-L332 HydrophobicContact CE1-CD2 4.39Å; F147-L332 HydrophobicContact CZ-CD2 4.28Å
148R93.5Very high89.3Confident71 Ų7155.1 Ų55.127%0.26825%0.253SS..EExtended strand (participates in β ladder)trans-115.7130.2166.2-67.9-170.6-174.6-169.515.4109.8H46 E48 Y150 E164 E165 Q166H46-R148 HydrophobicContact CB-CB 4.45Å; H46-R148 PolarHBondContact N-O 2.86Å; H46-R148 PolarHBondContact O-N 2.94Å; E48-R148 HydrophobicContact CB-CG 4.36Å; E48-R148 HydrophobicContact CG-CG 4.5Å; E48-R148 IonicContact OE1-CZ 2.7Å; E48-R148 IonicContact OE1-NE 3.62Å; E48-R148 PolarHBondContact OE1-NE 2.84Å; E48-R148 IonicContact OE1-NH2 3.03Å; E48-R148 PolarHBondContact OE1-NH2 2.67Å; E48-R148 WeakPolarHBondContact OE2-CG 3.29Å; E48-R148 IonicContact OE2-CZ 3.91Å; E48-R148 IonicContact OE2-NE 3.19Å; E48-R148 PolarHBondContact OE2-NE 3.01Å; E48-R148 IonicContact OE2-NH2 2.71Å; R148-Y150 HydrophobicContact CB-CE2 3.79Å; R148-Y150 WeakPolarHBondContact CD-OH 3.32Å; R148-E164 IonicContact CZ-OE1 2.78Å; R148-E164 IonicContact NH1-OE1 3.2Å; R148-E164 PolarHBondContact NH1-OE1 2.79Å; R148-E165 CarbonylContact C-O 3.53Å; R148-E165 WeakPolarHBondContact CA-O 3.36Å; R148-Q166 HydrophobicContact CG-CG 4.23Å
149Y91.5Very high88.7Confident0 Ų060.3 Ų60.30%027%0.272CS..EExtended strand (participates in β ladder)trans-104.6131.7174.5170.4-107.9000109.5H43 A44 I45 M151 E164 E165 L179 N182 I184H43-Y149 HydrophobicContact CB-CE2 4.18Å; H43-Y149 PolarHBondContact CE1-OH 2.87Å; H43-Y149 AromaticContact ND1-CE2 3.95Å; H43-Y149 AromaticContact ND1-CZ 3.7Å; H43-Y149 PolarHBondContact ND1-OH 2.94Å; A44-Y149 CarbonylContact O-C 3.56Å; A44-Y149 WeakPolarHBondContact O-CA 3.44Å; I45-Y149 HydrophobicContact CG1-CD2 3.96Å; Y149-M151 HydrophobicContact CE1-CG 3.71Å; Y149-M151 HydrophobicContact CE1-SD 4.38Å; Y149-M151 WeakPolarHBondContact OH-CG 3.49Å; Y149-E164 CarbonylContact O-C 3.5Å; Y149-E164 WeakPolarHBondContact O-CA 3.48Å; Y149-E165 HydrophobicContact CD1-CB 4.31Å; Y149-E165 PolarHBondContact N-O 2.96Å; Y149-E165 PolarHBondContact O-N 2.91Å; Y149-L179 HydrophobicContact CD1-CD1 4.33Å; Y149-L179 HydrophobicContact CD2-CD1 3.75Å; Y149-L179 HydrophobicContact CE2-CD1 3.94Å; Y149-L179 HydrophobicContact CG-CD1 3.92Å; Y149-N182 PolarHBondContact OH-ND2 2.74Å; Y149-I184 HydrophobicContact CE2-CD1 4.49Å
150Y90.5Very high88.3Confident47 Ų4764.4 Ų64.418%0.18429%0.292CS..EExtended strand (participates in β ladder)trans-121.7144.7175.5-52.1-86.2000110.8H43 A44 H46 R148 I161 K163 E164H43-Y150 WeakPolarHBondContact CA-O 3.43Å; A44-Y150 HydrophobicContact CB-CD2 4.32Å; A44-Y150 PolarHBondContact N-O 3.27Å; A44-Y150 PolarHBondContact O-N 2.94Å; H46-Y150 HydrophobicContact CB-CE2 4.03Å; R148-Y150 HydrophobicContact CB-CE2 3.79Å; R148-Y150 WeakPolarHBondContact CD-OH 3.32Å; Y150-I161 HydrophobicContact CD1-CD1 4.25Å; Y150-I161 HydrophobicContact CD1-CG2 4.29Å; Y150-K163 CarbonylContact C-O 3.59Å; Y150-K163 VanDerWaalsContact CA-O 3.31Å; Y150-K163 WeakPolarHBondContact CA-O 3.07Å; Y150-E164 HydrophobicContact CD1-CB 4.14Å; Y150-E164 HydrophobicContact CD1-CG 3.91Å; Y150-E164 HydrophobicContact CE1-CB 4.32Å; Y150-E164 HydrophobicContact CE1-CG 3.64Å
151M88.5Confident88.1Confident17 Ų1762.8 Ų62.88%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-113.4129.3160.4-64177.577.500108.9I41 Y149 I161 I162 K163 N182I41-M151 HydrophobicContact CG2-CE 3.8Å; Y149-M151 HydrophobicContact CE1-CG 3.71Å; Y149-M151 HydrophobicContact CE1-SD 4.38Å; Y149-M151 WeakPolarHBondContact OH-CG 3.49Å; M151-I161 CarbonylContact O-C 3.57Å; M151-I161 WeakPolarHBondContact O-CA 3.08Å; M151-I162 HydrophobicContact CB-CB 4.26Å; M151-I162 PolarHBondContact O-N 2.91Å; M151-K163 HydrophobicContact CB-CB 3.97Å; M151-K163 HydrophobicContact CG-CB 3.99Å; M151-K163 PolarHBondContact N-O 3.17Å; M151-K163 PolarHBondContact O-N 2.63Å; M151-K163 HydrophobicContact SD-CB 3.77Å; M151-K163 HydrophobicContact SD-CD 4Å; M151-K163 HydrophobicContact SD-CG 4.5Å; M151-N182 WeakPolarHBondContact CE-ND2 3.39Å; M151-N182 PolarHBondContact SD-ND2 3.46Å
152L88.2Confident87.8Confident30 Ų3066.1 Ų66.116%0.15730%0.302CS..EExtended strand (participates in β ladder)trans-122.2127.5-175.3-65.4150.4000108.7I41 M42 A44 W159 E160 I161I41-L152 WeakPolarHBondContact CA-O 3.3Å; M42-L152 HydrophobicContact CB-CB 4.21Å; M42-L152 HydrophobicContact CG-CD1 4.49Å; M42-L152 PolarHBondContact N-O 3.11Å; M42-L152 PolarHBondContact O-N 3.26Å; M42-L152 HydrophobicContact SD-CD1 4.18Å; A44-L152 HydrophobicContact CB-CD1 4.32Å; L152-W159 HydrophobicContact CB-CE3 3.83Å; L152-W159 HydrophobicContact CB-CZ3 4.31Å; L152-W159 HydrophobicContact CD2-CB 4.43Å; L152-E160 CarbonylContact C-O 3.52Å; L152-E160 VanDerWaalsContact CA-O 3.31Å; L152-E160 WeakPolarHBondContact CA-O 3.4Å; L152-I161 HydrophobicContact CD2-CB 4.39Å; L152-I161 HydrophobicContact CD2-CG1 3.52Å
153S86.8Confident87.5Confident5 Ų565.5 Ų65.54%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-102.8138.4168.2175.90000108.6T39 E160 I162T39-S153 VanDerWaalsContact CB-OG 3.26Å; T39-S153 WeakPolarHBondContact CB-OG 3.35Å; T39-S153 PolarHBondContact OG1-OG 3.17Å; S153-E160 PolarHBondContact N-O 3.41Å; S153-E160 PolarHBondContact O-N 2.84Å; S153-I162 VanDerWaalsContact CB-CD1 3.44Å
154K82.9Confident87.4Confident92 Ų9269.8 Ų69.840%0.432%0.316SS..EExtended strand (participates in β ladder)trans-86.7112.6169.1-164.9177.4-178.1-179.10109.5W159K154-W159 HydrophobicContact CB-CD2 4.25Å; K154-W159 HydrophobicContact CB-CE3 3.87Å; K154-W159 HydrophobicContact CB-CH2 3.79Å; K154-W159 HydrophobicContact CB-CZ2 4.19Å; K154-W159 HydrophobicContact CB-CZ3 3.65Å; K154-W159 HydrophobicContact CD-CH2 4.27Å; K154-W159 HydrophobicContact CD-CZ2 3.98Å; K154-W159 HydrophobicContact CG-CD2 4.41Å; K154-W159 HydrophobicContact CG-CH2 4.39Å; K154-W159 HydrophobicContact CG-CZ2 4.3Å
155R80.2Confident87.3Confident130 Ų13071.1 Ų71.149%0.49132%0.322SS..EExtended strand (participates in β ladder)trans-109.8117.6170.3-70-169.2177.5165.3-11.5109.6H157 N158 E160R155-H157 PolarHBondContact O-N 2.87Å; R155-N158 PolarHBondContact N-O 2.86Å; R155-N158 PolarHBondContact O-N 3.3Å; R155-E160 WeakPolarHBondContact CD-OE2 3.24Å; R155-E160 IonicContact CZ-OE2 3.71Å; R155-E160 IonicContact NE-OE2 3.77Å; R155-E160 IonicContact NH1-OE2 3.02Å; R155-E160 PolarHBondContact NH1-OE2 3.39Å
156Q76.7Confident87.3Confident184 Ų18475.6 Ų75.686%0.8634%0.343SS*.THydrogen-bonded Turntrans56.3-98-173.7-55.3174.4-500111.8
157H78.1Confident87.1Confident167 Ų16774 Ų7477%0.77334%0.338SS*.THydrogen-bonded Turntrans-120.6-2.8-178.9-66-59.2000114.1R155R155-H157 PolarHBondContact O-N 2.87Å
158N81.7Confident87Confident119 Ų11978.1 Ų78.164%0.63636%0.357SS*.EExtended strand (participates in β ladder)trans-112.4146.6-178.2-67.1-24.4000111R155R155-N158 PolarHBondContact N-O 2.86Å; R155-N158 PolarHBondContact O-N 3.3Å
159W83.8Confident86.9Confident110 Ų11074.8 Ų74.842%0.41734%0.344SS..EExtended strand (participates in β ladder)trans-89.8127.5170.9-70.7102.6000109.1F16 M42 L152 K154F16-W159 HydrophobicContact CE1-CH2 4.2Å; F16-W159 AromaticContact CZ-CH2 3.81Å; F16-W159 HydrophobicContact CZ-CH2 3.81Å; M42-W159 HydrophobicContact CB-CH2 4.1Å; M42-W159 HydrophobicContact CB-CZ3 3.81Å; M42-W159 HydrophobicContact CE-CH2 3.69Å; M42-W159 HydrophobicContact CE-CZ2 3.72Å; M42-W159 HydrophobicContact CE-CZ3 4.34Å; L152-W159 HydrophobicContact CB-CE3 3.83Å; L152-W159 HydrophobicContact CB-CZ3 4.31Å; L152-W159 HydrophobicContact CD2-CB 4.43Å; K154-W159 HydrophobicContact CB-CD2 4.25Å; K154-W159 HydrophobicContact CB-CE3 3.87Å; K154-W159 HydrophobicContact CB-CH2 3.79Å; K154-W159 HydrophobicContact CB-CZ2 4.19Å; K154-W159 HydrophobicContact CB-CZ3 3.65Å; K154-W159 HydrophobicContact CD-CH2 4.27Å; K154-W159 HydrophobicContact CD-CZ2 3.98Å; K154-W159 HydrophobicContact CG-CD2 4.41Å; K154-W159 HydrophobicContact CG-CH2 4.39Å; K154-W159 HydrophobicContact CG-CZ2 4.3Å
160E87.6Confident86.9Confident87 Ų8776.8 Ų76.841%0.40736%0.355SS..EExtended strand (participates in β ladder)trans-112.7130.8175.3-68.6-179.5-176.200109.3L152 S153 R155 I162L152-E160 CarbonylContact C-O 3.52Å; L152-E160 VanDerWaalsContact CA-O 3.31Å; L152-E160 WeakPolarHBondContact CA-O 3.4Å; S153-E160 PolarHBondContact N-O 3.41Å; S153-E160 PolarHBondContact O-N 2.84Å; R155-E160 WeakPolarHBondContact CD-OE2 3.24Å; R155-E160 IonicContact CZ-OE2 3.71Å; R155-E160 IonicContact NE-OE2 3.77Å; R155-E160 IonicContact NH1-OE2 3.02Å; R155-E160 PolarHBondContact NH1-OE2 3.39Å; E160-I162 PolarHBondContact O-N 2.97Å
161I87.8Confident86.7Confident99 Ų9975.1 Ų75.151%0.50835%0.35SS..EExtended strand (participates in β ladder)trans-73.9115173.2-61.4168.8000108.1Y150 M151 L152 K163 E164Y150-I161 HydrophobicContact CD1-CD1 4.25Å; Y150-I161 HydrophobicContact CD1-CG2 4.29Å; M151-I161 CarbonylContact O-C 3.57Å; M151-I161 WeakPolarHBondContact O-CA 3.08Å; L152-I161 HydrophobicContact CD2-CB 4.39Å; L152-I161 HydrophobicContact CD2-CG1 3.52Å; I161-K163 WeakPolarHBondContact CG2-O 3.44Å; I161-E164 HydrophobicContact CG2-CB 4.35Å
162I88Confident86.4Confident86 Ų8677.3 Ų77.344%0.44136%0.364SS..EExtended strand (participates in β ladder)trans-84-39.3176.5-45.3171.4000110.4M151 S153 E160M151-I162 HydrophobicContact CB-CB 4.26Å; M151-I162 PolarHBondContact O-N 2.91Å; S153-I162 VanDerWaalsContact CB-CD1 3.44Å; E160-I162 PolarHBondContact O-N 2.97Å
163K86.3Confident86.2Confident52 Ų5282 Ų8223%0.22638%0.383CS..EExtended strand (participates in β ladder)trans-144.1138.2-176.9-164.1-174.3-173.3-154.10109.8Y150 M151 I161 E165 E180Y150-K163 CarbonylContact C-O 3.59Å; Y150-K163 VanDerWaalsContact CA-O 3.31Å; Y150-K163 WeakPolarHBondContact CA-O 3.07Å; M151-K163 HydrophobicContact CB-CB 3.97Å; M151-K163 HydrophobicContact CG-CB 3.99Å; M151-K163 PolarHBondContact N-O 3.17Å; M151-K163 PolarHBondContact O-N 2.63Å; M151-K163 HydrophobicContact SD-CB 3.77Å; M151-K163 HydrophobicContact SD-CD 4Å; M151-K163 HydrophobicContact SD-CG 4.5Å; I161-K163 WeakPolarHBondContact CG2-O 3.44Å; K163-E165 IonicContact NZ-OE2 3.8Å; K163-E165 PolarHBondContact NZ-OE2 3.1Å; K163-E180 PolarHBondContact NZ-O 3.13Å
164E90.8Very high86.1Confident105 Ų10586.5 Ų86.549%0.49141%0.412SS..EExtended strand (participates in β ladder)trans-128.1132.1167.9-179.2176.2-174.300108.1R148 Y149 Y150 I161R148-E164 IonicContact CZ-OE1 2.78Å; R148-E164 IonicContact NH1-OE1 3.2Å; R148-E164 PolarHBondContact NH1-OE1 2.79Å; Y149-E164 CarbonylContact O-C 3.5Å; Y149-E164 WeakPolarHBondContact O-CA 3.48Å; Y150-E164 HydrophobicContact CD1-CB 4.14Å; Y150-E164 HydrophobicContact CD1-CG 3.91Å; Y150-E164 HydrophobicContact CE1-CB 4.32Å; Y150-E164 HydrophobicContact CE1-CG 3.64Å; I161-E164 HydrophobicContact CG2-CB 4.35Å
165E90.8Very high86.2Confident44 Ų4484.9 Ų84.921%0.20641%0.406CS..EExtended strand (participates in β ladder)trans-140.6139.5177.9-172.2176.2160.300109.5R148 Y149 K163R148-E165 CarbonylContact C-O 3.53Å; R148-E165 WeakPolarHBondContact CA-O 3.36Å; Y149-E165 HydrophobicContact CD1-CB 4.31Å; Y149-E165 PolarHBondContact N-O 2.96Å; Y149-E165 PolarHBondContact O-N 2.91Å; K163-E165 IonicContact NZ-OE2 3.8Å; K163-E165 PolarHBondContact NZ-OE2 3.1Å
166Q92.1Very high86.5Confident94 Ų9486.9 Ų86.944%0.43941%0.413SS..EExtended strand (participates in β ladder)trans-113.4133.9177.9-168.9-167.2-80.300109.6R146 F147 R148R146-Q166 VanDerWaalsContact CD-CD 3.48Å; R146-Q166 HydrophobicContact CG-CG 3.81Å; F147-Q166 WeakPolarHBondContact O-CA 3.34Å; F147-Q166 WeakPolarHBondContact O-CG 3.41Å; R148-Q166 HydrophobicContact CG-CG 4.23Å
167F90.7Very high86.9Confident16 Ų1679.5 Ų79.57%0.0738%0.38CS..EExtended strand (participates in β ladder)trans-134.8151.3174.964.1-90.9000111.5I45 F147 I177 L179I45-F167 HydrophobicContact CG2-CZ 4.4Å; F147-F167 HydrophobicContact CB-CD1 4.12Å; F147-F167 HydrophobicContact CB-CD2 3.99Å; F147-F167 HydrophobicContact CB-CE1 3.63Å; F147-F167 HydrophobicContact CB-CE2 3.51Å; F147-F167 HydrophobicContact CB-CG 4.3Å; F147-F167 HydrophobicContact CB-CZ 3.31Å; F147-F167 AromaticContact CD2-CD2 3.93Å; F147-F167 HydrophobicContact CD2-CD2 3.93Å; F147-F167 AromaticContact CD2-CE2 3.42Å; F147-F167 HydrophobicContact CD2-CE2 3.42Å; F147-F167 VanDerWaalsContact CD2-CE2 3.42Å; F147-F167 HydrophobicContact CD2-CZ 4.05Å; F147-F167 HydrophobicContact CE2-CE2 4.32Å; F147-F167 HydrophobicContact CG-CD2 4.33Å; F147-F167 AromaticContact CG-CE2 3.61Å; F147-F167 HydrophobicContact CG-CE2 3.61Å; F147-F167 AromaticContact CG-CZ 3.73Å; F147-F167 HydrophobicContact CG-CZ 3.73Å; F147-F167 PolarHBondContact N-O 3.17Å; F147-F167 PolarHBondContact O-N 3.26Å; F167-I177 HydrophobicContact CB-CG2 4.28Å; F167-I177 HydrophobicContact CD2-CD1 3.49Å; F167-I177 VanDerWaalsContact CD2-CD1 3.49Å; F167-I177 HydrophobicContact CD2-CG2 4.08Å; F167-I177 HydrophobicContact CE2-CD1 3.88Å; F167-I177 HydrophobicContact CG-CD1 4.47Å; F167-I177 HydrophobicContact CG-CG2 4.17Å; F167-L179 HydrophobicContact CD1-CD2 3.68Å; F167-L179 HydrophobicContact CE1-CD2 3.71Å; F167-L179 HydrophobicContact CG-CD2 4.48Å
168E91.4Very high87.2Confident85 Ų8578.7 Ų78.740%0.39738%0.376SS..EExtended strand (participates in β ladder)trans-117.7143.1176.8-67.1-170.4158.800110.4H51 I144 A145 R146H51-E168 IonicContact CE1-OE1 2.77Å; I144-E168 HydrophobicContact CG2-CB 3.91Å; I144-E168 HydrophobicContact CG2-CG 4.27Å; A145-E168 CarbonylContact O-C 3.56Å; A145-E168 WeakPolarHBondContact O-CA 3.32Å; R146-E168 HydrophobicContact CB-CG 4.1Å; R146-E168 HydrophobicContact CG-CG 4.13Å; R146-E168 IonicContact CZ-OE1 3.76Å; R146-E168 IonicContact NE-OE1 3.46Å; R146-E168 PolarHBondContact NE-OE1 2.77Å; R146-E168 IonicContact NH2-OE1 3.84Å; R146-E168 PolarHBondContact NH2-OE1 3.2Å
169A90.4Very high87Confident1 Ų173.1 Ų73.11%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-132.6138.2179.800000110.7I144 A145 F147 T171 I177 L188I144-A169 WeakPolarHBondContact CA-O 3.11Å; A145-A169 PolarHBondContact N-O 3.41Å; A145-A169 PolarHBondContact O-N 2.88Å; F147-A169 HydrophobicContact CE2-CB 4.31Å; A169-T171 PolarHBondContact O-N 3Å; A169-I177 HydrophobicContact CB-CD1 3.82Å; A169-L188 HydrophobicContact CB-CD1 3.88Å; A169-L188 HydrophobicContact CB-CD2 3.44Å; A169-L188 VanDerWaalsContact CB-CD2 3.44Å; A169-L188 HydrophobicContact CB-CG 4.26Å
170I91.1Very high85.8Confident42 Ų4274.3 Ų74.322%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-77.4107.1170.7-62.5168.6000107.7L142 N143 T172 K173L142-I170 HydrophobicContact CD1-CB 4.46Å; L142-I170 HydrophobicContact CD1-CD1 4.12Å; L142-I170 HydrophobicContact CD1-CG1 4.14Å; L142-I170 HydrophobicContact CD1-CG2 3.52Å; L142-I170 HydrophobicContact CD2-CD1 4.07Å; L142-I170 HydrophobicContact CD2-CG1 4.11Å; L142-I170 HydrophobicContact CG-CG1 4.28Å; L142-I170 HydrophobicContact CG-CG2 4.3Å; N143-I170 WeakPolarHBondContact O-CA 3.42Å; I170-T172 WeakPolarHBondContact CG2-OG1 3.2Å; I170-T172 PolarHBondContact O-N 2.87Å; I170-T172 VanDerWaalsContact O-N 3.14Å; I170-K173 PolarHBondContact O-N 3.41Å; I170-K173 VanDerWaalsContact O-O 3.09Å
171T86.5Confident84.5Confident13 Ų1379.4 Ų79.48%0.0838%0.377CS..THydrogen-bonded Turntrans-67.3-20.9-171.258.50000113.4N143 A145 A169 K173 G190 V191 I330N143-T171 WeakPolarHBondContact CB-OG1 3.36Å; N143-T171 PolarHBondContact O-N 3.42Å; N143-T171 VanDerWaalsContact O-N 3.08Å; A145-T171 HydrophobicContact CB-CG2 3.39Å; A169-T171 PolarHBondContact O-N 3Å; T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact O-N 2.91Å; T171-G190 CarbonylContact O-C 3.56Å; T171-G190 WeakPolarHBondContact O-CA 3.35Å; T171-V191 CarbonylContact C-O 3.55Å; T171-V191 PolarHBondContact O-N 3.32Å; T171-I330 HydrophobicContact CG2-CD1 3.76Å
172T83Confident83.2Confident62 Ų6277 Ų7738%0.3837%0.366SS..THydrogen-bonded Turntrans-80.5-9.6-177.655.50000114.4N143 I170N143-T172 HydrophobicContact CB-CG2 4.21Å; N143-T172 VanDerWaalsContact ND2-CG2 3.26Å; N143-T172 WeakPolarHBondContact ND2-CG2 3.27Å; I170-T172 WeakPolarHBondContact CG2-OG1 3.2Å; I170-T172 PolarHBondContact O-N 2.87Å; I170-T172 VanDerWaalsContact O-N 3.14Å
173K83.9Confident82.3Confident129 Ų12975.5 Ų75.556%0.56136%0.362SS*.SBendtrans-126.6141.3-177.9-64.4-177.8-178179.50109.7I170 T171 Q175I170-K173 PolarHBondContact O-N 3.41Å; I170-K173 VanDerWaalsContact O-O 3.09Å; T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact O-N 2.91Å; K173-Q175 PolarHBondContact O-N 3.02Å
174P84.4Confident81.9Confident99 Ų9973.2 Ų73.264%0.64335%0.352SS*.  trans-63.4130.7170.627.6-32.8000109.2L188P174-L188 WeakPolarHBondContact CA-O 3.34Å
175Q85.9Confident81.7Confident58 Ų5870.7 Ų70.727%0.27134%0.341SS..EExtended strand (participates in β ladder)trans-135.8144.9-179.9-68.7-173.6-5500109.9K173 Q187 L188K173-Q175 PolarHBondContact O-N 3.02Å; Q175-Q187 WeakPolarHBondContact O-CA 3.18Å; Q175-L188 PolarHBondContact O-N 3.4Å
176R86.5Confident81.5Confident173 Ų17368.6 Ų68.665%0.65333%0.331SS*.EExtended strand (participates in β ladder)trans-108.9125.5171.9-69179.7175.8169.6-0.6107.9Q187R176-Q187 HydrophobicContact CG-CB 4.4Å; R176-Q187 HydrophobicContact CG-CG 4.27Å
177I85.2Confident81.4Confident29 Ų2966.7 Ų66.715%0.14932%0.322CS..EExtended strand (participates in β ladder)trans-120120-178.9-56.5-179.9000106.3F167 A169 L179 V186 L188F167-I177 HydrophobicContact CB-CG2 4.28Å; F167-I177 HydrophobicContact CD2-CD1 3.49Å; F167-I177 VanDerWaalsContact CD2-CD1 3.49Å; F167-I177 HydrophobicContact CD2-CG2 4.08Å; F167-I177 HydrophobicContact CE2-CD1 3.88Å; F167-I177 HydrophobicContact CG-CD1 4.47Å; F167-I177 HydrophobicContact CG-CG2 4.17Å; A169-I177 HydrophobicContact CB-CD1 3.82Å; I177-L179 HydrophobicContact CG2-CD2 4.47Å; I177-V186 PolarHBondContact N-O 3Å; I177-V186 PolarHBondContact O-N 3.25Å; I177-L188 HydrophobicContact CD1-CD1 3.74Å; I177-L188 HydrophobicContact CG1-CD1 4.32Å
178E82.6Confident81.3Confident149 Ų14966 Ų6670%0.69632%0.319SS*.EExtended strand (participates in β ladder)trans-90.7120.2175.4-170.9169.4-174.200108E180E178-E180 PolarHBondContact O-N 3.04Å
179L77.4Confident80.7Confident2 Ų264 Ų641%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-84.2111.8175.6-62.3177.2000107.4Y149 F167 I177 K181 I184 V186Y149-L179 HydrophobicContact CD1-CD1 4.33Å; Y149-L179 HydrophobicContact CD2-CD1 3.75Å; Y149-L179 HydrophobicContact CE2-CD1 3.94Å; Y149-L179 HydrophobicContact CG-CD1 3.92Å; F167-L179 HydrophobicContact CD1-CD2 3.68Å; F167-L179 HydrophobicContact CE1-CD2 3.71Å; F167-L179 HydrophobicContact CG-CD2 4.48Å; I177-L179 HydrophobicContact CG2-CD2 4.47Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-I184 HydrophobicContact CD1-CB 4.46Å; L179-I184 HydrophobicContact CD1-CG2 4.11Å; L179-I184 PolarHBondContact N-O 3.46Å; L179-I184 VanDerWaalsContact N-O 3.11Å; L179-V186 HydrophobicContact CD1-CG2 3.75Å; L179-V186 HydrophobicContact CG-CG2 4.2Å
180E60.6Low80Confident136 Ų13666.2 Ų66.264%0.63634%0.337SS*.THydrogen-bonded Turntrans-55.9130.9-169.2-69.2-172.9166.800111.6K163 E178K163-E180 PolarHBondContact NZ-O 3.13Å; E178-E180 PolarHBondContact O-N 3.04Å
181K60Low79.4Confident194 Ų19465.6 Ų65.684%0.84334%0.335SS*.THydrogen-bonded Turntrans86.2-5.7171.8-58.6-176.7176.11790120.4L179L179-K181 PolarHBondContact O-N 2.88Å
182N60.5Low79.1Confident49 Ų4975.6 Ų75.626%0.26237%0.372SS..THydrogen-bonded Turntrans-119.912.5-173.7-67-19.4000115.9Y149 M151 I184Y149-N182 PolarHBondContact OH-ND2 2.74Å; M151-N182 WeakPolarHBondContact CE-ND2 3.39Å; M151-N182 PolarHBondContact SD-ND2 3.46Å; N182-I184 HydrophobicContact CB-CD1 4.28Å; N182-I184 HydrophobicContact CB-CG1 4.14Å; N182-I184 WeakPolarHBondContact O-CG1 3.47Å; N182-I184 PolarHBondContact O-N 3.35Å
183S68.9Low78.9Confident53 Ų5373.9 Ų73.937%0.37136%0.364SS..THydrogen-bonded Turntrans56.223-177.5-61.70000113.6N337S183-N337 PolarHBondContact O-N 2.91Å
184I78Confident78.6Confident4 Ų471 Ų712%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-102.1119.7175.7-56.3-179.8000108.4F15 Y149 L179 N182 V186 I334 N335 F336F15-I184 HydrophobicContact CE2-CD1 4.31Å; Y149-I184 HydrophobicContact CE2-CD1 4.49Å; L179-I184 HydrophobicContact CD1-CB 4.46Å; L179-I184 HydrophobicContact CD1-CG2 4.11Å; L179-I184 PolarHBondContact N-O 3.46Å; L179-I184 VanDerWaalsContact N-O 3.11Å; N182-I184 HydrophobicContact CB-CD1 4.28Å; N182-I184 HydrophobicContact CB-CG1 4.14Å; N182-I184 WeakPolarHBondContact O-CG1 3.47Å; N182-I184 PolarHBondContact O-N 3.35Å; I184-V186 HydrophobicContact CG2-CG2 4.32Å; I184-I334 HydrophobicContact CG2-CG2 3.46Å; I184-I334 VanDerWaalsContact CG2-CG2 3.46Å; I184-N335 WeakPolarHBondContact CA-O 3.38Å; I184-F336 HydrophobicContact CD1-CD1 4.45Å; I184-F336 HydrophobicContact CD1-CE1 4.04Å; I184-F336 HydrophobicContact CG1-CD1 3.88Å; I184-F336 HydrophobicContact CG1-CE1 3.92Å; I184-F336 HydrophobicContact CG2-CE1 4.3Å
185Q86.2Confident78.6Confident53 Ų5371 Ų7125%0.24835%0.351CS..EExtended strand (participates in β ladder)trans-110.2124.1170.6173.6-178.37000109.3N335Q185-N335 HydrophobicContact CB-CB 4.2Å; Q185-N335 PolarHBondContact N-O 2.72Å; Q185-N335 PolarHBondContact O-N 3.06Å; Q185-N335 PolarHBondContact OE1-ND2 2.87Å
186V87.4Confident78.7Confident0 Ų073.9 Ų73.90%037%0.365CS..EExtended strand (participates in β ladder)trans-98.9122.4175.1-177.20000108.7I45 I177 L179 I184 L188 L332I45-V186 HydrophobicContact CD1-CG2 4Å; I177-V186 PolarHBondContact N-O 3Å; I177-V186 PolarHBondContact O-N 3.25Å; L179-V186 HydrophobicContact CD1-CG2 3.75Å; L179-V186 HydrophobicContact CG-CG2 4.2Å; I184-V186 HydrophobicContact CG2-CG2 4.32Å; V186-L188 HydrophobicContact CG1-CD1 4.25Å; V186-L332 HydrophobicContact CG1-CB 4.32Å; V186-L332 HydrophobicContact CG1-CD1 4.37Å; V186-L332 HydrophobicContact CG1-CD2 4.08Å
187Q89.2Confident79Confident54 Ų5465.8 Ų65.825%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-109.6124.7173.6179173.1-26.300109.9Q175 R176 L332 T333Q175-Q187 WeakPolarHBondContact O-CA 3.18Å; R176-Q187 HydrophobicContact CG-CB 4.4Å; R176-Q187 HydrophobicContact CG-CG 4.27Å; Q187-L332 CarbonylContact O-C 3.59Å; Q187-T333 PolarHBondContact N-O 2.79Å; Q187-T333 PolarHBondContact O-N 3.19Å
188L88.5Confident79.3Confident1 Ų172 Ų721%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-93.1131.1175.5-71.788.8000110.3F147 A169 P174 Q175 I177 V186 I330 L332F147-L188 HydrophobicContact CE2-CD2 3.75Å; F147-L188 HydrophobicContact CZ-CD2 3.96Å; A169-L188 HydrophobicContact CB-CD1 3.88Å; A169-L188 HydrophobicContact CB-CD2 3.44Å; A169-L188 VanDerWaalsContact CB-CD2 3.44Å; A169-L188 HydrophobicContact CB-CG 4.26Å; P174-L188 WeakPolarHBondContact CA-O 3.34Å; Q175-L188 PolarHBondContact O-N 3.4Å; I177-L188 HydrophobicContact CD1-CD1 3.74Å; I177-L188 HydrophobicContact CG1-CD1 4.32Å; V186-L188 HydrophobicContact CG1-CD1 4.25Å; L188-I330 HydrophobicContact CD2-CG2 3.92Å; L188-I330 HydrophobicContact CG-CG2 4.48Å; L188-L332 HydrophobicContact CD1-CD2 4.27Å; L188-L332 HydrophobicContact CD2-CD2 4.02Å; L188-L332 HydrophobicContact CG-CD2 3.58Å
189S79.8Confident79.9Confident43 Ų4368.6 Ų68.630%0.30135%0.345SS..PPolyproline II helixtrans-77.6138164.4-66.70000109.4V191 Q331S189-V191 PolarHBondContact O-N 2.81Å; S189-Q331 PolarHBondContact N-O 2.77Å; S189-Q331 VanDerWaalsContact N-O 3.1Å
190G75.3Confident80.7Confident47 Ų4770 Ų7049%0.48536%0.355SS..PPolyproline II helixtrans-65.2120.7-17900000112.1T171T171-G190 CarbonylContact O-C 3.56Å; T171-G190 WeakPolarHBondContact O-CA 3.35Å
191V78.3Confident82.4Confident29 Ų2964.5 Ų64.518%0.17633%0.329CS..  trans-117133.2176.6-177.50000109.6T171 S189 P328T171-V191 CarbonylContact C-O 3.55Å; T171-V191 PolarHBondContact O-N 3.32Å; S189-V191 PolarHBondContact O-N 2.81Å; V191-P328 HydrophobicContact CG1-CB 3.97Å; V191-P328 HydrophobicContact CG1-CG 3.67Å
192R79.3Confident84.2Confident223 Ų22355.7 Ų55.784%0.84229%0.29SS*.  trans-81138.5171.5-68.4-175.4179.5-169.50.7109.2A194R192-A194 PolarHBondContact O-N 2.86Å
193A79.6Confident85.9Confident27 Ų2753.3 Ų53.322%0.22328%0.278CS..  trans-58.7136.1171.600000110.1N143 W195N143-A193 WeakPolarHBondContact OD1-CB 3.28Å; A193-W195 VanDerWaalsContact C-N 3.26Å
194A77.3Confident87.1Confident67 Ų6751.9 Ų51.955%0.55426%0.264SS*.SBendtrans-67.1-33.2175.500000111.5R192 P328R192-A194 PolarHBondContact O-N 2.86Å; A194-P328 HydrophobicContact CB-CG 4.47Å
195W83.3Confident87.8Confident99 Ų9954.8 Ų54.838%0.37528%0.277SS..  trans-127.2143.7-176.1-51.195.6000110.9Q52 A193 W304Q52-W195 PolarHBondContact NE2-O 2.8Å; A193-W195 VanDerWaalsContact C-N 3.26Å; W195-W304 HydrophobicContact CB-CD2 3.56Å; W195-W304 HydrophobicContact CB-CE3 3.94Å; W195-W304 HydrophobicContact CB-CG 3.84Å; W195-W304 HydrophobicContact CB-CZ2 4.18Å; W195-W304 HydrophobicContact CB-CZ3 4.4Å; W195-W304 HydrophobicContact CD2-CG 4.33Å; W195-W304 HydrophobicContact CG-CB 4.26Å; W195-W304 HydrophobicContact CG-CD2 4.19Å; W195-W304 AromaticContact CG-CG 3.93Å; W195-W304 HydrophobicContact CG-CG 3.93Å
196Q89.3Confident88Confident119 Ų11955.1 Ų55.156%0.55628%0.283SS*.  trans-152.6142.9172.461.8-179-7.400109.2
197L92.3Very high87.9Confident4 Ų458.7 Ų58.72%0.02132%0.32CS..  trans-59.6140.3164.2-64.5178.5000110.5Y54 L138 E199 L213 V298 E302 W304 I305 V322Y54-L197 HydrophobicContact CE1-CB 3.92Å; Y54-L197 HydrophobicContact CE2-CB 4.47Å; Y54-L197 HydrophobicContact CE2-CD1 4.36Å; Y54-L197 WeakPolarHBondContact OH-CB 3.31Å; Y54-L197 PolarHBondContact OH-N 2.83Å; L138-L197 HydrophobicContact CD1-CD1 4.32Å; L197-E199 PolarHBondContact O-N 2.84Å; L197-L213 HydrophobicContact CD1-CD2 4.42Å; L197-V298 HydrophobicContact CD1-CG1 4.24Å; L197-V298 HydrophobicContact CD2-CG1 3.57Å; L197-E302 HydrophobicContact CD2-CG 4.07Å; L197-W304 HydrophobicContact CD2-CZ2 4.03Å; L197-W304 HydrophobicContact CG-CH2 4.16Å; L197-W304 HydrophobicContact CG-CZ2 4.13Å; L197-I305 HydrophobicContact CD1-CD1 4.36Å; L197-I305 HydrophobicContact CD2-CD1 3.73Å; L197-I305 HydrophobicContact CG-CD1 4.15Å; L197-V322 HydrophobicContact CD1-CG2 3.87Å
