F4KII1_ARATH Loading...

UDP-Glycosyltransferase superfamily protein

AlphaFold DB , UniProt , Accession F4KII1, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 520 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
1M39.9Very low62.6Low233 Ų233140.4 Ų140.4100%1.14866%0.657SS**  090.70-96.2167.243.400105.7E3M1-E3 PolarHBondContact O-N 3.38Å
2E37.5Very low65.5Low194 Ų194128.7 Ų128.791%0.90760%0.602SS**PPolyproline II helixtrans-69.2117.7160.8-74.7172.4156.100105E4E2-E4 PolarHBondContact O-N 2.99Å; E2-E4 VanDerWaalsContact O-N 3.17Å
3E40.6Very low68Low183 Ų183118.8 Ų118.886%0.85556%0.556SS**PPolyproline II helixtrans-58.3117.5168.9-75.4177.2158.100106.6M1M1-E3 PolarHBondContact O-N 3.38Å
4E40.3Very low70.2Confident178 Ų178110.4 Ų110.483%0.83252%0.516SS*.PPolyproline II helixtrans-51.6129.9168.9-82.8-167.4148.200107.4E2 E6E2-E4 PolarHBondContact O-N 2.99Å; E2-E4 VanDerWaalsContact O-N 3.17Å; E4-E6 PolarHBondContact O-N 3.47Å
5P49Very low72.1Confident116 Ų116103 Ų10375%0.75348%0.482SS*.PPolyproline II helixtrans-56.7123.1178.922.9-31000107.7R7P5-R7 PolarHBondContact O-N 3.03Å
6E57.6Low73.7Confident196 Ų19696.6 Ų96.692%0.91645%0.452SS*.  trans-48.7107.7178.6-89.4-169.2143.700108.4E4 R8E4-E6 PolarHBondContact O-N 3.47Å; E6-R8 PolarHBondContact O-N 3.17Å; E6-R8 VanDerWaalsContact O-N 3.12Å
7R65.9Low75.1Confident234 Ų23491.1 Ų91.188%0.88343%0.426SS*.PPolyproline II helixtrans-57.5123.3176.8-85.1-175.1-179.2-175.31.1107.4P5 K9P5-R7 PolarHBondContact O-N 3.03Å; R7-K9 PolarHBondContact O-N 3.02Å
8R81.7Confident76Confident80 Ų8086.5 Ų86.530%0.30241%0.407SS..PPolyproline II helixtrans-47.2132.8174.1171.8-177.6158.6172-5.4109E6 F114 M120 D123E6-R8 PolarHBondContact O-N 3.17Å; E6-R8 VanDerWaalsContact O-N 3.12Å; R8-F114 PolarHBondContact NH1-O 3.07Å; R8-F114 PolarHBondContact NH2-O 3.18Å; R8-M120 HydrophobicContact CB-SD 3.73Å; R8-M120 HydrophobicContact CG-SD 3.6Å; R8-M120 WeakPolarHBondContact O-CE 3.3Å; R8-D123 IonicContact CZ-OD2 3.71Å; R8-D123 IonicContact NH2-OD2 3.08Å; R8-D123 PolarHBondContact NH2-OD2 3.43Å
9K88.1Confident76.8Confident106 Ų10683.7 Ų83.746%0.46140%0.396SS..PPolyproline II helixtrans-74144.4172.1-70.6-173.7-178.1-169.60110.1R7 Q38 H39 T41R7-K9 PolarHBondContact O-N 3.02Å; K9-Q38 PolarHBondContact NZ-O 3.27Å; K9-H39 VanDerWaalsContact CB-O 3.26Å; K9-H39 WeakPolarHBondContact CB-O 3.39Å; K9-H39 WeakPolarHBondContact CG-O 3.49Å; K9-T41 WeakPolarHBondContact CB-OG1 3.33Å
10A92.7Very high77.5Confident14 Ų1482.2 Ų82.212%0.11639%0.388CS..EExtended strand (participates in β ladder)trans-60148.3169.500000110Y40 T41 D123A10-Y40 HydrophobicContact CB-CD1 3.78Å; A10-Y40 HydrophobicContact CB-CE1 3.46Å; A10-Y40 VanDerWaalsContact CB-CE1 3.46Å; A10-Y40 HydrophobicContact CB-CE2 4.5Å; A10-Y40 HydrophobicContact CB-CG 4.43Å; A10-Y40 CarbonylContact O-C 3.41Å; A10-Y40 VanDerWaalsContact O-CA 3.23Å; A10-Y40 WeakPolarHBondContact O-CA 3.33Å; A10-Y40 VanDerWaalsContact O-CD1 3.28Å; A10-Y40 WeakPolarHBondContact O-CD1 3.38Å; A10-T41 PolarHBondContact O-N 2.98Å; A10-D123 VanDerWaalsContact CA-OD1 3.25Å; A10-D123 WeakPolarHBondContact CA-OD1 3.49Å
