A0A087XTI5_POEFO Loading...

Adenosine kinase

ATP dependent phosphorylation of adenosine and other related nucleoside analogs to monophosphate derivatives.

AlphaFold DB , UniProt , Accession A0A087XTI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M98.1Very high93.7Very high19 Ų1915.7 Ų15.79%0.0949%0.092CC..  0153.2067.5-170.9-49.200109.7T55 F76 Y133 L139 Y155 I156 F160 V171M1-T55 VanDerWaalsContact O-CG2 3.3Å; M1-T55 WeakPolarHBondContact O-CG2 3.47Å; M1-T55 PolarHBondContact O-OG1 2.88Å; M1-F76 CarbonylContact C-O 3.49Å; M1-F76 WeakPolarHBondContact CA-O 3.25Å; M1-F76 HydrophobicContact CB-CB 3.83Å; M1-F76 VanDerWaalsContact CB-O 3.31Å; M1-F76 WeakPolarHBondContact CB-O 3.39Å; M1-F76 HydrophobicContact CE-CB 4.28Å; M1-Y133 HydrophobicContact CE-CD1 4.49Å; M1-Y133 HydrophobicContact CE-CE1 3.6Å; M1-Y133 HydrophobicContact CE-CE2 4.26Å; M1-Y133 VanDerWaalsContact CE-CZ 3.45Å; M1-Y133 VanDerWaalsContact CE-OH 3.24Å; M1-Y133 WeakPolarHBondContact CE-OH 3.18Å; M1-L139 HydrophobicContact CE-CD1 4.27Å; M1-L139 HydrophobicContact CE-CD2 4.46Å; M1-Y155 PolarHBondContact N-O 3.32Å; M1-I156 HydrophobicContact CG-CD1 3.6Å; M1-I156 HydrophobicContact CG-CG1 3.88Å; M1-I156 HydrophobicContact CG-CG2 4.38Å; M1-I156 HydrophobicContact SD-CD1 3.88Å; M1-F160 HydrophobicContact CE-CE1 3.57Å; M1-F160 HydrophobicContact CE-CZ 3.89Å; M1-F160 HydrophobicContact CG-CD1 4.08Å; M1-F160 HydrophobicContact CG-CE1 3.88Å; M1-F160 HydrophobicContact SD-CE1 3.93Å; M1-V171 HydrophobicContact SD-CG2 4.14Å
2G98.3Very high93.6Very high1 Ų115.5 Ų15.51%0.019%0.09CC..  trans179.1-156.1-17800000113.2P4 F76 G77G2-P4 WeakPolarHBondContact O-CD 3.31Å; G2-F76 PolarHBondContact N-O 3.26Å; G2-G77 WeakPolarHBondContact O-CA 3.22Å
3N97.6Very high93.6Very high12 Ų1219.3 Ų19.36%0.06411%0.11CC..  trans-91.2104.1179.6-63.5-21.1000109.9L5 G53 L127 A130 F159 F160 V163N3-L5 PolarHBondContact O-N 2.85Å; N3-G53 WeakPolarHBondContact O-CA 3.29Å; N3-L127 HydrophobicContact CB-CD2 4.4Å; N3-A130 HydrophobicContact CB-CB 3.85Å; N3-F159 PolarHBondContact ND2-O 2.89Å; N3-F160 WeakPolarHBondContact OD1-CD2 3.5Å; N3-V163 VanDerWaalsContact OD1-CG2 3.32Å; N3-V163 WeakPolarHBondContact OD1-CG2 3.39Å
4P97.3Very high93.6Very high0 Ų027.7 Ų27.70%015%0.145CC..  trans-75.3123.6173.432.2-33.5000109.4G2 Q56 F75 C78 I79 L88 Y101G2-P4 WeakPolarHBondContact O-CD 3.31Å; P4-Q56 VanDerWaalsContact CB-OE1 3.23Å; P4-F75 HydrophobicContact CB-CE1 3.91Å; P4-F75 HydrophobicContact CB-CZ 4.28Å; P4-F75 HydrophobicContact CG-CE1 4.33Å; P4-C78 WeakPolarHBondContact CG-O 3.49Å; P4-I79 HydrophobicContact CB-CG2 4.1Å; P4-I79 HydrophobicContact CG-CG2 3.62Å; P4-L88 HydrophobicContact CB-CD1 4.28Å; P4-Y101 HydrophobicContact CB-CD1 4.27Å; P4-Y101 HydrophobicContact CB-CE1 3.67Å; P4-Y101 HydrophobicContact CG-CD1 4.11Å; P4-Y101 HydrophobicContact CG-CE1 4.02Å
5L95.6Very high93.8Very high13 Ų1334 Ų347%0.06818%0.179CC..EExtended strand (participates in β ladder)trans-126.1139.6179.2-57.8177.2000109.1N3 D7 G52 L88 G110 C112 A125 L127 A130N3-L5 PolarHBondContact O-N 2.85Å; L5-D7 PolarHBondContact O-N 2.64Å; L5-G52 PolarHBondContact N-O 2.96Å; L5-G52 CarbonylContact O-C 3.52Å; L5-G52 VanDerWaalsContact O-C 3.23Å; L5-G52 WeakPolarHBondContact O-CA 3.48Å; L5-G52 PolarHBondContact O-N 2.85Å; L5-L88 WeakPolarHBondContact O-CD2 3.47Å; L5-G110 WeakPolarHBondContact CA-O 3.46Å; L5-C112 HydrophobicContact CB-CB 4.36Å; L5-C112 HydrophobicContact CD1-CB 4.22Å; L5-A125 HydrophobicContact CD1-CB 4.24Å; L5-L127 HydrophobicContact CD1-CD2 4.19Å; L5-L127 HydrophobicContact CD2-CD2 4.02Å; L5-A130 HydrophobicContact CD2-CB 4.18Å
6L92.6Very high93.9Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-81.3111167.1-174.668000108.4I8 Y49 F84 I87 L88 G110 T111 C112L6-I8 HydrophobicContact CG-CG1 4.43Å; L6-I8 PolarHBondContact O-N 2.93Å; L6-Y49 HydrophobicContact CD1-CD1 4.44Å; L6-Y49 HydrophobicContact CD2-CD1 3.8Å; L6-Y49 HydrophobicContact CD2-CE1 4.32Å; L6-Y49 HydrophobicContact CG-CD1 4.12Å; L6-F84 HydrophobicContact CD2-CB 3.69Å; L6-F84 HydrophobicContact CD2-CD1 3.35Å; L6-F84 HydrophobicContact CD2-CD2 4.12Å; L6-F84 HydrophobicContact CD2-CE1 3.93Å; L6-F84 HydrophobicContact CD2-CG 3.45Å; L6-F84 VanDerWaalsContact CD2-CG 3.45Å; L6-I87 HydrophobicContact CD1-CB 4.4Å; L6-I87 HydrophobicContact CD1-CG2 3.71Å; L6-L88 HydrophobicContact CB-CD1 4.47Å; L6-L88 HydrophobicContact CB-CD2 4.16Å; L6-L88 HydrophobicContact CB-CG 4.19Å; L6-L88 HydrophobicContact CD1-CD2 3.95Å; L6-L88 HydrophobicContact CD1-CG 4.25Å; L6-G110 PolarHBondContact N-O 3.25Å; L6-T111 HydrophobicContact CB-CG2 4.25Å; L6-T111 CarbonylContact O-C 3.59Å; L6-T111 VanDerWaalsContact O-CA 3.3Å; L6-T111 WeakPolarHBondContact O-CA 3.33Å; L6-C112 PolarHBondContact O-N 3.41Å
7D89.7Confident94Very high16 Ų1630.5 Ų30.59%0.08616%0.16CC..EExtended strand (participates in β ladder)trans-74.3122.7173.5-69-18.1000108.4L5 Y49 H50 G52 C112L5-D7 PolarHBondContact O-N 2.64Å; D7-Y49 WeakPolarHBondContact O-CA 3.42Å; D7-H50 HydrophobicContact CB-CB 4.2Å; D7-H50 PolarHBondContact N-O 2.93Å; D7-H50 PolarHBondContact O-N 2.99Å; D7-G52 VanDerWaalsContact OD2-CA 3.26Å; D7-G52 WeakPolarHBondContact OD2-CA 3.37Å; D7-C112 CarbonylContact C-O 3.55Å; D7-C112 WeakPolarHBondContact CA-O 3.16Å; D7-C112 VanDerWaalsContact OD1-CB 3.28Å; D7-C112 WeakPolarHBondContact OD1-CB 3.41Å
8I90.8Very high94.1Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-113.2103.1177.7-50.9177.3000106.8L6 I41 V42 V47 Y49 F84 T111 C112 A113 A114L6-I8 HydrophobicContact CG-CG1 4.43Å; L6-I8 PolarHBondContact O-N 2.93Å; I8-I41 HydrophobicContact CB-CG2 4.46Å; I8-I41 HydrophobicContact CG2-CG2 3.84Å; I8-V42 HydrophobicContact CD1-CG1 3.93Å; I8-V42 HydrophobicContact CG2-CG1 3.9Å; I8-V47 HydrophobicContact CG2-CG1 3.47Å; I8-V47 VanDerWaalsContact CG2-CG1 3.47Å; I8-Y49 HydrophobicContact CB-CE1 4.5Å; I8-Y49 HydrophobicContact CD1-CE1 4.33Å; I8-Y49 HydrophobicContact CG1-CD1 4.07Å; I8-Y49 HydrophobicContact CG1-CE1 3.98Å; I8-Y49 HydrophobicContact CG2-CD1 4.46Å; I8-Y49 HydrophobicContact CG2-CE1 3.98Å; I8-F84 HydrophobicContact CD1-CE2 4.43Å; I8-F84 HydrophobicContact CD1-CZ 4.37Å; I8-T111 HydrophobicContact CD1-CG2 3.83Å; I8-C112 PolarHBondContact N-O 2.83Å; I8-A113 WeakPolarHBondContact O-CA 3.46Å; I8-A114 PolarHBondContact O-N 2.85Å
9S89.7Confident94.2Very high2 Ų238.4 Ų38.41%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-109.3133.9-175.760.50000111.9V47 E48 A114S9-V47 WeakPolarHBondContact O-CA 3.33Å; S9-E48 PolarHBondContact N-O 3.29Å; S9-E48 PolarHBondContact O-N 2.85Å; S9-E48 PolarHBondContact OG-O 3.32Å; S9-A114 WeakPolarHBondContact CA-O 3.44Å
10A91.1Very high94.3Very high2 Ų236.9 Ų36.92%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-150.9147.3176.800000110.7V12 I41 R44 V47 A114 I116A10-V12 HydrophobicContact CB-CG1 4.48Å; A10-V12 PolarHBondContact O-N 2.9Å; A10-I41 HydrophobicContact CB-CD1 4.21Å; A10-I41 HydrophobicContact CB-CG1 3.78Å; A10-R44 HydrophobicContact CB-CB 4.12Å; A10-V47 HydrophobicContact CB-CG2 4.14Å; A10-A114 PolarHBondContact N-O 3.47Å; A10-A114 VanDerWaalsContact N-O 3.14Å; A10-I116 PolarHBondContact O-N 2.79Å
11V90Very high94.3Very high108 Ų10837.6 Ų37.666%0.65521%0.205SC*.EExtended strand (participates in β ladder)trans-72.5123.7164.6-178.40000108.1I116V11-I116 WeakPolarHBondContact CA-O 3.45Å; V11-I116 HydrophobicContact CG2-CB 4.43Å; V11-I116 HydrophobicContact CG2-CG2 4.44Å
12V92.4Very high94.1Very high13 Ų1337 Ų378%0.07920%0.202CC..  trans-119.9172179.4-54.80000110.5A10 F16 L17 C115 I116 T117A10-V12 HydrophobicContact CB-CG1 4.48Å; A10-V12 PolarHBondContact O-N 2.9Å; V12-F16 HydrophobicContact CB-CB 3.92Å; V12-F16 HydrophobicContact CB-CD1 3.87Å; V12-F16 HydrophobicContact CB-CG 4Å; V12-F16 HydrophobicContact CG1-CD1 3.76Å; V12-F16 HydrophobicContact CG1-CE1 4.06Å; V12-F16 HydrophobicContact CG1-CG 4.14Å; V12-F16 HydrophobicContact CG2-CB 4.24Å; V12-F16 HydrophobicContact CG2-CD1 3.96Å; V12-F16 HydrophobicContact CG2-CG 4.43Å; V12-L17 HydrophobicContact CG2-CD2 4.04Å; V12-L17 HydrophobicContact CG2-CG 4.34Å; V12-C115 HydrophobicContact CG1-CB 4.48Å; V12-C115 HydrophobicContact CG2-CB 3.82Å; V12-I116 PolarHBondContact N-O 3.12Å; V12-T117 HydrophobicContact CG2-CG2 3.68Å; V12-T117 WeakPolarHBondContact O-CG2 3.43Å
13D93.3Very high93.8Very high65 Ų6543.8 Ų43.835%0.34823%0.231SC..  trans-100.2166.3175.344.246000110.7D15 F16 L17 R44D13-D15 PolarHBondContact O-N 3.08Å; D13-F16 WeakPolarHBondContact O-CB 3.4Å; D13-F16 PolarHBondContact O-N 3.34Å; D13-F16 VanDerWaalsContact OD1-CB 3.25Å; D13-F16 WeakPolarHBondContact OD1-CB 3.19Å; D13-F16 PolarHBondContact OD1-N 3.42Å; D13-L17 PolarHBondContact O-N 3.17Å; D13-R44 IonicContact OD1-NH2 3.98Å; D13-R44 PolarHBondContact OD1-NH2 3.07Å; D13-R44 IonicContact OD2-CZ 2.74Å; D13-R44 IonicContact OD2-NH1 3.96Å; D13-R44 PolarHBondContact OD2-NH1 3.36Å; D13-R44 IonicContact OD2-NH2 2.75Å; D13-R44 PolarHBondContact OD2-NH2 3.48Å
14K94.2Very high93.3Very high137 Ų13746.5 Ų46.560%0.59625%0.25SC*.Hα-helixtrans-58.2-36.6176-176.4179.7177.6-66.50111.6F16 L17 D18K14-F16 VanDerWaalsContact C-N 3.27Å; K14-F16 PolarHBondContact O-N 2.9Å; K14-L17 PolarHBondContact O-N 3Å; K14-L17 VanDerWaalsContact O-N 3.12Å; K14-D18 IonicContact NZ-OD1 3.56Å; K14-D18 PolarHBondContact NZ-OD1 3.39Å; K14-D18 IonicContact NZ-OD2 3.26Å; K14-D18 PolarHBondContact NZ-OD2 2.66Å; K14-D18 PolarHBondContact O-N 3.16Å
15D95.9Very high92.5Very high122 Ų12250.8 Ų50.865%0.65227%0.272SS*.Hα-helixtrans-61.6-35.4179.1-64.2-12.2000111.9D13 K19D13-D15 PolarHBondContact O-N 3.08Å; D15-K19 VanDerWaalsContact O-CB 3.22Å; D15-K19 WeakPolarHBondContact O-CB 3.37Å; D15-K19 PolarHBondContact O-N 3.28Å
16F95.3Very high91.9Very high5 Ų552 Ų522%0.02228%0.279CS..Hα-helixtrans-64.7-44.6173-166.9-97000112.4V12 D13 K14 K19 F20 L37 E40 I41V12-F16 HydrophobicContact CB-CB 3.92Å; V12-F16 HydrophobicContact CB-CD1 3.87Å; V12-F16 HydrophobicContact CB-CG 4Å; V12-F16 HydrophobicContact CG1-CD1 3.76Å; V12-F16 HydrophobicContact CG1-CE1 4.06Å; V12-F16 HydrophobicContact CG1-CG 4.14Å; V12-F16 HydrophobicContact CG2-CB 4.24Å; V12-F16 HydrophobicContact CG2-CD1 3.96Å; V12-F16 HydrophobicContact CG2-CG 4.43Å; D13-F16 WeakPolarHBondContact O-CB 3.4Å; D13-F16 PolarHBondContact O-N 3.34Å; D13-F16 VanDerWaalsContact OD1-CB 3.25Å; D13-F16 WeakPolarHBondContact OD1-CB 3.19Å; D13-F16 PolarHBondContact OD1-N 3.42Å; K14-F16 VanDerWaalsContact C-N 3.27Å; K14-F16 PolarHBondContact O-N 2.9Å; F16-K19 PolarHBondContact O-N 3.15Å; F16-F20 HydrophobicContact CD1-CD2 4.26Å; F16-F20 HydrophobicContact CD2-CD2 4.47Å; F16-F20 HydrophobicContact CD2-CE2 4.08Å; F16-F20 HydrophobicContact CE1-CD2 4.02Å; F16-F20 HydrophobicContact CE1-CE2 4.13Å; F16-F20 HydrophobicContact CE2-CD2 4.28Å; F16-F20 AromaticContact CE2-CE2 3.65Å; F16-F20 HydrophobicContact CE2-CE2 3.65Å; F16-F20 HydrophobicContact CG-CD2 4.49Å; F16-F20 HydrophobicContact CZ-CD2 4.05Å; F16-F20 AromaticContact CZ-CE2 3.68Å; F16-F20 HydrophobicContact CZ-CE2 3.68Å; F16-F20 WeakPolarHBondContact O-CD2 3.41Å; F16-F20 PolarHBondContact O-N 2.63Å; F16-L37 HydrophobicContact CE1-CD1 4.43Å; F16-L37 HydrophobicContact CE1-CD2 4.43Å; F16-L37 HydrophobicContact CE1-CG 4Å; F16-L37 HydrophobicContact CZ-CD2 4.45Å; F16-L37 HydrophobicContact CZ-CG 4.01Å; F16-E40 HydrophobicContact CE2-CB 3.96Å; F16-E40 HydrophobicContact CZ-CB 4.44Å; F16-I41 HydrophobicContact CZ-CB 4.02Å
17L95.8Very high91.2Very high4 Ų459.2 Ų59.22%0.02131%0.313CS..Hα-helixtrans-63.1-48.6177-63.6-172.1000110.7V12 D13 K14 K19 F20 G21 L22 P24 C115 T117V12-L17 HydrophobicContact CG2-CD2 4.04Å; V12-L17 HydrophobicContact CG2-CG 4.34Å; D13-L17 PolarHBondContact O-N 3.17Å; K14-L17 PolarHBondContact O-N 3Å; K14-L17 VanDerWaalsContact O-N 3.12Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3Å; L17-F20 CarbonylContact O-C 3.55Å; L17-F20 PolarHBondContact O-N 2.83Å; L17-F20 VanDerWaalsContact O-N 3.16Å; L17-G21 PolarHBondContact O-N 3.3Å; L17-L22 HydrophobicContact CB-CB 4.24Å; L17-L22 HydrophobicContact CD2-CB 4.03Å; L17-L22 HydrophobicContact CD2-CD1 4.09Å; L17-L22 PolarHBondContact O-N 3.47Å; L17-P24 HydrophobicContact CD1-CG 4.29Å; L17-C115 HydrophobicContact CD2-CB 3.69Å; L17-T117 HydrophobicContact CD1-CG2 3.61Å; L17-T117 HydrophobicContact CG-CG2 3.97Å
18D95.9Very high91Very high87 Ų8761 Ų6147%0.46532%0.321SS..Hα-helixtrans-59.3-42.1179.6-70.6-16.8000111.3K14 F20 G21K14-D18 IonicContact NZ-OD1 3.56Å; K14-D18 PolarHBondContact NZ-OD1 3.39Å; K14-D18 IonicContact NZ-OD2 3.26Å; K14-D18 PolarHBondContact NZ-OD2 2.66Å; K14-D18 PolarHBondContact O-N 3.16Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 PolarHBondContact O-N 2.81Å; D18-G21 PolarHBondContact O-N 2.96Å; D18-G21 VanDerWaalsContact O-N 3.08Å
19K96.3Very high90.8Very high123 Ų12365 Ų6554%0.53534%0.343SS..Hα-helixtrans-56.3-38.6177.7176176.7175.9178.90112.9D15 F16 L17 E40D15-K19 VanDerWaalsContact O-CB 3.22Å; D15-K19 WeakPolarHBondContact O-CB 3.37Å; D15-K19 PolarHBondContact O-N 3.28Å; F16-K19 PolarHBondContact O-N 3.15Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3Å; K19-E40 IonicContact NZ-OE1 3.66Å; K19-E40 PolarHBondContact NZ-OE1 3Å; K19-E40 IonicContact NZ-OE2 3.16Å; K19-E40 PolarHBondContact NZ-OE2 3.31Å
20F96.1Very high90.9Very high9 Ų966.3 Ų66.34%0.03935%0.353CS..Hα-helixtrans-98.34.7-179.7-67.7-68000113.2F16 L17 D18 L22 H34 A36 L37F16-F20 HydrophobicContact CD1-CD2 4.26Å; F16-F20 HydrophobicContact CD2-CD2 4.47Å; F16-F20 HydrophobicContact CD2-CE2 4.08Å; F16-F20 HydrophobicContact CE1-CD2 4.02Å; F16-F20 HydrophobicContact CE1-CE2 4.13Å; F16-F20 HydrophobicContact CE2-CD2 4.28Å; F16-F20 AromaticContact CE2-CE2 3.65Å; F16-F20 HydrophobicContact CE2-CE2 3.65Å; F16-F20 HydrophobicContact CG-CD2 4.49Å; F16-F20 HydrophobicContact CZ-CD2 4.05Å; F16-F20 AromaticContact CZ-CE2 3.68Å; F16-F20 HydrophobicContact CZ-CE2 3.68Å; F16-F20 WeakPolarHBondContact O-CD2 3.41Å; F16-F20 PolarHBondContact O-N 2.63Å; L17-F20 CarbonylContact O-C 3.55Å; L17-F20 PolarHBondContact O-N 2.83Å; L17-F20 VanDerWaalsContact O-N 3.16Å; D18-F20 VanDerWaalsContact C-N 3.26Å; D18-F20 PolarHBondContact O-N 2.81Å; F20-L22 VanDerWaalsContact C-N 3.27Å; F20-L22 HydrophobicContact CB-CD1 4.12Å; F20-L22 HydrophobicContact CB-CG 3.9Å; F20-L22 PolarHBondContact O-N 3.47Å; F20-H34 PolarHBondContact O-CD2 2.83Å; F20-H34 PolarHBondContact O-NE2 2.84Å; F20-A36 HydrophobicContact CE1-CB 4.18Å; F20-A36 HydrophobicContact CZ-CB 4.48Å; F20-L37 HydrophobicContact CB-CD1 4.08Å; F20-L37 HydrophobicContact CD1-CB 3.93Å; F20-L37 HydrophobicContact CD1-CD1 4.46Å; F20-L37 HydrophobicContact CD2-CB 4.15Å; F20-L37 HydrophobicContact CD2-CD1 4.03Å; F20-L37 HydrophobicContact CD2-CG 3.99Å; F20-L37 HydrophobicContact CE1-CB 3.84Å; F20-L37 HydrophobicContact CE2-CB 4.07Å; F20-L37 HydrophobicContact CE2-CG 4.16Å; F20-L37 HydrophobicContact CG-CB 4.1Å; F20-L37 HydrophobicContact CG-CD1 3.92Å; F20-L37 HydrophobicContact CG-CG 4.21Å; F20-L37 VanDerWaalsContact CZ-CA 3.44Å; F20-L37 HydrophobicContact CZ-CB 3.92Å
21G94.9Very high90.8Very high52 Ų5271.3 Ų71.354%0.53638%0.376SS..THydrogen-bonded Turntrans65.531-179.800000113.3L17 D18L17-G21 PolarHBondContact O-N 3.3Å; D18-G21 PolarHBondContact O-N 2.96Å; D18-G21 VanDerWaalsContact O-N 3.08Å
22L94.6Very high90.8Very high7 Ų772.1 Ų72.14%0.03738%0.377CS..PPolyproline II helixtrans-92.3136.2-179.6-58.1-179.2000110.4L17 F20 I28 L37 V124L17-L22 HydrophobicContact CB-CB 4.24Å; L17-L22 HydrophobicContact CD2-CB 4.03Å; L17-L22 HydrophobicContact CD2-CD1 4.09Å; L17-L22 PolarHBondContact O-N 3.47Å; F20-L22 VanDerWaalsContact C-N 3.27Å; F20-L22 HydrophobicContact CB-CD1 4.12Å; F20-L22 HydrophobicContact CB-CG 3.9Å; F20-L22 PolarHBondContact O-N 3.47Å; L22-I28 HydrophobicContact CD2-CD1 3.58Å; L22-I28 HydrophobicContact CD2-CG1 4.45Å; L22-L37 HydrophobicContact CD1-CD1 3.7Å; L22-V124 HydrophobicContact CD1-CG2 3.69Å; L22-V124 HydrophobicContact CD2-CG2 3.51Å; L22-V124 HydrophobicContact CG-CG2 4.26Å
23K91.5Very high90.7Very high142 Ų14277 Ų7762%0.61740%0.398SS*.PPolyproline II helixtrans-87.9153166.2-55172.7-176170.30109.8N25 D26 S122K23-N25 PolarHBondContact O-N 3.35Å; K23-D26 WeakPolarHBondContact CB-OD2 3.48Å; K23-D26 PolarHBondContact N-OD2 3.16Å; K23-D26 PolarHBondContact O-N 3.47Å; K23-S122 WeakPolarHBondContact O-CB 3.2Å; K23-S122 PolarHBondContact O-OG 3.14Å
24P86.6Confident90.8Very high70 Ų7074 Ų7446%0.45538%0.381SS..THydrogen-bonded Turntrans-51.7134.3162.7-22.933.6000110.1L17 D26 N120L17-P24 HydrophobicContact CD1-CG 4.29Å; P24-D26 VanDerWaalsContact C-N 3.29Å; P24-D26 PolarHBondContact O-N 3.37Å; P24-N120 HydrophobicContact CB-CB 3.7Å
25N80.9Confident90.4Very high90 Ų9073.7 Ų73.748%0.48138%0.38SS..THydrogen-bonded Turntrans66.414.5-179.3-54.6-39000117.1K23 N120 R121K23-N25 PolarHBondContact O-N 3.35Å; N25-N120 PolarHBondContact ND2-OD1 3.46Å; N25-N120 WeakPolarHBondContact OD1-CA 3.43Å; N25-N120 WeakPolarHBondContact OD1-CB 3.21Å; N25-R121 VanDerWaalsContact CA-O 3.27Å; N25-R121 WeakPolarHBondContact CA-O 3.41Å; N25-R121 PolarHBondContact OD1-N 3.23Å
26D83.1Confident90.2Very high39 Ų3970 Ų7021%0.20937%0.367CS..  trans-63.9148.2170.7-88.8-13.9000111.7K23 P24 I28 S122 L123K23-D26 WeakPolarHBondContact CB-OD2 3.48Å; K23-D26 PolarHBondContact N-OD2 3.16Å; K23-D26 PolarHBondContact O-N 3.47Å; P24-D26 VanDerWaalsContact C-N 3.29Å; P24-D26 PolarHBondContact O-N 3.37Å; D26-I28 HydrophobicContact CB-CG2 4.36Å; D26-S122 CarbonylContact O-C 3.6Å; D26-S122 WeakPolarHBondContact O-CA 3.34Å; D26-L123 PolarHBondContact O-N 2.86Å
27Q78.3Confident90.2Very high151 Ų15169.8 Ų69.871%0.70637%0.366SS*.EExtended strand (participates in β ladder)trans-131.6104.6166.7-58.2-175.417.700108.5L123Q27-L123 WeakPolarHBondContact CA-O 3.49Å; Q27-L123 HydrophobicContact CG-CB 4.29Å; Q27-L123 HydrophobicContact CG-CD1 4.06Å; Q27-L123 HydrophobicContact CG-CG 4.42Å
28I84.8Confident89.9Confident52 Ų5270.5 Ų70.527%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-135.1158-170.663.3169.6000112.3L22 D26 H34 L123 V124 A125L22-I28 HydrophobicContact CD2-CD1 3.58Å; L22-I28 HydrophobicContact CD2-CG1 4.45Å; D26-I28 HydrophobicContact CB-CG2 4.36Å; I28-H34 WeakPolarHBondContact CD1-CE1 3.41Å; I28-L123 PolarHBondContact N-O 3.46Å; I28-V124 HydrophobicContact CD1-CG1 4.5Å; I28-V124 HydrophobicContact CD1-CG2 4.26Å; I28-V124 HydrophobicContact CG1-CB 4.45Å; I28-V124 HydrophobicContact CG1-CG1 4.27Å; I28-V124 HydrophobicContact CG1-CG2 4.05Å; I28-V124 WeakPolarHBondContact O-CA 3.39Å; I28-A125 PolarHBondContact O-N 2.95Å
29L85.9Confident89.5Confident85 Ų8572.6 Ų72.645%0.44538%0.375SS..EExtended strand (participates in β ladder)trans-79.2143.4163.7-67.3174.5000109.6A125 L127L29-A125 CarbonylContact C-O 3.59Å; L29-A125 WeakPolarHBondContact CA-O 3.32Å; L29-A125 HydrophobicContact CD2-CB 4.21Å; L29-L127 HydrophobicContact CD2-CD1 4.03Å; L29-L127 HydrophobicContact CD2-CD2 4.43Å; L29-L127 HydrophobicContact CD2-CG 3.99Å
30A91.4Very high89.4Confident29 Ų2969.5 Ų69.524%0.2436%0.363CS..  trans-61.5138.417500000110.6H34 F38 V124 A125 N126A30-H34 HydrophobicContact CB-CB 4.05Å; A30-F38 HydrophobicContact CB-CE2 3.99Å; A30-F38 HydrophobicContact CB-CZ 4.27Å; A30-V124 HydrophobicContact CB-CG1 3.98Å; A30-A125 PolarHBondContact N-O 2.92Å; A30-N126 HydrophobicContact CB-CB 3.78Å
31E90.8Very high89.2Confident107 Ų10769.1 Ų69.150%0.536%0.361SS..  trans-111.1174.9172.3-66.9171.9-15500107K33 H34E31-K33 HydrophobicContact CB-CG 4.21Å; E31-K33 PolarHBondContact O-N 3.19Å; E31-K33 VanDerWaalsContact O-N 3.15Å; E31-K33 IonicContact OE1-NZ 3.25Å; E31-K33 WeakPolarHBondContact OE2-CE 3.12Å; E31-K33 IonicContact OE2-NZ 2.89Å; E31-K33 PolarHBondContact OE2-NZ 3.11Å; E31-H34 PolarHBondContact N-ND1 3.45Å; E31-H34 WeakPolarHBondContact O-CA 3.42Å; E31-H34 WeakPolarHBondContact O-CB 3.36Å; E31-H34 PolarHBondContact O-N 3.38Å
32D88.2Confident89Confident126 Ų12668.7 Ų68.767%0.67435%0.348SS*.G310 helixtrans-55-36.8178.4-75.5-35.4000113.1H34 K35D32-H34 PolarHBondContact O-N 2.8Å; D32-K35 PolarHBondContact O-N 3.39Å; D32-K35 VanDerWaalsContact OD1-CE 3.28Å; D32-K35 WeakPolarHBondContact OD1-CE 3.49Å; D32-K35 IonicContact OD1-NZ 3.41Å; D32-K35 PolarHBondContact OD1-NZ 3.12Å
33K91.6Very high88.8Confident116 Ų11675.7 Ų75.750%0.50438%0.378SS..G310 helixtrans-64.7-21.817669.8-176.2-176.4-161.50113.8E31E31-K33 HydrophobicContact CB-CG 4.21Å; E31-K33 PolarHBondContact O-N 3.19Å; E31-K33 VanDerWaalsContact O-N 3.15Å; E31-K33 IonicContact OE1-NZ 3.25Å; E31-K33 WeakPolarHBondContact OE2-CE 3.12Å; E31-K33 IonicContact OE2-NZ 2.89Å; E31-K33 PolarHBondContact OE2-NZ 3.11Å
34H95.1Very high88.7Confident1 Ų172.8 Ų72.81%0.00536%0.364CS..G310 helixtrans-90.1-8.6-178.7-55.8134.1000112.9F20 I28 A30 E31 D32 A36 L37 V124F20-H34 PolarHBondContact O-CD2 2.83Å; F20-H34 PolarHBondContact O-NE2 2.84Å; I28-H34 WeakPolarHBondContact CD1-CE1 3.41Å; A30-H34 HydrophobicContact CB-CB 4.05Å; E31-H34 PolarHBondContact N-ND1 3.45Å; E31-H34 WeakPolarHBondContact O-CA 3.42Å; E31-H34 WeakPolarHBondContact O-CB 3.36Å; E31-H34 PolarHBondContact O-N 3.38Å; D32-H34 PolarHBondContact O-N 2.8Å; H34-A36 VanDerWaalsContact C-N 3.34Å; H34-A36 PolarHBondContact O-N 3.38Å; H34-L37 WeakPolarHBondContact O-CB 3.32Å; H34-L37 PolarHBondContact O-N 3.15Å; H34-V124 HydrophobicContact CB-CG1 4.01Å
35K86.7Confident88.4Confident131 Ų13176.6 Ų76.657%0.5738%0.38SS*.Hα-helixtrans-57.4-43.7-176.2-75.5175.4170.2164.50113.1D32 L37D32-K35 PolarHBondContact O-N 3.39Å; D32-K35 VanDerWaalsContact OD1-CE 3.28Å; D32-K35 WeakPolarHBondContact OD1-CE 3.49Å; D32-K35 IonicContact OD1-NZ 3.41Å; D32-K35 PolarHBondContact OD1-NZ 3.12Å; K35-L37 PolarHBondContact O-N 3.33Å
36A91.2Very high88.5Confident45 Ų4581.8 Ų81.837%0.37240%0.398SS..Hα-helixtrans-67.8-18.1178.500000113.6F20 H34 F38 E39 E40F20-A36 HydrophobicContact CE1-CB 4.18Å; F20-A36 HydrophobicContact CZ-CB 4.48Å; H34-A36 VanDerWaalsContact C-N 3.34Å; H34-A36 PolarHBondContact O-N 3.38Å; A36-F38 VanDerWaalsContact C-N 3.32Å; A36-F38 PolarHBondContact O-N 2.86Å; A36-E39 PolarHBondContact O-N 3.26Å; A36-E40 WeakPolarHBondContact O-CG 3.43Å; A36-E40 PolarHBondContact O-N 3.26Å; A36-E40 VanDerWaalsContact O-N 3.15Å
37L94.3Very high88.8Confident0 Ų081.2 Ų81.20%040%0.396CS..Hα-helixtrans-57.9-46.6179.5-174.1161.1000111.1F16 F20 L22 H34 K35 E39 E40 I41 A113 V124F16-L37 HydrophobicContact CE1-CD1 4.43Å; F16-L37 HydrophobicContact CE1-CD2 4.43Å; F16-L37 HydrophobicContact CE1-CG 4Å; F16-L37 HydrophobicContact CZ-CD2 4.45Å; F16-L37 HydrophobicContact CZ-CG 4.01Å; F20-L37 HydrophobicContact CB-CD1 4.08Å; F20-L37 HydrophobicContact CD1-CB 3.93Å; F20-L37 HydrophobicContact CD1-CD1 4.46Å; F20-L37 HydrophobicContact CD2-CB 4.15Å; F20-L37 HydrophobicContact CD2-CD1 4.03Å; F20-L37 HydrophobicContact CD2-CG 3.99Å; F20-L37 HydrophobicContact CE1-CB 3.84Å; F20-L37 HydrophobicContact CE2-CB 4.07Å; F20-L37 HydrophobicContact CE2-CG 4.16Å; F20-L37 HydrophobicContact CG-CB 4.1Å; F20-L37 HydrophobicContact CG-CD1 3.92Å; F20-L37 HydrophobicContact CG-CG 4.21Å; F20-L37 VanDerWaalsContact CZ-CA 3.44Å; F20-L37 HydrophobicContact CZ-CB 3.92Å; L22-L37 HydrophobicContact CD1-CD1 3.7Å; H34-L37 WeakPolarHBondContact O-CB 3.32Å; H34-L37 PolarHBondContact O-N 3.15Å; K35-L37 PolarHBondContact O-N 3.33Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 3.21Å; L37-E40 PolarHBondContact O-N 3.42Å; L37-E40 VanDerWaalsContact O-N 3.12Å; L37-I41 HydrophobicContact CD2-CB 4.32Å; L37-I41 HydrophobicContact CD2-CG2 4.18Å; L37-I41 WeakPolarHBondContact O-CB 3.49Å; L37-I41 WeakPolarHBondContact O-CG2 3.17Å; L37-I41 PolarHBondContact O-N 3.2Å; L37-A113 HydrophobicContact CD2-CB 3.19Å; L37-V124 HydrophobicContact CD1-CB 4.35Å; L37-V124 HydrophobicContact CD1-CG2 3.98Å
38F90.3Very high89.2Confident18 Ų1878.5 Ų78.58%0.07938%0.383CS..Hα-helixtrans-67.3-31.2-175-60.5-84.1000112.5A30 A36 V42 T111 A113 V124 N126A30-F38 HydrophobicContact CB-CE2 3.99Å; A30-F38 HydrophobicContact CB-CZ 4.27Å; A36-F38 VanDerWaalsContact C-N 3.32Å; A36-F38 PolarHBondContact O-N 2.86Å; F38-V42 WeakPolarHBondContact O-CG1 3.4Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-T111 VanDerWaalsContact CD1-OG1 3.26Å; F38-T111 WeakPolarHBondContact CD1-OG1 3.05Å; F38-T111 WeakPolarHBondContact CE1-OG1 3.3Å; F38-A113 HydrophobicContact CD1-CB 4.02Å; F38-A113 HydrophobicContact CE1-CB 3.68Å; F38-A113 HydrophobicContact CZ-CB 4.39Å; F38-V124 WeakPolarHBondContact CE1-O 3.16Å; F38-V124 HydrophobicContact CZ-CB 4.45Å; F38-V124 HydrophobicContact CZ-CG1 4.14Å; F38-V124 VanDerWaalsContact CZ-O 3.29Å; F38-V124 WeakPolarHBondContact CZ-O 3.39Å; F38-N126 HydrophobicContact CD2-CB 4.33Å; F38-N126 HydrophobicContact CE1-CB 4.13Å; F38-N126 HydrophobicContact CE2-CB 3.56Å; F38-N126 HydrophobicContact CZ-CB 3.44Å; F38-N126 VanDerWaalsContact CZ-CB 3.44Å
39E88.1Confident89.3Confident131 Ų13179.4 Ų79.461%0.61238%0.384SS*.Hα-helixtrans-76.2-26.1174.1-64.8-175.9-175.700113.1A36 L37 V42 K43A36-E39 PolarHBondContact O-N 3.26Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 3.21Å; E39-V42 VanDerWaalsContact O-CG2 3.3Å; E39-V42 WeakPolarHBondContact O-CG2 3.42Å; E39-K43 WeakPolarHBondContact O-CD 3.06Å; E39-K43 WeakPolarHBondContact O-CE 3.45Å; E39-K43 WeakPolarHBondContact O-CG 3.46Å
40E93.3Very high89.2Confident59 Ų5977.1 Ų77.128%0.27637%0.371SS..Hα-helixtrans-88-39.6-179.8-71.8-172.9-154.900112.7F16 K19 A36 L37 V42 K43F16-E40 HydrophobicContact CE2-CB 3.96Å; F16-E40 HydrophobicContact CZ-CB 4.44Å; K19-E40 IonicContact NZ-OE1 3.66Å; K19-E40 PolarHBondContact NZ-OE1 3Å; K19-E40 IonicContact NZ-OE2 3.16Å; K19-E40 PolarHBondContact NZ-OE2 3.31Å; A36-E40 WeakPolarHBondContact O-CG 3.43Å; A36-E40 PolarHBondContact O-N 3.26Å; A36-E40 VanDerWaalsContact O-N 3.15Å; L37-E40 PolarHBondContact O-N 3.42Å; L37-E40 VanDerWaalsContact O-N 3.12Å; E40-V42 VanDerWaalsContact C-N 3.29Å; E40-V42 PolarHBondContact O-N 3.15Å; E40-K43 WeakPolarHBondContact O-CB 3.29Å; E40-K43 PolarHBondContact O-N 3.21Å; E40-K43 VanDerWaalsContact O-N 3.11Å
41I92.1Very high89Confident0 Ų076 Ų760%036%0.362CS..Hα-helixtrans-63.9-36.6-179.1-164.9172.4000111.3I8 A10 F16 L37 K43 R44 V47 A113I8-I41 HydrophobicContact CB-CG2 4.46Å; I8-I41 HydrophobicContact CG2-CG2 3.84Å; A10-I41 HydrophobicContact CB-CD1 4.21Å; A10-I41 HydrophobicContact CB-CG1 3.78Å; F16-I41 HydrophobicContact CZ-CB 4.02Å; L37-I41 HydrophobicContact CD2-CB 4.32Å; L37-I41 HydrophobicContact CD2-CG2 4.18Å; L37-I41 WeakPolarHBondContact O-CB 3.49Å; L37-I41 WeakPolarHBondContact O-CG2 3.17Å; L37-I41 PolarHBondContact O-N 3.2Å; I41-K43 PolarHBondContact O-N 2.93Å; I41-R44 VanDerWaalsContact O-CB 3.31Å; I41-R44 WeakPolarHBondContact O-CB 3.5Å; I41-R44 WeakPolarHBondContact O-CG 3.27Å; I41-R44 PolarHBondContact O-N 2.91Å; I41-R44 VanDerWaalsContact O-N 3.07Å; I41-V47 WeakPolarHBondContact O-CG2 3.43Å; I41-A113 HydrophobicContact CD1-CB 3.97Å
42V90.6Very high88.9Confident44 Ų4471 Ų7127%0.26734%0.338SS..THydrogen-bonded Turntrans-66.5-17.3177.4-63.20000113.7I8 F38 E39 E40 Y49 F84I8-V42 HydrophobicContact CD1-CG1 3.93Å; I8-V42 HydrophobicContact CG2-CG1 3.9Å; F38-V42 WeakPolarHBondContact O-CG1 3.4Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; E39-V42 VanDerWaalsContact O-CG2 3.3Å; E39-V42 WeakPolarHBondContact O-CG2 3.42Å; E40-V42 VanDerWaalsContact C-N 3.29Å; E40-V42 PolarHBondContact O-N 3.15Å; V42-Y49 HydrophobicContact CG1-CE1 4.29Å; V42-Y49 WeakPolarHBondContact CG1-OH 3.33Å; V42-F84 HydrophobicContact CG1-CZ 4.5Å
43K90.7Very high89.1Confident154 Ų15465.2 Ų65.267%0.6731%0.309SS*.THydrogen-bonded Turntrans-88.3-6.5176.5-63.2169.3-173.6159.20112.5E39 E40 I41E39-K43 WeakPolarHBondContact O-CD 3.06Å; E39-K43 WeakPolarHBondContact O-CE 3.45Å; E39-K43 WeakPolarHBondContact O-CG 3.46Å; E40-K43 WeakPolarHBondContact O-CB 3.29Å; E40-K43 PolarHBondContact O-N 3.21Å; E40-K43 VanDerWaalsContact O-N 3.11Å; I41-K43 PolarHBondContact O-N 2.93Å
44R88.4Confident89.2Confident81 Ų8160.5 Ų60.531%0.30629%0.291SS..SBendtrans-69.7159.5175.9-65.2-68-170.7155.33.3110.4A10 D13 I41 V47A10-R44 HydrophobicContact CB-CB 4.12Å; D13-R44 IonicContact OD1-NH2 3.98Å; D13-R44 PolarHBondContact OD1-NH2 3.07Å; D13-R44 IonicContact OD2-CZ 2.74Å; D13-R44 IonicContact OD2-NH1 3.96Å; D13-R44 PolarHBondContact OD2-NH1 3.36Å; D13-R44 IonicContact OD2-NH2 2.75Å; D13-R44 PolarHBondContact OD2-NH2 3.48Å; I41-R44 VanDerWaalsContact O-CB 3.31Å; I41-R44 WeakPolarHBondContact O-CB 3.5Å; I41-R44 WeakPolarHBondContact O-CG 3.27Å; I41-R44 PolarHBondContact O-N 2.91Å; I41-R44 VanDerWaalsContact O-N 3.07Å; R44-V47 HydrophobicContact CB-CG2 4.13Å; R44-V47 WeakPolarHBondContact O-CG2 3.44Å