198K92.2Very high87.7Confident160 Ų16059.5 Ų59.570%0.69633%0.325SS*.  trans-66.7128.3177.2-177.5-179.7-179.6177.30110.4S200 Y202K198-S200 PolarHBondContact O-N 2.79Å; K198-S200 PolarHBondContact O-OG 3.14Å; K198-Y202 PolarHBondContact N-OH 3.42Å; K198-Y202 WeakPolarHBondContact O-CE2 3.46Å; K198-Y202 PolarHBondContact O-OH 2.83Å
199E94.3Very high87.4Confident77 Ų7767.1 Ų67.136%0.3636%0.361SS..SBendtrans-56.5105.6170.9171.5165-14900110.3R57 Y137 L138 L197R57-E199 IonicContact CZ-OE1 2.82Å; R57-E199 IonicContact NH1-OE1 2.69Å; R57-E199 PolarHBondContact NH1-OE1 2.88Å; R57-E199 IonicContact NH2-OE1 2.83Å; Y137-E199 HydrophobicContact CE1-CG 3.7Å; Y137-E199 VanDerWaalsContact OH-CG 3.27Å; Y137-E199 WeakPolarHBondContact OH-CG 3.5Å; L138-E199 VanDerWaalsContact O-CA 3.32Å; L138-E199 WeakPolarHBondContact O-CA 3.36Å; L138-E199 WeakPolarHBondContact O-CG 3.27Å; L197-E199 PolarHBondContact O-N 2.84Å
200S95.1Very high87.7Confident32 Ų3270.7 Ų70.722%0.22438%0.377CS..EExtended strand (participates in β ladder)trans-171.9179.6-169.8640000112L138 K198 Y202L138-S200 PolarHBondContact N-O 2.85Å; L138-S200 PolarHBondContact O-N 2.05Å; K198-S200 PolarHBondContact O-N 2.79Å; K198-S200 PolarHBondContact O-OG 3.14Å; S200-Y202 WeakPolarHBondContact O-CD2 3.14Å; S200-Y202 WeakPolarHBondContact OG-CE2 3.15Å
201M96.5Very high88.4Confident20 Ų2069.9 Ų69.910%0.09936%0.361CS..EExtended strand (participates in β ladder)trans-79134.4174.3-68.8-60.7-57.200110.4Y60 A135 V136 Y137 I219 R221Y60-M201 HydrophobicContact CE1-CE 3.83Å; A135-M201 HydrophobicContact CB-CE 3.74Å; V136-M201 WeakPolarHBondContact O-CA 3.24Å; Y137-M201 HydrophobicContact CD2-CG 4.17Å; Y137-M201 HydrophobicContact CD2-SD 3.73Å; Y137-M201 HydrophobicContact CG-SD 4.2Å; M201-I219 HydrophobicContact CB-CB 3.66Å; M201-I219 HydrophobicContact CB-CD1 4.08Å; M201-I219 HydrophobicContact CB-CG1 4.23Å; M201-I219 HydrophobicContact CB-CG2 3.94Å; M201-I219 HydrophobicContact CE-CG2 4.09Å; M201-I219 HydrophobicContact CG-CB 4.31Å; M201-I219 HydrophobicContact CG-CG2 4.39Å; M201-R221 HydrophobicContact CG-CG 4.11Å; M201-R221 HydrophobicContact SD-CG 4.32Å
202Y96.6Very high89.1Confident8 Ų870.7 Ų70.73%0.03137%0.366CS..EExtended strand (participates in β ladder)trans-129.2171.5169.5-64.5-96.4000108.8A135 V136 L138 K198 S200 L213 H215 V298A135-Y202 CarbonylContact C-O 3.55Å; A135-Y202 WeakPolarHBondContact CA-O 3.46Å; V136-Y202 PolarHBondContact N-O 3.43Å; V136-Y202 PolarHBondContact O-N 2.8Å; L138-Y202 HydrophobicContact CB-CD2 4.12Å; L138-Y202 HydrophobicContact CB-CE2 4.23Å; L138-Y202 HydrophobicContact CD1-CD2 3.65Å; L138-Y202 HydrophobicContact CD1-CE2 3.94Å; L138-Y202 HydrophobicContact CD1-CG 4.18Å; L138-Y202 HydrophobicContact CG-CD2 3.69Å; L138-Y202 HydrophobicContact CG-CE2 4.2Å; L138-Y202 HydrophobicContact CG-CG 4.46Å; K198-Y202 PolarHBondContact N-OH 3.42Å; K198-Y202 WeakPolarHBondContact O-CE2 3.46Å; K198-Y202 PolarHBondContact O-OH 2.83Å; S200-Y202 WeakPolarHBondContact O-CD2 3.14Å; S200-Y202 WeakPolarHBondContact OG-CE2 3.15Å; Y202-L213 HydrophobicContact CD1-CD2 3.87Å; Y202-L213 HydrophobicContact CD1-CG 4.03Å; Y202-L213 HydrophobicContact CG-CD1 4.38Å; Y202-L213 HydrophobicContact CG-CD2 3.97Å; Y202-L213 HydrophobicContact CG-CG 4.15Å; Y202-H215 HydrophobicContact CD1-CB 3.79Å; Y202-H215 HydrophobicContact CE1-CB 3.73Å; Y202-V298 HydrophobicContact CD1-CG2 3.79Å; Y202-V298 HydrophobicContact CE1-CG2 3.83Å
203F95.7Very high89.8Confident0 Ų060.1 Ų60.10%033%0.327CS..EExtended strand (participates in β ladder)trans-149.7161.6172.170.4-73.6000112F62 F133 D134 L213 R214 V217 I219 I230 L294F62-F203 HydrophobicContact CE1-CB 3.84Å; F62-F203 HydrophobicContact CE1-CD2 4.3Å; F62-F203 HydrophobicContact CE1-CG 4.27Å; F62-F203 HydrophobicContact CZ-CB 4.04Å; F62-F203 AromaticContact CZ-CD2 3.73Å; F62-F203 HydrophobicContact CZ-CD2 3.73Å; F62-F203 HydrophobicContact CZ-CE2 4.33Å; F62-F203 AromaticContact CZ-CG 3.95Å; F62-F203 HydrophobicContact CZ-CG 3.95Å; F133-F203 HydrophobicContact CB-CD2 4.25Å; F133-F203 AromaticContact CD1-CD2 3.73Å; F133-F203 HydrophobicContact CD1-CD2 3.73Å; F133-F203 AromaticContact CD1-CE2 3.93Å; F133-F203 HydrophobicContact CD1-CE2 3.93Å; F133-F203 HydrophobicContact CE1-CD2 4.45Å; F133-F203 HydrophobicContact CE1-CE2 4.21Å; F133-F203 HydrophobicContact CG-CD2 4.23Å; D134-F203 CarbonylContact O-C 3.52Å; D134-F203 WeakPolarHBondContact O-CA 3.36Å; D134-F203 WeakPolarHBondContact O-CB 2.98Å; F203-L213 CarbonylContact O-C 3.59Å; F203-R214 HydrophobicContact CD1-CB 4.02Å; F203-R214 HydrophobicContact CE1-CB 3.66Å; F203-R214 HydrophobicContact CE2-CB 4.2Å; F203-R214 HydrophobicContact CG-CB 4.48Å; F203-R214 HydrophobicContact CZ-CB 3.78Å; F203-R214 PolarHBondContact N-O 2.83Å; F203-R214 PolarHBondContact O-N 2.82Å; F203-V217 HydrophobicContact CE1-CG2 3.72Å; F203-V217 HydrophobicContact CZ-CG2 4.22Å; F203-I219 HydrophobicContact CD1-CD1 3.49Å; F203-I219 VanDerWaalsContact CD1-CD1 3.49Å; F203-I219 HydrophobicContact CE1-CD1 4.13Å; F203-I219 HydrophobicContact CG-CD1 4.42Å; F203-I230 HydrophobicContact CD1-CD1 3.72Å; F203-I230 HydrophobicContact CD2-CD1 4.49Å; F203-I230 HydrophobicContact CE1-CD1 3.58Å; F203-I230 HydrophobicContact CE2-CD1 4.39Å; F203-I230 HydrophobicContact CG-CD1 4.15Å; F203-I230 HydrophobicContact CZ-CD1 3.91Å; F203-L294 HydrophobicContact CZ-CB 4.34Å; F203-L294 VanDerWaalsContact CZ-O 3.26Å; F203-L294 WeakPolarHBondContact CZ-O 3.26Å
204Y94.5Very high90.6Very high22 Ų2261.5 Ų61.59%0.08633%0.326CS..EExtended strand (participates in β ladder)trans-143.9161.1172.659.3-87.8000109.2F133 D134 V136 L211 T212 L213 L310F133-Y204 CarbonylContact C-O 3.57Å; F133-Y204 WeakPolarHBondContact CA-O 3.39Å; D134-Y204 HydrophobicContact CB-CD1 4.21Å; D134-Y204 HydrophobicContact CB-CD2 4.25Å; D134-Y204 HydrophobicContact CB-CE1 3.65Å; D134-Y204 HydrophobicContact CB-CE2 3.7Å; D134-Y204 HydrophobicContact CB-CG 4.48Å; D134-Y204 PolarHBondContact N-O 2.81Å; D134-Y204 PolarHBondContact O-N 2.86Å; V136-Y204 HydrophobicContact CG1-CE1 3.95Å; V136-Y204 HydrophobicContact CG2-CE1 4.39Å; Y204-L211 HydrophobicContact CD1-CD1 3.68Å; Y204-L211 HydrophobicContact CD2-CD1 3.5Å; Y204-L211 VanDerWaalsContact CD2-CD1 3.5Å; Y204-L211 HydrophobicContact CE1-CD1 4.06Å; Y204-L211 HydrophobicContact CE2-CD1 3.9Å; Y204-L211 HydrophobicContact CG-CD1 3.37Å; Y204-T212 WeakPolarHBondContact CB-O 3.48Å; Y204-L213 HydrophobicContact CD1-CD1 4.19Å; Y204-L310 HydrophobicContact CE2-CD1 4.33Å
205K92.9Very high91.2Very high66 Ų6660.3 Ų60.329%0.28731%0.309SS..EExtended strand (participates in β ladder)trans-83129.6178.4-173.6178.4162.8-141.40109.8F133 D208F133-K205 HydrophobicContact CD1-CB 3.79Å; F133-K205 HydrophobicContact CD1-CG 4.23Å; F133-K205 HydrophobicContact CE1-CB 3.66Å; F133-K205 HydrophobicContact CE1-CD 4.3Å; F133-K205 HydrophobicContact CE1-CG 3.91Å; F133-K205 HydrophobicContact CZ-CG 4.38Å; K205-D208 WeakPolarHBondContact CB-OD2 3.39Å; K205-D208 WeakPolarHBondContact CD-OD1 3.41Å; K205-D208 IonicContact NZ-OD1 3.46Å; K205-D208 PolarHBondContact NZ-OD1 3.48Å; K205-D208 VanDerWaalsContact NZ-OD1 3.1Å
206T89.6Confident91.4Very high60 Ų6058 Ų5837%0.36832%0.316SS..THydrogen-bonded Turntrans-72132.2179.6-43.80000109.6R132 D134R132-T206 PolarHBondContact O-N 2.78Å; R132-T206 PolarHBondContact O-OG1 3.2Å; D134-T206 PolarHBondContact OD2-OG1 2.85Å
207G85.4Confident91.4Very high75 Ų7553 Ų5377%0.77329%0.293SS*.THydrogen-bonded Turntrans92.5-3.5176.900000115.7
208D86.3Confident91.5Very high70 Ų7056 Ų5637%0.37431%0.313SS..  trans-68.3142.6169.3-73.7-2.6000110K205 D210K205-D208 WeakPolarHBondContact CB-OD2 3.39Å; K205-D208 WeakPolarHBondContact CD-OD1 3.41Å; K205-D208 IonicContact NZ-OD1 3.46Å; K205-D208 PolarHBondContact NZ-OD1 3.48Å; K205-D208 VanDerWaalsContact NZ-OD1 3.1Å; D208-D210 VanDerWaalsContact C-N 3.32Å; D208-D210 PolarHBondContact O-N 3.28Å
209Q82.5Confident91.7Very high162 Ų16249.1 Ų49.176%0.75728%0.284SS*.SBendtrans-65.1-37.8-177.1-71.1-176.7-11.500112.6R313Q209-R313 PolarHBondContact O-NH1 3.15Å; Q209-R313 PolarHBondContact O-NH2 3.28Å
210D85.1Confident91.8Very high117 Ų11745.5 Ų45.563%0.62627%0.267SS*.SBendtrans-111.5137.7178.2-64.8-37.6000110.2D208 T212D208-D210 VanDerWaalsContact C-N 3.32Å; D208-D210 PolarHBondContact O-N 3.28Å; D210-T212 PolarHBondContact O-N 3.24Å
211L90.4Very high91.9Very high31 Ų3148.5 Ų48.516%0.16227%0.273CS..  trans-72.7100.9-178.9-177.675.4000110.2Y204 L213 I308 L310 V320Y204-L211 HydrophobicContact CD1-CD1 3.68Å; Y204-L211 HydrophobicContact CD2-CD1 3.5Å; Y204-L211 VanDerWaalsContact CD2-CD1 3.5Å; Y204-L211 HydrophobicContact CE1-CD1 4.06Å; Y204-L211 HydrophobicContact CE2-CD1 3.9Å; Y204-L211 HydrophobicContact CG-CD1 3.37Å; L211-L213 PolarHBondContact O-N 3.3Å; L211-I308 HydrophobicContact CD2-CG2 3.76Å; L211-L310 HydrophobicContact CD1-CD1 4.18Å; L211-L310 HydrophobicContact CD1-CG 4.09Å; L211-L310 HydrophobicContact CD2-CD2 4.46Å; L211-L310 HydrophobicContact CD2-CG 4.03Å; L211-V320 HydrophobicContact CD2-CG1 4.35Å
212T93Very high91.7Very high45 Ų4551.8 Ų51.828%0.27629%0.287SS..  trans-9486.2171.8-56.30000110.1Y204 D210 R214 P297Y204-T212 WeakPolarHBondContact CB-O 3.48Å; D210-T212 PolarHBondContact O-N 3.24Å; T212-R214 HydrophobicContact CG2-CG 4.33Å; T212-P297 HydrophobicContact CG2-CB 3.83Å; T212-P297 HydrophobicContact CG2-CG 3.98Å
213L94.8Very high91.5Very high2 Ų258.4 Ų58.41%0.0132%0.318CS..  trans-68134173.4-164.370.3000110.1V136 L138 L197 Y202 F203 Y204 L211 P297 V298 I308V136-L213 HydrophobicContact CG2-CD1 4.16Å; L138-L213 HydrophobicContact CD1-CD2 3.81Å; L197-L213 HydrophobicContact CD1-CD2 4.42Å; Y202-L213 HydrophobicContact CD1-CD2 3.87Å; Y202-L213 HydrophobicContact CD1-CG 4.03Å; Y202-L213 HydrophobicContact CG-CD1 4.38Å; Y202-L213 HydrophobicContact CG-CD2 3.97Å; Y202-L213 HydrophobicContact CG-CG 4.15Å; F203-L213 CarbonylContact O-C 3.59Å; Y204-L213 HydrophobicContact CD1-CD1 4.19Å; L211-L213 PolarHBondContact O-N 3.3Å; L213-P297 CarbonylContact O-C 3.47Å; L213-P297 WeakPolarHBondContact O-CA 3.3Å; L213-V298 HydrophobicContact CB-CB 4.43Å; L213-V298 HydrophobicContact CB-CG2 4.19Å; L213-V298 HydrophobicContact CD2-CG2 4.14Å; L213-V298 HydrophobicContact CG-CG2 4.09Å; L213-V298 WeakPolarHBondContact O-CG2 3.45Å; L213-V298 PolarHBondContact O-N 3.27Å; L213-I308 HydrophobicContact CB-CD1 4.16Å; L213-I308 HydrophobicContact CB-CG2 4.5Å; L213-I308 HydrophobicContact CD2-CD1 4.48Å
214R94.5Very high91.5Very high55 Ų5561.3 Ų61.321%0.20833%0.332CS..EExtended strand (participates in β ladder)trans-124.6149.4-175.1-69.6173.4174.2-97.64.6112.6F203 T212 L294 G295 H296F203-R214 HydrophobicContact CD1-CB 4.02Å; F203-R214 HydrophobicContact CE1-CB 3.66Å; F203-R214 HydrophobicContact CE2-CB 4.2Å; F203-R214 HydrophobicContact CG-CB 4.48Å; F203-R214 HydrophobicContact CZ-CB 3.78Å; F203-R214 PolarHBondContact N-O 2.83Å; F203-R214 PolarHBondContact O-N 2.82Å; T212-R214 HydrophobicContact CG2-CG 4.33Å; R214-L294 PolarHBondContact NH1-O 3.35Å; R214-G295 PolarHBondContact NH1-O 3.46Å; R214-H296 VanDerWaalsContact CA-O 3.24Å; R214-H296 WeakPolarHBondContact CA-O 3.4Å
215H91.8Very high91.4Very high43 Ų4362 Ų6220%0.19934%0.335CS..EExtended strand (participates in β ladder)trans-147.5-177.4176.876122.1000110.9Y202 G295 H296 V298 A301Y202-H215 HydrophobicContact CD1-CB 3.79Å; Y202-H215 HydrophobicContact CE1-CB 3.73Å; H215-G295 CarbonylContact O-C 3.51Å; H215-G295 VanDerWaalsContact O-CA 3.27Å; H215-G295 WeakPolarHBondContact O-CA 3.41Å; H215-H296 PolarHBondContact CD2-O 2.84Å; H215-H296 PolarHBondContact N-O 2.94Å; H215-H296 PolarHBondContact O-N 3.4Å; H215-V298 HydrophobicContact CB-CG2 4.21Å; H215-A301 WeakPolarHBondContact NE2-CB 3.23Å
216G87.1Confident91.4Very high51 Ų5160.7 Ų60.753%0.52634%0.335SS..SBendtrans93.31.9176.700000114.7
217V89.8Confident91.5Very high12 Ų1259.3 Ų59.37%0.07333%0.326CS..SBendtrans-121.3145.9168.7-67.40000109.8F203 I219 I230 F275 F293F203-V217 HydrophobicContact CE1-CG2 3.72Å; F203-V217 HydrophobicContact CZ-CG2 4.22Å; V217-I219 HydrophobicContact CG2-CG1 4.47Å; V217-I219 VanDerWaalsContact O-CG1 3.23Å; V217-I219 WeakPolarHBondContact O-CG1 3.39Å; V217-I219 PolarHBondContact O-N 2.88Å; V217-I230 HydrophobicContact CG2-CD1 3.69Å; V217-I230 HydrophobicContact CG2-CG1 4.14Å; V217-F275 HydrophobicContact CB-CE1 3.96Å; V217-F275 HydrophobicContact CB-CZ 4.01Å; V217-F275 HydrophobicContact CG1-CE1 3.7Å; V217-F275 HydrophobicContact CG1-CZ 4.13Å; V217-F293 HydrophobicContact CG1-CD1 3.71Å; V217-F293 HydrophobicContact CG1-CE1 3.64Å
218P93.1Very high91.8Very high68 Ų6859.5 Ų59.544%0.44231%0.31SS..  trans-62.8125.1173.7-24.636.3000111.8K229 I230P218-K229 HydrophobicContact CB-CB 4.18Å; P218-K229 HydrophobicContact CB-CD 4.13Å; P218-K229 HydrophobicContact CB-CG 3.7Å; P218-K229 CarbonylContact O-C 3.35Å; P218-K229 WeakPolarHBondContact O-CA 3.47Å; P218-K229 WeakPolarHBondContact O-CB 3.14Å; P218-I230 WeakPolarHBondContact O-CG1 3.4Å; P218-I230 PolarHBondContact O-N 2.77Å
219I95.9Very high92.1Very high16 Ų1659 Ų598%0.08230%0.304CS..BIsolated β-bridgetrans-118.5135-178.2-40.3-171000109.1A135 M201 F203 V217 I230A135-I219 HydrophobicContact CB-CG2 4.37Å; M201-I219 HydrophobicContact CB-CB 3.66Å; M201-I219 HydrophobicContact CB-CD1 4.08Å; M201-I219 HydrophobicContact CB-CG1 4.23Å; M201-I219 HydrophobicContact CB-CG2 3.94Å; M201-I219 HydrophobicContact CE-CG2 4.09Å; M201-I219 HydrophobicContact CG-CB 4.31Å; M201-I219 HydrophobicContact CG-CG2 4.39Å; F203-I219 HydrophobicContact CD1-CD1 3.49Å; F203-I219 VanDerWaalsContact CD1-CD1 3.49Å; F203-I219 HydrophobicContact CE1-CD1 4.13Å; F203-I219 HydrophobicContact CG-CD1 4.42Å; V217-I219 HydrophobicContact CG2-CG1 4.47Å; V217-I219 VanDerWaalsContact O-CG1 3.23Å; V217-I219 WeakPolarHBondContact O-CG1 3.39Å; V217-I219 PolarHBondContact O-N 2.88Å; I219-I230 HydrophobicContact CB-CD1 4.34Å; I219-I230 HydrophobicContact CB-CG1 3.95Å; I219-I230 HydrophobicContact CD1-CD1 3.97Å; I219-I230 HydrophobicContact CD1-CG1 4.49Å; I219-I230 HydrophobicContact CG1-CD1 3.75Å; I219-I230 HydrophobicContact CG1-CG1 3.75Å; I219-I230 HydrophobicContact CG2-CD1 4.14Å; I219-I230 HydrophobicContact CG2-CG1 3.91Å
220N97Very high92.7Very high0 Ų051.5 Ų51.50%027%0.269CS..  trans-65.6139.2172.1-77-65.3000111.2Y60 E224 S226 K229 I230Y60-N220 WeakPolarHBondContact CE1-O 3.36Å; Y60-N220 PolarHBondContact OH-O 3.05Å; N220-E224 HydrophobicContact CB-CB 4.18Å; N220-E224 VanDerWaalsContact OD1-CG 3.32Å; N220-E224 WeakPolarHBondContact OD1-CG 3.42Å; N220-S226 PolarHBondContact ND2-O 3.48Å; N220-S226 WeakPolarHBondContact OD1-CB 3.49Å; N220-S226 PolarHBondContact OD1-N 3.37Å; N220-K229 PolarHBondContact ND2-O 2.67Å; N220-K229 VanDerWaalsContact ND2-O 3.15Å; N220-I230 PolarHBondContact N-O 2.82Å; N220-I230 PolarHBondContact ND2-O 2.84Å
221R96.5Very high93.2Very high96 Ų9646 Ų4636%0.36224%0.241SC..  trans-68.7170.7161.8-62.5-165.779.61585.3111.4E58 Y137 M201 H223 E224 R234E58-R221 IonicContact OE1-CZ 2.73Å; E58-R221 VanDerWaalsContact OE1-CZ 3.27Å; E58-R221 IonicContact OE1-NE 3.21Å; E58-R221 PolarHBondContact OE1-NE 2.88Å; E58-R221 VanDerWaalsContact OE1-NE 3.13Å; E58-R221 IonicContact OE1-NH2 3.1Å; E58-R221 PolarHBondContact OE1-NH2 3.01Å; E58-R221 IonicContact OE2-NE 3.79Å; Y137-R221 PolarHBondContact OH-NH2 3.08Å; M201-R221 HydrophobicContact CG-CG 4.11Å; M201-R221 HydrophobicContact SD-CG 4.32Å; R221-H223 VanDerWaalsContact C-N 3.29Å; R221-H223 PolarHBondContact O-N 3.05Å; R221-E224 HydrophobicContact CB-CB 4.17Å; R221-E224 PolarHBondContact N-OE2 3.37Å; R221-E224 PolarHBondContact O-N 3Å; R221-R234 PolarHBondContact O-NH2 2.85Å
222F93.1Very high93.4Very high89 Ų8944.9 Ų44.939%0.3923%0.234SC..THydrogen-bonded Turntrans-58.1-38.3-178.4-175.8-94.1000113.2E58 Y60 R234E58-F222 HydrophobicContact CB-CB 4.13Å; E58-F222 HydrophobicContact CG-CB 4.21Å; E58-F222 VanDerWaalsContact OE2-CB 3.28Å; E58-F222 WeakPolarHBondContact OE2-CB 3.42Å; E58-F222 PolarHBondContact OE2-N 2.79Å; Y60-F222 HydrophobicContact CD1-CB 4.43Å; Y60-F222 HydrophobicContact CD1-CD2 4.06Å; Y60-F222 HydrophobicContact CG-CD2 4.38Å; F222-R234 PolarHBondContact O-NH1 3.16Å
223H93Very high93.5Very high147 Ų14742.8 Ų42.868%0.68122%0.221SC*.THydrogen-bonded Turntrans-92.2-0.7177.7-60.5-64.6000114.3R221 H225R221-H223 VanDerWaalsContact C-N 3.29Å; R221-H223 PolarHBondContact O-N 3.05Å; H223-H225 PolarHBondContact O-CD2 2.82Å
224E94.5Very high93.5Very high61 Ų6143.9 Ų43.929%0.28523%0.225SC..  trans-96.7144.8179.4-163.4-172.1176.300110.5N220 R221 K229 R234N220-E224 HydrophobicContact CB-CB 4.18Å; N220-E224 VanDerWaalsContact OD1-CG 3.32Å; N220-E224 WeakPolarHBondContact OD1-CG 3.42Å; R221-E224 HydrophobicContact CB-CB 4.17Å; R221-E224 PolarHBondContact N-OE2 3.37Å; R221-E224 PolarHBondContact O-N 3Å; E224-K229 WeakPolarHBondContact OE1-CD 3.42Å; E224-K229 WeakPolarHBondContact OE1-CE 3.31Å; E224-K229 IonicContact OE1-NZ 2.67Å; E224-K229 PolarHBondContact OE1-NZ 3.2Å; E224-K229 IonicContact OE2-NZ 2.85Å; E224-K229 PolarHBondContact OE2-NZ 2.99Å; E224-R234 PolarHBondContact O-NH2 2.8Å
225H92.3Very high93.5Very high35 Ų3543.1 Ų43.116%0.16222%0.222CC..  trans-14340.3-178-60.1-90.1000112.1H223 R234 R245 K250H223-H225 PolarHBondContact O-CD2 2.82Å; H225-R234 PolarHBondContact CE1-NH1 2.96Å; H225-R245 WeakPolarHBondContact CD2-CD 3.32Å; H225-R245 PolarHBondContact CD2-NH1 3.22Å; H225-R245 VanDerWaalsContact CD2-NH1 3.29Å; H225-R245 VanDerWaalsContact CE1-CD 3.44Å; H225-R245 WeakPolarHBondContact CE1-CD 3.3Å; H225-R245 WeakPolarHBondContact NE2-CD 3.33Å; H225-R245 PolarHBondContact NE2-NH1 3.36Å; H225-K250 PolarHBondContact O-NZ 3.23Å
226S94.2Very high93.5Very high40 Ų4043.2 Ų43.228%0.2822%0.223SC..  trans-66.2133.6175.4-177.20000110.5N220 N228N220-S226 PolarHBondContact ND2-O 3.48Å; N220-S226 WeakPolarHBondContact OD1-CB 3.49Å; N220-S226 PolarHBondContact OD1-N 3.37Å; S226-N228 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact OG-N 2.69Å
227V92Very high93.5Very high31 Ų3147.5 Ų47.519%0.18823%0.229CC..THydrogen-bonded Turntrans-76.3-10176.3-63.50000112.8K229 W232 K250 V273 D274V227-K229 VanDerWaalsContact C-N 3.33Å; V227-W232 PolarHBondContact O-NE1 3.27Å; V227-K250 HydrophobicContact CG1-CD 3.96Å; V227-V273 HydrophobicContact CB-CB 4.19Å; V227-V273 HydrophobicContact CB-CG1 3.85Å; V227-V273 HydrophobicContact CG1-CG1 4.34Å; V227-V273 HydrophobicContact CG2-CG1 4.16Å; V227-D274 PolarHBondContact O-N 3.15Å
228N90.5Very high93.4Very high78 Ų7853 Ų5342%0.41726%0.258SS..THydrogen-bonded Turntrans-93.611.6179.8-59-3.9000112.8S226 D274S226-N228 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact OG-N 2.69Å; N228-D274 WeakPolarHBondContact CA-OD2 3.44Å; N228-D274 VanDerWaalsContact CB-OD2 3.27Å; N228-D274 WeakPolarHBondContact CB-OD2 3.22Å
229K93.5Very high93.2Very high61 Ų6154.6 Ų54.627%0.26526%0.258SS..SBendtrans-138.9148.1-176.8-61.5-169.1176.3174.60109.3P218 N220 E224 V227P218-K229 HydrophobicContact CB-CB 4.18Å; P218-K229 HydrophobicContact CB-CD 4.13Å; P218-K229 HydrophobicContact CB-CG 3.7Å; P218-K229 CarbonylContact O-C 3.35Å; P218-K229 WeakPolarHBondContact O-CA 3.47Å; P218-K229 WeakPolarHBondContact O-CB 3.14Å; N220-K229 PolarHBondContact ND2-O 2.67Å; N220-K229 VanDerWaalsContact ND2-O 3.15Å; E224-K229 WeakPolarHBondContact OE1-CD 3.42Å; E224-K229 WeakPolarHBondContact OE1-CE 3.31Å; E224-K229 IonicContact OE1-NZ 2.67Å; E224-K229 PolarHBondContact OE1-NZ 3.2Å; E224-K229 IonicContact OE2-NZ 2.85Å; E224-K229 PolarHBondContact OE2-NZ 2.99Å; V227-K229 VanDerWaalsContact C-N 3.33Å
230I94.2Very high92.9Very high3 Ų359.8 Ų59.82%0.01528%0.282CS..BIsolated β-bridgetrans-60.8156.8173.660.8161.8000111.7F62 F203 V217 P218 I219 N220 F275F62-I230 HydrophobicContact CE2-CB 4.16Å; F62-I230 HydrophobicContact CE2-CD1 4.06Å; F62-I230 HydrophobicContact CZ-CD1 3.75Å; F203-I230 HydrophobicContact CD1-CD1 3.72Å; F203-I230 HydrophobicContact CD2-CD1 4.49Å; F203-I230 HydrophobicContact CE1-CD1 3.58Å; F203-I230 HydrophobicContact CE2-CD1 4.39Å; F203-I230 HydrophobicContact CG-CD1 4.15Å; F203-I230 HydrophobicContact CZ-CD1 3.91Å; V217-I230 HydrophobicContact CG2-CD1 3.69Å; V217-I230 HydrophobicContact CG2-CG1 4.14Å; P218-I230 WeakPolarHBondContact O-CG1 3.4Å; P218-I230 PolarHBondContact O-N 2.77Å; I219-I230 HydrophobicContact CB-CD1 4.34Å; I219-I230 HydrophobicContact CB-CG1 3.95Å; I219-I230 HydrophobicContact CD1-CD1 3.97Å; I219-I230 HydrophobicContact CD1-CG1 4.49Å; I219-I230 HydrophobicContact CG1-CD1 3.75Å; I219-I230 HydrophobicContact CG1-CG1 3.75Å; I219-I230 HydrophobicContact CG2-CD1 4.14Å; I219-I230 HydrophobicContact CG2-CG1 3.91Å; N220-I230 PolarHBondContact N-O 2.82Å; N220-I230 PolarHBondContact ND2-O 2.84Å; I230-F275 HydrophobicContact CG2-CB 3.52Å; I230-F275 HydrophobicContact CG2-CD1 3.64Å; I230-F275 HydrophobicContact CG2-CD2 3.68Å; I230-F275 HydrophobicContact CG2-CE1 4.26Å; I230-F275 HydrophobicContact CG2-CE2 4.31Å; I230-F275 HydrophobicContact CG2-CG 3.31Å
231G95.2Very high92.6Very high3 Ų365.4 Ų65.43%0.03130%0.303CS..  trans9015.3176.700000115.9R234G231-R234 WeakPolarHBondContact O-CG 3.44Å; G231-R234 PolarHBondContact O-NE 3.16Å; G231-R234 PolarHBondContact O-NH2 2.79Å
232W94.7Very high92.5Very high6 Ų661.8 Ų61.82%0.02329%0.29CS..  trans-81.8-23.1171.954.2-107.5000114P65 V227 I244 V273 D274P65-W232 HydrophobicContact CB-CH2 3.58Å; P65-W232 HydrophobicContact CB-CZ2 4.13Å; P65-W232 HydrophobicContact CB-CZ3 3.97Å; P65-W232 HydrophobicContact CG-CD2 4.44Å; P65-W232 HydrophobicContact CG-CE3 4.38Å; P65-W232 HydrophobicContact CG-CH2 3.12Å; P65-W232 HydrophobicContact CG-CZ2 3.15Å; P65-W232 HydrophobicContact CG-CZ3 3.75Å; V227-W232 PolarHBondContact O-NE1 3.27Å; W232-I244 HydrophobicContact CE3-CD1 4.09Å; W232-I244 HydrophobicContact CE3-CG1 4.17Å; W232-I244 HydrophobicContact CE3-CG2 4.32Å; W232-I244 HydrophobicContact CZ3-CD1 3.62Å; W232-I244 HydrophobicContact CZ3-CG1 4.17Å; W232-V273 HydrophobicContact CH2-CG2 4.38Å; W232-V273 HydrophobicContact CZ2-CB 4.16Å; W232-V273 HydrophobicContact CZ2-CG2 4Å; W232-D274 PolarHBondContact NE1-O 2.82Å; W232-D274 VanDerWaalsContact NE1-O 3.16Å
233F95.6Very high92.5Very high1 Ų158.8 Ų58.80%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-99.1101.6175-177.6-127.5000110.1F62 G63 P65 F97 V125 P127 W242 I244F62-F233 VanDerWaalsContact CA-O 3.3Å; F62-F233 WeakPolarHBondContact CA-O 3.46Å; F62-F233 VanDerWaalsContact CB-O 3.31Å; F62-F233 WeakPolarHBondContact CB-O 3.38Å; G63-F233 PolarHBondContact N-O 3.33Å; P65-F233 HydrophobicContact CB-CB 4.22Å; P65-F233 HydrophobicContact CB-CD1 4.03Å; P65-F233 HydrophobicContact CB-CG 4.18Å; P65-F233 HydrophobicContact CG-CB 4.25Å; F97-F233 HydrophobicContact CB-CE2 4.05Å; V125-F233 HydrophobicContact CB-CE2 4.24Å; V125-F233 HydrophobicContact CG1-CD2 4.13Å; V125-F233 HydrophobicContact CG1-CE2 3.91Å; V125-F233 HydrophobicContact CG1-CG 4.47Å; V125-F233 HydrophobicContact CG1-CZ 4.11Å; P127-F233 HydrophobicContact CB-CE1 4.2Å; F233-W242 HydrophobicContact CD1-CD2 4.47Å; F233-W242 AromaticContact CD1-CE3 3.99Å; F233-W242 HydrophobicContact CD1-CE3 3.99Å; F233-W242 HydrophobicContact CD1-CZ3 4.44Å; F233-W242 HydrophobicContact CD2-CB 4.37Å; F233-W242 HydrophobicContact CE1-CB 4.18Å; F233-W242 AromaticContact CE1-CD2 3.82Å; F233-W242 HydrophobicContact CE1-CD2 3.82Å; F233-W242 AromaticContact CE1-CE3 3.79Å; F233-W242 HydrophobicContact CE1-CE3 3.79Å; F233-W242 HydrophobicContact CE1-CG 4Å; F233-W242 HydrophobicContact CE1-CZ3 4.49Å; F233-W242 HydrophobicContact CE2-CB 3.44Å; F233-W242 VanDerWaalsContact CE2-CB 3.44Å; F233-W242 HydrophobicContact CE2-CG 4.17Å; F233-W242 HydrophobicContact CG-CE3 4.42Å; F233-W242 HydrophobicContact CZ-CB 3.32Å; F233-W242 AromaticContact CZ-CD2 3.89Å; F233-W242 HydrophobicContact CZ-CD2 3.89Å; F233-W242 HydrophobicContact CZ-CE3 4.1Å; F233-W242 AromaticContact CZ-CG 3.57Å; F233-W242 HydrophobicContact CZ-CG 3.57Å; F233-I244 HydrophobicContact CD2-CD1 4.24Å; F233-I244 HydrophobicContact CD2-CG1 3.7Å; F233-I244 HydrophobicContact CE2-CG1 4.42Å
234R95.5Very high92.5Very high25 Ų2552 Ų529%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-115.2149.1-165.5-64.7-172.8-177.7175.3-0.1112.7Y60 I61 F62 R221 F222 E224 H225 G231 W242 D243Y60-R234 HydrophobicContact CD2-CG 3.93Å; Y60-R234 HydrophobicContact CE2-CG 4.14Å; Y60-R234 VanDerWaalsContact CE2-NE 3.33Å; I61-R234 WeakPolarHBondContact O-CA 3.34Å; F62-R234 HydrophobicContact CB-CG 4.45Å; R221-R234 PolarHBondContact O-NH2 2.85Å; F222-R234 PolarHBondContact O-NH1 3.16Å; E224-R234 PolarHBondContact O-NH2 2.8Å; H225-R234 PolarHBondContact CE1-NH1 2.96Å; G231-R234 WeakPolarHBondContact O-CG 3.44Å; G231-R234 PolarHBondContact O-NE 3.16Å; G231-R234 PolarHBondContact O-NH2 2.79Å; R234-W242 VanDerWaalsContact C-CE3 3.49Å; R234-W242 WeakPolarHBondContact O-CA 3.43Å; R234-D243 PolarHBondContact N-O 2.95Å; R234-D243 PolarHBondContact O-N 3.11Å