11I95.5Very high78Confident10 Ų1079.8 Ų79.85%0.05139%0.385CS..EExtended strand (participates in β ladder)trans-107.9127.7-173.7-58.7-178.6000109.8T41 I113 F114 D123 F124I11-T41 WeakPolarHBondContact CA-O 3.49Å; I11-I113 HydrophobicContact CD1-CG2 4.44Å; I11-I113 WeakPolarHBondContact CD1-O 3.49Å; I11-I113 HydrophobicContact CG2-CG2 3.81Å; I11-F114 HydrophobicContact CB-CD1 4.1Å; I11-F114 HydrophobicContact CB-CE1 3.71Å; I11-F114 HydrophobicContact CD1-CD1 4.04Å; I11-F114 HydrophobicContact CD1-CE1 4.49Å; I11-F114 HydrophobicContact CG2-CD1 4.2Å; I11-F114 HydrophobicContact CG2-CE1 3.64Å; I11-F114 HydrophobicContact CG2-CZ 4.06Å; I11-D123 PolarHBondContact N-OD1 3.43Å; I11-D123 WeakPolarHBondContact O-CA 2.91Å; I11-F124 PolarHBondContact O-N 3.18Å
12A97.3Very high80.5Confident0 Ų069.7 Ų69.70%034%0.336CS..EExtended strand (participates in β ladder)trans-110102.3169.200000108.3F14 F33 Y40 T41 V42 V43 F124A12-F14 HydrophobicContact CB-CE2 4.17Å; A12-F33 HydrophobicContact CB-CD1 4.2Å; A12-F33 HydrophobicContact CB-CE1 3.63Å; A12-F33 HydrophobicContact CB-CZ 4.34Å; A12-Y40 HydrophobicContact CB-CD1 3.77Å; A12-Y40 HydrophobicContact CB-CE1 4.35Å; A12-Y40 HydrophobicContact CB-CG 4.44Å; A12-T41 PolarHBondContact N-O 3.26Å; A12-V42 HydrophobicContact CB-CG2 4.33Å; A12-V42 WeakPolarHBondContact O-CA 3.32Å; A12-V43 PolarHBondContact O-N 3.28Å; A12-F124 HydrophobicContact CB-CD1 4.32Å; A12-F124 HydrophobicContact CB-CE1 3.58Å; A12-F124 HydrophobicContact CB-CE2 4.09Å; A12-F124 HydrophobicContact CB-CZ 3.44Å; A12-F124 VanDerWaalsContact CB-CZ 3.44Å
13L98.3Very high83.3Confident0 Ų060.4 Ų60.40%029%0.293CS..EExtended strand (participates in β ladder)trans-90.8122.8175.8177.459000109.7M15 V43 M45 F110 I113 F114 F124 V125 V126L13-M15 HydrophobicContact CG-CB 4.47Å; L13-V43 CarbonylContact C-O 3.11Å; L13-V43 HydrophobicContact CD1-CB 3.96Å; L13-V43 HydrophobicContact CD1-CG1 4.03Å; L13-M45 HydrophobicContact CD1-CB 3.96Å; L13-M45 HydrophobicContact CD1-CE 4.23Å; L13-M45 HydrophobicContact CD2-CE 4.01Å; L13-F110 HydrophobicContact CD2-CD2 4.07Å; L13-F110 HydrophobicContact CD2-CE1 4.16Å; L13-F110 HydrophobicContact CD2-CE2 3.55Å; L13-F110 HydrophobicContact CD2-CZ 3.62Å; L13-I113 HydrophobicContact CD1-CD1 3.88Å; L13-I113 HydrophobicContact CD2-CD1 4.4Å; L13-F114 HydrophobicContact CB-CE2 4.22Å; L13-F114 HydrophobicContact CB-CZ 3.84Å; L13-F114 HydrophobicContact CD2-CE2 3.72Å; L13-F114 HydrophobicContact CD2-CZ 4.19Å; L13-F124 PolarHBondContact N-O 3.32Å; L13-V125 HydrophobicContact CB-CB 4.23Å; L13-V125 HydrophobicContact CB-CG2 4.07Å; L13-V125 HydrophobicContact CD2-CB 4.5Å; L13-V125 HydrophobicContact CD2-CG2 3.93Å; L13-V125 HydrophobicContact CG-CG2 3.88Å; L13-V125 CarbonylContact O-C 3.5Å; L13-V125 WeakPolarHBondContact O-CA 3.46Å; L13-V125 WeakPolarHBondContact O-CG2 3.41Å; L13-V126 PolarHBondContact O-N 2.91Å
14F98.6Very high85.9Confident1 Ų152 Ų520%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-100.7113.2167.1-70.3-102.7000107.3A12 I29 A30 F33 V42 V43 L44 M45 V126 L506A12-F14 HydrophobicContact CB-CE2 4.17Å; F14-I29 HydrophobicContact CE1-CB 4.25Å; F14-I29 HydrophobicContact CE1-CG2 3.67Å; F14-I29 HydrophobicContact CZ-CG2 4.16Å; F14-A30 HydrophobicContact CB-CB 4.14Å; F14-A30 HydrophobicContact CD1-CB 3.98Å; F14-A30 HydrophobicContact CD2-CB 3.56Å; F14-A30 HydrophobicContact CE1-CB 4.28Å; F14-A30 HydrophobicContact CE2-CB 3.89Å; F14-A30 HydrophobicContact