45N80.1Confident89.4Confident150 Ų15060.6 Ų60.680%0.80229%0.292SS*.THydrogen-bonded Turntrans-73.3142.2175.4-69.6-28.1000110.2V47N45-V47 PolarHBondContact O-N 3.42Å
46K83.8Confident89.9Confident198 Ų19854.6 Ų54.686%0.86127%0.265SS*.THydrogen-bonded Turntrans5843.2175.8-54.2-179.8179.1-179.50114E48K46-E48 PolarHBondContact O-N 3.09Å
47V89.1Confident90.2Very high27 Ų2752.7 Ų52.716%0.16425%0.249CC..  trans-67130.2169.8177.80000109.2I8 S9 A10 I41 R44 N45 Y49I8-V47 HydrophobicContact CG2-CG1 3.47Å; I8-V47 VanDerWaalsContact CG2-CG1 3.47Å; S9-V47 WeakPolarHBondContact O-CA 3.33Å; A10-V47 HydrophobicContact CB-CG2 4.14Å; I41-V47 WeakPolarHBondContact O-CG2 3.43Å; R44-V47 HydrophobicContact CB-CG2 4.13Å; R44-V47 WeakPolarHBondContact O-CG2 3.44Å; N45-V47 PolarHBondContact O-N 3.42Å; V47-Y49 HydrophobicContact CB-CE2 4.47Å; V47-Y49 HydrophobicContact CG1-CD2 4.44Å; V47-Y49 HydrophobicContact CG1-CE1 4.13Å; V47-Y49 HydrophobicContact CG1-CE2 3.88Å
48E86.4Confident90.4Very high94 Ų9452.7 Ų52.744%0.43925%0.249SC..EExtended strand (participates in β ladder)trans-108.8139.6173.1-58.1-174.7174.800110.8S9 K46 H50S9-E48 PolarHBondContact N-O 3.29Å; S9-E48 PolarHBondContact O-N 2.85Å; S9-E48 PolarHBondContact OG-O 3.32Å; K46-E48 PolarHBondContact O-N 3.09Å; E48-H50 WeakPolarHBondContact CB-NE2 3.44Å; E48-H50 IonicContact OE2-CE1 2.71Å; E48-H50 IonicContact OE2-NE2 2.84Å; E48-H50 PolarHBondContact OE2-NE2 2.79Å
49Y86.9Confident90.7Very high71 Ų7152.4 Ų52.428%0.27825%0.249SC..EExtended strand (participates in β ladder)trans-113.6123.5-179.9-63.4-81000110.4L6 D7 I8 V42 V47 F84L6-Y49 HydrophobicContact CD1-CD1 4.44Å; L6-Y49 HydrophobicContact CD2-CD1 3.8Å; L6-Y49 HydrophobicContact CD2-CE1 4.32Å; L6-Y49 HydrophobicContact CG-CD1 4.12Å; D7-Y49 WeakPolarHBondContact O-CA 3.42Å; I8-Y49 HydrophobicContact CB-CE1 4.5Å; I8-Y49 HydrophobicContact CD1-CE1 4.33Å; I8-Y49 HydrophobicContact CG1-CD1 4.07Å; I8-Y49 HydrophobicContact CG1-CE1 3.98Å; I8-Y49 HydrophobicContact CG2-CD1 4.46Å; I8-Y49 HydrophobicContact CG2-CE1 3.98Å; V42-Y49 HydrophobicContact CG1-CE1 4.29Å; V42-Y49 WeakPolarHBondContact CG1-OH 3.33Å; V47-Y49 HydrophobicContact CB-CE2 4.47Å; V47-Y49 HydrophobicContact CG1-CD2 4.44Å; V47-Y49 HydrophobicContact CG1-CE1 4.13Å; V47-Y49 HydrophobicContact CG1-CE2 3.88Å; Y49-F84 HydrophobicContact CE1-CE1 4.32Å
50H83.8Confident91.1Very high37 Ų3746.8 Ų46.817%0.17122%0.222CC..EExtended strand (participates in β ladder)trans-127.6145-179.8-58.8-72.3000110.7D7 E48 G52 T326D7-H50 HydrophobicContact CB-CB 4.2Å; D7-H50 PolarHBondContact N-O 2.93Å; D7-H50 PolarHBondContact O-N 2.99Å; E48-H50 WeakPolarHBondContact CB-NE2 3.44Å; E48-H50 IonicContact OE2-CE1 2.71Å; E48-H50 IonicContact OE2-NE2 2.84Å; E48-H50 PolarHBondContact OE2-NE2 2.79Å; H50-G52 PolarHBondContact O-N 3.3Å; H50-T326 VanDerWaalsContact CE1-CG2 3.43Å; H50-T326 WeakPolarHBondContact CE1-CG2 3.27Å; H50-T326 WeakPolarHBondContact ND1-CG2 3.29Å
51A86.6Confident91.3Very high7 Ų744 Ų446%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-68111.7166.500000108.9N57 K60 L88 K91A51-N57 PolarHBondContact O-OD1 3.38Å; A51-K60 PolarHBondContact O-NZ 3.34Å; A51-L88 HydrophobicContact CB-CD2 4.08Å; A51-K91 HydrophobicContact CB-CB 3.53Å
52G89.2Confident91.6Very high0 Ų044.4 Ų44.40%021%0.212CC..EExtended strand (participates in β ladder)trans-118.9-166.1-173.900000113.6L5 D7 H50 Q56L5-G52 PolarHBondContact N-O 2.96Å; L5-G52 CarbonylContact O-C 3.52Å; L5-G52 VanDerWaalsContact O-C 3.23Å; L5-G52 WeakPolarHBondContact O-CA 3.48Å; L5-G52 PolarHBondContact O-N 2.85Å; D7-G52 VanDerWaalsContact OD2-CA 3.26Å; D7-G52 WeakPolarHBondContact OD2-CA 3.37Å; H50-G52 PolarHBondContact O-N 3.3Å; G52-Q56 WeakPolarHBondContact O-CB 3.4Å
53G92.9Very high92Very high6 Ų642.4 Ų42.46%0.06220%0.2CC..  trans90.6130.7-170.600000111.9N3 T55 Q56 N57N3-G53 WeakPolarHBondContact O-CA 3.29Å; G53-T55 PolarHBondContact O-N 2.76Å; G53-Q56 CarbonylContact O-C 3.5Å; G53-Q56 WeakPolarHBondContact O-CA 3.36Å; G53-Q56 WeakPolarHBondContact O-CB 3.45Å; G53-Q56 PolarHBondContact O-N 2.84Å; G53-N57 PolarHBondContact O-N 2.93Å
54S94.5Very high92.3Very high17 Ų1735.5 Ų35.512%0.11917%0.17CC..Hα-helixtrans-51.8-53.6-166.7170.60000114.4Q56 N57 S58 D289S54-Q56 VanDerWaalsContact C-N 3.29Å; S54-Q56 PolarHBondContact O-N 2.96Å; S54-N57 WeakPolarHBondContact O-CB 3.26Å; S54-N57 PolarHBondContact O-N 3.29Å; S54-S58 PolarHBondContact O-N 3.45Å; S54-S58 VanDerWaalsContact O-N 3.08Å; S54-S58 PolarHBondContact O-OG 3.03Å; S54-D289 WeakPolarHBondContact CA-OD1 3.4Å; S54-D289 WeakPolarHBondContact CA-OD2 3.49Å; S54-D289 VanDerWaalsContact CB-OD1 3.26Å; S54-D289 WeakPolarHBondContact CB-OD1 3.48Å; S54-D289 PolarHBondContact OG-OD1 3.43Å
55T98.3Very high92.8Very high3 Ų332 Ų322%0.01816%0.157CC..Hα-helixtrans-61.9-37.9177.4-51.90000112.3M1 G53 N57 S58 V59 F75 Y155 A157M1-T55 VanDerWaalsContact O-CG2 3.3Å; M1-T55 WeakPolarHBondContact O-CG2 3.47Å; M1-T55 PolarHBondContact O-OG1 2.88Å; G53-T55 PolarHBondContact O-N 2.76Å; T55-N57 VanDerWaalsContact C-N 3.35Å; T55-S58 PolarHBondContact O-N 3.47Å; T55-V59 HydrophobicContact CG2-CG2 4.34Å; T55-V59 WeakPolarHBondContact O-CB 3.42Å; T55-V59 VanDerWaalsContact O-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.28Å; T55-V59 PolarHBondContact O-N 3.08Å; T55-F75 HydrophobicContact CG2-CD2 4.34Å; T55-F75 HydrophobicContact CG2-CE2 4Å; T55-Y155 HydrophobicContact CG2-CD1 3.87Å; T55-Y155 HydrophobicContact CG2-CE1 4.12Å; T55-A157 WeakPolarHBondContact OG1-CB 3.42Å; T55-A157 PolarHBondContact OG1-N 2.84Å
56Q97.6Very high93.6Very high4 Ų426.2 Ų26.22%0.01913%0.126CC..Hα-helixtrans-69.5-36.9-178.9-171.2165.1-39.700110.9P4 G52 G53 S54 V59 K60 F75 Y101P4-Q56 VanDerWaalsContact CB-OE1 3.23Å; G52-Q56 WeakPolarHBondContact O-CB 3.4Å; G53-Q56 CarbonylContact O-C 3.5Å; G53-Q56 WeakPolarHBondContact O-CA 3.36Å; G53-Q56 WeakPolarHBondContact O-CB 3.45Å; G53-Q56 PolarHBondContact O-N 2.84Å; S54-Q56 VanDerWaalsContact C-N 3.29Å; S54-Q56 PolarHBondContact O-N 2.96Å; Q56-V59 PolarHBondContact O-N 2.98Å; Q56-K60 WeakPolarHBondContact O-CG 3.27Å; Q56-K60 PolarHBondContact O-N 2.98Å; Q56-F75 HydrophobicContact CB-CD2 3.95Å; Q56-F75 HydrophobicContact CB-CE1 4.38Å; Q56-F75 HydrophobicContact CB-CE2 3.54Å; Q56-F75 HydrophobicContact CB-CZ 3.78Å; Q56-F75 HydrophobicContact CG-CD1 4.47Å; Q56-F75 HydrophobicContact CG-CD2 4.25Å; Q56-F75 HydrophobicContact CG-CE1 4.49Å; Q56-F75 HydrophobicContact CG-CE2 4.24Å; Q56-F75 HydrophobicContact CG-CG 4.36Å; Q56-F75 HydrophobicContact CG-CZ 4.36Å; Q56-F75 VanDerWaalsContact OE1-CE1 3.26Å; Q56-Y101 VanDerWaalsContact CD-OH 3.32Å; Q56-Y101 PolarHBondContact NE2-OH 2.86Å; Q56-Y101 PolarHBondContact OE1-OH 2.95Å
57N96.9Very high94.2Very high5 Ų519.8 Ų19.83%0.02710%0.099CC..Hα-helixtrans-59.3-52172.1-76-20000111.8A51 G53 S54 T55 V59 K60 I61 D289 C325A51-N57 PolarHBondContact O-OD1 3.38Å; G53-N57 PolarHBondContact O-N 2.93Å; S54-N57 WeakPolarHBondContact O-CB 3.26Å; S54-N57 PolarHBondContact O-N 3.29Å; T55-N57 VanDerWaalsContact C-N 3.35Å; N57-V59 VanDerWaalsContact C-N 3.29Å; N57-V59 PolarHBondContact O-N 2.69Å; N57-K60 WeakPolarHBondContact O-CG 3.2Å; N57-K60 PolarHBondContact O-N 2.96Å; N57-K60 VanDerWaalsContact OD1-CE 3.31Å; N57-K60 WeakPolarHBondContact OD1-CE 3.49Å; N57-K60 PolarHBondContact OD1-NZ 3.35Å; N57-I61 WeakPolarHBondContact O-CD1 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.3Å; N57-I61 WeakPolarHBondContact O-CG1 3.34Å; N57-I61 PolarHBondContact O-N 2.59Å; N57-I61 VanDerWaalsContact O-N 3.09Å; N57-D289 HydrophobicContact CB-CB 3.58Å; N57-D289 WeakPolarHBondContact CB-OD2 3.35Å; N57-D289 PolarHBondContact ND2-OD2 2.8Å; N57-C325 HydrophobicContact CB-CB 4.38Å
58S98.5Very high94.4Very high0 Ų026.5 Ų26.50%013%0.126CC..Hα-helixtrans-61.3-40178.1-56.20000112.3S54 T55 I61 A62 Y155 D289 G293S54-S58 PolarHBondContact O-N 3.45Å; S54-S58 VanDerWaalsContact O-N 3.08Å; S54-S58 PolarHBondContact O-OG 3.03Å; T55-S58 PolarHBondContact O-N 3.47Å; S58-I61 PolarHBondContact O-N 3.35Å; S58-A62 WeakPolarHBondContact O-CB 3.46Å; S58-A62 PolarHBondContact O-N 2.84Å; S58-Y155 WeakPolarHBondContact OG-CE1 3.37Å; S58-D289 WeakPolarHBondContact CA-O 3.35Å; S58-D289 WeakPolarHBondContact CB-O 3.23Å; S58-D289 WeakPolarHBondContact OG-CA 3.47Å; S58-D289 PolarHBondContact OG-O 3.29Å; S58-G293 WeakPolarHBondContact O-CA 3.33Å
59V97.3Very high94.9Very high12 Ų1226.4 Ų26.47%0.07313%0.133CC..Hα-helixtrans-64.6-45.2179.3161.80000112.2T55 Q56 N57 I61 A62 Q63 A73 F75 V97T55-V59 HydrophobicContact CG2-CG2 4.34Å; T55-V59 WeakPolarHBondContact O-CB 3.42Å; T55-V59 VanDerWaalsContact O-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.28Å; T55-V59 PolarHBondContact O-N 3.08Å; Q56-V59 PolarHBondContact O-N 2.98Å; N57-V59 VanDerWaalsContact C-N 3.29Å; N57-V59 PolarHBondContact O-N 2.69Å; V59-I61 VanDerWaalsContact C-N 3.31Å; V59-I61 PolarHBondContact O-N 2.76Å; V59-A62 PolarHBondContact O-N 3.42Å; V59-Q63 PolarHBondContact O-N 3.07Å; V59-A73 HydrophobicContact CG1-CB 3.68Å; V59-F75 HydrophobicContact CG1-CB 4.26Å; V59-F75 HydrophobicContact CG2-CD2 4.46Å; V59-V97 HydrophobicContact CG1-CB 4.47Å; V59-V97 HydrophobicContact CG1-CG1 3.6Å; V59-V97 HydrophobicContact CG1-CG2 3.98Å
60K96.4Very high95.4Very high14 Ų1427.2 Ų27.26%0.06114%0.14CC..Hα-helixtrans-66.4-33.7177.767.9-179.7-166.3-160.80112.2A51 Q56 N57 Q63 W64 A95 V97 C325 F327A51-K60 PolarHBondContact O-NZ 3.34Å; Q56-K60 WeakPolarHBondContact O-CG 3.27Å; Q56-K60 PolarHBondContact O-N 2.98Å; N57-K60 WeakPolarHBondContact O-CG 3.2Å; N57-K60 PolarHBondContact O-N 2.96Å; N57-K60 VanDerWaalsContact OD1-CE 3.31Å; N57-K60 WeakPolarHBondContact OD1-CE 3.49Å; N57-K60 PolarHBondContact OD1-NZ 3.35Å; K60-Q63 PolarHBondContact O-N 3.43Å; K60-W64 VanDerWaalsContact O-CB 3.3Å; K60-W64 WeakPolarHBondContact O-CB 3.5Å; K60-W64 PolarHBondContact O-N 2.81Å; K60-A95 HydrophobicContact CB-CB 3.98Å; K60-V97 HydrophobicContact CB-CG2 4.03Å; K60-C325 WeakPolarHBondContact CE-O 3.45Å; K60-C325 PolarHBondContact NZ-O 2.86Å; K60-F327 HydrophobicContact CB-CZ 4.46Å; K60-F327 HydrophobicContact CD-CE1 4.14Å; K60-F327 HydrophobicContact CG-CE1 3.98Å; K60-F327 HydrophobicContact CG-CZ 4.37Å
61I97.9Very high96Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-70.9-42.8177.1-69.8149.7000110.7N57 S58 V59 Q63 W64 M65 A290 A315 I319 C325 F327N57-I61 WeakPolarHBondContact O-CD1 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.3Å; N57-I61 WeakPolarHBondContact O-CG1 3.34Å; N57-I61 PolarHBondContact O-N 2.59Å; N57-I61 VanDerWaalsContact O-N 3.09Å; S58-I61 PolarHBondContact O-N 3.35Å; V59-I61 VanDerWaalsContact C-N 3.31Å; V59-I61 PolarHBondContact O-N 2.76Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.45Å; I61-W64 HydrophobicContact CG2-CE3 4.17Å; I61-W64 WeakPolarHBondContact O-CB 3.34Å; I61-W64 PolarHBondContact O-N 3.13Å; I61-M65 PolarHBondContact O-N 3.41Å; I61-A290 HydrophobicContact CD1-CB 3.8Å; I61-A315 HydrophobicContact CG2-CB 3.91Å; I61-I319 HydrophobicContact CD1-CG1 4.46Å; I61-C325 WeakPolarHBondContact CD1-SG 3.34Å; I61-F327 HydrophobicContact CG1-CD1 4.1Å; I61-F327 HydrophobicContact CG1-CE1 4.07Å
62A98.3Very high96.5Very high8 Ų832.6 Ų32.67%0.06617%0.167CC..Hα-helixtrans-58.2-45.8173.600000111S58 V59 M65 L66 G293 L296S58-A62 WeakPolarHBondContact O-CB 3.46Å; S58-A62 PolarHBondContact O-N 2.84Å; V59-A62 PolarHBondContact O-N 3.42Å; A62-M65 PolarHBondContact O-N 3.42Å; A62-L66 VanDerWaalsContact O-CG 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.14Å; A62-L66 PolarHBondContact O-N 2.96Å; A62-G293 WeakPolarHBondContact CA-O 3.43Å; A62-G293 WeakPolarHBondContact CB-O 3.36Å; A62-L296 HydrophobicContact CB-CB 4.21Å
63Q98Very high96.9Very high2 Ų233.4 Ų33.41%0.00917%0.173CC..Hα-helixtrans-65.3-38.4176.7-178.459.271.200112.8V59 K60 I61 L66 Q67 P69 A73 A95 H96 V97V59-Q63 PolarHBondContact O-N 3.07Å; K60-Q63 PolarHBondContact O-N 3.43Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.45Å; Q63-L66 PolarHBondContact O-N 3.31Å; Q63-Q67 PolarHBondContact O-N 2.78Å; Q63-P69 PolarHBondContact NE2-O 3.04Å; Q63-P69 VanDerWaalsContact NE2-O 3.07Å; Q63-A73 HydrophobicContact CB-CB 4.31Å; Q63-A95 VanDerWaalsContact CG-O 3.25Å; Q63-A95 WeakPolarHBondContact CG-O 3.27Å; Q63-H96 HydrophobicContact CG-CB 4.02Å; Q63-H96 WeakPolarHBondContact CG-O 3.5Å; Q63-H96 PolarHBondContact OE1-O 2.8Å; Q63-V97 HydrophobicContact CB-CG2 4.2Å; Q63-V97 HydrophobicContact CG-CG2 4.42Å
64W98Very high97.1Very high10 Ų1035.3 Ų35.34%0.03818%0.184CC..Hα-helixtrans-61.9-46.8173.9163.469.5000111.5K60 I61 L66 Q67 Y314 V318 F327 P328 P331K60-W64 VanDerWaalsContact O-CB 3.3Å; K60-W64 WeakPolarHBondContact O-CB 3.5Å; K60-W64 PolarHBondContact O-N 2.81Å; I61-W64 HydrophobicContact CG2-CE3 4.17Å; I61-W64 WeakPolarHBondContact O-CB 3.34Å; I61-W64 PolarHBondContact O-N 3.13Å; W64-L66 VanDerWaalsContact C-N 3.3Å; W64-L66 PolarHBondContact O-N 2.9Å; W64-Q67 WeakPolarHBondContact O-CG 3.43Å; W64-Q67 PolarHBondContact O-N 2.85Å; W64-Q67 PolarHBondContact O-NE2 3.26Å; W64-Y314 AromaticContact CH2-CE1 3.76Å; W64-Y314 HydrophobicContact CH2-CE1 3.76Å; W64-Y314 HydrophobicContact CZ3-CE1 4.22Å; W64-V318 HydrophobicContact CH2-CB 4.27Å; W64-V318 HydrophobicContact CH2-CG1 3.94Å; W64-V318 HydrophobicContact CH2-CG2 4.3Å; W64-V318 HydrophobicContact CZ2-CG1 4.39Å; W64-F327 HydrophobicContact CB-CD2 3.92Å; W64-F327 HydrophobicContact CB-CE1 4.27Å; W64-F327 HydrophobicContact CB-CE2 3.62Å; W64-F327 HydrophobicContact CB-CG 4.36Å; W64-F327 HydrophobicContact CB-CZ 3.81Å; W64-F327 AromaticContact CD1-CD2 3.27Å; W64-F327 AromaticContact CD1-CE2 3.64Å; W64-F327 HydrophobicContact CD2-CB 3.9Å; W64-F327 HydrophobicContact CD2-CD1 4.39Å; W64-F327 AromaticContact CD2-CD2 3.85Å; W64-F327 HydrophobicContact CD2-CD2 3.85Å; W64-F327 HydrophobicContact CD2-CE2 4.48Å; W64-F327 AromaticContact CD2-CG 3.79Å; W64-F327 HydrophobicContact CD2-CG 3.79Å; W64-F327 HydrophobicContact CE3-CB 4.24Å; W64-F327 HydrophobicContact CE3-CG 4.27Å; W64-F327 HydrophobicContact CG-CB 4.38Å; W64-F327 HydrophobicContact CG-CD1 4.38Å; W64-F327 AromaticContact CG-CD2 3.4Å; W64-F327 HydrophobicContact CG-CD2 3.4Å; W64-F327 AromaticContact CG-CE2 3.64Å; W64-F327 HydrophobicContact CG-CE2 3.64Å; W64-F327 AromaticContact CG-CG 3.8Å; W64-F327 HydrophobicContact CG-CG 3.8Å; W64-F327 HydrophobicContact CG-CZ 4.22Å; W64-F327 HydrophobicContact CH2-CB 4.28Å; W64-F327 HydrophobicContact CZ2-CB 3.92Å; W64-F327 HydrophobicContact CZ3-CB 4.42Å; W64-F327 AromaticContact NE1-CD2 3.62Å; W64-P328 HydrophobicContact CZ2-CG 4.04Å; W64-P328 PolarHBondContact NE1-O 2.91Å; W64-P331 HydrophobicContact CH2-CB 3.95Å; W64-P331 VanDerWaalsContact CZ2-CA 3.48Å; W64-P331 HydrophobicContact CZ2-CB 3.69Å; W64-P331 HydrophobicContact CZ3-CB 4.5Å
65M98.4Very high97.3Very high7 Ų734.5 Ų34.53%0.03418%0.178CC..Hα-helixtrans-65.7-35.4178-70.5-164.870.400112.1I61 A62 Q67 G294 F297 A311 Y314 A315 F333I61-M65 PolarHBondContact O-N 3.41Å; A62-M65 PolarHBondContact O-N 3.42Å; M65-Q67 VanDerWaalsContact C-N 3.33Å; M65-Q67 PolarHBondContact O-N 2.9Å; M65-G294 WeakPolarHBondContact SD-CA 3.22Å; M65-F297 VanDerWaalsContact C-CD2 3.44Å; M65-F297 VanDerWaalsContact C-CE2 3.49Å; M65-F297 HydrophobicContact CB-CB 3.8Å; M65-F297 HydrophobicContact CB-CD1 4.05Å; M65-F297 HydrophobicContact CB-CD2 3.41Å; M65-F297 VanDerWaalsContact CB-CD2 3.41Å; M65-F297 HydrophobicContact CB-CE2 3.94Å; M65-F297 HydrophobicContact CB-CG 3.47Å; M65-F297 VanDerWaalsContact CB-CG 3.47Å; M65-F297 HydrophobicContact CB-CZ 4.47Å; M65-F297 HydrophobicContact CE-CD1 3.69Å; M65-F297 HydrophobicContact CE-CE1 3.81Å; M65-F297 HydrophobicContact CE-CG 4.3Å; M65-F297 HydrophobicContact CE-CZ 4.48Å; M65-F297 HydrophobicContact CG-CG 4.46Å; M65-F297 VanDerWaalsContact O-CE2 3.25Å; M65-F297 WeakPolarHBondContact O-CE2 3.39Å; M65-F297 HydrophobicContact SD-CB 4.38Å; M65-F297 HydrophobicContact SD-CD1 4.15Å; M65-F297 HydrophobicContact SD-CG 4.3Å; M65-A311 HydrophobicContact CE-CB 4.17Å; M65-Y314 HydrophobicContact CE-CD1 3.6Å; M65-Y314 HydrophobicContact CE-CE1 4.03Å; M65-Y314 HydrophobicContact SD-CD1 4.25Å; M65-A315 HydrophobicContact SD-CB 3.91Å; M65-F333 HydrophobicContact CE-CB 3.82Å; M65-F333 HydrophobicContact CE-CD1 3.84Å; M65-F333 HydrophobicContact CE-CD2 4.16Å; M65-F333 HydrophobicContact CE-CE1 4.44Å; M65-F333 HydrophobicContact CE-CG 3.67Å
66L97.1Very high97.4Very high29 Ų2934.8 Ų34.815%0.15218%0.179CC..Hα-helixtrans-64.8-35.9175.3-75.7170.8000112.5A62 Q63 W64 K68 V72 F297 V300 Q301A62-L66 VanDerWaalsContact O-CG 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.14Å; A62-L66 PolarHBondContact O-N 2.96Å; Q63-L66 PolarHBondContact O-N 3.31Å; W64-L66 VanDerWaalsContact C-N 3.3Å; W64-L66 PolarHBondContact O-N 2.9Å; L66-K68 PolarHBondContact O-N 3.47Å; L66-V72 HydrophobicContact CD1-CB 3.78Å; L66-V72 HydrophobicContact CD1-CG1 3.56Å; L66-V72 HydrophobicContact CD1-CG2 4.27Å; L66-F297 HydrophobicContact CB-CD2 4.41Å; L66-F297 HydrophobicContact CD2-CD2 3.72Å; L66-F297 HydrophobicContact CD2-CE2 4.12Å; L66-F297 HydrophobicContact CG-CD2 3.82Å; L66-V300 HydrophobicContact CD1-CG2 4.37Å; L66-V300 HydrophobicContact CD2-CG2 4.23Å; L66-Q301 HydrophobicContact CD2-CG 4.26Å
67Q96.5Very high97.4Very high63 Ų6334.6 Ų34.629%0.29418%0.178SC..  trans59.4-65.9-171.5-63.3-78.6-68.500113.1Q63 W64 M65 H70 E329 P331Q63-Q67 PolarHBondContact O-N 2.78Å; W64-Q67 WeakPolarHBondContact O-CG 3.43Å; W64-Q67 PolarHBondContact O-N 2.85Å; W64-Q67 PolarHBondContact O-NE2 3.26Å; M65-Q67 VanDerWaalsContact C-N 3.33Å; M65-Q67 PolarHBondContact O-N 2.9Å; Q67-H70 PolarHBondContact O-CD2 2.74Å; Q67-E329 PolarHBondContact NE2-O 3.13Å; Q67-P331 HydrophobicContact CG-CG 4.08Å; Q67-P331 VanDerWaalsContact NE2-CD 3.26Å
68K93.6Very high97.5Very high167 Ų16734.3 Ų34.373%0.72618%0.177SC*.SBendtrans-131.8147.8177.5-68.4-174.2179.7-178.40111.3L66L66-K68 PolarHBondContact O-N 3.47Å
69P95.8Very high97.5Very high92 Ų9234.3 Ų34.360%0.59718%0.177SC*.SBendcis-67.7158.4-5.723.8-25.7000112.1Q63 V72Q63-P69 PolarHBondContact NE2-O 3.04Å; Q63-P69 VanDerWaalsContact NE2-O 3.07Å; P69-V72 HydrophobicContact CB-CG2 4.31Å; P69-V72 HydrophobicContact CG-CG2 3.59Å; P69-V72 VanDerWaalsContact O-CG2 3.25Å; P69-V72 WeakPolarHBondContact O-CG2 3.48Å
70H97Very high97.5Very high88 Ų8833.8 Ų33.841%0.40717%0.174SC..THydrogen-bonded Turntrans-72.9160.6171.5-64.6-166.4000108.6Q67 V72 H96Q67-H70 PolarHBondContact O-CD2 2.74Å; H70-V72 VanDerWaalsContact C-N 3.26Å; H70-V72 PolarHBondContact O-N 3.44Å; H70-H96 HydrophobicContact CB-CB 3.98Å; H70-H96 AromaticContact CE1-CD2 3.44Å; H70-H96 PolarHBondContact CE1-CD2 2.86Å; H70-H96 VanDerWaalsContact CE1-CD2 3.44Å; H70-H96 AromaticContact CE1-CE1 3.67Å; H70-H96 AromaticContact CE1-CG 3.74Å; H70-H96 AromaticContact CE1-ND1 3.87Å; H70-H96 AromaticContact CE1-NE2 3.37Å; H70-H96 PolarHBondContact CE1-NE2 3.47Å; H70-H96 AromaticContact CG-CG 3.81Å; H70-H96 AromaticContact ND1-CD2 3.65Å; H70-H96 AromaticContact ND1-CE1 3.81Å; H70-H96 AromaticContact ND1-CG 3.46Å; H70-H96 AromaticContact ND1-ND1 3.57Å; H70-H96 AromaticContact ND1-NE2 3.85Å; H70-H96 AromaticContact NE2-CD2 3.75Å; H70-H96 AromaticContact NE2-NE2 3.96Å
71K96.6Very high97.6Very high91 Ų9139.5 Ų39.540%0.39620%0.199SC..THydrogen-bonded Turntrans61.432.2175.1-59.9-166.2-176-1580113.5E93 H96 D98K71-E93 VanDerWaalsContact CE-OE1 3.29Å; K71-E93 WeakPolarHBondContact CE-OE1 3.26Å; K71-E93 IonicContact NZ-OE1 3.05Å; K71-E93 PolarHBondContact NZ-OE1 3.44Å; K71-E93 IonicContact NZ-OE2 2.59Å; K71-E93 PolarHBondContact NZ-OE2 2.8Å; K71-E93 VanDerWaalsContact NZ-OE2 3.07Å; K71-H96 WeakPolarHBondContact CA-O 3.4Å; K71-H96 PolarHBondContact N-O 3.32Å; K71-D98 HydrophobicContact CB-CB 3.87Å; K71-D98 HydrophobicContact CD-CB 4.44Å; K71-D98 HydrophobicContact CG-CB 4.2Å
72V97.3Very high97.5Very high66 Ų6641.3 Ų41.340%0.421%0.209SC..  trans-75.7-38.1171.2174.80000110.4L66 P69 H70L66-V72 HydrophobicContact CD1-CB 3.78Å; L66-V72 HydrophobicContact CD1-CG1 3.56Å; L66-V72 HydrophobicContact CD1-CG2 4.27Å; P69-V72 HydrophobicContact CB-CG2 4.31Å; P69-V72 HydrophobicContact CG-CG2 3.59Å; P69-V72 VanDerWaalsContact O-CG2 3.25Å; P69-V72 WeakPolarHBondContact O-CG2 3.48Å; H70-V72 VanDerWaalsContact C-N 3.26Å; H70-V72 PolarHBondContact O-N 3.44Å
73A97Very high97.2Very high17 Ų1746 Ų4614%0.1423%0.232CC..SBendtrans-97.6120-178.200000110.9V59 Q63 V97 D98V59-A73 HydrophobicContact CG1-CB 3.68Å; Q63-A73 HydrophobicContact CB-CB 4.31Å; A73-V97 WeakPolarHBondContact O-CG1 3.14Å; A73-D98 PolarHBondContact O-N 3.19Å
74T98.6Very high96.9Very high47 Ų4749 Ų4929%0.28825%0.246SC..EExtended strand (participates in β ladder)trans-92.9136.5176.9-53.60000110.9F76 D98 L147T74-F76 HydrophobicContact CG2-CD1 4.02Å; T74-F76 HydrophobicContact CG2-CE1 3.46Å; T74-F76 VanDerWaalsContact CG2-CE1 3.46Å; T74-F76 HydrophobicContact CG2-CZ 4.06Å; T74-D98 VanDerWaalsContact CA-O 3.31Å; T74-D98 WeakPolarHBondContact CA-O 3.27Å; T74-D98 WeakPolarHBondContact CG2-O 3.34Å; T74-L147 HydrophobicContact CG2-CB 4.24Å; T74-L147 HydrophobicContact CG2-CD1 4.24Å
75F98.8Very high96.8Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-125.2126.8175-175.5-89.5000111.9P4 T55 Q56 V59 V97 D98 A99 H100 Y101P4-F75 HydrophobicContact CB-CE1 3.91Å; P4-F75 HydrophobicContact CB-CZ 4.28Å; P4-F75 HydrophobicContact CG-CE1 4.33Å; T55-F75 HydrophobicContact CG2-CD2 4.34Å; T55-F75 HydrophobicContact CG2-CE2 4Å; Q56-F75 HydrophobicContact CB-CD2 3.95Å; Q56-F75 HydrophobicContact CB-CE1 4.38Å; Q56-F75 HydrophobicContact CB-CE2 3.54Å; Q56-F75 HydrophobicContact CB-CZ 3.78Å; Q56-F75 HydrophobicContact CG-CD1 4.47Å; Q56-F75 HydrophobicContact CG-CD2 4.25Å; Q56-F75 HydrophobicContact CG-CE1 4.49Å; Q56-F75 HydrophobicContact CG-CE2 4.24Å; Q56-F75 HydrophobicContact CG-CG 4.36Å; Q56-F75 HydrophobicContact CG-CZ 4.36Å; Q56-F75 VanDerWaalsContact OE1-CE1 3.26Å; V59-F75 HydrophobicContact CG1-CB 4.26Å; V59-F75 HydrophobicContact CG2-CD2 4.46Å; F75-V97 HydrophobicContact CB-CG1 3.82Å; F75-D98 PolarHBondContact N-O 3.45Å; F75-A99 HydrophobicContact CB-CB 4.4Å; F75-A99 CarbonylContact O-C 3.57Å; F75-A99 WeakPolarHBondContact O-CA 3.36Å; F75-H100 PolarHBondContact O-N 3.01Å; F75-Y101 HydrophobicContact CD1-CD1 4.37Å; F75-Y101 AromaticContact CD1-CE1 3.6Å; F75-Y101 HydrophobicContact CD1-CE1 3.6Å; F75-Y101 HydrophobicContact CE1-CD1 4.29Å; F75-Y101 AromaticContact CE1-CE1 3.59Å; F75-Y101 HydrophobicContact CE1-CE1 3.59Å
76F98.9Very high96.7Very high8 Ų854.1 Ų54.14%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-112.5143.9168.5-59.1-17.5000111.4M1 G2 T74 H100 Y133 H138 L139 N144 L147 V148M1-F76 CarbonylContact C-O 3.49Å; M1-F76 WeakPolarHBondContact CA-O 3.25Å; M1-F76 HydrophobicContact CB-CB 3.83Å; M1-F76 VanDerWaalsContact CB-O 3.31Å; M1-F76 WeakPolarHBondContact CB-O 3.39Å; M1-F76 HydrophobicContact CE-CB 4.28Å; G2-F76 PolarHBondContact N-O 3.26Å; T74-F76 HydrophobicContact CG2-CD1 4.02Å; T74-F76 HydrophobicContact CG2-CE1 3.46Å; T74-F76 VanDerWaalsContact CG2-CE1 3.46Å; T74-F76 HydrophobicContact CG2-CZ 4.06Å; F76-H100 WeakPolarHBondContact CA-O 3.26Å; F76-H100 HydrophobicContact CD1-CB 3.73Å; F76-H100 HydrophobicContact CE1-CB 3.66Å; F76-H100 AromaticContact CE1-CD2 3.89Å; F76-H100 AromaticContact CE1-CG 3.99Å; F76-Y133 HydrophobicContact CB-CE2 4.36Å; F76-H138 AromaticContact CD1-CE1 3.99Å; F76-H138 AromaticContact CG-CE1 3.82Å; F76-L139 HydrophobicContact CD2-CD1 3.95Å; F76-L139 HydrophobicContact CE2-CD1 4Å; F76-N144 HydrophobicContact CE2-CB 4.17Å; F76-N144 HydrophobicContact CZ-CB 3.98Å; F76-N144 WeakPolarHBondContact CZ-O 3.28Å; F76-L147 HydrophobicContact CE1-CD1 3.97Å; F76-L147 HydrophobicContact CZ-CB 4.06Å; F76-L147 HydrophobicContact CZ-CD1 4.01Å; F76-V148 HydrophobicContact CE2-CG2 3.72Å; F76-V148 HydrophobicContact CZ-CG2 4.43Å
77G98.6Very high96.5Very high0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans-172.2179.5176.900000111.4G2 Y101 Y102G2-G77 WeakPolarHBondContact O-CA 3.22Å; G77-Y101 CarbonylContact O-C 3.54Å; G77-Y101 WeakPolarHBondContact O-CA 3.41Å; G77-Y102 PolarHBondContact O-N 3.38Å
78C98.8Very high96.4Very high0 Ų052.3 Ų52.30%026%0.26CS..EExtended strand (participates in β ladder)trans-116.3134.4177.7-175.10000111.4P4 Y102 A129 Y133P4-C78 WeakPolarHBondContact CG-O 3.49Å; C78-Y102 VanDerWaalsContact CA-O 3.32Å; C78-Y102 WeakPolarHBondContact CA-O 3.34Å; C78-Y102 HydrophobicContact CB-CD1 4.05Å; C78-Y102 WeakPolarHBondContact SG-CD1 3.3Å; C78-Y102 PolarHBondContact SG-O 3.29Å; C78-A129 WeakPolarHBondContact CB-O 3.41Å; C78-A129 CarbonylContact O-C 3.59Å; C78-A129 PolarHBondContact SG-O 3.3Å; C78-Y133 HydrophobicContact CB-CD2 4.06Å; C78-Y133 HydrophobicContact CB-CG 4.5Å
79I98.6Very high96.6Very high0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-131.5161.4179.266.9179.7000110.6P4 L88 K89 Y101 Y102 E103 Q104 T109 A129P4-I79 HydrophobicContact CB-CG2 4.1Å; P4-I79 HydrophobicContact CG-CG2 3.62Å; I79-L88 HydrophobicContact CG2-CD1 4.02Å; I79-K89 HydrophobicContact CD1-CD 4.16Å; I79-K89 HydrophobicContact CD1-CG 4.05Å; I79-Y101 HydrophobicContact CD1-CD2 3.91Å; I79-Y101 HydrophobicContact CD1-CG 3.85Å; I79-Y101 HydrophobicContact CG1-CG 4.28Å; I79-Y101 HydrophobicContact CG2-CD1 3.85Å; I79-Y101 HydrophobicContact CG2-CE1 4.27Å; I79-Y101 HydrophobicContact CG2-CG 4.13Å; I79-Y102 PolarHBondContact N-O 3.36Å; I79-E103 HydrophobicContact CD1-CG 4Å; I79-E103 HydrophobicContact CG1-CG 3.82Å; I79-Q104 PolarHBondContact O-N 2.64Å; I79-T109 HydrophobicContact CB-CG2 4.37Å; I79-T109 HydrophobicContact CG2-CG2 4.41Å; I79-A129 VanDerWaalsContact C-CB 3.46Å
80G98.3Very high96.6Very high1 Ų149.9 Ų49.91%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-79.1152.917000000111.1D82 Q104 E107 T109G80-D82 PolarHBondContact O-N 3.21Å; G80-Q104 CarbonylContact C-O 3.53Å; G80-Q104 WeakPolarHBondContact CA-O 3.32Å; G80-E107 WeakPolarHBondContact CA-O 3.43Å; G80-T109 WeakPolarHBondContact CA-OG1 3.3Å; G80-T109 PolarHBondContact N-OG1 3.32Å; G80-T109 PolarHBondContact O-OG1 2.74Å
81K97.8Very high96.4Very high133 Ų13349 Ų4958%0.57824%0.235SC*.SBendtrans-7965.8168.2-71.6-172-174.2177.20110.4E103 Q104 T105K81-E103 HydrophobicContact CD-CB 4.4Å; K81-E103 WeakPolarHBondContact CE-O 3.47Å; K81-E103 HydrophobicContact CG-CB 3.79Å; K81-Q104 PolarHBondContact N-O 3.16Å; K81-T105 HydrophobicContact CB-CG2 4.11Å; K81-T105 HydrophobicContact CD-CG2 3.8Å; K81-T105 HydrophobicContact CG-CG2 4.3Å
82D95.3Very high96.3Very high39 Ų3944.8 Ų44.821%0.20922%0.217CC..SBendtrans-136.4179.8-177.259.928.3000111.9G80 F84 G85 K86 P108 T109G80-D82 PolarHBondContact O-N 3.21Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 3.17Å; D82-F84 PolarHBondContact OD1-N 3Å; D82-G85 PolarHBondContact O-N 3.33Å; D82-G85 PolarHBondContact OD1-N 3.2Å; D82-K86 WeakPolarHBondContact O-CG 3.1Å; D82-K86 PolarHBondContact O-N 3.45Å; D82-K86 VanDerWaalsContact O-N 3.08Å; D82-P108 VanDerWaalsContact OD2-CA 3.27Å; D82-P108 WeakPolarHBondContact OD2-CA 3.42Å; D82-T109 WeakPolarHBondContact OD1-CB 3.26Å; D82-T109 PolarHBondContact OD1-OG1 2.98Å; D82-T109 PolarHBondContact OD2-N 2.79Å; D82-T109 PolarHBondContact OD2-OG1 3.08Å
83D91.8Very high96.2Very high106 Ų10646.5 Ų46.557%0.56722%0.221SC*.Hα-helixtrans-68.3-30.7-177.6-69.2-25.4000112.7K86 I87D83-K86 WeakPolarHBondContact O-CB 2.97Å; D83-K86 PolarHBondContact O-N 2.88Å; D83-K86 IonicContact OD1-NZ 3.36Å; D83-K86 PolarHBondContact OD1-NZ 3.41Å; D83-I87 WeakPolarHBondContact O-CG1 3.42Å; D83-I87 PolarHBondContact O-N 3.24Å
84F92.9Very high96Very high65 Ų6550 Ų5029%0.28523%0.234SC..Hα-helixtrans-67.5-39.1173.5-70.9-14.4000111.9L6 I8 V42 Y49 D82 K86 I87 L88 T109 T111L6-F84 HydrophobicContact CD2-CB 3.69Å; L6-F84 HydrophobicContact CD2-CD1 3.35Å; L6-F84 HydrophobicContact CD2-CD2 4.12Å; L6-F84 HydrophobicContact CD2-CE1 3.93Å; L6-F84 HydrophobicContact CD2-CG 3.45Å; L6-F84 VanDerWaalsContact CD2-CG 3.45Å; I8-F84 HydrophobicContact CD1-CE2 4.43Å; I8-F84 HydrophobicContact CD1-CZ 4.37Å; V42-F84 HydrophobicContact CG1-CZ 4.5Å; Y49-F84 HydrophobicContact CE1-CE1 4.32Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 3.17Å; D82-F84 PolarHBondContact OD1-N 3Å; F84-K86 VanDerWaalsContact C-N 3.32Å; F84-K86 PolarHBondContact O-N 2.97Å; F84-I87 HydrophobicContact CD1-CD1 4.25Å; F84-I87 PolarHBondContact O-N 2.85Å; F84-L88 PolarHBondContact O-N 3.18Å; F84-T109 HydrophobicContact CB-CG2 4.07Å; F84-T111 HydrophobicContact CD2-CG2 3.86Å; F84-T111 HydrophobicContact CE2-CG2 4.02Å
85G96.3Very high95.8Very high0 Ų048.7 Ų48.70%023%0.228CC..Hα-helixtrans-63.4-37.8172.700000112D82 L88 K89 T109D82-G85 PolarHBondContact O-N 3.33Å; D82-G85 PolarHBondContact OD1-N 3.2Å; G85-L88 PolarHBondContact O-N 2.84Å; G85-K89 WeakPolarHBondContact O-CG 3.48Å; G85-K89 PolarHBondContact O-N 2.97Å; G85-T109 VanDerWaalsContact CA-OG1 3.31Å; G85-T109 WeakPolarHBondContact CA-OG1 3.45Å; G85-T109 PolarHBondContact N-OG1 3.13Å; G85-T109 VanDerWaalsContact N-OG1 3.16Å