235W94.1Very high92.4Very high39 Ų3955.4 Ų55.415%0.14826%0.257CS..EExtended strand (participates in β ladder)trans-82.1126.4169.4-177-104000109.5I61 Q240 W242I61-W235 HydrophobicContact CB-CB 3.94Å; I61-W235 HydrophobicContact CG2-CB 3.68Å; I61-W235 HydrophobicContact CG2-CG 4.39Å; I61-W235 PolarHBondContact O-N 2.87Å; W235-Q240 WeakPolarHBondContact CH2-O 3.48Å; W235-Q240 VanDerWaalsContact CZ2-C 3.48Å; W235-Q240 HydrophobicContact CZ2-CB 4.25Å; W235-W242 HydrophobicContact CB-CE3 4.11Å; W235-W242 HydrophobicContact CB-CH2 4.2Å; W235-W242 HydrophobicContact CB-CZ3 3.86Å; W235-W242 AromaticContact CE3-CD1 3.81Å; W235-W242 AromaticContact CE3-CD2 3.72Å; W235-W242 HydrophobicContact CE3-CD2 3.72Å; W235-W242 AromaticContact CE3-CE2 3.58Å; W235-W242 HydrophobicContact CE3-CE3 4.33Å; W235-W242 AromaticContact CE3-CG 3.87Å; W235-W242 HydrophobicContact CE3-CG 3.87Å; W235-W242 HydrophobicContact CE3-CZ2 4.13Å; W235-W242 AromaticContact CE3-NE1 3.62Å; W235-W242 AromaticContact CZ3-CD1 3.7Å; W235-W242 HydrophobicContact CZ3-CD2 4.38Å; W235-W242 HydrophobicContact CZ3-CG 4.16Å; W235-W242 AromaticContact CZ3-NE1 3.61Å
236Q91.4Very high92.5Very high46 Ų4658.6 Ų58.622%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-98.5104.1172-81.4-176.217.600108.6D238 K239 Q240 R241 D243Q236-D238 VanDerWaalsContact C-N 3.32Å; Q236-D238 WeakPolarHBondContact CB-OD1 3.24Å; Q236-D238 PolarHBondContact O-N 3.05Å; Q236-K239 HydrophobicContact CB-CB 4.29Å; Q236-K239 CarbonylContact O-C 3.55Å; Q236-K239 PolarHBondContact O-N 3.47Å; Q236-K239 VanDerWaalsContact OE1-CD 3.27Å; Q236-Q240 WeakPolarHBondContact O-CA 3.27Å; Q236-Q240 PolarHBondContact O-N 3.23Å; Q236-R241 PolarHBondContact N-O 3.39Å; Q236-R241 PolarHBondContact O-N 2.78Å; Q236-D243 HydrophobicContact CG-CB 4.15Å; Q236-D243 VanDerWaalsContact NE2-CB 3.3Å; Q236-D243 PolarHBondContact NE2-OD2 2.93Å; Q236-D243 PolarHBondContact OE1-OD2 3.46Å
237E87Confident92.3Very high141 Ų14156.8 Ų56.866%0.65926%0.262SS*.THydrogen-bonded Turntrans-66.4-34.3-176.6-167.3170.1-16000112.3K239 Q240E237-K239 VanDerWaalsContact C-N 3.3Å; E237-K239 PolarHBondContact O-N 2.77Å; E237-Q240 PolarHBondContact O-N 3.29Å; E237-Q240 PolarHBondContact O-NE2 2.9Å
238D89Confident92.4Very high127 Ų12760.9 Ų60.968%0.67928%0.275SS*.THydrogen-bonded Turntrans-61.6-35.5174.161.9-40.8000112.9Q236Q236-D238 VanDerWaalsContact C-N 3.32Å; Q236-D238 WeakPolarHBondContact CB-OD1 3.24Å; Q236-D238 PolarHBondContact O-N 3.05Å
239K87.9Confident92.5Very high102 Ų10262.1 Ų62.144%0.44328%0.28SS..THydrogen-bonded Turntrans-105-1.7-178.2-62.7-178.9-157.1146.20114Q236 E237 R241Q236-K239 HydrophobicContact CB-CB 4.29Å; Q236-K239 CarbonylContact O-C 3.55Å; Q236-K239 PolarHBondContact O-N 3.47Å; Q236-K239 VanDerWaalsContact OE1-CD 3.27Å; E237-K239 VanDerWaalsContact C-N 3.3Å; E237-K239 PolarHBondContact O-N 2.77Å; K239-R241 HydrophobicContact CB-CG 3.84Å; K239-R241 PolarHBondContact O-N 3.26Å
240Q89.6Confident92.5Very high125 Ų12562 Ų6258%0.58428%0.28SS*.THydrogen-bonded Turntrans47.242.9-175.7-65.5-68.5-51.100113W235 Q236 E237W235-Q240 WeakPolarHBondContact CH2-O 3.48Å; W235-Q240 VanDerWaalsContact CZ2-C 3.48Å; W235-Q240 HydrophobicContact CZ2-CB 4.25Å; Q236-Q240 WeakPolarHBondContact O-CA 3.27Å; Q236-Q240 PolarHBondContact O-N 3.23Å; E237-Q240 PolarHBondContact O-N 3.29Å; E237-Q240 PolarHBondContact O-NE2 2.9Å
241R91.7Very high92.4Very high118 Ų11862.1 Ų62.145%0.44528%0.28SS..EExtended strand (participates in β ladder)trans-146.8159-178.274-175.4-170.8-179.93.5112.5Q236 K239Q236-R241 PolarHBondContact N-O 3.39Å; Q236-R241 PolarHBondContact O-N 2.78Å; K239-R241 HydrophobicContact CB-CG 3.84Å; K239-R241 PolarHBondContact O-N 3.26Å
242W93Very high92.3Very high20 Ų2063.1 Ų63.18%0.07628%0.284CS..EExtended strand (participates in β ladder)trans-77.5139.9168.3-65.3101.3000111.3I61 F62 P127 R132 F233 R234 W235I61-W242 HydrophobicContact CG2-CH2 4.46Å; F62-W242 VanDerWaalsContact C-CZ3 3.48Å; P127-W242 HydrophobicContact CB-CZ2 3.91Å; P127-W242 HydrophobicContact CG-CZ2 4.19Å; R132-W242 HydrophobicContact CG-CH2 4.14Å; R132-W242 HydrophobicContact CG-CZ2 3.97Å; F233-W242 HydrophobicContact CD1-CD2 4.47Å; F233-W242 AromaticContact CD1-CE3 3.99Å; F233-W242 HydrophobicContact CD1-CE3 3.99Å; F233-W242 HydrophobicContact CD1-CZ3 4.44Å; F233-W242 HydrophobicContact CD2-CB 4.37Å; F233-W242 HydrophobicContact CE1-CB 4.18Å; F233-W242 AromaticContact CE1-CD2 3.82Å; F233-W242 HydrophobicContact CE1-CD2 3.82Å; F233-W242 AromaticContact CE1-CE3 3.79Å; F233-W242 HydrophobicContact CE1-CE3 3.79Å; F233-W242 HydrophobicContact CE1-CG 4Å; F233-W242 HydrophobicContact CE1-CZ3 4.49Å; F233-W242 HydrophobicContact CE2-CB 3.44Å; F233-W242 VanDerWaalsContact CE2-CB 3.44Å; F233-W242 HydrophobicContact CE2-CG 4.17Å; F233-W242 HydrophobicContact CG-CE3 4.42Å; F233-W242 HydrophobicContact CZ-CB 3.32Å; F233-W242 AromaticContact CZ-CD2 3.89Å; F233-W242 HydrophobicContact CZ-CD2 3.89Å; F233-W242 HydrophobicContact CZ-CE3 4.1Å; F233-W242 AromaticContact CZ-CG 3.57Å; F233-W242 HydrophobicContact CZ-CG 3.57Å; R234-W242 VanDerWaalsContact C-CE3 3.49Å; R234-W242 WeakPolarHBondContact O-CA 3.43Å; W235-W242 HydrophobicContact CB-CE3 4.11Å; W235-W242 HydrophobicContact CB-CH2 4.2Å; W235-W242 HydrophobicContact CB-CZ3 3.86Å; W235-W242 AromaticContact CE3-CD1 3.81Å; W235-W242 AromaticContact CE3-CD2 3.72Å; W235-W242 HydrophobicContact CE3-CD2 3.72Å; W235-W242 AromaticContact CE3-CE2 3.58Å; W235-W242 HydrophobicContact CE3-CE3 4.33Å; W235-W242 AromaticContact CE3-CG 3.87Å; W235-W242 HydrophobicContact CE3-CG 3.87Å; W235-W242 HydrophobicContact CE3-CZ2 4.13Å; W235-W242 AromaticContact CE3-NE1 3.62Å; W235-W242 AromaticContact CZ3-CD1 3.7Å; W235-W242 HydrophobicContact CZ3-CD2 4.38Å; W235-W242 HydrophobicContact CZ3-CG 4.16Å; W235-W242 AromaticContact CZ3-NE1 3.61Å
243D93.3Very high92.3Very high26 Ų2666.2 Ų66.214%0.13931%0.311CS..EExtended strand (participates in β ladder)trans-144.7154.1-179.5-1608.4000112.1F97 R234 Q236F97-D243 WeakPolarHBondContact CD2-OD1 3.33Å; F97-D243 WeakPolarHBondContact CE2-OD1 3.42Å; R234-D243 PolarHBondContact N-O 2.95Å; R234-D243 PolarHBondContact O-N 3.11Å; Q236-D243 HydrophobicContact CG-CB 4.15Å; Q236-D243 VanDerWaalsContact NE2-CB 3.3Å; Q236-D243 PolarHBondContact NE2-OD2 2.93Å; Q236-D243 PolarHBondContact OE1-OD2 3.46Å
244I94.1Very high92.1Very high5 Ų566.5 Ų66.53%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-119.7118.5172.6-57.1172.2000107.1F97 V125 W232 F233 N246 G247 I251F97-I244 HydrophobicContact CD1-CB 4.44Å; F97-I244 HydrophobicContact CD1-CD1 3.58Å; F97-I244 HydrophobicContact CD1-CG1 4.03Å; F97-I244 HydrophobicContact CD2-CG1 4.5Å; F97-I244 HydrophobicContact CE1-CB 4.15Å; F97-I244 HydrophobicContact CE1-CD1 3.76Å; F97-I244 HydrophobicContact CE1-CG1 4.2Å; F97-I244 HydrophobicContact CE2-CB 4.24Å; F97-I244 HydrophobicContact CG-CD1 4.19Å; F97-I244 HydrophobicContact CG-CG1 4.18Å; F97-I244 HydrophobicContact CZ-CB 4.06Å; V125-I244 HydrophobicContact CB-CD1 4.39Å; V125-I244 HydrophobicContact CG1-CD1 4.31Å; V125-I244 HydrophobicContact CG2-CD1 3.96Å; W232-I244 HydrophobicContact CE3-CD1 4.09Å; W232-I244 HydrophobicContact CE3-CG1 4.17Å; W232-I244 HydrophobicContact CE3-CG2 4.32Å; W232-I244 HydrophobicContact CZ3-CD1 3.62Å; W232-I244 HydrophobicContact CZ3-CG1 4.17Å; F233-I244 HydrophobicContact CD2-CD1 4.24Å; F233-I244 HydrophobicContact CD2-CG1 3.7Å; F233-I244 HydrophobicContact CE2-CG1 4.42Å; I244-N246 PolarHBondContact O-N 2.99Å; I244-N246 VanDerWaalsContact O-N 3.15Å; I244-G247 WeakPolarHBondContact O-CA 3.23Å; I244-G247 PolarHBondContact O-N 2.88Å; I244-I251 HydrophobicContact CD1-CD1 4.29Å
245R93Very high92Very high131 Ų13165.4 Ų65.449%0.49431%0.31SS..THydrogen-bonded Turntrans-62.1122.1178.5-171.7179-178.7176.9-1.5110.4H225 G247 K250H225-R245 WeakPolarHBondContact CD2-CD 3.32Å; H225-R245 PolarHBondContact CD2-NH1 3.22Å; H225-R245 VanDerWaalsContact CD2-NH1 3.29Å; H225-R245 VanDerWaalsContact CE1-CD 3.44Å; H225-R245 WeakPolarHBondContact CE1-CD 3.3Å; H225-R245 WeakPolarHBondContact NE2-CD 3.33Å; H225-R245 PolarHBondContact NE2-NH1 3.36Å; R245-G247 PolarHBondContact O-N 3.08Å; R245-K250 PolarHBondContact O-NZ 2.85Å
246N92.7Very high92Very high102 Ų10268.1 Ų68.155%0.54532%0.323SS..THydrogen-bonded Turntrans57.230-171.9-58.6-15.5000113.1I244 R248 I249 K250I244-N246 PolarHBondContact O-N 2.99Å; I244-N246 VanDerWaalsContact O-N 3.15Å; N246-R248 VanDerWaalsContact C-N 3.26Å; N246-R248 PolarHBondContact O-N 3.02Å; N246-I249 PolarHBondContact O-N 2.87Å; N246-K250 PolarHBondContact O-N 2.96Å
247G91.6Very high92Very high2 Ų266.6 Ų66.62%0.02132%0.316CS..Hα-helixtrans-58.2-34.5-173.800000113.8I244 R245 I249 K250 I251I244-G247 WeakPolarHBondContact O-CA 3.23Å; I244-G247 PolarHBondContact O-N 2.88Å; R245-G247 PolarHBondContact O-N 3.08Å; G247-I249 VanDerWaalsContact C-N 3.28Å; G247-I249 PolarHBondContact O-N 3.17Å; G247-K250 PolarHBondContact O-N 3.4Å; G247-I251 VanDerWaalsContact O-CB 3.25Å; G247-I251 WeakPolarHBondContact O-CB 3.21Å; G247-I251 WeakPolarHBondContact O-CG1 3.34Å; G247-I251 PolarHBondContact O-N 3.18Å
248R92.6Very high92.2Very high118 Ų11864.4 Ų64.445%0.44531%0.306SS..Hα-helixtrans-55.3-42.8174.2-65.6169.1-177.6-173.17112.6Y88 N90 V99 N246 Q252Y88-R248 VanDerWaalsContact O-CD 3.32Å; Y88-R248 WeakPolarHBondContact O-CD 3.1Å; N90-R248 VanDerWaalsContact CG-NH2 3.3Å; N90-R248 PolarHBondContact ND2-NH2 3.12Å; N90-R248 PolarHBondContact OD1-NE 2.9Å; N90-R248 PolarHBondContact OD1-NH2 3.34Å; V99-R248 HydrophobicContact CG1-CG 3.82Å; N246-R248 VanDerWaalsContact C-N 3.26Å; N246-R248 PolarHBondContact O-N 3.02Å; R248-Q252 VanDerWaalsContact O-CB 3.31Å; R248-Q252 WeakPolarHBondContact O-CB 3.37Å; R248-Q252 PolarHBondContact O-N 2.75Å
249I92.9Very high92.4Very high103 Ų10358.5 Ų58.553%0.52827%0.274SS..Hα-helixtrans-78.9-45.6-178.8-60.7170.6000110Y88 N246 G247 Q252 A253Y88-I249 HydrophobicContact CD1-CG1 4.32Å; Y88-I249 HydrophobicContact CE1-CG1 4.46Å; N246-I249 PolarHBondContact O-N 2.87Å; G247-I249 VanDerWaalsContact C-N 3.28Å; G247-I249 PolarHBondContact O-N 3.17Å; I249-Q252 PolarHBondContact O-N 2.82Å; I249-A253 WeakPolarHBondContact O-CB 3.4Å; I249-A253 PolarHBondContact O-N 2.69Å
250K92.7Very high92.6Very high60 Ų6058.8 Ų58.826%0.26127%0.272SS..Hα-helixtrans-68.2-40.9-175.4-71.2-179.5176.1173.30113.4H225 V227 R245 N246 G247 A253 G254H225-K250 PolarHBondContact O-NZ 3.23Å; V227-K250 HydrophobicContact CG1-CD 3.96Å; R245-K250 PolarHBondContact O-NZ 2.85Å; N246-K250 PolarHBondContact O-N 2.96Å; G247-K250 PolarHBondContact O-N 3.4Å; K250-A253 PolarHBondContact O-N 2.92Å; K250-G254 PolarHBondContact O-N 3.18Å
251I93.3Very high92.7Very high5 Ų554.1 Ų54.13%0.02625%0.251CS..Hα-helixtrans-70.1-42.1178.2-61.7-63.9000110F97 V99 T101 V123 I244 G247 A253 G254 H255F97-I251 HydrophobicContact CE1-CG1 4.49Å; V99-I251 HydrophobicContact CG2-CB 3.7Å; V99-I251 HydrophobicContact CG2-CG1 3.95Å; V99-I251 HydrophobicContact CG2-CG2 3.58Å; T101-I251 HydrophobicContact CG2-CG2 3.9Å; V123-I251 HydrophobicContact CB-CG2 3.88Å; V123-I251 HydrophobicContact CG1-CG2 3.83Å; V123-I251 HydrophobicContact CG2-CG2 3.98Å; I244-I251 HydrophobicContact CD1-CD1 4.29Å; G247-I251 VanDerWaalsContact O-CB 3.25Å; G247-I251 WeakPolarHBondContact O-CB 3.21Å; G247-I251 WeakPolarHBondContact O-CG1 3.34Å; G247-I251 PolarHBondContact O-N 3.18Å; I251-A253 VanDerWaalsContact C-N 3.28Å; I251-A253 PolarHBondContact O-N 3.47Å; I251-G254 PolarHBondContact O-N 2.89Å; I251-H255 WeakPolarHBondContact O-CB 3.42Å; I251-H255 PolarHBondContact O-N 3.26Å
252Q93.8Very high92.7Very high24 Ų2448.5 Ų48.511%0.11223%0.23CC..Hα-helixtrans-58.2-39.4173.6177.167.267.100112.5S87 Y88 T101 Y102 R248 I249S87-Q252 PolarHBondContact OG-OE1 2.83Å; Y88-Q252 HydrophobicContact CD1-CB 4.1Å; Y88-Q252 HydrophobicContact CD1-CG 4.2Å; Y88-Q252 HydrophobicContact CE1-CB 3.71Å; Y88-Q252 HydrophobicContact CE1-CG 3.52Å; Y88-Q252 HydrophobicContact CE2-CG 4.47Å; T101-Q252 HydrophobicContact CG2-CB 4.36Å; Y102-Q252 PolarHBondContact O-NE2 3.32Å; R248-Q252 VanDerWaalsContact O-CB 3.31Å; R248-Q252 WeakPolarHBondContact O-CB 3.37Å; R248-Q252 PolarHBondContact O-N 2.75Å; I249-Q252 PolarHBondContact O-N 2.82Å
253A92.8Very high92.4Very high70 Ų7052.8 Ų52.858%0.57925%0.251SS*.Hα-helixtrans-80.1-24.1179.800000114.2I249 K250 I251I249-A253 WeakPolarHBondContact O-CB 3.4Å; I249-A253 PolarHBondContact O-N 2.69Å; K250-A253 PolarHBondContact O-N 2.92Å; I251-A253 VanDerWaalsContact C-N 3.28Å; I251-A253 PolarHBondContact O-N 3.47Å
254G91.9Very high92.2Very high7 Ų756.2 Ų56.27%0.07227%0.267CS..Hα-helixtrans-104.3-12.5-175.700000114.9K250 I251 F256 Y271 N272K250-G254 PolarHBondContact O-N 3.18Å; I251-G254 PolarHBondContact O-N 2.89Å; G254-F256 WeakPolarHBondContact O-CD2 3.49Å; G254-Y271 CarbonylContact O-C 3.5Å; G254-Y271 WeakPolarHBondContact O-CA 3.48Å; G254-N272 PolarHBondContact O-N 2.99Å
255H93.9Very high92.1Very high2 Ų256.6 Ų56.61%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-83.2114.9176.5-177.4-157.2000108.8T101 H103 I251 L257 E269 Y271T101-H255 HydrophobicContact CG2-CB 4.35Å; T101-H255 PolarHBondContact OG1-ND1 2.73Å; H103-H255 PolarHBondContact CE1-O 3.45Å; H103-H255 AromaticContact NE2-CG 3.99Å; H103-H255 AromaticContact NE2-ND1 3.54Å; I251-H255 WeakPolarHBondContact O-CB 3.42Å; I251-H255 PolarHBondContact O-N 3.26Å; H255-L257 WeakPolarHBondContact NE2-CD2 2.95Å; H255-E269 IonicContact NE2-OE2 3.78Å; H255-Y271 HydrophobicContact CB-CD1 4.29Å; H255-Y271 HydrophobicContact CB-CE1 4.19Å; H255-Y271 AromaticContact CD2-CE1 3.47Å; H255-Y271 VanDerWaalsContact CD2-CE1 3.47Å; H255-Y271 WeakPolarHBondContact CD2-CE1 3.48Å; H255-Y271 AromaticContact CD2-CZ 3.79Å; H255-Y271 AromaticContact CG-CE1 3.91Å
256F93.5Very high92.1Very high96 Ų9653.8 Ų53.842%0.42126%0.26SS..EExtended strand (participates in β ladder)trans-110.2132.7177.4-71.4-82.7000109.7G254 E269 T270 N272 W456G254-F256 WeakPolarHBondContact O-CD2 3.49Å; F256-E269 CarbonylContact O-C 3.59Å; F256-E269 WeakPolarHBondContact O-CA 3.46Å; F256-T270 HydrophobicContact CB-CG2 3.75Å; F256-T270 PolarHBondContact N-O 3.13Å; F256-T270 PolarHBondContact O-N 2.99Å; F256-N272 HydrophobicContact CD2-CB 4.09Å; F256-N272 HydrophobicContact CE2-CB 3.64Å; F256-W456 HydrophobicContact CB-CH2 4.05Å
257L92.6Very high92.1Very high14 Ų1449.1 Ų49.17%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-126151.2179.7-68.8171.1000110.3H103 L119 C121 H255 Y267 S268 E269H103-L257 HydrophobicContact CB-CD1 4.48Å; H103-L257 WeakPolarHBondContact CD2-CD1 3.26Å; L119-L257 HydrophobicContact CB-CD1 4.27Å; L119-L257 HydrophobicContact CD2-CB 4.5Å; L119-L257 HydrophobicContact CD2-CD1 4Å; C121-L257 WeakPolarHBondContact SG-CD1 3.21Å; H255-L257 WeakPolarHBondContact NE2-CD2 2.95Å; L257-Y267 HydrophobicContact CD2-CD2 3.66Å; L257-Y267 HydrophobicContact CD2-CE2 4.09Å; L257-S268 CarbonylContact C-O 3.53Å; L257-S268 WeakPolarHBondContact CA-O 3.2Å; L257-E269 HydrophobicContact CD2-CB 3.62Å
258H91.3Very high92.1Very high96 Ų9649.4 Ų49.444%0.44424%0.237SC..EExtended strand (participates in β ladder)trans-140.2123.4169.3179.172.1000109.4Y267 S268 W456H258-Y267 CarbonylContact O-C 3.57Å; H258-Y267 WeakPolarHBondContact O-CA 3.28Å; H258-S268 PolarHBondContact N-O 3Å; H258-S268 PolarHBondContact O-N 3.38Å; H258-S268 PolarHBondContact O-OG 3.39Å; H258-W456 HydrophobicContact CB-CH2 4.2Å; H258-W456 HydrophobicContact CB-CZ3 3.91Å
259T92.5Very high92.1Very high2 Ų244.7 Ų44.71%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-73.5128-179.5-54.90000110.6Q106 L119 C262Q106-T259 WeakPolarHBondContact CB-OG1 3.37Å; Q106-T259 PolarHBondContact OE1-OG1 2.92Å; L119-T259 HydrophobicContact CD1-CG2 4.45Å; L119-T259 WeakPolarHBondContact CD1-OG1 3.2Å; T259-C262 HydrophobicContact CG2-CB 3.98Å
260R92.4Very high92Very high108 Ų10840.7 Ų40.741%0.40820%0.2SC..EExtended strand (participates in β ladder)trans-96.4-50.7172-69.7-171.3164.7-152.1-1.2111.2T109 E266 Q458T109-R260 WeakPolarHBondContact CB-O 3.33Å; T109-R260 WeakPolarHBondContact CG2-O 3.24Å; R260-E266 HydrophobicContact CB-CB 4.12Å; R260-E266 PolarHBondContact N-O 2.88Å; R260-Q458 VanDerWaalsContact CZ-NE2 3.27Å
261N92.1Very high91.9Very high27 Ų2738.3 Ų38.314%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-148.8106.6175.6-172.2-32.6000109.3T109 Q263 Q264 Q265 E266T109-N261 CarbonylContact O-C 3.59Å; T109-N261 WeakPolarHBondContact O-CA 3.44Å; N261-Q263 PolarHBondContact OD1-N 3.38Å; N261-Q263 VanDerWaalsContact OD1-N 3.12Å; N261-Q264 HydrophobicContact CB-CB 4.05Å; N261-Q264 HydrophobicContact CB-CG 4.49Å; N261-Q264 PolarHBondContact ND2-OE1 2.86Å; N261-Q264 PolarHBondContact O-N 3Å; N261-Q264 PolarHBondContact OD1-N 2.86Å; N261-Q265 PolarHBondContact O-N 2.89Å; N261-E266 HydrophobicContact CB-CB 4.21Å; N261-E266 PolarHBondContact N-O 2.8Å; N261-E266 VanDerWaalsContact N-O 3.07Å; N261-E266 PolarHBondContact O-N 2.77Å
262C90.8Very high91.8Very high0 Ų042.4 Ų42.40%021%0.212CC..THydrogen-bonded Turntrans-65-41.9-177.9-168.80000111.7C73 C75 T109 T259 Q264 Q265 N467C73-C262 VanDerWaalsContact C-SG 3.51Å; C73-C262 HydrophobicContact CB-CB 4.02Å; C73-C262 WeakPolarHBondContact CB-SG 3.33Å; C73-C262 VanDerWaalsContact SG-CA 3.5Å; C73-C262 WeakPolarHBondContact SG-CB 3.46Å; C73-C262 CovalentContact SG-SG 2.03Å; C73-C262 PolarHBondContact SG-SG 3Å; C75-C262 VanDerWaalsContact SG-SG 3.69Å; T109-C262 PolarHBondContact O-N 3.17Å; T259-C262 HydrophobicContact CG2-CB 3.98Å; C262-Q264 VanDerWaalsContact C-N 3.29Å; C262-Q264 PolarHBondContact O-N 2.89Å; C262-Q265 PolarHBondContact O-N 2.9Å; C262-Q265 PolarHBondContact O-NE2 2.8Å; C262-N467 PolarHBondContact O-ND2 3.4Å
263Q87.2Confident91.5Very high110 Ų11041.5 Ų41.551%0.51421%0.208SC..THydrogen-bonded Turntrans-63.7-35.9179.4-171.9-178.922.900112G110 N261 Q265G110-Q263 VanDerWaalsContact O-CB 3.29Å; G110-Q263 WeakPolarHBondContact O-CB 3.33Å; G110-Q263 PolarHBondContact O-OE1 2.7Å; N261-Q263 PolarHBondContact OD1-N 3.38Å; N261-Q263 VanDerWaalsContact OD1-N 3.12Å; Q263-Q265 VanDerWaalsContact C-N 3.32Å
264Q89.6Confident91.3Very high99 Ų9939.7 Ų39.746%0.46319%0.188SC..THydrogen-bonded Turntrans-881177-65.4177.4-24.800113.7N261 C262 E266 Q460N261-Q264 HydrophobicContact CB-CB 4.05Å; N261-Q264 HydrophobicContact CB-CG 4.49Å; N261-Q264 PolarHBondContact ND2-OE1 2.86Å; N261-Q264 PolarHBondContact O-N 3Å; N261-Q264 PolarHBondContact OD1-N 2.86Å; C262-Q264 VanDerWaalsContact C-N 3.29Å; C262-Q264 PolarHBondContact O-N 2.89Å; Q264-E266 HydrophobicContact CB-CG 3.97Å; Q264-E266 PolarHBondContact O-N 3.46Å; Q264-Q460 PolarHBondContact O-NE2 2.92Å; Q264-Q460 VanDerWaalsContact O-NE2 3.14Å
265Q91.5Very high91Very high13 Ų1340 Ų406%0.06119%0.188CC..THydrogen-bonded Turntrans57.833.6-176-56.1-70.2-64.100113I72 C73 N261 C262 Q263 Q460 G461 N467I72-Q265 VanDerWaalsContact CA-OE1 3.23Å; C73-Q265 PolarHBondContact O-NE2 2.77Å; N261-Q265 PolarHBondContact O-N 2.89Å; C262-Q265 PolarHBondContact O-N 2.9Å; C262-Q265 PolarHBondContact O-NE2 2.8Å; Q263-Q265 VanDerWaalsContact C-N 3.32Å; Q265-Q460 WeakPolarHBondContact O-CA 3.33Å; Q265-G461 PolarHBondContact O-N 3.44Å; Q265-N467 PolarHBondContact NE2-ND2 2.84Å; Q265-N467 VanDerWaalsContact NE2-ND2 3.15Å
266E92.9Very high90.8Very high71 Ų7141.2 Ų41.233%0.33219%0.192SC..EExtended strand (participates in β ladder)trans-96.4128.9179.7-64.5-175.6174.400111.6R260 N261 Q264 Q460R260-E266 HydrophobicContact CB-CB 4.12Å; R260-E266 PolarHBondContact N-O 2.88Å; N261-E266 HydrophobicContact CB-CB 4.21Å; N261-E266 PolarHBondContact N-O 2.8Å; N261-E266 VanDerWaalsContact N-O 3.07Å; N261-E266 PolarHBondContact O-N 2.77Å; Q264-E266 HydrophobicContact CB-CG 3.97Å; Q264-E266 PolarHBondContact O-N 3.46Å; E266-Q460 HydrophobicContact CG-CG 4.37Å
267Y92.7Very high90.3Very high5 Ų536.9 Ų36.92%0.0217%0.174CC..EExtended strand (participates in β ladder)trans-143.3159.4179.959.4-85.8000111.1S69 C71 L119 L257 H258 E269 A459S69-Y267 PolarHBondContact O-OH 2.99Å; S69-Y267 PolarHBondContact OG-OH 2.77Å; C71-Y267 HydrophobicContact CB-CD1 3.96Å; C71-Y267 HydrophobicContact CB-CD2 4.45Å; C71-Y267 HydrophobicContact CB-CE1 3.49Å; C71-Y267 VanDerWaalsContact CB-CE1 3.49Å; C71-Y267 HydrophobicContact CB-CE2 4.01Å; C71-Y267 HydrophobicContact CB-CG 4.42Å; C71-Y267 PolarHBondContact N-OH 2.62Å; C71-Y267 VanDerWaalsContact SG-CE2 3.53Å; C71-Y267 VanDerWaalsContact SG-CZ 3.57Å; L119-Y267 HydrophobicContact CD2-CG 4.49Å; L257-Y267 HydrophobicContact CD2-CD2 3.66Å; L257-Y267 HydrophobicContact CD2-CE2 4.09Å; H258-Y267 CarbonylContact O-C 3.57Å; H258-Y267 WeakPolarHBondContact O-CA 3.28Å; Y267-E269 HydrophobicContact CD2-CB 4.33Å; Y267-E269 HydrophobicContact CE2-CB 4.33Å; Y267-A459 HydrophobicContact CD2-CB 4.18Å; Y267-A459 HydrophobicContact CE1-CB 4.19Å; Y267-A459 HydrophobicContact CE2-CB 3.58Å; Y267-A459 PolarHBondContact N-O 3.26Å; Y267-A459 PolarHBondContact O-N 3.25Å
268S91.8Very high89.2Confident7 Ų738.3 Ų38.35%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-110.1136.3164.551.50000109.8L257 H258 W456 V457L257-S268 CarbonylContact C-O 3.53Å; L257-S268 WeakPolarHBondContact CA-O 3.2Å; H258-S268 PolarHBondContact N-O 3Å; H258-S268 PolarHBondContact O-N 3.38Å; H258-S268 PolarHBondContact O-OG 3.39Å; S268-W456 WeakPolarHBondContact O-CZ3 3.21Å; S268-V457 CarbonylContact C-O 3.6Å; S268-V457 VanDerWaalsContact CA-O 3.25Å; S268-V457 WeakPolarHBondContact CA-O 3.22Å
269E91.6Very high88Confident20 Ų2036.4 Ų36.49%0.09318%0.184CC..EExtended strand (participates in β ladder)trans-119.2150.3-179.967.9173.4153.600111.8S69 H255 F256 L257 Y267 Y271 W456 V457S69-E269 WeakPolarHBondContact CB-OE2 3.47Å; S69-E269 PolarHBondContact OG-OE1 2.92Å; S69-E269 PolarHBondContact OG-OE2 3.3Å; H255-E269 IonicContact NE2-OE2 3.78Å; F256-E269 CarbonylContact O-C 3.59Å; F256-E269 WeakPolarHBondContact O-CA 3.46Å; L257-E269 HydrophobicContact CD2-CB 3.62Å; Y267-E269 HydrophobicContact CD2-CB 4.33Å; Y267-E269 HydrophobicContact CE2-CB 4.33Å; E269-Y271 HydrophobicContact CG-CE2 4.48Å; E269-Y271 WeakPolarHBondContact OE2-CE2 3.43Å; E269-Y271 VanDerWaalsContact OE2-CZ 3.29Å; E269-Y271 PolarHBondContact OE2-OH 2.82Å; E269-W456 WeakPolarHBondContact O-CA 3Å; E269-V457 HydrophobicContact CG-CB 4.28Å; E269-V457 PolarHBondContact N-O 2.83Å; E269-V457 PolarHBondContact O-N 3.38Å
270T91.1Very high86.2Confident19 Ų1941.2 Ų41.212%0.11721%0.213CC..EExtended strand (participates in β ladder)trans-149160.9164.6-163.80000110F256 G455 W456F256-T270 HydrophobicContact CB-CG2 3.75Å; F256-T270 PolarHBondContact N-O 3.13Å; F256-T270 PolarHBondContact O-N 2.99Å; T270-G455 PolarHBondContact OG1-O 3.24Å; T270-G455 VanDerWaalsContact OG1-O 3.06Å; T270-W456 HydrophobicContact CG2-CD2 3.9Å; T270-W456 HydrophobicContact CG2-CE3 4.03Å; T270-W456 HydrophobicContact CG2-CH2 3.93Å; T270-W456 HydrophobicContact CG2-CZ2 3.75Å; T270-W456 HydrophobicContact CG2-CZ3 4.05Å
271Y90.6Very high84.3Confident10 Ų1043.3 Ų43.34%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-123.5128.3179.7-60.7-90000109.8L67 S69 V123 G254 H255 E269 V273 Y276L67-Y271 HydrophobicContact CB-CE2 4.17Å; L67-Y271 HydrophobicContact CD1-CD1 3.99Å; L67-Y271 HydrophobicContact CD1-CD2 3.99Å; L67-Y271 HydrophobicContact CD1-CE1 4.36Å; L67-Y271 HydrophobicContact CD1-CE2 4.4Å; L67-Y271 HydrophobicContact CD1-CG 3.78Å; S69-Y271 WeakPolarHBondContact CB-OH 3.37Å; V123-Y271 HydrophobicContact CG1-CE1 3.95Å; G254-Y271 CarbonylContact O-C 3.5Å; G254-Y271 WeakPolarHBondContact O-CA 3.48Å; H255-Y271 HydrophobicContact CB-CD1 4.29Å; H255-Y271 HydrophobicContact CB-CE1 4.19Å; H255-Y271 AromaticContact CD2-CE1 3.47Å; H255-Y271 VanDerWaalsContact CD2-CE1 3.47Å; H255-Y271 WeakPolarHBondContact CD2-CE1 3.48Å; H255-Y271 AromaticContact CD2-CZ 3.79Å; H255-Y271 AromaticContact CG-CE1 3.91Å; E269-Y271 HydrophobicContact CG-CE2 4.48Å; E269-Y271 WeakPolarHBondContact OE2-CE2 3.43Å; E269-Y271 VanDerWaalsContact OE2-CZ 3.29Å; E269-Y271 PolarHBondContact OE2-OH 2.82Å; Y271-V273 PolarHBondContact O-N 2.98Å; Y271-Y276 HydrophobicContact CD2-CE2 4.1Å
272N90.4Very high81.8Confident91 Ų9151.3 Ų51.349%0.48726%0.258SS..SBendtrans-81.763.2170.2-174.319.2000110.2G254 F256G254-N272 PolarHBondContact O-N 2.99Å; F256-N272 HydrophobicContact CD2-CB 4.09Å; F256-N272 HydrophobicContact CE2-CB 3.64Å
273V89.1Confident79.4Confident5 Ų560.3 Ų60.33%0.0330%0.3CS..  trans-144151.4175.6-54.30000109.2L67 V227 W232 Y271 Y276L67-V273 HydrophobicContact CD1-CG2 3.93Å; V227-V273 HydrophobicContact CB-CB 4.19Å; V227-V273 HydrophobicContact CB-CG1 3.85Å; V227-V273 HydrophobicContact CG1-CG1 4.34Å; V227-V273 HydrophobicContact CG2-CG1 4.16Å; W232-V273 HydrophobicContact CH2-CG2 4.38Å; W232-V273 HydrophobicContact CZ2-CB 4.16Å; W232-V273 HydrophobicContact CZ2-CG2 4Å; Y271-V273 PolarHBondContact O-N 2.98Å; V273-Y276 HydrophobicContact CG2-CD1 3.57Å; V273-Y276 HydrophobicContact CG2-CE1 4.01Å; V273-Y276 HydrophobicContact CG2-CG 4.13Å; V273-Y276 WeakPolarHBondContact O-CD1 3.15Å; V273-Y276 WeakPolarHBondContact O-CE1 3.35Å
274D87.9Confident77.2Confident31 Ų3163.5 Ų63.517%0.16632%0.315CS..SBendtrans-103159.5178.2-68.8-32.9000111.8V227 N228 W232 M452 H454V227-D274 PolarHBondContact O-N 3.15Å; N228-D274 WeakPolarHBondContact CA-OD2 3.44Å; N228-D274 VanDerWaalsContact CB-OD2 3.27Å; N228-D274 WeakPolarHBondContact CB-OD2 3.22Å; W232-D274 PolarHBondContact NE1-O 2.82Å; W232-D274 VanDerWaalsContact NE1-O 3.16Å; D274-M452 HydrophobicContact CB-CE 3.43Å; D274-M452 VanDerWaalsContact CB-CE 3.43Å; D274-H454 IonicContact OD1-CE1 3.4Å; D274-H454 PolarHBondContact OD1-CE1 2.87Å; D274-H454 VanDerWaalsContact OD1-CE1 3.29Å; D274-H454 IonicContact OD1-NE2 2.68Å