CG-CB 3.62Å; F14-A30 HydrophobicContact CZ-CB 4.23Å; F14-F33 HydrophobicContact CE2-CD1 4.29Å; F14-F33 HydrophobicContact CE2-CG 4.45Å; F14-F33 HydrophobicContact CZ-CB 4.19Å; F14-F33 HydrophobicContact CZ-CG 4.23Å; F14-V42 HydrophobicContact CD2-CG1 3.87Å; F14-V42 HydrophobicContact CE2-CG1 3.84Å; F14-V43 PolarHBondContact N-O 2.75Å; F14-L44 HydrophobicContact CB-CD1 3.68Å; F14-L44 CarbonylContact O-C 3.53Å; F14-L44 VanDerWaalsContact O-CA 3.29Å; F14-L44 WeakPolarHBondContact O-CA 3.42Å; F14-L44 WeakPolarHBondContact O-CD1 3.36Å; F14-M45 PolarHBondContact O-N 3.44Å; F14-V126 CarbonylContact C-O 3.5Å; F14-V126 HydrophobicContact CD1-CB 3.76Å; F14-V126 HydrophobicContact CD1-CG1 4.16Å; F14-V126 HydrophobicContact CD1-CG2 3.95Å; F14-V126 HydrophobicContact CE1-CB 4Å; F14-V126 HydrophobicContact CE1-CG1 4.28Å; F14-V126 HydrophobicContact CE1-CG2 3.71Å; F14-V126 HydrophobicContact CG-CB 4.32Å; F14-V126 HydrophobicContact CG-CG2 4.49Å; F14-V126 HydrophobicContact CZ-CG2 4.05Å; F14-L506 HydrophobicContact CE1-CD1 4.22Å; F14-L506 HydrophobicContact CZ-CD1 4.13Å
15M98.5Very high88.6Confident0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-112.9110.6-178.5-176.7-173.8176.500108.3L13 F17 M45 C106 F110 V125 V126 I127 N128 A131 E133 G134L13-M15 HydrophobicContact CG-CB 4.47Å; M15-F17 HydrophobicContact CE-CD2 4.34Å; M15-F17 HydrophobicContact CE-CE2 3.35Å; M15-F17 HydrophobicContact CE-CZ 3.94Å; M15-F17 HydrophobicContact CG-CE2 4.14Å; M15-F17 HydrophobicContact CG-CZ 4.32Å; M15-M45 HydrophobicContact CE-SD 4.28Å; M15-M45 HydrophobicContact CG-CB 4.44Å; M15-M45 HydrophobicContact CG-SD 4.03Å; M15-M45 HydrophobicContact SD-SD 4.35Å; M15-C106 HydrophobicContact CE-CB 3.98Å; M15-F110 HydrophobicContact CE-CE2 4.41Å; M15-F110 HydrophobicContact SD-CE2 3.62Å; M15-F110 HydrophobicContact SD-CZ 4Å; M15-V125 HydrophobicContact CB-CG2 3.98Å; M15-V126 PolarHBondContact N-O 3.11Å; M15-I127 HydrophobicContact CB-CG2 4.28Å; M15-I127 VanDerWaalsContact O-CA 3.32Å; M15-I127 WeakPolarHBondContact O-CA 3.09Å; M15-I127 HydrophobicContact SD-CG2 4.4Å; M15-N128 PolarHBondContact O-N 3.33Å; M15-A131 HydrophobicContact CE-CB 4.36Å; M15-A131 HydrophobicContact CG-CB 3.93Å; M15-A131 WeakPolarHBondContact O-CB 3.48Å; M15-A131 HydrophobicContact SD-CB 4.38Å; M15-E133 HydrophobicContact CE-CB 3.8Å; M15-G134 VanDerWaalsContact SD-CA 3.57Å
16A98Very high90.9Very high0 Ų038.6 Ų38.60%018%0.182CC..  trans-135.6126.5-173.500000110.2V23 L26 M45 S46A16-V23 HydrophobicContact CB-CB 4.44Å; A16-V23 HydrophobicContact CB-CG1 4.35Å; A16-V23 HydrophobicContact CB-CG2 4.25Å; A16-L26 HydrophobicContact CB-CB 4.11Å; A16-L26 HydrophobicContact CB-CD2 3.7Å; A16-L26 HydrophobicContact CB-CG 4.49Å; A16-M45 PolarHBondContact N-O 3.37Å; A16-S46 WeakPolarHBondContact O-CA 3.46Å; A16-S46 WeakPolarHBondContact O-CB 3.48Å; A16-S46 PolarHBondContact O-OG 3.49Å