86K96.3Very high95.7Very high124 Ų12452.1 Ų52.154%0.53924%0.244SC..Hα-helixtrans-64.3-41.9171.7-65.5172-162.2159.20112D82 D83 F84 K89 K90D82-K86 WeakPolarHBondContact O-CG 3.1Å; D82-K86 PolarHBondContact O-N 3.45Å; D82-K86 VanDerWaalsContact O-N 3.08Å; D83-K86 WeakPolarHBondContact O-CB 2.97Å; D83-K86 PolarHBondContact O-N 2.88Å; D83-K86 IonicContact OD1-NZ 3.36Å; D83-K86 PolarHBondContact OD1-NZ 3.41Å; F84-K86 VanDerWaalsContact C-N 3.32Å; F84-K86 PolarHBondContact O-N 2.97Å; K86-K89 PolarHBondContact O-N 3.01Å; K86-K90 PolarHBondContact O-N 2.75Å
87I92.7Very high95.6Very high55 Ų5551.9 Ų51.928%0.28224%0.243SC..Hα-helixtrans-63.4-45.3176.6-68.3166.8000110.6L6 D83 F84 K89 K90 K91L6-I87 HydrophobicContact CD1-CB 4.4Å; L6-I87 HydrophobicContact CD1-CG2 3.71Å; D83-I87 WeakPolarHBondContact O-CG1 3.42Å; D83-I87 PolarHBondContact O-N 3.24Å; F84-I87 HydrophobicContact CD1-CD1 4.25Å; F84-I87 PolarHBondContact O-N 2.85Å; I87-K89 PolarHBondContact O-N 3.34Å; I87-K90 PolarHBondContact O-N 3.43Å; I87-K91 HydrophobicContact CG2-CG 4.15Å; I87-K91 WeakPolarHBondContact O-CB 3.4Å; I87-K91 WeakPolarHBondContact O-CG 3.32Å; I87-K91 PolarHBondContact O-N 2.75Å
88L94.8Very high95.6Very high0 Ų053.3 Ų53.30%025%0.251CS..Hα-helixtrans-57.9-46.9176.6-79.2-177.7000112.3P4 L5 L6 A51 I79 F84 G85 K90 K91 A92 T109P4-L88 HydrophobicContact CB-CD1 4.28Å; L5-L88 WeakPolarHBondContact O-CD2 3.47Å; L6-L88 HydrophobicContact CB-CD1 4.47Å; L6-L88 HydrophobicContact CB-CD2 4.16Å; L6-L88 HydrophobicContact CB-CG 4.19Å; L6-L88 HydrophobicContact CD1-CD2 3.95Å; L6-L88 HydrophobicContact CD1-CG 4.25Å; A51-L88 HydrophobicContact CB-CD2 4.08Å; I79-L88 HydrophobicContact CG2-CD1 4.02Å; F84-L88 PolarHBondContact O-N 3.18Å; G85-L88 PolarHBondContact O-N 2.84Å; L88-K90 PolarHBondContact O-N 3.24Å; L88-K91 PolarHBondContact O-N 3.36Å; L88-A92 WeakPolarHBondContact O-CB 3.46Å; L88-A92 PolarHBondContact O-N 2.82Å; L88-T109 HydrophobicContact CD1-CG2 3.38Å; L88-T109 HydrophobicContact CG-CG2 4.3Å
89K96.8Very high95.5Very high70 Ų7054.6 Ų54.630%0.30426%0.262SS..Hα-helixtrans-57.6-47.6175.5-77.2-175-74.8-171.60112I79 G85 K86 I87 K91 A92 E93 Y101 E103I79-K89 HydrophobicContact CD1-CD 4.16Å; I79-K89 HydrophobicContact CD1-CG 4.05Å; G85-K89 WeakPolarHBondContact O-CG 3.48Å; G85-K89 PolarHBondContact O-N 2.97Å; K86-K89 PolarHBondContact O-N 3.01Å; I87-K89 PolarHBondContact O-N 3.34Å; K89-K91 PolarHBondContact O-N 2.8Å; K89-A92 PolarHBondContact O-N 2.93Å; K89-E93 PolarHBondContact O-N 3.28Å; K89-Y101 HydrophobicContact CD-CD2 4.39Å; K89-Y101 HydrophobicContact CG-CD2 3.67Å; K89-Y101 HydrophobicContact CG-CE2 3.82Å; K89-E103 IonicContact NZ-OE1 3.2Å; K89-E103 PolarHBondContact NZ-OE1 3.46Å; K89-E103 IonicContact NZ-OE2 2.63Å; K89-E103 PolarHBondContact NZ-OE2 2.79Å
90K96.1Very high95.5Very high138 Ų13857.4 Ų57.460%0.628%0.275SS*.Hα-helixtrans-60.4-45.4177.8-174.7-179.1179.5-170.30111.5K86 I87 L88 E93 E94K86-K90 PolarHBondContact O-N 2.75Å; I87-K90 PolarHBondContact O-N 3.43Å; L88-K90 PolarHBondContact O-N 3.24Å; K90-E93 PolarHBondContact O-N 2.91Å; K90-E94 WeakPolarHBondContact CE-OE1 3.31Å; K90-E94 IonicContact NZ-OE1 2.92Å; K90-E94 WeakPolarHBondContact O-CB 3.29Å; K90-E94 WeakPolarHBondContact O-CG 3.09Å; K90-E94 PolarHBondContact O-N 3.35Å
91K92.5Very high95.6Very high69 Ų6958.4 Ų58.430%0.328%0.278SS..Hα-helixtrans-67.7-34.7-179.5-72-74.1165.2-155.40112.9A51 I87 L88 K89 E94 A95A51-K91 HydrophobicContact CB-CB 3.53Å; I87-K91 HydrophobicContact CG2-CG 4.15Å; I87-K91 WeakPolarHBondContact O-CB 3.4Å; I87-K91 WeakPolarHBondContact O-CG 3.32Å; I87-K91 PolarHBondContact O-N 2.75Å; L88-K91 PolarHBondContact O-N 3.36Å; K89-K91 PolarHBondContact O-N 2.8Å; K91-E94 WeakPolarHBondContact CD-OE2 2.98Å; K91-E94 WeakPolarHBondContact CE-OE2 3.47Å; K91-E94 IonicContact NZ-OE2 2.66Å; K91-E94 PolarHBondContact NZ-OE2 3.17Å; K91-A95 WeakPolarHBondContact O-CB 3.46Å; K91-A95 PolarHBondContact O-N 2.91Å; K91-A95 VanDerWaalsContact O-N 3.09Å
92A93.9Very high95.6Very high3 Ų353.8 Ų53.83%0.02526%0.257CS..Hα-helixtrans-67.1-41.8173.300000112.2L88 K89 A95 H96 V97 A99L88-A92 WeakPolarHBondContact O-CB 3.46Å; L88-A92 PolarHBondContact O-N 2.82Å; K89-A92 PolarHBondContact O-N 2.93Å; A92-A95 CarbonylContact O-C 3.58Å; A92-A95 PolarHBondContact O-N 2.87Å; A92-H96 PolarHBondContact O-N 2.87Å; A92-H96 VanDerWaalsContact O-N 3.17Å; A92-V97 PolarHBondContact O-N 3.47Å; A92-A99 HydrophobicContact CB-CB 3.74Å
93E95.6Very high95.7Very high101 Ų10155.2 Ų55.247%0.47226%0.263SS..Hα-helixtrans-67-40.1175.9-171.174.2-153.600111.9K71 K89 K90 A95 H96K71-E93 VanDerWaalsContact CE-OE1 3.29Å; K71-E93 WeakPolarHBondContact CE-OE1 3.26Å; K71-E93 IonicContact NZ-OE1 3.05Å; K71-E93 PolarHBondContact NZ-OE1 3.44Å; K71-E93 IonicContact NZ-OE2 2.59Å; K71-E93 PolarHBondContact NZ-OE2 2.8Å; K71-E93 VanDerWaalsContact NZ-OE2 3.07Å; K89-E93 PolarHBondContact O-N 3.28Å; K90-E93 PolarHBondContact O-N 2.91Å; E93-A95 PolarHBondContact O-N 3.35Å; E93-H96 WeakPolarHBondContact O-CA 3.23Å; E93-H96 PolarHBondContact O-N 3.23Å; E93-H96 PolarHBondContact O-ND1 3.47Å
94E93.6Very high96Very high91 Ų9150.6 Ų50.643%0.42524%0.238SC..Hα-helixtrans-58.9-34.6171.8-76.5173.6-172.700111.8K90 K91 H96K90-E94 WeakPolarHBondContact CE-OE1 3.31Å; K90-E94 IonicContact NZ-OE1 2.92Å; K90-E94 WeakPolarHBondContact O-CB 3.29Å; K90-E94 WeakPolarHBondContact O-CG 3.09Å; K90-E94 PolarHBondContact O-N 3.35Å; K91-E94 WeakPolarHBondContact CD-OE2 2.98Å; K91-E94 WeakPolarHBondContact CE-OE2 3.47Å; K91-E94 IonicContact NZ-OE2 2.66Å; K91-E94 PolarHBondContact NZ-OE2 3.17Å; E94-H96 PolarHBondContact O-N 3.07Å
95A93.5Very high96.2Very high19 Ų1953.1 Ų53.116%0.15726%0.259CS..THydrogen-bonded Turntrans-83.44.6173.300000113.7K60 Q63 K91 A92 E93 V97K60-A95 HydrophobicContact CB-CB 3.98Å; Q63-A95 VanDerWaalsContact CG-O 3.25Å; Q63-A95 WeakPolarHBondContact CG-O 3.27Å; K91-A95 WeakPolarHBondContact O-CB 3.46Å; K91-A95 PolarHBondContact O-N 2.91Å; K91-A95 VanDerWaalsContact O-N 3.09Å; A92-A95 CarbonylContact O-C 3.58Å; A92-A95 PolarHBondContact O-N 2.87Å; E93-A95 PolarHBondContact O-N 3.35Å; A95-V97 HydrophobicContact CB-CG2 4.23Å; A95-V97 PolarHBondContact O-N 2.89Å
96H96.6Very high96.3Very high72 Ų7260 Ų6033%0.33329%0.291SS..THydrogen-bonded Turntrans60.123.6178.8-53.6-34.2000115Q63 H70 K71 A92 E93 E94Q63-H96 HydrophobicContact CG-CB 4.02Å; Q63-H96 WeakPolarHBondContact CG-O 3.5Å; Q63-H96 PolarHBondContact OE1-O 2.8Å; H70-H96 HydrophobicContact CB-CB 3.98Å; H70-H96 AromaticContact CE1-CD2 3.44Å; H70-H96 PolarHBondContact CE1-CD2 2.86Å; H70-H96 VanDerWaalsContact CE1-CD2 3.44Å; H70-H96 AromaticContact CE1-CE1 3.67Å; H70-H96 AromaticContact CE1-CG 3.74Å; H70-H96 AromaticContact CE1-ND1 3.87Å; H70-H96 AromaticContact CE1-NE2 3.37Å; H70-H96 PolarHBondContact CE1-NE2 3.47Å; H70-H96 AromaticContact CG-CG 3.81Å; H70-H96 AromaticContact ND1-CD2 3.65Å; H70-H96 AromaticContact ND1-CE1 3.81Å; H70-H96 AromaticContact ND1-CG 3.46Å; H70-H96 AromaticContact ND1-ND1 3.57Å; H70-H96 AromaticContact ND1-NE2 3.85Å; H70-H96 AromaticContact NE2-CD2 3.75Å; H70-H96 AromaticContact NE2-NE2 3.96Å; K71-H96 WeakPolarHBondContact CA-O 3.4Å; K71-H96 PolarHBondContact N-O 3.32Å; A92-H96 PolarHBondContact O-N 2.87Å; A92-H96 VanDerWaalsContact O-N 3.17Å; E93-H96 WeakPolarHBondContact O-CA 3.23Å; E93-H96 PolarHBondContact O-N 3.23Å; E93-H96 PolarHBondContact O-ND1 3.47Å; E94-H96 PolarHBondContact O-N 3.07Å
97V97.1Very high96.3Very high3 Ų358.5 Ų58.52%0.01829%0.286CS..  trans-81.2139.8176.2174.90000109.7V59 K60 Q63 A73 F75 A92 A95 A99V59-V97 HydrophobicContact CG1-CB 4.47Å; V59-V97 HydrophobicContact CG1-CG1 3.6Å; V59-V97 HydrophobicContact CG1-CG2 3.98Å; K60-V97 HydrophobicContact CB-CG2 4.03Å; Q63-V97 HydrophobicContact CB-CG2 4.2Å; Q63-V97 HydrophobicContact CG-CG2 4.42Å; A73-V97 WeakPolarHBondContact O-CG1 3.14Å; F75-V97 HydrophobicContact CB-CG1 3.82Å; A92-V97 PolarHBondContact O-N 3.47Å; A95-V97 HydrophobicContact CB-CG2 4.23Å; A95-V97 PolarHBondContact O-N 2.89Å; V97-A99 VanDerWaalsContact C-N 3.3Å; V97-A99 HydrophobicContact CG1-CB 4.27Å; V97-A99 PolarHBondContact O-N 2.8Å
98D98.1Very high96.4Very high30 Ų3059 Ų5916%0.1629%0.293CS..EExtended strand (participates in β ladder)trans-82.476.2172.4-166.236.3000110.2K71 A73 T74 F75 H100K71-D98 HydrophobicContact CB-CB 3.87Å; K71-D98 HydrophobicContact CD-CB 4.44Å; K71-D98 HydrophobicContact CG-CB 4.2Å; A73-D98 PolarHBondContact O-N 3.19Å; T74-D98 VanDerWaalsContact CA-O 3.31Å; T74-D98 WeakPolarHBondContact CA-O 3.27Å; T74-D98 WeakPolarHBondContact CG2-O 3.34Å; F75-D98 PolarHBondContact N-O 3.45Å; D98-H100 PolarHBondContact O-CD2 3.47Å; D98-H100 IonicContact OD1-CD2 2.66Å; D98-H100 IonicContact OD1-CE1 3.88Å; D98-H100 IonicContact OD1-NE2 2.65Å; D98-H100 PolarHBondContact OD1-NE2 3.08Å; D98-H100 IonicContact OD2-CD2 3.84Å; D98-H100 IonicContact OD2-NE2 3.95Å; D98-H100 PolarHBondContact OD2-NE2 3.07Å
99A98.1Very high96.5Very high28 Ų2859.2 Ų59.223%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-89.2123.8-174.500000112.1F75 A92 V97 Y101F75-A99 HydrophobicContact CB-CB 4.4Å; F75-A99 CarbonylContact O-C 3.57Å; F75-A99 WeakPolarHBondContact O-CA 3.36Å; A92-A99 HydrophobicContact CB-CB 3.74Å; V97-A99 VanDerWaalsContact C-N 3.3Å; V97-A99 HydrophobicContact CG1-CB 4.27Å; V97-A99 PolarHBondContact O-N 2.8Å; A99-Y101 HydrophobicContact CB-CD2 4.36Å; A99-Y101 HydrophobicContact CB-CE2 3.61Å
100H98.5Very high96.5Very high58 Ų5855.9 Ų55.927%0.26928%0.279SS..EExtended strand (participates in β ladder)trans-121.9108.4174.8-56.7-100.5000109F75 F76 D98 H138 L147F75-H100 PolarHBondContact O-N 3.01Å; F76-H100 WeakPolarHBondContact CA-O 3.26Å; F76-H100 HydrophobicContact CD1-CB 3.73Å; F76-H100 HydrophobicContact CE1-CB 3.66Å; F76-H100 AromaticContact CE1-CD2 3.89Å; F76-H100 AromaticContact CE1-CG 3.99Å; D98-H100 PolarHBondContact O-CD2 3.47Å; D98-H100 IonicContact OD1-CD2 2.66Å; D98-H100 IonicContact OD1-CE1 3.88Å; D98-H100 IonicContact OD1-NE2 2.65Å; D98-H100 PolarHBondContact OD1-NE2 3.08Å; D98-H100 IonicContact OD2-CD2 3.84Å; D98-H100 IonicContact OD2-NE2 3.95Å; D98-H100 PolarHBondContact OD2-NE2 3.07Å; H100-H138 PolarHBondContact O-CE1 3.42Å; H100-H138 PolarHBondContact O-NE2 2.97Å; H100-L147 VanDerWaalsContact NE2-CD1 3.35Å; H100-L147 WeakPolarHBondContact NE2-CD1 3.37Å
101Y98.6Very high96.4Very high22 Ų2249.5 Ų49.59%0.08625%0.252CS..EExtended strand (participates in β ladder)trans-102.3140.6-175.4-59.9-73.7000112P4 Q56 F75 G77 I79 K89 A99 E103P4-Y101 HydrophobicContact CB-CD1 4.27Å; P4-Y101 HydrophobicContact CB-CE1 3.67Å; P4-Y101 HydrophobicContact CG-CD1 4.11Å; P4-Y101 HydrophobicContact CG-CE1 4.02Å; Q56-Y101 VanDerWaalsContact CD-OH 3.32Å; Q56-Y101 PolarHBondContact NE2-OH 2.86Å; Q56-Y101 PolarHBondContact OE1-OH 2.95Å; F75-Y101 HydrophobicContact CD1-CD1 4.37Å; F75-Y101 AromaticContact CD1-CE1 3.6Å; F75-Y101 HydrophobicContact CD1-CE1 3.6Å; F75-Y101 HydrophobicContact CE1-CD1 4.29Å; F75-Y101 AromaticContact CE1-CE1 3.59Å; F75-Y101 HydrophobicContact CE1-CE1 3.59Å; G77-Y101 CarbonylContact O-C 3.54Å; G77-Y101 WeakPolarHBondContact O-CA 3.41Å; I79-Y101 HydrophobicContact CD1-CD2 3.91Å; I79-Y101 HydrophobicContact CD1-CG 3.85Å; I79-Y101 HydrophobicContact CG1-CG 4.28Å; I79-Y101 HydrophobicContact CG2-CD1 3.85Å; I79-Y101 HydrophobicContact CG2-CE1 4.27Å; I79-Y101 HydrophobicContact CG2-CG 4.13Å; K89-Y101 HydrophobicContact CD-CD2 4.39Å; K89-Y101 HydrophobicContact CG-CD2 3.67Å; K89-Y101 HydrophobicContact CG-CE2 3.82Å; A99-Y101 HydrophobicContact CB-CD2 4.36Å; A99-Y101 HydrophobicContact CB-CE2 3.61Å; Y101-E103 PolarHBondContact O-N 3.16Å
102Y98.5Very high96.4Very high36 Ų3646.9 Ų46.914%0.14124%0.242CC..EExtended strand (participates in β ladder)trans-74.2110.6161.5174.7-139.4000109.3G77 C78 I79 Q104 C132 K134 K137 H138G77-Y102 PolarHBondContact O-N 3.38Å; C78-Y102 VanDerWaalsContact CA-O 3.32Å; C78-Y102 WeakPolarHBondContact CA-O 3.34Å; C78-Y102 HydrophobicContact CB-CD1 4.05Å; C78-Y102 WeakPolarHBondContact SG-CD1 3.3Å; C78-Y102 PolarHBondContact SG-O 3.29Å; I79-Y102 PolarHBondContact N-O 3.36Å; Y102-Q104 HydrophobicContact CE1-CB 4.34Å; Y102-Q104 HydrophobicContact CE1-CG 4.32Å; Y102-Q104 HydrophobicContact CE2-CB 4.41Å; Y102-C132 VanDerWaalsContact CE1-O 3.3Å; Y102-C132 WeakPolarHBondContact CE1-O 3.33Å; Y102-K134 HydrophobicContact CE1-CB 4.28Å; Y102-K137 HydrophobicContact CE2-CB 4.36Å; Y102-H138 HydrophobicContact CG-CB 4.4Å; Y102-H138 PolarHBondContact N-NE2 2.69Å
103E98.5Very high96.3Very high69 Ų6946.7 Ų46.732%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-97.5126.7179.4-62.4-169.7-131.500112I79 K81 K89 Y101I79-E103 HydrophobicContact CD1-CG 4Å; I79-E103 HydrophobicContact CG1-CG 3.82Å; K81-E103 HydrophobicContact CD-CB 4.4Å; K81-E103 WeakPolarHBondContact CE-O 3.47Å; K81-E103 HydrophobicContact CG-CB 3.79Å; K89-E103 IonicContact NZ-OE1 3.2Å; K89-E103 PolarHBondContact NZ-OE1 3.46Å; K89-E103 IonicContact NZ-OE2 2.63Å; K89-E103 PolarHBondContact NZ-OE2 2.79Å; Y101-E103 PolarHBondContact O-N 3.16Å
104Q97.9Very high96.1Very high10 Ų1042 Ų425%0.04722%0.219CC..EExtended strand (participates in β ladder)trans-134.3169-179.756.96927.700112.2I79 G80 K81 Y102 E107 C132I79-Q104 PolarHBondContact O-N 2.64Å; G80-Q104 CarbonylContact C-O 3.53Å; G80-Q104 WeakPolarHBondContact CA-O 3.32Å; K81-Q104 PolarHBondContact N-O 3.16Å; Y102-Q104 HydrophobicContact CE1-CB 4.34Å; Y102-Q104 HydrophobicContact CE1-CG 4.32Å; Y102-Q104 HydrophobicContact CE2-CB 4.41Å; Q104-E107 PolarHBondContact NE2-O 2.74Å; Q104-C132 HydrophobicContact CG-CB 4.28Å
105T97.3Very high96.1Very high117 Ų11737.7 Ų37.772%0.71820%0.199SC*.SBendtrans-116.9-2-174.754.70000114.8K81K81-T105 HydrophobicContact CB-CG2 4.11Å; K81-T105 HydrophobicContact CD-CG2 3.8Å; K81-T105 HydrophobicContact CG-CG2 4.3Å
106E96.3Very high95.8Very high144 Ų14438.1 Ų38.167%0.67320%0.199SC*.SBendtrans-78-43.1-178.1-66.2172.9-173.800111.5
107E96.8Very high95.5Very high93 Ų9335.6 Ų35.644%0.43519%0.188SC..SBendtrans-122.1144.5-177.1-69.9-67.5160.800111.4G80 Q104 A129 C132G80-E107 WeakPolarHBondContact CA-O 3.43Å; Q104-E107 PolarHBondContact NE2-O 2.74Å; E107-A129 HydrophobicContact CB-CB 4.41Å; E107-C132 VanDerWaalsContact CG-SG 3.58Å
108P95.4Very high94.8Very high67 Ų6738.6 Ų38.644%0.43522%0.219SC..PPolyproline II helixtrans-70.2159.5174.331.4-34.5000111D82 G110 A128 A129D82-P108 VanDerWaalsContact OD2-CA 3.27Å; D82-P108 WeakPolarHBondContact OD2-CA 3.42Å; P108-G110 PolarHBondContact O-N 3.21Å; P108-A128 HydrophobicContact CG-CB 4.11Å; P108-A128 WeakPolarHBondContact O-CB 3.44Å; P108-A129 WeakPolarHBondContact O-CB 3.22Å; P108-A129 PolarHBondContact O-N 2.94Å
109T96.9Very high93.8Very high3 Ų344.6 Ų44.62%0.01825%0.252CS..PPolyproline II helixtrans-54.9134.3173.9-66.10000111.1I79 G80 D82 F84 G85 L88I79-T109 HydrophobicContact CB-CG2 4.37Å; I79-T109 HydrophobicContact CG2-CG2 4.41Å; G80-T109 WeakPolarHBondContact CA-OG1 3.3Å; G80-T109 PolarHBondContact N-OG1 3.32Å; G80-T109 PolarHBondContact O-OG1 2.74Å; D82-T109 WeakPolarHBondContact OD1-CB 3.26Å; D82-T109 PolarHBondContact OD1-OG1 2.98Å; D82-T109 PolarHBondContact OD2-N 2.79Å; D82-T109 PolarHBondContact OD2-OG1 3.08Å; F84-T109 HydrophobicContact CB-CG2 4.07Å; G85-T109 VanDerWaalsContact CA-OG1 3.31Å; G85-T109 WeakPolarHBondContact CA-OG1 3.45Å; G85-T109 PolarHBondContact N-OG1 3.13Å; G85-T109 VanDerWaalsContact N-OG1 3.16Å; L88-T109 HydrophobicContact CD1-CG2 3.38Å; L88-T109 HydrophobicContact CG-CG2 4.3Å
110G96.3Very high93Very high0 Ų046 Ų460%026%0.255CS..PPolyproline II helixtrans-60.6147.4177.600000112.4L5 L6 P108 N126 L127L5-G110 WeakPolarHBondContact CA-O 3.46Å; L6-G110 PolarHBondContact N-O 3.25Å; P108-G110 PolarHBondContact O-N 3.21Å; G110-N126 CarbonylContact C-O 3.59Å; G110-N126 WeakPolarHBondContact CA-O 3.16Å; G110-L127 WeakPolarHBondContact CA-O 3.4Å
111T94.4Very high92.2Very high5 Ų544.2 Ų44.23%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-134.4149.2-175.243.70000110.4L6 I8 F38 F84 A125 N126L6-T111 HydrophobicContact CB-CG2 4.25Å; L6-T111 CarbonylContact O-C 3.59Å; L6-T111 VanDerWaalsContact O-CA 3.3Å; L6-T111 WeakPolarHBondContact O-CA 3.33Å; I8-T111 HydrophobicContact CD1-CG2 3.83Å; F38-T111 VanDerWaalsContact CD1-OG1 3.26Å; F38-T111 WeakPolarHBondContact CD1-OG1 3.05Å; F38-T111 WeakPolarHBondContact CE1-OG1 3.3Å; F84-T111 HydrophobicContact CD2-CG2 3.86Å; F84-T111 HydrophobicContact CE2-CG2 4.02Å; T111-A125 CarbonylContact O-C 3.6Å; T111-N126 PolarHBondContact N-O 3.05Å; T111-N126 PolarHBondContact O-N 3.47Å
112C92.9Very high91.7Very high13 Ų1343.1 Ų43.19%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-127.1114.9169.9-172.80000108.4L5 L6 D7 I8 V124L5-C112 HydrophobicContact CB-CB 4.36Å; L5-C112 HydrophobicContact CD1-CB 4.22Å; L6-C112 PolarHBondContact O-N 3.41Å; D7-C112 CarbonylContact C-O 3.55Å; D7-C112 WeakPolarHBondContact CA-O 3.16Å; D7-C112 VanDerWaalsContact OD1-CB 3.28Å; D7-C112 WeakPolarHBondContact OD1-CB 3.41Å; I8-C112 PolarHBondContact N-O 2.83Å; C112-V124 CarbonylContact C-O 3.14Å; C112-V124 WeakPolarHBondContact CA-O 3.41Å
113A92.4Very high91.2Very high0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-85.8122.8177.800000109.6I8 L37 F38 I41 L123 V124I8-A113 WeakPolarHBondContact O-CA 3.46Å; L37-A113 HydrophobicContact CD2-CB 3.19Å; F38-A113 HydrophobicContact CD1-CB 4.02Å; F38-A113 HydrophobicContact CE1-CB 3.68Å; F38-A113 HydrophobicContact CZ-CB 4.39Å; I41-A113 HydrophobicContact CD1-CB 3.97Å; A113-L123 WeakPolarHBondContact O-CA 3.27Å; A113-V124 HydrophobicContact CB-CB 4.48Å; A113-V124 PolarHBondContact N-O 2.98Å; A113-V124 PolarHBondContact O-N 3.17Å
114A90.9Very high90.8Very high2 Ų238.9 Ų38.92%0.01722%0.224CC..EExtended strand (participates in β ladder)trans-103.894.1175.200000109.7I8 S9 A10 I116 R121 L123I8-A114 PolarHBondContact O-N 2.85Å; S9-A114 WeakPolarHBondContact CA-O 3.44Å; A10-A114 PolarHBondContact N-O 3.47Å; A10-A114 VanDerWaalsContact N-O 3.14Å; A114-I116 PolarHBondContact O-N 3.16Å; A114-R121 HydrophobicContact CB-CG 4.3Å; A114-L123 HydrophobicContact CB-CD2 3.81Å
115C92.1Very high90.5Very high0 Ų039.2 Ų39.20%023%0.228CC..EExtended strand (participates in β ladder)trans-87.6102.9-178.1-57.10000109.8V12 L17 R121 S122V12-C115 HydrophobicContact CG1-CB 4.48Å; V12-C115 HydrophobicContact CG2-CB 3.82Å; L17-C115 HydrophobicContact CD2-CB 3.69Å; C115-R121 WeakPolarHBondContact O-CA 3.31Å; C115-S122 PolarHBondContact N-O 2.83Å; C115-S122 PolarHBondContact O-N 2.79Å
116I88.5Confident90.3Very high29 Ų2936 Ų3615%0.14921%0.207CC..EExtended strand (participates in β ladder)trans-94.4127.4-172.7-56.5164.1000110.4A10 V11 V12 A114 N120 R121 V323A10-I116 PolarHBondContact O-N 2.79Å; V11-I116 WeakPolarHBondContact CA-O 3.45Å; V11-I116 HydrophobicContact CG2-CB 4.43Å; V11-I116 HydrophobicContact CG2-CG2 4.44Å; V12-I116 PolarHBondContact N-O 3.12Å; A114-I116 PolarHBondContact O-N 3.16Å; I116-N120 CarbonylContact C-O 3.58Å; I116-N120 WeakPolarHBondContact CA-O 3.5Å; I116-R121 HydrophobicContact CG1-CG 4.2Å; I116-V323 HydrophobicContact CD1-CG1 3.75Å
117T89Confident90.1Very high19 Ų1930.1 Ų30.112%0.11718%0.179CC..EExtended strand (participates in β ladder)trans-136.7101.717848.40000111.2V12 L17 D119 N120V12-T117 HydrophobicContact CG2-CG2 3.68Å; V12-T117 WeakPolarHBondContact O-CG2 3.43Å; L17-T117 HydrophobicContact CD1-CG2 3.61Å; L17-T117 HydrophobicContact CG-CG2 3.97Å; T117-D119 PolarHBondContact O-N 2.77Å; T117-N120 PolarHBondContact N-O 3.39Å; T117-N120 WeakPolarHBondContact O-CB 3.21Å; T117-N120 PolarHBondContact O-N 3.18Å; T117-N120 PolarHBondContact O-ND2 3.35Å; T117-N120 VanDerWaalsContact O-ND2 3.15Å
118G83.9Confident90Very high65 Ų6526.1 Ų26.167%0.6716%0.163SC*.THydrogen-bonded Turntrans58.4-126-167.600000109.6N120G118-N120 VanDerWaalsContact C-N 3.3Å
119D75.6Confident90.1Very high157 Ų15723 Ų2384%0.8414%0.142SC*.THydrogen-bonded Turntrans-86.30.7177.5-47.5-40.2000113.1T117T117-D119 PolarHBondContact O-N 2.77Å
120N81.7Confident90.1Very high57 Ų5722.8 Ų22.831%0.30514%0.141SC..EExtended strand (participates in β ladder)trans-97.3149.2-176.9-51.5-76.9000112P24 N25 I116 T117 G118P24-N120 HydrophobicContact CB-CB 3.7Å; N25-N120 PolarHBondContact ND2-OD1 3.46Å; N25-N120 WeakPolarHBondContact OD1-CA 3.43Å; N25-N120 WeakPolarHBondContact OD1-CB 3.21Å; I116-N120 CarbonylContact C-O 3.58Å; I116-N120 WeakPolarHBondContact CA-O 3.5Å; T117-N120 PolarHBondContact N-O 3.39Å; T117-N120 WeakPolarHBondContact O-CB 3.21Å; T117-N120 PolarHBondContact O-N 3.18Å; T117-N120 PolarHBondContact O-ND2 3.35Å; T117-N120 VanDerWaalsContact O-ND2 3.15Å; G118-N120 VanDerWaalsContact C-N 3.3Å
121R81.4Confident90.2Very high20 Ų2026.7 Ų26.78%0.07516%0.162CC..EExtended strand (participates in β ladder)trans-137.5113.1177-168.4174.7-131.9-155.8-1.4112N25 A114 C115 I116 L123 D283 N285N25-R121 VanDerWaalsContact CA-O 3.27Å; N25-R121 WeakPolarHBondContact CA-O 3.41Å; N25-R121 PolarHBondContact OD1-N 3.23Å; A114-R121 HydrophobicContact CB-CG 4.3Å; C115-R121 WeakPolarHBondContact O-CA 3.31Å; I116-R121 HydrophobicContact CG1-CG 4.2Å; R121-L123 HydrophobicContact CG-CD2 3.98Å; R121-D283 WeakPolarHBondContact CD-OD2 3.35Å; R121-D283 IonicContact CZ-OD2 3.64Å; R121-D283 IonicContact NE-OD2 2.77Å; R121-D283 PolarHBondContact NE-OD2 3.33Å; R121-D283 IonicContact NH1-OD1 3.62Å; R121-D283 IonicContact NH1-OD2 3.4Å; R121-D283 PolarHBondContact NH1-OD2 2.65Å; R121-D283 IonicContact NH2-OD2 2.65Å; R121-N285 PolarHBondContact NH1-ND2 3.23Å
122S88.8Confident90.3Very high0 Ų027.6 Ų27.60%017%0.168CC..EExtended strand (participates in β ladder)trans-91.1121.6172.6-169.50000109.9K23 D26 C115K23-S122 WeakPolarHBondContact O-CB 3.2Å; K23-S122 PolarHBondContact O-OG 3.14Å; D26-S122 CarbonylContact O-C 3.6Å; D26-S122 WeakPolarHBondContact O-CA 3.34Å; C115-S122 PolarHBondContact N-O 2.83Å; C115-S122 PolarHBondContact O-N 2.79Å
123L87.7Confident90.6Very high16 Ų1627.3 Ų27.38%0.08417%0.165CC..EExtended strand (participates in β ladder)trans-102.4125.4-179.8-60.5-179.8000110.6D26 Q27 I28 A113 A114 R121 N285D26-L123 PolarHBondContact O-N 2.86Å; Q27-L123 WeakPolarHBondContact CA-O 3.49Å; Q27-L123 HydrophobicContact CG-CB 4.29Å; Q27-L123 HydrophobicContact CG-CD1 4.06Å; Q27-L123 HydrophobicContact CG-CG 4.42Å; I28-L123 PolarHBondContact N-O 3.46Å; A113-L123 WeakPolarHBondContact O-CA 3.27Å; A114-L123 HydrophobicContact CB-CD2 3.81Å; R121-L123 HydrophobicContact CG-CD2 3.98Å; L123-N285 VanDerWaalsContact CD1-OD1 3.27Å; L123-N285 WeakPolarHBondContact CD1-OD1 3.39Å
124V91.5Very high90.9Very high0 Ų030.4 Ų30.40%018%0.179CC..EExtended strand (participates in β ladder)trans-124.5107.8175.8-171.50000109L22 I28 A30 H34 L37 F38 C112 A113L22-V124 HydrophobicContact CD1-CG2 3.69Å; L22-V124 HydrophobicContact CD2-CG2 3.51Å; L22-V124 HydrophobicContact CG-CG2 4.26Å; I28-V124 HydrophobicContact CD1-CG1 4.5Å; I28-V124 HydrophobicContact CD1-CG2 4.26Å; I28-V124 HydrophobicContact CG1-CB 4.45Å; I28-V124 HydrophobicContact CG1-CG1 4.27Å; I28-V124 HydrophobicContact CG1-CG2 4.05Å; I28-V124 WeakPolarHBondContact O-CA 3.39Å; A30-V124 HydrophobicContact CB-CG1 3.98Å; H34-V124 HydrophobicContact CB-CG1 4.01Å; L37-V124 HydrophobicContact CD1-CB 4.35Å; L37-V124 HydrophobicContact CD1-CG2 3.98Å; F38-V124 WeakPolarHBondContact CE1-O 3.16Å; F38-V124 HydrophobicContact CZ-CB 4.45Å; F38-V124 HydrophobicContact CZ-CG1 4.14Å; F38-V124 VanDerWaalsContact CZ-O 3.29Å; F38-V124 WeakPolarHBondContact CZ-O 3.39Å; C112-V124 CarbonylContact C-O 3.14Å; C112-V124 WeakPolarHBondContact CA-O 3.41Å; A113-V124 HydrophobicContact CB-CB 4.48Å; A113-V124 PolarHBondContact N-O 2.98Å; A113-V124 PolarHBondContact O-N 3.17Å
125A90.2Very high91.2Very high17 Ų1732.5 Ų32.514%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-95.2116.1-178.700000111.5L5 I28 L29 A30 T111L5-A125 HydrophobicContact CD1-CB 4.24Å; I28-A125 PolarHBondContact O-N 2.95Å; L29-A125 CarbonylContact C-O 3.59Å; L29-A125 WeakPolarHBondContact CA-O 3.32Å; L29-A125 HydrophobicContact CD2-CB 4.21Å; A30-A125 PolarHBondContact N-O 2.92Å; T111-A125 CarbonylContact O-C 3.6Å
126N93.4Very high91.5Very high49 Ų4937.4 Ų37.426%0.26221%0.21SC..EExtended strand (participates in β ladder)trans-98.4101.5166175.927.3000109.1A30 F38 G110 T111 A128A30-N126 HydrophobicContact CB-CB 3.78Å; F38-N126 HydrophobicContact CD2-CB 4.33Å; F38-N126 HydrophobicContact CE1-CB 4.13Å; F38-N126 HydrophobicContact CE2-CB 3.56Å; F38-N126 HydrophobicContact CZ-CB 3.44Å; F38-N126 VanDerWaalsContact CZ-CB 3.44Å; G110-N126 CarbonylContact C-O 3.59Å; G110-N126 WeakPolarHBondContact CA-O 3.16Å; T111-N126 PolarHBondContact N-O 3.05Å; T111-N126 PolarHBondContact O-N 3.47Å; N126-A128 PolarHBondContact O-N 3.45Å
127L91.9Very high92Very high20 Ų2040.8 Ų40.811%0.10522%0.224CC..  trans-64.6-38.9-174.3-65-178.2000112.7N3 L5 L29 G110 A129 A130 N131N3-L127 HydrophobicContact CB-CD2 4.4Å; L5-L127 HydrophobicContact CD1-CD2 4.19Å; L5-L127 HydrophobicContact CD2-CD2 4.02Å; L29-L127 HydrophobicContact CD2-CD1 4.03Å; L29-L127 HydrophobicContact CD2-CD2 4.43Å; L29-L127 HydrophobicContact CD2-CG 3.99Å; G110-L127 WeakPolarHBondContact CA-O 3.4Å; L127-A129 PolarHBondContact O-N 3.4Å; L127-A130 HydrophobicContact CB-CB 4.42Å; L127-A130 WeakPolarHBondContact O-CB 3.39Å; L127-A130 PolarHBondContact O-N 3.47Å; L127-N131 WeakPolarHBondContact CB-ND2 3.09Å; L127-N131 WeakPolarHBondContact CD1-OD1 3.08Å
128A95.1Very high92.5Very high10 Ų1040.4 Ų40.48%0.08322%0.221CC..G310 helixtrans40-119.2179.900000112.4P108 N126 A130 N131P108-A128 HydrophobicContact CG-CB 4.11Å; P108-A128 WeakPolarHBondContact O-CB 3.44Å; N126-A128 PolarHBondContact O-N 3.45Å; A128-A130 PolarHBondContact O-N 2.93Å; A128-N131 WeakPolarHBondContact O-CB 3.49Å; A128-N131 PolarHBondContact O-N 2.84Å
129A97.6Very high93.2Very high0 Ų037.3 Ų37.30%019%0.189CC..G310 helixtrans-52.5-28.917800000115C78 I79 E107 P108 L127 N131 C132C78-A129 WeakPolarHBondContact CB-O 3.41Å; C78-A129 CarbonylContact O-C 3.59Å; C78-A129 PolarHBondContact SG-O 3.3Å; I79-A129 VanDerWaalsContact C-CB 3.46Å; E107-A129 HydrophobicContact CB-CB 4.41Å; P108-A129 WeakPolarHBondContact O-CB 3.22Å; P108-A129 PolarHBondContact O-N 2.94Å; L127-A129 PolarHBondContact O-N 3.4Å; A129-N131 PolarHBondContact O-N 3.47Å; A129-C132 WeakPolarHBondContact O-CA 3.47Å; A129-C132 VanDerWaalsContact O-CB 3.27Å; A129-C132 WeakPolarHBondContact O-CB 3.37Å; A129-C132 PolarHBondContact O-N 2.76Å
130A97.4Very high94.3Very high0 Ų032.3 Ų32.30%016%0.162CC..G310 helixtrans-60.3-30.6178.100000111.8N3 L5 L127 A128 C132 V163N3-A130 HydrophobicContact CB-CB 3.85Å; L5-A130 HydrophobicContact CD2-CB 4.18Å; L127-A130 HydrophobicContact CB-CB 4.42Å; L127-A130 WeakPolarHBondContact O-CB 3.39Å; L127-A130 PolarHBondContact O-N 3.47Å; A128-A130 PolarHBondContact O-N 2.93Å; A130-C132 PolarHBondContact O-N 3.4Å; A130-V163 VanDerWaalsContact O-CG1 3.23Å; A130-V163 WeakPolarHBondContact O-CG1 3.47Å
131N96.8Very high95.1Very high81 Ų8133.3 Ų33.343%0.43317%0.167SC..G310 helixtrans-72.9-9.5173.7-75.9-26.2000113.8L127 A128 A129 V163L127-N131 WeakPolarHBondContact CB-ND2 3.09Å; L127-N131 WeakPolarHBondContact CD1-OD1 3.08Å; A128-N131 WeakPolarHBondContact O-CB 3.49Å; A128-N131 PolarHBondContact O-N 2.84Å; A129-N131 PolarHBondContact O-N 3.47Å; N131-V163 WeakPolarHBondContact OD1-CG2 3.43Å
132C98.1Very high95.9Very high25 Ų2538.5 Ų38.517%0.16920%0.197CC..G310 helixtrans-95.18.3-174.4-55.30000113.2Y102 Q104 E107 A129 A130 K134Y102-C132 VanDerWaalsContact CE1-O 3.3Å; Y102-C132 WeakPolarHBondContact CE1-O 3.33Å; Q104-C132 HydrophobicContact CG-CB 4.28Å; E107-C132 VanDerWaalsContact CG-SG 3.58Å; A129-C132 WeakPolarHBondContact O-CA 3.47Å; A129-C132 VanDerWaalsContact O-CB 3.27Å; A129-C132 WeakPolarHBondContact O-CB 3.37Å; A129-C132 PolarHBondContact O-N 2.76Å; A130-C132 PolarHBondContact O-N 3.4Å; C132-K134 PolarHBondContact O-N 3.02Å
133Y98.6Very high96.3Very high6 Ų642.1 Ų42.12%0.02422%0.222CC..  trans-61.3126.7178.9-167.9-87.1000111.2M1 F76 C78 H138 L139 F160 S167M1-Y133 HydrophobicContact CE-CD1 4.49Å; M1-Y133 HydrophobicContact CE-CE1 3.6Å; M1-Y133 HydrophobicContact CE-CE2 4.26Å; M1-Y133 VanDerWaalsContact CE-CZ 3.45Å; M1-Y133 VanDerWaalsContact CE-OH 3.24Å; M1-Y133 WeakPolarHBondContact CE-OH 3.18Å; F76-Y133 HydrophobicContact CB-CE2 4.36Å; C78-Y133 HydrophobicContact CB-CD2 4.06Å; C78-Y133 HydrophobicContact CB-CG 4.5Å; Y133-H138 HydrophobicContact CE2-CB 4.17Å; Y133-H138 AromaticContact CE2-CG 3.94Å; Y133-H138 AromaticContact CE2-ND1 3.44Å; Y133-H138 WeakPolarHBondContact CE2-ND1 3.5Å; Y133-H138 AromaticContact CZ-ND1 3.5Å; Y133-H138 PolarHBondContact OH-ND1 3.47Å; Y133-L139 HydrophobicContact CE1-CB 4.39Å; Y133-F160 HydrophobicContact CD1-CE1 4.47Å; Y133-F160 HydrophobicContact CD1-CE2 4.46Å; Y133-F160 AromaticContact CD1-CZ 3.61Å; Y133-F160 HydrophobicContact CD1-CZ 3.61Å; Y133-F160 HydrophobicContact CD2-CZ 4.29Å; Y133-F160 HydrophobicContact CE1-CZ 4.09Å; Y133-F160 HydrophobicContact CG-CE2 4.16Å; Y133-F160 AromaticContact CG-CZ 3.71Å; Y133-F160 HydrophobicContact CG-CZ 3.71Å; Y133-S167 WeakPolarHBondContact CE1-OG 3.2Å