275F86.6Confident74.9Confident13 Ų1363.8 Ų63.86%0.05733%0.328CS..SBendtrans58.847.9173.5-55.2-81.3000114.1P65 V217 I230 M452P65-F275 WeakPolarHBondContact CD-O 3.41Å; V217-F275 HydrophobicContact CB-CE1 3.96Å; V217-F275 HydrophobicContact CB-CZ 4.01Å; V217-F275 HydrophobicContact CG1-CE1 3.7Å; V217-F275 HydrophobicContact CG1-CZ 4.13Å; I230-F275 HydrophobicContact CG2-CB 3.52Å; I230-F275 HydrophobicContact CG2-CD1 3.64Å; I230-F275 HydrophobicContact CG2-CD2 3.68Å; I230-F275 HydrophobicContact CG2-CE1 4.26Å; I230-F275 HydrophobicContact CG2-CE2 4.31Å; I230-F275 HydrophobicContact CG2-CG 3.31Å; F275-M452 HydrophobicContact CD1-CE 4.24Å; F275-M452 HydrophobicContact CD2-CE 4.16Å; F275-M452 HydrophobicContact CE1-CE 4.21Å; F275-M452 HydrophobicContact CE1-SD 4.18Å; F275-M452 HydrophobicContact CE2-CE 4.12Å; F275-M452 HydrophobicContact CG-CE 4.2Å; F275-M452 HydrophobicContact CZ-CE 4.13Å; F275-M452 HydrophobicContact CZ-SD 4.37Å
276Y87.7Confident72.6Confident28 Ų2873.5 Ų73.511%0.1137%0.37CS..  trans-118.1159.9171.976.4-82.4000110.8P65 L67 Y271 V273 A278P65-Y276 CarbonylContact O-C 3.6Å; P65-Y276 VanDerWaalsContact O-CA 3.3Å; P65-Y276 WeakPolarHBondContact O-CA 3.39Å; P65-Y276 WeakPolarHBondContact O-CB 3.21Å; L67-Y276 HydrophobicContact CB-CD2 4.18Å; L67-Y276 HydrophobicContact CD1-CD1 4.47Å; L67-Y276 HydrophobicContact CD1-CD2 3.59Å; L67-Y276 HydrophobicContact CD1-CE2 4.12Å; L67-Y276 HydrophobicContact CD1-CG 3.77Å; L67-Y276 HydrophobicContact CG-CD2 4.16Å; Y271-Y276 HydrophobicContact CD2-CE2 4.1Å; V273-Y276 HydrophobicContact CG2-CD1 3.57Å; V273-Y276 HydrophobicContact CG2-CE1 4.01Å; V273-Y276 HydrophobicContact CG2-CG 4.13Å; V273-Y276 WeakPolarHBondContact O-CD1 3.15Å; V273-Y276 WeakPolarHBondContact O-CE1 3.35Å; Y276-A278 HydrophobicContact CE2-CB 4.04Å
277A84.7Confident70.2Confident5 Ų575.8 Ų75.84%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-102.4123.5167.400000109.4P65 Q66 L67 L128 V292P65-A277 PolarHBondContact O-N 3.32Å; Q66-A277 WeakPolarHBondContact CA-O 3.36Å; L67-A277 PolarHBondContact N-O 2.93Å; L67-A277 VanDerWaalsContact N-O 3.1Å; L128-A277 HydrophobicContact CD1-CB 3.8Å; L128-A277 HydrophobicContact CD2-CB 3.97Å; L128-A277 HydrophobicContact CG-CB 4.37Å; A277-V292 HydrophobicContact CB-CG2 4.14Å
278A69.8Low67.9Low44 Ų4482.4 Ų82.436%0.36442%0.421SS..EExtended strand (participates in β ladder)trans-74.8133.9166.700000109Y276 V280 V457Y276-A278 HydrophobicContact CE2-CB 4.04Å; A278-V280 PolarHBondContact O-N 2.87Å; A278-V457 HydrophobicContact CB-CG2 4.41Å
279T64.7Low65.8Low57 Ų5789.3 Ų89.335%0.3545%0.452SS..  trans-74.693.6171-520000108.2Q66 L67 K281Q66-T279 WeakPolarHBondContact CG-OG1 3.22Å; Q66-T279 PolarHBondContact NE2-OG1 2.76Å; L67-T279 PolarHBondContact O-N 3.36Å; L67-T279 PolarHBondContact O-OG1 2.86Å; T279-K281 PolarHBondContact O-N 2.81Å
280V56Low64.1Low103 Ų10393.3 Ų93.362%0.62447%0.471SS*.  trans-65.6109.6167.7-175.80000106.5A278 K282A278-V280 PolarHBondContact O-N 2.87Å; V280-K282 PolarHBondContact O-N 3.5Å
281K52.2Low62.8Low151 Ų15196.4 Ų96.466%0.65749%0.493SS*.  trans-58.7110.5170.7-71.6-176.8-178.3177.30106.3T279 E283T279-K281 PolarHBondContact O-N 2.81Å; K281-E283 PolarHBondContact O-N 3.37Å
282K38.8Very low62.1Low196 Ų19696.6 Ų96.685%0.85250%0.495SS*.SBendtrans-23113.6-178.5-70.2170.3173.5176.10114V280V280-K282 PolarHBondContact O-N 3.5Å
283E41.6Very low61.7Low189 Ų18995.7 Ų95.788%0.88349%0.487SS*.SBendtrans-157.9-21.2139.6-112.4164.8-153.400114.9K281K281-E283 PolarHBondContact O-N 3.37Å
284E40.1Very low61.6Low176 Ų17695.9 Ų95.982%0.82249%0.488SS*.SBendtrans-142.591.4-176.7-67-175.3159.400113.9
285S42Very low61.5Low106 Ų10694.7 Ų94.774%0.74148%0.483SS*.  trans174.898.6144.933.20000110.6N287S285-N287 PolarHBondContact O-N 2.99Å
286K42.2Very low61.5Low216 Ų21696.5 Ų96.594%0.93949%0.491SS*.  trans-74.19.3169.2-86.7-177.8175.1176.30113.7
287N42.5Very low61.8Low119 Ų11996 Ų9664%0.63649%0.492SS*.  trans-100.7108.8175.6-91.1-3.9000109.5S285 Q289S285-N287 PolarHBondContact O-N 2.99Å; N287-Q289 PolarHBondContact O-N 2.67Å
288D44.2Very low62.2Low145 Ų14595.8 Ų95.878%0.77549%0.49SS*.  trans-63.337.8168.8-88.5-41.7000113.2R129 E290R129-D288 IonicContact NH2-OD1 3.9Å; D288-E290 PolarHBondContact O-N 2.96Å
289Q48.2Very low63.2Low152 Ų15296.5 Ų96.571%0.7149%0.49SS*.  trans-72.5129.7170.3-86.1176.1-32.200108.9N287 S291N287-Q289 PolarHBondContact O-N 2.67Å; Q289-S291 PolarHBondContact O-N 2.84Å
290E55.2Low64.2Low104 Ų104100.7 Ų100.749%0.48650%0.503SS..  trans-52.5108.5171.7-67.6-175.8154.100108.5W131 D288 V292W131-E290 HydrophobicContact CH2-CG 4.13Å; W131-E290 WeakPolarHBondContact CH2-OE1 3.24Å; D288-E290 PolarHBondContact O-N 2.96Å; E290-V292 PolarHBondContact O-N 3.35Å
291S64.4Low65.6Low84 Ų8496 Ų9659%0.58748%0.475SS*.SBendtrans-67.2-7.8-176.6640000113.1Q289Q289-S291 PolarHBondContact O-N 2.84Å
292V76.3Confident67.3Low13 Ų1391 Ų918%0.07945%0.454CS..SBendtrans-126.1123.7-176.4-173.80000109I64 A277 E290 L294I64-V292 HydrophobicContact CG2-CG1 4.39Å; I64-V292 HydrophobicContact CG2-CG2 4.31Å; A277-V292 HydrophobicContact CB-CG2 4.14Å; E290-V292 PolarHBondContact O-N 3.35Å; V292-L294 HydrophobicContact CB-CD2 4.46Å; V292-L294 HydrophobicContact CG1-CD2 3.98Å; V292-L294 PolarHBondContact O-N 3.06Å
293F82.3Confident69.4Low73 Ų7386 Ų8632%0.3243%0.432SS..  trans-69.8112.4173.3175.2-106.9000110.8V217 G295 H296 L450V217-F293 HydrophobicContact CG1-CD1 3.71Å; V217-F293 HydrophobicContact CG1-CE1 3.64Å; F293-G295 VanDerWaalsContact CZ-CA 3.4Å; F293-H296 AromaticContact CE2-CE1 3.47Å; F293-H296 VanDerWaalsContact CE2-CE1 3.47Å; F293-H296 WeakPolarHBondContact CE2-CE1 3.45Å; F293-H296 AromaticContact CE2-ND1 3.93Å; F293-H296 AromaticContact CE2-NE2 3.96Å; F293-H296 AromaticContact CZ-CD2 3.94Å; F293-H296 AromaticContact CZ-CE1 3.41Å; F293-H296 VanDerWaalsContact CZ-CE1 3.41Å; F293-H296 WeakPolarHBondContact CZ-CE1 3.46Å; F293-H296 AromaticContact CZ-ND1 3.97Å; F293-H296 AromaticContact CZ-NE2 3.4Å; F293-H296 WeakPolarHBondContact CZ-NE2 3.37Å; F293-L450 HydrophobicContact CB-CD1 3.76Å; F293-L450 HydrophobicContact CD1-CD1 3.34Å; F293-L450 HydrophobicContact CD1-CD2 3.96Å; F293-L450 HydrophobicContact CD1-CG 4.3Å; F293-L450 HydrophobicContact CE1-CD1 4.05Å; F293-L450 HydrophobicContact CE1-CD2 4.31Å; F293-L450 HydrophobicContact CG-CD1 3.63Å
294L85.5Confident71.5Confident8 Ų877.6 Ų77.64%0.04239%0.393CS..  trans-100.437.4-179.1-59.3-178.7000112.7I64 W131 F133 F203 R214 V292I64-L294 HydrophobicContact CD1-CD2 3.54Å; I64-L294 HydrophobicContact CG1-CD2 3.79Å; W131-L294 HydrophobicContact CE3-CD1 4.33Å; W131-L294 HydrophobicContact CZ3-CD1 3.93Å; F133-L294 HydrophobicContact CE1-CD1 4.32Å; F133-L294 HydrophobicContact CZ-CD1 3.79Å; F203-L294 HydrophobicContact CZ-CB 4.34Å; F203-L294 VanDerWaalsContact CZ-O 3.26Å; F203-L294 WeakPolarHBondContact CZ-O 3.26Å; R214-L294 PolarHBondContact NH1-O 3.35Å; V292-L294 HydrophobicContact CB-CD2 4.46Å; V292-L294 HydrophobicContact CG1-CD2 3.98Å; V292-L294 PolarHBondContact O-N 3.06Å
295G86.6Confident74Confident6 Ų669.6 Ų69.66%0.06236%0.355CS..  trans66.7-170.6-179.600000113.8R214 H215 F293R214-G295 PolarHBondContact NH1-O 3.46Å; H215-G295 CarbonylContact O-C 3.51Å; H215-G295 VanDerWaalsContact O-CA 3.27Å; H215-G295 WeakPolarHBondContact O-CA 3.41Å; F293-G295 VanDerWaalsContact CZ-CA 3.4Å
296H87.6Confident76.2Confident51 Ų5167 Ų6724%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-108.5142.8-178.9-55-63.5000110.8R214 H215 F293 V298 K363R214-H296 VanDerWaalsContact CA-O 3.24Å; R214-H296 WeakPolarHBondContact CA-O 3.4Å; H215-H296 PolarHBondContact CD2-O 2.84Å; H215-H296 PolarHBondContact N-O 2.94Å; H215-H296 PolarHBondContact O-N 3.4Å; F293-H296 AromaticContact CE2-CE1 3.47Å; F293-H296 VanDerWaalsContact CE2-CE1 3.47Å; F293-H296 WeakPolarHBondContact CE2-CE1 3.45Å; F293-H296 AromaticContact CE2-ND1 3.93Å; F293-H296 AromaticContact CE2-NE2 3.96Å; F293-H296 AromaticContact CZ-CD2 3.94Å; F293-H296 AromaticContact CZ-CE1 3.41Å; F293-H296 VanDerWaalsContact CZ-CE1 3.41Å; F293-H296 WeakPolarHBondContact CZ-CE1 3.46Å; F293-H296 AromaticContact CZ-ND1 3.97Å; F293-H296 AromaticContact CZ-NE2 3.4Å; F293-H296 WeakPolarHBondContact CZ-NE2 3.37Å; H296-V298 PolarHBondContact O-N 3.05Å; H296-K363 PolarHBondContact CD2-NZ 2.83Å; H296-K363 VanDerWaalsContact CD2-NZ 3.31Å; H296-K363 PolarHBondContact CE1-NZ 3.29Å; H296-K363 PolarHBondContact NE2-NZ 3.49Å
297P92.2Very high78.6Confident18 Ų1860.2 Ų60.212%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-57.1130.6164-23.835000110.5T212 L213 T299 K300 A301T212-P297 HydrophobicContact CG2-CB 3.83Å; T212-P297 HydrophobicContact CG2-CG 3.98Å; L213-P297 CarbonylContact O-C 3.47Å; L213-P297 WeakPolarHBondContact O-CA 3.3Å; P297-T299 VanDerWaalsContact C-N 3.26Å; P297-T299 PolarHBondContact O-N 3.12Å; P297-K300 HydrophobicContact CB-CB 4.32Å; P297-K300 HydrophobicContact CB-CD 4.42Å; P297-K300 HydrophobicContact CB-CG 4.13Å; P297-K300 HydrophobicContact CG-CD 4.1Å; P297-K300 HydrophobicContact CG-CG 4.36Å; P297-K300 WeakPolarHBondContact O-CB 3.41Å; P297-K300 PolarHBondContact O-N 2.93Å; P297-A301 PolarHBondContact O-N 3.05Å
298V93.2Very high81.1Confident0 Ų054.8 Ų54.80%028%0.282CS..Hα-helixtrans-56.9-42.6179.31700000110.5L197 Y202 L213 H215 H296 K300 A301 E302 I305 I308L197-V298 HydrophobicContact CD1-CG1 4.24Å; L197-V298 HydrophobicContact CD2-CG1 3.57Å; Y202-V298 HydrophobicContact CD1-CG2 3.79Å; Y202-V298 HydrophobicContact CE1-CG2 3.83Å; L213-V298 HydrophobicContact CB-CB 4.43Å; L213-V298 HydrophobicContact CB-CG2 4.19Å; L213-V298 HydrophobicContact CD2-CG2 4.14Å; L213-V298 HydrophobicContact CG-CG2 4.09Å; L213-V298 WeakPolarHBondContact O-CG2 3.45Å; L213-V298 PolarHBondContact O-N 3.27Å; H215-V298 HydrophobicContact CB-CG2 4.21Å; H296-V298 PolarHBondContact O-N 3.05Å; V298-K300 PolarHBondContact O-N 2.88Å; V298-K300 VanDerWaalsContact O-N 3.16Å; V298-A301 PolarHBondContact O-N 2.94Å; V298-A301 VanDerWaalsContact O-N 3.11Å; V298-E302 HydrophobicContact CG1-CB 4.37Å; V298-E302 HydrophobicContact CG1-CG 4.08Å; V298-E302 WeakPolarHBondContact O-CB 3.5Å; V298-E302 PolarHBondContact O-N 3.48Å; V298-I305 HydrophobicContact CG1-CD1 3.64Å; V298-I308 HydrophobicContact CB-CD1 3.99Å; V298-I308 HydrophobicContact CG1-CD1 3.79Å
299T90.8Very high83.4Confident59 Ų5952.5 Ų52.536%0.36226%0.263SS..Hα-helixtrans-61.2-23.9176.852.90000114.2P297 I305 I308P297-T299 VanDerWaalsContact C-N 3.26Å; P297-T299 PolarHBondContact O-N 3.12Å; T299-I305 HydrophobicContact CG2-CG2 4.15Å; T299-I308 HydrophobicContact CG2-CD1 3.8Å; T299-I308 HydrophobicContact CG2-CG1 3.89Å
300K86.4Confident85.4Confident146 Ų14646.7 Ų46.764%0.63524%0.236SC*.Hα-helixtrans-81-37.9175.3-73.1-169.9179.7-174.60112P297 V298 K303P297-K300 HydrophobicContact CB-CB 4.32Å; P297-K300 HydrophobicContact CB-CD 4.42Å; P297-K300 HydrophobicContact CB-CG 4.13Å; P297-K300 HydrophobicContact CG-CD 4.1Å; P297-K300 HydrophobicContact CG-CG 4.36Å; P297-K300 WeakPolarHBondContact O-CB 3.41Å; P297-K300 PolarHBondContact O-N 2.93Å; V298-K300 PolarHBondContact O-N 2.88Å; V298-K300 VanDerWaalsContact O-N 3.16Å; K300-K303 WeakPolarHBondContact O-CE 3.44Å; K300-K303 PolarHBondContact O-NZ 3.1Å; K300-K303 VanDerWaalsContact O-NZ 3.13Å
301A85Confident86.9Confident4 Ų445 Ų453%0.03323%0.233CC..Hα-helixtrans-82.5-33.7-177.200000113H215 P297 V298 K363 N365H215-A301 WeakPolarHBondContact NE2-CB 3.23Å; P297-A301 PolarHBondContact O-N 3.05Å; V298-A301 PolarHBondContact O-N 2.94Å; V298-A301 VanDerWaalsContact O-N 3.11Å; A301-K363 HydrophobicContact CB-CG 4.35Å; A301-N365 PolarHBondContact O-ND2 2.84Å
302E87.6Confident87.7Confident45 Ų4544.8 Ų44.821%0.2123%0.225CC..  trans-110.986.5-174.4-60.7-65.1164.700109.3L197 V298 W304 I305L197-E302 HydrophobicContact CD2-CG 4.07Å; V298-E302 HydrophobicContact CG1-CB 4.37Å; V298-E302 HydrophobicContact CG1-CG 4.08Å; V298-E302 WeakPolarHBondContact O-CB 3.5Å; V298-E302 PolarHBondContact O-N 3.48Å; E302-W304 PolarHBondContact O-N 3.35Å; E302-W304 VanDerWaalsContact O-N 3.16Å; E302-W304 PolarHBondContact OE2-NE1 2.96Å; E302-I305 HydrophobicContact CB-CD1 3.64Å; E302-I305 HydrophobicContact CB-CG1 4.04Å; E302-I305 HydrophobicContact CG-CD1 4.3Å; E302-I305 WeakPolarHBondContact O-CB 3.5Å; E302-I305 PolarHBondContact O-N 2.99Å
303K83.8Confident87.3Confident93 Ų9353.4 Ų53.440%0.40426%0.256SS..THydrogen-bonded Turntrans-63.3-21.3-173.1-62.3-60-175.1-168.50114.7K300 I305 N325 L411K300-K303 WeakPolarHBondContact O-CE 3.44Å; K300-K303 PolarHBondContact O-NZ 3.1Å; K300-K303 VanDerWaalsContact O-NZ 3.13Å; K303-I305 PolarHBondContact O-N 3.02Å; K303-N325 PolarHBondContact O-ND2 3.35Å; K303-L411 HydrophobicContact CB-CD1 3.95Å; K303-L411 HydrophobicContact CG-CD1 4.22Å
304W86Confident86.6Confident12 Ų1252 Ų525%0.04526%0.255CS..THydrogen-bonded Turntrans-70-8.5175.263.8-92.3000112.8W195 L197 E302 V322 Q324 N325W195-W304 HydrophobicContact CB-CD2 3.56Å; W195-W304 HydrophobicContact CB-CE3 3.94Å; W195-W304 HydrophobicContact CB-CG 3.84Å; W195-W304 HydrophobicContact CB-CZ2 4.18Å; W195-W304 HydrophobicContact CB-CZ3 4.4Å; W195-W304 HydrophobicContact CD2-CG 4.33Å; W195-W304 HydrophobicContact CG-CB 4.26Å; W195-W304 HydrophobicContact CG-CD2 4.19Å; W195-W304 AromaticContact CG-CG 3.93Å; W195-W304 HydrophobicContact CG-CG 3.93Å; L197-W304 HydrophobicContact CD2-CZ2 4.03Å; L197-W304 HydrophobicContact CG-CH2 4.16Å; L197-W304 HydrophobicContact CG-CZ2 4.13Å; E302-W304 PolarHBondContact O-N 3.35Å; E302-W304 VanDerWaalsContact O-N 3.16Å; E302-W304 PolarHBondContact OE2-NE1 2.96Å; W304-V322 HydrophobicContact CH2-CG1 4.11Å; W304-V322 HydrophobicContact CZ3-CG1 3.97Å; W304-Q324 HydrophobicContact CE3-CB 4.46Å; W304-Q324 HydrophobicContact CE3-CG 4.06Å; W304-Q324 HydrophobicContact CZ3-CG 3.95Å; W304-Q324 CarbonylContact O-C 3.59Å; W304-Q324 WeakPolarHBondContact O-CA 3.31Å; W304-N325 PolarHBondContact O-N 3.16Å
305I91.3Very high85.3Confident7 Ų755.2 Ų55.24%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-94.8122.9178.4-60.5177.1000110.1L197 V298 T299 E302 K303 I308 V322 N325L197-I305 HydrophobicContact CD1-CD1 4.36Å; L197-I305 HydrophobicContact CD2-CD1 3.73Å; L197-I305 HydrophobicContact CG-CD1 4.15Å; V298-I305 HydrophobicContact CG1-CD1 3.64Å; T299-I305 HydrophobicContact CG2-CG2 4.15Å; E302-I305 HydrophobicContact CB-CD1 3.64Å; E302-I305 HydrophobicContact CB-CG1 4.04Å; E302-I305 HydrophobicContact CG-CD1 4.3Å; E302-I305 WeakPolarHBondContact O-CB 3.5Å; E302-I305 PolarHBondContact O-N 2.99Å; K303-I305 PolarHBondContact O-N 3.02Å; I305-I308 HydrophobicContact CD1-CD1 4.4Å; I305-I308 HydrophobicContact CG2-CD1 4.03Å; I305-I308 HydrophobicContact CG2-CG1 3.56Å; I305-V322 HydrophobicContact CB-CG1 4.37Å; I305-V322 HydrophobicContact CD1-CG1 3.81Å; I305-V322 HydrophobicContact CG1-CG1 3.76Å; I305-V322 HydrophobicContact CG2-CG1 3.81Å; I305-N325 PolarHBondContact O-ND2 3.18Å
306S89.5Confident84.4Confident52 Ų5259.4 Ų59.436%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-84.2-45.2175.870.70000111.3E323 N325S306-E323 PolarHBondContact N-O 2.91Å; S306-E323 VanDerWaalsContact OG-C 3.31Å; S306-E323 WeakPolarHBondContact OG-CB 3.39Å; S306-E323 PolarHBondContact OG-O 2.88Å; S306-N325 WeakPolarHBondContact CA-OD1 3.27Å; S306-N325 WeakPolarHBondContact CB-OD1 3.21Å
307N92.3Very high83.7Confident74 Ų7457.2 Ų57.240%0.39631%0.305SS..EExtended strand (participates in β ladder)trans-153.7152.5-174.6-166.29.9000111.3E323N307-E323 HydrophobicContact CB-CB 4.17Å; N307-E323 HydrophobicContact CB-CG 4.44Å; N307-E323 PolarHBondContact O-N 3.34Å
308I94.3Very high83.4Confident5 Ų564.5 Ų64.53%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-132.4129.7174.1-49.7-179.9000108.1L211 L213 V298 T299 I305 V320 L321 V322L211-I308 HydrophobicContact CD2-CG2 3.76Å; L213-I308 HydrophobicContact CB-CD1 4.16Å; L213-I308 HydrophobicContact CB-CG2 4.5Å; L213-I308 HydrophobicContact CD2-CD1 4.48Å; V298-I308 HydrophobicContact CB-CD1 3.99Å; V298-I308 HydrophobicContact CG1-CD1 3.79Å; T299-I308 HydrophobicContact CG2-CD1 3.8Å; T299-I308 HydrophobicContact CG2-CG1 3.89Å; I305-I308 HydrophobicContact CD1-CD1 4.4Å; I305-I308 HydrophobicContact CG2-CD1 4.03Å; I305-I308 HydrophobicContact CG2-CG1 3.56Å; I308-V320 HydrophobicContact CG2-CG1 3.44Å; I308-V320 VanDerWaalsContact CG2-CG1 3.44Å; I308-L321 WeakPolarHBondContact CA-O 3.2Å; I308-V322 HydrophobicContact CG2-CG2 4.23Å
309R92.6Very high83.4Confident97 Ų9768.4 Ų68.437%0.36635%0.349SS..EExtended strand (participates in β ladder)trans-141.9150.8178.160.8-170.1178.8103.1-3.3112.1L321 E323R309-L321 HydrophobicContact CG-CB 3.97Å; R309-L321 HydrophobicContact CG-CD2 4.12Å; R309-L321 PolarHBondContact N-O 3.27Å; R309-L321 VanDerWaalsContact NH2-CD1 3.33Å; R309-L321 PolarHBondContact O-N 3.47Å; R309-E323 IonicContact CZ-OE1 3.22Å; R309-E323 IonicContact NE-OE1 3.17Å; R309-E323 PolarHBondContact NE-OE1 3.15Å; R309-E323 IonicContact NH2-OE1 3.36Å
310L90.8Very high83.6Confident30 Ų3065.6 Ų65.616%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-73.2135.1163.6-69.3169.6000108.1I56 Y204 L211 D312 V320I56-L310 HydrophobicContact CD1-CD2 4.12Å; Y204-L310 HydrophobicContact CE2-CD1 4.33Å; L211-L310 HydrophobicContact CD1-CD1 4.18Å; L211-L310 HydrophobicContact CD1-CG 4.09Å; L211-L310 HydrophobicContact CD2-CD2 4.46Å; L211-L310 HydrophobicContact CD2-CG 4.03Å; L310-D312 VanDerWaalsContact C-N 3.31Å; L310-D312 WeakPolarHBondContact CB-O 3.07Å; L310-V320 HydrophobicContact CD2-CG2 3.97Å
311V86.8Confident84Confident67 Ų6759 Ų5941%0.40630%0.304SS..SBendtrans-63.8-42.8179.8174.10000110.5L53 Q319 L321L53-V311 HydrophobicContact CD2-CG2 3.9Å; V311-Q319 HydrophobicContact CB-CB 4.08Å; V311-Q319 HydrophobicContact CG2-CB 3.63Å; V311-Q319 PolarHBondContact N-O 3.38Å; V311-Q319 VanDerWaalsContact N-O 3.08Å; V311-L321 HydrophobicContact CG2-CB 4Å
312D80Confident84.5Confident80 Ų8058.9 Ų58.943%0.42830%0.302SS..  trans-118.3136.8170.4-176.41.1000108.4L310 S314 S317L310-D312 VanDerWaalsContact C-N 3.31Å; L310-D312 WeakPolarHBondContact CB-O 3.07Å; D312-S314 VanDerWaalsContact C-N 3.27Å; D312-S314 WeakPolarHBondContact OD1-CB 3.4Å; D312-S314 PolarHBondContact OD1-N 3.39Å; D312-S314 PolarHBondContact OD1-OG 3Å; D312-S314 VanDerWaalsContact OD2-CB 3.26Å; D312-S314 WeakPolarHBondContact OD2-CB 3.41Å; D312-S314 PolarHBondContact OD2-OG 3.03Å; D312-S317 WeakPolarHBondContact O-CB 3.46Å; D312-S317 PolarHBondContact O-OG 2.85Å
313R69Low84.7Confident194 Ų19458.1 Ų58.173%0.73230%0.299SS*.  trans-86.20.1174.3-70.9-172.8176-156.7-6.5112.5Q209Q209-R313 PolarHBondContact O-NH1 3.15Å; Q209-R313 PolarHBondContact O-NH2 3.28Å
314S66.4Low85.1Confident43 Ų4354.5 Ų54.530%0.30128%0.283SS..SBendtrans-63.1153.3170.980.20000110.8D312 T316 S317D312-S314 VanDerWaalsContact C-N 3.27Å; D312-S314 WeakPolarHBondContact OD1-CB 3.4Å; D312-S314 PolarHBondContact OD1-N 3.39Å; D312-S314 PolarHBondContact OD1-OG 3Å; D312-S314 VanDerWaalsContact OD2-CB 3.26Å; D312-S314 WeakPolarHBondContact OD2-CB 3.41Å; D312-S314 PolarHBondContact OD2-OG 3.03Å; S314-T316 PolarHBondContact O-N 3.3Å; S314-T316 PolarHBondContact OG-N 3.16Å; S314-T316 PolarHBondContact OG-OG1 3.43Å; S314-S317 WeakPolarHBondContact O-CB 3.39Å; S314-S317 PolarHBondContact O-N 2.71Å
315G59.6Low85Confident76 Ų7658.1 Ų58.178%0.78430%0.303SS*.THydrogen-bonded Turntrans-60.6-5.1172.500000113.9
316T67.4Low84.4Confident94 Ų9460.7 Ų60.758%0.57732%0.315SS*.THydrogen-bonded Turntrans-98.66.5175.161.90000113.7S314 R318S314-T316 PolarHBondContact O-N 3.3Å; S314-T316 PolarHBondContact OG-N 3.16Å; S314-T316 PolarHBondContact OG-OG1 3.43Å; T316-R318 WeakPolarHBondContact O-CD 3.47Å; T316-R318 VanDerWaalsContact O-CG 3.26Å; T316-R318 WeakPolarHBondContact O-CG 3.3Å; T316-R318 PolarHBondContact O-N 3.31Å; T316-R318 VanDerWaalsContact O-N 3.12Å
317S71.7Confident84Confident5 Ų559.5 Ų59.54%0.03531%0.307CS..  trans-51.7120.8179.1-157.20000111.7D312 S314D312-S317 WeakPolarHBondContact O-CB 3.46Å; D312-S317 PolarHBondContact O-OG 2.85Å; S314-S317 WeakPolarHBondContact O-CB 3.39Å; S314-S317 PolarHBondContact O-N 2.71Å
318R87Confident83.4Confident172 Ų17257.9 Ų57.965%0.64930%0.3SS*.  trans-108.35.5179.8-59.4-52.4-124.7-117.4-3.2113.3P55 I56 T316P55-R318 WeakPolarHBondContact CA-O 3.44Å; I56-R318 PolarHBondContact N-O 2.77Å; T316-R318 WeakPolarHBondContact O-CD 3.47Å; T316-R318 VanDerWaalsContact O-CG 3.26Å; T316-R318 WeakPolarHBondContact O-CG 3.3Å; T316-R318 PolarHBondContact O-N 3.31Å; T316-R318 VanDerWaalsContact O-N 3.12Å
319Q93.3Very high82.9Confident81 Ų8158.8 Ų58.838%0.37931%0.311SS..EExtended strand (participates in β ladder)trans-144.4135-172.2-66.3-178.4-27.800112.4Y54 V311Y54-Q319 CarbonylContact O-C 3.57Å; Y54-Q319 VanDerWaalsContact O-CA 3.26Å; Y54-Q319 WeakPolarHBondContact O-CA 3.36Å; V311-Q319 HydrophobicContact CB-CB 4.08Å; V311-Q319 HydrophobicContact CG2-CB 3.63Å; V311-Q319 PolarHBondContact N-O 3.38Å; V311-Q319 VanDerWaalsContact N-O 3.08Å
320V94.3Very high82.7Confident0 Ų054.3 Ų54.30%029%0.294CS..EExtended strand (participates in β ladder)trans-105.1126.7168.1179.30000108.1Y54 I56 L138 L211 I308 L310 V322Y54-V320 PolarHBondContact N-O 3.13Å; Y54-V320 PolarHBondContact O-N 3.46Å; I56-V320 HydrophobicContact CD1-CG2 3.95Å; I56-V320 HydrophobicContact CG1-CG2 4.06Å; L138-V320 HydrophobicContact CD2-CB 4.17Å; L138-V320 HydrophobicContact CD2-CG2 3.69Å; L211-V320 HydrophobicContact CD2-CG1 4.35Å; I308-V320 HydrophobicContact CG2-CG1 3.44Å; I308-V320 VanDerWaalsContact CG2-CG1 3.44Å; L310-V320 HydrophobicContact CD2-CG2 3.97Å; V320-V322 HydrophobicContact CG1-CG2 4.25Å
321L94.6Very high82.5Confident9 Ų957.5 Ų57.55%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-97.3125173.2-172.7158.5000108.9H51 Q52 L53 I308 R309 V311 E323H51-L321 HydrophobicContact CB-CD2 4.09Å; H51-L321 HydrophobicContact CB-CG 4.42Å; Q52-L321 CarbonylContact O-C 3.57Å; Q52-L321 WeakPolarHBondContact O-CA 3.32Å; L53-L321 HydrophobicContact CD2-CB 3.77Å; L53-L321 HydrophobicContact CD2-CD1 3.76Å; L53-L321 HydrophobicContact CD2-CG 3.77Å; I308-L321 WeakPolarHBondContact CA-O 3.2Å; R309-L321 HydrophobicContact CG-CB 3.97Å; R309-L321 HydrophobicContact CG-CD2 4.12Å; R309-L321 PolarHBondContact N-O 3.27Å; R309-L321 VanDerWaalsContact NH2-CD1 3.33Å; R309-L321 PolarHBondContact O-N 3.47Å; V311-L321 HydrophobicContact CG2-CB 4Å; L321-E323 HydrophobicContact CD2-CB 4.49Å; L321-E323 HydrophobicContact CD2-CG 3.28Å
322V95.4Very high82.7Confident0 Ų054.3 Ų54.30%029%0.289CS..EExtended strand (participates in β ladder)trans-113.2113.2176.3178.90000108H51 Q52 Y54 L197 W304 I305 I308 V320H51-V322 CarbonylContact C-O 3.46Å; H51-V322 WeakPolarHBondContact CA-O 3.41Å; H51-V322 WeakPolarHBondContact CB-O 3.47Å; Q52-V322 HydrophobicContact CB-CB 4.33Å; Q52-V322 PolarHBondContact N-O 3.27Å; Q52-V322 PolarHBondContact O-N 2.85Å; Y54-V322 HydrophobicContact CD2-CB 4.34Å; Y54-V322 HydrophobicContact CD2-CG2 3.68Å; Y54-V322 HydrophobicContact CE2-CB 4.07Å; Y54-V322 HydrophobicContact CE2-CG2 3.67Å; L197-V322 HydrophobicContact CD1-CG2 3.87Å; W304-V322 HydrophobicContact CH2-CG1 4.11Å; W304-V322 HydrophobicContact CZ3-CG1 3.97Å; I305-V322 HydrophobicContact CB-CG1 4.37Å; I305-V322 HydrophobicContact CD1-CG1 3.81Å; I305-V322 HydrophobicContact CG1-CG1 3.76Å; I305-V322 HydrophobicContact CG2-CG1 3.81Å; I308-V322 HydrophobicContact CG2-CG2 4.23Å; V320-V322 HydrophobicContact CG1-CG2 4.25Å
323E93.6Very high83.1Confident30 Ų3051.5 Ų51.514%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-85.8138.1175.2-61.3-174.6-174.700109.4H51 S306 N307 R309 L321H51-E323 HydrophobicContact CB-CG 4.28Å; S306-E323 PolarHBondContact N-O 2.91Å; S306-E323 VanDerWaalsContact OG-C 3.31Å; S306-E323 WeakPolarHBondContact OG-CB 3.39Å; S306-E323 PolarHBondContact OG-O 2.88Å; N307-E323 HydrophobicContact CB-CB 4.17Å; N307-E323 HydrophobicContact CB-CG 4.44Å; N307-E323 PolarHBondContact O-N 3.34Å; R309-E323 IonicContact CZ-OE1 3.22Å; R309-E323 IonicContact NE-OE1 3.17Å; R309-E323 PolarHBondContact NE-OE1 3.15Å; R309-E323 IonicContact NH2-OE1 3.36Å; L321-E323 HydrophobicContact CD2-CB 4.49Å; L321-E323 HydrophobicContact CD2-CG 3.28Å
324Q90.3Very high84.1Confident17 Ų1742.2 Ų42.28%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-100.8140.5-176.1-51.1-175-42.300110.5A50 Q52 W304 E326A50-Q324 HydrophobicContact CB-CB 4.13Å; A50-Q324 HydrophobicContact CB-CG 4.4Å; A50-Q324 PolarHBondContact O-N 3.43Å; Q52-Q324 VanDerWaalsContact NE2-NE2 3.14Å; W304-Q324 HydrophobicContact CE3-CB 4.46Å; W304-Q324 HydrophobicContact CE3-CG 4.06Å; W304-Q324 HydrophobicContact CZ3-CG 3.95Å; W304-Q324 CarbonylContact O-C 3.59Å; W304-Q324 WeakPolarHBondContact O-CA 3.31Å; Q324-E326 VanDerWaalsContact C-N 3.34Å; Q324-E326 WeakPolarHBondContact CB-O 3.25Å
325N84.8Confident85Confident88 Ų8841.8 Ų41.847%0.47123%0.234SC..SBendtrans-78.2-22.3165.6-76.9-35.7000111.7L9 K303 W304 I305 S306L9-N325 WeakPolarHBondContact CD2-O 3.14Å; K303-N325 PolarHBondContact O-ND2 3.35Å; W304-N325 PolarHBondContact O-N 3.16Å; I305-N325 PolarHBondContact O-ND2 3.18Å; S306-N325 WeakPolarHBondContact CA-OD1 3.27Å; S306-N325 WeakPolarHBondContact CB-OD1 3.21Å