17F96.5Very high92.8Very high4 Ų429.3 Ų29.32%0.01814%0.138CC..  trans-121.6169175.2-64.5-49.6000111.4M15 D22 M45 H47 I67 H102 N128 F130 A131M15-F17 HydrophobicContact CE-CD2 4.34Å; M15-F17 HydrophobicContact CE-CE2 3.35Å; M15-F17 HydrophobicContact CE-CZ 3.94Å; M15-F17 HydrophobicContact CG-CE2 4.14Å; M15-F17 HydrophobicContact CG-CZ 4.32Å; F17-D22 WeakPolarHBondContact O-CB 3.47Å; F17-M45 HydrophobicContact CZ-CG 4.38Å; F17-M45 HydrophobicContact CZ-SD 4.38Å; F17-H47 WeakPolarHBondContact CA-NE2 3.35Å; F17-H47 WeakPolarHBondContact CB-NE2 3.18Å; F17-H47 AromaticContact CD1-CD2 3.89Å; F17-H47 AromaticContact CD1-CE1 3.65Å; F17-H47 AromaticContact CD1-ND1 3.99Å; F17-H47 AromaticContact CD1-NE2 3.58Å; F17-H47 AromaticContact CG-NE2 3.83Å; F17-I67 HydrophobicContact CE1-CB 4.03Å; F17-I67 HydrophobicContact CE1-CG1 3.96Å; F17-I67 HydrophobicContact CE1-CG2 4.31Å; F17-I67 HydrophobicContact CZ-CB 4.38Å; F17-I67 HydrophobicContact CZ-CG1 3.98Å; F17-I67 HydrophobicContact CZ-CG2 4.41Å; F17-H102 AromaticContact CD1-CE1 3.94Å; F17-H102 AromaticContact CD2-CE1 3.53Å; F17-H102 AromaticContact CD2-NE2 3.41Å; F17-H102 WeakPolarHBondContact CD2-NE2 3.41Å; F17-H102 AromaticContact CE1-CE1 3.67Å; F17-H102 AromaticContact CE2-CE1 3.2Å; F17-H102 WeakPolarHBondContact CE2-CE1 3.38Å; F17-H102 AromaticContact CE2-NE2 3.2Å; F17-H102 WeakPolarHBondContact CE2-NE2 3.49Å; F17-H102 AromaticContact CG-CE1 3.91Å; F17-H102 AromaticContact CZ-CE1 3.32Å; F17-H102 WeakPolarHBondContact CZ-CE1 3.33Å; F17-H102 AromaticContact CZ-NE2 3.82Å; F17-N128 PolarHBondContact N-OD1 3.28Å; F17-N128 PolarHBondContact O-ND2 3.21Å; F17-F130 HydrophobicContact CB-CB 4.11Å; F17-F130 WeakPolarHBondContact O-CB 3Å; F17-A131 HydrophobicContact CD2-CB 3.62Å; F17-A131 HydrophobicContact CE2-CB 4.15Å; F17-A131 HydrophobicContact CG-CB 4.37Å
18G92.5Very high94.3Very high8 Ų818.2 Ų18.28%0.08210%0.097CC..SBendtrans104.3-162.1-173.500000112.8H47 H50 P71G18-H47 PolarHBondContact N-NE2 3.29Å; G18-H47 PolarHBondContact O-CD2 3.06Å; G18-H50 PolarHBondContact O-NE2 2.93Å; G18-P71 WeakPolarHBondContact O-CB 3.38Å
19T90.5Very high95.1Very high33 Ų3314.5 Ų14.520%0.2028%0.083CC..SBendtrans-76.7178.8-17670.60000111.9G21 D22 V23T19-G21 PolarHBondContact O-N 3.36Å; T19-D22 WeakPolarHBondContact CA-OD2 3.16Å; T19-D22 WeakPolarHBondContact CB-OD2 3.27Å; T19-D22 PolarHBondContact N-OD2 3.45Å; T19-D22 WeakPolarHBondContact O-CB 3.26Å; T19-D22 PolarHBondContact O-N 3.33Å; T19-D22 PolarHBondContact OG1-OD2 2.94Å; T19-V23 PolarHBondContact O-N 3.41Å
20K90.4Very high95.5Very high53 Ų539.5 Ų9.523%0.236%0.061CC..Hα-helixtrans-53.1-38.1177.9173.2156.1-178.9158.70112.7D22 Y24 M389K20-D22 PolarHBondContact O-N 2.89Å; K20-Y24 HydrophobicContact CB-CD2 4.17Å; K20-Y24 HydrophobicContact CB-CE2 4.19Å; K20-Y24 HydrophobicContact CD-CD1 4.15Å; K20-Y24 HydrophobicContact CD-CD2 4.26Å; K20-Y24 HydrophobicContact CD-CE1 3.85Å; K20-Y24 HydrophobicContact CD-CE2 3.96Å; K20-Y24 HydrophobicContact CD-CG 4.34Å; K20-Y24 VanDerWaalsContact CE-CD1 3.44Å; K20-Y24 HydrophobicContact CG-CD1 4.08Å; K20-Y24 HydrophobicContact CG-CD2 3.61Å; K20-Y24 HydrophobicContact CG-CE1 4.2Å; K20-Y24 HydrophobicContact CG-CE2 3.74Å; K20-Y24 HydrophobicContact CG-CG 3.78Å; K20-Y24 WeakPolarHBondContact O-CB 3.35Å; K20-Y24 WeakPolarHBondContact O-CD2 3.24Å; K20-Y24 PolarHBondContact O-N 3.44Å; K20-M389 HydrophobicContact CD-CE 3.92Å; K20-M389 HydrophobicContact CD-SD 4.23Å; K20-M389 VanDerWaalsContact CE-CE 3.42Å; K20-M389 PolarHBondContact NZ-SD 3.35Å