134K97.9Very high96.8Very high65 Ų6542 Ų4228%0.28322%0.221SC..  trans-122.5114.8-177-77.4175.4-175.1173.30110Y102 C132 E136 K137 H138Y102-K134 HydrophobicContact CE1-CB 4.28Å; C132-K134 PolarHBondContact O-N 3.02Å; K134-E136 VanDerWaalsContact C-N 3.31Å; K134-E136 WeakPolarHBondContact CB-OE1 3.38Å; K134-E136 PolarHBondContact O-N 3.35Å; K134-K137 HydrophobicContact CB-CB 4.05Å; K134-K137 HydrophobicContact CB-CD 4.29Å; K134-K137 HydrophobicContact CB-CG 4.07Å; K134-K137 HydrophobicContact CD-CD 3.97Å; K134-K137 PolarHBondContact O-N 2.88Å; K134-K137 VanDerWaalsContact O-N 3.14Å; K134-H138 PolarHBondContact O-N 3.39Å
135K98.4Very high97.2Very high47 Ų4743.9 Ų43.920%0.20423%0.228CC..G310 helixtrans-51.8-50.9-177.2-169.5-174.798.1-57.80111.4K137 H138 L139 D140 E166 S167 K170K135-K137 PolarHBondContact O-N 3.12Å; K135-H138 PolarHBondContact O-N 3.09Å; K135-L139 HydrophobicContact CG-CB 3.96Å; K135-L139 HydrophobicContact CG-CD2 4Å; K135-L139 HydrophobicContact CG-CG 4.48Å; K135-L139 PolarHBondContact O-N 2.95Å; K135-D140 WeakPolarHBondContact CE-OD1 3.22Å; K135-D140 WeakPolarHBondContact CE-OD2 3.3Å; K135-D140 IonicContact NZ-OD1 2.74Å; K135-D140 IonicContact NZ-OD2 3Å; K135-D140 PolarHBondContact NZ-OD2 3.37Å; K135-D140 PolarHBondContact O-N 3.41Å; K135-E166 HydrophobicContact CB-CG 4.21Å; K135-E166 HydrophobicContact CD-CB 4.48Å; K135-E166 HydrophobicContact CD-CG 4.05Å; K135-S167 WeakPolarHBondContact CB-OG 3.45Å; K135-S167 WeakPolarHBondContact CG-OG 3.44Å; K135-K170 HydrophobicContact CD-CB 4.44Å; K135-K170 HydrophobicContact CD-CD 4.17Å
136E98.4Very high97.6Very high102 Ų10248 Ų4848%0.47725%0.245SC..G310 helixtrans-67.5-21.6-175.872.6-71.2170.900113.9K134 D140K134-E136 VanDerWaalsContact C-N 3.31Å; K134-E136 WeakPolarHBondContact CB-OE1 3.38Å; K134-E136 PolarHBondContact O-N 3.35Å; E136-D140 WeakPolarHBondContact CA-OD2 3.46Å
137K98.3Very high97.8Very high100 Ų10046.9 Ų46.944%0.43524%0.239SC..G310 helixtrans-98.5-7.1179.2-59.9-166.8-178.9-172.50113.5Y102 K134 K135 L141Y102-K137 HydrophobicContact CE2-CB 4.36Å; K134-K137 HydrophobicContact CB-CB 4.05Å; K134-K137 HydrophobicContact CB-CD 4.29Å; K134-K137 HydrophobicContact CB-CG 4.07Å; K134-K137 HydrophobicContact CD-CD 3.97Å; K134-K137 PolarHBondContact O-N 2.88Å; K134-K137 VanDerWaalsContact O-N 3.14Å; K135-K137 PolarHBondContact O-N 3.12Å; K137-L141 WeakPolarHBondContact O-CD1 3.5Å
138H98.8Very high98.2Very high11 Ų1146.5 Ų46.55%0.05124%0.237CC..THydrogen-bonded Turntrans-142.9-62.9-173.8-167.2-96.8000113.3F76 H100 Y102 Y133 K134 K135 D140 L141 N144F76-H138 AromaticContact CD1-CE1 3.99Å; F76-H138 AromaticContact CG-CE1 3.82Å; H100-H138 PolarHBondContact O-CE1 3.42Å; H100-H138 PolarHBondContact O-NE2 2.97Å; Y102-H138 HydrophobicContact CG-CB 4.4Å; Y102-H138 PolarHBondContact N-NE2 2.69Å; Y133-H138 HydrophobicContact CE2-CB 4.17Å; Y133-H138 AromaticContact CE2-CG 3.94Å; Y133-H138 AromaticContact CE2-ND1 3.44Å; Y133-H138 WeakPolarHBondContact CE2-ND1 3.5Å; Y133-H138 AromaticContact CZ-ND1 3.5Å; Y133-H138 PolarHBondContact OH-ND1 3.47Å; K134-H138 PolarHBondContact O-N 3.39Å; K135-H138 PolarHBondContact O-N 3.09Å; H138-D140 VanDerWaalsContact C-N 3.31Å; H138-D140 PolarHBondContact O-N 3.45Å; H138-L141 WeakPolarHBondContact O-CB 3.4Å; H138-L141 PolarHBondContact O-N 3.48Å; H138-N144 PolarHBondContact CD2-ND2 2.92Å; H138-N144 PolarHBondContact NE2-ND2 2.9Å; H138-N144 WeakPolarHBondContact O-CB 3.48Å; H138-N144 PolarHBondContact O-ND2 3.17Å
139L98.8Very high98.3Very high0 Ų050.5 Ų50.50%025%0.254CS..THydrogen-bonded Turntrans-67.6-32.6-176.7-171.264.6000112.7M1 F76 Y133 K135 L141 W145 V148 K170 V171M1-L139 HydrophobicContact CE-CD1 4.27Å; M1-L139 HydrophobicContact CE-CD2 4.46Å; F76-L139 HydrophobicContact CD2-CD1 3.95Å; F76-L139 HydrophobicContact CE2-CD1 4Å; Y133-L139 HydrophobicContact CE1-CB 4.39Å; K135-L139 HydrophobicContact CG-CB 3.96Å; K135-L139 HydrophobicContact CG-CD2 4Å; K135-L139 HydrophobicContact CG-CG 4.48Å; K135-L139 PolarHBondContact O-N 2.95Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-W145 HydrophobicContact CD1-CE3 4.06Å; L139-W145 HydrophobicContact CD1-CZ3 4.13Å; L139-W145 HydrophobicContact CD2-CZ3 4.19Å; L139-W145 HydrophobicContact CG-CE3 3.99Å; L139-W145 HydrophobicContact CG-CZ3 4Å; L139-V148 HydrophobicContact CD1-CG2 3.87Å; L139-K170 HydrophobicContact CD2-CB 4.45Å; L139-K170 HydrophobicContact CD2-CD 4.09Å; L139-V171 HydrophobicContact CD1-CG2 4.37Å; L139-V171 HydrophobicContact CD2-CG2 4.07Å
140D98.7Very high98.4Very high52 Ų5257.7 Ų57.728%0.27829%0.285SS..THydrogen-bonded Turntrans-83.2-2.2-178.9-65.4-22.3000113K135 E136 H138 K170K135-D140 WeakPolarHBondContact CE-OD1 3.22Å; K135-D140 WeakPolarHBondContact CE-OD2 3.3Å; K135-D140 IonicContact NZ-OD1 2.74Å; K135-D140 IonicContact NZ-OD2 3Å; K135-D140 PolarHBondContact NZ-OD2 3.37Å; K135-D140 PolarHBondContact O-N 3.41Å; E136-D140 WeakPolarHBondContact CA-OD2 3.46Å; H138-D140 VanDerWaalsContact C-N 3.31Å; H138-D140 PolarHBondContact O-N 3.45Å; D140-K170 WeakPolarHBondContact OD1-CD 3.29Å; D140-K170 WeakPolarHBondContact OD1-CE 3.46Å; D140-K170 IonicContact OD1-NZ 3.72Å; D140-K170 PolarHBondContact OD1-NZ 2.83Å
141L98.8Very high98.4Very high78 Ų7859 Ų5941%0.40830%0.297SS..SBendtrans-73.1129.6172.2-57.4-178000109.6K137 H138 L139 S143 N144 W145K137-L141 WeakPolarHBondContact O-CD1 3.5Å; H138-L141 WeakPolarHBondContact O-CB 3.4Å; H138-L141 PolarHBondContact O-N 3.48Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L141-S143 VanDerWaalsContact C-N 3.27Å; L141-S143 PolarHBondContact O-N 3.22Å; L141-N144 HydrophobicContact CB-CB 4.43Å; L141-N144 PolarHBondContact O-N 3.09Å; L141-W145 PolarHBondContact O-N 3.34Å
142D98.4Very high98.5Very high130 Ų13061.5 Ų61.570%0.69530%0.304SS*.Hα-helixtrans-50.7-46.3-176.6-65.5-20.5000112.1N144 W145 E146D142-N144 PolarHBondContact O-N 3.36Å; D142-W145 PolarHBondContact O-N 3.22Å; D142-E146 WeakPolarHBondContact O-CG 3.08Å; D142-E146 PolarHBondContact O-N 3.08Å
143S98.1Very high98.5Very high75 Ų7561.5 Ų61.552%0.52430%0.303SS..Hα-helixtrans-58.4-33.5179.461.70000113.9L141L141-S143 VanDerWaalsContact C-N 3.27Å; L141-S143 PolarHBondContact O-N 3.22Å
144N98.6Very high98.5Very high15 Ų1562 Ų628%0.0830%0.304CS..Hα-helixtrans-85.8-39.7179.1-69.6-10.8000110.8F76 H138 L141 D142 E146 L147 V148F76-N144 HydrophobicContact CE2-CB 4.17Å; F76-N144 HydrophobicContact CZ-CB 3.98Å; F76-N144 WeakPolarHBondContact CZ-O 3.28Å; H138-N144 PolarHBondContact CD2-ND2 2.92Å; H138-N144 PolarHBondContact NE2-ND2 2.9Å; H138-N144 WeakPolarHBondContact O-CB 3.48Å; H138-N144 PolarHBondContact O-ND2 3.17Å; L141-N144 HydrophobicContact CB-CB 4.43Å; L141-N144 PolarHBondContact O-N 3.09Å; D142-N144 PolarHBondContact O-N 3.36Å; N144-E146 VanDerWaalsContact C-N 3.3Å; N144-E146 PolarHBondContact O-N 3.05Å; N144-L147 WeakPolarHBondContact O-CB 3.3Å; N144-L147 PolarHBondContact O-N 2.92Å; N144-L147 VanDerWaalsContact O-N 3.13Å; N144-V148 PolarHBondContact O-N 3.08Å
145W98.8Very high98.5Very high38 Ų3859.6 Ų59.614%0.14429%0.294CS..Hα-helixtrans-63.5-36.8178.3-170.8-103.7000111.9L139 L141 D142 L147 V148 E149 K170 V171 H174L139-W145 HydrophobicContact CD1-CE3 4.06Å; L139-W145 HydrophobicContact CD1-CZ3 4.13Å; L139-W145 HydrophobicContact CD2-CZ3 4.19Å; L139-W145 HydrophobicContact CG-CE3 3.99Å; L139-W145 HydrophobicContact CG-CZ3 4Å; L141-W145 PolarHBondContact O-N 3.34Å; D142-W145 PolarHBondContact O-N 3.22Å; W145-L147 PolarHBondContact O-N 2.6Å; W145-L147 VanDerWaalsContact O-N 3.17Å; W145-V148 HydrophobicContact CD2-CB 4.4Å; W145-V148 HydrophobicContact CE3-CB 4.11Å; W145-V148 HydrophobicContact CE3-CG1 4.25Å; W145-V148 HydrophobicContact CE3-CG2 4.05Å; W145-V148 HydrophobicContact CH2-CG1 4.07Å; W145-V148 HydrophobicContact CZ3-CB 4.29Å; W145-V148 HydrophobicContact CZ3-CG1 3.92Å; W145-V148 HydrophobicContact CZ3-CG2 4.31Å; W145-V148 WeakPolarHBondContact O-CA 3.39Å; W145-V148 VanDerWaalsContact O-CB 3.26Å; W145-V148 WeakPolarHBondContact O-CB 3.12Å; W145-V148 PolarHBondContact O-N 3.49Å; W145-E149 PolarHBondContact NE1-OE1 3.03Å; W145-E149 VanDerWaalsContact NE1-OE1 3.09Å; W145-E149 PolarHBondContact O-N 2.83Å; W145-K170 HydrophobicContact CE3-CD 4.19Å; W145-K170 HydrophobicContact CH2-CD 3.83Å; W145-K170 HydrophobicContact CH2-CG 3.71Å; W145-K170 HydrophobicContact CZ3-CD 3.56Å; W145-K170 VanDerWaalsContact CZ3-CE 3.43Å; W145-K170 HydrophobicContact CZ3-CG 3.9Å; W145-V171 HydrophobicContact CZ3-CG2 4.3Å; W145-H174 HydrophobicContact CH2-CB 3.97Å; W145-H174 HydrophobicContact CZ2-CB 3.91Å; W145-H174 AromaticContact CZ2-CG 3.85Å; W145-H174 AromaticContact CZ2-ND1 3.85Å
146E98.6Very high98.6Very high104 Ų10457.5 Ų57.549%0.48629%0.285SS..Hα-helixtrans-55-33.7172.8-78.4179.1-169.700113.1D142 N144 E149 K150D142-E146 WeakPolarHBondContact O-CG 3.08Å; D142-E146 PolarHBondContact O-N 3.08Å; N144-E146 VanDerWaalsContact C-N 3.3Å; N144-E146 PolarHBondContact O-N 3.05Å; E146-E149 PolarHBondContact O-N 3.31Å; E146-K150 WeakPolarHBondContact O-CG 3.46Å; E146-K150 PolarHBondContact O-N 3.41Å; E146-K150 VanDerWaalsContact O-N 3.15Å
147L98.6Very high98.6Very high25 Ų2552.7 Ų52.713%0.13126%0.263CS..Hα-helixtrans-71.4-36.4175.7-58.1172.6000111.5T74 F76 H100 N144 W145 E149 K150 A151T74-L147 HydrophobicContact CG2-CB 4.24Å; T74-L147 HydrophobicContact CG2-CD1 4.24Å; F76-L147 HydrophobicContact CE1-CD1 3.97Å; F76-L147 HydrophobicContact CZ-CB 4.06Å; F76-L147 HydrophobicContact CZ-CD1 4.01Å; H100-L147 VanDerWaalsContact NE2-CD1 3.35Å; H100-L147 WeakPolarHBondContact NE2-CD1 3.37Å; N144-L147 WeakPolarHBondContact O-CB 3.3Å; N144-L147 PolarHBondContact O-N 2.92Å; N144-L147 VanDerWaalsContact O-N 3.13Å; W145-L147 PolarHBondContact O-N 2.6Å; W145-L147 VanDerWaalsContact O-N 3.17Å; L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 2.8Å; L147-K150 HydrophobicContact CD2-CD 4.36Å; L147-K150 PolarHBondContact O-N 3.41Å; L147-A151 PolarHBondContact O-N 3.07Å
148V98.8Very high98.6Very high12 Ų1248 Ų487%0.07324%0.242CC..Hα-helixtrans-61.8-42.1172-178.20000109.8F76 L139 N144 W145 K150 A151 Y154 V171F76-V148 HydrophobicContact CE2-CG2 3.72Å; F76-V148 HydrophobicContact CZ-CG2 4.43Å; L139-V148 HydrophobicContact CD1-CG2 3.87Å; N144-V148 PolarHBondContact O-N 3.08Å; W145-V148 HydrophobicContact CD2-CB 4.4Å; W145-V148 HydrophobicContact CE3-CB 4.11Å; W145-V148 HydrophobicContact CE3-CG1 4.25Å; W145-V148 HydrophobicContact CE3-CG2 4.05Å; W145-V148 HydrophobicContact CH2-CG1 4.07Å; W145-V148 HydrophobicContact CZ3-CB 4.29Å; W145-V148 HydrophobicContact CZ3-CG1 3.92Å; W145-V148 HydrophobicContact CZ3-CG2 4.31Å; W145-V148 WeakPolarHBondContact O-CA 3.39Å; W145-V148 VanDerWaalsContact O-CB 3.26Å; W145-V148 WeakPolarHBondContact O-CB 3.12Å; W145-V148 PolarHBondContact O-N 3.49Å; V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 PolarHBondContact O-N 3.35Å; V148-A151 PolarHBondContact O-N 2.89Å; V148-Y154 HydrophobicContact CG1-CD1 4.43Å; V148-Y154 HydrophobicContact CG1-CE1 3.58Å; V148-Y154 VanDerWaalsContact O-CE1 3.29Å; V148-Y154 WeakPolarHBondContact O-CE1 3.33Å; V148-Y154 PolarHBondContact O-OH 3.25Å; V148-V171 HydrophobicContact CG1-CG1 4.32Å; V148-V171 HydrophobicContact CG1-CG2 4.24Å
149E98.6Very high98.4Very high95 Ų9550.1 Ų50.144%0.44425%0.252SS..Hα-helixtrans-67-27.2179.3-67-175.3150.800113.3W145 E146 L147 K180W145-E149 PolarHBondContact NE1-OE1 3.03Å; W145-E149 VanDerWaalsContact NE1-OE1 3.09Å; W145-E149 PolarHBondContact O-N 2.83Å; E146-E149 PolarHBondContact O-N 3.31Å; L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 2.8Å; E149-K180 PolarHBondContact O-NZ 3.33Å
150K98.1Very high98.4Very high150 Ų15050.2 Ų50.265%0.65225%0.252SS*.Hα-helixtrans-71.8-28.7174.6-72.5168.6-170.6170.20113.5E146 L147 V148E146-K150 WeakPolarHBondContact O-CG 3.46Å; E146-K150 PolarHBondContact O-N 3.41Å; E146-K150 VanDerWaalsContact O-N 3.15Å; L147-K150 HydrophobicContact CD2-CD 4.36Å; L147-K150 PolarHBondContact O-N 3.41Å; V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 PolarHBondContact O-N 3.35Å
151A98.4Very high98.4Very high29 Ų2947.9 Ų47.924%0.2424%0.239CC..  trans-67.9139.6-175.400000112L147 V148 Y154 K180L147-A151 PolarHBondContact O-N 3.07Å; V148-A151 PolarHBondContact O-N 2.89Å; A151-Y154 HydrophobicContact CB-CD1 4.13Å; A151-Y154 HydrophobicContact CB-CE1 3.6Å; A151-Y154 PolarHBondContact O-OH 3.37Å; A151-K180 VanDerWaalsContact O-CD 3.26Å; A151-K180 WeakPolarHBondContact O-CD 3.49Å; A151-K180 VanDerWaalsContact O-CE 3.23Å; A151-K180 WeakPolarHBondContact O-CE 3.39Å; A151-K180 PolarHBondContact O-NZ 3.46Å
152K97.9Very high98.2Very high133 Ų13346 Ų4658%0.57823%0.231SC*.SBendtrans-92.6-28.3169.4-67.5-177.4173.2-174.30112.8I181 E302K152-I181 PolarHBondContact O-N 3.03Å; K152-I181 VanDerWaalsContact O-N 3.11Å; K152-E302 IonicContact NZ-OE1 2.69Å; K152-E302 PolarHBondContact NZ-OE1 3.07Å
153V98.8Very high98.1Very high25 Ų2540.9 Ų40.915%0.15221%0.205CC..EExtended strand (participates in β ladder)trans-129.4131.2-177.5-179.10000108.2I181 L296 L299 V300V153-I181 CarbonylContact C-O 3.53Å; V153-I181 WeakPolarHBondContact CA-O 3.31Å; V153-I181 HydrophobicContact CG1-CG2 4.43Å; V153-I181 HydrophobicContact CG2-CB 4.3Å; V153-I181 HydrophobicContact CG2-CD1 4.26Å; V153-L296 HydrophobicContact CG1-CD2 3.91Å; V153-L299 HydrophobicContact CG1-CD2 3.73Å; V153-L299 HydrophobicContact CG2-CD2 4.22Å; V153-L299 HydrophobicContact CG2-CG 4.21Å; V153-V300 HydrophobicContact CB-CG1 4.02Å; V153-V300 HydrophobicContact CG2-CG1 3.85Å
154Y98.9Very high98.1Very high15 Ų1537.3 Ų37.36%0.05918%0.18CC..EExtended strand (participates in β ladder)trans-110.5139.1174-55.8-81.5000109.2V148 A151 V171 H174 A175 K180 I181 F182 C183V148-Y154 HydrophobicContact CG1-CD1 4.43Å; V148-Y154 HydrophobicContact CG1-CE1 3.58Å; V148-Y154 VanDerWaalsContact O-CE1 3.29Å; V148-Y154 WeakPolarHBondContact O-CE1 3.33Å; V148-Y154 PolarHBondContact O-OH 3.25Å; A151-Y154 HydrophobicContact CB-CD1 4.13Å; A151-Y154 HydrophobicContact CB-CE1 3.6Å; A151-Y154 PolarHBondContact O-OH 3.37Å; Y154-V171 HydrophobicContact CD1-CG1 3.47Å; Y154-V171 VanDerWaalsContact CD1-CG1 3.47Å; Y154-V171 HydrophobicContact CD2-CG1 4.46Å; Y154-V171 HydrophobicContact CE1-CG1 3.97Å; Y154-V171 HydrophobicContact CG-CG1 3.76Å; Y154-H174 AromaticContact CZ-CD2 3.97Å; Y154-H174 PolarHBondContact OH-CD2 3.33Å; Y154-H174 VanDerWaalsContact OH-CD2 3.23Å; Y154-H174 PolarHBondContact OH-NE2 3.48Å; Y154-A175 HydrophobicContact CD2-CB 3.54Å; Y154-A175 HydrophobicContact CE2-CB 3.57Å; Y154-K180 HydrophobicContact CD2-CB 4.45Å; Y154-K180 HydrophobicContact CE2-CB 3.77Å; Y154-K180 HydrophobicContact CE2-CD 3.69Å; Y154-K180 HydrophobicContact CE2-CG 4.42Å; Y154-K180 VanDerWaalsContact OH-CD 3.24Å; Y154-K180 WeakPolarHBondContact OH-CD 3.21Å; Y154-K180 PolarHBondContact OH-NZ 3.12Å; Y154-I181 WeakPolarHBondContact CD2-O 3.32Å; Y154-I181 PolarHBondContact N-O 3.19Å; Y154-F182 HydrophobicContact CG-CD2 4.35Å; Y154-C183 WeakPolarHBondContact O-CA 3.32Å; Y154-C183 WeakPolarHBondContact O-CB 3.43Å; Y154-C183 PolarHBondContact O-N 3.34Å; Y154-C183 PolarHBondContact O-SG 3.22Å
155Y98.9Very high98.1Very high15 Ų1538.7 Ų38.76%0.05919%0.189CC..EExtended strand (participates in β ladder)trans-132.8129.3169.6174.3-114.9000110.6M1 T55 S58 C183 N185 F210 V292 L296M1-Y155 PolarHBondContact N-O 3.32Å; T55-Y155 HydrophobicContact CG2-CD1 3.87Å; T55-Y155 HydrophobicContact CG2-CE1 4.12Å; S58-Y155 WeakPolarHBondContact OG-CE1 3.37Å; Y155-C183 WeakPolarHBondContact CA-O 3.34Å; Y155-C183 HydrophobicContact CD2-CB 3.96Å; Y155-N185 HydrophobicContact CE2-CB 3.96Å; Y155-N185 WeakPolarHBondContact OH-CB 3.34Å; Y155-N185 PolarHBondContact OH-ND2 3.18Å; Y155-F210 HydrophobicContact CD2-CD2 4.46Å; Y155-F210 HydrophobicContact CE2-CD2 4.14Å; Y155-V292 HydrophobicContact CD1-CG1 4.22Å; Y155-V292 HydrophobicContact CD2-CG1 4Å; Y155-V292 HydrophobicContact CE1-CG1 3.85Å; Y155-V292 HydrophobicContact CE2-CG1 3.61Å; Y155-V292 HydrophobicContact CG-CG1 4.29Å; Y155-L296 HydrophobicContact CD1-CD1 3.83Å; Y155-L296 HydrophobicContact CD2-CD1 4.47Å; Y155-L296 HydrophobicContact CG-CD1 3.74Å
156I98.9Very high98.1Very high3 Ų340.9 Ų40.92%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-138.9118.3177.1-52.9-174.5000108.4M1 F160 I168 V171 F182 C183 M184 N185M1-I156 HydrophobicContact CG-CD1 3.6Å; M1-I156 HydrophobicContact CG-CG1 3.88Å; M1-I156 HydrophobicContact CG-CG2 4.38Å; M1-I156 HydrophobicContact SD-CD1 3.88Å; I156-F160 HydrophobicContact CG2-CB 3.84Å; I156-F160 HydrophobicContact CG2-CD1 4.02Å; I156-F160 HydrophobicContact CG2-CG 4.34Å; I156-I168 HydrophobicContact CD1-CB 4.44Å; I156-I168 HydrophobicContact CD1-CG1 4.26Å; I156-I168 HydrophobicContact CD1-CG2 4.2Å; I156-I168 HydrophobicContact CG2-CD1 3.93Å; I156-I168 HydrophobicContact CG2-CG1 3.99Å; I156-V171 HydrophobicContact CD1-CB 4.44Å; I156-V171 HydrophobicContact CD1-CG1 4.47Å; I156-F182 HydrophobicContact CD1-CE2 3.85Å; I156-F182 HydrophobicContact CD1-CZ 4.04Å; I156-F182 HydrophobicContact CG1-CE2 4.23Å; I156-F182 HydrophobicContact CG1-CZ 4.35Å; I156-C183 PolarHBondContact N-O 2.88Å; I156-M184 WeakPolarHBondContact O-CA 3.43Å; I156-M184 WeakPolarHBondContact O-CG 3.26Å; I156-N185 PolarHBondContact O-N 3.16Å
157A98.6Very high98.1Very high2 Ų236 Ų362%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-64143.9170.800000111.3T55 F159 F160 S187T55-A157 WeakPolarHBondContact OG1-CB 3.42Å; T55-A157 PolarHBondContact OG1-N 2.84Å; A157-F159 HydrophobicContact CB-CD2 4.4Å; A157-F159 PolarHBondContact O-N 2.87Å; A157-F159 VanDerWaalsContact O-N 3.11Å; A157-F160 PolarHBondContact O-N 3.47Å; A157-S187 WeakPolarHBondContact CB-OG 3.38Å
158G98.1Very high98.1Very high0 Ų034.8 Ų34.80%017%0.172CC..G310 helixtrans-56.4-25.717800000113.8F160 L161 N185 S187G158-F160 PolarHBondContact O-N 2.82Å; G158-L161 WeakPolarHBondContact O-CB 3.34Å; G158-L161 WeakPolarHBondContact O-CG 3.43Å; G158-L161 PolarHBondContact O-N 3.08Å; G158-N185 WeakPolarHBondContact CA-O 3.47Å; G158-N185 PolarHBondContact N-O 3.21Å; G158-S187 PolarHBondContact N-OG 2.77Å
159F96.3Very high98.1Very high57 Ų5736.4 Ų36.425%0.2518%0.18CC..G310 helixtrans-52.2-29.9171.6-66.4-51.1000113.9N3 A157 L161 T162 S187 A188 F190 I191N3-F159 PolarHBondContact ND2-O 2.89Å; A157-F159 HydrophobicContact CB-CD2 4.4Å; A157-F159 PolarHBondContact O-N 2.87Å; A157-F159 VanDerWaalsContact O-N 3.11Å; F159-L161 PolarHBondContact O-N 2.97Å; F159-T162 PolarHBondContact O-N 3.47Å; F159-T162 PolarHBondContact O-OG1 3.32Å; F159-S187 WeakPolarHBondContact CZ-O 3.5Å; F159-A188 HydrophobicContact CE1-CB 3.62Å; F159-A188 HydrophobicContact CZ-CB 4.02Å; F159-F190 HydrophobicContact CD1-CE1 4.07Å; F159-F190 AromaticContact CD1-CZ 3.78Å; F159-F190 HydrophobicContact CD1-CZ 3.78Å; F159-F190 AromaticContact CE1-CE1 3.65Å; F159-F190 HydrophobicContact CE1-CE1 3.65Å; F159-F190 AromaticContact CE1-CZ 3.87Å; F159-F190 HydrophobicContact CE1-CZ 3.87Å; F159-I191 HydrophobicContact CD1-CD1 4.34Å; F159-I191 HydrophobicContact CD1-CG1 4.44Å
160F98.3Very high98.2Very high1 Ų134.7 Ų34.70%0.00417%0.171CC..G310 helixtrans-74.6-12.7-179.3-161-122.5000113.1M1 N3 Y133 I156 A157 G158 T162 V163 S164 I168M1-F160 HydrophobicContact CE-CE1 3.57Å; M1-F160 HydrophobicContact CE-CZ 3.89Å; M1-F160 HydrophobicContact CG-CD1 4.08Å; M1-F160 HydrophobicContact CG-CE1 3.88Å; M1-F160 HydrophobicContact SD-CE1 3.93Å; N3-F160 WeakPolarHBondContact OD1-CD2 3.5Å; Y133-F160 HydrophobicContact CD1-CE1 4.47Å; Y133-F160 HydrophobicContact CD1-CE2 4.46Å; Y133-F160 AromaticContact CD1-CZ 3.61Å; Y133-F160 HydrophobicContact CD1-CZ 3.61Å; Y133-F160 HydrophobicContact CD2-CZ 4.29Å; Y133-F160 HydrophobicContact CE1-CZ 4.09Å; Y133-F160 HydrophobicContact CG-CE2 4.16Å; Y133-F160 AromaticContact CG-CZ 3.71Å; Y133-F160 HydrophobicContact CG-CZ 3.71Å; I156-F160 HydrophobicContact CG2-CB 3.84Å; I156-F160 HydrophobicContact CG2-CD1 4.02Å; I156-F160 HydrophobicContact CG2-CG 4.34Å; A157-F160 PolarHBondContact O-N 3.47Å; G158-F160 PolarHBondContact O-N 2.82Å; F160-T162 PolarHBondContact O-N 3.47Å; F160-V163 HydrophobicContact CD2-CB 3.97Å; F160-V163 HydrophobicContact CD2-CG1 4.32Å; F160-V163 HydrophobicContact CD2-CG2 4.41Å; F160-V163 HydrophobicContact CE2-CB 4.05Å; F160-V163 HydrophobicContact CE2-CG1 3.89Å; F160-V163 PolarHBondContact O-N 2.92Å; F160-V163 VanDerWaalsContact O-N 3.12Å; F160-S164 PolarHBondContact O-N 3.03Å; F160-I168 HydrophobicContact CB-CD1 3.95Å; F160-I168 HydrophobicContact CD1-CD1 3.87Å; F160-I168 HydrophobicContact CD1-CG1 3.63Å; F160-I168 HydrophobicContact CE1-CG1 4.33Å; F160-I168 HydrophobicContact CG-CD1 4.33Å
161L97.9Very high98.2Very high3 Ų327.8 Ų27.82%0.01614%0.142CC..G310 helixtrans-62.8-25.5170.6-69.9167.5000112.2G158 F159 V163 P165 I168 M184 I191 P198 L199 V202G158-L161 WeakPolarHBondContact O-CB 3.34Å; G158-L161 WeakPolarHBondContact O-CG 3.43Å; G158-L161 PolarHBondContact O-N 3.08Å; F159-L161 PolarHBondContact O-N 2.97Å; L161-V163 PolarHBondContact O-N 3.29Å; L161-P165 HydrophobicContact CD2-CB 4.43Å; L161-I168 HydrophobicContact CB-CD1 4.48Å; L161-I168 HydrophobicContact CD2-CD1 3.79Å; L161-I168 HydrophobicContact CG-CD1 3.96Å; L161-M184 HydrophobicContact CD1-CE 3.38Å; L161-M184 HydrophobicContact CD2-CE 3.93Å; L161-M184 HydrophobicContact CG-CE 3.59Å; L161-I191 HydrophobicContact CD1-CG2 3.69Å; L161-P198 HydrophobicContact CD2-CB 4.04Å; L161-L199 HydrophobicContact CD1-CB 3.78Å; L161-L199 HydrophobicContact CD1-CD1 3.93Å; L161-L199 HydrophobicContact CD1-CG 4.44Å; L161-V202 HydrophobicContact CD2-CG2 4.11Å
162T94.6Very high98.2Very high39 Ų3926.4 Ų26.424%0.23913%0.13CC..G310 helixtrans-77.4-8.8177.977.50000112.6F159 F160 F190 I191 F195F159-T162 PolarHBondContact O-N 3.47Å; F159-T162 PolarHBondContact O-OG1 3.32Å; F160-T162 PolarHBondContact O-N 3.47Å; T162-F190 HydrophobicContact CG2-CE2 3.95Å; T162-I191 HydrophobicContact CG2-CD1 3.65Å; T162-F195 HydrophobicContact CG2-CD1 4.17Å; T162-F195 HydrophobicContact CG2-CD2 3.93Å; T162-F195 HydrophobicContact CG2-CE1 3.87Å; T162-F195 HydrophobicContact CG2-CE2 3.61Å; T162-F195 HydrophobicContact CG2-CG 4.2Å; T162-F195 HydrophobicContact CG2-CZ 3.57Å
163V96.9Very high98.3Very high23 Ų2324.1 Ų24.114%0.13912%0.12CC..THydrogen-bonded Turntrans-115.3-58.8-172.3178.30000111.4N3 A130 N131 F160 L161N3-V163 VanDerWaalsContact OD1-CG2 3.32Å; N3-V163 WeakPolarHBondContact OD1-CG2 3.39Å; A130-V163 VanDerWaalsContact O-CG1 3.23Å; A130-V163 WeakPolarHBondContact O-CG1 3.47Å; N131-V163 WeakPolarHBondContact OD1-CG2 3.43Å; F160-V163 HydrophobicContact CD2-CB 3.97Å; F160-V163 HydrophobicContact CD2-CG1 4.32Å; F160-V163 HydrophobicContact CD2-CG2 4.41Å; F160-V163 HydrophobicContact CE2-CB 4.05Å; F160-V163 HydrophobicContact CE2-CG1 3.89Å; F160-V163 PolarHBondContact O-N 2.92Å; F160-V163 VanDerWaalsContact O-N 3.12Å; L161-V163 PolarHBondContact O-N 3.29Å
164S98.4Very high98.3Very high0 Ų023.8 Ų23.80%012%0.117CC..  trans-146.569.5-172.7-171.70000111.2F160 E166 S167 I168F160-S164 PolarHBondContact O-N 3.03Å; S164-E166 WeakPolarHBondContact CB-OE1 3.43Å; S164-E166 PolarHBondContact O-N 2.84Å; S164-E166 PolarHBondContact OG-OE1 2.71Å; S164-S167 WeakPolarHBondContact O-CB 3.25Å; S164-S167 PolarHBondContact O-N 2.85Å; S164-S167 VanDerWaalsContact OG-CB 3.23Å; S164-S167 WeakPolarHBondContact OG-CB 3.27Å; S164-S167 PolarHBondContact OG-OG 3.39Å; S164-I168 PolarHBondContact O-N 3.29Å
165P98.3Very high98.3Very high43 Ų4323.1 Ų23.128%0.27911%0.114SC..Hα-helixtrans-57.7-28.8177.124.8-34.1000112.7L161 I168 L169 P198L161-P165 HydrophobicContact CD2-CB 4.43Å; P165-I168 PolarHBondContact O-N 3.41Å; P165-L169 WeakPolarHBondContact O-CB 3.44Å; P165-L169 PolarHBondContact O-N 3.34Å; P165-P198 HydrophobicContact CB-CB 3.89Å
166E98.6Very high98.3Very high85 Ų8523.3 Ų23.340%0.39712%0.118SC..Hα-helixtrans-66.4-34.6174.368.7-73.2169.200113.4K135 S164 K170K135-E166 HydrophobicContact CB-CG 4.21Å; K135-E166 HydrophobicContact CD-CB 4.48Å; K135-E166 HydrophobicContact CD-CG 4.05Å; S164-E166 WeakPolarHBondContact CB-OE1 3.43Å; S164-E166 PolarHBondContact O-N 2.84Å; S164-E166 PolarHBondContact OG-OE1 2.71Å; E166-K170 WeakPolarHBondContact O-CB 3.33Å; E166-K170 PolarHBondContact O-N 3.03Å
167S98.9Very high98.2Very high0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-67.4-44.7173.4-70.10000111Y133 K135 S164 L169 K170 V171Y133-S167 WeakPolarHBondContact CE1-OG 3.2Å; K135-S167 WeakPolarHBondContact CB-OG 3.45Å; K135-S167 WeakPolarHBondContact CG-OG 3.44Å; S164-S167 WeakPolarHBondContact O-CB 3.25Å; S164-S167 PolarHBondContact O-N 2.85Å; S164-S167 VanDerWaalsContact OG-CB 3.23Å; S164-S167 WeakPolarHBondContact OG-CB 3.27Å; S164-S167 PolarHBondContact OG-OG 3.39Å; S167-L169 VanDerWaalsContact C-N 3.34Å; S167-L169 PolarHBondContact O-N 2.98Å; S167-K170 PolarHBondContact O-N 3.47Å; S167-V171 WeakPolarHBondContact O-CG2 3.4Å; S167-V171 PolarHBondContact O-N 2.86Å; S167-V171 VanDerWaalsContact O-N 3.13Å
168I98.9Very high98.2Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-59.2-49.6177.6-57.6-178.1000109.7I156 F160 L161 S164 P165 K170 V171 A172 F182 V202I156-I168 HydrophobicContact CD1-CB 4.44Å; I156-I168 HydrophobicContact CD1-CG1 4.26Å; I156-I168 HydrophobicContact CD1-CG2 4.2Å; I156-I168 HydrophobicContact CG2-CD1 3.93Å; I156-I168 HydrophobicContact CG2-CG1 3.99Å; F160-I168 HydrophobicContact CB-CD1 3.95Å; F160-I168 HydrophobicContact CD1-CD1 3.87Å; F160-I168 HydrophobicContact CD1-CG1 3.63Å; F160-I168 HydrophobicContact CE1-CG1 4.33Å; F160-I168 HydrophobicContact CG-CD1 4.33Å; L161-I168 HydrophobicContact CB-CD1 4.48Å; L161-I168 HydrophobicContact CD2-CD1 3.79Å; L161-I168 HydrophobicContact CG-CD1 3.96Å; S164-I168 PolarHBondContact O-N 3.29Å; P165-I168 PolarHBondContact O-N 3.41Å; I168-K170 VanDerWaalsContact C-N 3.31Å; I168-K170 PolarHBondContact O-N 2.81Å; I168-V171 PolarHBondContact O-N 3.46Å; I168-A172 VanDerWaalsContact O-CB 3.32Å; I168-A172 WeakPolarHBondContact O-CB 3.38Å; I168-A172 PolarHBondContact O-N 3.02Å; I168-F182 HydrophobicContact CG2-CZ 3.83Å; I168-V202 HydrophobicContact CB-CG2 4.31Å; I168-V202 HydrophobicContact CG2-CB 4.31Å; I168-V202 HydrophobicContact CG2-CG1 3.62Å; I168-V202 HydrophobicContact CG2-CG2 3.72Å
169L98.8Very high98.3Very high46 Ų4637 Ų3724%0.24119%0.187CC..Hα-helixtrans-62.8-37.7-178.4-171.463.2000112.1P165 S167 K173 Y205P165-L169 WeakPolarHBondContact O-CB 3.44Å; P165-L169 PolarHBondContact O-N 3.34Å; S167-L169 VanDerWaalsContact C-N 3.34Å; S167-L169 PolarHBondContact O-N 2.98Å; L169-K173 HydrophobicContact CD1-CG 4.44Å; L169-K173 HydrophobicContact CG-CD 4.25Å; L169-K173 WeakPolarHBondContact O-CB 3.15Å; L169-K173 VanDerWaalsContact O-CG 3.28Å; L169-K173 WeakPolarHBondContact O-CG 3.44Å; L169-K173 PolarHBondContact O-N 3.11Å; L169-Y205 HydrophobicContact CD1-CD2 3.97Å; L169-Y205 HydrophobicContact CD1-CE2 3.51Å
170K98.9Very high98.4Very high60 Ų6036.1 Ų36.126%0.26118%0.182SC..Hα-helixtrans-61-48.4175-170.1-170.3177.4-168.40111.3K135 L139 D140 W145 E166 S167 I168 H174K135-K170 HydrophobicContact CD-CB 4.44Å; K135-K170 HydrophobicContact CD-CD 4.17Å; L139-K170 HydrophobicContact CD2-CB 4.45Å; L139-K170 HydrophobicContact CD2-CD 4.09Å; D140-K170 WeakPolarHBondContact OD1-CD 3.29Å; D140-K170 WeakPolarHBondContact OD1-CE 3.46Å; D140-K170 IonicContact OD1-NZ 3.72Å; D140-K170 PolarHBondContact OD1-NZ 2.83Å; W145-K170 HydrophobicContact CE3-CD 4.19Å; W145-K170 HydrophobicContact CH2-CD 3.83Å; W145-K170 HydrophobicContact CH2-CG 3.71Å; W145-K170 HydrophobicContact CZ3-CD 3.56Å; W145-K170 VanDerWaalsContact CZ3-CE 3.43Å; W145-K170 HydrophobicContact CZ3-CG 3.9Å; E166-K170 WeakPolarHBondContact O-CB 3.33Å; E166-K170 PolarHBondContact O-N 3.03Å; S167-K170 PolarHBondContact O-N 3.47Å; I168-K170 VanDerWaalsContact C-N 3.31Å; I168-K170 PolarHBondContact O-N 2.81Å; K170-H174 PolarHBondContact O-N 3.14Å; K170-H174 VanDerWaalsContact O-N 3.09Å