326E78.5Confident86Confident61 Ų6138.6 Ų38.629%0.28520%0.199SC..  trans-140.4138.2-174.4-70.1172.8-143.900110.4Q324Q324-E326 VanDerWaalsContact C-N 3.34Å; Q324-E326 WeakPolarHBondContact CB-O 3.25Å
327S81.8Confident86.1Confident26 Ų2639.5 Ų39.518%0.18220%0.2CC..  trans-134.4145.9172.2170.90000109.5Y47Y47-S327 WeakPolarHBondContact OH-CB 3.37Å; Y47-S327 PolarHBondContact OH-OG 3.42Å
328P79.8Confident86Confident40 Ų4044.4 Ų44.426%0.2622%0.222SC..PPolyproline II helixtrans-56.5150.7164.426.9-34.5000110.2V191 A194V191-P328 HydrophobicContact CG1-CB 3.97Å; V191-P328 HydrophobicContact CG1-CG 3.67Å; A194-P328 HydrophobicContact CB-CG 4.47Å
329G82.9Confident85Confident25 Ų2537.7 Ų37.726%0.25820%0.2SC..PPolyproline II helixtrans-61.2137176.100000111.6L7L7-G329 CarbonylContact O-C 3.56Å; L7-G329 VanDerWaalsContact O-CA 3.27Å; L7-G329 WeakPolarHBondContact O-CA 3.41Å
330I87.7Confident83.7Confident3 Ų337 Ų372%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-101.1126.7179.7-63.1-179.8000108.9Q6 L7 Y47 A145 F147 T171 L188 L332Q6-I330 WeakPolarHBondContact CA-O 3.29Å; L7-I330 PolarHBondContact N-O 3.4Å; L7-I330 PolarHBondContact O-N 3Å; Y47-I330 HydrophobicContact CD1-CD1 4.27Å; Y47-I330 HydrophobicContact CE1-CD1 3.56Å; Y47-I330 HydrophobicContact CE1-CG1 3.9Å; Y47-I330 HydrophobicContact CE2-CD1 4.04Å; Y47-I330 VanDerWaalsContact CZ-CD1 3.41Å; Y47-I330 WeakPolarHBondContact OH-CD1 3.05Å; A145-I330 HydrophobicContact CB-CD1 3.46Å; A145-I330 VanDerWaalsContact CB-CD1 3.46Å; F147-I330 HydrophobicContact CZ-CD1 3.79Å; F147-I330 HydrophobicContact CZ-CG2 4.2Å; T171-I330 HydrophobicContact CG2-CD1 3.76Å; L188-I330 HydrophobicContact CD2-CG2 3.92Å; L188-I330 HydrophobicContact CG-CG2 4.48Å; I330-L332 HydrophobicContact CG2-CD2 3.78Å
331Q88.5Confident82.8Confident96 Ų9638.4 Ų38.445%0.44921%0.212SC..EExtended strand (participates in β ladder)trans-84.7119.3172.4-68.7-178.1-7.400110.1Q6 S189Q6-Q331 HydrophobicContact CB-CG 4.35Å; Q6-Q331 HydrophobicContact CG-CG 4.3Å; S189-Q331 PolarHBondContact N-O 2.77Å; S189-Q331 VanDerWaalsContact N-O 3.1Å
332L89.2Confident82Confident1 Ų140.2 Ų40.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-104.7131.9173.8-55.4-174.8000109Q4 V5 L7 I45 F147 V186 Q187 L188 I330Q4-L332 WeakPolarHBondContact CA-O 3.33Å; V5-L332 PolarHBondContact N-O 2.94Å; V5-L332 PolarHBondContact O-N 3.22Å; L7-L332 HydrophobicContact CD1-CD1 3.68Å; I45-L332 HydrophobicContact CG2-CD1 3.95Å; F147-L332 HydrophobicContact CE1-CD1 4.27Å; F147-L332 HydrophobicContact CE1-CD2 4.39Å; F147-L332 HydrophobicContact CZ-CD2 4.28Å; V186-L332 HydrophobicContact CG1-CB 4.32Å; V186-L332 HydrophobicContact CG1-CD1 4.37Å; V186-L332 HydrophobicContact CG1-CD2 4.08Å; Q187-L332 CarbonylContact O-C 3.59Å; L188-L332 HydrophobicContact CD1-CD2 4.27Å; L188-L332 HydrophobicContact CD2-CD2 4.02Å; L188-L332 HydrophobicContact CG-CD2 3.58Å; I330-L332 HydrophobicContact CG2-CD2 3.78Å
333T90.1Very high81.5Confident20 Ų2043.2 Ų43.212%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-106.2113.2165.5-57.80000107.8A2 A3 Q4 Q187A2-T333 HydrophobicContact CB-CG2 4.16Å; A3-T333 CarbonylContact O-C 3.6Å; A3-T333 WeakPolarHBondContact O-CA 2.92Å; Q4-T333 HydrophobicContact CG-CG2 4.44Å; Q187-T333 PolarHBondContact N-O 2.79Å; Q187-T333 PolarHBondContact O-N 3.19Å
334I88.3Confident81Confident0 Ų044.6 Ų44.60%025%0.246CC..EExtended strand (participates in β ladder)trans-97.7110.3-178.3-50174.4000107.3A2 A3 V5 F15 I45 I184 F336A2-I334 CarbonylContact C-O 3.58Å; A2-I334 WeakPolarHBondContact CA-O 3.35Å; A3-I334 PolarHBondContact N-O 3.06Å; A3-I334 PolarHBondContact O-N 2.78Å; V5-I334 HydrophobicContact CG2-CD1 4.21Å; F15-I334 HydrophobicContact CD1-CD1 4.31Å; F15-I334 HydrophobicContact CE1-CD1 3.7Å; F15-I334 HydrophobicContact CZ-CD1 3.96Å; F15-I334 HydrophobicContact CZ-CG2 4.37Å; I45-I334 HydrophobicContact CD1-CD1 3.83Å; I45-I334 HydrophobicContact CD1-CG1 4.37Å; I184-I334 HydrophobicContact CG2-CG2 3.46Å; I184-I334 VanDerWaalsContact CG2-CG2 3.46Å; I334-F336 HydrophobicContact CB-CE2 4.24Å; I334-F336 HydrophobicContact CB-CZ 4.12Å; I334-F336 HydrophobicContact CG2-CE1 3.76Å; I334-F336 HydrophobicContact CG2-CE2 3.86Å; I334-F336 HydrophobicContact CG2-CZ 3.36Å
335N86.4Confident80.6Confident34 Ų3449.5 Ų49.518%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-96.8137.5177.9-63.2-32.1000109.7A2 I184 Q185A2-N335 VanDerWaalsContact CB-OD1 3.27Å; A2-N335 WeakPolarHBondContact CB-OD1 3.5Å; I184-N335 WeakPolarHBondContact CA-O 3.38Å; Q185-N335 HydrophobicContact CB-CB 4.2Å; Q185-N335 PolarHBondContact N-O 2.72Å; Q185-N335 PolarHBondContact O-N 3.06Å; Q185-N335 PolarHBondContact OE1-ND2 2.87Å
336F79.5Confident80.2Confident9 Ų952.1 Ų52.14%0.03927%0.269CS..EExtended strand (participates in β ladder)trans-122.9132.9176.6-50.2-87.8000110.2M1 A3 F15 V17 I184 I334 T339 F342M1-F336 PolarHBondContact N-O 3.49Å; M1-F336 PolarHBondContact O-N 2.88Å; A3-F336 HydrophobicContact CB-CE2 4.23Å; F15-F336 HydrophobicContact CD2-CE1 4.45Å; F15-F336 HydrophobicContact CD2-CZ 4.17Å; F15-F336 AromaticContact CE2-CE1 3.86Å; F15-F336 HydrophobicContact CE2-CE1 3.86Å; F15-F336 AromaticContact CE2-CZ 3.84Å; F15-F336 HydrophobicContact CE2-CZ 3.84Å; V17-F336 HydrophobicContact CG1-CD1 4.16Å; V17-F336 HydrophobicContact CG1-CE1 4.41Å; V17-F336 HydrophobicContact CG2-CD1 3.97Å; V17-F336 HydrophobicContact CG2-CE1 3.39Å; V17-F336 HydrophobicContact CG2-CZ 3.95Å; I184-F336 HydrophobicContact CD1-CD1 4.45Å; I184-F336 HydrophobicContact CD1-CE1 4.04Å; I184-F336 HydrophobicContact CG1-CD1 3.88Å; I184-F336 HydrophobicContact CG1-CE1 3.92Å; I184-F336 HydrophobicContact CG2-CE1 4.3Å; I334-F336 HydrophobicContact CB-CE2 4.24Å; I334-F336 HydrophobicContact CB-CZ 4.12Å; I334-F336 HydrophobicContact CG2-CE1 3.76Å; I334-F336 HydrophobicContact CG2-CE2 3.86Å; I334-F336 HydrophobicContact CG2-CZ 3.36Å; F336-T339 HydrophobicContact CB-CG2 3.34Å; F336-T339 WeakPolarHBondContact CB-OG1 3.33Å; F336-T339 HydrophobicContact CD1-CG2 4.07Å; F336-T339 HydrophobicContact CG-CG2 3.85Å; F336-F342 AromaticContact CE2-CD2 3.58Å; F336-F342 HydrophobicContact CE2-CD2 3.58Å; F336-F342 HydrophobicContact CE2-CE2 4.09Å; F336-F342 HydrophobicContact CE2-CG 4.28Å; F336-F342 AromaticContact CZ-CD2 3.51Å; F336-F342 HydrophobicContact CZ-CD2 3.51Å; F336-F342 AromaticContact CZ-CE2 3.79Å; F336-F342 HydrophobicContact CZ-CE2 3.79Å
337N71.5Confident80.2Confident112 Ų11254.3 Ų54.360%0.59928%0.279SS*.SBendtrans-75-43.4-179-62.4-19.6000112.5S183S183-N337 PolarHBondContact O-N 2.91Å
338E67.7Low80.2Confident108 Ų10855.3 Ų55.351%0.50529%0.293SS..SBendtrans-134.172.7-167.8-70.6164.6-166.100110.5
339T67.5Low80.7Confident31 Ų3153.6 Ų53.619%0.1928%0.282CS..  trans-136.8140.6-176.464.40000113.4V17 E18 F336V17-T339 HydrophobicContact CG1-CG2 3.14Å; E18-T339 WeakPolarHBondContact O-CA 3.26Å; F336-T339 HydrophobicContact CB-CG2 3.34Å; F336-T339 WeakPolarHBondContact CB-OG1 3.33Å; F336-T339 HydrophobicContact CD1-CG2 4.07Å; F336-T339 HydrophobicContact CG-CG2 3.85Å
340T65.1Low81.1Confident67 Ų6756.8 Ų56.841%0.41129%0.29SS..SBendtrans-92.3-38.7177.353.30000111.3M1 E18 D20M1-T340 WeakPolarHBondContact CE-O 3.37Å; E18-T340 WeakPolarHBondContact CB-OG1 3.44Å; E18-T340 PolarHBondContact O-N 3.28Å; E18-T340 PolarHBondContact O-OG1 3.13Å; D20-T340 HydrophobicContact CB-CG2 3.61Å
341S75.4Confident81.3Confident30 Ų3057.5 Ų57.521%0.2129%0.294CS..EExtended strand (participates in β ladder)trans-146155.4-179.289.20000113.3E18E18-S341 WeakPolarHBondContact CB-OG 3.47Å; E18-S341 WeakPolarHBondContact CG-OG 3.4Å; E18-S341 PolarHBondContact N-O 3.12Å; E18-S341 WeakPolarHBondContact OE2-CB 3.03Å; E18-S341 PolarHBondContact OE2-OG 2.8Å
342F78.2Confident81.6Confident47 Ų4754.7 Ų54.721%0.20629%0.29CS..EExtended strand (participates in β ladder)trans-133.4125.6175.1168.5-91.8000108.2M1 A3 V5 F15 F336 L344M1-F342 HydrophobicContact SD-CB 3.76Å; A3-F342 HydrophobicContact CB-CD1 3.65Å; A3-F342 HydrophobicContact CB-CD2 4.03Å; A3-F342 HydrophobicContact CB-CE1 3.44Å; A3-F342 VanDerWaalsContact CB-CE1 3.44Å; A3-F342 HydrophobicContact CB-CE2 3.8Å; A3-F342 HydrophobicContact CB-CG 3.94Å; A3-F342 HydrophobicContact CB-CZ 3.52Å; V5-F342 HydrophobicContact CG2-CZ 4.48Å; F15-F342 HydrophobicContact CB-CD2 4.11Å; F15-F342 HydrophobicContact CB-CE2 3.37Å; F15-F342 HydrophobicContact CB-CZ 3.74Å; F15-F342 HydrophobicContact CD1-CE2 4.13Å; F15-F342 AromaticContact CD2-CD2 3.97Å; F15-F342 HydrophobicContact CD2-CD2 3.97Å; F15-F342 AromaticContact CD2-CE2 3.49Å; F15-F342 HydrophobicContact CD2-CE2 3.49Å; F15-F342 VanDerWaalsContact CD2-CE2 3.49Å; F15-F342 HydrophobicContact CE2-CE2 4.27Å; F15-F342 HydrophobicContact CG-CD2 4.25Å; F15-F342 AromaticContact CG-CE2 3.4Å; F15-F342 HydrophobicContact CG-CE2 3.4Å; F15-F342 VanDerWaalsContact CG-CE2 3.4Å; F15-F342 HydrophobicContact CG-CZ 4.07Å; F336-F342 AromaticContact CE2-CD2 3.58Å; F336-F342 HydrophobicContact CE2-CD2 3.58Å; F336-F342 HydrophobicContact CE2-CE2 4.09Å; F336-F342 HydrophobicContact CE2-CG 4.28Å; F336-F342 AromaticContact CZ-CD2 3.51Å; F336-F342 HydrophobicContact CZ-CD2 3.51Å; F336-F342 AromaticContact CZ-CE2 3.79Å; F336-F342 HydrophobicContact CZ-CE2 3.79Å; F342-L344 HydrophobicContact CE1-CB 3.89Å; F342-L344 HydrophobicContact CZ-CB 4.16Å; F342-L344 HydrophobicContact CZ-CD1 4.08Å
343T84.1Confident81.9Confident62 Ų6257 Ų5738%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-124.8117.3176.2-55.80000109.7F15 F16 Y345F15-T343 CarbonylContact C-O 3.55Å; F15-T343 WeakPolarHBondContact CA-O 3.33Å; F15-T343 WeakPolarHBondContact CB-O 3.45Å; F16-T343 PolarHBondContact N-O 3.14Å; F16-T343 PolarHBondContact O-N 2.7Å; T343-Y345 HydrophobicContact CG2-CD2 4.08Å; T343-Y345 HydrophobicContact CG2-CE2 3.37Å; T343-Y345 WeakPolarHBondContact O-CD2 3.27Å
344L84.2Confident82.2Confident60 Ų6056.2 Ų56.231%0.31430%0.298SS..EExtended strand (participates in β ladder)trans-84.7136.6175.2-171.773.8000109.9V5 A13 C14 F15 F342 Y346V5-L344 HydrophobicContact CG2-CD1 4.04Å; A13-L344 HydrophobicContact CB-CD1 4.45Å; C14-L344 WeakPolarHBondContact O-CD1 3.08Å; F15-L344 HydrophobicContact CB-CD1 4.34Å; F342-L344 HydrophobicContact CE1-CB 3.89Å; F342-L344 HydrophobicContact CZ-CB 4.16Å; F342-L344 HydrophobicContact CZ-CD1 4.08Å; L344-Y346 HydrophobicContact CD2-CD1 4.36Å; L344-Y346 HydrophobicContact CD2-CE1 4.49Å; L344-Y346 HydrophobicContact CG-CD1 4.42Å
345Y82.3Confident82.6Confident119 Ų11959.6 Ų59.647%0.46732%0.319SS..EExtended strand (participates in β ladder)trans-119.4138.5176.5-72.5-99.7000110C14 F16 T343C14-Y345 PolarHBondContact O-N 3.36Å; F16-Y345 AromaticContact CD2-CD2 3.55Å; F16-Y345 HydrophobicContact CD2-CD2 3.55Å; F16-Y345 AromaticContact CD2-CE2 3.19Å; F16-Y345 HydrophobicContact CD2-CE2 3.19Å; F16-Y345 AromaticContact CD2-CZ 3.92Å; F16-Y345 AromaticContact CE2-CD2 3.84Å; F16-Y345 HydrophobicContact CE2-CD2 3.84Å; F16-Y345 AromaticContact CE2-CE2 3.6Å; F16-Y345 HydrophobicContact CE2-CE2 3.6Å; F16-Y345 HydrophobicContact CE2-CG 4.43Å; F16-Y345 AromaticContact CE2-CZ 3.95Å; F16-Y345 HydrophobicContact CG-CE2 4.31Å; T343-Y345 HydrophobicContact CG2-CD2 4.08Å; T343-Y345 HydrophobicContact CG2-CE2 3.37Å; T343-Y345 WeakPolarHBondContact O-CD2 3.27Å
346Y76.5Confident83Confident143 Ų14359.1 Ų59.156%0.56132%0.322SS*.  trans-126.4146.8175.223-86.7000109.3L344L344-Y346 HydrophobicContact CD2-CD1 4.36Å; L344-Y346 HydrophobicContact CD2-CE1 4.49Å; L344-Y346 HydrophobicContact CG-CD1 4.42Å
347H77.1Confident83.8Confident107 Ų10760.4 Ų60.450%0.49533%0.33SS..PPolyproline II helixtrans-75.5141.8171.1-72.8-72.2000109.8S349 C402H347-S349 PolarHBondContact O-N 3.22Å; H347-C402 PolarHBondContact CD2-SG 3.23Å
348G82.5Confident84.8Confident47 Ų4755.1 Ų55.149%0.48530%0.302SS..PPolyproline II helixtrans-59.8129.1173.100000111.1
349S89.1Confident86Confident5 Ų551.7 Ų51.74%0.03529%0.286CS..PPolyproline II helixtrans-83.5145.2173-59.80000111.2H347 K376 T378 P428 K431H347-S349 PolarHBondContact O-N 3.22Å; S349-K376 VanDerWaalsContact CA-O 3.3Å; S349-K376 WeakPolarHBondContact CA-O 3.38Å; S349-T378 WeakPolarHBondContact CB-O 3.29Å; S349-T378 PolarHBondContact OG-N 2.82Å; S349-T378 PolarHBondContact OG-O 3.49Å; S349-P428 WeakPolarHBondContact O-CB 2.98Å; S349-K431 PolarHBondContact O-NZ 3.05Å
350E91.7Very high87.2Confident91 Ų9151.7 Ų51.743%0.42528%0.284SS..BIsolated β-bridgetrans-144.4148.2179.4-66.3-176.3-166.300110.8A375 K376 I405E350-A375 CarbonylContact O-C 3.59Å; E350-A375 VanDerWaalsContact O-CA 3.28Å; E350-A375 WeakPolarHBondContact O-CA 3.33Å; E350-K376 PolarHBondContact N-O 2.77Å; E350-K376 PolarHBondContact O-N 2.98Å; E350-I405 WeakPolarHBondContact OE2-CD1 3.42Å
351M93.5Very high88.3Confident19 Ų1949 Ų499%0.09427%0.268CS..  trans-152.6132.6174-175.1-173.268.200109.1F354 K374 L379 L426 P428 K436M351-F354 HydrophobicContact CE-CD1 4.22Å; M351-F354 HydrophobicContact SD-CB 4.46Å; M351-F354 HydrophobicContact SD-CD1 4.42Å; M351-K374 WeakPolarHBondContact CA-O 3.39Å; M351-L379 HydrophobicContact CB-CD1 4.28Å; M351-L379 HydrophobicContact CB-CD2 3.89Å; M351-L379 HydrophobicContact CG-CD1 4.23Å; M351-L379 HydrophobicContact SD-CD1 4.02Å; M351-L426 HydrophobicContact CE-CB 3.79Å; M351-L426 WeakPolarHBondContact CE-O 2.97Å; M351-L426 HydrophobicContact SD-CB 3.91Å; M351-P428 HydrophobicContact CB-CG 4.23Å; M351-K436 HydrophobicContact CE-CB 3.98Å; M351-K436 HydrophobicContact CE-CG 3.81Å
352G93.3Very high88.9Confident36 Ų3649.2 Ų49.237%0.37127%0.269SS..  trans-81.5-59.9175.300000112.9F373 K374G352-F373 WeakPolarHBondContact CA-O 3.44Å; G352-F373 PolarHBondContact N-O 2.78Å; G352-K374 PolarHBondContact N-O 3.27Å
353D95.3Very high89.1Confident51 Ų5149.8 Ų49.827%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-157.2175.6179.3-157.7-3.4000109.6F373 R438D353-F373 HydrophobicContact CB-CD2 4.4Å; D353-F373 PolarHBondContact N-O 2.85Å; D353-F373 PolarHBondContact O-N 3.08Å; D353-R438 IonicContact OD1-CZ 3.7Å; D353-R438 IonicContact OD1-NE 3.25Å; D353-R438 PolarHBondContact OD1-NE 3.02Å; D353-R438 IonicContact OD1-NH2 2.79Å; D353-R438 PolarHBondContact OD1-NH2 3.3Å; D353-R438 IonicContact OD2-CZ 3.7Å; D353-R438 IonicContact OD2-NH2 3.29Å; D353-R438 PolarHBondContact OD2-NH2 3.49Å
354F96.3Very high89.2Confident2 Ų249.9 Ų49.91%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-147.8157.9172.574.4-81.1000112.3M351 I370 T371 M372 I424 L426 K436 R438 I440M351-F354 HydrophobicContact CE-CD1 4.22Å; M351-F354 HydrophobicContact SD-CB 4.46Å; M351-F354 HydrophobicContact SD-CD1 4.42Å; F354-I370 HydrophobicContact CB-CG2 4.1Å; F354-I370 HydrophobicContact CD2-CG2 4.01Å; F354-I370 HydrophobicContact CG-CG2 4.43Å; F354-T371 CarbonylContact C-O 3.52Å; F354-T371 VanDerWaalsContact CA-O 3.27Å; F354-T371 WeakPolarHBondContact CA-O 3.21Å; F354-M372 HydrophobicContact CB-CG 4.17Å; F354-I424 HydrophobicContact CE2-CG2 4.49Å; F354-I424 WeakPolarHBondContact CZ-O 3.38Å; F354-L426 HydrophobicContact CB-CD1 4.35Å; F354-L426 HydrophobicContact CD1-CB 4.12Å; F354-L426 HydrophobicContact CD1-CD1 3.65Å; F354-L426 HydrophobicContact CD2-CD1 3.34Å; F354-L426 HydrophobicContact CE1-CB 4.14Å; F354-L426 HydrophobicContact CE1-CD1 3.68Å; F354-L426 HydrophobicContact CE2-CD1 3.36Å; F354-L426 HydrophobicContact CG-CD1 3.49Å; F354-L426 VanDerWaalsContact CG-CD1 3.49Å; F354-L426 HydrophobicContact CZ-CD1 3.54Å; F354-K436 HydrophobicContact CD1-CB 4.06Å; F354-K436 HydrophobicContact CE1-CB 3.77Å; F354-K436 VanDerWaalsContact CE1-O 3.3Å; F354-K436 WeakPolarHBondContact CE1-O 3.47Å; F354-R438 HydrophobicContact CE1-CB 4.49Å; F354-R438 HydrophobicContact CE1-CG 3.87Å; F354-R438 HydrophobicContact CE2-CB 3.86Å; F354-R438 HydrophobicContact CE2-CG 3.88Å; F354-R438 HydrophobicContact CZ-CB 3.66Å; F354-R438 HydrophobicContact CZ-CG 3.51Å; F354-I440 HydrophobicContact CE2-CD1 4.31Å
355T96.9Very high89.3Confident72 Ų7249 Ų4944%0.44227%0.27SS..EExtended strand (participates in β ladder)trans-131.2166.3166.858.90000109.2I370 T371 F373T355-I370 CarbonylContact O-C 3.57Å; T355-I370 WeakPolarHBondContact O-CA 3.33Å; T355-I370 WeakPolarHBondContact O-CG2 3.46Å; T355-T371 PolarHBondContact N-O 2.83Å; T355-T371 PolarHBondContact O-N 2.8Å; T355-F373 HydrophobicContact CG2-CE2 3.89Å
356G95Very high89.6Confident24 Ų2447 Ų4725%0.24726%0.262CS..EExtended strand (participates in β ladder)trans-174.4-177.5174.500000114.1N369 I440G356-N369 CarbonylContact C-O 3.49Å; G356-N369 WeakPolarHBondContact CA-O 3.21Å; G356-I440 WeakPolarHBondContact O-CG2 3.08Å
357V95.8Very high90.2Very high36 Ų3641.4 Ų41.422%0.21824%0.24CC..EExtended strand (participates in β ladder)trans-146.2136.3174.460.50000108.9N369 I440 S441V357-N369 HydrophobicContact CG1-CB 3.97Å; V357-N369 PolarHBondContact N-O 3.29Å; V357-N369 PolarHBondContact O-N 2.86Å; V357-I440 VanDerWaalsContact CA-CG2 3.44Å; V357-S441 WeakPolarHBondContact CG2-O 3.37Å
358V94.4Very high90.9Very high1 Ų136.4 Ų36.41%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-83.9118.2165.7-179.50000106.5L368 V418 I424 I440 S441 Y442 S443V358-L368 HydrophobicContact CG2-CD1 3.83Å; V358-V418 HydrophobicContact CG1-CG1 3.76Å; V358-V418 HydrophobicContact CG2-CG1 4.3Å; V358-I424 HydrophobicContact CG2-CD1 4.39Å; V358-I440 HydrophobicContact CG2-CG2 4.05Å; V358-S441 PolarHBondContact N-O 2.93Å; V358-Y442 HydrophobicContact CB-CD2 4.06Å; V358-Y442 HydrophobicContact CG1-CD2 3.59Å; V358-Y442 HydrophobicContact CG1-CE2 4.08Å; V358-Y442 CarbonylContact O-C 3.54Å; V358-Y442 WeakPolarHBondContact O-CA 3.32Å; V358-S443 PolarHBondContact O-N 2.86Å
359Q92.9Very high91.4Very high35 Ų3536.5 Ų36.516%0.16421%0.206CC..EExtended strand (participates in β ladder)trans-121.4135.1-175.5-169.4175.5-0.400111.4R366 Y367 S443 E445Q359-R366 WeakPolarHBondContact O-CA 3Å; Q359-Y367 HydrophobicContact CB-CD2 4.23Å; Q359-Y367 HydrophobicContact CB-CE2 3.68Å; Q359-Y367 HydrophobicContact CG-CE2 4.18Å; Q359-Y367 PolarHBondContact N-O 3.05Å; Q359-Y367 PolarHBondContact NE2-OH 2.73Å; Q359-Y367 PolarHBondContact O-N 2.93Å; Q359-Y367 PolarHBondContact OE1-OH 3.13Å; Q359-S443 CarbonylContact C-O 3.52Å; Q359-S443 WeakPolarHBondContact CA-O 3.36Å; Q359-E445 PolarHBondContact NE2-OE1 3.17Å
360M92.3Very high91.6Very high32 Ų3236.3 Ų36.316%0.15821%0.205CC..EExtended strand (participates in β ladder)trans-107113.7161.1178.9-175.2-74.200107.9N365 R366 Y442 S443 A444 E445M360-N365 WeakPolarHBondContact CA-O 3.23Å; M360-R366 HydrophobicContact CB-CG 4.47Å; M360-R366 HydrophobicContact CE-CG 3.96Å; M360-R366 VanDerWaalsContact CE-CZ 3.45Å; M360-R366 HydrophobicContact CG-CG 4.4Å; M360-Y442 WeakPolarHBondContact CE-OH 3.44Å; M360-S443 PolarHBondContact N-O 2.91Å; M360-A444 HydrophobicContact CB-CB 4.07Å; M360-A444 WeakPolarHBondContact O-CA 3.46Å; M360-A444 HydrophobicContact SD-CB 4.38Å; M360-E445 PolarHBondContact O-N 2.84Å
361D88.4Confident91.8Very high11 Ų1133.7 Ų33.76%0.05920%0.195CC..  trans-79.8171.4-179.872.59.7000112.4K363 S364 N365 Y367D361-K363 PolarHBondContact O-N 3.36Å; D361-K363 VanDerWaalsContact OD1-C 3.24Å; D361-K363 VanDerWaalsContact OD1-CA 3.24Å; D361-K363 WeakPolarHBondContact OD1-CA 3.44Å; D361-K363 WeakPolarHBondContact OD1-CB 3.1Å; D361-K363 PolarHBondContact OD1-N 3.42Å; D361-S364 PolarHBondContact O-N 3.17Å; D361-S364 PolarHBondContact OD1-N 3.49Å; D361-N365 PolarHBondContact N-O 2Å; D361-N365 WeakPolarHBondContact OD1-CB 3.49Å; D361-N365 PolarHBondContact OD1-N 3.04Å; D361-N365 PolarHBondContact OD1-ND2 3.47Å; D361-N365 WeakPolarHBondContact OD2-CB 3.4Å; D361-N365 PolarHBondContact OD2-ND2 3.09Å; D361-Y367 HydrophobicContact CB-CE1 4.09Å
362S86.2Confident91.8Very high33 Ų3332.8 Ų32.823%0.23119%0.19CC..THydrogen-bonded Turntrans-61.91.3174.660.10000114.9E445 P446 P448S362-E445 WeakPolarHBondContact CB-OE2 3.15Å; S362-E445 PolarHBondContact N-OE2 2.89Å; S362-E445 VanDerWaalsContact N-OE2 3.13Å; S362-E445 PolarHBondContact OG-OE2 2.94Å; S362-P446 WeakPolarHBondContact CB-O 3.01Å; S362-P448 WeakPolarHBondContact O-CD 3.49Å
363K82.7Confident91.8Very high59 Ų5934.3 Ų34.326%0.25719%0.187SC..THydrogen-bonded Turntrans-112.28174.4-51.8-60.6159.9-154.60112.7H296 A301 D361 N365H296-K363 PolarHBondContact CD2-NZ 2.83Å; H296-K363 VanDerWaalsContact CD2-NZ 3.31Å; H296-K363 PolarHBondContact CE1-NZ 3.29Å; H296-K363 PolarHBondContact NE2-NZ 3.49Å; A301-K363 HydrophobicContact CB-CG 4.35Å; D361-K363 PolarHBondContact O-N 3.36Å; D361-K363 VanDerWaalsContact OD1-C 3.24Å; D361-K363 VanDerWaalsContact OD1-CA 3.24Å; D361-K363 WeakPolarHBondContact OD1-CA 3.44Å; D361-K363 WeakPolarHBondContact OD1-CB 3.1Å; D361-K363 PolarHBondContact OD1-N 3.42Å; K363-N365 PolarHBondContact O-N 2.98Å
364S86.3Confident91.7Very high65 Ų6538.6 Ų38.646%0.45520%0.203SC..  trans64.915.5-175.8-53.60000114.5D361 L447D361-S364 PolarHBondContact O-N 3.17Å; D361-S364 PolarHBondContact OD1-N 3.49Å; S364-L447 WeakPolarHBondContact OG-CD2 3.01Å
365N86.4Confident91.5Very high42 Ų4238.5 Ų38.523%0.22520%0.203CC..  trans-72.1132.6168-58.1-53.3000108.5A301 M360 D361 K363 Y367A301-N365 PolarHBondContact O-ND2 2.84Å; M360-N365 WeakPolarHBondContact CA-O 3.23Å; D361-N365 PolarHBondContact N-O 2Å; D361-N365 WeakPolarHBondContact OD1-CB 3.49Å; D361-N365 PolarHBondContact OD1-N 3.04Å; D361-N365 PolarHBondContact OD1-ND2 3.47Å; D361-N365 WeakPolarHBondContact OD2-CB 3.4Å; D361-N365 PolarHBondContact OD2-ND2 3.09Å; K363-N365 PolarHBondContact O-N 2.98Å; N365-Y367 HydrophobicContact CB-CD1 4.14Å; N365-Y367 HydrophobicContact CB-CE1 4.32Å
366R88.8Confident91.2Very high76 Ų7637.2 Ų37.229%0.28719%0.191SC..EExtended strand (participates in β ladder)trans-110.6121.7175.5-57.6-178-164.8-164.31.2108.9Q359 M360 V414 A416Q359-R366 WeakPolarHBondContact O-CA 3Å; M360-R366 HydrophobicContact CB-CG 4.47Å; M360-R366 HydrophobicContact CE-CG 3.96Å; M360-R366 VanDerWaalsContact CE-CZ 3.45Å; M360-R366 HydrophobicContact CG-CG 4.4Å; R366-V414 HydrophobicContact CB-CG2 3.72Å; R366-V414 PolarHBondContact O-N 2.86Å; R366-V414 VanDerWaalsContact O-N 3.14Å; R366-A416 VanDerWaalsContact NH1-C 3.35Å; R366-A416 PolarHBondContact NH1-O 3.1Å
367Y90.3Very high90.8Very high26 Ų2636.2 Ų36.210%0.10218%0.18CC..EExtended strand (participates in β ladder)trans-144.9154.317952.9-95.1000110.9Q359 D361 N365 N369 L411 I412Q359-Y367 HydrophobicContact CB-CD2 4.23Å; Q359-Y367 HydrophobicContact CB-CE2 3.68Å; Q359-Y367 HydrophobicContact CG-CE2 4.18Å; Q359-Y367 PolarHBondContact N-O 3.05Å; Q359-Y367 PolarHBondContact NE2-OH 2.73Å; Q359-Y367 PolarHBondContact O-N 2.93Å; Q359-Y367 PolarHBondContact OE1-OH 3.13Å; D361-Y367 HydrophobicContact CB-CE1 4.09Å; N365-Y367 HydrophobicContact CB-CD1 4.14Å; N365-Y367 HydrophobicContact CB-CE1 4.32Å; Y367-N369 HydrophobicContact CD2-CB 4.35Å; Y367-N369 HydrophobicContact CE2-CB 4.43Å; Y367-L411 HydrophobicContact CD2-CD2 3.59Å; Y367-L411 HydrophobicContact CE2-CD2 3.88Å; Y367-L411 HydrophobicContact CG-CD2 4.39Å; Y367-I412 CarbonylContact C-O 3.56Å; Y367-I412 WeakPolarHBondContact CA-O 3.26Å; Y367-I412 WeakPolarHBondContact CB-O 3.4Å
368L91.9Very high90.4Very high2 Ų236 Ų361%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-98.8114.7170.2176.362.6000107.5V358 I370 F396 L411 I412 V414 I424 I440V358-L368 HydrophobicContact CG2-CD1 3.83Å; L368-I370 HydrophobicContact CD1-CG1 4.18Å; L368-I370 HydrophobicContact CD2-CD1 3.54Å; L368-I370 HydrophobicContact CD2-CG1 3.85Å; L368-I370 HydrophobicContact CG-CD1 3.84Å; L368-I370 HydrophobicContact CG-CG1 3.53Å; L368-F396 HydrophobicContact CD2-CE1 3.83Å; L368-F396 HydrophobicContact CD2-CZ 4.16Å; L368-L411 WeakPolarHBondContact O-CA 3.37Å; L368-I412 HydrophobicContact CB-CB 4.38Å; L368-I412 PolarHBondContact N-O 2.84Å; L368-I412 PolarHBondContact O-N 2.92Å; L368-V414 HydrophobicContact CB-CG1 3.75Å; L368-I424 HydrophobicContact CD1-CD1 3.41Å; L368-I424 VanDerWaalsContact CD1-CD1 3.41Å; L368-I424 HydrophobicContact CD2-CD1 3.57Å; L368-I424 HydrophobicContact CD2-CG2 4.44Å; L368-I424 HydrophobicContact CG-CD1 4.14Å; L368-I440 HydrophobicContact CD1-CG2 4.18Å
369N91.8Very high90.3Very high48 Ų4836 Ų3626%0.25718%0.179SC..EExtended strand (participates in β ladder)trans-94.8107.2175.5-177.3-4.4000108.4G356 V357 Y367 L411G356-N369 CarbonylContact C-O 3.49Å; G356-N369 WeakPolarHBondContact CA-O 3.21Å; V357-N369 HydrophobicContact CG1-CB 3.97Å; V357-N369 PolarHBondContact N-O 3.29Å; V357-N369 PolarHBondContact O-N 2.86Å; Y367-N369 HydrophobicContact CD2-CB 4.35Å; Y367-N369 HydrophobicContact CE2-CB 4.43Å; N369-L411 HydrophobicContact CB-CD2 3.7Å
370I94.1Very high90.3Very high2 Ų236.1 Ų36.11%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-111129.8-176.3-48.3179.5000108.6F354 T355 L368 M372 F396 S409 I410 I412 L426F354-I370 HydrophobicContact CB-CG2 4.1Å; F354-I370 HydrophobicContact CD2-CG2 4.01Å; F354-I370 HydrophobicContact CG-CG2 4.43Å; T355-I370 CarbonylContact O-C 3.57Å; T355-I370 WeakPolarHBondContact O-CA 3.33Å; T355-I370 WeakPolarHBondContact O-CG2 3.46Å; L368-I370 HydrophobicContact CD1-CG1 4.18Å; L368-I370 HydrophobicContact CD2-CD1 3.54Å; L368-I370 HydrophobicContact CD2-CG1 3.85Å; L368-I370 HydrophobicContact CG-CD1 3.84Å; L368-I370 HydrophobicContact CG-CG1 3.53Å; I370-M372 HydrophobicContact CG2-CG 3.74Å; I370-M372 HydrophobicContact CG2-SD 4.49Å; I370-F396 HydrophobicContact CD1-CE1 4.32Å; I370-F396 HydrophobicContact CD1-CE2 3.97Å; I370-F396 HydrophobicContact CD1-CZ 3.42Å; I370-F396 VanDerWaalsContact CD1-CZ 3.42Å; I370-S409 CarbonylContact O-C 3.58Å; I370-S409 WeakPolarHBondContact O-CA 3.28Å; I370-I410 HydrophobicContact CB-CG1 4.02Å; I370-I410 PolarHBondContact N-O 3.21Å; I370-I410 PolarHBondContact O-N 2.03Å; I370-I412 HydrophobicContact CD1-CD1 3.78Å; I370-L426 HydrophobicContact CD1-CD1 4.28Å; I370-L426 HydrophobicContact CD1-CD2 4.38Å; I370-L426 HydrophobicContact CG2-CD1 4.31Å