21G89.2Confident95.8Very high32 Ų329 Ų933%0.336%0.057SC..Hα-helixtrans-66.3-24178.500000114.1T19 P25 P150T19-G21 PolarHBondContact O-N 3.36Å; G21-P25 VanDerWaalsContact O-CD 3.32Å; G21-P25 WeakPolarHBondContact O-CD 3.37Å; G21-P25 WeakPolarHBondContact O-CG 3.44Å; G21-P150 WeakPolarHBondContact O-CG 3.47Å
22D92.4Very high95.9Very high21 Ų2110.5 Ų10.511%0.1127%0.067CC..Hα-helixtrans-91.3-30.1-176.7-50.3-58.3000112F17 T19 K20 N128 F130 Y151F17-D22 WeakPolarHBondContact O-CB 3.47Å; T19-D22 WeakPolarHBondContact CA-OD2 3.16Å; T19-D22 WeakPolarHBondContact CB-OD2 3.27Å; T19-D22 PolarHBondContact N-OD2 3.45Å; T19-D22 WeakPolarHBondContact O-CB 3.26Å; T19-D22 PolarHBondContact O-N 3.33Å; T19-D22 PolarHBondContact OG1-OD2 2.94Å; K20-D22 PolarHBondContact O-N 2.89Å; D22-N128 PolarHBondContact O-ND2 2.96Å; D22-F130 HydrophobicContact CB-CD2 4.02Å; D22-F130 HydrophobicContact CB-CE2 4.16Å; D22-F130 WeakPolarHBondContact OD1-CE2 3.35Å; D22-Y151 HydrophobicContact CB-CE1 4.22Å; D22-Y151 WeakPolarHBondContact OD1-CE1 3.48Å
23V95.7Very high95.9Very high0 Ų010.5 Ų10.50%07%0.067CC..Hα-helixtrans-98.6-47.5-171.6175.80000112.5A16 T19 L26 A27 S46 L53A16-V23 HydrophobicContact CB-CB 4.44Å; A16-V23 HydrophobicContact CB-CG1 4.35Å; A16-V23 HydrophobicContact CB-CG2 4.25Å; T19-V23 PolarHBondContact O-N 3.41Å; V23-L26 PolarHBondContact O-N 3.23Å; V23-L26 VanDerWaalsContact O-N 3.17Å; V23-A27 PolarHBondContact O-N 3.38Å; V23-S46 VanDerWaalsContact CG1-OG 3.31Å; V23-S46 WeakPolarHBondContact CG1-OG 3.42Å; V23-S46 WeakPolarHBondContact CG2-OG 3.32Å; V23-L53 HydrophobicContact CG1-CD1 4.14Å
24Y95.4Very high95.8Very high6 Ų611 Ų112%0.0247%0.071CC..Hα-helixtrans-63.7-37.4-170.8-80.6-131.2000113.1K20 L26 A27 A28 H50 N52 L53 L262K20-Y24 HydrophobicContact CB-CD2 4.17Å; K20-Y24 HydrophobicContact CB-CE2 4.19Å; K20-Y24 HydrophobicContact CD-CD1 4.15Å; K20-Y24 HydrophobicContact CD-CD2 4.26Å; K20-Y24 HydrophobicContact CD-CE1 3.85Å; K20-Y24 HydrophobicContact CD-CE2 3.96Å; K20-Y24 HydrophobicContact CD-CG 4.34Å; K20-Y24 VanDerWaalsContact CE-CD1 3.44Å; K20-Y24 HydrophobicContact CG-CD1 4.08Å; K20-Y24 HydrophobicContact CG-CD2 3.61Å; K20-Y24 HydrophobicContact CG-CE1 4.2Å; K20-Y24 HydrophobicContact CG-CE2 3.74Å; K20-Y24 HydrophobicContact CG-CG 3.78Å; K20-Y24 WeakPolarHBondContact O-CB 3.35Å; K20-Y24 WeakPolarHBondContact O-CD2 3.24Å; K20-Y24 PolarHBondContact O-N 3.44Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-L26 PolarHBondContact O-N 3.49Å; Y24-A27 WeakPolarHBondContact O-CB 3.34Å; Y24-A27 PolarHBondContact O-N 3.02Å; Y24-A28 PolarHBondContact O-N 3.15Å; Y24-H50 HydrophobicContact CE2-CB 4.38Å; Y24-H50 AromaticContact CE2-ND1 3.86Å; Y24-N52 VanDerWaalsContact OH-CG 3.31Å; Y24-N52 PolarHBondContact OH-ND2 3.07Å; Y24-N52 PolarHBondContact OH-OD1 3.36Å; Y24-L53 HydrophobicContact CD1-CD2 3.67Å; Y24-L53 HydrophobicContact CD1-CG 4.46Å; Y24-L53 HydrophobicContact CD2-CD1 3.76Å; Y24-L53 HydrophobicContact CD2-CD2 4.24Å; Y24-L53 HydrophobicContact CD2-CG 4.24Å; Y24-L53 HydrophobicContact CE1-CD2 3.48Å; Y24-L53 VanDerWaalsContact CE1-CD2 3.48Å; Y24-L53 HydrophobicContact CE1-CG 4.05Å; Y24-L53 HydrophobicContact CE2-CD1 3.67Å; Y24-L53 HydrophobicContact CE2-CD2 4.09Å; Y24-L53 HydrophobicContact CE2-CG 3.82Å; Y24-L53 HydrophobicContact CG-CD1 4.27Å; Y24-L53 HydrophobicContact CG-CD2 4.06Å; Y24-L262 VanDerWaalsContact C-CD2 3.46Å; Y24-L262 HydrophobicContact CD1-CD1 3.91Å; Y24-L262 HydrophobicContact CG-CD1 4.3Å; Y24-L262 WeakPolarHBondContact O-CD2 3.5Å