171V98.9Very high98.4Very high5 Ų537.5 Ų37.53%0.0319%0.189CC..Hα-helixtrans-65.5-43.5179176.90000111.2M1 L139 W145 V148 Y154 I156 S167 I168 K173 H174 A175 F182M1-V171 HydrophobicContact SD-CG2 4.14Å; L139-V171 HydrophobicContact CD1-CG2 4.37Å; L139-V171 HydrophobicContact CD2-CG2 4.07Å; W145-V171 HydrophobicContact CZ3-CG2 4.3Å; V148-V171 HydrophobicContact CG1-CG1 4.32Å; V148-V171 HydrophobicContact CG1-CG2 4.24Å; Y154-V171 HydrophobicContact CD1-CG1 3.47Å; Y154-V171 VanDerWaalsContact CD1-CG1 3.47Å; Y154-V171 HydrophobicContact CD2-CG1 4.46Å; Y154-V171 HydrophobicContact CE1-CG1 3.97Å; Y154-V171 HydrophobicContact CG-CG1 3.76Å; I156-V171 HydrophobicContact CD1-CB 4.44Å; I156-V171 HydrophobicContact CD1-CG1 4.47Å; S167-V171 WeakPolarHBondContact O-CG2 3.4Å; S167-V171 PolarHBondContact O-N 2.86Å; S167-V171 VanDerWaalsContact O-N 3.13Å; I168-V171 PolarHBondContact O-N 3.46Å; V171-K173 PolarHBondContact O-N 2.94Å; V171-H174 PolarHBondContact O-N 3.5Å; V171-A175 WeakPolarHBondContact O-CB 3.32Å; V171-A175 PolarHBondContact O-N 3.06Å; V171-F182 HydrophobicContact CB-CE2 4.41Å; V171-F182 HydrophobicContact CG1-CD2 4.24Å; V171-F182 HydrophobicContact CG1-CE2 4.01Å
172A98.9Very high98.5Very high0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-65-40.6-178.500000112.4I168 A175 S176 F182 V202 Y205I168-A172 VanDerWaalsContact O-CB 3.32Å; I168-A172 WeakPolarHBondContact O-CB 3.38Å; I168-A172 PolarHBondContact O-N 3.02Å; A172-A175 PolarHBondContact O-N 3.31Å; A172-S176 WeakPolarHBondContact O-CB 3.19Å; A172-S176 PolarHBondContact O-N 3.42Å; A172-F182 HydrophobicContact CB-CD1 3.98Å; A172-F182 HydrophobicContact CB-CD2 3.91Å; A172-F182 HydrophobicContact CB-CE1 3.83Å; A172-F182 HydrophobicContact CB-CE2 3.76Å; A172-F182 HydrophobicContact CB-CG 4.03Å; A172-F182 HydrophobicContact CB-CZ 3.73Å; A172-V202 HydrophobicContact CB-CG1 4.41Å; A172-Y205 HydrophobicContact CB-CD2 4.3Å; A172-Y205 HydrophobicContact CB-CG 4Å
173K98.9Very high98.7Very high84 Ų8435.5 Ų35.537%0.36518%0.177SC..Hα-helixtrans-62.3-49172.2-76.1177.9175.6-172.30112L169 V171 A175 S176 E177 Y205L169-K173 HydrophobicContact CD1-CG 4.44Å; L169-K173 HydrophobicContact CG-CD 4.25Å; L169-K173 WeakPolarHBondContact O-CB 3.15Å; L169-K173 VanDerWaalsContact O-CG 3.28Å; L169-K173 WeakPolarHBondContact O-CG 3.44Å; L169-K173 PolarHBondContact O-N 3.11Å; V171-K173 PolarHBondContact O-N 2.94Å; K173-A175 VanDerWaalsContact C-N 3.28Å; K173-A175 PolarHBondContact O-N 2.95Å; K173-S176 PolarHBondContact O-N 2.92Å; K173-S176 VanDerWaalsContact O-N 3.17Å; K173-E177 WeakPolarHBondContact O-CB 3.19Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.5Å; K173-Y205 HydrophobicContact CB-CE1 4.48Å; K173-Y205 VanDerWaalsContact CE-OH 3.29Å; K173-Y205 WeakPolarHBondContact CE-OH 3.38Å; K173-Y205 HydrophobicContact CG-CD1 4.34Å; K173-Y205 HydrophobicContact CG-CE1 3.66Å; K173-Y205 HydrophobicContact CG-CE2 4.23Å
174H98.9Very high98.7Very high19 Ų1934.4 Ų34.49%0.08817%0.171CC..Hα-helixtrans-55.9-44.1175.917382.4000111.6W145 Y154 K170 V171 N178 K180W145-H174 HydrophobicContact CH2-CB 3.97Å; W145-H174 HydrophobicContact CZ2-CB 3.91Å; W145-H174 AromaticContact CZ2-CG 3.85Å; W145-H174 AromaticContact CZ2-ND1 3.85Å; Y154-H174 AromaticContact CZ-CD2 3.97Å; Y154-H174 PolarHBondContact OH-CD2 3.33Å; Y154-H174 VanDerWaalsContact OH-CD2 3.23Å; Y154-H174 PolarHBondContact OH-NE2 3.48Å; K170-H174 PolarHBondContact O-N 3.14Å; K170-H174 VanDerWaalsContact O-N 3.09Å; V171-H174 PolarHBondContact O-N 3.5Å; H174-N178 PolarHBondContact CE1-ND2 3.3Å; H174-N178 PolarHBondContact ND1-ND2 3.06Å; H174-N178 WeakPolarHBondContact O-CB 3.19Å; H174-N178 PolarHBondContact O-N 3.32Å; H174-N178 VanDerWaalsContact O-N 3.14Å; H174-N178 PolarHBondContact O-ND2 2.96Å; H174-K180 PolarHBondContact NE2-NZ 3.41Å; H174-K180 VanDerWaalsContact NE2-NZ 3.16Å
175A98.8Very high98.8Very high0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-60.4-48.1177.900000111.6Y154 V171 A172 K173 N178 N179 K180 F182Y154-A175 HydrophobicContact CD2-CB 3.54Å; Y154-A175 HydrophobicContact CE2-CB 3.57Å; V171-A175 WeakPolarHBondContact O-CB 3.32Å; V171-A175 PolarHBondContact O-N 3.06Å; A172-A175 PolarHBondContact O-N 3.31Å; K173-A175 VanDerWaalsContact C-N 3.28Å; K173-A175 PolarHBondContact O-N 2.95Å; A175-N178 CarbonylContact O-C 3.57Å; A175-N178 PolarHBondContact O-N 3.32Å; A175-N179 PolarHBondContact O-N 3.44Å; A175-K180 HydrophobicContact CB-CB 4.27Å; A175-K180 PolarHBondContact O-N 3.26Å; A175-F182 HydrophobicContact CB-CB 3.88Å; A175-F182 HydrophobicContact CB-CD2 4.4Å
176S98.7Very high98.8Very high20 Ų2032.9 Ų32.914%0.1416%0.16CC..Hα-helixtrans-60.9-49.1178.5-179.40000112.7A172 K173 N178 N179 N244A172-S176 WeakPolarHBondContact O-CB 3.19Å; A172-S176 PolarHBondContact O-N 3.42Å; K173-S176 PolarHBondContact O-N 2.92Å; K173-S176 VanDerWaalsContact O-N 3.17Å; S176-N178 PolarHBondContact O-N 2.88Å; S176-N179 PolarHBondContact O-N 2.98Å; S176-N244 WeakPolarHBondContact OG-CB 3.31Å
177E98.6Very high98.6Very high149 Ų14929.4 Ų29.470%0.69615%0.145SC*.Hα-helixtrans-59.7-34.5179.5-72.6166.9-178.500112.4K173K173-E177 WeakPolarHBondContact O-CB 3.19Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.5Å
178N98.6Very high98.1Very high90 Ų9030 Ų3048%0.48115%0.15SC..THydrogen-bonded Turntrans-100.910.2-177.5-65.6-83.5000113.3H174 A175 S176 K180H174-N178 PolarHBondContact CE1-ND2 3.3Å; H174-N178 PolarHBondContact ND1-ND2 3.06Å; H174-N178 WeakPolarHBondContact O-CB 3.19Å; H174-N178 PolarHBondContact O-N 3.32Å; H174-N178 VanDerWaalsContact O-N 3.14Å; H174-N178 PolarHBondContact O-ND2 2.96Å; A175-N178 CarbonylContact O-C 3.57Å; A175-N178 PolarHBondContact O-N 3.32Å; S176-N178 PolarHBondContact O-N 2.88Å; N178-K180 HydrophobicContact CB-CD 4.25Å; N178-K180 HydrophobicContact CB-CG 4.22Å; N178-K180 PolarHBondContact O-N 3.32Å
179N98.6Very high97.8Very high54 Ų5431.9 Ų31.929%0.28916%0.163SC..THydrogen-bonded Turntrans5234.9-178.1-166.742.8000114.2A175 S176 N244 K246 R247A175-N179 PolarHBondContact O-N 3.44Å; S176-N179 PolarHBondContact O-N 2.98Å; N179-N244 PolarHBondContact OD1-ND2 2.92Å; N179-K246 HydrophobicContact CB-CD 4.49Å; N179-R247 PolarHBondContact O-NE 2.89Å; N179-R247 PolarHBondContact O-NH2 2.95Å; N179-R247 PolarHBondContact OD1-NE 3.48Å; N179-R247 VanDerWaalsContact OD1-NE 3.12Å
180K98.6Very high97.3Very high37 Ų3732.2 Ų32.216%0.16116%0.162CC..  trans-88.6167.5171.5-63.6174.1172.3-175.20110.2E149 A151 Y154 H174 A175 N178E149-K180 PolarHBondContact O-NZ 3.33Å; A151-K180 VanDerWaalsContact O-CD 3.26Å; A151-K180 WeakPolarHBondContact O-CD 3.49Å; A151-K180 VanDerWaalsContact O-CE 3.23Å; A151-K180 WeakPolarHBondContact O-CE 3.39Å; A151-K180 PolarHBondContact O-NZ 3.46Å; Y154-K180 HydrophobicContact CD2-CB 4.45Å; Y154-K180 HydrophobicContact CE2-CB 3.77Å; Y154-K180 HydrophobicContact CE2-CD 3.69Å; Y154-K180 HydrophobicContact CE2-CG 4.42Å; Y154-K180 VanDerWaalsContact OH-CD 3.24Å; Y154-K180 WeakPolarHBondContact OH-CD 3.21Å; Y154-K180 PolarHBondContact OH-NZ 3.12Å; H174-K180 PolarHBondContact NE2-NZ 3.41Å; H174-K180 VanDerWaalsContact NE2-NZ 3.16Å; A175-K180 HydrophobicContact CB-CB 4.27Å; A175-K180 PolarHBondContact O-N 3.26Å; N178-K180 HydrophobicContact CB-CD 4.25Å; N178-K180 HydrophobicContact CB-CG 4.22Å; N178-K180 PolarHBondContact O-N 3.32Å
181I98.9Very high97.2Very high30 Ų3029.4 Ų29.415%0.15415%0.15CC..EExtended strand (participates in β ladder)trans-92.2120.6-175.4-61.3166.4000109.7K152 V153 Y154 D207 I208 L299K152-I181 PolarHBondContact O-N 3.03Å; K152-I181 VanDerWaalsContact O-N 3.11Å; V153-I181 CarbonylContact C-O 3.53Å; V153-I181 WeakPolarHBondContact CA-O 3.31Å; V153-I181 HydrophobicContact CG1-CG2 4.43Å; V153-I181 HydrophobicContact CG2-CB 4.3Å; V153-I181 HydrophobicContact CG2-CD1 4.26Å; Y154-I181 WeakPolarHBondContact CD2-O 3.32Å; Y154-I181 PolarHBondContact N-O 3.19Å; I181-D207 WeakPolarHBondContact CA-OD2 3.43Å; I181-D207 HydrophobicContact CG2-CB 4.14Å; I181-I208 HydrophobicContact CG2-CD1 3.96Å; I181-I208 HydrophobicContact CG2-CG1 4.14Å; I181-L299 HydrophobicContact CD1-CD1 4.23Å; I181-L299 HydrophobicContact CG2-CD2 4.32Å
182F98.9Very high97.1Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-105.8116.4172.2-172.2-96.1000111.4Y154 I156 I168 V171 A172 A175 M184 V202 V206 D207 I208Y154-F182 HydrophobicContact CG-CD2 4.35Å; I156-F182 HydrophobicContact CD1-CE2 3.85Å; I156-F182 HydrophobicContact CD1-CZ 4.04Å; I156-F182 HydrophobicContact CG1-CE2 4.23Å; I156-F182 HydrophobicContact CG1-CZ 4.35Å; I168-F182 HydrophobicContact CG2-CZ 3.83Å; V171-F182 HydrophobicContact CB-CE2 4.41Å; V171-F182 HydrophobicContact CG1-CD2 4.24Å; V171-F182 HydrophobicContact CG1-CE2 4.01Å; A172-F182 HydrophobicContact CB-CD1 3.98Å; A172-F182 HydrophobicContact CB-CD2 3.91Å; A172-F182 HydrophobicContact CB-CE1 3.83Å; A172-F182 HydrophobicContact CB-CE2 3.76Å; A172-F182 HydrophobicContact CB-CG 4.03Å; A172-F182 HydrophobicContact CB-CZ 3.73Å; A175-F182 HydrophobicContact CB-CB 3.88Å; A175-F182 HydrophobicContact CB-CD2 4.4Å; F182-M184 HydrophobicContact CE1-CB 4.25Å; F182-V202 HydrophobicContact CE1-CG1 3.71Å; F182-V202 HydrophobicContact CZ-CG1 4.17Å; F182-V206 HydrophobicContact CD1-CG2 4.06Å; F182-V206 HydrophobicContact CE1-CG2 4.07Å; F182-D207 PolarHBondContact N-OD2 3.46Å; F182-D207 PolarHBondContact O-N 2.92Å; F182-I208 PolarHBondContact O-N 3.28Å
183C98.9Very high96.9Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-106.2143.3178.5-48.40000111.2Y154 Y155 I156 I208 F210Y154-C183 WeakPolarHBondContact O-CA 3.32Å; Y154-C183 WeakPolarHBondContact O-CB 3.43Å; Y154-C183 PolarHBondContact O-N 3.34Å; Y154-C183 PolarHBondContact O-SG 3.22Å; Y155-C183 WeakPolarHBondContact CA-O 3.34Å; Y155-C183 HydrophobicContact CD2-CB 3.96Å; I156-C183 PolarHBondContact N-O 2.88Å; C183-I208 CarbonylContact C-O 3.45Å; C183-I208 VanDerWaalsContact CA-O 3.24Å; C183-I208 WeakPolarHBondContact CA-O 3.4Å; C183-I208 HydrophobicContact CB-CB 4.28Å; C183-F210 HydrophobicContact CB-CD2 4.49Å; C183-F210 HydrophobicContact CB-CE2 3.92Å
184M98.8Very high96.7Very high0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-140.1153.6176.8-171.2167.8-171.200111.1I156 L161 F182 L199 V202 V206 I208 L209 F210I156-M184 WeakPolarHBondContact O-CA 3.43Å; I156-M184 WeakPolarHBondContact O-CG 3.26Å; L161-M184 HydrophobicContact CD1-CE 3.38Å; L161-M184 HydrophobicContact CD2-CE 3.93Å; L161-M184 HydrophobicContact CG-CE 3.59Å; F182-M184 HydrophobicContact CE1-CB 4.25Å; M184-L199 HydrophobicContact CE-CD1 3.85Å; M184-L199 HydrophobicContact SD-CD1 4.15Å; M184-V202 HydrophobicContact CE-CG1 4.48Å; M184-V202 HydrophobicContact SD-CB 4.28Å; M184-V202 HydrophobicContact SD-CG1 3.61Å; M184-V206 HydrophobicContact CB-CG1 4.14Å; M184-V206 HydrophobicContact CB-CG2 3.82Å; M184-V206 HydrophobicContact SD-CG2 4.08Å; M184-I208 PolarHBondContact N-O 3.45Å; M184-L209 HydrophobicContact CB-CD1 4.32Å; M184-L209 CarbonylContact O-C 3.57Å; M184-L209 WeakPolarHBondContact O-CA 3.22Å; M184-F210 PolarHBondContact O-N 3.02Å
185N98.8Very high96.6Very high12 Ų1238.2 Ų38.26%0.06419%0.189CC..EExtended strand (participates in β ladder)trans-113142.5172.6-161.2-46.9000110.2Y155 I156 G158 S187 F210Y155-N185 HydrophobicContact CE2-CB 3.96Å; Y155-N185 WeakPolarHBondContact OH-CB 3.34Å; Y155-N185 PolarHBondContact OH-ND2 3.18Å; I156-N185 PolarHBondContact O-N 3.16Å; G158-N185 WeakPolarHBondContact CA-O 3.47Å; G158-N185 PolarHBondContact N-O 3.21Å; N185-S187 PolarHBondContact O-N 2.73Å; N185-S187 PolarHBondContact O-OG 3.36Å; N185-S187 WeakPolarHBondContact OD1-CA 3.23Å; N185-S187 PolarHBondContact OD1-N 2.65Å; N185-F210 CarbonylContact C-O 3.5Å; N185-F210 WeakPolarHBondContact CA-O 3.46Å; N185-F210 HydrophobicContact CB-CB 4.25Å; N185-F210 PolarHBondContact OD1-O 2.73Å
186L98.3Very high96.6Very high0 Ų042.3 Ų42.30%021%0.207CC..  trans-64-31.1170.3-68.9178.6000111.7A188 L199 L209 F210 E215 F219 F253L186-A188 PolarHBondContact O-N 3.48Å; L186-L199 HydrophobicContact CD2-CD2 4.25Å; L186-L209 HydrophobicContact CD2-CD1 4.15Å; L186-L209 HydrophobicContact CD2-CD2 4.17Å; L186-L209 HydrophobicContact CG-CD1 4.28Å; L186-L209 HydrophobicContact CG-CD2 4.31Å; L186-L209 HydrophobicContact CG-CG 4.39Å; L186-F210 PolarHBondContact N-O 3.39Å; L186-E215 HydrophobicContact CB-CB 3.85Å; L186-E215 HydrophobicContact CB-CG 4.34Å; L186-E215 HydrophobicContact CD1-CB 4.03Å; L186-F219 HydrophobicContact CD1-CB 4.1Å; L186-F219 HydrophobicContact CD1-CG 4.4Å; L186-F219 HydrophobicContact CD2-CB 4.42Å; L186-F219 HydrophobicContact CD2-CD2 3.9Å; L186-F219 HydrophobicContact CD2-CE2 4.33Å; L186-F219 HydrophobicContact CD2-CG 4.12Å; L186-F253 HydrophobicContact CD1-CE1 3.84Å; L186-F253 HydrophobicContact CD1-CZ 4.32Å
187S94.3Very high96.5Very high12 Ų1247.5 Ų47.58%0.08423%0.229CC..  trans66.3-42169.7-67.70000117.5A157 G158 F159 N185 E215A157-S187 WeakPolarHBondContact CB-OG 3.38Å; G158-S187 PolarHBondContact N-OG 2.77Å; F159-S187 WeakPolarHBondContact CZ-O 3.5Å; N185-S187 PolarHBondContact O-N 2.73Å; N185-S187 PolarHBondContact O-OG 3.36Å; N185-S187 WeakPolarHBondContact OD1-CA 3.23Å; N185-S187 PolarHBondContact OD1-N 2.65Å; S187-E215 PolarHBondContact N-OE2 3.43Å; S187-E215 VanDerWaalsContact O-OE1 3.06Å
188A89.8Confident96.5Very high12 Ų1241.8 Ų41.810%0.09921%0.205CC..  trans-164.4153.7174.200000111.5F159 L186 F190 I191F159-A188 HydrophobicContact CE1-CB 3.62Å; F159-A188 HydrophobicContact CZ-CB 4.02Å; L186-A188 PolarHBondContact O-N 3.48Å; A188-F190 HydrophobicContact CB-CD1 3.45Å; A188-F190 VanDerWaalsContact CB-CD1 3.45Å; A188-F190 HydrophobicContact CB-CE1 3.56Å; A188-F190 HydrophobicContact CB-CG 4.39Å; A188-F190 PolarHBondContact O-N 2.75Å; A188-F190 VanDerWaalsContact O-N 3.14Å; A188-I191 HydrophobicContact CB-CG1 4.45Å; A188-I191 WeakPolarHBondContact O-CB 3.27Å; A188-I191 PolarHBondContact O-N 2.78Å
189P91.9Very high96.5Very high40 Ų4037.5 Ų37.526%0.2618%0.182SC..Hα-helixtrans-50.6-39.5174.7-32.239.4000114.1I191 S192 Q193 T214 T218P189-I191 PolarHBondContact O-N 3.14Å; P189-S192 PolarHBondContact O-N 3Å; P189-S192 VanDerWaalsContact O-N 3.13Å; P189-Q193 WeakPolarHBondContact O-CG 3.25Å; P189-Q193 PolarHBondContact O-N 3.44Å; P189-Q193 VanDerWaalsContact O-N 3.08Å; P189-T214 HydrophobicContact CG-CG2 3.83Å; P189-T218 HydrophobicContact CB-CG2 3.96Å; P189-T218 WeakPolarHBondContact O-CG2 3.31Å
190F89.1Confident96.5Very high53 Ų5337.6 Ų37.623%0.23218%0.181CC..Hα-helixtrans-65.3-24.1-176.984.1-104.2000112.9F159 T162 A188 Q193 F194 F195F159-F190 HydrophobicContact CD1-CE1 4.07Å; F159-F190 AromaticContact CD1-CZ 3.78Å; F159-F190 HydrophobicContact CD1-CZ 3.78Å; F159-F190 AromaticContact CE1-CE1 3.65Å; F159-F190 HydrophobicContact CE1-CE1 3.65Å; F159-F190 AromaticContact CE1-CZ 3.87Å; F159-F190 HydrophobicContact CE1-CZ 3.87Å; T162-F190 HydrophobicContact CG2-CE2 3.95Å; A188-F190 HydrophobicContact CB-CD1 3.45Å; A188-F190 VanDerWaalsContact CB-CD1 3.45Å; A188-F190 HydrophobicContact CB-CE1 3.56Å; A188-F190 HydrophobicContact CB-CG 4.39Å; A188-F190 PolarHBondContact O-N 2.75Å; A188-F190 VanDerWaalsContact O-N 3.14Å; F190-Q193 PolarHBondContact O-N 3.37Å; F190-F194 HydrophobicContact CB-CD2 3.79Å; F190-F194 HydrophobicContact CB-CE2 3.95Å; F190-F194 WeakPolarHBondContact O-CD2 3.22Å; F190-F194 PolarHBondContact O-N 2.92Å; F190-F195 HydrophobicContact CD2-CD2 4.22Å; F190-F195 HydrophobicContact CD2-CE2 4.15Å; F190-F195 HydrophobicContact CE2-CD2 4.32Å; F190-F195 HydrophobicContact CE2-CE2 4.11Å
191I95.7Very high96.5Very high0 Ų041.3 Ų41.30%020%0.198CC..Hα-helixtrans-66.2-47175-61.5-63.6000109.6F159 L161 T162 A188 P189 Q193 F195 K196 L199F159-I191 HydrophobicContact CD1-CD1 4.34Å; F159-I191 HydrophobicContact CD1-CG1 4.44Å; L161-I191 HydrophobicContact CD1-CG2 3.69Å; T162-I191 HydrophobicContact CG2-CD1 3.65Å; A188-I191 HydrophobicContact CB-CG1 4.45Å; A188-I191 WeakPolarHBondContact O-CB 3.27Å; A188-I191 PolarHBondContact O-N 2.78Å; P189-I191 PolarHBondContact O-N 3.14Å; I191-Q193 VanDerWaalsContact C-N 3.31Å; I191-Q193 PolarHBondContact O-N 2.91Å; I191-F195 HydrophobicContact CD1-CD2 4.28Å; I191-F195 HydrophobicContact CG2-CB 4.38Å; I191-F195 CarbonylContact O-C 3.57Å; I191-F195 WeakPolarHBondContact O-CA 3.34Å; I191-F195 WeakPolarHBondContact O-CB 3.47Å; I191-F195 PolarHBondContact O-N 3.44Å; I191-K196 PolarHBondContact O-N 2.87Å; I191-L199 HydrophobicContact CG2-CD2 4.43Å
192S97.1Very high96.5Very high2 Ų240 Ų401%0.01419%0.191CC..Hα-helixtrans-64.6-34.8175.5-63.80000112.6P189 K196P189-S192 PolarHBondContact O-N 3Å; P189-S192 VanDerWaalsContact O-N 3.13Å; S192-K196 WeakPolarHBondContact O-CB 3.37Å
193Q95.3Very high96.5Very high79 Ų7940 Ų4037%0.36919%0.191SC..Hα-helixtrans-76.5-48.8-178.2-68.6166.9-18.500113.2P189 F190 I191 T218 E222P189-Q193 WeakPolarHBondContact O-CG 3.25Å; P189-Q193 PolarHBondContact O-N 3.44Å; P189-Q193 VanDerWaalsContact O-N 3.08Å; F190-Q193 PolarHBondContact O-N 3.37Å; I191-Q193 VanDerWaalsContact C-N 3.31Å; I191-Q193 PolarHBondContact O-N 2.91Å; Q193-T218 HydrophobicContact CG-CG2 3.69Å; Q193-E222 HydrophobicContact CG-CG 4.33Å
194F94.6Very high96.5Very high151 Ų15140.9 Ų40.966%0.66220%0.198SC*.Hα-helixtrans-109.3-18-168.6-52.3-61.8000113.6F190F190-F194 HydrophobicContact CB-CD2 3.79Å; F190-F194 HydrophobicContact CB-CE2 3.95Å; F190-F194 WeakPolarHBondContact O-CD2 3.22Å; F190-F194 PolarHBondContact O-N 2.92Å
195F96.8Very high96.5Very high61 Ų6142.6 Ų42.627%0.26821%0.205SC..SBendtrans-119.425.4-179.3-63-91.5000111.9T162 F190 I191 E197 P198 L199T162-F195 HydrophobicContact CG2-CD1 4.17Å; T162-F195 HydrophobicContact CG2-CD2 3.93Å; T162-F195 HydrophobicContact CG2-CE1 3.87Å; T162-F195 HydrophobicContact CG2-CE2 3.61Å; T162-F195 HydrophobicContact CG2-CG 4.2Å; T162-F195 HydrophobicContact CG2-CZ 3.57Å; F190-F195 HydrophobicContact CD2-CD2 4.22Å; F190-F195 HydrophobicContact CD2-CE2 4.15Å; F190-F195 HydrophobicContact CE2-CD2 4.32Å; F190-F195 HydrophobicContact CE2-CE2 4.11Å; I191-F195 HydrophobicContact CD1-CD2 4.28Å; I191-F195 HydrophobicContact CG2-CB 4.38Å; I191-F195 CarbonylContact O-C 3.57Å; I191-F195 WeakPolarHBondContact O-CA 3.34Å; I191-F195 WeakPolarHBondContact O-CB 3.47Å; I191-F195 PolarHBondContact O-N 3.44Å; F195-E197 VanDerWaalsContact C-N 3.32Å; F195-E197 PolarHBondContact O-N 3.3Å; F195-P198 HydrophobicContact CB-CG 4.02Å; F195-P198 HydrophobicContact CD1-CG 4.32Å; F195-P198 WeakPolarHBondContact O-CD 3.5Å; F195-P198 VanDerWaalsContact O-CG 3.25Å; F195-P198 WeakPolarHBondContact O-CG 3.38Å; F195-L199 VanDerWaalsContact O-CB 3.24Å; F195-L199 WeakPolarHBondContact O-CB 3.32Å; F195-L199 PolarHBondContact O-N 3.28Å
196K97.7Very high96.5Very high86 Ų8642 Ų4237%0.37420%0.202SC..Hα-helixtrans-52.3-46.4177.1-178.3176.8166.8176.60112.9I191 S192 L199 M200 E222I191-K196 PolarHBondContact O-N 2.87Å; S192-K196 WeakPolarHBondContact O-CB 3.37Å; K196-L199 PolarHBondContact O-N 3.45Å; K196-M200 HydrophobicContact CG-CG 4.12Å; K196-M200 WeakPolarHBondContact O-CB 3.2Å; K196-M200 VanDerWaalsContact O-CG 3.29Å; K196-M200 WeakPolarHBondContact O-CG 3.34Å; K196-M200 PolarHBondContact O-N 3.43Å; K196-E222 HydrophobicContact CD-CB 4.48Å; K196-E222 PolarHBondContact NZ-O 2.89Å
197E98Very high96.5Very high130 Ų13042.2 Ų42.261%0.60720%0.203SC*.Hα-helixtrans-60.6-55.6-177-174-168.6159.300112.3F195 L199 M200 K201F195-E197 VanDerWaalsContact C-N 3.32Å; F195-E197 PolarHBondContact O-N 3.3Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.99Å; E197-M200 PolarHBondContact O-N 3.39Å; E197-K201 WeakPolarHBondContact O-CG 3.4Å; E197-K201 PolarHBondContact O-N 3.43Å; E197-K201 VanDerWaalsContact O-N 3.11Å; E197-K201 WeakPolarHBondContact OE1-CE 3.49Å; E197-K201 IonicContact OE1-NZ 2.99Å; E197-K201 PolarHBondContact OE1-NZ 3.04Å
198P98.2Very high96.7Very high28 Ų2842.1 Ų42.118%0.18220%0.201CC..Hα-helixtrans-65.4-34.817625.8-34.5000112.6L161 P165 F195 M200 K201 V202L161-P198 HydrophobicContact CD2-CB 4.04Å; P165-P198 HydrophobicContact CB-CB 3.89Å; F195-P198 HydrophobicContact CB-CG 4.02Å; F195-P198 HydrophobicContact CD1-CG 4.32Å; F195-P198 WeakPolarHBondContact O-CD 3.5Å; F195-P198 VanDerWaalsContact O-CG 3.25Å; F195-P198 WeakPolarHBondContact O-CG 3.38Å; P198-M200 PolarHBondContact O-N 3.37Å; P198-K201 PolarHBondContact O-N 3.23Å; P198-V202 WeakPolarHBondContact O-CG2 3.15Å; P198-V202 PolarHBondContact O-N 2.83Å; P198-V202 VanDerWaalsContact O-N 3.15Å
199L98.6Very high97.2Very high1 Ų141.6 Ų41.61%0.00520%0.197CC..Hα-helixtrans-57.2-49.5173.9175.961.9000111.4L161 M184 L186 I191 F195 K196 E197 K201 V202 M203 F219L161-L199 HydrophobicContact CD1-CB 3.78Å; L161-L199 HydrophobicContact CD1-CD1 3.93Å; L161-L199 HydrophobicContact CD1-CG 4.44Å; M184-L199 HydrophobicContact CE-CD1 3.85Å; M184-L199 HydrophobicContact SD-CD1 4.15Å; L186-L199 HydrophobicContact CD2-CD2 4.25Å; I191-L199 HydrophobicContact CG2-CD2 4.43Å; F195-L199 VanDerWaalsContact O-CB 3.24Å; F195-L199 WeakPolarHBondContact O-CB 3.32Å; F195-L199 PolarHBondContact O-N 3.28Å; K196-L199 PolarHBondContact O-N 3.45Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.99Å; L199-K201 PolarHBondContact O-N 3.24Å; L199-V202 PolarHBondContact O-N 3.07Å; L199-M203 HydrophobicContact CD1-CE 4.14Å; L199-M203 HydrophobicContact CG-CE 4.45Å; L199-M203 WeakPolarHBondContact O-CB 3.3Å; L199-M203 PolarHBondContact O-N 3.2Å; L199-F219 HydrophobicContact CD2-CD2 3.85Å; L199-F219 HydrophobicContact CD2-CE2 3.71Å; L199-F219 HydrophobicContact CG-CE2 4.4Å
200M98.6Very high97.5Very high55 Ų5539.8 Ų39.827%0.27119%0.185SC..Hα-helixtrans-70.8-30.3-177.6-69.1-53.1-61.700113.1K196 E197 P198 V202 M203 F219 L223 L240K196-M200 HydrophobicContact CG-CG 4.12Å; K196-M200 WeakPolarHBondContact O-CB 3.2Å; K196-M200 VanDerWaalsContact O-CG 3.29Å; K196-M200 WeakPolarHBondContact O-CG 3.34Å; K196-M200 PolarHBondContact O-N 3.43Å; E197-M200 PolarHBondContact O-N 3.39Å; P198-M200 PolarHBondContact O-N 3.37Å; M200-V202 VanDerWaalsContact C-N 3.31Å; M200-M203 HydrophobicContact CE-CB 4.39Å; M200-M203 HydrophobicContact CE-CG 4.37Å; M200-M203 PolarHBondContact O-N 2.87Å; M200-M203 HydrophobicContact SD-CB 4.27Å; M200-M203 HydrophobicContact SD-CG 4.43Å; M200-F219 HydrophobicContact SD-CE2 3.93Å; M200-F219 HydrophobicContact SD-CZ 4.01Å; M200-L223 HydrophobicContact CE-CD1 4.25Å; M200-L223 HydrophobicContact CE-CD2 4.27Å; M200-L223 HydrophobicContact CG-CD2 4.29Å; M200-L223 HydrophobicContact SD-CD1 4.11Å; M200-L223 HydrophobicContact SD-CD2 3.86Å; M200-L240 HydrophobicContact CE-CD1 4.23Å; M200-L240 HydrophobicContact CE-CD2 4.44Å
201K98.4Very high97.9Very high116 Ų11637.5 Ų37.550%0.50418%0.176SC..Hα-helixtrans-62.4-39.6170.5-73.8175.7-174.31690111.8E197 P198 L199 Y205E197-K201 WeakPolarHBondContact O-CG 3.4Å; E197-K201 PolarHBondContact O-N 3.43Å; E197-K201 VanDerWaalsContact O-N 3.11Å; E197-K201 WeakPolarHBondContact OE1-CE 3.49Å; E197-K201 IonicContact OE1-NZ 2.99Å; E197-K201 PolarHBondContact OE1-NZ 3.04Å; P198-K201 PolarHBondContact O-N 3.23Å; L199-K201 PolarHBondContact O-N 3.24Å; K201-Y205 WeakPolarHBondContact O-CE2 3.36Å
202V98.7Very high98Very high2 Ų239.7 Ų39.71%0.01219%0.188CC..Hα-helixtrans-79-33177.91770000111.6L161 I168 A172 F182 M184 P198 L199 M200 A204 Y205 V206L161-V202 HydrophobicContact CD2-CG2 4.11Å; I168-V202 HydrophobicContact CB-CG2 4.31Å; I168-V202 HydrophobicContact CG2-CB 4.31Å; I168-V202 HydrophobicContact CG2-CG1 3.62Å; I168-V202 HydrophobicContact CG2-CG2 3.72Å; A172-V202 HydrophobicContact CB-CG1 4.41Å; F182-V202 HydrophobicContact CE1-CG1 3.71Å; F182-V202 HydrophobicContact CZ-CG1 4.17Å; M184-V202 HydrophobicContact CE-CG1 4.48Å; M184-V202 HydrophobicContact SD-CB 4.28Å; M184-V202 HydrophobicContact SD-CG1 3.61Å; P198-V202 WeakPolarHBondContact O-CG2 3.15Å; P198-V202 PolarHBondContact O-N 2.83Å; P198-V202 VanDerWaalsContact O-N 3.15Å; L199-V202 PolarHBondContact O-N 3.07Å; M200-V202 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 3.37Å; V202-Y205 WeakPolarHBondContact O-CB 3.5Å; V202-Y205 PolarHBondContact O-N 2.81Å; V202-V206 HydrophobicContact CG1-CG2 4.29Å
203M98.8Very high98Very high1 Ų143.1 Ų43.11%0.00520%0.204CC..Hα-helixtrans-52.4-35.4-176.3-173.458.367.900113L199 M200 Y205 V206 L209 F219 L240 R249L199-M203 HydrophobicContact CD1-CE 4.14Å; L199-M203 HydrophobicContact CG-CE 4.45Å; L199-M203 WeakPolarHBondContact O-CB 3.3Å; L199-M203 PolarHBondContact O-N 3.2Å; M200-M203 HydrophobicContact CE-CB 4.39Å; M200-M203 HydrophobicContact CE-CG 4.37Å; M200-M203 PolarHBondContact O-N 2.87Å; M200-M203 HydrophobicContact SD-CB 4.27Å; M200-M203 HydrophobicContact SD-CG 4.43Å; M203-Y205 PolarHBondContact O-N 3.44Å; M203-V206 PolarHBondContact O-N 3.17Å; M203-V206 HydrophobicContact SD-CB 4.18Å; M203-V206 HydrophobicContact SD-CG2 4.31Å; M203-L209 HydrophobicContact CE-CD1 3.83Å; M203-L209 HydrophobicContact CE-CD2 3.74Å; M203-L209 HydrophobicContact CE-CG 4.41Å; M203-L209 HydrophobicContact SD-CD1 4.43Å; M203-L209 HydrophobicContact SD-CD2 4.18Å; M203-F219 HydrophobicContact CE-CE2 4.08Å; M203-F219 HydrophobicContact CE-CZ 3.77Å; M203-L240 HydrophobicContact CG-CD1 3.95Å; M203-L240 HydrophobicContact SD-CD1 4.49Å; M203-R249 PolarHBondContact O-NH2 3Å
204A98.4Very high98Very high18 Ų1843.1 Ų43.115%0.14921%0.209CC..THydrogen-bonded Turntrans-58.8-21177.300000113.7V202 K242 E243V202-A204 PolarHBondContact O-N 3.37Å; A204-K242 CarbonylContact O-C 3.51Å; A204-K242 VanDerWaalsContact O-CA 3.3Å; A204-K242 WeakPolarHBondContact O-CA 3.22Å; A204-K242 WeakPolarHBondContact O-CG 3.37Å; A204-E243 HydrophobicContact CB-CG 3.9Å; A204-E243 PolarHBondContact O-N 2.91Å
205Y98.9Very high98.1Very high35 Ų3536.6 Ų36.614%0.13718%0.181CC..THydrogen-bonded Turntrans-103.3-7.9179.6-56.8-80.4000113.5L169 A172 K173 K201 V202 M203 D207 E243L169-Y205 HydrophobicContact CD1-CD2 3.97Å; L169-Y205 HydrophobicContact CD1-CE2 3.51Å; A172-Y205 HydrophobicContact CB-CD2 4.3Å; A172-Y205 HydrophobicContact CB-CG 4Å; K173-Y205 HydrophobicContact CB-CE1 4.48Å; K173-Y205 VanDerWaalsContact CE-OH 3.29Å; K173-Y205 WeakPolarHBondContact CE-OH 3.38Å; K173-Y205 HydrophobicContact CG-CD1 4.34Å; K173-Y205 HydrophobicContact CG-CE1 3.66Å; K173-Y205 HydrophobicContact CG-CE2 4.23Å; K201-Y205 WeakPolarHBondContact O-CE2 3.36Å; V202-Y205 WeakPolarHBondContact O-CB 3.5Å; V202-Y205 PolarHBondContact O-N 2.81Å; M203-Y205 PolarHBondContact O-N 3.44Å; Y205-D207 PolarHBondContact O-N 3.4Å; Y205-E243 HydrophobicContact CD1-CB 4.01Å; Y205-E243 HydrophobicContact CD1-CG 4.01Å; Y205-E243 HydrophobicContact CE1-CB 3.91Å; Y205-E243 HydrophobicContact CE1-CG 3.61Å
206V98.9Very high98.2Very high0 Ų033.7 Ų33.70%017%0.168CC..  trans-74.2117-175.6179.60000110.7F182 M184 V202 M203 I208 L209 K242 R249F182-V206 HydrophobicContact CD1-CG2 4.06Å; F182-V206 HydrophobicContact CE1-CG2 4.07Å; M184-V206 HydrophobicContact CB-CG1 4.14Å; M184-V206 HydrophobicContact CB-CG2 3.82Å; M184-V206 HydrophobicContact SD-CG2 4.08Å; V202-V206 HydrophobicContact CG1-CG2 4.29Å; M203-V206 PolarHBondContact O-N 3.17Å; M203-V206 HydrophobicContact SD-CB 4.18Å; M203-V206 HydrophobicContact SD-CG2 4.31Å; V206-I208 VanDerWaalsContact CG1-C 3.44Å; V206-I208 VanDerWaalsContact CG1-O 3.23Å; V206-I208 WeakPolarHBondContact CG1-O 3.2Å; V206-L209 HydrophobicContact CG1-CB 3.93Å; V206-L209 HydrophobicContact CG1-CD1 4.3Å; V206-K242 WeakPolarHBondContact O-CE 3.21Å; V206-R249 PolarHBondContact O-NE 3.37Å
207D98.8Very high98.2Very high5 Ų531.4 Ų31.43%0.02717%0.165CC..SBendtrans-83.3-40.2171.4-63.9-60.5000111.3I181 F182 Y205 K242 R247 R249 L250I181-D207 WeakPolarHBondContact CA-OD2 3.43Å; I181-D207 HydrophobicContact CG2-CB 4.14Å; F182-D207 PolarHBondContact N-OD2 3.46Å; F182-D207 PolarHBondContact O-N 2.92Å; Y205-D207 PolarHBondContact O-N 3.4Å; D207-K242 VanDerWaalsContact OD1-CE 3.26Å; D207-K242 WeakPolarHBondContact OD1-CE 3.44Å; D207-K242 IonicContact OD1-NZ 3.35Å; D207-K242 PolarHBondContact OD1-NZ 2.81Å; D207-R247 WeakPolarHBondContact OD1-CB 3.45Å; D207-R247 WeakPolarHBondContact OD1-CD 3.17Å; D207-R249 CarbonylContact O-C 3.54Å; D207-R249 WeakPolarHBondContact O-CA 3.25Å; D207-L250 PolarHBondContact O-N 3.3Å
208I98.9Very high98.3Very high10 Ų1026.1 Ų26.15%0.05114%0.142CC..EExtended strand (participates in β ladder)trans-128.8117.9177.8-49.2-178.2000109.6I181 F182 C183 M184 V206 F210 L250 V252 F295 L299I181-I208 HydrophobicContact CG2-CD1 3.96Å; I181-I208 HydrophobicContact CG2-CG1 4.14Å; F182-I208 PolarHBondContact O-N 3.28Å; C183-I208 CarbonylContact C-O 3.45Å; C183-I208 VanDerWaalsContact CA-O 3.24Å; C183-I208 WeakPolarHBondContact CA-O 3.4Å; C183-I208 HydrophobicContact CB-CB 4.28Å; M184-I208 PolarHBondContact N-O 3.45Å; V206-I208 VanDerWaalsContact CG1-C 3.44Å; V206-I208 VanDerWaalsContact CG1-O 3.23Å; V206-I208 WeakPolarHBondContact CG1-O 3.2Å; I208-F210 HydrophobicContact CB-CE2 4.36Å; I208-F210 HydrophobicContact CG2-CD2 4.3Å; I208-F210 HydrophobicContact CG2-CE1 4.03Å; I208-F210 HydrophobicContact CG2-CE2 3.7Å; I208-F210 HydrophobicContact CG2-CZ 3.53Å; I208-L250 CarbonylContact C-O 3.56Å; I208-L250 VanDerWaalsContact CA-O 3.3Å; I208-L250 WeakPolarHBondContact CA-O 3.3Å; I208-L250 HydrophobicContact CD1-CD2 4.15Å; I208-L250 HydrophobicContact CG1-CB 4.24Å; I208-L250 HydrophobicContact CG1-CD2 4.19Å; I208-L250 HydrophobicContact CG2-CB 4.4Å; I208-L250 HydrophobicContact CG2-CD2 3.95Å; I208-L250 HydrophobicContact CG2-CG 4.13Å; I208-V252 HydrophobicContact CG2-CG2 4.42Å; I208-F295 HydrophobicContact CD1-CE1 4.04Å; I208-L299 HydrophobicContact CD1-CD1 4.13Å; I208-L299 HydrophobicContact CD1-CD2 3.61Å