371T94.8Very high90.4Very high35 Ų3534.6 Ų34.622%0.21517%0.173CC..EExtended strand (participates in β ladder)trans-107.7115.6166.3-59.10000109.1F354 T355 F373 S409F354-T371 CarbonylContact C-O 3.52Å; F354-T371 VanDerWaalsContact CA-O 3.27Å; F354-T371 WeakPolarHBondContact CA-O 3.21Å; T355-T371 PolarHBondContact N-O 2.83Å; T355-T371 PolarHBondContact O-N 2.8Å; T371-F373 HydrophobicContact CG2-CE1 4.14Å; T371-F373 HydrophobicContact CG2-CE2 4.42Å; T371-F373 HydrophobicContact CG2-CZ 3.92Å; T371-S409 PolarHBondContact OG1-OG 2.02Å
372M93.7Very high90.7Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-100.7136.9-179-58.9166.8-63.500109.1F354 I370 A375 L379 V400 N407 V408 I410 L426F354-M372 HydrophobicContact CB-CG 4.17Å; I370-M372 HydrophobicContact CG2-CG 3.74Å; I370-M372 HydrophobicContact CG2-SD 4.49Å; M372-A375 HydrophobicContact CB-CB 3.81Å; M372-L379 HydrophobicContact CE-CD1 4.34Å; M372-L379 HydrophobicContact CG-CD1 4.37Å; M372-L379 HydrophobicContact SD-CD1 3.29Å; M372-L379 WeakPolarHBondContact SD-CD1 3Å; M372-V400 HydrophobicContact CE-CG1 4.2Å; M372-V400 HydrophobicContact CE-CG2 3.45Å; M372-V400 VanDerWaalsContact CE-CG2 3.45Å; M372-V400 HydrophobicContact SD-CG2 4.17Å; M372-N407 CarbonylContact O-C 3.56Å; M372-N407 VanDerWaalsContact O-CA 3.27Å; M372-N407 WeakPolarHBondContact O-CA 3.03Å; M372-V408 PolarHBondContact N-O 3.28Å; M372-V408 PolarHBondContact O-N 2.94Å; M372-I410 HydrophobicContact CE-CB 4.39Å; M372-I410 HydrophobicContact CE-CD1 3.59Å; M372-I410 HydrophobicContact CE-CG1 3.78Å; M372-I410 HydrophobicContact CE-CG2 3.76Å; M372-I410 HydrophobicContact SD-CD1 4.04Å; M372-L426 HydrophobicContact SD-CD2 4.42Å
373F94.3Very high91.1Very high69 Ų6934.5 Ų34.530%0.30317%0.168SC..EExtended strand (participates in β ladder)trans-106.5132.5-178.1-59.3-79.7000110G352 D353 T355 T371 A375 N407G352-F373 WeakPolarHBondContact CA-O 3.44Å; G352-F373 PolarHBondContact N-O 2.78Å; D353-F373 HydrophobicContact CB-CD2 4.4Å; D353-F373 PolarHBondContact N-O 2.85Å; D353-F373 PolarHBondContact O-N 3.08Å; T355-F373 HydrophobicContact CG2-CE2 3.89Å; T371-F373 HydrophobicContact CG2-CE1 4.14Å; T371-F373 HydrophobicContact CG2-CE2 4.42Å; T371-F373 HydrophobicContact CG2-CZ 3.92Å; F373-A375 VanDerWaalsContact C-N 3.32Å; F373-A375 PolarHBondContact O-N 3.33Å; F373-N407 WeakPolarHBondContact CA-OD1 2.97Å; F373-N407 HydrophobicContact CD1-CB 4.48Å
374K92.7Very high91.7Very high141 Ų14132.1 Ų32.161%0.61316%0.158SC*.EExtended strand (participates in β ladder)trans50.752.3-178.1-59-179.9179.4-179.10111.9M351 G352 I405 R406 N407M351-K374 WeakPolarHBondContact CA-O 3.39Å; G352-K374 PolarHBondContact N-O 3.27Å; K374-I405 HydrophobicContact CB-CG2 3.53Å; K374-I405 HydrophobicContact CG-CG2 4.14Å; K374-R406 PolarHBondContact N-O 3.23Å; K374-N407 PolarHBondContact N-OD1 2.78Å
375A91.5Very high91.8Very high0 Ų032.2 Ų32.20%015%0.154CC..EExtended strand (participates in β ladder)trans-101.4146.5-17800000112.1E350 M372 F373 L379 V400 R406E350-A375 CarbonylContact O-C 3.59Å; E350-A375 VanDerWaalsContact O-CA 3.28Å; E350-A375 WeakPolarHBondContact O-CA 3.33Å; M372-A375 HydrophobicContact CB-CB 3.81Å; F373-A375 VanDerWaalsContact C-N 3.32Å; F373-A375 PolarHBondContact O-N 3.33Å; A375-L379 HydrophobicContact CB-CD1 4.05Å; A375-V400 HydrophobicContact CB-CB 4.32Å; A375-V400 HydrophobicContact CB-CG1 3.79Å; A375-V400 HydrophobicContact CB-CG2 4.44Å; A375-R406 PolarHBondContact N-O 3.39Å; A375-R406 PolarHBondContact O-N 3.01Å; A375-R406 VanDerWaalsContact O-N 3.17Å
376K90.4Very high92Very high45 Ų4531.5 Ų31.520%0.19615%0.152CC..BIsolated β-bridgetrans-154.6146.1174.1172.4174.3165.8158.60110S349 E350 C402 I405S349-K376 VanDerWaalsContact CA-O 3.3Å; S349-K376 WeakPolarHBondContact CA-O 3.38Å; E350-K376 PolarHBondContact N-O 2.77Å; E350-K376 PolarHBondContact O-N 2.98Å; K376-C402 WeakPolarHBondContact CE-O 3.25Å; K376-C402 PolarHBondContact NZ-O 3.06Å; K376-I405 HydrophobicContact CB-CG1 4.35Å
377G87.4Confident92Very high2 Ų232.9 Ų32.92%0.02117%0.165CC..SBendtrans77.2-157175.900000113.3V400 G401G377-V400 PolarHBondContact O-N 3.47Å; G377-G401 PolarHBondContact N-O 2.86Å
378T87.4Confident91.9Very high31 Ų3136.9 Ų36.919%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-88.8130-179.7-520000111E11 S349 I380 S398 Y429E11-T378 PolarHBondContact OE1-OG1 2.9Å; S349-T378 WeakPolarHBondContact CB-O 3.29Å; S349-T378 PolarHBondContact OG-N 2.82Å; S349-T378 PolarHBondContact OG-O 3.49Å; T378-I380 HydrophobicContact CG2-CD1 4.45Å; T378-S398 WeakPolarHBondContact CA-O 3.29Å; T378-Y429 WeakPolarHBondContact O-CB 3.4Å; T378-Y429 PolarHBondContact O-N 2.91Å
379L91.1Very high91.8Very high1 Ų139.8 Ų39.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-116.5141177.1-57.2179.1000109.7M351 M372 A375 S397 S398 V400 P428M351-L379 HydrophobicContact CB-CD1 4.28Å; M351-L379 HydrophobicContact CB-CD2 3.89Å; M351-L379 HydrophobicContact CG-CD1 4.23Å; M351-L379 HydrophobicContact SD-CD1 4.02Å; M372-L379 HydrophobicContact CE-CD1 4.34Å; M372-L379 HydrophobicContact CG-CD1 4.37Å; M372-L379 HydrophobicContact SD-CD1 3.29Å; M372-L379 WeakPolarHBondContact SD-CD1 3Å; A375-L379 HydrophobicContact CB-CD1 4.05Å; L379-S397 WeakPolarHBondContact O-CA 3.02Å; L379-S398 PolarHBondContact N-O 2.92Å; L379-S398 PolarHBondContact O-N 2.79Å; L379-V400 HydrophobicContact CD1-CG2 3.8Å; L379-V400 HydrophobicContact CG-CG2 4.2Å; L379-P428 HydrophobicContact CD2-CB 4.04Å; L379-P428 HydrophobicContact CD2-CG 4.27Å
380I93Very high91.4Very high39 Ų3943 Ų4320%0.222%0.222CC..EExtended strand (participates in β ladder)trans-107.2133.8177.8-53.6-57.3000108.1T378 L426 H427 Y429T378-I380 HydrophobicContact CG2-CD1 4.45Å; I380-L426 CarbonylContact O-C 3.56Å; I380-L426 VanDerWaalsContact O-CA 3.29Å; I380-L426 WeakPolarHBondContact O-CA 3.48Å; I380-H427 PolarHBondContact N-O 3.26Å; I380-H427 PolarHBondContact O-N 2.79Å; I380-Y429 HydrophobicContact CD1-CD2 4.25Å; I380-Y429 HydrophobicContact CG1-CD2 4.32Å
381G94.1Very high91.2Very high0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-124.2139.117900000112.3A395 F396 C425G381-A395 CarbonylContact O-C 3.58Å; G381-A395 VanDerWaalsContact O-CA 3.22Å; G381-A395 WeakPolarHBondContact O-CA 3.2Å; G381-F396 PolarHBondContact N-O 2.99Å; G381-F396 PolarHBondContact O-N 3.43Å; G381-C425 CarbonylContact C-O 3.53Å; G381-C425 VanDerWaalsContact CA-O 3.3Å; G381-C425 WeakPolarHBondContact CA-O 3.08Å
382E94.8Very high91Very high39 Ų3951.4 Ų51.418%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-126.8130.7-178.8-59.5175.6141.700108.6F384 M392 I424 C425 R435E382-F384 HydrophobicContact CB-CD2 4.38Å; E382-F384 HydrophobicContact CB-CE2 3.52Å; E382-F384 HydrophobicContact CB-CZ 3.88Å; E382-M392 HydrophobicContact CB-CE 4.08Å; E382-M392 HydrophobicContact CG-CE 3.85Å; E382-M392 WeakPolarHBondContact OE1-CE 3.32Å; E382-I424 WeakPolarHBondContact O-CA 3.24Å; E382-C425 PolarHBondContact N-O 3.04Å; E382-C425 PolarHBondContact O-N 3.15Å; E382-R435 IonicContact OE2-NH1 2.67Å
383V95Very high90.7Very high2 Ų253.4 Ų53.41%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-114.6121.5-178.9-177.20000108.9E393 F394 F396 V418 K422 I424V383-E393 PolarHBondContact O-N 2.85Å; V383-F394 HydrophobicContact CB-CB 4.16Å; V383-F394 HydrophobicContact CG2-CB 4.47Å; V383-F394 HydrophobicContact CG2-CD1 3.94Å; V383-F394 PolarHBondContact N-O 3.26Å; V383-F394 PolarHBondContact O-N 2.53Å; V383-F396 HydrophobicContact CG2-CD1 4.48Å; V383-F396 HydrophobicContact CG2-CE1 4.14Å; V383-V418 HydrophobicContact CG1-CG2 4.32Å; V383-K422 HydrophobicContact CG1-CB 3.81Å; V383-K422 HydrophobicContact CG1-CG 3.93Å; V383-I424 HydrophobicContact CG1-CG1 4.33Å; V383-I424 HydrophobicContact CG2-CD1 4.3Å; V383-I424 HydrophobicContact CG2-CG1 4.28Å; V383-I424 HydrophobicContact CG2-CG2 4.36Å
384F95Very high90.5Very high10 Ų1052.4 Ų52.44%0.04426%0.264CS..EExtended strand (participates in β ladder)trans-113.7150-179.3-58.6-88.7000110.7E382 S386 E389 K391 M392 W423 C425E382-F384 HydrophobicContact CB-CD2 4.38Å; E382-F384 HydrophobicContact CB-CE2 3.52Å; E382-F384 HydrophobicContact CB-CZ 3.88Å; F384-S386 VanDerWaalsContact C-N 3.3Å; F384-S386 WeakPolarHBondContact CB-O 3.27Å; F384-E389 HydrophobicContact CD1-CB 3.92Å; F384-E389 HydrophobicContact CD1-CG 4.27Å; F384-E389 HydrophobicContact CD2-CG 4.12Å; F384-E389 HydrophobicContact CE1-CB 3.93Å; F384-E389 HydrophobicContact CE1-CG 4.36Å; F384-E389 HydrophobicContact CE2-CG 4.21Å; F384-E389 HydrophobicContact CG-CB 4.29Å; F384-E389 HydrophobicContact CG-CG 4.14Å; F384-E389 HydrophobicContact CZ-CB 4.31Å; F384-E389 HydrophobicContact CZ-CG 4.34Å; F384-K391 WeakPolarHBondContact CA-O 3.49Å; F384-M392 HydrophobicContact CD1-CB 4.07Å; F384-M392 HydrophobicContact CE1-CB 3.85Å; F384-M392 HydrophobicContact CE1-CE 4.08Å; F384-M392 HydrophobicContact CE1-CG 4.29Å; F384-M392 HydrophobicContact CZ-CE 3.9Å; F384-W423 HydrophobicContact CB-CB 4.3Å; F384-W423 PolarHBondContact N-O 3.05Å; F384-W423 PolarHBondContact O-N 2.68Å; F384-W423 VanDerWaalsContact O-N 3.12Å; F384-C425 HydrophobicContact CE2-CB 4.28Å
385D89.6Confident90.4Very high67 Ų6748.3 Ų48.336%0.35826%0.256SS..SBendtrans-66.6-35.9175.7-167.133.2000112K391 E393 K422D385-K391 PolarHBondContact N-O 2.85Å; D385-E393 HydrophobicContact CB-CG 4.41Å; D385-K422 IonicContact OD1-NZ 3.37Å; D385-K422 PolarHBondContact OD1-NZ 3.07Å
386S89.5Confident90.3Very high26 Ų2649.3 Ų49.318%0.18226%0.26CS..SBendtrans-135.3165.2-177.2820000112.2F384 V388 E389 D390 W423F384-S386 VanDerWaalsContact C-N 3.3Å; F384-S386 WeakPolarHBondContact CB-O 3.27Å; S386-V388 PolarHBondContact O-N 3.17Å; S386-V388 WeakPolarHBondContact OG-CB 3.4Å; S386-V388 PolarHBondContact OG-N 3.49Å; S386-E389 PolarHBondContact O-N 2.78Å; S386-D390 PolarHBondContact OG-OD1 3Å; S386-W423 WeakPolarHBondContact O-CB 3.44Å
387N89Confident90.2Very high106 Ų10651.1 Ų51.157%0.56728%0.279SS*.THydrogen-bonded Turntrans-71.2-4172.867.2-29.3000113.6W423 W439N387-W423 HydrophobicContact CB-CD2 3.95Å; N387-W423 HydrophobicContact CB-CE3 4.23Å; N387-W423 HydrophobicContact CB-CG 4.18Å; N387-W439 HydrophobicContact CB-CZ3 4.41Å
388V88.6Confident90.1Very high110 Ų11052.3 Ų52.367%0.66729%0.287SS*.THydrogen-bonded Turntrans-78.9-12.9174.2-172.10000110.9S386 D390S386-V388 PolarHBondContact O-N 3.17Å; S386-V388 WeakPolarHBondContact OG-CB 3.4Å; S386-V388 PolarHBondContact OG-N 3.49Å; V388-D390 HydrophobicContact CG1-CB 4.4Å; V388-D390 PolarHBondContact O-N 2.83Å
389E89Confident90Very high62 Ų6253 Ų5329%0.2929%0.286SS..  trans57.729.7-179.8-60176.7-163.200112.7F384 S386 W423 R435F384-E389 HydrophobicContact CD1-CB 3.92Å; F384-E389 HydrophobicContact CD1-CG 4.27Å; F384-E389 HydrophobicContact CD2-CG 4.12Å; F384-E389 HydrophobicContact CE1-CB 3.93Å; F384-E389 HydrophobicContact CE1-CG 4.36Å; F384-E389 HydrophobicContact CE2-CG 4.21Å; F384-E389 HydrophobicContact CG-CB 4.29Å; F384-E389 HydrophobicContact CG-CG 4.14Å; F384-E389 HydrophobicContact CZ-CB 4.31Å; F384-E389 HydrophobicContact CZ-CG 4.34Å; S386-E389 PolarHBondContact O-N 2.78Å; E389-W423 PolarHBondContact OE1-NE1 3.1Å; E389-R435 IonicContact OE1-CZ 3.81Å; E389-R435 IonicContact OE1-NH1 3.79Å; E389-R435 IonicContact OE1-NH2 3.7Å; E389-R435 PolarHBondContact OE1-NH2 3.25Å; E389-R435 IonicContact OE2-CZ 2.9Å; E389-R435 VanDerWaalsContact OE2-CZ 3.24Å; E389-R435 IonicContact OE2-NH1 3.34Å; E389-R435 PolarHBondContact OE2-NH1 2.79Å; E389-R435 IonicContact OE2-NH2 3.94Å; E389-R435 PolarHBondContact OE2-NH2 3.49Å
390D84.9Confident89.5Confident115 Ų11553 Ų5362%0.61529%0.286SS*.  trans-75.2-34.9-176.363.4-36.7000113S386 V388S386-D390 PolarHBondContact OG-OD1 3Å; V388-D390 HydrophobicContact CG1-CB 4.4Å; V388-D390 PolarHBondContact O-N 2.83Å
391K88.4Confident88.7Confident124 Ų12451.7 Ų51.754%0.53928%0.282SS..  trans-136.8109.2-178.2-172.7-176.6176.7-169.30111F384 D385 E393F384-K391 WeakPolarHBondContact CA-O 3.49Å; D385-K391 PolarHBondContact N-O 2.85Å; K391-E393 PolarHBondContact O-N 2.87Å
392M90.9Very high87.3Confident90 Ų9053.2 Ų53.244%0.44329%0.293SS..EExtended strand (participates in β ladder)trans-74120.6167.8-171.2-174.4-67.400109.1E382 F384 A395E382-M392 HydrophobicContact CB-CE 4.08Å; E382-M392 HydrophobicContact CG-CE 3.85Å; E382-M392 WeakPolarHBondContact OE1-CE 3.32Å; F384-M392 HydrophobicContact CD1-CB 4.07Å; F384-M392 HydrophobicContact CE1-CB 3.85Å; F384-M392 HydrophobicContact CE1-CE 4.08Å; F384-M392 HydrophobicContact CE1-CG 4.29Å; F384-M392 HydrophobicContact CZ-CE 3.9Å; M392-A395 HydrophobicContact SD-CB 3.99Å
393E88.9Confident86.1Confident42 Ų4260.6 Ų60.620%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-90.6-33.6177.7-67.8-167.2168.900112.3V383 D385 K391 K422V383-E393 PolarHBondContact O-N 2.85Å; D385-E393 HydrophobicContact CB-CG 4.41Å; K391-E393 PolarHBondContact O-N 2.87Å; E393-K422 VanDerWaalsContact CD-NZ 3.29Å; E393-K422 IonicContact OE1-NZ 3.27Å; E393-K422 PolarHBondContact OE1-NZ 3.28Å; E393-K422 WeakPolarHBondContact OE2-CE 2.95Å; E393-K422 IonicContact OE2-NZ 3.76Å; E393-K422 PolarHBondContact OE2-NZ 2.64Å
394F89.4Confident85.3Confident49 Ų4963.8 Ų63.822%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-157.7145-171.1177.5-113000110.3V383 F396 I412 G413 V414 P415V383-F394 HydrophobicContact CB-CB 4.16Å; V383-F394 HydrophobicContact CG2-CB 4.47Å; V383-F394 HydrophobicContact CG2-CD1 3.94Å; V383-F394 PolarHBondContact N-O 3.26Å; V383-F394 PolarHBondContact O-N 2.53Å; F394-F396 HydrophobicContact CD1-CD1 4.02Å; F394-F396 HydrophobicContact CE1-CB 3.88Å; F394-F396 AromaticContact CE1-CD1 3.63Å; F394-F396 HydrophobicContact CE1-CD1 3.63Å; F394-F396 HydrophobicContact CE1-CG 4.19Å; F394-F396 HydrophobicContact CZ-CB 4.02Å; F394-I412 HydrophobicContact CE1-CG2 4.01Å; F394-I412 HydrophobicContact CZ-CG2 4.2Å; F394-G413 WeakPolarHBondContact CZ-O 3.38Å; F394-V414 HydrophobicContact CD1-CG1 4.38Å; F394-V414 HydrophobicContact CE1-CG1 4.21Å; F394-P415 HydrophobicContact CB-CG 4.07Å; F394-P415 HydrophobicContact CD2-CG 3.93Å; F394-P415 HydrophobicContact CG-CG 4.13Å
395A90.9Very high84.8Confident55 Ų5567.6 Ų67.646%0.45537%0.37SS..EExtended strand (participates in β ladder)trans-135.3147.817200000109.5G381 M392G381-A395 CarbonylContact O-C 3.58Å; G381-A395 VanDerWaalsContact O-CA 3.22Å; G381-A395 WeakPolarHBondContact O-CA 3.2Å; M392-A395 HydrophobicContact SD-CB 3.99Å
396F89.2Confident84.8Confident20 Ų2070.1 Ų70.19%0.08837%0.374CS..EExtended strand (participates in β ladder)trans-142.4162.4-178.663-96.1000111.2L368 I370 G381 V383 F394 I412 L426L368-F396 HydrophobicContact CD2-CE1 3.83Å; L368-F396 HydrophobicContact CD2-CZ 4.16Å; I370-F396 HydrophobicContact CD1-CE1 4.32Å; I370-F396 HydrophobicContact CD1-CE2 3.97Å; I370-F396 HydrophobicContact CD1-CZ 3.42Å; I370-F396 VanDerWaalsContact CD1-CZ 3.42Å; G381-F396 PolarHBondContact N-O 2.99Å; G381-F396 PolarHBondContact O-N 3.43Å; V383-F396 HydrophobicContact CG2-CD1 4.48Å; V383-F396 HydrophobicContact CG2-CE1 4.14Å; F394-F396 HydrophobicContact CD1-CD1 4.02Å; F394-F396 HydrophobicContact CE1-CB 3.88Å; F394-F396 AromaticContact CE1-CD1 3.63Å; F394-F396 HydrophobicContact CE1-CD1 3.63Å; F394-F396 HydrophobicContact CE1-CG 4.19Å; F394-F396 HydrophobicContact CZ-CB 4.02Å; F396-I412 HydrophobicContact CB-CG2 4.13Å; F396-I412 HydrophobicContact CD1-CD1 4.07Å; F396-I412 HydrophobicContact CD1-CG2 4.35Å; F396-I412 HydrophobicContact CD2-CD1 3.18Å; F396-I412 HydrophobicContact CE1-CD1 3.99Å; F396-I412 HydrophobicContact CE2-CD1 3.08Å; F396-I412 HydrophobicContact CG-CD1 3.67Å; F396-I412 HydrophobicContact CG-CG2 4.11Å; F396-I412 HydrophobicContact CZ-CD1 3.51Å; F396-L426 HydrophobicContact CE2-CD2 3.94Å; F396-L426 HydrophobicContact CZ-CD2 3.99Å; F396-L426 HydrophobicContact CZ-CG 4.39Å
397S88.2Confident84.8Confident84 Ų8473.9 Ų73.959%0.58739%0.392SS*.EExtended strand (participates in β ladder)trans-128.1141169.160.90000108.8L379L379-S397 WeakPolarHBondContact O-CA 3.02Å
398S86Confident84.9Confident26 Ų2670.2 Ų70.218%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-141141.4179.1-173.50000110.7T378 L379 I410T378-S398 WeakPolarHBondContact CA-O 3.29Å; L379-S398 PolarHBondContact N-O 2.92Å; L379-S398 PolarHBondContact O-N 2.79Å; S398-I410 WeakPolarHBondContact OG-CD1 3.36Å
399Y84.3Confident84.9Confident45 Ų4568.6 Ų68.618%0.17637%0.367CS..EExtended strand (participates in β ladder)trans-104.7130.2180178.2-106.6000111.3D10 E11 G401 C402D10-Y399 HydrophobicContact CB-CD1 4.22Å; D10-Y399 HydrophobicContact CB-CE1 4.36Å; D10-Y399 WeakPolarHBondContact O-CE1 3.42Å; E11-Y399 HydrophobicContact CG-CD1 3.82Å; E11-Y399 HydrophobicContact CG-CD2 3.72Å; E11-Y399 HydrophobicContact CG-CE1 4.42Å; E11-Y399 HydrophobicContact CG-CE2 4.33Å; E11-Y399 HydrophobicContact CG-CG 3.43Å; E11-Y399 VanDerWaalsContact CG-CG 3.43Å; E11-Y399 WeakPolarHBondContact OE1-CB 3.44Å; Y399-G401 VanDerWaalsContact CZ-CA 3.49Å; Y399-C402 VanDerWaalsContact OH-CB 3.27Å; Y399-C402 WeakPolarHBondContact OH-CB 3.41Å; Y399-C402 PolarHBondContact OH-N 2.9Å; Y399-C402 PolarHBondContact OH-SG 3.42Å
400V81.5Confident84.8Confident1 Ų166.8 Ų66.81%0.00636%0.359CS..  trans-110.918.3-171-164.40000112.3M372 A375 G377 L379 R406 V408M372-V400 HydrophobicContact CE-CG1 4.2Å; M372-V400 HydrophobicContact CE-CG2 3.45Å; M372-V400 VanDerWaalsContact CE-CG2 3.45Å; M372-V400 HydrophobicContact SD-CG2 4.17Å; A375-V400 HydrophobicContact CB-CB 4.32Å; A375-V400 HydrophobicContact CB-CG1 3.79Å; A375-V400 HydrophobicContact CB-CG2 4.44Å; G377-V400 PolarHBondContact O-N 3.47Å; L379-V400 HydrophobicContact CD1-CG2 3.8Å; L379-V400 HydrophobicContact CG-CG2 4.2Å; V400-R406 PolarHBondContact O-NE 3.04Å; V400-R406 VanDerWaalsContact O-NE 3.1Å; V400-R406 PolarHBondContact O-NH2 2.66Å; V400-V408 HydrophobicContact CG1-CB 3.6Å; V400-V408 HydrophobicContact CG1-CG1 4.05Å; V400-V408 HydrophobicContact CG1-CG2 3.46Å; V400-V408 VanDerWaalsContact CG1-CG2 3.46Å
401G75.4Confident84.9Confident12 Ų1263.9 Ų63.912%0.12434%0.344CS..  trans82.4165.3-178.400000113.6G377 Y399G377-G401 PolarHBondContact N-O 2.86Å; Y399-G401 VanDerWaalsContact CZ-CA 3.49Å
402C65.5Low84.9Confident32 Ų3258.9 Ų58.922%0.21632%0.322CS..SBendtrans-110.2-21.1-173.9-91.80000115.8H347 K376 Y399H347-C402 PolarHBondContact CD2-SG 3.23Å; K376-C402 WeakPolarHBondContact CE-O 3.25Å; K376-C402 PolarHBondContact NZ-O 3.06Å; Y399-C402 VanDerWaalsContact OH-CB 3.27Å; Y399-C402 WeakPolarHBondContact OH-CB 3.41Å; Y399-C402 PolarHBondContact OH-N 2.9Å; Y399-C402 PolarHBondContact OH-SG 3.42Å
403E69.5Low84.7Confident194 Ų19455.7 Ų55.791%0.90731%0.313SS*.SBendtrans-77.2-50.6-164.5-66.1-173.8167.600113.7
404S77.7Confident84.7Confident70 Ų7054.5 Ų54.549%0.4931%0.308SS..SBendtrans-137.9144.8-174.462.70000111.4R406S404-R406 WeakPolarHBondContact O-CG 3.34Å; S404-R406 PolarHBondContact O-N 2.96Å
405I84.4Confident84.8Confident90 Ų9054.4 Ų54.446%0.46231%0.313SS..  trans-60.8121.2167.1-65.9174000108.2E350 K374 K376E350-I405 WeakPolarHBondContact OE2-CD1 3.42Å; K374-I405 HydrophobicContact CB-CG2 3.53Å; K374-I405 HydrophobicContact CG-CG2 4.14Å; K376-I405 HydrophobicContact CB-CG1 4.35Å
406R88.6Confident84.7Confident120 Ų12055.1 Ų55.145%0.45332%0.319SS..EExtended strand (participates in β ladder)trans-140.8163.6-175.951.5172.3-176.2-175.67.4112.2K374 A375 V400 S404 V408K374-R406 PolarHBondContact N-O 3.23Å; A375-R406 PolarHBondContact N-O 3.39Å; A375-R406 PolarHBondContact O-N 3.01Å; A375-R406 VanDerWaalsContact O-N 3.17Å; V400-R406 PolarHBondContact O-NE 3.04Å; V400-R406 VanDerWaalsContact O-NE 3.1Å; V400-R406 PolarHBondContact O-NH2 2.66Å; S404-R406 WeakPolarHBondContact O-CG 3.34Å; S404-R406 PolarHBondContact O-N 2.96Å; R406-V408 HydrophobicContact CB-CG2 4.33Å; R406-V408 HydrophobicContact CG-CG2 3.53Å
407N91.4Very high84.7Confident104 Ų10456.9 Ų56.956%0.55633%0.334SS*.EExtended strand (participates in β ladder)trans-89.6128167.6-61.8-15.2000108M372 F373 K374M372-N407 CarbonylContact O-C 3.56Å; M372-N407 VanDerWaalsContact O-CA 3.27Å; M372-N407 WeakPolarHBondContact O-CA 3.03Å; F373-N407 WeakPolarHBondContact CA-OD1 2.97Å; F373-N407 HydrophobicContact CD1-CB 4.48Å; K374-N407 PolarHBondContact N-OD1 2.78Å
408V89.3Confident84.8Confident29 Ų2953 Ų5318%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-138.7136.8-174.4-178.80000109.6M372 V400 R406 I410M372-V408 PolarHBondContact N-O 3.28Å; M372-V408 PolarHBondContact O-N 2.94Å; V400-V408 HydrophobicContact CG1-CB 3.6Å; V400-V408 HydrophobicContact CG1-CG1 4.05Å; V400-V408 HydrophobicContact CG1-CG2 3.46Å; V400-V408 VanDerWaalsContact CG1-CG2 3.46Å; R406-V408 HydrophobicContact CB-CG2 4.33Å; R406-V408 HydrophobicContact CG-CG2 3.53Å; V408-I410 HydrophobicContact CG1-CG2 4.03Å
409S89.6Confident84.9Confident77 Ų7756.3 Ų56.354%0.53832%0.322SS..EExtended strand (participates in β ladder)trans-102.9132.3170.2-55.40000109.7I370 T371I370-S409 CarbonylContact O-C 3.58Å; I370-S409 WeakPolarHBondContact O-CA 3.28Å; T371-S409 PolarHBondContact OG1-OG 2.02Å
410I87.1Confident85.4Confident23 Ų2356.2 Ų56.212%0.11833%0.328CS..EExtended strand (participates in β ladder)trans-125151.1177.362.1172.6000109.8I370 M372 S398 V408 I412I370-I410 HydrophobicContact CB-CG1 4.02Å; I370-I410 PolarHBondContact N-O 3.21Å; I370-I410 PolarHBondContact O-N 2.03Å; M372-I410 HydrophobicContact CE-CB 4.39Å; M372-I410 HydrophobicContact CE-CD1 3.59Å; M372-I410 HydrophobicContact CE-CG1 3.78Å; M372-I410 HydrophobicContact CE-CG2 3.76Å; M372-I410 HydrophobicContact SD-CD1 4.04Å; S398-I410 WeakPolarHBondContact OG-CD1 3.36Å; V408-I410 HydrophobicContact CG1-CG2 4.03Å; I410-I412 HydrophobicContact CD1-CD1 3.74Å; I410-I412 HydrophobicContact CD1-CG1 4.08Å; I410-I412 HydrophobicContact CG1-CD1 4.4Å; I410-I412 HydrophobicContact CG1-CG1 4.33Å
411L87.4Confident86Confident55 Ų5558 Ų5829%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-107.6141.1170.5-64.8171000107.8K303 Y367 L368 N369K303-L411 HydrophobicContact CB-CD1 3.95Å; K303-L411 HydrophobicContact CG-CD1 4.22Å; Y367-L411 HydrophobicContact CD2-CD2 3.59Å; Y367-L411 HydrophobicContact CE2-CD2 3.88Å; Y367-L411 HydrophobicContact CG-CD2 4.39Å; L368-L411 WeakPolarHBondContact O-CA 3.37Å; N369-L411 HydrophobicContact CB-CD2 3.7Å
412I87.6Confident86.9Confident18 Ų1857.6 Ų57.69%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-135.7119.1179.3-52.2-175.7000108.1Y367 L368 I370 F394 F396 I410 V414Y367-I412 CarbonylContact C-O 3.56Å; Y367-I412 WeakPolarHBondContact CA-O 3.26Å; Y367-I412 WeakPolarHBondContact CB-O 3.4Å; L368-I412 HydrophobicContact CB-CB 4.38Å; L368-I412 PolarHBondContact N-O 2.84Å; L368-I412 PolarHBondContact O-N 2.92Å; I370-I412 HydrophobicContact CD1-CD1 3.78Å; F394-I412 HydrophobicContact CE1-CG2 4.01Å; F394-I412 HydrophobicContact CZ-CG2 4.2Å; F396-I412 HydrophobicContact CB-CG2 4.13Å; F396-I412 HydrophobicContact CD1-CD1 4.07Å; F396-I412 HydrophobicContact CD1-CG2 4.35Å; F396-I412 HydrophobicContact CD2-CD1 3.18Å; F396-I412 HydrophobicContact CE1-CD1 3.99Å; F396-I412 HydrophobicContact CE2-CD1 3.08Å; F396-I412 HydrophobicContact CG-CD1 3.67Å; F396-I412 HydrophobicContact CG-CG2 4.11Å; F396-I412 HydrophobicContact CZ-CD1 3.51Å; I410-I412 HydrophobicContact CD1-CD1 3.74Å; I410-I412 HydrophobicContact CD1-CG1 4.08Å; I410-I412 HydrophobicContact CG1-CD1 4.4Å; I410-I412 HydrophobicContact CG1-CG1 4.33Å; I412-V414 PolarHBondContact O-N 2.88Å
413G86.9Confident88.4Confident24 Ų2458.6 Ų58.625%0.24733%0.334CS..EExtended strand (participates in β ladder)trans-61.1130173.300000111.2F394F394-G413 WeakPolarHBondContact CZ-O 3.38Å
414V89.5Confident89.6Confident16 Ų1649.4 Ų49.410%0.09729%0.292CS..  trans-113.8147.6-179.4-64.60000111.9R366 L368 F394 I412 V418R366-V414 HydrophobicContact CB-CG2 3.72Å; R366-V414 PolarHBondContact O-N 2.86Å; R366-V414 VanDerWaalsContact O-N 3.14Å; L368-V414 HydrophobicContact CB-CG1 3.75Å; F394-V414 HydrophobicContact CD1-CG1 4.38Å; F394-V414 HydrophobicContact CE1-CG1 4.21Å; I412-V414 PolarHBondContact O-N 2.88Å; V414-V418 HydrophobicContact CB-CB 4.1Å; V414-V418 HydrophobicContact CB-CG1 4.33Å; V414-V418 HydrophobicContact CB-CG2 4.26Å; V414-V418 HydrophobicContact CG2-CB 4.06Å; V414-V418 HydrophobicContact CG2-CG1 4.11Å
415P89.9Confident90.5Very high47 Ų4746 Ų4631%0.30527%0.268SS..  trans-67.9163178.827.8-34.4000112.1F394 S417 V418F394-P415 HydrophobicContact CB-CG 4.07Å; F394-P415 HydrophobicContact CD2-CG 3.93Å; F394-P415 HydrophobicContact CG-CG 4.13Å; P415-S417 PolarHBondContact O-N 2.64Å; P415-S417 VanDerWaalsContact O-N 3.08Å; P415-V418 HydrophobicContact CG-CG2 4.18Å; P415-V418 PolarHBondContact O-N 3.46Å
416A89.6Confident91Very high71 Ų7141.8 Ų41.859%0.58725%0.246SC*.THydrogen-bonded Turntrans-65.1-14.3-177.100000114.7R366 V418R366-A416 VanDerWaalsContact NH1-C 3.35Å; R366-A416 PolarHBondContact NH1-O 3.1Å; A416-V418 VanDerWaalsContact C-N 3.26Å
417S88.8Confident91.3Very high57 Ų5737.2 Ų37.240%0.39923%0.23SC..THydrogen-bonded Turntrans-66.4-28.4171.854.10000112.6P415 N419P415-S417 PolarHBondContact O-N 2.64Å; P415-S417 VanDerWaalsContact O-N 3.08Å; S417-N419 PolarHBondContact O-N 2.85Å; S417-N419 PolarHBondContact O-OD1 3.33Å