25P96.2Very high95.7Very high13 Ų1317.7 Ų17.78%0.08410%0.096CC..Hα-helixtrans-59.9-41.2174.6-30.240.1000113.5G21 A27 A28 I29 P150 W260G21-P25 VanDerWaalsContact O-CD 3.32Å; G21-P25 WeakPolarHBondContact O-CD 3.37Å; G21-P25 WeakPolarHBondContact O-CG 3.44Å; P25-A27 VanDerWaalsContact C-N 3.34Å; P25-A28 WeakPolarHBondContact O-CB 3.4Å; P25-A28 PolarHBondContact O-N 3.48Å; P25-I29 PolarHBondContact O-N 3.12Å; P25-I29 VanDerWaalsContact O-N 3.14Å; P25-P150 HydrophobicContact CB-CB 3.63Å; P25-P150 HydrophobicContact CB-CG 4.02Å; P25-P150 HydrophobicContact CG-CB 3.73Å; P25-P150 HydrophobicContact CG-CG 4Å; P25-W260 HydrophobicContact CB-CB 3.87Å; P25-W260 HydrophobicContact CB-CE3 3.81Å
26L97.5Very high95.5Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-68.2-36.2175.4-87.968.5000111.3A16 V23 Y24 A28 I29 A30 N128 A148 P150 W260A16-L26 HydrophobicContact CB-CB 4.11Å; A16-L26 HydrophobicContact CB-CD2 3.7Å; A16-L26 HydrophobicContact CB-CG 4.49Å; V23-L26 PolarHBondContact O-N 3.23Å; V23-L26 VanDerWaalsContact O-N 3.17Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-L26 PolarHBondContact O-N 3.49Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 3.36Å; L26-I29 PolarHBondContact O-N 3.5Å; L26-A30 WeakPolarHBondContact O-CB 3.15Å; L26-A30 PolarHBondContact O-N 3.08Å; L26-N128 HydrophobicContact CD2-CB 3.87Å; L26-A148 HydrophobicContact CD1-CB 4.28Å; L26-A148 HydrophobicContact CD2-CB 4.25Å; L26-A148 HydrophobicContact CG-CB 4.2Å; L26-P150 HydrophobicContact CD1-CG 4.28Å; L26-W260 HydrophobicContact CD1-CE3 4.17Å; L26-W260 HydrophobicContact CD1-CZ3 3.64Å
27A97.8Very high95.3Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-61-38.8173.200000112.1V23 Y24 P25 A30 A31 L44 L53 L57 W266V23-A27 PolarHBondContact O-N 3.38Å; Y24-A27 WeakPolarHBondContact O-CB 3.34Å; Y24-A27 PolarHBondContact O-N 3.02Å; P25-A27 VanDerWaalsContact C-N 3.34Å; A27-A30 PolarHBondContact O-N 3.33Å; A27-A31 WeakPolarHBondContact O-CB 3.42Å; A27-A31 PolarHBondContact O-N 2.92Å; A27-L44 HydrophobicContact CB-CD1 4.44Å; A27-L44 HydrophobicContact CB-CD2 3.56Å; A27-L53 HydrophobicContact CB-CD1 3.95Å; A27-L53 HydrophobicContact CB-CD2 4.45Å; A27-L57 HydrophobicContact CB-CD2 4.29Å; A27-W266 HydrophobicContact CB-CH2 4.48Å; A27-W266 HydrophobicContact CB-CZ3 3.92Å
28A97Very high95Very high2 Ų228.1 Ų28.12%0.01715%0.149CC..Hα-helixtrans-65.2-43.2175.500000111.7Y24 P25 L26 A31 V32 L262 W266 V499Y24-A28 PolarHBondContact O-N 3.15Å; P25-A28 WeakPolarHBondContact O-CB 3.4Å; P25-A28 PolarHBondContact O-N 3.48Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 3.36Å; A28-A31 PolarHBondContact O-N 3.45Å; A28-V32 WeakPolarHBondContact O-CG2 3.31Å; A28-V32 PolarHBondContact O-N 3.37Å; A28-L262 HydrophobicContact CB-CD2 4.08Å; A28-W266 HydrophobicContact CB-CZ3 4.2Å; A28-V499 HydrophobicContact CB-CG2 4.48Å