209L98.9Very high98.3Very high0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-104.7124.8174.8-17471.2000110.2M184 L186 M203 V206 T237 L250 V252 F253M184-L209 HydrophobicContact CB-CD1 4.32Å; M184-L209 CarbonylContact O-C 3.57Å; M184-L209 WeakPolarHBondContact O-CA 3.22Å; L186-L209 HydrophobicContact CD2-CD1 4.15Å; L186-L209 HydrophobicContact CD2-CD2 4.17Å; L186-L209 HydrophobicContact CG-CD1 4.28Å; L186-L209 HydrophobicContact CG-CD2 4.31Å; L186-L209 HydrophobicContact CG-CG 4.39Å; M203-L209 HydrophobicContact CE-CD1 3.83Å; M203-L209 HydrophobicContact CE-CD2 3.74Å; M203-L209 HydrophobicContact CE-CG 4.41Å; M203-L209 HydrophobicContact SD-CD1 4.43Å; M203-L209 HydrophobicContact SD-CD2 4.18Å; V206-L209 HydrophobicContact CG1-CB 3.93Å; V206-L209 HydrophobicContact CG1-CD1 4.3Å; L209-T237 HydrophobicContact CD2-CG2 3.45Å; L209-T237 VanDerWaalsContact CD2-CG2 3.45Å; L209-L250 PolarHBondContact N-O 3.37Å; L209-V252 PolarHBondContact O-N 3.47Å; L209-F253 HydrophobicContact CD2-CE1 4.42Å
210F98.9Very high98.3Very high3 Ų325 Ų251%0.01313%0.134CC..EExtended strand (participates in β ladder)trans-101.9154.8172.1-60.7-77.7000111.2Y155 C183 M184 N185 L186 I208 V252 F291 V292 F295Y155-F210 HydrophobicContact CD2-CD2 4.46Å; Y155-F210 HydrophobicContact CE2-CD2 4.14Å; C183-F210 HydrophobicContact CB-CD2 4.49Å; C183-F210 HydrophobicContact CB-CE2 3.92Å; M184-F210 PolarHBondContact O-N 3.02Å; N185-F210 CarbonylContact C-O 3.5Å; N185-F210 WeakPolarHBondContact CA-O 3.46Å; N185-F210 HydrophobicContact CB-CB 4.25Å; N185-F210 PolarHBondContact OD1-O 2.73Å; L186-F210 PolarHBondContact N-O 3.39Å; I208-F210 HydrophobicContact CB-CE2 4.36Å; I208-F210 HydrophobicContact CG2-CD2 4.3Å; I208-F210 HydrophobicContact CG2-CE1 4.03Å; I208-F210 HydrophobicContact CG2-CE2 3.7Å; I208-F210 HydrophobicContact CG2-CZ 3.53Å; F210-V252 WeakPolarHBondContact CA-O 3.44Å; F210-V252 HydrophobicContact CD1-CB 3.89Å; F210-V252 HydrophobicContact CD1-CG1 4.33Å; F210-V252 HydrophobicContact CD1-CG2 4.47Å; F210-V252 HydrophobicContact CE1-CB 4.1Å; F210-V252 HydrophobicContact CE1-CG1 4.45Å; F210-V252 HydrophobicContact CE1-CG2 4.23Å; F210-F291 HydrophobicContact CD1-CE1 4.33Å; F210-F291 HydrophobicContact CE1-CE1 4.35Å; F210-V292 HydrophobicContact CB-CG2 4.02Å; F210-V292 HydrophobicContact CD1-CG2 3.92Å; F210-V292 HydrophobicContact CD2-CG1 4.21Å; F210-V292 HydrophobicContact CD2-CG2 4.15Å; F210-V292 HydrophobicContact CE1-CG2 4.42Å; F210-V292 HydrophobicContact CE2-CG1 4.09Å; F210-V292 HydrophobicContact CG-CG2 3.77Å; F210-V292 HydrophobicContact CZ-CG1 4.43Å; F210-F295 HydrophobicContact CE1-CB 4.32Å; F210-F295 AromaticContact CE1-CD1 3.99Å; F210-F295 HydrophobicContact CE1-CD1 3.99Å; F210-F295 AromaticContact CE1-CD2 3.95Å; F210-F295 HydrophobicContact CE1-CD2 3.95Å; F210-F295 HydrophobicContact CE1-CE1 4.32Å; F210-F295 HydrophobicContact CE1-CE2 4.26Å; F210-F295 AromaticContact CE1-CG 3.81Å; F210-F295 HydrophobicContact CE1-CG 3.81Å; F210-F295 HydrophobicContact CE1-CZ 4.45Å; F210-F295 HydrophobicContact CZ-CB 4.4Å; F210-F295 AromaticContact CZ-CD1 3.59Å; F210-F295 HydrophobicContact CZ-CD1 3.59Å; F210-F295 HydrophobicContact CZ-CD2 4.39Å; F210-F295 AromaticContact CZ-CE1 3.92Å; F210-F295 HydrophobicContact CZ-CE1 3.92Å; F210-F295 AromaticContact CZ-CG 3.87Å; F210-F295 HydrophobicContact CZ-CG 3.87Å; F210-F295 HydrophobicContact CZ-CZ 4.44Å
211G98.3Very high98.3Very high5 Ų529.9 Ų29.95%0.05215%0.154CC..EExtended strand (participates in β ladder)trans-178.3179.8167.800000111.5E215 V252 F253 T254G211-E215 WeakPolarHBondContact CA-OE2 3.33Å; G211-V252 PolarHBondContact N-O 2.9Å; G211-F253 WeakPolarHBondContact O-CA 3.43Å; G211-T254 PolarHBondContact O-N 3.3Å; G211-T254 PolarHBondContact O-OG1 3.19Å
212N97.3Very high98.3Very high45 Ų4527.2 Ų27.224%0.24114%0.143CC..EExtended strand (participates in β ladder)trans-106.5175.7166.867.139.6000111.9T214 E215 A216 T254N212-T214 VanDerWaalsContact C-N 3.3Å; N212-T214 PolarHBondContact O-N 3.01Å; N212-T214 PolarHBondContact OD1-N 2.94Å; N212-T214 VanDerWaalsContact OD1-N 3.07Å; N212-E215 VanDerWaalsContact CG-CD 3.41Å; N212-E215 PolarHBondContact N-OE2 2.92Å; N212-E215 PolarHBondContact ND2-OE1 2.88Å; N212-E215 PolarHBondContact O-N 3.19Å; N212-E215 WeakPolarHBondContact OD1-CB 3.25Å; N212-E215 VanDerWaalsContact OD1-CG 3.3Å; N212-E215 WeakPolarHBondContact OD1-CG 3.36Å; N212-E215 PolarHBondContact OD1-N 2.88Å; N212-A216 VanDerWaalsContact O-CB 3.27Å; N212-A216 WeakPolarHBondContact O-CB 3.42Å; N212-A216 PolarHBondContact O-N 3.07Å; N212-T254 CarbonylContact C-O 3.57Å; N212-T254 VanDerWaalsContact CA-O 3.31Å; N212-T254 WeakPolarHBondContact CA-O 3.42Å
213E96.7Very high98.2Very high74 Ų7429 Ų2935%0.34615%0.152SC..Hα-helixtrans-58.3-38.4-17967.4-82.1-152.500113.2A217 T254 Q255E213-A217 VanDerWaalsContact O-CB 3.26Å; E213-A217 WeakPolarHBondContact O-CB 3.29Å; E213-A217 PolarHBondContact O-N 2.83Å; E213-T254 PolarHBondContact N-O 2.93Å; E213-T254 VanDerWaalsContact N-O 3.08Å; E213-T254 VanDerWaalsContact OE2-O 3.1Å; E213-Q255 HydrophobicContact CB-CG 4.21Å; E213-Q255 WeakPolarHBondContact OE2-CA 3.48Å
214T95.1Very high98.2Very high80 Ų8031.3 Ų31.349%0.49118%0.177SC..Hα-helixtrans-73-41.1-178-58.40000110.7P189 N212 T218P189-T214 HydrophobicContact CG-CG2 3.83Å; N212-T214 VanDerWaalsContact C-N 3.3Å; N212-T214 PolarHBondContact O-N 3.01Å; N212-T214 PolarHBondContact OD1-N 2.94Å; N212-T214 VanDerWaalsContact OD1-N 3.07Å; T214-T218 WeakPolarHBondContact O-CB 3.33Å; T214-T218 PolarHBondContact O-N 3.41Å; T214-T218 PolarHBondContact O-OG1 3.35Å
215E97.6Very high98.2Very high14 Ų1431.5 Ų31.57%0.06517%0.174CC..Hα-helixtrans-65.2-44.3174.3-72157.6-162.500111.6L186 S187 G211 N212 T218 F219L186-E215 HydrophobicContact CB-CB 3.85Å; L186-E215 HydrophobicContact CB-CG 4.34Å; L186-E215 HydrophobicContact CD1-CB 4.03Å; S187-E215 PolarHBondContact N-OE2 3.43Å; S187-E215 VanDerWaalsContact O-OE1 3.06Å; G211-E215 WeakPolarHBondContact CA-OE2 3.33Å; N212-E215 VanDerWaalsContact CG-CD 3.41Å; N212-E215 PolarHBondContact N-OE2 2.92Å; N212-E215 PolarHBondContact ND2-OE1 2.88Å; N212-E215 PolarHBondContact O-N 3.19Å; N212-E215 WeakPolarHBondContact OD1-CB 3.25Å; N212-E215 VanDerWaalsContact OD1-CG 3.3Å; N212-E215 WeakPolarHBondContact OD1-CG 3.36Å; N212-E215 PolarHBondContact OD1-N 2.88Å; E215-T218 PolarHBondContact O-N 2.85Å; E215-F219 VanDerWaalsContact O-CB 3.29Å; E215-F219 WeakPolarHBondContact O-CB 3.35Å; E215-F219 PolarHBondContact O-N 3.19Å
216A98.6Very high98Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-64-45.4178.200000111.6N212 T218 F219 A220 I230 I233 F253N212-A216 VanDerWaalsContact O-CB 3.27Å; N212-A216 WeakPolarHBondContact O-CB 3.42Å; N212-A216 PolarHBondContact O-N 3.07Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 2.95Å; A216-F219 PolarHBondContact O-N 2.9Å; A216-A220 WeakPolarHBondContact O-CB 3.28Å; A216-A220 PolarHBondContact O-N 2.82Å; A216-I230 HydrophobicContact CB-CD1 3.53Å; A216-I233 HydrophobicContact CB-CG2 4.23Å; A216-F253 HydrophobicContact CB-CD1 4.1Å; A216-F253 HydrophobicContact CB-CD2 3.75Å; A216-F253 HydrophobicContact CB-CE1 4.05Å; A216-F253 HydrophobicContact CB-CE2 3.69Å; A216-F253 HydrophobicContact CB-CG 3.96Å; A216-F253 HydrophobicContact CB-CZ 3.84Å
217A98.4Very high98Very high37 Ų3740.6 Ų40.631%0.30622%0.22SC..Hα-helixtrans-60.4-43.6174.500000111.6E213 A220 K221E213-A217 VanDerWaalsContact O-CB 3.26Å; E213-A217 WeakPolarHBondContact O-CB 3.29Å; E213-A217 PolarHBondContact O-N 2.83Å; A217-A220 PolarHBondContact O-N 3.2Å; A217-K221 WeakPolarHBondContact O-CB 3.46Å; A217-K221 PolarHBondContact O-N 3.05Å
218T98.4Very high97.8Very high20 Ų2047.5 Ų47.512%0.12326%0.257CS..Hα-helixtrans-64.6-44.4176.6-55.50000111.4P189 Q193 T214 E215 A216 A220 K221 E222P189-T218 HydrophobicContact CB-CG2 3.96Å; P189-T218 WeakPolarHBondContact O-CG2 3.31Å; Q193-T218 HydrophobicContact CG-CG2 3.69Å; T214-T218 WeakPolarHBondContact O-CB 3.33Å; T214-T218 PolarHBondContact O-N 3.41Å; T214-T218 PolarHBondContact O-OG1 3.35Å; E215-T218 PolarHBondContact O-N 2.85Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 2.95Å; T218-A220 PolarHBondContact O-N 2.85Å; T218-K221 PolarHBondContact O-N 3.05Å; T218-E222 HydrophobicContact CG2-CG 4.36Å; T218-E222 VanDerWaalsContact O-CG 3.32Å; T218-E222 WeakPolarHBondContact O-CG 3.4Å; T218-E222 PolarHBondContact O-N 2.89Å
219F98.7Very high97.7Very high3 Ų351 Ų511%0.01328%0.276CS..Hα-helixtrans-59.6-45176.6-177.7-106.7000112.1L186 L199 M200 M203 E215 A216 K221 E222 L223 T237 L240L186-F219 HydrophobicContact CD1-CB 4.1Å; L186-F219 HydrophobicContact CD1-CG 4.4Å; L186-F219 HydrophobicContact CD2-CB 4.42Å; L186-F219 HydrophobicContact CD2-CD2 3.9Å; L186-F219 HydrophobicContact CD2-CE2 4.33Å; L186-F219 HydrophobicContact CD2-CG 4.12Å; L199-F219 HydrophobicContact CD2-CD2 3.85Å; L199-F219 HydrophobicContact CD2-CE2 3.71Å; L199-F219 HydrophobicContact CG-CE2 4.4Å; M200-F219 HydrophobicContact SD-CE2 3.93Å; M200-F219 HydrophobicContact SD-CZ 4.01Å; M203-F219 HydrophobicContact CE-CE2 4.08Å; M203-F219 HydrophobicContact CE-CZ 3.77Å; E215-F219 VanDerWaalsContact O-CB 3.29Å; E215-F219 WeakPolarHBondContact O-CB 3.35Å; E215-F219 PolarHBondContact O-N 3.19Å; A216-F219 PolarHBondContact O-N 2.9Å; F219-K221 PolarHBondContact O-N 2.92Å; F219-E222 PolarHBondContact O-N 2.72Å; F219-L223 HydrophobicContact CD1-CD1 4.16Å; F219-L223 HydrophobicContact CE1-CD1 3.45Å; F219-L223 VanDerWaalsContact CE1-CD1 3.45Å; F219-L223 HydrophobicContact CE1-CG 4.31Å; F219-L223 HydrophobicContact CE2-CD1 3.86Å; F219-L223 HydrophobicContact CE2-CG 4.19Å; F219-L223 HydrophobicContact CZ-CD1 3.28Å; F219-L223 HydrophobicContact CZ-CG 4.1Å; F219-L223 WeakPolarHBondContact O-CB 3.44Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3.41Å; F219-T237 HydrophobicContact CD1-CG2 4.48Å; F219-T237 HydrophobicContact CE1-CG2 3.76Å; F219-L240 HydrophobicContact CE1-CD1 4.04Å; F219-L240 HydrophobicContact CZ-CD1 3.88Å
220A98.7Very high97.7Very high1 Ų152.1 Ų52.11%0.00828%0.282CS..Hα-helixtrans-60-44.8176.500000112.2A216 A217 T218 L223 G224 F225 I233A216-A220 WeakPolarHBondContact O-CB 3.28Å; A216-A220 PolarHBondContact O-N 2.82Å; A217-A220 PolarHBondContact O-N 3.2Å; T218-A220 PolarHBondContact O-N 2.85Å; A220-L223 PolarHBondContact O-N 3.05Å; A220-G224 PolarHBondContact O-N 2.85Å; A220-F225 HydrophobicContact CB-CB 4.07Å; A220-F225 HydrophobicContact CB-CD2 4Å; A220-F225 HydrophobicContact CB-CG 4.39Å; A220-F225 PolarHBondContact O-N 2.81Å; A220-I233 HydrophobicContact CB-CB 4.38Å; A220-I233 HydrophobicContact CB-CD1 3.67Å; A220-I233 HydrophobicContact CB-CG1 3.63Å; A220-I233 HydrophobicContact CB-CG2 3.84Å
221K98.4Very high97.6Very high159 Ų15953.3 Ų53.369%0.69129%0.292SS*.Hα-helixtrans-60.1-50175.4-179.1-176.2176.9-175.50111.3A217 T218 F219 L223 G224A217-K221 WeakPolarHBondContact O-CB 3.46Å; A217-K221 PolarHBondContact O-N 3.05Å; T218-K221 PolarHBondContact O-N 3.05Å; F219-K221 PolarHBondContact O-N 2.92Å; K221-L223 PolarHBondContact O-N 3.39Å; K221-G224 PolarHBondContact O-N 3.5Å
222E98.4Very high97.6Very high60 Ų6055.8 Ų55.828%0.2831%0.306SS..Hα-helixtrans-66.5-25.6-178.5-67.1-55.6138.300112.5Q193 K196 T218 F219Q193-E222 HydrophobicContact CG-CG 4.33Å; K196-E222 HydrophobicContact CD-CB 4.48Å; K196-E222 PolarHBondContact NZ-O 2.89Å; T218-E222 HydrophobicContact CG2-CG 4.36Å; T218-E222 VanDerWaalsContact O-CG 3.32Å; T218-E222 WeakPolarHBondContact O-CG 3.4Å; T218-E222 PolarHBondContact O-N 2.89Å; F219-E222 PolarHBondContact O-N 2.72Å
223L97.9Very high97.7Very high39 Ų3953.7 Ų53.720%0.20430%0.295CS..Hα-helixtrans-89.9-4.3172.8-67.3-164.5000114.8M200 F219 A220 K221 F225 L240M200-L223 HydrophobicContact CE-CD1 4.25Å; M200-L223 HydrophobicContact CE-CD2 4.27Å; M200-L223 HydrophobicContact CG-CD2 4.29Å; M200-L223 HydrophobicContact SD-CD1 4.11Å; M200-L223 HydrophobicContact SD-CD2 3.86Å; F219-L223 HydrophobicContact CD1-CD1 4.16Å; F219-L223 HydrophobicContact CE1-CD1 3.45Å; F219-L223 VanDerWaalsContact CE1-CD1 3.45Å; F219-L223 HydrophobicContact CE1-CG 4.31Å; F219-L223 HydrophobicContact CE2-CD1 3.86Å; F219-L223 HydrophobicContact CE2-CG 4.19Å; F219-L223 HydrophobicContact CZ-CD1 3.28Å; F219-L223 HydrophobicContact CZ-CG 4.1Å; F219-L223 WeakPolarHBondContact O-CB 3.44Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3.41Å; A220-L223 PolarHBondContact O-N 3.05Å; K221-L223 PolarHBondContact O-N 3.39Å; L223-F225 HydrophobicContact CB-CD1 3.8Å; L223-F225 HydrophobicContact CB-CE1 3.67Å; L223-F225 HydrophobicContact CB-CG 4.43Å; L223-F225 HydrophobicContact CB-CZ 4.19Å; L223-F225 HydrophobicContact CD1-CE1 3.85Å; L223-F225 HydrophobicContact CD1-CE2 4.41Å; L223-F225 HydrophobicContact CD1-CZ 3.67Å; L223-F225 HydrophobicContact CG-CE1 4.44Å; L223-L240 HydrophobicContact CD1-CD1 4Å; L223-L240 HydrophobicContact CD1-CD2 4.21Å
224G98Very high97.8Very high50 Ų5050.2 Ų50.252%0.51528%0.279SS..THydrogen-bonded Turntrans67.139.5-178.500000112.9A220 K221 E226A220-G224 PolarHBondContact O-N 2.85Å; K221-G224 PolarHBondContact O-N 3.5Å; G224-E226 PolarHBondContact O-N 3.43Å
225F98.1Very high98Very high22 Ų2250 Ų5010%0.09627%0.272CS..  trans-72.7-14.3178.2-76.70.7000114.1A220 L223 T227 I233 K236 L240A220-F225 HydrophobicContact CB-CB 4.07Å; A220-F225 HydrophobicContact CB-CD2 4Å; A220-F225 HydrophobicContact CB-CG 4.39Å; A220-F225 PolarHBondContact O-N 2.81Å; L223-F225 HydrophobicContact CB-CD1 3.8Å; L223-F225 HydrophobicContact CB-CE1 3.67Å; L223-F225 HydrophobicContact CB-CG 4.43Å; L223-F225 HydrophobicContact CB-CZ 4.19Å; L223-F225 HydrophobicContact CD1-CE1 3.85Å; L223-F225 HydrophobicContact CD1-CE2 4.41Å; L223-F225 HydrophobicContact CD1-CZ 3.67Å; L223-F225 HydrophobicContact CG-CE1 4.44Å; F225-T227 VanDerWaalsContact C-N 3.33Å; F225-T227 HydrophobicContact CB-CG2 4.19Å; F225-T227 PolarHBondContact O-N 3.02Å; F225-I233 HydrophobicContact CD2-CG2 4.49Å; F225-K236 HydrophobicContact CB-CD 3.9Å; F225-K236 HydrophobicContact CD1-CD 4.22Å; F225-K236 HydrophobicContact CD2-CB 3.68Å; F225-K236 HydrophobicContact CD2-CD 3.98Å; F225-K236 HydrophobicContact CD2-CG 4.48Å; F225-K236 HydrophobicContact CE1-CB 4.34Å; F225-K236 HydrophobicContact CE2-CB 3.47Å; F225-K236 VanDerWaalsContact CE2-CB 3.47Å; F225-K236 HydrophobicContact CG-CB 4.22Å; F225-K236 HydrophobicContact CG-CD 3.78Å; F225-K236 HydrophobicContact CZ-CB 3.82Å; F225-K236 PolarHBondContact O-NZ 2.67Å; F225-L240 HydrophobicContact CE1-CD2 4.41Å; F225-L240 HydrophobicContact CZ-CD2 4.12Å; F225-L240 HydrophobicContact CZ-CG 4.44Å
226E95.8Very high98Very high191 Ų19153.4 Ų53.489%0.89329%0.287SS*.  trans5542.5176.9-59.5-178.4165.400113.3G224G224-E226 PolarHBondContact O-N 3.43Å
227T97.5Very high98Very high35 Ų3553.4 Ų53.422%0.21529%0.287CS..  trans-157.8147.1178.5-175.40000110.7F225 D229 V232 I233F225-T227 VanDerWaalsContact C-N 3.33Å; F225-T227 HydrophobicContact CB-CG2 4.19Å; F225-T227 PolarHBondContact O-N 3.02Å; T227-D229 PolarHBondContact OG1-N 3.24Å; T227-V232 HydrophobicContact CG2-CB 4.15Å; T227-V232 HydrophobicContact CG2-CG1 3.83Å; T227-I233 HydrophobicContact CG2-CG1 3.87Å
228D94.4Very high98Very high150 Ų15052 Ų5280%0.80227%0.274SS*.  trans-107.92.5171.2-60-38.5000111.8I230D228-I230 PolarHBondContact O-N 2.96Å
229D98.1Very high98Very high83 Ų8355.6 Ų55.644%0.44429%0.292SS..  trans-77113.3178.5-178.2-50.8000109.8T227 A231 V232 I233T227-D229 PolarHBondContact OG1-N 3.24Å; D229-A231 PolarHBondContact O-N 3.41Å; D229-A231 WeakPolarHBondContact OD1-CA 3.39Å; D229-A231 WeakPolarHBondContact OD1-CB 3.44Å; D229-A231 PolarHBondContact OD1-N 2.8Å; D229-V232 HydrophobicContact CB-CB 4.04Å; D229-V232 HydrophobicContact CB-CG2 3.81Å; D229-V232 PolarHBondContact O-N 3.28Å; D229-V232 VanDerWaalsContact O-N 3.08Å; D229-V232 PolarHBondContact OD1-N 2.89Å; D229-I233 VanDerWaalsContact O-CG1 3.25Å; D229-I233 WeakPolarHBondContact O-CG1 3.3Å; D229-I233 PolarHBondContact O-N 2.85Å
230I98.3Very high98Very high23 Ų2356.8 Ų56.812%0.11830%0.298CS..Hα-helixtrans-57.2-33.8-175.8-166.565.5000113.4A216 D228 A234 F253 V261A216-I230 HydrophobicContact CB-CD1 3.53Å; D228-I230 PolarHBondContact O-N 2.96Å; I230-A234 WeakPolarHBondContact O-CB 3.36Å; I230-A234 PolarHBondContact O-N 2.83Å; I230-F253 HydrophobicContact CD1-CB 4.04Å; I230-F253 HydrophobicContact CD1-CD2 3.71Å; I230-F253 HydrophobicContact CD1-CG 4.17Å; I230-F253 HydrophobicContact CG1-CB 4.26Å; I230-F253 HydrophobicContact CG1-CD2 4.22Å; I230-V261 HydrophobicContact CB-CG2 4.35Å; I230-V261 HydrophobicContact CG1-CB 4.43Å; I230-V261 HydrophobicContact CG1-CG2 3.76Å; I230-V261 HydrophobicContact CG2-CG2 3.69Å
231A98.1Very high98Very high28 Ų2861.7 Ų61.723%0.23133%0.331CS..Hα-helixtrans-73-41.5178.700000110.5D229 I233 A234 H235 V268D229-A231 PolarHBondContact O-N 3.41Å; D229-A231 WeakPolarHBondContact OD1-CA 3.39Å; D229-A231 WeakPolarHBondContact OD1-CB 3.44Å; D229-A231 PolarHBondContact OD1-N 2.8Å; A231-I233 VanDerWaalsContact C-N 3.35Å; A231-A234 PolarHBondContact O-N 3.39Å; A231-H235 WeakPolarHBondContact O-CB 3.44Å; A231-H235 PolarHBondContact O-N 3.19Å; A231-V268 HydrophobicContact CB-CB 4.24Å; A231-V268 HydrophobicContact CB-CG1 3.78Å
232V98.4Very high98Very high57 Ų5756.3 Ų56.335%0.34531%0.307SS..Hα-helixtrans-64.7-41.1173.8-1760000110.7T227 D229 H235 K236T227-V232 HydrophobicContact CG2-CB 4.15Å; T227-V232 HydrophobicContact CG2-CG1 3.83Å; D229-V232 HydrophobicContact CB-CB 4.04Å; D229-V232 HydrophobicContact CB-CG2 3.81Å; D229-V232 PolarHBondContact O-N 3.28Å; D229-V232 VanDerWaalsContact O-N 3.08Å; D229-V232 PolarHBondContact OD1-N 2.89Å; V232-H235 PolarHBondContact O-N 3.32Å; V232-K236 HydrophobicContact CG1-CD 4.27Å; V232-K236 HydrophobicContact CG1-CG 4.38Å; V232-K236 WeakPolarHBondContact O-CB 3.43Å; V232-K236 WeakPolarHBondContact O-CG 3.36Å; V232-K236 PolarHBondContact O-N 3.4Å
233I98.8Very high98Very high2 Ų259.1 Ų59.11%0.0132%0.32CS..Hα-helixtrans-60.4-47.3175.3-64.5167.9000110.3A216 A220 F225 T227 D229 A231 H235 K236 T237 F253A216-I233 HydrophobicContact CB-CG2 4.23Å; A220-I233 HydrophobicContact CB-CB 4.38Å; A220-I233 HydrophobicContact CB-CD1 3.67Å; A220-I233 HydrophobicContact CB-CG1 3.63Å; A220-I233 HydrophobicContact CB-CG2 3.84Å; F225-I233 HydrophobicContact CD2-CG2 4.49Å; T227-I233 HydrophobicContact CG2-CG1 3.87Å; D229-I233 VanDerWaalsContact O-CG1 3.25Å; D229-I233 WeakPolarHBondContact O-CG1 3.3Å; D229-I233 PolarHBondContact O-N 2.85Å; A231-I233 VanDerWaalsContact C-N 3.35Å; I233-H235 PolarHBondContact O-N 2.92Å; I233-K236 PolarHBondContact O-N 3.02Å; I233-T237 VanDerWaalsContact O-CB 3.28Å; I233-T237 WeakPolarHBondContact O-CB 3.46Å; I233-T237 PolarHBondContact O-N 3.36Å; I233-T237 PolarHBondContact O-OG1 2.95Å; I233-F253 HydrophobicContact CG2-CE2 3.96Å
234A98.8Very high98Very high0 Ų057.9 Ų57.90%031%0.314CS..Hα-helixtrans-59.4-48.4178.400000111.4I230 A231 T237 Q238 V251 F253 V261 T263I230-A234 WeakPolarHBondContact O-CB 3.36Å; I230-A234 PolarHBondContact O-N 2.83Å; A231-A234 PolarHBondContact O-N 3.39Å; A234-T237 PolarHBondContact O-N 2.7Å; A234-Q238 WeakPolarHBondContact O-CB 3.37Å; A234-Q238 PolarHBondContact O-N 3.19Å; A234-V251 HydrophobicContact CB-CB 4.45Å; A234-V251 HydrophobicContact CB-CG1 4.1Å; A234-F253 HydrophobicContact CB-CD2 3.92Å; A234-F253 HydrophobicContact CB-CE2 3.96Å; A234-V261 HydrophobicContact CB-CG1 3.91Å; A234-T263 HydrophobicContact CB-CG2 4.07Å
235H98.5Very high97.9Very high75 Ų7560.2 Ų60.235%0.34733%0.328SS..Hα-helixtrans-62.4-44.9178-179.3-91.6000112.4A231 V232 I233 T237 Q238 N239 V268A231-H235 WeakPolarHBondContact O-CB 3.44Å; A231-H235 PolarHBondContact O-N 3.19Å; V232-H235 PolarHBondContact O-N 3.32Å; I233-H235 PolarHBondContact O-N 2.92Å; H235-T237 VanDerWaalsContact C-N 3.34Å; H235-T237 PolarHBondContact O-N 2.96Å; H235-Q238 WeakPolarHBondContact O-CB 3.15Å; H235-Q238 PolarHBondContact O-N 3.47Å; H235-N239 PolarHBondContact CE1-ND2 3.04Å; H235-N239 VanDerWaalsContact CE1-ND2 3.26Å; H235-N239 PolarHBondContact NE2-ND2 3.48Å; H235-N239 PolarHBondContact O-N 3.37Å; H235-N239 PolarHBondContact O-ND2 3.32Å; H235-V268 HydrophobicContact CB-CG2 3.9Å
236K98.6Very high97.9Very high86 Ų8667.1 Ų67.137%0.37436%0.358SS..Hα-helixtrans-63.1-41176.2-74.7-173.8176.5-1530111.8F225 V232 I233 Q238 N239 L240F225-K236 HydrophobicContact CB-CD 3.9Å; F225-K236 HydrophobicContact CD1-CD 4.22Å; F225-K236 HydrophobicContact CD2-CB 3.68Å; F225-K236 HydrophobicContact CD2-CD 3.98Å; F225-K236 HydrophobicContact CD2-CG 4.48Å; F225-K236 HydrophobicContact CE1-CB 4.34Å; F225-K236 HydrophobicContact CE2-CB 3.47Å; F225-K236 VanDerWaalsContact CE2-CB 3.47Å; F225-K236 HydrophobicContact CG-CB 4.22Å; F225-K236 HydrophobicContact CG-CD 3.78Å; F225-K236 HydrophobicContact CZ-CB 3.82Å; F225-K236 PolarHBondContact O-NZ 2.67Å; V232-K236 HydrophobicContact CG1-CD 4.27Å; V232-K236 HydrophobicContact CG1-CG 4.38Å; V232-K236 WeakPolarHBondContact O-CB 3.43Å; V232-K236 WeakPolarHBondContact O-CG 3.36Å; V232-K236 PolarHBondContact O-N 3.4Å; I233-K236 PolarHBondContact O-N 3.02Å; K236-Q238 VanDerWaalsContact C-N 3.35Å; K236-N239 PolarHBondContact O-N 3.17Å; K236-L240 PolarHBondContact O-N 3.28Å
237T98.7Very high97.9Very high0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-64-40.4177.9-58.10000111.7L209 F219 I233 A234 H235 N239 L240 V251L209-T237 HydrophobicContact CD2-CG2 3.45Å; L209-T237 VanDerWaalsContact CD2-CG2 3.45Å; F219-T237 HydrophobicContact CD1-CG2 4.48Å; F219-T237 HydrophobicContact CE1-CG2 3.76Å; I233-T237 VanDerWaalsContact O-CB 3.28Å; I233-T237 WeakPolarHBondContact O-CB 3.46Å; I233-T237 PolarHBondContact O-N 3.36Å; I233-T237 PolarHBondContact O-OG1 2.95Å; A234-T237 PolarHBondContact O-N 2.7Å; H235-T237 VanDerWaalsContact C-N 3.34Å; H235-T237 PolarHBondContact O-N 2.96Å; T237-N239 VanDerWaalsContact C-N 3.25Å; T237-N239 PolarHBondContact O-N 2.97Å; T237-L240 HydrophobicContact CG2-CD1 4.2Å; T237-L240 WeakPolarHBondContact O-CB 3.37Å; T237-L240 WeakPolarHBondContact O-CG 3.18Å; T237-L240 PolarHBondContact O-N 3.32Å; T237-V251 HydrophobicContact CG2-CG1 4.39Å; T237-V251 HydrophobicContact CG2-CG2 3.86Å
238Q98.6Very high97.8Very high7 Ų765.1 Ų65.13%0.03334%0.343CS..Hα-helixtrans-55.8-43.4175.7-162-167.99.300111.8A234 H235 K236 L240 R249 V251 T263 G265A234-Q238 WeakPolarHBondContact O-CB 3.37Å; A234-Q238 PolarHBondContact O-N 3.19Å; H235-Q238 WeakPolarHBondContact O-CB 3.15Å; H235-Q238 PolarHBondContact O-N 3.47Å; K236-Q238 VanDerWaalsContact C-N 3.35Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 3.45Å; Q238-R249 HydrophobicContact CG-CB 4.27Å; Q238-R249 WeakPolarHBondContact CG-O 3.47Å; Q238-R249 PolarHBondContact NE2-O 3.05Å; Q238-R249 PolarHBondContact O-NH1 3.17Å; Q238-V251 HydrophobicContact CB-CG2 4.05Å; Q238-T263 HydrophobicContact CB-CG2 4.08Å; Q238-T263 HydrophobicContact CG-CG2 4.2Å; Q238-G265 PolarHBondContact NE2-O 3.38Å; Q238-G265 PolarHBondContact OE1-O 3.48Å
239N97.9Very high98Very high96 Ų9658.2 Ų58.251%0.51331%0.306SS..THydrogen-bonded Turntrans-83.25.1-174.9-73.4-68000114.5H235 K236 T237H235-N239 PolarHBondContact CE1-ND2 3.04Å; H235-N239 VanDerWaalsContact CE1-ND2 3.26Å; H235-N239 PolarHBondContact NE2-ND2 3.48Å; H235-N239 PolarHBondContact O-N 3.37Å; H235-N239 PolarHBondContact O-ND2 3.32Å; K236-N239 PolarHBondContact O-N 3.17Å; T237-N239 VanDerWaalsContact C-N 3.25Å; T237-N239 PolarHBondContact O-N 2.97Å
240L98.4Very high98.1Very high28 Ų2855.5 Ų55.515%0.14729%0.291CS..SBendtrans-59.8153.7170.9-70.7172.7000111M200 M203 F219 L223 F225 K236 T237 Q238 K242 R249M200-L240 HydrophobicContact CE-CD1 4.23Å; M200-L240 HydrophobicContact CE-CD2 4.44Å; M203-L240 HydrophobicContact CG-CD1 3.95Å; M203-L240 HydrophobicContact SD-CD1 4.49Å; F219-L240 HydrophobicContact CE1-CD1 4.04Å; F219-L240 HydrophobicContact CZ-CD1 3.88Å; L223-L240 HydrophobicContact CD1-CD1 4Å; L223-L240 HydrophobicContact CD1-CD2 4.21Å; F225-L240 HydrophobicContact CE1-CD2 4.41Å; F225-L240 HydrophobicContact CZ-CD2 4.12Å; F225-L240 HydrophobicContact CZ-CG 4.44Å; K236-L240 PolarHBondContact O-N 3.28Å; T237-L240 HydrophobicContact CG2-CD1 4.2Å; T237-L240 WeakPolarHBondContact O-CB 3.37Å; T237-L240 WeakPolarHBondContact O-CG 3.18Å; T237-L240 PolarHBondContact O-N 3.32Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 3.45Å; L240-K242 PolarHBondContact O-N 3.29Å; L240-R249 PolarHBondContact O-NH1 2.88Å
241P98.3Very high98.1Very high105 Ų10554.4 Ų54.468%0.68229%0.286SS*.  trans-49.9141.4177.7-27.935.5000112.6R249P241-R249 PolarHBondContact O-NH2 2.81Å
242K98.1Very high98.1Very high46 Ų4653.1 Ų53.120%0.228%0.275CS..  trans-142.4133.1-177.2-166.2176.9-174.6-640111.1A204 V206 D207 L240 N244 R247 R249A204-K242 CarbonylContact O-C 3.51Å; A204-K242 VanDerWaalsContact O-CA 3.3Å; A204-K242 WeakPolarHBondContact O-CA 3.22Å; A204-K242 WeakPolarHBondContact O-CG 3.37Å; V206-K242 WeakPolarHBondContact O-CE 3.21Å; D207-K242 VanDerWaalsContact OD1-CE 3.26Å; D207-K242 WeakPolarHBondContact OD1-CE 3.44Å; D207-K242 IonicContact OD1-NZ 3.35Å; D207-K242 PolarHBondContact OD1-NZ 2.81Å; L240-K242 PolarHBondContact O-N 3.29Å; K242-N244 PolarHBondContact NZ-O 2.76Å; K242-R247 VanDerWaalsContact CD-O 3.29Å; K242-R247 WeakPolarHBondContact CD-O 3.49Å; K242-R247 WeakPolarHBondContact CE-O 3.24Å; K242-R247 PolarHBondContact NZ-O 3.05Å; K242-R249 HydrophobicContact CD-CB 4.24Å
243E98.1Very high98.2Very high118 Ų11850.4 Ų50.455%0.55126%0.258SS*.SBendtrans-74.6-52-176.2-70.2-71.1154.700111.8A204 Y205 A245A204-E243 HydrophobicContact CB-CG 3.9Å; A204-E243 PolarHBondContact O-N 2.91Å; Y205-E243 HydrophobicContact CD1-CB 4.01Å; Y205-E243 HydrophobicContact CD1-CG 4.01Å; Y205-E243 HydrophobicContact CE1-CB 3.91Å; Y205-E243 HydrophobicContact CE1-CG 3.61Å; E243-A245 PolarHBondContact O-N 3.43Å; E243-A245 VanDerWaalsContact O-N 3.13Å
244N97.9Very high98.1Very high13 Ų1351.6 Ų51.67%0.0727%0.266CS..  trans-81.795.6177-176.79.2000111.3S176 N179 K242 K246 R247S176-N244 WeakPolarHBondContact OG-CB 3.31Å; N179-N244 PolarHBondContact OD1-ND2 2.92Å; K242-N244 PolarHBondContact NZ-O 2.76Å; N244-K246 PolarHBondContact O-N 3.33Å; N244-K246 VanDerWaalsContact OD1-CB 3.27Å; N244-K246 WeakPolarHBondContact OD1-CB 3.33Å; N244-K246 PolarHBondContact OD1-N 3Å; N244-R247 PolarHBondContact O-N 3.33Å
245A96.3Very high98Very high100 Ų10053 Ų5383%0.82627%0.272SS*.THydrogen-bonded Turntrans-67.1-11.9177.200000114.6E243 R247E243-A245 PolarHBondContact O-N 3.43Å; E243-A245 VanDerWaalsContact O-N 3.13Å; A245-R247 PolarHBondContact O-N 2.94Å
246K97.8Very high97.7Very high166 Ų16652.2 Ų52.272%0.72228%0.284SS*.THydrogen-bonded Turntrans-74.3-12.4178.3-58.8176.2-178.5173.10113.1N179 N244N179-K246 HydrophobicContact CB-CD 4.49Å; N244-K246 PolarHBondContact O-N 3.33Å; N244-K246 VanDerWaalsContact OD1-CB 3.27Å; N244-K246 WeakPolarHBondContact OD1-CB 3.33Å; N244-K246 PolarHBondContact OD1-N 3Å
247R96Very high97.3Very high84 Ų8455.9 Ų55.932%0.31730%0.3SS..SBendtrans-132.6122.6-178.5-62.9-178.3-179.8-79.70.3109.2N179 D207 K242 N244 A245N179-R247 PolarHBondContact O-NE 2.89Å; N179-R247 PolarHBondContact O-NH2 2.95Å; N179-R247 PolarHBondContact OD1-NE 3.48Å; N179-R247 VanDerWaalsContact OD1-NE 3.12Å; D207-R247 WeakPolarHBondContact OD1-CB 3.45Å; D207-R247 WeakPolarHBondContact OD1-CD 3.17Å; K242-R247 VanDerWaalsContact CD-O 3.29Å; K242-R247 WeakPolarHBondContact CD-O 3.49Å; K242-R247 WeakPolarHBondContact CE-O 3.24Å; K242-R247 PolarHBondContact NZ-O 3.05Å; N244-R247 PolarHBondContact O-N 3.33Å; A245-R247 PolarHBondContact O-N 2.94Å
248Q97.1Very high97.2Very high101 Ų10160.3 Ų60.347%0.47232%0.324SS..  trans-69.6144.3167.1-166.9174.325.400108.8D266Q248-D266 PolarHBondContact NE2-OD1 2.81Å; Q248-D266 VanDerWaalsContact NE2-OD1 3.1Å
249R98.4Very high97.2Very high4 Ų462.8 Ų62.82%0.01534%0.337CS..  trans-65141.2172.9-172.1171.8-65.6108.8-7.4109.3M203 V206 D207 Q238 L240 P241 K242 V251M203-R249 PolarHBondContact O-NH2 3Å; V206-R249 PolarHBondContact O-NE 3.37Å; D207-R249 CarbonylContact O-C 3.54Å; D207-R249 WeakPolarHBondContact O-CA 3.25Å; Q238-R249 HydrophobicContact CG-CB 4.27Å; Q238-R249 WeakPolarHBondContact CG-O 3.47Å; Q238-R249 PolarHBondContact NE2-O 3.05Å; Q238-R249 PolarHBondContact O-NH1 3.17Å; L240-R249 PolarHBondContact O-NH1 2.88Å; P241-R249 PolarHBondContact O-NH2 2.81Å; K242-R249 HydrophobicContact CD-CB 4.24Å; R249-V251 HydrophobicContact CG-CG2 4.28Å