418V90Very high91.4Very high1 Ų132.2 Ų32.21%0.00620%0.204CC..  trans-82.184.9177-177.10000108.6V358 V383 V414 P415 A416 K422V358-V418 HydrophobicContact CG1-CG1 3.76Å; V358-V418 HydrophobicContact CG2-CG1 4.3Å; V383-V418 HydrophobicContact CG1-CG2 4.32Å; V414-V418 HydrophobicContact CB-CB 4.1Å; V414-V418 HydrophobicContact CB-CG1 4.33Å; V414-V418 HydrophobicContact CB-CG2 4.26Å; V414-V418 HydrophobicContact CG2-CB 4.06Å; V414-V418 HydrophobicContact CG2-CG1 4.11Å; P415-V418 HydrophobicContact CG-CG2 4.18Å; P415-V418 PolarHBondContact O-N 3.46Å; A416-V418 VanDerWaalsContact C-N 3.26Å; V418-K422 HydrophobicContact CG1-CG 3.85Å
419N90.1Very high91.4Very high96 Ų9636.4 Ų36.451%0.51322%0.217SC..  trans-123.410.2-17569.2-14.5000114.1S417S417-N419 PolarHBondContact O-N 2.85Å; S417-N419 PolarHBondContact O-OD1 3.33Å
420S93Very high91.2Very high43 Ų4338.8 Ų38.830%0.30122%0.219SC..SBendtrans-147.1174.9-177.261.30000109.5K422 Y442S420-K422 PolarHBondContact O-N 3.28Å; S420-K422 PolarHBondContact OG-NZ 3.46Å; S420-Y442 VanDerWaalsContact C-CB 3.42Å
421S94.6Very high91.3Very high40 Ų4040.7 Ų40.728%0.2823%0.227SC..  trans-60.4135.2171.8-56.70000109.4I440 Y442S421-I440 CarbonylContact C-O 3.59Å; S421-I440 VanDerWaalsContact CA-O 3.22Å; S421-I440 WeakPolarHBondContact CA-O 3.45Å; S421-I440 VanDerWaalsContact CB-O 3.28Å; S421-I440 WeakPolarHBondContact CB-O 3.37Å; S421-Y442 PolarHBondContact OG-N 3.07Å; S421-Y442 VanDerWaalsContact OG-N 3.15Å
422K94.8Very high91.4Very high2 Ų241.1 Ų41.11%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-124.6158.2-174.1-65.3-54.2-174178.90112.3V383 D385 E393 V418 S420 I424 I440V383-K422 HydrophobicContact CG1-CB 3.81Å; V383-K422 HydrophobicContact CG1-CG 3.93Å; D385-K422 IonicContact OD1-NZ 3.37Å; D385-K422 PolarHBondContact OD1-NZ 3.07Å; E393-K422 VanDerWaalsContact CD-NZ 3.29Å; E393-K422 IonicContact OE1-NZ 3.27Å; E393-K422 PolarHBondContact OE1-NZ 3.28Å; E393-K422 WeakPolarHBondContact OE2-CE 2.95Å; E393-K422 IonicContact OE2-NZ 3.76Å; E393-K422 PolarHBondContact OE2-NZ 2.64Å; V418-K422 HydrophobicContact CG1-CG 3.85Å; S420-K422 PolarHBondContact O-N 3.28Å; S420-K422 PolarHBondContact OG-NZ 3.46Å; K422-I424 HydrophobicContact CB-CG1 4.31Å; K422-I440 PolarHBondContact N-O 2.03Å; K422-I440 VanDerWaalsContact N-O 3.12Å; K422-I440 PolarHBondContact O-N 3.13Å
423W95.9Very high91.7Very high53 Ų5346.7 Ų46.720%0.20127%0.269CS..EExtended strand (participates in β ladder)trans-90.1119.9168.8-172.5-114.3000109.3F384 S386 N387 E389 C437 R438 W439F384-W423 HydrophobicContact CB-CB 4.3Å; F384-W423 PolarHBondContact N-O 3.05Å; F384-W423 PolarHBondContact O-N 2.68Å; F384-W423 VanDerWaalsContact O-N 3.12Å; S386-W423 WeakPolarHBondContact O-CB 3.44Å; N387-W423 HydrophobicContact CB-CD2 3.95Å; N387-W423 HydrophobicContact CB-CE3 4.23Å; N387-W423 HydrophobicContact CB-CG 4.18Å; E389-W423 PolarHBondContact OE1-NE1 3.1Å; W423-C437 HydrophobicContact CD2-CB 4.48Å; W423-C437 HydrophobicContact CH2-CB 4.26Å; W423-C437 HydrophobicContact CZ2-CB 3.42Å; W423-C437 VanDerWaalsContact CZ2-CB 3.42Å; W423-R438 VanDerWaalsContact CZ3-C 3.43Å; W423-W439 HydrophobicContact CB-CE3 4.02Å; W423-W439 HydrophobicContact CB-CZ3 3.97Å; W423-W439 HydrophobicContact CD2-CE3 4.4Å; W423-W439 HydrophobicContact CE3-CB 3.81Å; W423-W439 HydrophobicContact CE3-CD2 4.41Å; W423-W439 AromaticContact CE3-CE3 3.67Å; W423-W439 HydrophobicContact CE3-CE3 3.67Å; W423-W439 VanDerWaalsContact CE3-N 3.3Å; W423-W439 HydrophobicContact CZ3-CB 3.82Å; W423-W439 HydrophobicContact CZ3-CE3 4.47Å
424I95.7Very high91.9Very high1 Ų149.1 Ų49.11%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-120.7131.3-173.8-53.1-170.7000108.7F354 V358 L368 E382 V383 K422 L426 C437 R438 I440F354-I424 HydrophobicContact CE2-CG2 4.49Å; F354-I424 WeakPolarHBondContact CZ-O 3.38Å; V358-I424 HydrophobicContact CG2-CD1 4.39Å; L368-I424 HydrophobicContact CD1-CD1 3.41Å; L368-I424 VanDerWaalsContact CD1-CD1 3.41Å; L368-I424 HydrophobicContact CD2-CD1 3.57Å; L368-I424 HydrophobicContact CD2-CG2 4.44Å; L368-I424 HydrophobicContact CG-CD1 4.14Å; E382-I424 WeakPolarHBondContact O-CA 3.24Å; V383-I424 HydrophobicContact CG1-CG1 4.33Å; V383-I424 HydrophobicContact CG2-CD1 4.3Å; V383-I424 HydrophobicContact CG2-CG1 4.28Å; V383-I424 HydrophobicContact CG2-CG2 4.36Å; K422-I424 HydrophobicContact CB-CG1 4.31Å; I424-L426 HydrophobicContact CG2-CD1 4.11Å; I424-C437 CarbonylContact O-C 3.57Å; I424-C437 VanDerWaalsContact O-CA 3.23Å; I424-C437 WeakPolarHBondContact O-CA 3.29Å; I424-R438 PolarHBondContact N-O 2.9Å; I424-R438 PolarHBondContact O-N 3.4Å; I424-I440 HydrophobicContact CB-CG1 4.17Å; I424-I440 HydrophobicContact CD1-CB 3.96Å; I424-I440 HydrophobicContact CD1-CG1 3.83Å; I424-I440 HydrophobicContact CD1-CG2 4.34Å; I424-I440 HydrophobicContact CG1-CB 4.32Å; I424-I440 HydrophobicContact CG1-CG1 4.01Å
425C96.3Very high92.2Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-115.9135.7174.9-65.70000110G381 E382 F384 R435 K436 C437G381-C425 CarbonylContact C-O 3.53Å; G381-C425 VanDerWaalsContact CA-O 3.3Å; G381-C425 WeakPolarHBondContact CA-O 3.08Å; E382-C425 PolarHBondContact N-O 3.04Å; E382-C425 PolarHBondContact O-N 3.15Å; F384-C425 HydrophobicContact CE2-CB 4.28Å; C425-R435 HydrophobicContact CB-CG 3.92Å; C425-K436 CarbonylContact C-O 3.45Å; C425-K436 VanDerWaalsContact CA-O 3.24Å; C425-K436 WeakPolarHBondContact CA-O 3.33Å; C425-C437 HydrophobicContact CB-CB 4.13Å; C425-C437 WeakPolarHBondContact CB-SG 3.47Å; C425-C437 WeakPolarHBondContact SG-CB 3.45Å; C425-C437 CovalentContact SG-SG 2.05Å; C425-C437 PolarHBondContact SG-SG 2.88Å
426L95.9Very high92.5Very high1 Ų154.7 Ų54.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-125.6142.5172.4-76.2117.8000110.6M351 F354 I370 M372 I380 F396 I424 R435 K436M351-L426 HydrophobicContact CE-CB 3.79Å; M351-L426 WeakPolarHBondContact CE-O 2.97Å; M351-L426 HydrophobicContact SD-CB 3.91Å; F354-L426 HydrophobicContact CB-CD1 4.35Å; F354-L426 HydrophobicContact CD1-CB 4.12Å; F354-L426 HydrophobicContact CD1-CD1 3.65Å; F354-L426 HydrophobicContact CD2-CD1 3.34Å; F354-L426 HydrophobicContact CE1-CB 4.14Å; F354-L426 HydrophobicContact CE1-CD1 3.68Å; F354-L426 HydrophobicContact CE2-CD1 3.36Å; F354-L426 HydrophobicContact CG-CD1 3.49Å; F354-L426 VanDerWaalsContact CG-CD1 3.49Å; F354-L426 HydrophobicContact CZ-CD1 3.54Å; I370-L426 HydrophobicContact CD1-CD1 4.28Å; I370-L426 HydrophobicContact CD1-CD2 4.38Å; I370-L426 HydrophobicContact CG2-CD1 4.31Å; M372-L426 HydrophobicContact SD-CD2 4.42Å; I380-L426 CarbonylContact O-C 3.56Å; I380-L426 VanDerWaalsContact O-CA 3.29Å; I380-L426 WeakPolarHBondContact O-CA 3.48Å; F396-L426 HydrophobicContact CE2-CD2 3.94Å; F396-L426 HydrophobicContact CZ-CD2 3.99Å; F396-L426 HydrophobicContact CZ-CG 4.39Å; I424-L426 HydrophobicContact CG2-CD1 4.11Å; L426-R435 WeakPolarHBondContact O-CA 3.49Å; L426-K436 PolarHBondContact N-O 3.34Å; L426-K436 PolarHBondContact O-N 2.84Å
427H94.6Very high92.8Very high23 Ų2352.7 Ų52.711%0.10627%0.272CS..EExtended strand (participates in β ladder)trans-145.1152.6172.866.289.1000111.5I380 R435I380-H427 PolarHBondContact N-O 3.26Å; I380-H427 PolarHBondContact O-N 2.79Å; H427-R435 HydrophobicContact CB-CB 3.99Å; H427-R435 HydrophobicContact CB-CG 4.34Å
428P93Very high93.1Very high0 Ų055.3 Ų55.30%027%0.273CS..EExtended strand (participates in β ladder)trans-64.7149.5170.4-14.228.6000111.6S349 M351 L379 E430 K431 L434S349-P428 WeakPolarHBondContact O-CB 2.98Å; M351-P428 HydrophobicContact CB-CG 4.23Å; L379-P428 HydrophobicContact CD2-CB 4.04Å; L379-P428 HydrophobicContact CD2-CG 4.27Å; P428-E430 PolarHBondContact O-N 2.95Å; P428-K431 HydrophobicContact CB-CB 4.19Å; P428-K431 HydrophobicContact CB-CD 4.41Å; P428-K431 HydrophobicContact CG-CB 4.42Å; P428-K431 PolarHBondContact O-N 3.27Å; P428-L434 HydrophobicContact CG-CB 4.48Å
429Y88Confident93.4Very high116 Ų11661.6 Ų61.646%0.45530%0.297SS..THydrogen-bonded Turntrans-53137.3173.2-171.7-109000110.9T378 I380 K431T378-Y429 WeakPolarHBondContact O-CB 3.4Å; T378-Y429 PolarHBondContact O-N 2.91Å; I380-Y429 HydrophobicContact CD1-CD2 4.25Å; I380-Y429 HydrophobicContact CG1-CD2 4.32Å; Y429-K431 PolarHBondContact O-N 3.43Å
430E85.9Confident93.6Very high127 Ų12757.5 Ų57.559%0.59328%0.275SS*.THydrogen-bonded Turntrans59.81.6-174.1-66.4179.3170.900116.9P428P428-E430 PolarHBondContact O-N 2.95Å
431K90.3Very high93.8Very high64 Ų6458.8 Ų58.828%0.27828%0.284SS..  trans-121.961.2-179-59-178.5-173.7166.10112S349 P428 Y429 D433 L434S349-K431 PolarHBondContact O-NZ 3.05Å; P428-K431 HydrophobicContact CB-CB 4.19Å; P428-K431 HydrophobicContact CB-CD 4.41Å; P428-K431 HydrophobicContact CG-CB 4.42Å; P428-K431 PolarHBondContact O-N 3.27Å; Y429-K431 PolarHBondContact O-N 3.43Å; K431-D433 WeakPolarHBondContact CA-OD1 3.37Å; K431-D433 PolarHBondContact O-N 2.02Å; K431-L434 HydrophobicContact CB-CB 4.4Å; K431-L434 HydrophobicContact CB-CD1 4.06Å; K431-L434 HydrophobicContact CB-CG 4.22Å; K431-L434 HydrophobicContact CD-CD1 3.74Å; K431-L434 HydrophobicContact CG-CD1 4.49Å; K431-L434 PolarHBondContact O-N 3.32Å; K431-L434 VanDerWaalsContact O-N 3.11Å
432A89.7Confident93.8Very high64 Ų6459.9 Ų59.953%0.52928%0.283SS..G310 helixtrans-63.6-22.8179.800000113.1L434 R435A432-L434 PolarHBondContact O-N 2.86Å; A432-R435 VanDerWaalsContact O-CB 3.24Å; A432-R435 WeakPolarHBondContact O-CB 3.28Å; A432-R435 PolarHBondContact O-N 2.81Å
433D92Very high93.8Very high135 Ų13562.5 Ų62.572%0.72230%0.301SS*.G310 helixtrans-64.9-25.9173.463.1-48.3000113.1K431 R435K431-D433 WeakPolarHBondContact CA-OD1 3.37Å; K431-D433 PolarHBondContact O-N 2.02Å; D433-R435 VanDerWaalsContact C-N 3.26Å; D433-R435 PolarHBondContact O-N 3.15Å
434L93Very high93.7Very high74 Ų7462.6 Ų62.639%0.38731%0.313SS..G310 helixtrans-89.115.3178-59.6-176.5000113.4P428 K431 A432 K436P428-L434 HydrophobicContact CG-CB 4.48Å; K431-L434 HydrophobicContact CB-CB 4.4Å; K431-L434 HydrophobicContact CB-CD1 4.06Å; K431-L434 HydrophobicContact CB-CG 4.22Å; K431-L434 HydrophobicContact CD-CD1 3.74Å; K431-L434 HydrophobicContact CG-CD1 4.49Å; K431-L434 PolarHBondContact O-N 3.32Å; K431-L434 VanDerWaalsContact O-N 3.11Å; A432-L434 PolarHBondContact O-N 2.86Å; L434-K436 PolarHBondContact O-N 3.01Å
435R94.5Very high93.6Very high94 Ų9466.4 Ų66.436%0.35533%0.331SS..  trans-57.3131-179.7-171.7175.575.6154.69.7112E382 E389 C425 L426 H427 A432 D433E382-R435 IonicContact OE2-NH1 2.67Å; E389-R435 IonicContact OE1-CZ 3.81Å; E389-R435 IonicContact OE1-NH1 3.79Å; E389-R435 IonicContact OE1-NH2 3.7Å; E389-R435 PolarHBondContact OE1-NH2 3.25Å; E389-R435 IonicContact OE2-CZ 2.9Å; E389-R435 VanDerWaalsContact OE2-CZ 3.24Å; E389-R435 IonicContact OE2-NH1 3.34Å; E389-R435 PolarHBondContact OE2-NH1 2.79Å; E389-R435 IonicContact OE2-NH2 3.94Å; E389-R435 PolarHBondContact OE2-NH2 3.49Å; C425-R435 HydrophobicContact CB-CG 3.92Å; L426-R435 WeakPolarHBondContact O-CA 3.49Å; H427-R435 HydrophobicContact CB-CB 3.99Å; H427-R435 HydrophobicContact CB-CG 4.34Å; A432-R435 VanDerWaalsContact O-CB 3.24Å; A432-R435 WeakPolarHBondContact O-CB 3.28Å; A432-R435 PolarHBondContact O-N 2.81Å; D433-R435 VanDerWaalsContact C-N 3.26Å; D433-R435 PolarHBondContact O-N 3.15Å
436K95.9Very high93.2Very high87 Ų8771.8 Ų71.838%0.37837%0.366SS..EExtended strand (participates in β ladder)trans-113.8137.3172.3-57.1-58179.4-171.40108M351 F354 C425 L426 L434M351-K436 HydrophobicContact CE-CB 3.98Å; M351-K436 HydrophobicContact CE-CG 3.81Å; F354-K436 HydrophobicContact CD1-CB 4.06Å; F354-K436 HydrophobicContact CE1-CB 3.77Å; F354-K436 VanDerWaalsContact CE1-O 3.3Å; F354-K436 WeakPolarHBondContact CE1-O 3.47Å; C425-K436 CarbonylContact C-O 3.45Å; C425-K436 VanDerWaalsContact CA-O 3.24Å; C425-K436 WeakPolarHBondContact CA-O 3.33Å; L426-K436 PolarHBondContact N-O 3.34Å; L426-K436 PolarHBondContact O-N 2.84Å; L434-K436 PolarHBondContact O-N 3.01Å
437C96.3Very high92.7Very high29 Ų2977.3 Ų77.320%0.19639%0.394CS..EExtended strand (participates in β ladder)trans-129.4141.9178.5-55.30000111.3W423 I424 C425W423-C437 HydrophobicContact CD2-CB 4.48Å; W423-C437 HydrophobicContact CH2-CB 4.26Å; W423-C437 HydrophobicContact CZ2-CB 3.42Å; W423-C437 VanDerWaalsContact CZ2-CB 3.42Å; I424-C437 CarbonylContact O-C 3.57Å; I424-C437 VanDerWaalsContact O-CA 3.23Å; I424-C437 WeakPolarHBondContact O-CA 3.29Å; C425-C437 HydrophobicContact CB-CB 4.13Å; C425-C437 WeakPolarHBondContact CB-SG 3.47Å; C425-C437 WeakPolarHBondContact SG-CB 3.45Å; C425-C437 CovalentContact SG-SG 2.05Å; C425-C437 PolarHBondContact SG-SG 2.88Å
438R95.8Very high91.9Very high112 Ų11279.6 Ų79.642%0.42341%0.412SS..EExtended strand (participates in β ladder)trans-142147.2-177.3-62.4-66.2-175.1-164.54.5110.8D353 F354 W423 I424 I440D353-R438 IonicContact OD1-CZ 3.7Å; D353-R438 IonicContact OD1-NE 3.25Å; D353-R438 PolarHBondContact OD1-NE 3.02Å; D353-R438 IonicContact OD1-NH2 2.79Å; D353-R438 PolarHBondContact OD1-NH2 3.3Å; D353-R438 IonicContact OD2-CZ 3.7Å; D353-R438 IonicContact OD2-NH2 3.29Å; D353-R438 PolarHBondContact OD2-NH2 3.49Å; F354-R438 HydrophobicContact CE1-CB 4.49Å; F354-R438 HydrophobicContact CE1-CG 3.87Å; F354-R438 HydrophobicContact CE2-CB 3.86Å; F354-R438 HydrophobicContact CE2-CG 3.88Å; F354-R438 HydrophobicContact CZ-CB 3.66Å; F354-R438 HydrophobicContact CZ-CG 3.51Å; W423-R438 VanDerWaalsContact CZ3-C 3.43Å; I424-R438 PolarHBondContact N-O 2.9Å; I424-R438 PolarHBondContact O-N 3.4Å; R438-I440 HydrophobicContact CB-CD1 3.88Å; R438-I440 HydrophobicContact CB-CG1 4.45Å
439W95.4Very high90.8Very high133 Ų13387.4 Ų87.450%0.50445%0.452SS..EExtended strand (participates in β ladder)trans-83.9117.1168.6-166.5-92.8000108.5N387 W423N387-W439 HydrophobicContact CB-CZ3 4.41Å; W423-W439 HydrophobicContact CB-CE3 4.02Å; W423-W439 HydrophobicContact CB-CZ3 3.97Å; W423-W439 HydrophobicContact CD2-CE3 4.4Å; W423-W439 HydrophobicContact CE3-CB 3.81Å; W423-W439 HydrophobicContact CE3-CD2 4.41Å; W423-W439 AromaticContact CE3-CE3 3.67Å; W423-W439 HydrophobicContact CE3-CE3 3.67Å; W423-W439 VanDerWaalsContact CE3-N 3.3Å; W423-W439 HydrophobicContact CZ3-CB 3.82Å; W423-W439 HydrophobicContact CZ3-CE3 4.47Å
440I95.7Very high89.9Confident9 Ų985.8 Ų85.85%0.04645%0.451CS..EExtended strand (participates in β ladder)trans-107.6125.9-174.1-60.7-56000109.4F354 G356 V357 V358 L368 S421 K422 I424 R438F354-I440 HydrophobicContact CE2-CD1 4.31Å; G356-I440 WeakPolarHBondContact O-CG2 3.08Å; V357-I440 VanDerWaalsContact CA-CG2 3.44Å; V358-I440 HydrophobicContact CG2-CG2 4.05Å; L368-I440 HydrophobicContact CD1-CG2 4.18Å; S421-I440 CarbonylContact C-O 3.59Å; S421-I440 VanDerWaalsContact CA-O 3.22Å; S421-I440 WeakPolarHBondContact CA-O 3.45Å; S421-I440 VanDerWaalsContact CB-O 3.28Å; S421-I440 WeakPolarHBondContact CB-O 3.37Å; K422-I440 PolarHBondContact N-O 2.03Å; K422-I440 VanDerWaalsContact N-O 3.12Å; K422-I440 PolarHBondContact O-N 3.13Å; I424-I440 HydrophobicContact CB-CG1 4.17Å; I424-I440 HydrophobicContact CD1-CB 3.96Å; I424-I440 HydrophobicContact CD1-CG1 3.83Å; I424-I440 HydrophobicContact CD1-CG2 4.34Å; I424-I440 HydrophobicContact CG1-CB 4.32Å; I424-I440 HydrophobicContact CG1-CG1 4.01Å; R438-I440 HydrophobicContact CB-CD1 3.88Å; R438-I440 HydrophobicContact CB-CG1 4.45Å
441S95.8Very high88.9Confident70 Ų7088 Ų8849%0.4946%0.462SS..  trans-71150.8-179.354.80000112V357 V358V357-S441 WeakPolarHBondContact CG2-O 3.37Å; V358-S441 PolarHBondContact N-O 2.93Å
442Y95Very high87.6Confident64 Ų6487.5 Ų87.525%0.25146%0.461SS..EExtended strand (participates in β ladder)trans-99.6133.6172.5179.7-96.6000111.3V358 M360 S420 S421 A444V358-Y442 HydrophobicContact CB-CD2 4.06Å; V358-Y442 HydrophobicContact CG1-CD2 3.59Å; V358-Y442 HydrophobicContact CG1-CE2 4.08Å; V358-Y442 CarbonylContact O-C 3.54Å; V358-Y442 WeakPolarHBondContact O-CA 3.32Å; M360-Y442 WeakPolarHBondContact CE-OH 3.44Å; S420-Y442 VanDerWaalsContact C-CB 3.42Å; S421-Y442 PolarHBondContact OG-N 3.07Å; S421-Y442 VanDerWaalsContact OG-N 3.15Å; Y442-A444 HydrophobicContact CE1-CB 3.69Å
443S95.2Very high86.1Confident56 Ų5689.4 Ų89.439%0.39247%0.468SS..EExtended strand (participates in β ladder)trans-128.7132.6175-174.20000109.9V358 Q359 M360V358-S443 PolarHBondContact O-N 2.86Å; Q359-S443 CarbonylContact C-O 3.52Å; Q359-S443 WeakPolarHBondContact CA-O 3.36Å; M360-S443 PolarHBondContact N-O 2.91Å
444A93.6Very high84.8Confident55 Ų5588.4 Ų88.446%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-128.6125.6177.900000110.9M360 Y442M360-A444 HydrophobicContact CB-CB 4.07Å; M360-A444 WeakPolarHBondContact O-CA 3.46Å; M360-A444 HydrophobicContact SD-CB 4.38Å; Y442-A444 HydrophobicContact CE1-CB 3.69Å
445E92.8Very high83.8Confident81 Ų8186.5 Ų86.538%0.37946%0.457SS..PPolyproline II helixtrans-89.2138.6171.6-69.5174.4-167.800110.2Q359 M360 S362Q359-E445 PolarHBondContact NE2-OE1 3.17Å; M360-E445 PolarHBondContact O-N 2.84Å; S362-E445 WeakPolarHBondContact CB-OE2 3.15Å; S362-E445 PolarHBondContact N-OE2 2.89Å; S362-E445 VanDerWaalsContact N-OE2 3.13Å; S362-E445 PolarHBondContact OG-OE2 2.94Å
446P89.7Confident83.3Confident113 Ų11388.9 Ų88.973%0.73447%0.466SS*.PPolyproline II helixtrans-67.1153.2175.229-34.2000111.4S362S362-P446 WeakPolarHBondContact CB-O 3.01Å
447L84.8Confident82.8Confident117 Ų11787 Ų8761%0.61346%0.462SS*.PPolyproline II helixtrans-63.2136.6170.9-71.5172.9000110.1S364 L449S364-L447 WeakPolarHBondContact OG-CD2 3.01Å; L447-L449 PolarHBondContact O-N 3.31Å
448P76.7Confident82.3Confident72 Ų7291.7 Ų91.747%0.46848%0.481SS..PPolyproline II helixtrans-72.8132.8178.228.2-30.1000110S362S362-P448 WeakPolarHBondContact O-CD 3.49Å
449L71.3Confident81.9Confident163 Ų16387.1 Ų87.185%0.85347%0.467SS*.PPolyproline II helixtrans-84.3127170-66.8167.7000108.5L447L447-L449 PolarHBondContact O-N 3.31Å
450L68.7Low81.6Confident83 Ų8386.1 Ų86.144%0.43547%0.468SS..  trans-91.5108.7172.7-17963.1000108.6F293 M452F293-L450 HydrophobicContact CB-CD1 3.76Å; F293-L450 HydrophobicContact CD1-CD1 3.34Å; F293-L450 HydrophobicContact CD1-CD2 3.96Å; F293-L450 HydrophobicContact CD1-CG 4.3Å; F293-L450 HydrophobicContact CE1-CD1 4.05Å; F293-L450 HydrophobicContact CE1-CD2 4.31Å; F293-L450 HydrophobicContact CG-CD1 3.63Å; L450-M452 HydrophobicContact CD2-SD 4.3Å; L450-M452 HydrophobicContact CG-CG 4.49Å; L450-M452 HydrophobicContact CG-SD 4.47Å
451E63.9Low81.1Confident173 Ų17386.2 Ų86.281%0.80847%0.471SS*.  trans-90.9122169.6-66-174.6170.400109.2
452M64.6Low80.5Confident54 Ų5489.6 Ų89.627%0.26648%0.479SS..  trans-94.9124.2173.6-67.6-75.4-7800107.9D274 F275 L450 H454D274-M452 HydrophobicContact CB-CE 3.43Å; D274-M452 VanDerWaalsContact CB-CE 3.43Å; F275-M452 HydrophobicContact CD1-CE 4.24Å; F275-M452 HydrophobicContact CD2-CE 4.16Å; F275-M452 HydrophobicContact CE1-CE 4.21Å; F275-M452 HydrophobicContact CE1-SD 4.18Å; F275-M452 HydrophobicContact CE2-CE 4.12Å; F275-M452 HydrophobicContact CG-CE 4.2Å; F275-M452 HydrophobicContact CZ-CE 4.13Å; F275-M452 HydrophobicContact CZ-SD 4.37Å; L450-M452 HydrophobicContact CD2-SD 4.3Å; L450-M452 HydrophobicContact CG-CG 4.49Å; L450-M452 HydrophobicContact CG-SD 4.47Å; M452-H454 PolarHBondContact O-N 2.88Å
453P57.2Low79.9Confident103 Ų10388.3 Ų88.367%0.66948%0.479SS*.  trans-74.291-178.228.8-33000110.2G455P453-G455 PolarHBondContact O-N 2.84Å
454H64Low78.9Confident114 Ų11490.5 Ų90.553%0.52849%0.489SS..  trans-9089.4164.4-61.7-66.8000108.5D274 M452D274-H454 IonicContact OD1-CE1 3.4Å; D274-H454 PolarHBondContact OD1-CE1 2.87Å; D274-H454 VanDerWaalsContact OD1-CE1 3.29Å; D274-H454 IonicContact OD1-NE2 2.68Å; M452-H454 PolarHBondContact O-N 2.88Å
455G72.9Confident78Confident35 Ų3592.1 Ų92.136%0.36149%0.49SS..  trans-111148.6175.600000111.8T270 P453T270-G455 PolarHBondContact OG1-O 3.24Å; T270-G455 VanDerWaalsContact OG1-O 3.06Å; P453-G455 PolarHBondContact O-N 2.84Å
456W83.9Confident77.2Confident143 Ų14388.9 Ų88.954%0.54248%0.477SS..PPolyproline II helixtrans-81.7123.7160.5-74.486.4000108.5F256 H258 S268 E269 T270F256-W456 HydrophobicContact CB-CH2 4.05Å; H258-W456 HydrophobicContact CB-CH2 4.2Å; H258-W456 HydrophobicContact CB-CZ3 3.91Å; S268-W456 WeakPolarHBondContact O-CZ3 3.21Å; E269-W456 WeakPolarHBondContact O-CA 3Å; T270-W456 HydrophobicContact CG2-CD2 3.9Å; T270-W456 HydrophobicContact CG2-CE3 4.03Å; T270-W456 HydrophobicContact CG2-CH2 3.93Å; T270-W456 HydrophobicContact CG2-CZ2 3.75Å; T270-W456 HydrophobicContact CG2-CZ3 4.05Å
457V85.3Confident76.4Confident48 Ų4885.2 Ų85.229%0.29145%0.451SS..EExtended strand (participates in β ladder)trans-99.6133.1177.1-178.20000108.4S268 E269 A278S268-V457 CarbonylContact C-O 3.6Å; S268-V457 VanDerWaalsContact CA-O 3.25Å; S268-V457 WeakPolarHBondContact CA-O 3.22Å; E269-V457 HydrophobicContact CG-CB 4.28Å; E269-V457 PolarHBondContact N-O 2.83Å; E269-V457 PolarHBondContact O-N 3.38Å; A278-V457 HydrophobicContact CB-CG2 4.41Å
458Q86.1Confident75.6Confident128 Ų12884.5 Ų84.560%0.59844%0.444SS*.EExtended strand (participates in β ladder)trans-84.6135.3174.4-63175.427.700109.4R260R260-Q458 VanDerWaalsContact CZ-NE2 3.27Å
459A86.6Confident74.9Confident15 Ų1586.2 Ų86.212%0.12445%0.449CS..EExtended strand (participates in β ladder)trans-141.1158.2178.600000110.6Y267Y267-A459 HydrophobicContact CD2-CB 4.18Å; Y267-A459 HydrophobicContact CE1-CB 4.19Å; Y267-A459 HydrophobicContact CE2-CB 3.58Å; Y267-A459 PolarHBondContact N-O 3.26Å; Y267-A459 PolarHBondContact O-N 3.25Å
460Q89.2Confident74.3Confident113 Ų11380.3 Ų80.353%0.52842%0.421SS..EExtended strand (participates in β ladder)trans-123.8128.5174-169.9175.520.800108.2Q264 Q265 E266Q264-Q460 PolarHBondContact O-NE2 2.92Å; Q264-Q460 VanDerWaalsContact O-NE2 3.14Å; Q265-Q460 WeakPolarHBondContact O-CA 3.33Å; E266-Q460 HydrophobicContact CG-CG 4.37Å
461G85.1Confident73.9Confident10 Ų1081.3 Ų81.310%0.10343%0.433CS..  trans-85169176.200000112.1C71 Q265C71-G461 VanDerWaalsContact O-CA 3.28Å; C71-G461 WeakPolarHBondContact O-CA 3.48Å; Q265-G461 PolarHBondContact O-N 3.44Å
462H84.1Confident73.6Confident142 Ų14276.1 Ų76.166%0.65742%0.416SS*.  trans-127.3113.5176.4-174.567000111
463C81.9Confident73.2Confident37 Ų3775.4 Ų75.425%0.2541%0.413CS..  trans-142117.2170.4-172.50000110I72 C466I72-C463 HydrophobicContact CB-CB 4.41Å; I72-C463 HydrophobicContact CG2-CB 3.85Å; C463-C466 HydrophobicContact CB-CB 3.59Å; C463-C466 WeakPolarHBondContact CB-SG 3.46Å; C463-C466 WeakPolarHBondContact SG-CB 3.2Å; C463-C466 PolarHBondContact SG-N 2.94Å; C463-C466 CovalentContact SG-SG 2.02Å; C463-C466 PolarHBondContact SG-SG 3.29Å
464V74.7Confident73.3Confident102 Ų10277.3 Ų77.362%0.61841%0.411SS*.SBendtrans-75.4-35.3-175.4-178.40000111.8Q468V464-Q468 PolarHBondContact O-NE2 3.14Å
465D75.6Confident73.3Confident89 Ų8977.6 Ų77.648%0.47642%0.415SS..SBendtrans-105.1-5.2-172.8-59.7-38.4000113.8
466C75.3Confident72.7Confident13 Ų1378.4 Ų78.49%0.08842%0.416CS..THydrogen-bonded Turntrans-67.1146.8179.6-66.30000111.7C463 Q468C463-C466 HydrophobicContact CB-CB 3.59Å; C463-C466 WeakPolarHBondContact CB-SG 3.46Å; C463-C466 WeakPolarHBondContact SG-CB 3.2Å; C463-C466 PolarHBondContact SG-N 2.94Å; C463-C466 CovalentContact SG-SG 2.02Å; C463-C466 PolarHBondContact SG-SG 3.29Å; C466-Q468 PolarHBondContact O-N 3.04Å
467N71.7Confident71.6Confident36 Ų3679.7 Ų79.719%0.19342%0.422CS..THydrogen-bonded Turntrans64.915.6176.3-50.8-49.3000115.3C73 C75 C262 Q265C73-N467 PolarHBondContact O-ND2 2.81Å; C73-N467 PolarHBondContact O-OD1 3.01Å; C75-N467 WeakPolarHBondContact CB-OD1 3.49Å; C75-N467 PolarHBondContact N-OD1 3.38Å; C75-N467 PolarHBondContact SG-OD1 3.06Å; C262-N467 PolarHBondContact O-ND2 3.4Å; Q265-N467 PolarHBondContact NE2-ND2 2.84Å; Q265-N467 VanDerWaalsContact NE2-ND2 3.15Å
468Q69.3Low70.4Confident101 Ų10182.1 Ų82.147%0.47243%0.432SS..  trans-76.6133.3168-62.6-17222.600109.9V464 C466 S470V464-Q468 PolarHBondContact O-NE2 3.14Å; C466-Q468 PolarHBondContact O-N 3.04Å; Q468-S470 PolarHBondContact O-N 3.28Å; Q468-S470 VanDerWaalsContact O-N 3.15Å
469L61.9Low69.3Low109 Ų10979.6 Ų79.657%0.57142%0.423SS*.  trans-78.895.1174.3-80158.1000109.2
470S59Low68.1Low38 Ų3882.6 Ų82.627%0.26644%0.442SS..  trans-78133.7171.7-177.20000111.1Q468 S472 N473Q468-S470 PolarHBondContact O-N 3.28Å; Q468-S470 VanDerWaalsContact O-N 3.15Å; S470-S472 PolarHBondContact O-N 2.78Å; S470-S472 VanDerWaalsContact O-N 3.08Å; S470-S472 PolarHBondContact OG-OG 3.44Å; S470-N473 PolarHBondContact O-N 2.96Å
471P60.2Low67.1Low104 Ų10479.9 Ų79.968%0.67544%0.438SS*.Hα-helixtrans-56.4-24.5174.8-23.231.7000113.8N473 L475P471-N473 VanDerWaalsContact C-N 3.29Å; P471-N473 PolarHBondContact O-N 3.46Å; P471-L475 PolarHBondContact O-N 3.08Å
472S56.9Low66.2Low65 Ų6582.7 Ų82.746%0.45545%0.451SS..Hα-helixtrans-64.7-32.8174.956.60000112.5S470 L475 S476S470-S472 PolarHBondContact O-N 2.78Å; S470-S472 VanDerWaalsContact O-N 3.08Å; S470-S472 PolarHBondContact OG-OG 3.44Å; S472-L475 PolarHBondContact O-N 3.1Å; S472-S476 PolarHBondContact O-N 3.05Å; S472-S476 VanDerWaalsContact O-N 3.15Å
473N55.6Low65.2Low38 Ų3881.5 Ų81.520%0.20344%0.441CS..Hα-helixtrans-79.7-33-176.7-61.8-7.4000110.8G78 D79 S470 P471 L475 S476 Y477G78-N473 VanDerWaalsContact C-ND2 3.34Å; G78-N473 PolarHBondContact O-ND2 3.25Å; G78-N473 VanDerWaalsContact O-ND2 3.1Å; D79-N473 PolarHBondContact N-ND2 3.42Å; D79-N473 PolarHBondContact OD1-ND2 3.07Å; S470-N473 PolarHBondContact O-N 2.96Å; P471-N473 VanDerWaalsContact C-N 3.29Å; P471-N473 PolarHBondContact O-N 3.46Å; N473-L475 VanDerWaalsContact C-N 3.3Å; N473-L475 PolarHBondContact O-N 2.86Å; N473-S476 WeakPolarHBondContact O-CB 3.24Å; N473-S476 PolarHBondContact O-N 3.38Å; N473-S476 VanDerWaalsContact O-N 3.12Å; N473-S476 PolarHBondContact O-OG 3.15Å; N473-Y477 PolarHBondContact O-N 3.15Å; N473-Y477 VanDerWaalsContact O-N 3.11Å