29I98.1Very high95Very high2 Ų232.8 Ų32.81%0.0117%0.168CC..Hα-helixtrans-59.5-47.4172.6-63.7170.5000110.4F14 P25 L26 A31 V32 F33 W260 V499 A502 V503 L506F14-I29 HydrophobicContact CE1-CB 4.25Å; F14-I29 HydrophobicContact CE1-CG2 3.67Å; F14-I29 HydrophobicContact CZ-CG2 4.16Å; P25-I29 PolarHBondContact O-N 3.12Å; P25-I29 VanDerWaalsContact O-N 3.14Å; L26-I29 PolarHBondContact O-N 3.5Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 2.87Å; I29-V32 PolarHBondContact O-N 2.74Å; I29-F33 WeakPolarHBondContact O-CB 3.37Å; I29-F33 PolarHBondContact O-N 3.2Å; I29-W260 HydrophobicContact CD1-CD2 3.55Å; I29-W260 HydrophobicContact CD1-CE3 3.59Å; I29-W260 HydrophobicContact CD1-CG 4.2Å; I29-W260 HydrophobicContact CD1-CH2 3.96Å; I29-W260 HydrophobicContact CD1-CZ2 3.88Å; I29-W260 HydrophobicContact CD1-CZ3 3.81Å; I29-W260 HydrophobicContact CG1-CD2 4.44Å; I29-V499 HydrophobicContact CG1-CG1 4.19Å; I29-A502 HydrophobicContact CD1-CB 3.84Å; I29-A502 HydrophobicContact CG1-CB 4.2Å; I29-V503 HydrophobicContact CG2-CG2 3.89Å; I29-L506 HydrophobicContact CG2-CD1 3.85Å
30A98.2Very high95.2Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-57.9-42.9178.900000112F14 L26 A27 F33 A34 V42 V62F14-A30 HydrophobicContact CB-CB 4.14Å; F14-A30 HydrophobicContact CD1-CB 3.98Å; F14-A30 HydrophobicContact CD2-CB 3.56Å; F14-A30 HydrophobicContact CE1-CB 4.28Å; F14-A30 HydrophobicContact CE2-CB 3.89Å; F14-A30 HydrophobicContact CG-CB 3.62Å; F14-A30 HydrophobicContact CZ-CB 4.23Å; L26-A30 WeakPolarHBondContact O-CB 3.15Å; L26-A30 PolarHBondContact O-N 3.08Å; A27-A30 PolarHBondContact O-N 3.33Å; A30-F33 PolarHBondContact O-N 3.37Å; A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 2.93Å; A30-V42 HydrophobicContact CB-CG1 4.16Å; A30-V62 HydrophobicContact CB-CG1 4.46Å
31A97.7Very high95.4Very high5 Ų532.1 Ų32.14%0.04117%0.167CC..Hα-helixtrans-65.3-44.2178.300000112.8A27 A28 I29 R35 L57 A60 W266A27-A31 WeakPolarHBondContact O-CB 3.42Å; A27-A31 PolarHBondContact O-N 2.92Å; A28-A31 PolarHBondContact O-N 3.45Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 2.87Å; A31-R35 WeakPolarHBondContact O-CG 3.29Å; A31-R35 PolarHBondContact O-N 3.31Å; A31-L57 HydrophobicContact CB-CD2 4.45Å; A31-A60 HydrophobicContact CB-CB 3.69Å; A31-W266 HydrophobicContact CB-CH2 3.75Å; A31-W266 HydrophobicContact CB-CZ2 3.91Å
32V97.3Very high95.9Very high40 Ų4030.8 Ų30.824%0.24215%0.153CC..Hα-helixtrans-67.8-42.2176.11770000110.5A28 I29 A34 R35 V36 V499 V503A28-V32 WeakPolarHBondContact O-CG2 3.31Å; A28-V32 PolarHBondContact O-N 3.37Å; I29-V32 PolarHBondContact O-N 2.74Å; V32-A34 PolarHBondContact O-N 3.19Å; V32-R35 PolarHBondContact O-N 2.89Å; V32-V36 HydrophobicContact CG1-CG2 4.37Å; V32-V36 WeakPolarHBondContact O-CG2 3.31Å; V32-V36 PolarHBondContact O-N 3.48Å; V32-V36 VanDerWaalsContact O-N 3.09Å; V32-V499 HydrophobicContact CB-CG1 4.03Å; V32-V499 HydrophobicContact CG2-CG1 3.64Å; V32-V503 HydrophobicContact CB-CG2 3.99Å; V32-V503 HydrophobicContact CG1-CB 4.34Å; V32-V503 HydrophobicContact CG1-CG1 4.4Å; V32-V503 HydrophobicContact CG1-CG2 3.86Å
33F97.7Very high96.1Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-57.3-48.1176.2-175.3-89.3000111.4A12 F14 I29 A30 R35 V36 Q37 Y40 V42 F124 V503 L506A12-F33 HydrophobicContact CB-CD1 4.2Å; A12-F33 HydrophobicContact CB-CE1 3.63Å; A12-F33 HydrophobicContact CB-CZ 4.34Å; F14-F33 HydrophobicContact CE2-CD1 4.29Å; F14-F33 HydrophobicContact CE2-CG 4.45Å; F14-F33 HydrophobicContact CZ-CB 4.19Å; F14-F33 HydrophobicContact CZ-CG 4.23Å; I29-F33 WeakPolarHBondContact O-CB 3.37Å; I29-F33 PolarHBondContact O-N 3.2Å; A30-F33 PolarHBondContact O-N 