250L98.7Very high97.2Very high27 Ų2758.3 Ų58.314%0.14131%0.314CS..EExtended strand (participates in β ladder)trans-106.8132.216516964.5000107.8D207 I208 L209 V252 A262 T263 F295 L305D207-L250 PolarHBondContact O-N 3.3Å; I208-L250 CarbonylContact C-O 3.56Å; I208-L250 VanDerWaalsContact CA-O 3.3Å; I208-L250 WeakPolarHBondContact CA-O 3.3Å; I208-L250 HydrophobicContact CD1-CD2 4.15Å; I208-L250 HydrophobicContact CG1-CB 4.24Å; I208-L250 HydrophobicContact CG1-CD2 4.19Å; I208-L250 HydrophobicContact CG2-CB 4.4Å; I208-L250 HydrophobicContact CG2-CD2 3.95Å; I208-L250 HydrophobicContact CG2-CG 4.13Å; L209-L250 PolarHBondContact N-O 3.37Å; L250-V252 HydrophobicContact CD1-CG2 4.04Å; L250-V252 HydrophobicContact CD2-CG2 4.03Å; L250-V252 HydrophobicContact CG-CG2 3.83Å; L250-A262 HydrophobicContact CD1-CB 4.39Å; L250-T263 WeakPolarHBondContact CA-OG1 3.31Å; L250-T263 WeakPolarHBondContact CD1-O 2.99Å; L250-F295 HydrophobicContact CD2-CZ 3.89Å; L250-L305 HydrophobicContact CD1-CD1 4.12Å; L250-L305 HydrophobicContact CD1-CD2 3.96Å; L250-L305 HydrophobicContact CD2-CD1 3.61Å
251V98.9Very high97.2Very high0 Ų057 Ų570%031%0.307CS..EExtended strand (participates in β ladder)trans-114.5131.6172.4-177.90000107.8A234 T237 Q238 R249 F253 A262 T263A234-V251 HydrophobicContact CB-CB 4.45Å; A234-V251 HydrophobicContact CB-CG1 4.1Å; T237-V251 HydrophobicContact CG2-CG1 4.39Å; T237-V251 HydrophobicContact CG2-CG2 3.86Å; Q238-V251 HydrophobicContact CB-CG2 4.05Å; R249-V251 HydrophobicContact CG-CG2 4.28Å; V251-F253 HydrophobicContact CG1-CD1 4.04Å; V251-F253 HydrophobicContact CG1-CD2 3.88Å; V251-F253 HydrophobicContact CG1-CE1 3.58Å; V251-F253 HydrophobicContact CG1-CE2 3.39Å; V251-F253 HydrophobicContact CG1-CG 4.18Å; V251-F253 HydrophobicContact CG1-CZ 3.23Å; V251-A262 WeakPolarHBondContact O-CA 3.34Å; V251-T263 HydrophobicContact CB-CG2 4Å; V251-T263 HydrophobicContact CG2-CG2 4.49Å; V251-T263 PolarHBondContact N-OG1 3.43Å; V251-T263 PolarHBondContact O-N 2.84Å
252V98.9Very high97.2Very high1 Ų152 Ų521%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-129.7110.9178.8-172.60000108.8I208 L209 F210 G211 L250 T260 V261 A262 F291 F295I208-V252 HydrophobicContact CG2-CG2 4.42Å; L209-V252 PolarHBondContact O-N 3.47Å; F210-V252 WeakPolarHBondContact CA-O 3.44Å; F210-V252 HydrophobicContact CD1-CB 3.89Å; F210-V252 HydrophobicContact CD1-CG1 4.33Å; F210-V252 HydrophobicContact CD1-CG2 4.47Å; F210-V252 HydrophobicContact CE1-CB 4.1Å; F210-V252 HydrophobicContact CE1-CG1 4.45Å; F210-V252 HydrophobicContact CE1-CG2 4.23Å; G211-V252 PolarHBondContact N-O 2.9Å; L250-V252 HydrophobicContact CD1-CG2 4.04Å; L250-V252 HydrophobicContact CD2-CG2 4.03Å; L250-V252 HydrophobicContact CG-CG2 3.83Å; V252-T260 HydrophobicContact CG1-CG2 3.78Å; V252-V261 CarbonylContact C-O 3.23Å; V252-V261 VanDerWaalsContact CA-O 3.31Å; V252-V261 WeakPolarHBondContact CA-O 3.44Å; V252-A262 HydrophobicContact CG2-CB 4.21Å; V252-F291 HydrophobicContact CG1-CE1 3.7Å; V252-F291 HydrophobicContact CG1-CZ 3.82Å; V252-F295 HydrophobicContact CG2-CE2 4.11Å; V252-F295 HydrophobicContact CG2-CZ 4.45Å
253F98.8Very high97.2Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-113.6121.8177.3-62-37.5000111.2L186 L209 G211 A216 I230 I233 A234 V251 T260 V261L186-F253 HydrophobicContact CD1-CE1 3.84Å; L186-F253 HydrophobicContact CD1-CZ 4.32Å; L209-F253 HydrophobicContact CD2-CE1 4.42Å; G211-F253 WeakPolarHBondContact O-CA 3.43Å; A216-F253 HydrophobicContact CB-CD1 4.1Å; A216-F253 HydrophobicContact CB-CD2 3.75Å; A216-F253 HydrophobicContact CB-CE1 4.05Å; A216-F253 HydrophobicContact CB-CE2 3.69Å; A216-F253 HydrophobicContact CB-CG 3.96Å; A216-F253 HydrophobicContact CB-CZ 3.84Å; I230-F253 HydrophobicContact CD1-CB 4.04Å; I230-F253 HydrophobicContact CD1-CD2 3.71Å; I230-F253 HydrophobicContact CD1-CG 4.17Å; I230-F253 HydrophobicContact CG1-CB 4.26Å; I230-F253 HydrophobicContact CG1-CD2 4.22Å; I233-F253 HydrophobicContact CG2-CE2 3.96Å; A234-F253 HydrophobicContact CB-CD2 3.92Å; A234-F253 HydrophobicContact CB-CE2 3.96Å; V251-F253 HydrophobicContact CG1-CD1 4.04Å; V251-F253 HydrophobicContact CG1-CD2 3.88Å; V251-F253 HydrophobicContact CG1-CE1 3.58Å; V251-F253 HydrophobicContact CG1-CE2 3.39Å; V251-F253 HydrophobicContact CG1-CG 4.18Å; V251-F253 HydrophobicContact CG1-CZ 3.23Å; F253-T260 CarbonylContact O-C 3.47Å; F253-T260 WeakPolarHBondContact O-CA 3.25Å; F253-V261 HydrophobicContact CB-CB 4.36Å; F253-V261 PolarHBondContact N-O 3.39Å; F253-V261 PolarHBondContact O-N 3.32Å
254T98.4Very high96.8Very high26 Ų2646.9 Ų46.916%0.1626%0.255CS..EExtended strand (participates in β ladder)trans-81.8154.3172.757.40000110.4G211 N212 E213 T260 F291G211-T254 PolarHBondContact O-N 3.3Å; G211-T254 PolarHBondContact O-OG1 3.19Å; N212-T254 CarbonylContact C-O 3.57Å; N212-T254 VanDerWaalsContact CA-O 3.31Å; N212-T254 WeakPolarHBondContact CA-O 3.42Å; E213-T254 PolarHBondContact N-O 2.93Å; E213-T254 VanDerWaalsContact N-O 3.08Å; E213-T254 VanDerWaalsContact OE2-O 3.1Å; T254-T260 HydrophobicContact CG2-CG2 4.39Å; T254-F291 HydrophobicContact CG2-CD1 3.69Å; T254-F291 HydrophobicContact CG2-CD2 4.14Å; T254-F291 HydrophobicContact CG2-CE1 3.91Å; T254-F291 HydrophobicContact CG2-CE2 4.34Å; T254-F291 HydrophobicContact CG2-CG 3.83Å; T254-F291 HydrophobicContact CG2-CZ 4.23Å
255Q96.6Very high96.4Very high31 Ų3148 Ų4815%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-135.837.9-177.9-56.5-16794.800112E213 K257 D258 D259 V261E213-Q255 HydrophobicContact CB-CG 4.21Å; E213-Q255 WeakPolarHBondContact OE2-CA 3.48Å; Q255-K257 PolarHBondContact O-N 2.75Å; Q255-D258 HydrophobicContact CB-CB 3.83Å; Q255-D258 PolarHBondContact O-N 3.44Å; Q255-D259 PolarHBondContact NE2-O 2.9Å; Q255-V261 HydrophobicContact CG-CG2 4.48Å
256G91.2Very high96Very high58 Ų5849.1 Ų49.160%0.59826%0.261SS*.THydrogen-bonded Turntrans60.1-108.6-17300000112.1
257K91.4Very high95.8Very high163 Ų16348.8 Ų48.871%0.70926%0.26SS*.THydrogen-bonded Turntrans-85.5-18.7178.366.9178.6-177.3177.50113.6Q255Q255-K257 PolarHBondContact O-N 2.75Å
258D95.3Very high95.9Very high93 Ų9346.9 Ų46.950%0.49726%0.258SS..EExtended strand (participates in β ladder)trans-82.6163.2179.7-59.9-31000109.9Q255 T260 V273Q255-D258 HydrophobicContact CB-CB 3.83Å; Q255-D258 PolarHBondContact O-N 3.44Å; D258-T260 PolarHBondContact O-N 3.26Å; D258-V273 WeakPolarHBondContact O-CG2 3.18Å
259D97.9Very high95.9Very high59 Ų5944.6 Ų44.632%0.31625%0.251SS..EExtended strand (participates in β ladder)trans-50.8137-174.5-69.17.7000113.1Q255 M270 F271 P272Q255-D259 PolarHBondContact NE2-O 2.9Å; D259-M270 HydrophobicContact CB-CB 3.97Å; D259-M270 HydrophobicContact CB-CE 3.57Å; D259-M270 WeakPolarHBondContact OD2-CB 3.35Å; D259-F271 CarbonylContact C-O 3.55Å; D259-F271 WeakPolarHBondContact CA-O 3.49Å; D259-P272 WeakPolarHBondContact OD1-CA 3.3Å
260T98.6Very high95.9Very high2 Ų248.1 Ų48.11%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-73.2131.1169.2-63.40000110V252 F253 T254 D258 M270 F271 F291 H313V252-T260 HydrophobicContact CG1-CG2 3.78Å; F253-T260 CarbonylContact O-C 3.47Å; F253-T260 WeakPolarHBondContact O-CA 3.25Å; T254-T260 HydrophobicContact CG2-CG2 4.39Å; D258-T260 PolarHBondContact O-N 3.26Å; T260-M270 CarbonylContact O-C 3.56Å; T260-F271 PolarHBondContact N-O 2.92Å; T260-F271 PolarHBondContact O-N 3.11Å; T260-F291 HydrophobicContact CG2-CE2 4.29Å; T260-F291 HydrophobicContact CG2-CZ 3.9Å; T260-H313 PolarHBondContact OG1-NE2 3.3Å
261V98.3Very high95.8Very high0 Ų048.1 Ų48.10%027%0.267CS..EExtended strand (participates in β ladder)trans-93.2127.9179.4-173.60000108.8I230 A234 V252 F253 Q255 V268 M270I230-V261 HydrophobicContact CB-CG2 4.35Å; I230-V261 HydrophobicContact CG1-CB 4.43Å; I230-V261 HydrophobicContact CG1-CG2 3.76Å; I230-V261 HydrophobicContact CG2-CG2 3.69Å; A234-V261 HydrophobicContact CB-CG1 3.91Å; V252-V261 CarbonylContact C-O 3.23Å; V252-V261 VanDerWaalsContact CA-O 3.31Å; V252-V261 WeakPolarHBondContact CA-O 3.44Å; F253-V261 HydrophobicContact CB-CB 4.36Å; F253-V261 PolarHBondContact N-O 3.39Å; F253-V261 PolarHBondContact O-N 3.32Å; Q255-V261 HydrophobicContact CG-CG2 4.48Å; V261-V268 HydrophobicContact CG1-CG1 3.32Å; V261-M270 HydrophobicContact CB-SD 4.37Å; V261-M270 HydrophobicContact CG1-SD 4.27Å; V261-M270 HydrophobicContact CG2-CE 3.59Å; V261-M270 HydrophobicContact CG2-SD 3.79Å
262A98.6Very high95.7Very high0 Ų052.5 Ų52.50%030%0.296CS..EExtended strand (participates in β ladder)trans-137.8145.5170.400000113.3L250 V251 V252 T269 F271 L305 I309L250-A262 HydrophobicContact CD1-CB 4.39Å; V251-A262 WeakPolarHBondContact O-CA 3.34Å; V252-A262 HydrophobicContact CG2-CB 4.21Å; A262-T269 PolarHBondContact N-O 3.38Å; A262-T269 PolarHBondContact O-N 3.47Å; A262-F271 HydrophobicContact CB-CD2 4.2Å; A262-F271 HydrophobicContact CB-CE2 3.88Å; A262-L305 HydrophobicContact CB-CD2 4.44Å; A262-I309 HydrophobicContact CB-CD1 3.75Å
263T98Very high95.5Very high4 Ų454.3 Ų54.33%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-85.6125176.559.10000111.1A234 Q238 L250 V251 K267 V268A234-T263 HydrophobicContact CB-CG2 4.07Å; Q238-T263 HydrophobicContact CB-CG2 4.08Å; Q238-T263 HydrophobicContact CG-CG2 4.2Å; L250-T263 WeakPolarHBondContact CA-OG1 3.31Å; L250-T263 WeakPolarHBondContact CD1-O 2.99Å; V251-T263 HydrophobicContact CB-CG2 4Å; V251-T263 HydrophobicContact CG2-CG2 4.49Å; V251-T263 PolarHBondContact N-OG1 3.43Å; V251-T263 PolarHBondContact O-N 2.84Å; T263-K267 CarbonylContact C-O 3.52Å; T263-K267 WeakPolarHBondContact CA-O 3.44Å; T263-V268 HydrophobicContact CG2-CG2 4.34Å
264V89.7Confident94.9Very high53 Ų5358.3 Ų58.332%0.32133%0.328SS..EExtended strand (participates in β ladder)trans-122.7102.8-178.7-170.30000109.3D266 K267 T269 L305V264-D266 PolarHBondContact O-N 2.85Å; V264-K267 PolarHBondContact N-O 3.15Å; V264-K267 PolarHBondContact O-N 3.2Å; V264-T269 WeakPolarHBondContact CG2-OG1 3.39Å; V264-L305 HydrophobicContact CG2-CD2 3.65Å
265G88.6Confident94.2Very high37 Ų3764.9 Ų64.938%0.38136%0.362SS..THydrogen-bonded Turntrans57.9-126.1-166.200000109.7Q238 K267Q238-G265 PolarHBondContact NE2-O 3.38Å; Q238-G265 PolarHBondContact OE1-O 3.48Å; G265-K267 VanDerWaalsContact C-N 3.34Å
266D89.5Confident93.7Very high122 Ų12264.4 Ų64.465%0.65236%0.36SS*.THydrogen-bonded Turntrans-91.67.7177.7-56.1-35000113.7Q248 V264Q248-D266 PolarHBondContact NE2-OD1 2.81Å; Q248-D266 VanDerWaalsContact NE2-OD1 3.1Å; V264-D266 PolarHBondContact O-N 2.85Å
267K93.6Very high93.4Very high159 Ų15966 Ų6669%0.69135%0.354SS*.EExtended strand (participates in β ladder)trans-107.4160.7-179.7-64.9-176-178.7179.10111.3T263 V264 G265T263-K267 CarbonylContact C-O 3.52Å; T263-K267 WeakPolarHBondContact CA-O 3.44Å; V264-K267 PolarHBondContact N-O 3.15Å; V264-K267 PolarHBondContact O-N 3.2Å; G265-K267 VanDerWaalsContact C-N 3.34Å
268V96.9Very high92.9Very high45 Ų4564 Ų6427%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-109.1131.7167-174.70000108.2A231 H235 V261 T263A231-V268 HydrophobicContact CB-CB 4.24Å; A231-V268 HydrophobicContact CB-CG1 3.78Å; H235-V268 HydrophobicContact CB-CG2 3.9Å; V261-V268 HydrophobicContact CG1-CG1 3.32Å; T263-V268 HydrophobicContact CG2-CG2 4.34Å
269T97.8Very high92.3Very high53 Ų5366.4 Ų66.433%0.32536%0.361SS..EExtended strand (participates in β ladder)trans-119.5140.2-179.9-560000109.3A262 V264 F271A262-T269 PolarHBondContact N-O 3.38Å; A262-T269 PolarHBondContact O-N 3.47Å; V264-T269 WeakPolarHBondContact CG2-OG1 3.39Å; T269-F271 HydrophobicContact CG2-CD2 4.14Å; T269-F271 HydrophobicContact CG2-CE1 4.47Å; T269-F271 HydrophobicContact CG2-CE2 3.54Å; T269-F271 HydrophobicContact CG2-CZ 3.74Å
270M97.8Very high91.8Very high77 Ų7767.4 Ų67.438%0.37937%0.366SS..EExtended strand (participates in β ladder)trans-99.2132.9175.4-53.3-59-64.200108.8D259 T260 V261D259-M270 HydrophobicContact CB-CB 3.97Å; D259-M270 HydrophobicContact CB-CE 3.57Å; D259-M270 WeakPolarHBondContact OD2-CB 3.35Å; T260-M270 CarbonylContact O-C 3.56Å; V261-M270 HydrophobicContact CB-SD 4.37Å; V261-M270 HydrophobicContact CG1-SD 4.27Å; V261-M270 HydrophobicContact CG2-CE 3.59Å; V261-M270 HydrophobicContact CG2-SD 3.79Å
271F97.8Very high91Very high28 Ų2869.5 Ų69.512%0.12338%0.377CS..EExtended strand (participates in β ladder)trans-117.6107.4-179.2-70-93.6000108.9D259 T260 A262 T269 V273 E306 I309D259-F271 CarbonylContact C-O 3.55Å; D259-F271 WeakPolarHBondContact CA-O 3.49Å; T260-F271 PolarHBondContact N-O 2.92Å; T260-F271 PolarHBondContact O-N 3.11Å; A262-F271 HydrophobicContact CB-CD2 4.2Å; A262-F271 HydrophobicContact CB-CE2 3.88Å; T269-F271 HydrophobicContact CG2-CD2 4.14Å; T269-F271 HydrophobicContact CG2-CE1 4.47Å; T269-F271 HydrophobicContact CG2-CE2 3.54Å; T269-F271 HydrophobicContact CG2-CZ 3.74Å; F271-V273 PolarHBondContact O-N 3.28Å; F271-E306 HydrophobicContact CE1-CB 4.38Å; F271-E306 HydrophobicContact CE1-CG 4.04Å; F271-I309 HydrophobicContact CB-CD1 4.46Å; F271-I309 HydrophobicContact CB-CG2 3.71Å; F271-I309 HydrophobicContact CD1-CB 4.36Å; F271-I309 HydrophobicContact CD1-CD1 3.88Å; F271-I309 HydrophobicContact CD1-CG2 4.04Å; F271-I309 HydrophobicContact CD2-CD1 3.39Å; F271-I309 HydrophobicContact CE1-CD1 3.89Å; F271-I309 HydrophobicContact CE2-CD1 3.4Å; F271-I309 VanDerWaalsContact CE2-CD1 3.4Å; F271-I309 HydrophobicContact CG-CB 4.49Å; F271-I309 HydrophobicContact CG-CD1 3.64Å; F271-I309 HydrophobicContact CG-CG2 3.87Å; F271-I309 HydrophobicContact CZ-CD1 3.66Å
272P96.9Very high90.2Very high92 Ų9273 Ų7360%0.59740%0.398SS*.PPolyproline II helixtrans-56.5133.8179.2-26.135000111.7D259 H313D259-P272 WeakPolarHBondContact OD1-CA 3.3Å; P272-H313 PolarHBondContact O-CE1 3.38Å; P272-H313 PolarHBondContact O-ND1 3.48Å
273V93.8Very high89Confident38 Ų3873.7 Ų73.723%0.2340%0.402CS..PPolyproline II helixtrans-74.9146.3172.9-1790000108.6D258 F271 D275D258-V273 WeakPolarHBondContact O-CG2 3.18Å; F271-V273 PolarHBondContact O-N 3.28Å; V273-D275 PolarHBondContact O-N 3.31Å
274L85.3Confident88.1Confident85 Ų8578.3 Ų78.345%0.44543%0.43SS..PPolyproline II helixtrans-56.4131.2173.7-64.4171.7000109.9I276 H313 N317L274-I276 VanDerWaalsContact O-CG1 3.27Å; L274-I276 WeakPolarHBondContact O-CG1 3.31Å; L274-H313 HydrophobicContact CD1-CB 4.31Å; L274-H313 HydrophobicContact CG-CB 4.35Å; L274-N317 HydrophobicContact CD1-CB 4.31Å
275D84.7Confident87.4Confident163 Ų16377.2 Ų77.287%0.87242%0.422SS*.PPolyproline II helixtrans-68.2139.2176.5-165.312.4000110.7V273V273-D275 PolarHBondContact O-N 3.31Å
276I85Confident87.2Confident21 Ų2175.8 Ų75.811%0.10841%0.407CS..  trans-142.3130.1-173.7-43.7179000108.6L274 Q278 D280 I281 N317 I320L274-I276 VanDerWaalsContact O-CG1 3.27Å; L274-I276 WeakPolarHBondContact O-CG1 3.31Å; I276-Q278 PolarHBondContact O-N 2.68Å; I276-Q278 PolarHBondContact O-NE2 3Å; I276-D280 HydrophobicContact CG2-CB 4.27Å; I276-I281 HydrophobicContact CG2-CG1 4.26Å; I276-N317 HydrophobicContact CD1-CB 4.26Å; I276-N317 WeakPolarHBondContact CD1-ND2 3.23Å; I276-N317 WeakPolarHBondContact CG1-ND2 3.48Å; I276-I320 HydrophobicContact CD1-CD1 3.55Å
277D84.9Confident87.3Confident91 Ų9171.1 Ų71.149%0.48739%0.386SS..  trans-58.3123.6167.3-167.5-32.2000109N279 D280D277-N279 PolarHBondContact O-N 3.18Å; D277-N279 VanDerWaalsContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CB 3.36Å; D277-N279 PolarHBondContact OD1-N 2.59Å; D277-N279 PolarHBondContact OD1-ND2 2.88Å; D277-D280 WeakPolarHBondContact O-CB 3.47Å; D277-D280 PolarHBondContact O-N 3.32Å
278Q81.2Confident87.3Confident123 Ų12365.2 Ų65.258%0.57537%0.37SS*.G310 helixtrans-59.4-23.9-179.3-62.6-61.7-69.600112I276 D280 I281I276-Q278 PolarHBondContact O-N 2.68Å; I276-Q278 PolarHBondContact O-NE2 3Å; Q278-D280 VanDerWaalsContact C-N 3.26Å; Q278-D280 PolarHBondContact O-N 3.42Å; Q278-I281 PolarHBondContact O-N 3.25Å
279N84.1Confident87.3Confident143 Ų14364.1 Ų64.177%0.76536%0.363SS*.G310 helixtrans-71.5-18.1175.4-58.4-59.4000113.6D277D277-N279 PolarHBondContact O-N 3.18Å; D277-N279 VanDerWaalsContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CB 3.36Å; D277-N279 PolarHBondContact OD1-N 2.59Å; D277-N279 PolarHBondContact OD1-ND2 2.88Å
280D86Confident87.3Confident79 Ų7961.6 Ų61.642%0.42235%0.347SS..G310 helixtrans-84.4-14.6175.1-70.7-20.7000112.2I276 D277 Q278 V282 R321I276-D280 HydrophobicContact CG2-CB 4.27Å; D277-D280 WeakPolarHBondContact O-CB 3.47Å; D277-D280 PolarHBondContact O-N 3.32Å; Q278-D280 VanDerWaalsContact C-N 3.26Å; Q278-D280 PolarHBondContact O-N 3.42Å; D280-V282 PolarHBondContact O-N 3.2Å; D280-R321 HydrophobicContact CB-CG 4.32Å; D280-R321 WeakPolarHBondContact O-CA 3.23Å; D280-R321 WeakPolarHBondContact O-CG 3.26Å; D280-R321 IonicContact OD2-NE 2.64Å
281I83.3Confident87.4Confident46 Ų4658.1 Ų58.124%0.23633%0.33CS..  trans-77.4114.6179.6-57.4-179.3000108.4I276 Q278 T284 I320I276-I281 HydrophobicContact CG2-CG1 4.26Å; Q278-I281 PolarHBondContact O-N 3.25Å; I281-T284 HydrophobicContact CG2-CG2 3.93Å; I281-I320 HydrophobicContact CD1-CD1 4.38Å; I281-I320 HydrophobicContact CG1-CD1 4.21Å; I281-I320 HydrophobicContact CG2-CB 4.44Å
282V79.8Confident87.4Confident75 Ų7556.9 Ų56.946%0.45533%0.325SS..  trans-98.6-39.1179.1176.90000111D280 I320 R321 V323D280-V282 PolarHBondContact O-N 3.2Å; V282-I320 PolarHBondContact N-O 2.91Å; V282-R321 WeakPolarHBondContact CG2-O 3.24Å; V282-V323 HydrophobicContact CG1-CG2 3.84Å
283D73.8Confident87.5Confident14 Ų1452.5 Ų52.58%0.07530%0.297CS..  trans-158.4119.3-175.5-172.5-0.7000111.8R121 N285 I320 R322 G324R121-D283 WeakPolarHBondContact CD-OD2 3.35Å; R121-D283 IonicContact CZ-OD2 3.64Å; R121-D283 IonicContact NE-OD2 2.77Å; R121-D283 PolarHBondContact NE-OD2 3.33Å; R121-D283 IonicContact NH1-OD1 3.62Å; R121-D283 IonicContact NH1-OD2 3.4Å; R121-D283 PolarHBondContact NH1-OD2 2.65Å; R121-D283 IonicContact NH2-OD2 2.65Å; D283-N285 VanDerWaalsContact C-N 3.27Å; D283-N285 PolarHBondContact O-N 3.29Å; D283-N285 WeakPolarHBondContact OD1-CB 3.46Å; D283-N285 PolarHBondContact OD1-N 3.14Å; D283-I320 PolarHBondContact N-O 3.15Å; D283-I320 WeakPolarHBondContact O-CA 3.35Å; D283-I320 WeakPolarHBondContact O-CB 3.11Å; D283-R322 VanDerWaalsContact CB-O 3.29Å; D283-R322 WeakPolarHBondContact CB-O 3.38Å; D283-G324 WeakPolarHBondContact OD2-CA 3.34Å; D283-G324 PolarHBondContact OD2-N 2.74Å
284T79Confident87.7Confident101 Ų10150.7 Ų50.762%0.6229%0.286SS*.  trans-80.9-7.5176.756.90000113.2I281 G286 A287I281-T284 HydrophobicContact CG2-CG2 3.93Å; T284-G286 PolarHBondContact O-N 3.4Å; T284-A287 VanDerWaalsContact O-CB 3.23Å; T284-A287 WeakPolarHBondContact O-CB 3.41Å; T284-A287 PolarHBondContact O-N 3.14Å
285N75.7Confident88.4Confident29 Ų2946.8 Ų46.816%0.15527%0.265CS..THydrogen-bonded Turntrans-63.7131.5178.8-176.934.3000111.6R121 L123 D283 A287R121-N285 PolarHBondContact NH1-ND2 3.23Å; L123-N285 VanDerWaalsContact CD1-OD1 3.27Å; L123-N285 WeakPolarHBondContact CD1-OD1 3.39Å; D283-N285 VanDerWaalsContact C-N 3.27Å; D283-N285 PolarHBondContact O-N 3.29Å; D283-N285 WeakPolarHBondContact OD1-CB 3.46Å; D283-N285 PolarHBondContact OD1-N 3.14Å; N285-A287 PolarHBondContact O-N 3.27Å
286G84Confident89Confident7 Ų739.5 Ų39.57%0.07223%0.226CC..THydrogen-bonded Turntrans76.36.1-178.500000114.1T284 G288 D289 A290T284-G286 PolarHBondContact O-N 3.4Å; G286-G288 VanDerWaalsContact C-N 3.32Å; G286-G288 PolarHBondContact O-N 3.17Å; G286-D289 PolarHBondContact O-N 3.32Å; G286-A290 VanDerWaalsContact O-CB 3.26Å; G286-A290 WeakPolarHBondContact O-CB 3.42Å; G286-A290 PolarHBondContact O-N 2.98Å
287A91.1Very high89.7Confident25 Ų2539.8 Ų39.821%0.20723%0.226CC..Hα-helixtrans-58.9-43.3173.200000112T284 N285 A290 F291 I320T284-A287 VanDerWaalsContact O-CB 3.23Å; T284-A287 WeakPolarHBondContact O-CB 3.41Å; T284-A287 PolarHBondContact O-N 3.14Å; N285-A287 PolarHBondContact O-N 3.27Å; A287-A290 WeakPolarHBondContact O-CB 3.24Å; A287-A290 PolarHBondContact O-N 3.48Å; A287-F291 WeakPolarHBondContact O-CB 3.29Å; A287-F291 PolarHBondContact O-N 3.05Å; A287-I320 HydrophobicContact CB-CG2 3.51Å
288G94.6Very high90.3Very high35 Ų3535.4 Ų35.436%0.36120%0.203SC..Hα-helixtrans-64.9-41.9174.500000112.6G286 A290 F291 V292G286-G288 VanDerWaalsContact C-N 3.32Å; G286-G288 PolarHBondContact O-N 3.17Å; G288-A290 VanDerWaalsContact C-N 3.28Å; G288-A290 PolarHBondContact O-N 3.06Å; G288-F291 PolarHBondContact O-N 3.11Å; G288-V292 WeakPolarHBondContact O-CG2 3.39Å; G288-V292 PolarHBondContact O-N 3.4Å
289D96.9Very high91.2Very high21 Ų2130.7 Ų30.711%0.11218%0.182CC..Hα-helixtrans-61.8-39.8175.4-63.8-23.8000111.4S54 N57 S58 G286 V292 G293S54-D289 WeakPolarHBondContact CA-OD1 3.4Å; S54-D289 WeakPolarHBondContact CA-OD2 3.49Å; S54-D289 VanDerWaalsContact CB-OD1 3.26Å; S54-D289 WeakPolarHBondContact CB-OD1 3.48Å; S54-D289 PolarHBondContact OG-OD1 3.43Å; N57-D289 HydrophobicContact CB-CB 3.58Å; N57-D289 WeakPolarHBondContact CB-OD2 3.35Å; N57-D289 PolarHBondContact ND2-OD2 2.8Å; S58-D289 WeakPolarHBondContact CA-O 3.35Å; S58-D289 WeakPolarHBondContact CB-O 3.23Å; S58-D289 WeakPolarHBondContact OG-CA 3.47Å; S58-D289 PolarHBondContact OG-O 3.29Å; G286-D289 PolarHBondContact O-N 3.32Å; D289-V292 PolarHBondContact O-N 3.33Å; D289-G293 PolarHBondContact O-N 2.96Å
290A97.9Very high91.8Very high0 Ų026.5 Ų26.50%016%0.161CC..Hα-helixtrans-66.1-45.7176.500000112.6I61 G286 A287 G288 V292 G293 G294 A315 A316 I319I61-A290 HydrophobicContact CD1-CB 3.8Å; G286-A290 VanDerWaalsContact O-CB 3.26Å; G286-A290 WeakPolarHBondContact O-CB 3.42Å; G286-A290 PolarHBondContact O-N 2.98Å; A287-A290 WeakPolarHBondContact O-CB 3.24Å; A287-A290 PolarHBondContact O-N 3.48Å; G288-A290 VanDerWaalsContact C-N 3.28Å; G288-A290 PolarHBondContact O-N 3.06Å; A290-V292 VanDerWaalsContact C-N 3.29Å; A290-V292 PolarHBondContact O-N 3.28Å; A290-G293 PolarHBondContact O-N 2.78Å; A290-G293 VanDerWaalsContact O-N 3.12Å; A290-G294 PolarHBondContact O-N 2.83Å; A290-A315 HydrophobicContact CB-CB 4.39Å; A290-A315 VanDerWaalsContact O-CB 3.22Å; A290-A315 WeakPolarHBondContact O-CB 3.48Å; A290-A316 HydrophobicContact CB-CB 4.47Å; A290-I319 HydrophobicContact CB-CB 3.87Å; A290-I319 HydrophobicContact CB-CG1 3.42Å; A290-I319 VanDerWaalsContact CB-CG1 3.42Å; A290-I319 HydrophobicContact CB-CG2 4.36Å
291F98.6Very high92.3Very high5 Ų526.8 Ų26.82%0.02216%0.16CC..Hα-helixtrans-54.5-49.3173.3177.4-90.1000110.9F210 V252 T254 T260 A287 G288 G293 G294 F295 I309 G312 H313 A316F210-F291 HydrophobicContact CD1-CE1 4.33Å; F210-F291 HydrophobicContact CE1-CE1 4.35Å; V252-F291 HydrophobicContact CG1-CE1 3.7Å; V252-F291 HydrophobicContact CG1-CZ 3.82Å; T254-F291 HydrophobicContact CG2-CD1 3.69Å; T254-F291 HydrophobicContact CG2-CD2 4.14Å; T254-F291 HydrophobicContact CG2-CE1 3.91Å; T254-F291 HydrophobicContact CG2-CE2 4.34Å; T254-F291 HydrophobicContact CG2-CG 3.83Å; T254-F291 HydrophobicContact CG2-CZ 4.23Å; T260-F291 HydrophobicContact CG2-CE2 4.29Å; T260-F291 HydrophobicContact CG2-CZ 3.9Å; A287-F291 WeakPolarHBondContact O-CB 3.29Å; A287-F291 PolarHBondContact O-N 3.05Å; G288-F291 PolarHBondContact O-N 3.11Å; F291-G293 PolarHBondContact O-N 3.25Å; F291-G294 PolarHBondContact O-N 3.45Å; F291-F295 HydrophobicContact CE1-CD2 4.32Å; F291-F295 HydrophobicContact CZ-CD2 4.35Å; F291-F295 WeakPolarHBondContact O-CB 3.39Å; F291-F295 PolarHBondContact O-N 3.26Å; F291-I309 HydrophobicContact CE2-CG2 4.33Å; F291-I309 HydrophobicContact CZ-CG1 4.49Å; F291-I309 HydrophobicContact CZ-CG2 4.46Å; F291-G312 WeakPolarHBondContact CA-O 3.48Å; F291-G312 WeakPolarHBondContact O-CA 3.48Å; F291-H313 AromaticContact CD2-CD2 3.75Å; F291-H313 AromaticContact CE2-CD2 3.5Å; F291-H313 VanDerWaalsContact CE2-CD2 3.5Å; F291-H313 WeakPolarHBondContact CE2-CD2 3.36Å; F291-H313 AromaticContact CE2-NE2 3.83Å; F291-A316 HydrophobicContact CB-CB 4.34Å
292V98.8Very high93Very high2 Ų231.5 Ų31.51%0.01218%0.181CC..Hα-helixtrans-64.2-41.4177.3176.90000111.3Y155 F210 G288 D289 A290 G294 F295 L296Y155-V292 HydrophobicContact CD1-CG1 4.22Å; Y155-V292 HydrophobicContact CD2-CG1 4Å; Y155-V292 HydrophobicContact CE1-CG1 3.85Å; Y155-V292 HydrophobicContact CE2-CG1 3.61Å; Y155-V292 HydrophobicContact CG-CG1 4.29Å; F210-V292 HydrophobicContact CB-CG2 4.02Å; F210-V292 HydrophobicContact CD1-CG2 3.92Å; F210-V292 HydrophobicContact CD2-CG1 4.21Å; F210-V292 HydrophobicContact CD2-CG2 4.15Å; F210-V292 HydrophobicContact CE1-CG2 4.42Å; F210-V292 HydrophobicContact CE2-CG1 4.09Å; F210-V292 HydrophobicContact CG-CG2 3.77Å; F210-V292 HydrophobicContact CZ-CG1 4.43Å; G288-V292 WeakPolarHBondContact O-CG2 3.39Å; G288-V292 PolarHBondContact O-N 3.4Å; D289-V292 PolarHBondContact O-N 3.33Å; A290-V292 VanDerWaalsContact C-N 3.29Å; A290-V292 PolarHBondContact O-N 3.28Å; V292-G294 PolarHBondContact O-N 2.83Å; V292-F295 WeakPolarHBondContact O-CB 3.41Å; V292-F295 PolarHBondContact O-N 2.62Å; V292-L296 HydrophobicContact CG1-CD1 3.76Å; V292-L296 HydrophobicContact CG1-CG 3.99Å; V292-L296 WeakPolarHBondContact O-CB 3.49Å; V292-L296 WeakPolarHBondContact O-CG 3.46Å; V292-L296 PolarHBondContact O-N 3.37Å
293G98.7Very high93.8Very high0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-58.8-45.6177.200000113.2S58 A62 D289 A290 F291 L296 F297S58-G293 WeakPolarHBondContact O-CA 3.33Å; A62-G293 WeakPolarHBondContact CA-O 3.43Å; A62-G293 WeakPolarHBondContact CB-O 3.36Å; D289-G293 PolarHBondContact O-N 2.96Å; A290-G293 PolarHBondContact O-N 2.78Å; A290-G293 VanDerWaalsContact O-N 3.12Å; F291-G293 PolarHBondContact O-N 3.25Å; G293-L296 PolarHBondContact O-N 3.01Å; G293-F297 PolarHBondContact O-N 3.25Å
294G98.7Very high95Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-66.4-40.7175.500000112.8M65 A290 F291 V292 L296 F297 A298 A311M65-G294 WeakPolarHBondContact SD-CA 3.22Å; A290-G294 PolarHBondContact O-N 2.83Å; F291-G294 PolarHBondContact O-N 3.45Å; V292-G294 PolarHBondContact O-N 2.83Å; G294-L296 VanDerWaalsContact C-N 3.35Å; G294-L296 PolarHBondContact O-N 2.84Å; G294-F297 WeakPolarHBondContact O-CB 3.42Å; G294-F297 PolarHBondContact O-N 3.31Å; G294-A298 PolarHBondContact O-N 3.37Å; G294-A311 WeakPolarHBondContact O-CB 3.46Å
295F98.9Very high95.9Very high2 Ų231.5 Ų31.51%0.00918%0.176CC..Hα-helixtrans-58.2-47.8173.2-168.5-70.4000111.4I208 F210 L250 V252 F291 V292 F297 A298 L299 L305 C308 I309I208-F295 HydrophobicContact CD1-CE1 4.04Å; F210-F295 HydrophobicContact CE1-CB 4.32Å; F210-F295 AromaticContact CE1-CD1 3.99Å; F210-F295 HydrophobicContact CE1-CD1 3.99Å; F210-F295 AromaticContact CE1-CD2 3.95Å; F210-F295 HydrophobicContact CE1-CD2 3.95Å; F210-F295 HydrophobicContact CE1-CE1 4.32Å; F210-F295 HydrophobicContact CE1-CE2 4.26Å; F210-F295 AromaticContact CE1-CG 3.81Å; F210-F295 HydrophobicContact CE1-CG 3.81Å; F210-F295 HydrophobicContact CE1-CZ 4.45Å; F210-F295 HydrophobicContact CZ-CB 4.4Å; F210-F295 AromaticContact CZ-CD1 3.59Å; F210-F295 HydrophobicContact CZ-CD1 3.59Å; F210-F295 HydrophobicContact CZ-CD2 4.39Å; F210-F295 AromaticContact CZ-CE1 3.92Å; F210-F295 HydrophobicContact CZ-CE1 3.92Å; F210-F295 AromaticContact CZ-CG 3.87Å; F210-F295 HydrophobicContact CZ-CG 3.87Å; F210-F295 HydrophobicContact CZ-CZ 4.44Å; L250-F295 HydrophobicContact CD2-CZ 3.89Å; V252-F295 HydrophobicContact CG2-CE2 4.11Å; V252-F295 HydrophobicContact CG2-CZ 4.45Å; F291-F295 HydrophobicContact CE1-CD2 4.32Å; F291-F295 HydrophobicContact CZ-CD2 4.35Å; F291-F295 WeakPolarHBondContact O-CB 3.39Å; F291-F295 PolarHBondContact O-N 3.26Å; V292-F295 WeakPolarHBondContact O-CB 3.41Å; V292-F295 PolarHBondContact O-N 2.62Å; F295-F297 VanDerWaalsContact C-N 3.32Å; F295-F297 PolarHBondContact O-N 3.42Å; F295-A298 PolarHBondContact O-N 3.49Å; F295-L299 HydrophobicContact CD1-CB 4.28Å; F295-L299 HydrophobicContact CD1-CD2 4.42Å; F295-L299 HydrophobicContact CE1-CB 4.3Å; F295-L299 HydrophobicContact CE1-CD1 4.43Å; F295-L299 HydrophobicContact CE1-CD2 4.15Å; F295-L299 VanDerWaalsContact O-CB 3.31Å; F295-L299 WeakPolarHBondContact O-CB 3.45Å; F295-L299 PolarHBondContact O-N 3.47Å; F295-L305 HydrophobicContact CE2-CD1 3.74Å; F295-L305 HydrophobicContact CZ-CD1 3.73Å; F295-C308 WeakPolarHBondContact CA-O 3.49Å; F295-C308 HydrophobicContact CD1-CB 3.86Å; F295-C308 HydrophobicContact CD2-CB 3.55Å; F295-C308 HydrophobicContact CE1-CB 3.76Å; F295-C308 HydrophobicContact CE2-CB 3.46Å; F295-C308 VanDerWaalsContact CE2-CB 3.46Å; F295-C308 HydrophobicContact CG-CB 3.75Å; F295-C308 HydrophobicContact CZ-CB 3.56Å; F295-I309 HydrophobicContact CD2-CG1 4.3Å; F295-I309 HydrophobicContact CE2-CG1 3.98Å