474F60.5Low64.5Low144 Ų14484.6 Ų84.663%0.63246%0.458SS*.Hα-helixtrans-58.5-41.3168.2-171.7-100.7000112.1S476 Y477 L478F474-S476 VanDerWaalsContact C-N 3.32Å; F474-S476 PolarHBondContact O-N 2.71Å; F474-Y477 WeakPolarHBondContact O-CB 3.3Å; F474-Y477 PolarHBondContact O-N 3.35Å; F474-L478 HydrophobicContact CD1-CD1 3.91Å; F474-L478 HydrophobicContact CE1-CD1 3.56Å; F474-L478 HydrophobicContact CE1-CG 4.28Å; F474-L478 HydrophobicContact CZ-CD1 4.32Å; F474-L478 PolarHBondContact O-N 3.37Å
475L62.8Low63.7Low119 Ų11987.9 Ų87.962%0.62346%0.464SS*.Hα-helixtrans-65.9-33.2175-77.7163.8000112.7P471 S472 N473 Y477 L478 N479P471-L475 PolarHBondContact O-N 3.08Å; S472-L475 PolarHBondContact O-N 3.1Å; N473-L475 VanDerWaalsContact C-N 3.3Å; N473-L475 PolarHBondContact O-N 2.86Å; L475-Y477 VanDerWaalsContact C-N 3.31Å; L475-L478 PolarHBondContact O-N 2.85Å; L475-N479 PolarHBondContact O-N 3.05Å
476S60.5Low62.9Low53 Ų5386.4 Ų86.437%0.37147%0.47SS..Hα-helixtrans-67.2-33.5175.485.90000112.3S472 N473 F474 L478 N479 N482S472-S476 PolarHBondContact O-N 3.05Å; S472-S476 VanDerWaalsContact O-N 3.15Å; N473-S476 WeakPolarHBondContact O-CB 3.24Å; N473-S476 PolarHBondContact O-N 3.38Å; N473-S476 VanDerWaalsContact O-N 3.12Å; N473-S476 PolarHBondContact O-OG 3.15Å; F474-S476 VanDerWaalsContact C-N 3.32Å; F474-S476 PolarHBondContact O-N 2.71Å; S476-L478 VanDerWaalsContact C-N 3.32Å; S476-N479 WeakPolarHBondContact O-CB 3.41Å; S476-N479 PolarHBondContact O-N 3.12Å; S476-N482 PolarHBondContact O-ND2 3.06Å
477Y60.5Low62.1Low170 Ų17087.8 Ų87.867%0.66748%0.478SS*.Hα-helixtrans-70.5-27.9174.7-139.2-88.2000112.7N473 F474 L475 N479 W483N473-Y477 PolarHBondContact O-N 3.15Å; N473-Y477 VanDerWaalsContact O-N 3.11Å; F474-Y477 WeakPolarHBondContact O-CB 3.3Å; F474-Y477 PolarHBondContact O-N 3.35Å; L475-Y477 VanDerWaalsContact C-N 3.31Å; Y477-N479 VanDerWaalsContact C-N 3.34Å; Y477-W483 PolarHBondContact O-NE1 3.46Å
478L61.2Low61.5Low98 Ų9893.7 Ų93.751%0.51351%0.509SS..THydrogen-bonded Turntrans-83.4-6.1174.3-69.7174000113.7F474 L475 S476 P480F474-L478 HydrophobicContact CD1-CD1 3.91Å; F474-L478 HydrophobicContact CE1-CD1 3.56Å; F474-L478 HydrophobicContact CE1-CG 4.28Å; F474-L478 HydrophobicContact CZ-CD1 4.32Å; F474-L478 PolarHBondContact O-N 3.37Å; L475-L478 PolarHBondContact O-N 2.85Å; S476-L478 VanDerWaalsContact C-N 3.32Å; L478-P480 WeakPolarHBondContact O-CD 3.2Å
479N62.9Low61.8Low76 Ų7690.3 Ų90.341%0.40650%0.502SS..  trans-80.7110.7178.4-171.2-12.6000110.1L475 S476 Y477 A481 N482L475-N479 PolarHBondContact O-N 3.05Å; S476-N479 WeakPolarHBondContact O-CB 3.41Å; S476-N479 PolarHBondContact O-N 3.12Å; Y477-N479 VanDerWaalsContact C-N 3.34Å; N479-A481 PolarHBondContact O-N 3.28Å; N479-A481 WeakPolarHBondContact OD1-CB 3.21Å; N479-A481 PolarHBondContact OD1-N 3.28Å; N479-A481 VanDerWaalsContact OD1-N 3.17Å; N479-N482 WeakPolarHBondContact O-CB 3.45Å; N479-N482 PolarHBondContact O-N 3.42Å
480P62.2Low62.5Low78 Ų7895.8 Ų95.851%0.50652%0.515SS..Hα-helixtrans-62.1-19-176.824.3-33.3000113.2L478 N482 W483L478-P480 WeakPolarHBondContact O-CD 3.2Å; P480-N482 PolarHBondContact O-N 3.11Å; P480-W483 HydrophobicContact CB-CE3 4.36Å; P480-W483 PolarHBondContact O-N 3.38Å
481A67.4Low63.4Low56 Ų5698.2 Ų98.246%0.46353%0.532SS..Hα-helixtrans-63.8-26173.600000113.1N479N479-A481 PolarHBondContact O-N 3.28Å; N479-A481 WeakPolarHBondContact OD1-CB 3.21Å; N479-A481 PolarHBondContact OD1-N 3.28Å; N479-A481 VanDerWaalsContact OD1-N 3.17Å
482N65.8Low63.9Low68 Ų6897.7 Ų97.736%0.36452%0.52SS..Hα-helixtrans-81.7-24.2177.8-70.3-23.1000112.4S476 N479 P480 V484 K485S476-N482 PolarHBondContact O-ND2 3.06Å; N479-N482 WeakPolarHBondContact O-CB 3.45Å; N479-N482 PolarHBondContact O-N 3.42Å; P480-N482 PolarHBondContact O-N 3.11Å; N482-V484 PolarHBondContact O-N 3.24Å; N482-K485 PolarHBondContact O-N 2.8Å
483W64.4Low64.7Low118 Ų11897 Ų9745%0.44752%0.518SS..Hα-helixtrans-67.9-21178.3-57.2-6000112.8Y477 P480 V500Y477-W483 PolarHBondContact O-NE1 3.46Å; P480-W483 HydrophobicContact CB-CE3 4.36Å; P480-W483 PolarHBondContact O-N 3.38Å; W483-V500 HydrophobicContact CE3-CG2 4.04Å; W483-V500 HydrophobicContact CZ3-CG2 4.11Å
484V66.5Low65.9Low102 Ų10299.8 Ų99.862%0.61853%0.533SS*.THydrogen-bonded Turntrans-95.4-13.6-178.6-161.40000112N482 G486N482-V484 PolarHBondContact O-N 3.24Å; V484-G486 PolarHBondContact O-N 2.03Å; V484-G486 VanDerWaalsContact O-N 3.07Å
485K57.3Low66.8Low171 Ų17195.5 Ų95.574%0.74352%0.524SS*.THydrogen-bonded Turntrans-82.585.9178.1-76.5-177178.4175.70110.1N482N482-K485 PolarHBondContact O-N 2.8Å
486G58.6Low67.6Low57 Ų5792.2 Ų92.259%0.58851%0.509SS*.THydrogen-bonded Turntrans152-11.2177.300000114.2V484 N488V484-G486 PolarHBondContact O-N 2.03Å; V484-G486 VanDerWaalsContact O-N 3.07Å; G486-N488 PolarHBondContact O-N 3.28Å; G486-N488 VanDerWaalsContact O-N 3.15Å
487V59.5Low68.5Low42 Ų4291.6 Ų91.626%0.25551%0.511SS..  trans-75.8101.2178.5-178.60000109.6E492 A493 V496V487-E492 HydrophobicContact CG1-CB 3.98Å; V487-A493 VanDerWaalsContact CG1-CA 3.5Å; V487-A493 HydrophobicContact CG1-CB 3.6Å; V487-A493 VanDerWaalsContact CG1-N 3.32Å; V487-V496 HydrophobicContact CG2-CG2 4Å
488N59Low69.7Low161 Ų16188.9 Ų88.986%0.86151%0.507SS*.  trans-107.87.4-179.1-81.4-27.6000113.2G486 E492G486-N488 PolarHBondContact O-N 3.28Å; G486-N488 VanDerWaalsContact O-N 3.15Å; N488-E492 PolarHBondContact N-OE2 2.99Å
489G74.7Confident70.7Confident30 Ų3090.1 Ų90.131%0.30951%0.51SS..SBendtrans-146.8156.8177.200000114.4S491 E492 A493G489-S491 VanDerWaalsContact C-N 3.26Å; G489-S491 PolarHBondContact O-N 3.12Å; G489-E492 PolarHBondContact N-OE2 3.46Å; G489-E492 PolarHBondContact O-N 3.5Å; G489-A493 PolarHBondContact O-N 2.81Å
490W77.2Confident71.7Confident223 Ų22389.8 Ų89.885%0.84551%0.511SS*.Hα-helixtrans-60.9-35.1177.3-170-66.1000112.1A493 L494W490-A493 PolarHBondContact O-N 3.18Å; W490-L494 WeakPolarHBondContact O-CB 3.29Å; W490-L494 PolarHBondContact O-N 3.39Å
491S77Confident72.8Confident89 Ų8988.8 Ų88.862%0.62251%0.509SS*.Hα-helixtrans-64.3-43.3176.848.70000112.4G489 L494 A495G489-S491 VanDerWaalsContact C-N 3.26Å; G489-S491 PolarHBondContact O-N 3.12Å; S491-L494 PolarHBondContact O-N 3.45Å; S491-A495 PolarHBondContact O-N 3.03Å
492E70.6Confident73.8Confident94 Ų9492.7 Ų92.744%0.43952%0.516SS..Hα-helixtrans-67.7-39177.2-69.8170.3175.100111.1V487 N488 G489 L494 A495 V496V487-E492 HydrophobicContact CG1-CB 3.98Å; N488-E492 PolarHBondContact N-OE2 2.99Å; G489-E492 PolarHBondContact N-OE2 3.46Å; G489-E492 PolarHBondContact O-N 3.5Å; E492-L494 VanDerWaalsContact C-N 3.3Å; E492-L494 PolarHBondContact O-N 3.28Å; E492-A495 PolarHBondContact O-N 2.85Å; E492-V496 WeakPolarHBondContact O-CG2 3.31Å; E492-V496 PolarHBondContact O-N 3.26Å
493A74.2Confident74.8Confident50 Ų5096.3 Ų96.341%0.41353%0.526SS..Hα-helixtrans-61.9-39.7175.700000112V487 G489 W490 G497V487-A493 VanDerWaalsContact CG1-CA 3.5Å; V487-A493 HydrophobicContact CG1-CB 3.6Å; V487-A493 VanDerWaalsContact CG1-N 3.32Å; G489-A493 PolarHBondContact O-N 2.81Å; W490-A493 PolarHBondContact O-N 3.18Å; A493-G497 PolarHBondContact O-N 2.94Å
494L80.8Confident76Confident97 Ų9792.3 Ų92.351%0.50852%0.521SS..Hα-helixtrans-71.2-37.1179.1-149.4150.1000111.4W490 S491 E492 G497 L498W490-L494 WeakPolarHBondContact O-CB 3.29Å; W490-L494 PolarHBondContact O-N 3.39Å; S491-L494 PolarHBondContact O-N 3.45Å; E492-L494 VanDerWaalsContact C-N 3.3Å; E492-L494 PolarHBondContact O-N 3.28Å; L494-G497 PolarHBondContact O-N 3.31Å; L494-L498 HydrophobicContact CD2-CD1 3.77Å; L494-L498 HydrophobicContact CD2-CG 4.3Å; L494-L498 WeakPolarHBondContact O-CB 3.46Å; L494-L498 PolarHBondContact O-N 3.26Å
495A79.9Confident77Confident53 Ų5391.2 Ų91.244%0.43851%0.514SS..Hα-helixtrans-63.6-49.7173.400000111.9S491 E492 G497 L498 E499S491-A495 PolarHBondContact O-N 3.03Å; E492-A495 PolarHBondContact O-N 2.85Å; A495-G497 VanDerWaalsContact C-N 3.3Å; A495-G497 PolarHBondContact O-N 2.92Å; A495-L498 PolarHBondContact O-N 2.98Å; A495-E499 PolarHBondContact O-N 2.98Å
496V78.5Confident78.6Confident50 Ų5085.9 Ų85.930%0.30350%0.496SS..Hα-helixtrans-60.5-41.6175.8174.30000110.7V487 E492 L498 E499 V500V487-V496 HydrophobicContact CG2-CG2 4Å; E492-V496 WeakPolarHBondContact O-CG2 3.31Å; E492-V496 PolarHBondContact O-N 3.26Å; V496-L498 PolarHBondContact O-N 2.98Å; V496-E499 PolarHBondContact O-N 3.36Å; V496-V500 HydrophobicContact CG1-CG2 4.37Å; V496-V500 VanDerWaalsContact O-CG2 3.29Å; V496-V500 WeakPolarHBondContact O-CG2 3.37Å; V496-V500 PolarHBondContact O-N 2.96Å
497G81.1Confident80Confident41 Ų4185.5 Ų85.542%0.42349%0.487SS..Hα-helixtrans-61-41175.700000113.4A493 L494 A495 A501A493-G497 PolarHBondContact O-N 2.94Å; L494-G497 PolarHBondContact O-N 3.31Å; A495-G497 VanDerWaalsContact C-N 3.3Å; A495-G497 PolarHBondContact O-N 2.92Å; G497-A501 VanDerWaalsContact O-CB 3.31Å; G497-A501 WeakPolarHBondContact O-CB 3.47Å; G497-A501 PolarHBondContact O-N 3.22Å
498L85.1Confident81.4Confident112 Ų11289.2 Ų89.259%0.58651%0.505SS*.Hα-helixtrans-67.5-42.1176.1-85167.7000112.3L494 A495 V496 A501 F502L494-L498 HydrophobicContact CD2-CD1 3.77Å; L494-L498 HydrophobicContact CD2-CG 4.3Å; L494-L498 WeakPolarHBondContact O-CB 3.46Å; L494-L498 PolarHBondContact O-N 3.26Å; A495-L498 PolarHBondContact O-N 2.98Å; V496-L498 PolarHBondContact O-N 2.98Å; L498-A501 PolarHBondContact O-N 3.13Å; L498-F502 WeakPolarHBondContact O-CB 3.29Å; L498-F502 PolarHBondContact O-N 3.38Å
499E82.9Confident82.8Confident124 Ų12485.9 Ų85.958%0.57949%0.486SS*.Hα-helixtrans-63.5-46.7176.6-74-155.8172.700111.5A495 V496 A501 F502 Y503A495-E499 PolarHBondContact O-N 2.98Å; V496-E499 PolarHBondContact O-N 3.36Å; E499-A501 VanDerWaalsContact C-N 3.3Å; E499-A501 PolarHBondContact O-N 2.88Å; E499-F502 WeakPolarHBondContact O-CB 3.06Å; E499-F502 PolarHBondContact O-N 3.37Å; E499-F502 VanDerWaalsContact O-N 3.13Å; E499-Y503 HydrophobicContact CB-CE2 4.34Å; E499-Y503 WeakPolarHBondContact O-CD2 3.35Å; E499-Y503 PolarHBondContact O-N 2.98Å
500V83Confident83.3Confident69 Ų6988 Ų8842%0.41849%0.493SS..Hα-helixtrans-61.4-40.4177.1174.80000111.1W483 V496 Y503 G504W483-V500 HydrophobicContact CE3-CG2 4.04Å; W483-V500 HydrophobicContact CZ3-CG2 4.11Å; V496-V500 HydrophobicContact CG1-CG2 4.37Å; V496-V500 VanDerWaalsContact O-CG2 3.29Å; V496-V500 WeakPolarHBondContact O-CG2 3.37Å; V496-V500 PolarHBondContact O-N 2.96Å; V500-Y503 PolarHBondContact O-N 2.91Å; V500-G504 PolarHBondContact O-N 3.48Å
501A85Confident83.8Confident57 Ų5782.4 Ų82.447%0.47148%0.478SS..Hα-helixtrans-63.6-41.3174.900000112G497 L498 E499 G504 V505G497-A501 VanDerWaalsContact O-CB 3.31Å; G497-A501 WeakPolarHBondContact O-CB 3.47Å; G497-A501 PolarHBondContact O-N 3.22Å; L498-A501 PolarHBondContact O-N 3.13Å; E499-A501 VanDerWaalsContact C-N 3.3Å; E499-A501 PolarHBondContact O-N 2.88Å; A501-G504 PolarHBondContact O-N 3.26Å; A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 2.91Å
502F89.1Confident84.1Confident138 Ų13880.6 Ų80.661%0.60547%0.469SS*.Hα-helixtrans-62.6-47.6176.9-175.5-99.2000111.6L498 E499 G504 V505 V506L498-F502 WeakPolarHBondContact O-CB 3.29Å; L498-F502 PolarHBondContact O-N 3.38Å; E499-F502 WeakPolarHBondContact O-CB 3.06Å; E499-F502 PolarHBondContact O-N 3.37Å; E499-F502 VanDerWaalsContact O-N 3.13Å; F502-G504 VanDerWaalsContact C-N 3.29Å; F502-G504 PolarHBondContact O-N 2.88Å; F502-V505 PolarHBondContact O-N 2.93Å; F502-V506 HydrophobicContact CD1-CG2 4.21Å; F502-V506 HydrophobicContact CE1-CG2 3.87Å; F502-V506 HydrophobicContact CZ-CG2 4.09Å; F502-V506 WeakPolarHBondContact O-CG2 3.42Å; F502-V506 PolarHBondContact O-N 3.19Å
503Y86.8Confident84.8Confident144 Ų14480.5 Ų80.557%0.56547%0.471SS*.Hα-helixtrans-61.7-37.2174.3-71.3-62.7000112.3E499 V500 V506 A507E499-Y503 HydrophobicContact CB-CE2 4.34Å; E499-Y503 WeakPolarHBondContact O-CD2 3.35Å; E499-Y503 PolarHBondContact O-N 2.98Å; V500-Y503 PolarHBondContact O-N 2.91Å; Y503-V506 PolarHBondContact O-N 3.45Å; Y503-A507 WeakPolarHBondContact O-CB 3.38Å; Y503-A507 PolarHBondContact O-N 3.39Å
504G88.5Confident85.1Confident34 Ų3480.8 Ų80.835%0.35147%0.469SS..Hα-helixtrans-61.2-43.4173.100000113V500 A501 F502 A507 L508V500-G504 PolarHBondContact O-N 3.48Å; A501-G504 PolarHBondContact O-N 3.26Å; F502-G504 VanDerWaalsContact C-N 3.29Å; F502-G504 PolarHBondContact O-N 2.88Å; G504-A507 PolarHBondContact O-N 3.43Å; G504-L508 WeakPolarHBondContact O-CG 3.32Å; G504-L508 PolarHBondContact O-N 2.93Å
505V88.9Confident85Confident79 Ų7985.4 Ų85.448%0.47948%0.48SS..Hα-helixtrans-66.2-44.6176.4171.80000111.2A501 F502 A507 L508 I509A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 2.91Å; F502-V505 PolarHBondContact O-N 2.93Å; V505-A507 VanDerWaalsContact C-N 3.34Å; V505-A507 PolarHBondContact O-N 2.85Å; V505-L508 PolarHBondContact O-N 2.85Å; V505-I509 HydrophobicContact CG1-CD1 3.89Å; V505-I509 HydrophobicContact CG1-CG1 4.47Å; V505-I509 WeakPolarHBondContact O-CG1 3.4Å; V505-I509 PolarHBondContact O-N 3.36Å
506V90.1Very high84.7Confident60 Ų6092.8 Ų92.836%0.36450%0.497SS..Hα-helixtrans-60.7-44.6176.2173.40000110.8F502 Y503 L508 I509 V510F502-V506 HydrophobicContact CD1-CG2 4.21Å; F502-V506 HydrophobicContact CE1-CG2 3.87Å; F502-V506 HydrophobicContact CZ-CG2 4.09Å; F502-V506 WeakPolarHBondContact O-CG2 3.42Å; F502-V506 PolarHBondContact O-N 3.19Å; Y503-V506 PolarHBondContact O-N 3.45Å; V506-L508 VanDerWaalsContact C-N 3.34Å; V506-L508 PolarHBondContact O-N 3.23Å; V506-I509 PolarHBondContact O-N 3.44Å; V506-V510 HydrophobicContact CG1-CG2 4.4Å; V506-V510 WeakPolarHBondContact O-CG2 3.28Å; V506-V510 PolarHBondContact O-N 2.88Å
507A88.1Confident84.3Confident48 Ų4896 Ų9640%0.39751%0.511SS..Hα-helixtrans-60.6-42.217600000111.9Y503 G504 V505 V510 I511Y503-A507 WeakPolarHBondContact O-CB 3.38Å; Y503-A507 PolarHBondContact O-N 3.39Å; G504-A507 PolarHBondContact O-N 3.43Å; V505-A507 VanDerWaalsContact C-N 3.34Å; V505-A507 PolarHBondContact O-N 2.85Å; A507-V510 PolarHBondContact O-N 3.5Å; A507-I511 WeakPolarHBondContact O-CB 3.34Å; A507-I511 WeakPolarHBondContact O-CD1 3.3Å; A507-I511 WeakPolarHBondContact O-CG1 3.32Å; A507-I511 PolarHBondContact O-N 3.47Å
508L88.4Confident83.5Confident120 Ų12098.8 Ų98.863%0.62852%0.516SS*.Hα-helixtrans-63.7-39.8175-74.4172.4000112.6G504 V505 V506 I511 A512G504-L508 WeakPolarHBondContact O-CG 3.32Å; G504-L508 PolarHBondContact O-N 2.93Å; V505-L508 PolarHBondContact O-N 2.85Å; V506-L508 VanDerWaalsContact C-N 3.34Å; V506-L508 PolarHBondContact O-N 3.23Å; L508-I511 PolarHBondContact O-N 3.2Å; L508-A512 VanDerWaalsContact O-CB 3.28Å; L508-A512 WeakPolarHBondContact O-CB 3.44Å; L508-A512 PolarHBondContact O-N 3.43Å
509I87.7Confident82.5Confident92 Ų9296.6 Ų96.647%0.47251%0.51SS..Hα-helixtrans-63.8-46.4175.2-68.4166.5000110.3V505 V506 I511 A512 L513V505-I509 HydrophobicContact CG1-CD1 3.89Å; V505-I509 HydrophobicContact CG1-CG1 4.47Å; V505-I509 WeakPolarHBondContact O-CG1 3.4Å; V505-I509 PolarHBondContact O-N 3.36Å; V506-I509 PolarHBondContact O-N 3.44Å; I509-I511 PolarHBondContact O-N 2.92Å; I509-A512 PolarHBondContact O-N 3.29Å; I509-L513 HydrophobicContact CG2-CD1 3.89Å; I509-L513 HydrophobicContact CG2-CG 4.33Å; I509-L513 WeakPolarHBondContact O-CB 3.4Å; I509-L513 VanDerWaalsContact O-CG 3.32Å; I509-L513 WeakPolarHBondContact O-CG 3.18Å; I509-L513 PolarHBondContact O-N 3.4Å
510V87.3Confident81.5Confident74 Ų7494.2 Ų94.245%0.44851%0.505SS..Hα-helixtrans-61.4-45.3176.9172.30000110.5V506 A507 A512 L513 C514V506-V510 HydrophobicContact CG1-CG2 4.4Å; V506-V510 WeakPolarHBondContact O-CG2 3.28Å; V506-V510 PolarHBondContact O-N 2.88Å; A507-V510 PolarHBondContact O-N 3.5Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.4Å; V510-L513 PolarHBondContact O-N 3.48Å; V510-C514 VanDerWaalsContact O-CB 3.3Å; V510-C514 WeakPolarHBondContact O-CB 3.43Å; V510-C514 PolarHBondContact O-N 2.78Å; V510-C514 PolarHBondContact O-SG 2.93Å
511I86Confident80.5Confident105 Ų10595.4 Ų95.454%0.53851%0.512SS..Hα-helixtrans-62.2-41.1176.4-68.9164.3000110.9A507 L508 I509 C514 R515A507-I511 WeakPolarHBondContact O-CB 3.34Å; A507-I511 WeakPolarHBondContact O-CD1 3.3Å; A507-I511 WeakPolarHBondContact O-CG1 3.32Å; A507-I511 PolarHBondContact O-N 3.47Å; L508-I511 PolarHBondContact O-N 3.2Å; I509-I511 PolarHBondContact O-N 2.92Å; I511-C514 PolarHBondContact O-N 3.3Å; I511-R515 VanDerWaalsContact O-CB 3.24Å; I511-R515 WeakPolarHBondContact O-CB 3.32Å; I511-R515 PolarHBondContact O-N 3.43Å
512A84.4Confident79.3Confident52 Ų5296.6 Ų96.643%0.4351%0.513SS..Hα-helixtrans-66.8-40.5177.300000112.3L508 I509 V510 R515 R516L508-A512 VanDerWaalsContact O-CB 3.28Å; L508-A512 WeakPolarHBondContact O-CB 3.44Å; L508-A512 PolarHBondContact O-N 3.43Å; I509-A512 PolarHBondContact O-N 3.29Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.4Å; A512-R515 PolarHBondContact O-N 3.24Å; A512-R516 WeakPolarHBondContact O-CB 3.24Å; A512-R516 PolarHBondContact O-N 2.82Å
513L83.9Confident78Confident92 Ų9294.6 Ų94.648%0.48251%0.512SS..Hα-helixtrans-64.9-47.2173.8-74.6172.1000110.9I509 V510 R515 R516 L517I509-L513 HydrophobicContact CG2-CD1 3.89Å; I509-L513 HydrophobicContact CG2-CG 4.33Å; I509-L513 WeakPolarHBondContact O-CB 3.4Å; I509-L513 VanDerWaalsContact O-CG 3.32Å; I509-L513 WeakPolarHBondContact O-CG 3.18Å; I509-L513 PolarHBondContact O-N 3.4Å; V510-L513 PolarHBondContact O-N 3.48Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 3.29Å; L513-R516 PolarHBondContact O-N 2.79Å; L513-L517 HydrophobicContact CB-CD1 4.43Å; L513-L517 HydrophobicContact CD2-CD1 4.45Å; L513-L517 VanDerWaalsContact O-CB 3.24Å; L513-L517 WeakPolarHBondContact O-CB 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.24Å; L513-L517 PolarHBondContact O-N 3.45Å
514C80.8Confident76.7Confident55 Ų5598 Ų9837%0.37252%0.524SS..Hα-helixtrans-58.2-43.3173.6-74.70000111.1V510 I511 R516 L518V510-C514 VanDerWaalsContact O-CB 3.3Å; V510-C514 WeakPolarHBondContact O-CB 3.43Å; V510-C514 PolarHBondContact O-N 2.78Å; V510-C514 PolarHBondContact O-SG 2.93Å; I511-C514 PolarHBondContact O-N 3.3Å; C514-R516 VanDerWaalsContact C-N 3.35Å; C514-R516 PolarHBondContact O-N 2.82Å; C514-L518 HydrophobicContact CB-CD1 3.91Å; C514-L518 WeakPolarHBondContact O-CA 3.19Å; C514-L518 WeakPolarHBondContact O-CB 3.4Å; C514-L518 PolarHBondContact O-N 3.2Å
515R79.8Confident75.3Confident195 Ų195100 Ų10074%0.73653%0.532SS*.Hα-helixtrans-69.1-30.9178.9-164.3174.4172.1146.2-0.9112.8I511 A512 L513 C519I511-R515 VanDerWaalsContact O-CB 3.24Å; I511-R515 WeakPolarHBondContact O-CB 3.32Å; I511-R515 PolarHBondContact O-N 3.43Å; A512-R515 PolarHBondContact O-N 3.24Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 3.29Å; R515-C519 VanDerWaalsContact O-CB 3.24Å; R515-C519 WeakPolarHBondContact O-CB 3.41Å
516R73.7Confident74Confident208 Ų208101.1 Ų101.179%0.78554%0.539SS*.Hα-helixtrans-84.7-28.2176.2-78.7-172.3175-1800.1114.1A512 L513 C514 P520A512-R516 WeakPolarHBondContact O-CB 3.24Å; A512-R516 PolarHBondContact O-N 2.82Å; L513-R516 PolarHBondContact O-N 2.79Å; C514-R516 VanDerWaalsContact C-N 3.35Å; C514-R516 PolarHBondContact O-N 2.82Å; R516-P520 VanDerWaalsContact O-CD 3.3Å; R516-P520 WeakPolarHBondContact O-CD 3.46Å; R516-P520 WeakPolarHBondContact O-CG 3.25Å
517L68.8Low72.4Confident116 Ų116102.7 Ų102.761%0.60755%0.552SS**Hα-helixtrans-99.5-41-176.7-68.6166.1000112.6L513 V521L513-L517 HydrophobicContact CB-CD1 4.43Å; L513-L517 HydrophobicContact CD2-CD1 4.45Å; L513-L517 VanDerWaalsContact O-CB 3.24Å; L513-L517 WeakPolarHBondContact O-CB 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.24Å; L513-L517 PolarHBondContact O-N 3.45Å; L517-V521 WeakPolarHBondContact O-CG2 3.45Å
518L65.1Low70.7Confident100 Ų100105.2 Ų105.252%0.52457%0.567SS.*Hα-helixtrans-87.5-37.1-176.3-64.9162.5000112.6C514 V521 V522C514-L518 HydrophobicContact CB-CD1 3.91Å; C514-L518 WeakPolarHBondContact O-CA 3.19Å; C514-L518 WeakPolarHBondContact O-CB 3.4Å; C514-L518 PolarHBondContact O-N 3.2Å; L518-V521 PolarHBondContact O-N 2.79Å; L518-V522 WeakPolarHBondContact O-CB 3.41Å; L518-V522 VanDerWaalsContact O-CG2 3.26Å; L518-V522 WeakPolarHBondContact O-CG2 3.22Å; L518-V522 PolarHBondContact O-N 3.15Å
519C63.9Low69Low67 Ų67104.5 Ų104.545%0.45357%0.572SS.*Hα-helixtrans-63.5-40.3-179.6-64.70000114.3R515 V523R515-C519 VanDerWaalsContact O-CB 3.24Å; R515-C519 WeakPolarHBondContact O-CB 3.41Å; C519-V523 WeakPolarHBondContact O-CB 3.49Å; C519-V523 WeakPolarHBondContact O-CG2 3.3Å; C519-V523 PolarHBondContact O-N 2.72Å; C519-V523 VanDerWaalsContact O-N 3.15Å
520P61.5Low67.2Low73 Ų73105.2 Ų105.247%0.47459%0.585SS.*Hα-helixtrans-68.8-36.6175.1-5.617.1000112R516 V523 W524R516-P520 VanDerWaalsContact O-CD 3.3Å; R516-P520 WeakPolarHBondContact O-CD 3.46Å; R516-P520 WeakPolarHBondContact O-CG 3.25Å; P520-V523 PolarHBondContact O-N 3.13Å; P520-W524 WeakPolarHBondContact O-CB 3.24Å; P520-W524 PolarHBondContact O-N 2.91Å
521V62.7Low65.2Low95 Ų95105.6 Ų105.658%0.57660%0.604SS**Hα-helixtrans-71.2-36-177.9176.60000111.8L517 L518 S525L517-V521 WeakPolarHBondContact O-CG2 3.45Å; L518-V521 PolarHBondContact O-N 2.79Å; V521-S525 WeakPolarHBondContact O-CB 3.41Å; V521-S525 PolarHBondContact O-N 3.42Å; V521-S525 PolarHBondContact O-OG 3.03Å
522V60.6Low63Low82 Ų82105.8 Ų105.850%0.49762%0.615SS.*Hα-helixtrans-72.6-36.4174.7176.40000111.3L518 S525 V526L518-V522 WeakPolarHBondContact O-CB 3.41Å; L518-V522 VanDerWaalsContact O-CG2 3.26Å; L518-V522 WeakPolarHBondContact O-CG2 3.22Å; L518-V522 PolarHBondContact O-N 3.15Å; V522-S525 WeakPolarHBondContact CA-OG 3.15Å; V522-S525 PolarHBondContact O-OG 3.24Å; V522-V526 HydrophobicContact CG1-CG2 4.42Å; V522-V526 WeakPolarHBondContact O-CB 3.11Å; V522-V526 VanDerWaalsContact O-CG2 3.25Å; V522-V526 WeakPolarHBondContact O-CG2 3.41Å; V522-V526 PolarHBondContact O-N 3.25Å; V522-V526 VanDerWaalsContact O-N 3.13Å
523V61.7Low61.1Low95 Ų95112.4 Ų112.458%0.57663%0.634SS**Hα-helixtrans-69.3-35.5174.6173.90000111.7C519 P520 C527C519-V523 WeakPolarHBondContact O-CB 3.49Å; C519-V523 WeakPolarHBondContact O-CG2 3.3Å; C519-V523 PolarHBondContact O-N 2.72Å; C519-V523 VanDerWaalsContact O-N 3.15Å; P520-V523 PolarHBondContact O-N 3.13Å; V523-C527 WeakPolarHBondContact O-CB 3.42Å; V523-C527 PolarHBondContact O-N 3.17Å
524W58.6Low59.3Low216 Ų216116.8 Ų116.882%0.81865%0.649SS**Hα-helixtrans-72.6-37.7177.2-130.163.3000113.1P520 S528P520-W524 WeakPolarHBondContact O-CB 3.24Å; P520-W524 PolarHBondContact O-N 2.91Å; W524-S528 WeakPolarHBondContact O-CB 3.41Å; W524-S528 PolarHBondContact O-N 2.94Å
525S60.4Low57.7Low75 Ų75122.6 Ų122.652%0.52467%0.67SS.*Hα-helixtrans-74.4-28.4178.548.60000113.5V521 V522V521-S525 WeakPolarHBondContact O-CB 3.41Å; V521-S525 PolarHBondContact O-N 3.42Å; V521-S525 PolarHBondContact O-OG 3.03Å; V522-S525 WeakPolarHBondContact CA-OG 3.15Å; V522-S525 PolarHBondContact O-OG 3.24Å
526V61.3Low56.1Low103 Ų103117.5 Ų117.562%0.62467%0.669SS**Hα-helixtrans-83.6-31176.4178.30000112.4V522V522-V526 HydrophobicContact CG1-CG2 4.42Å; V522-V526 WeakPolarHBondContact O-CB 3.11Å; V522-V526 VanDerWaalsContact O-CG2 3.25Å; V522-V526 WeakPolarHBondContact O-CG2 3.41Å; V522-V526 PolarHBondContact O-N 3.25Å; V522-V526 VanDerWaalsContact O-N 3.13Å
527C56.1Low54.7Low94 Ų94118.2 Ų118.264%0.63567%0.672SS**Hα-helixtrans-84.6-17.7177.9-74.50000115.2V523 S529V523-C527 WeakPolarHBondContact O-CB 3.42Å; V523-C527 PolarHBondContact O-N 3.17Å; C527-S529 VanDerWaalsContact C-N 3.28Å; C527-S529 PolarHBondContact O-N 3.42Å
528S52.9Low53.8Low101 Ų101119.8 Ų119.871%0.70668%0.677SS**THydrogen-bonded Turntrans-79-5.9177.9-176.30000114.1W524W524-S528 WeakPolarHBondContact O-CB 3.41Å; W524-S528 PolarHBondContact O-N 2.94Å
529S52.3Low52.9Low105 Ų105119.8 Ų119.873%0.73469%0.685SS**THydrogen-bonded Turntrans-96.7-2.6-171.5-1790000114.8C527C527-S529 VanDerWaalsContact C-N 3.28Å; C527-S529 PolarHBondContact O-N 3.42Å
530S49.4Very low52Low106 Ų106127.2 Ų127.274%0.74173%0.729SS**SBendtrans-122.780.4-178.771.10000112.1
531G44.7Very low51.5Low82 Ų82130 Ų13085%0.84574%0.741SS**  trans-179.337.9179.400000116.5
532S41.4Very low50.9Low110 Ų110131.8 Ų131.877%0.76975%0.75SS**  trans-116.1106.2170-178.30000109.3
533K44.3Very low50.4Low190 Ų190134.6 Ų134.683%0.82676%0.764SS**  trans166.3129.3138.7-92.3166.7-174.2-179.20112.8
534K46Very low49.7Very low185 Ų185136.9 Ų136.980%0.80478%0.775SS**  trans82.4132.3161.3-58.6175.7-179.4-175.80114.9
535H47Very low49.2Very low177 Ų177131.9 Ų131.982%0.81977%0.772SS**  cis-152.4147.930.5-117.3-77.7000110.6
536A45.9Very low48.4Very low87 Ų87135.7 Ų135.772%0.71979%0.789SS**  trans-81.9156.9167.200000111.4
537R44.9Very low47.5Very low223 Ų223138.1 Ų138.184%0.84280%0.801SS**  trans103.9128.9147-109.9-174.2178.4172-2.2120.2
538E48.7Very low46.9Very low150 Ų150141.5 Ų141.570%0.70181%0.813SS**  trans100.689.8146.2-80.6162.2-164.300120.4
539S47.3Very low46.3Very low100 Ų100144.8 Ų144.870%0.69982%0.822SS**  51102.2121.861.80000119.8
540T44.2Very low45.8Very low223 Ų223148.5 Ų148.5100%1.36883%0.83SS**  -162.30108.6-1.70000109.5

Retrieved 540 of 540 residues in 907.3 ms (Link to these results)

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