296L98.8Very high96.9Very high11 Ų1134.7 Ų34.76%0.05819%0.19CC..Hα-helixtrans-64.3-36.2-180-69.4174.6000112.1A62 V153 Y155 V292 G293 G294 A298 L299 V300A62-L296 HydrophobicContact CB-CB 4.21Å; V153-L296 HydrophobicContact CG1-CD2 3.91Å; Y155-L296 HydrophobicContact CD1-CD1 3.83Å; Y155-L296 HydrophobicContact CD2-CD1 4.47Å; Y155-L296 HydrophobicContact CG-CD1 3.74Å; V292-L296 HydrophobicContact CG1-CD1 3.76Å; V292-L296 HydrophobicContact CG1-CG 3.99Å; V292-L296 WeakPolarHBondContact O-CB 3.49Å; V292-L296 WeakPolarHBondContact O-CG 3.46Å; V292-L296 PolarHBondContact O-N 3.37Å; G293-L296 PolarHBondContact O-N 3.01Å; G294-L296 VanDerWaalsContact C-N 3.35Å; G294-L296 PolarHBondContact O-N 2.84Å; L296-A298 PolarHBondContact O-N 3.13Å; L296-L299 HydrophobicContact CD2-CD2 4.13Å; L296-L299 PolarHBondContact O-N 2.77Å; L296-V300 WeakPolarHBondContact O-CG1 3.05Å; L296-V300 WeakPolarHBondContact O-CG2 3.4Å; L296-V300 PolarHBondContact O-N 2.94Å
297F98.6Very high97.6Very high26 Ų2636.8 Ų36.811%0.11420%0.198CC..Hα-helixtrans-56-47.6174.1150.6-94.2000112.1M65 L66 G293 G294 F295 V300 Q301 A311 F333M65-F297 VanDerWaalsContact C-CD2 3.44Å; M65-F297 VanDerWaalsContact C-CE2 3.49Å; M65-F297 HydrophobicContact CB-CB 3.8Å; M65-F297 HydrophobicContact CB-CD1 4.05Å; M65-F297 HydrophobicContact CB-CD2 3.41Å; M65-F297 VanDerWaalsContact CB-CD2 3.41Å; M65-F297 HydrophobicContact CB-CE2 3.94Å; M65-F297 HydrophobicContact CB-CG 3.47Å; M65-F297 VanDerWaalsContact CB-CG 3.47Å; M65-F297 HydrophobicContact CB-CZ 4.47Å; M65-F297 HydrophobicContact CE-CD1 3.69Å; M65-F297 HydrophobicContact CE-CE1 3.81Å; M65-F297 HydrophobicContact CE-CG 4.3Å; M65-F297 HydrophobicContact CE-CZ 4.48Å; M65-F297 HydrophobicContact CG-CG 4.46Å; M65-F297 VanDerWaalsContact O-CE2 3.25Å; M65-F297 WeakPolarHBondContact O-CE2 3.39Å; M65-F297 HydrophobicContact SD-CB 4.38Å; M65-F297 HydrophobicContact SD-CD1 4.15Å; M65-F297 HydrophobicContact SD-CG 4.3Å; L66-F297 HydrophobicContact CB-CD2 4.41Å; L66-F297 HydrophobicContact CD2-CD2 3.72Å; L66-F297 HydrophobicContact CD2-CE2 4.12Å; L66-F297 HydrophobicContact CG-CD2 3.82Å; G293-F297 PolarHBondContact O-N 3.25Å; G294-F297 WeakPolarHBondContact O-CB 3.42Å; G294-F297 PolarHBondContact O-N 3.31Å; F295-F297 VanDerWaalsContact C-N 3.32Å; F295-F297 PolarHBondContact O-N 3.42Å; F297-V300 WeakPolarHBondContact O-CG2 3.38Å; F297-Q301 VanDerWaalsContact CD2-NE2 3.33Å; F297-Q301 PolarHBondContact O-NE2 3.3Å; F297-A311 HydrophobicContact CD1-CB 3.99Å; F297-A311 HydrophobicContact CE1-CB 4.4Å; F297-F333 AromaticContact CE1-CD1 3.81Å; F297-F333 HydrophobicContact CE1-CD1 3.81Å; F297-F333 AromaticContact CE1-CE1 3.81Å; F297-F333 HydrophobicContact CE1-CE1 3.81Å; F297-F333 HydrophobicContact CZ-CD1 4.31Å
298A98.6Very high97.9Very high0 Ų035.7 Ų35.70%019%0.189CC..Hα-helixtrans-73.7-37.4179.200000111.3G294 F295 L296 V300 Q301 E302 Q303 C308 A311G294-A298 PolarHBondContact O-N 3.37Å; F295-A298 PolarHBondContact O-N 3.49Å; L296-A298 PolarHBondContact O-N 3.13Å; A298-V300 PolarHBondContact O-N 3.17Å; A298-Q301 CarbonylContact O-C 3.58Å; A298-Q301 PolarHBondContact O-N 2.91Å; A298-Q301 VanDerWaalsContact O-N 3.14Å; A298-E302 PolarHBondContact O-N 2.83Å; A298-Q303 HydrophobicContact CB-CB 4.1Å; A298-Q303 HydrophobicContact CB-CG 4.3Å; A298-Q303 WeakPolarHBondContact O-CB 3.44Å; A298-Q303 WeakPolarHBondContact O-CG 3.29Å; A298-Q303 PolarHBondContact O-N 2.86Å; A298-C308 HydrophobicContact CB-CB 4.17Å; A298-A311 HydrophobicContact CB-CB 4.07Å
299L98.6Very high98.1Very high24 Ų2434.1 Ų34.113%0.12617%0.172CC..Hα-helixtrans-62.7-43.4-179.3-177.565.7000112.8V153 I181 I208 F295 L296 Q301 E302V153-L299 HydrophobicContact CG1-CD2 3.73Å; V153-L299 HydrophobicContact CG2-CD2 4.22Å; V153-L299 HydrophobicContact CG2-CG 4.21Å; I181-L299 HydrophobicContact CD1-CD1 4.23Å; I181-L299 HydrophobicContact CG2-CD2 4.32Å; I208-L299 HydrophobicContact CD1-CD1 4.13Å; I208-L299 HydrophobicContact CD1-CD2 3.61Å; F295-L299 HydrophobicContact CD1-CB 4.28Å; F295-L299 HydrophobicContact CD1-CD2 4.42Å; F295-L299 HydrophobicContact CE1-CB 4.3Å; F295-L299 HydrophobicContact CE1-CD1 4.43Å; F295-L299 HydrophobicContact CE1-CD2 4.15Å; F295-L299 VanDerWaalsContact O-CB 3.31Å; F295-L299 WeakPolarHBondContact O-CB 3.45Å; F295-L299 PolarHBondContact O-N 3.47Å; L296-L299 HydrophobicContact CD2-CD2 4.13Å; L296-L299 PolarHBondContact O-N 2.77Å; L299-Q301 PolarHBondContact O-N 2.75Å; L299-E302 PolarHBondContact O-N 3.05Å
300V97.4Very high98.2Very high54 Ų5437.3 Ų37.333%0.32718%0.182SC..Hα-helixtrans-68.9-17.9178.6-62.90000112.9L66 V153 L296 F297 A298 E302L66-V300 HydrophobicContact CD1-CG2 4.37Å; L66-V300 HydrophobicContact CD2-CG2 4.23Å; V153-V300 HydrophobicContact CB-CG1 4.02Å; V153-V300 HydrophobicContact CG2-CG1 3.85Å; L296-V300 WeakPolarHBondContact O-CG1 3.05Å; L296-V300 WeakPolarHBondContact O-CG2 3.4Å; L296-V300 PolarHBondContact O-N 2.94Å; F297-V300 WeakPolarHBondContact O-CG2 3.38Å; A298-V300 PolarHBondContact O-N 3.17Å; V300-E302 VanDerWaalsContact C-N 3.31Å
301Q96.8Very high98.2Very high86 Ų8637.3 Ų37.340%0.40218%0.182SC..THydrogen-bonded Turntrans-92.48.9172.4-66.1177.395.600112.5L66 F297 A298 L299 Q303L66-Q301 HydrophobicContact CD2-CG 4.26Å; F297-Q301 VanDerWaalsContact CD2-NE2 3.33Å; F297-Q301 PolarHBondContact O-NE2 3.3Å; A298-Q301 CarbonylContact O-C 3.58Å; A298-Q301 PolarHBondContact O-N 2.91Å; A298-Q301 VanDerWaalsContact O-N 3.14Å; L299-Q301 PolarHBondContact O-N 2.75Å; Q301-Q303 HydrophobicContact CB-CG 4.06Å; Q301-Q303 PolarHBondContact O-N 3.06Å
302E97.3Very high98.2Very high144 Ų14437 Ų3767%0.67318%0.181SC*.THydrogen-bonded Turntrans59.630.5175.6-55.3176.1-162.900112.7K152 A298 L299 V300K152-E302 IonicContact NZ-OE1 2.69Å; K152-E302 PolarHBondContact NZ-OE1 3.07Å; A298-E302 PolarHBondContact O-N 2.83Å; L299-E302 PolarHBondContact O-N 3.05Å; V300-E302 VanDerWaalsContact C-N 3.31Å
303Q98.2Very high98.2Very high98 Ų9837.7 Ų37.746%0.45818%0.184SC..  trans-73.4167.3176.5-61.2-64-32.700112.2A298 Q301 E307A298-Q303 HydrophobicContact CB-CB 4.1Å; A298-Q303 HydrophobicContact CB-CG 4.3Å; A298-Q303 WeakPolarHBondContact O-CB 3.44Å; A298-Q303 WeakPolarHBondContact O-CG 3.29Å; A298-Q303 PolarHBondContact O-N 2.86Å; Q301-Q303 HydrophobicContact CB-CG 4.06Å; Q301-Q303 PolarHBondContact O-N 3.06Å; Q303-E307 HydrophobicContact CB-CB 4.04Å; Q303-E307 HydrophobicContact CB-CG 4.15Å; Q303-E307 HydrophobicContact CG-CG 4.44Å
304S97.6Very high98.1Very high60 Ų6039.2 Ų39.242%0.4219%0.19SC..  trans-68.4164.1177.987.10000112.3E306 E307 C308S304-E306 VanDerWaalsContact C-N 3.32Å; S304-E306 WeakPolarHBondContact CB-OE2 3.42Å; S304-E306 PolarHBondContact O-N 3.38Å; S304-E306 PolarHBondContact OG-OE2 2.98Å; S304-E307 PolarHBondContact O-N 3.22Å; S304-E307 PolarHBondContact OG-N 3.5Å; S304-C308 PolarHBondContact O-N 3.31Å; S304-C308 PolarHBondContact O-SG 3.13Å
305L97.6Very high98.1Very high32 Ų3239.2 Ų39.217%0.16819%0.19CC..Hα-helixtrans-61.3-42.4178.1174.359.6000111.8L250 A262 V264 F295 E307 C308 I309L250-L305 HydrophobicContact CD1-CD1 4.12Å; L250-L305 HydrophobicContact CD1-CD2 3.96Å; L250-L305 HydrophobicContact CD2-CD1 3.61Å; A262-L305 HydrophobicContact CB-CD2 4.44Å; V264-L305 HydrophobicContact CG2-CD2 3.65Å; F295-L305 HydrophobicContact CE2-CD1 3.74Å; F295-L305 HydrophobicContact CZ-CD1 3.73Å; L305-E307 PolarHBondContact O-N 2.89Å; L305-C308 WeakPolarHBondContact O-CB 3.26Å; L305-C308 PolarHBondContact O-N 2.86Å; L305-C308 VanDerWaalsContact O-N 3.17Å; L305-I309 HydrophobicContact CD1-CD1 3.95Å; L305-I309 HydrophobicContact CD1-CG1 4.15Å; L305-I309 HydrophobicContact CG-CD1 4.02Å; L305-I309 WeakPolarHBondContact O-CG1 3.4Å; L305-I309 PolarHBondContact O-N 3.09Å
306E97.4Very high98Very high97 Ų9739.9 Ų39.945%0.45320%0.196SC..Hα-helixtrans-55.6-42.7176.7-59.372.8-164.200110.2F271 S304 I309 R310F271-E306 HydrophobicContact CE1-CB 4.38Å; F271-E306 HydrophobicContact CE1-CG 4.04Å; S304-E306 VanDerWaalsContact C-N 3.32Å; S304-E306 WeakPolarHBondContact CB-OE2 3.42Å; S304-E306 PolarHBondContact O-N 3.38Å; S304-E306 PolarHBondContact OG-OE2 2.98Å; E306-I309 PolarHBondContact O-N 2.89Å; E306-R310 WeakPolarHBondContact O-CB 3.3Å; E306-R310 PolarHBondContact O-N 3.2Å
307E98.2Very high97.8Very high51 Ų5140.3 Ų40.324%0.23820%0.198CC..Hα-helixtrans-73.3-34.1-179.7-16068.2164.800112.9Q303 S304 L305 R310 A311Q303-E307 HydrophobicContact CB-CB 4.04Å; Q303-E307 HydrophobicContact CB-CG 4.15Å; Q303-E307 HydrophobicContact CG-CG 4.44Å; S304-E307 PolarHBondContact O-N 3.22Å; S304-E307 PolarHBondContact OG-N 3.5Å; L305-E307 PolarHBondContact O-N 2.89Å; E307-R310 VanDerWaalsContact CD-NE 3.33Å; E307-R310 PolarHBondContact O-N 3.44Å; E307-R310 IonicContact OE1-CZ 2.99Å; E307-R310 IonicContact OE1-NE 3.92Å; E307-R310 PolarHBondContact OE1-NE 2.93Å; E307-R310 IonicContact OE1-NH2 3.97Å; E307-R310 PolarHBondContact OE1-NH2 3.19Å; E307-R310 IonicContact OE2-CZ 3.93Å; E307-R310 IonicContact OE2-NE 2.69Å; E307-R310 PolarHBondContact OE2-NE 3.18Å; E307-R310 IonicContact OE2-NH2 3.63Å; E307-A311 WeakPolarHBondContact O-CB 3.32Å; E307-A311 PolarHBondContact O-N 3.06Å
308C98.7Very high97.6Very high2 Ų239.9 Ų39.91%0.01420%0.198CC..Hα-helixtrans-62.8-43.5170.8-61.40000111.8F295 A298 S304 L305 G312F295-C308 WeakPolarHBondContact CA-O 3.49Å; F295-C308 HydrophobicContact CD1-CB 3.86Å; F295-C308 HydrophobicContact CD2-CB 3.55Å; F295-C308 HydrophobicContact CE1-CB 3.76Å; F295-C308 HydrophobicContact CE2-CB 3.46Å; F295-C308 VanDerWaalsContact CE2-CB 3.46Å; F295-C308 HydrophobicContact CG-CB 3.75Å; F295-C308 HydrophobicContact CZ-CB 3.56Å; A298-C308 HydrophobicContact CB-CB 4.17Å; S304-C308 PolarHBondContact O-N 3.31Å; S304-C308 PolarHBondContact O-SG 3.13Å; L305-C308 WeakPolarHBondContact O-CB 3.26Å; L305-C308 PolarHBondContact O-N 2.86Å; L305-C308 VanDerWaalsContact O-N 3.17Å; C308-G312 PolarHBondContact O-N 2.74Å
309I98.5Very high97.4Very high2 Ų239.9 Ų39.91%0.0120%0.198CC..Hα-helixtrans-67.2-43.1177.1-66.9173000110.5A262 F271 F291 F295 L305 E306 A311 G312 H313A262-I309 HydrophobicContact CB-CD1 3.75Å; F271-I309 HydrophobicContact CB-CD1 4.46Å; F271-I309 HydrophobicContact CB-CG2 3.71Å; F271-I309 HydrophobicContact CD1-CB 4.36Å; F271-I309 HydrophobicContact CD1-CD1 3.88Å; F271-I309 HydrophobicContact CD1-CG2 4.04Å; F271-I309 HydrophobicContact CD2-CD1 3.39Å; F271-I309 HydrophobicContact CE1-CD1 3.89Å; F271-I309 HydrophobicContact CE2-CD1 3.4Å; F271-I309 VanDerWaalsContact CE2-CD1 3.4Å; F271-I309 HydrophobicContact CG-CB 4.49Å; F271-I309 HydrophobicContact CG-CD1 3.64Å; F271-I309 HydrophobicContact CG-CG2 3.87Å; F271-I309 HydrophobicContact CZ-CD1 3.66Å; F291-I309 HydrophobicContact CE2-CG2 4.33Å; F291-I309 HydrophobicContact CZ-CG1 4.49Å; F291-I309 HydrophobicContact CZ-CG2 4.46Å; F295-I309 HydrophobicContact CD2-CG1 4.3Å; F295-I309 HydrophobicContact CE2-CG1 3.98Å; L305-I309 HydrophobicContact CD1-CD1 3.95Å; L305-I309 HydrophobicContact CD1-CG1 4.15Å; L305-I309 HydrophobicContact CG-CD1 4.02Å; L305-I309 WeakPolarHBondContact O-CG1 3.4Å; L305-I309 PolarHBondContact O-N 3.09Å; E306-I309 PolarHBondContact O-N 2.89Å; I309-A311 PolarHBondContact O-N 2.66Å; I309-G312 WeakPolarHBondContact O-CA 3.32Å; I309-G312 PolarHBondContact O-N 3Å; I309-G312 VanDerWaalsContact O-N 3.14Å; I309-H313 PolarHBondContact O-N 3.12Å
310R98.2Very high97Very high87 Ų8739.6 Ų39.633%0.32820%0.196SC..Hα-helixtrans-59.1-45.2176.9-167.6-177.171.694.1-8.4112E306 E307 G312 H313 Y314 F333 H334E306-R310 WeakPolarHBondContact O-CB 3.3Å; E306-R310 PolarHBondContact O-N 3.2Å; E307-R310 VanDerWaalsContact CD-NE 3.33Å; E307-R310 PolarHBondContact O-N 3.44Å; E307-R310 IonicContact OE1-CZ 2.99Å; E307-R310 IonicContact OE1-NE 3.92Å; E307-R310 PolarHBondContact OE1-NE 2.93Å; E307-R310 IonicContact OE1-NH2 3.97Å; E307-R310 PolarHBondContact OE1-NH2 3.19Å; E307-R310 IonicContact OE2-CZ 3.93Å; E307-R310 IonicContact OE2-NE 2.69Å; E307-R310 PolarHBondContact OE2-NE 3.18Å; E307-R310 IonicContact OE2-NH2 3.63Å; R310-G312 VanDerWaalsContact C-N 3.33Å; R310-H313 PolarHBondContact O-N 3.21Å; R310-Y314 WeakPolarHBondContact O-CB 3.48Å; R310-Y314 PolarHBondContact O-N 2.98Å; R310-F333 HydrophobicContact CG-CE2 4.12Å; R310-F333 HydrophobicContact CG-CZ 4.42Å; R310-H334 PolarHBondContact NH1-O 3.28Å; R310-H334 PolarHBondContact NH2-O 3.14Å
311A98.6Very high96.7Very high0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-63.7-39.3175.400000112.1M65 G294 F297 A298 E307 I309 Y314 A315 F333M65-A311 HydrophobicContact CE-CB 4.17Å; G294-A311 WeakPolarHBondContact O-CB 3.46Å; F297-A311 HydrophobicContact CD1-CB 3.99Å; F297-A311 HydrophobicContact CE1-CB 4.4Å; A298-A311 HydrophobicContact CB-CB 4.07Å; E307-A311 WeakPolarHBondContact O-CB 3.32Å; E307-A311 PolarHBondContact O-N 3.06Å; I309-A311 PolarHBondContact O-N 2.66Å; A311-Y314 PolarHBondContact O-N 3.42Å; A311-A315 WeakPolarHBondContact O-CB 3.5Å; A311-A315 PolarHBondContact O-N 3.24Å; A311-F333 VanDerWaalsContact CA-CE2 3.47Å; A311-F333 VanDerWaalsContact CA-CZ 3.48Å; A311-F333 HydrophobicContact CB-CE1 3.98Å; A311-F333 HydrophobicContact CB-CE2 4.04Å; A311-F333 HydrophobicContact CB-CZ 3.55Å
312G98.4Very high96.3Very high0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-61.6-48.9173.500000112.7F291 C308 I309 R310 Y314 A315 A316F291-G312 WeakPolarHBondContact CA-O 3.48Å; F291-G312 WeakPolarHBondContact O-CA 3.48Å; C308-G312 PolarHBondContact O-N 2.74Å; I309-G312 WeakPolarHBondContact O-CA 3.32Å; I309-G312 PolarHBondContact O-N 3Å; I309-G312 VanDerWaalsContact O-N 3.14Å; R310-G312 VanDerWaalsContact C-N 3.33Å; G312-Y314 VanDerWaalsContact C-N 3.34Å; G312-Y314 PolarHBondContact O-N 3.37Å; G312-A315 PolarHBondContact O-N 3.1Å; G312-A316 WeakPolarHBondContact O-CB 3.28Å; G312-A316 PolarHBondContact O-N 2.76Å
313H98.2Very high95.5Very high16 Ų1637.8 Ų37.87%0.07418%0.179CC..Hα-helixtrans-60.4-43.7176-70.5166000112.1T260 P272 L274 F291 I309 R310 A316 N317T260-H313 PolarHBondContact OG1-NE2 3.3Å; P272-H313 PolarHBondContact O-CE1 3.38Å; P272-H313 PolarHBondContact O-ND1 3.48Å; L274-H313 HydrophobicContact CD1-CB 4.31Å; L274-H313 HydrophobicContact CG-CB 4.35Å; F291-H313 AromaticContact CD2-CD2 3.75Å; F291-H313 AromaticContact CE2-CD2 3.5Å; F291-H313 VanDerWaalsContact CE2-CD2 3.5Å; F291-H313 WeakPolarHBondContact CE2-CD2 3.36Å; F291-H313 AromaticContact CE2-NE2 3.83Å; I309-H313 PolarHBondContact O-N 3.12Å; R310-H313 PolarHBondContact O-N 3.21Å; H313-A316 PolarHBondContact O-N 3.05Å; H313-N317 WeakPolarHBondContact O-CB 3.43Å; H313-N317 PolarHBondContact O-N 2.93Å
314Y97.9Very high94.5Very high32 Ų3233.2 Ų33.213%0.12516%0.159CC..Hα-helixtrans-57.3-51.1174.7168.9-95.4000111.7W64 M65 R310 A311 G312 A316 N317 V318 P331 D332 F333W64-Y314 AromaticContact CH2-CE1 3.76Å; W64-Y314 HydrophobicContact CH2-CE1 3.76Å; W64-Y314 HydrophobicContact CZ3-CE1 4.22Å; M65-Y314 HydrophobicContact CE-CD1 3.6Å; M65-Y314 HydrophobicContact CE-CE1 4.03Å; M65-Y314 HydrophobicContact SD-CD1 4.25Å; R310-Y314 WeakPolarHBondContact O-CB 3.48Å; R310-Y314 PolarHBondContact O-N 2.98Å; A311-Y314 PolarHBondContact O-N 3.42Å; G312-Y314 VanDerWaalsContact C-N 3.34Å; G312-Y314 PolarHBondContact O-N 3.37Å; Y314-A316 PolarHBondContact O-N 2.69Å; Y314-N317 WeakPolarHBondContact O-CB 3.48Å; Y314-N317 PolarHBondContact O-N 2.83Å; Y314-V318 HydrophobicContact CD2-CG2 4.43Å; Y314-V318 HydrophobicContact CE1-CG2 4Å; Y314-V318 HydrophobicContact CE2-CG2 3.84Å; Y314-V318 WeakPolarHBondContact O-CG2 3.26Å; Y314-V318 PolarHBondContact O-N 3.36Å; Y314-P331 HydrophobicContact CE1-CB 4.12Å; Y314-D332 WeakPolarHBondContact CE2-O 3.43Å; Y314-D332 PolarHBondContact OH-N 2.89Å; Y314-F333 HydrophobicContact CD1-CB 3.82Å; Y314-F333 AromaticContact CD1-CD2 3.74Å; Y314-F333 HydrophobicContact CD1-CD2 3.74Å; Y314-F333 HydrophobicContact CD1-CG 4.09Å; Y314-F333 HydrophobicContact CD2-CB 4.43Å; Y314-F333 AromaticContact CD2-CD2 3.99Å; Y314-F333 HydrophobicContact CD2-CD2 3.99Å; Y314-F333 HydrophobicContact CE1-CB 3.77Å; Y314-F333 HydrophobicContact CE2-CB 4.38Å; Y314-F333 HydrophobicContact CG-CB 4.18Å; Y314-F333 AromaticContact CG-CD2 3.45Å; Y314-F333 HydrophobicContact CG-CD2 3.45Å; Y314-F333 VanDerWaalsContact CG-CD2 3.45Å; Y314-F333 HydrophobicContact CG-CE2 4.25Å; Y314-F333 HydrophobicContact CG-CG 4.22Å
315A97.8Very high93.9Very high0 Ų030.5 Ų30.50%014%0.139CC..Hα-helixtrans-60.9-47.8-179.200000111.1I61 M65 A290 A311 G312 N317 V318 I319I61-A315 HydrophobicContact CG2-CB 3.91Å; M65-A315 HydrophobicContact SD-CB 3.91Å; A290-A315 HydrophobicContact CB-CB 4.39Å; A290-A315 VanDerWaalsContact O-CB 3.22Å; A290-A315 WeakPolarHBondContact O-CB 3.48Å; A311-A315 WeakPolarHBondContact O-CB 3.5Å; A311-A315 PolarHBondContact O-N 3.24Å; G312-A315 PolarHBondContact O-N 3.1Å; A315-N317 VanDerWaalsContact C-N 3.33Å; A315-N317 PolarHBondContact O-N 3.19Å; A315-V318 PolarHBondContact O-N 3.16Å; A315-I319 VanDerWaalsContact O-CG1 3.32Å; A315-I319 WeakPolarHBondContact O-CG1 3.41Å; A315-I319 PolarHBondContact O-N 2.66Å
316A96.3Very high93.4Very high16 Ų1630 Ų3013%0.13214%0.138CC..Hα-helixtrans-57.4-46175.800000111.9A290 F291 G312 H313 Y314 V318 I319 I320A290-A316 HydrophobicContact CB-CB 4.47Å; F291-A316 HydrophobicContact CB-CB 4.34Å; G312-A316 WeakPolarHBondContact O-CB 3.28Å; G312-A316 PolarHBondContact O-N 2.76Å; H313-A316 PolarHBondContact O-N 3.05Å; Y314-A316 PolarHBondContact O-N 2.69Å; A316-V318 VanDerWaalsContact C-N 3.3Å; A316-V318 PolarHBondContact O-N 2.97Å; A316-I319 PolarHBondContact O-N 3.34Å; A316-I320 WeakPolarHBondContact O-CG1 3.29Å; A316-I320 WeakPolarHBondContact O-CG2 3.19Å; A316-I320 PolarHBondContact O-N 3.23Å
317N95.1Very high93.2Very high19 Ų1927.8 Ų27.810%0.10213%0.127CC..Hα-helixtrans-59.9-34.4177.7178.9-87.8000113.2L274 I276 H313 Y314 A315 R321L274-N317 HydrophobicContact CD1-CB 4.31Å; I276-N317 HydrophobicContact CD1-CB 4.26Å; I276-N317 WeakPolarHBondContact CD1-ND2 3.23Å; I276-N317 WeakPolarHBondContact CG1-ND2 3.48Å; H313-N317 WeakPolarHBondContact O-CB 3.43Å; H313-N317 PolarHBondContact O-N 2.93Å; Y314-N317 WeakPolarHBondContact O-CB 3.48Å; Y314-N317 PolarHBondContact O-N 2.83Å; A315-N317 VanDerWaalsContact C-N 3.33Å; A315-N317 PolarHBondContact O-N 3.19Å; N317-R321 PolarHBondContact ND2-NH2 3.17Å; N317-R321 WeakPolarHBondContact O-CG 3.47Å; N317-R321 PolarHBondContact O-NH1 3.39Å; N317-R321 VanDerWaalsContact O-NH1 3.16Å; N317-R321 PolarHBondContact OD1-NH1 3.01Å; N317-R321 PolarHBondContact OD1-NH2 3.01Å
318V95.3Very high93Very high18 Ų1827.7 Ų27.711%0.10913%0.131CC..Hα-helixtrans-72.5-45.8173.2171.20000111.5W64 Y314 A315 A316 P328W64-V318 HydrophobicContact CH2-CB 4.27Å; W64-V318 HydrophobicContact CH2-CG1 3.94Å; W64-V318 HydrophobicContact CH2-CG2 4.3Å; W64-V318 HydrophobicContact CZ2-CG1 4.39Å; Y314-V318 HydrophobicContact CD2-CG2 4.43Å; Y314-V318 HydrophobicContact CE1-CG2 4Å; Y314-V318 HydrophobicContact CE2-CG2 3.84Å; Y314-V318 WeakPolarHBondContact O-CG2 3.26Å; Y314-V318 PolarHBondContact O-N 3.36Å; A315-V318 PolarHBondContact O-N 3.16Å; A316-V318 VanDerWaalsContact C-N 3.3Å; A316-V318 PolarHBondContact O-N 2.97Å; V318-P328 HydrophobicContact CG1-CG 4.29Å
319I93.3Very high92.7Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-66.4-41.9-174.5-65.4-49.4000111.3I61 A290 A315 A316 R321 R322 T326 F327I61-I319 HydrophobicContact CD1-CG1 4.46Å; A290-I319 HydrophobicContact CB-CB 3.87Å; A290-I319 HydrophobicContact CB-CG1 3.42Å; A290-I319 VanDerWaalsContact CB-CG1 3.42Å; A290-I319 HydrophobicContact CB-CG2 4.36Å; A315-I319 VanDerWaalsContact O-CG1 3.32Å; A315-I319 WeakPolarHBondContact O-CG1 3.41Å; A315-I319 PolarHBondContact O-N 2.66Å; A316-I319 PolarHBondContact O-N 3.34Å; I319-R321 PolarHBondContact O-N 2.95Å; I319-R321 VanDerWaalsContact O-N 3.08Å; I319-R322 PolarHBondContact O-N 3.32Å; I319-T326 WeakPolarHBondContact CD1-O 3.49Å; I319-F327 HydrophobicContact CD1-CB 3.89Å; I319-F327 HydrophobicContact CD1-CD1 3.98Å; I319-F327 HydrophobicContact CD1-CG 4.46Å
320I90.3Very high92.6Very high17 Ų1741.9 Ų41.99%0.08720%0.195CC..THydrogen-bonded Turntrans-69-12.6-17465.1-179000114.9I276 I281 V282 D283 A287 A316 R322I276-I320 HydrophobicContact CD1-CD1 3.55Å; I281-I320 HydrophobicContact CD1-CD1 4.38Å; I281-I320 HydrophobicContact CG1-CD1 4.21Å; I281-I320 HydrophobicContact CG2-CB 4.44Å; V282-I320 PolarHBondContact N-O 2.91Å; D283-I320 PolarHBondContact N-O 3.15Å; D283-I320 WeakPolarHBondContact O-CA 3.35Å; D283-I320 WeakPolarHBondContact O-CB 3.11Å; A287-I320 HydrophobicContact CB-CG2 3.51Å; A316-I320 WeakPolarHBondContact O-CG1 3.29Å; A316-I320 WeakPolarHBondContact O-CG2 3.19Å; A316-I320 PolarHBondContact O-N 3.23Å; I320-R322 PolarHBondContact O-N 3.39Å
321R90.8Very high92.5Very high91 Ų9139.2 Ų39.234%0.34319%0.189SC..THydrogen-bonded Turntrans-87.110.4174.2-58.3-165.6-179.1103.8-8.3113.1D280 V282 N317 I319D280-R321 HydrophobicContact CB-CG 4.32Å; D280-R321 WeakPolarHBondContact O-CA 3.23Å; D280-R321 WeakPolarHBondContact O-CG 3.26Å; D280-R321 IonicContact OD2-NE 2.64Å; V282-R321 WeakPolarHBondContact CG2-O 3.24Å; N317-R321 PolarHBondContact ND2-NH2 3.17Å; N317-R321 WeakPolarHBondContact O-CG 3.47Å; N317-R321 PolarHBondContact O-NH1 3.39Å; N317-R321 VanDerWaalsContact O-NH1 3.16Å; N317-R321 PolarHBondContact OD1-NH1 3.01Å; N317-R321 PolarHBondContact OD1-NH2 3.01Å; I319-R321 PolarHBondContact O-N 2.95Å; I319-R321 VanDerWaalsContact O-N 3.08Å
322R88.5Confident92.3Very high104 Ų10444.7 Ų44.739%0.39222%0.218SC..SBendtrans-140153-172.7-55.3-178.464.383.21.5109.5D283 I319 I320 G324 T326D283-R322 VanDerWaalsContact CB-O 3.29Å; D283-R322 WeakPolarHBondContact CB-O 3.38Å; I319-R322 PolarHBondContact O-N 3.32Å; I320-R322 PolarHBondContact O-N 3.39Å; R322-G324 PolarHBondContact O-N 2.9Å; R322-T326 WeakPolarHBondContact CB-OG1 3.46Å; R322-T326 VanDerWaalsContact CD-O 3.27Å; R322-T326 WeakPolarHBondContact CD-O 3.24Å; R322-T326 PolarHBondContact NE-OG1 3.46Å
323V81.3Confident92.2Very high52 Ų5246.3 Ų46.332%0.31523%0.225SC..SBendtrans-69.7125175.4177.70000109.4I116 V282 T326I116-V323 HydrophobicContact CD1-CG1 3.75Å; V282-V323 HydrophobicContact CG1-CG2 3.84Å; V323-T326 WeakPolarHBondContact O-CG2 3.36Å; V323-T326 PolarHBondContact O-OG1 3.09Å; V323-T326 VanDerWaalsContact O-OG1 3.13Å
324G77.7Confident91.6Very high2 Ų254.8 Ų54.82%0.02126%0.264CS..SBendtrans60.9-170.5-177.200000114.6D283 R322 T326D283-G324 WeakPolarHBondContact OD2-CA 3.34Å; D283-G324 PolarHBondContact OD2-N 2.74Å; R322-G324 PolarHBondContact O-N 2.9Å; G324-T326 PolarHBondContact O-N 3.4Å
325C84.1Confident91.3Very high2 Ų256 Ų561%0.01427%0.271CS..SBendtrans-80.168.4-177.4-161.50000111.1N57 K60 I61N57-C325 HydrophobicContact CB-CB 4.38Å; K60-C325 WeakPolarHBondContact CE-O 3.45Å; K60-C325 PolarHBondContact NZ-O 2.86Å; I61-C325 WeakPolarHBondContact CD1-SG 3.34Å
326T87.6Confident91Very high23 Ų2358.9 Ų58.914%0.14129%0.286CS..  trans-124.1150.8-17669.40000111.6H50 I319 R322 V323 G324H50-T326 VanDerWaalsContact CE1-CG2 3.43Å; H50-T326 WeakPolarHBondContact CE1-CG2 3.27Å; H50-T326 WeakPolarHBondContact ND1-CG2 3.29Å; I319-T326 WeakPolarHBondContact CD1-O 3.49Å; R322-T326 WeakPolarHBondContact CB-OG1 3.46Å; R322-T326 VanDerWaalsContact CD-O 3.27Å; R322-T326 WeakPolarHBondContact CD-O 3.24Å; R322-T326 PolarHBondContact NE-OG1 3.46Å; V323-T326 WeakPolarHBondContact O-CG2 3.36Å; V323-T326 PolarHBondContact O-OG1 3.09Å; V323-T326 VanDerWaalsContact O-OG1 3.13Å; G324-T326 PolarHBondContact O-N 3.4Å
327F91.9Very high90.7Very high49 Ų4961.3 Ų61.322%0.21529%0.294CS..  trans-139158.6-173.139.4-99.4000111.5K60 I61 W64 I319K60-F327 HydrophobicContact CB-CZ 4.46Å; K60-F327 HydrophobicContact CD-CE1 4.14Å; K60-F327 HydrophobicContact CG-CE1 3.98Å; K60-F327 HydrophobicContact CG-CZ 4.37Å; I61-F327 HydrophobicContact CG1-CD1 4.1Å; I61-F327 HydrophobicContact CG1-CE1 4.07Å; W64-F327 HydrophobicContact CB-CD2 3.92Å; W64-F327 HydrophobicContact CB-CE1 4.27Å; W64-F327 HydrophobicContact CB-CE2 3.62Å; W64-F327 HydrophobicContact CB-CG 4.36Å; W64-F327 HydrophobicContact CB-CZ 3.81Å; W64-F327 AromaticContact CD1-CD2 3.27Å; W64-F327 AromaticContact CD1-CE2 3.64Å; W64-F327 HydrophobicContact CD2-CB 3.9Å; W64-F327 HydrophobicContact CD2-CD1 4.39Å; W64-F327 AromaticContact CD2-CD2 3.85Å; W64-F327 HydrophobicContact CD2-CD2 3.85Å; W64-F327 HydrophobicContact CD2-CE2 4.48Å; W64-F327 AromaticContact CD2-CG 3.79Å; W64-F327 HydrophobicContact CD2-CG 3.79Å; W64-F327 HydrophobicContact CE3-CB 4.24Å; W64-F327 HydrophobicContact CE3-CG 4.27Å; W64-F327 HydrophobicContact CG-CB 4.38Å; W64-F327 HydrophobicContact CG-CD1 4.38Å; W64-F327 AromaticContact CG-CD2 3.4Å; W64-F327 HydrophobicContact CG-CD2 3.4Å; W64-F327 AromaticContact CG-CE2 3.64Å; W64-F327 HydrophobicContact CG-CE2 3.64Å; W64-F327 AromaticContact CG-CG 3.8Å; W64-F327 HydrophobicContact CG-CG 3.8Å; W64-F327 HydrophobicContact CG-CZ 4.22Å; W64-F327 HydrophobicContact CH2-CB 4.28Å; W64-F327 HydrophobicContact CZ2-CB 3.92Å; W64-F327 HydrophobicContact CZ3-CB 4.42Å; W64-F327 AromaticContact NE1-CD2 3.62Å; I319-F327 HydrophobicContact CD1-CB 3.89Å; I319-F327 HydrophobicContact CD1-CD1 3.98Å; I319-F327 HydrophobicContact CD1-CG 4.46Å
328P93.9Very high90.4Very high50 Ų5063.8 Ų63.833%0.32531%0.305SS..  trans-66.8168.7171.330.8-36.1000111.5W64 V318 K330W64-P328 HydrophobicContact CZ2-CG 4.04Å; W64-P328 PolarHBondContact NE1-O 2.91Å; V318-P328 HydrophobicContact CG1-CG 4.29Å; P328-K330 VanDerWaalsContact C-N 3.25Å; P328-K330 PolarHBondContact O-N 3.03Å
329E92.9Very high90.1Very high166 Ų16666.6 Ų66.678%0.77632%0.318SS*.SBendtrans-55.7-39.5-178.3-171.4-174.5154.700113Q67Q67-E329 PolarHBondContact NE2-O 3.13Å
330K95.9Very high89.9Confident136 Ų13671.1 Ų71.159%0.59134%0.339SS*.SBendtrans-126.2141.1-178-61-173.6179.9174.60111.8P328P328-K330 VanDerWaalsContact C-N 3.25Å; P328-K330 PolarHBondContact O-N 3.03Å
331P96.1Very high89.9Confident31 Ų3174.9 Ų74.920%0.20136%0.357CS..  trans-70.5151.7164.834.9-38000110.1W64 Q67 Y314W64-P331 HydrophobicContact CH2-CB 3.95Å; W64-P331 VanDerWaalsContact CZ2-CA 3.48Å; W64-P331 HydrophobicContact CZ2-CB 3.69Å; W64-P331 HydrophobicContact CZ3-CB 4.5Å; Q67-P331 HydrophobicContact CG-CG 4.08Å; Q67-P331 VanDerWaalsContact NE2-CD 3.26Å; Y314-P331 HydrophobicContact CE1-CB 4.12Å
332D96.1Very high89.8Confident114 Ų11473.7 Ų73.761%0.6136%0.358SS*.  trans-117.255.5171.1-168.426.8000108.2Y314 H334Y314-D332 WeakPolarHBondContact CE2-O 3.43Å; Y314-D332 PolarHBondContact OH-N 2.89Å; D332-H334 IonicContact OD1-CD2 3.72Å; D332-H334 IonicContact OD1-CE1 3.07Å; D332-H334 IonicContact OD1-NE2 2.95Å; D332-H334 PolarHBondContact OD1-NE2 3.19Å; D332-H334 VanDerWaalsContact OD1-NE2 3.16Å
333F95Very high89.9Confident34 Ų3471.2 Ų71.215%0.14936%0.355CS..  trans-109.2121.7178.5-175.9-103.4000108.5M65 F297 R310 A311 Y314M65-F333 HydrophobicContact CE-CB 3.82Å; M65-F333 HydrophobicContact CE-CD1 3.84Å; M65-F333 HydrophobicContact CE-CD2 4.16Å; M65-F333 HydrophobicContact CE-CE1 4.44Å; M65-F333 HydrophobicContact CE-CG 3.67Å; F297-F333 AromaticContact CE1-CD1 3.81Å; F297-F333 HydrophobicContact CE1-CD1 3.81Å; F297-F333 AromaticContact CE1-CE1 3.81Å; F297-F333 HydrophobicContact CE1-CE1 3.81Å; F297-F333 HydrophobicContact CZ-CD1 4.31Å; R310-F333 HydrophobicContact CG-CE2 4.12Å; R310-F333 HydrophobicContact CG-CZ 4.42Å; A311-F333 VanDerWaalsContact CA-CE2 3.47Å; A311-F333 VanDerWaalsContact CA-CZ 3.48Å; A311-F333 HydrophobicContact CB-CE1 3.98Å; A311-F333 HydrophobicContact CB-CE2 4.04Å; A311-F333 HydrophobicContact CB-CZ 3.55Å; Y314-F333 HydrophobicContact CD1-CB 3.82Å; Y314-F333 AromaticContact CD1-CD2 3.74Å; Y314-F333 HydrophobicContact CD1-CD2 3.74Å; Y314-F333 HydrophobicContact CD1-CG 4.09Å; Y314-F333 HydrophobicContact CD2-CB 4.43Å; Y314-F333 AromaticContact CD2-CD2 3.99Å; Y314-F333 HydrophobicContact CD2-CD2 3.99Å; Y314-F333 HydrophobicContact CE1-CB 3.77Å; Y314-F333 HydrophobicContact CE2-CB 4.38Å; Y314-F333 HydrophobicContact CG-CB 4.18Å; Y314-F333 AromaticContact CG-CD2 3.45Å; Y314-F333 HydrophobicContact CG-CD2 3.45Å; Y314-F333 VanDerWaalsContact CG-CD2 3.45Å; Y314-F333 HydrophobicContact CG-CE2 4.25Å; Y314-F333 HydrophobicContact CG-CG 4.22Å
334H86.3Confident90.7Very high195 Ų19572.9 Ų72.990%0.90336%0.359SS*.  trans-128.40-175.4-64.7-39.9000111.4R310 D332R310-H334 PolarHBondContact NH1-O 3.28Å; R310-H334 PolarHBondContact NH2-O 3.14Å; D332-H334 IonicContact OD1-CD2 3.72Å; D332-H334 IonicContact OD1-CE1 3.07Å; D332-H334 IonicContact OD1-NE2 2.95Å; D332-H334 PolarHBondContact OD1-NE2 3.19Å; D332-H334 VanDerWaalsContact OD1-NE2 3.16Å

Retrieved 334 of 334 residues in 844.9 ms (Link to these results)

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