3.37Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 3.45Å; F33-V36 PolarHBondContact O-N 2.92Å; F33-V36 VanDerWaalsContact O-N 3.13Å; F33-Q37 HydrophobicContact CD1-CB 4.24Å; F33-Q37 HydrophobicContact CD2-CG 4.17Å; F33-Q37 HydrophobicContact CE1-CB 3.84Å; F33-Q37 HydrophobicContact CE1-CG 4.13Å; F33-Q37 HydrophobicContact CE2-CB 4.39Å; F33-Q37 HydrophobicContact CE2-CG 3.76Å; F33-Q37 HydrophobicContact CZ-CB 3.92Å; F33-Q37 HydrophobicContact CZ-CG 3.72Å; F33-Q37 WeakPolarHBondContact O-CB 3.46Å; F33-Q37 PolarHBondContact O-N 3.04Å; F33-Y40 HydrophobicContact CE1-CD1 4.33Å; F33-Y40 HydrophobicContact CE1-CD2 4.2Å; F33-Y40 AromaticContact CE1-CG 3.94Å; F33-Y40 HydrophobicContact CE1-CG 3.94Å; F33-Y40 HydrophobicContact CZ-CD2 4.18Å; F33-Y40 HydrophobicContact CZ-CE2 4.37Å; F33-Y40 HydrophobicContact CZ-CG 4.29Å; F33-V42 HydrophobicContact CD1-CG2 3.87Å; F33-V42 HydrophobicContact CE1-CG2 4.23Å; F33-F124 HydrophobicContact CE1-CE1 4.39Å; F33-F124 HydrophobicContact CE1-CZ 4.04Å; F33-F124 HydrophobicContact CE2-CZ 4.01Å; F33-F124 AromaticContact CZ-CE1 3.87Å; F33-F124 HydrophobicContact CZ-CE1 3.87Å; F33-F124 AromaticContact CZ-CZ 3.58Å; F33-F124 HydrophobicContact CZ-CZ 3.58Å; F33-V503 HydrophobicContact CB-CG1 4.44Å; F33-V503 HydrophobicContact CB-CG2 4.15Å; F33-V503 HydrophobicContact CD2-CG1 4.23Å; F33-L506 HydrophobicContact CD2-CB 4.35Å; F33-L506 HydrophobicContact CD2-CD1 4.32Å; F33-L506 HydrophobicContact CE2-CB 4.23Å
34A96.9Very high96.3Very high10 Ų1030.3 Ų30.38%0.08315%0.15CC..Hα-helixtrans-60.7-37.3178.700000113.4A30 V32 V42 A60 V62A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 2.93Å; V32-A34 PolarHBondContact O-N 3.19Å; A34-V42 HydrophobicContact CB-CB 3.95Å; A34-V42 HydrophobicContact CB-CG1 4.36Å; A34-V42 HydrophobicContact CB-CG2 3.66Å; A34-A60 WeakPolarHBondContact CB-O 3.47Å; A34-V62 HydrophobicContact CB-CG2 3.51Å
35R95.7Very high96.4Very high142 Ų14230 Ų3054%0.53615%0.149SC..Hα-helixtrans-66.3-38.7175.7-71.3174.1178.8-177.71.8112A31 V32 F33 A60A31-R35 WeakPolarHBondContact O-CG 3.29Å; A31-R35 PolarHBondContact O-N 3.31Å; V32-R35 PolarHBondContact O-N 2.89Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 3.45Å; R35-A60 HydrophobicContact CG-CB 4.47Å
36V94.6Very high96.5Very high65 Ų6529.4 Ų29.439%0.39415%0.145SC..Hα-helixtrans-84.9-30.4-176.2176.50000112.6V32 F33 V503V32-V36 HydrophobicContact CG1-CG2 4.37Å; V32-V36 WeakPolarHBondContact O-CG2 3.31Å; V32-V36 PolarHBondContact O-N 3.48Å; V32-V36 VanDerWaalsContact O-N 3.09Å; F33-V36 PolarHBondContact O-N 2.92Å; F33-V36 VanDerWaalsContact O-N 3.13Å; V36-V503 HydrophobicContact CB-CG1 4.43Å
37Q93.8Very high96.5Very high21 Ų2129.8 Ų29.810%0.09815%0.147CC..  trans-118.266.2-175-61.8-64.5-76.800110.8F33 H39 Y40F33-Q37 HydrophobicContact CD1-CB 4.24Å; F33-Q37 HydrophobicContact CD2-CG 4.17Å; F33-Q37 HydrophobicContact CE1-CB 3.84Å; F33-Q37 HydrophobicContact CE1-CG 4.13Å; F33-Q37 HydrophobicContact CE2-CB 4.39Å; F33-Q37 HydrophobicContact CE2-CG 3.76Å; F33-Q37 HydrophobicContact CZ-CB 3.92Å; F33-Q37 HydrophobicContact CZ-CG 3.72Å; F33-Q37 WeakPolarHBondContact O-CB 3.46Å; F33-Q37 PolarHBondContact O-N 3.04Å; Q37-H39 PolarHBondContact O-N 2.84Å; Q37-H39 PolarHBondContact OE1-CE1 2.91Å; Q37-Y40 HydrophobicContact CB-CD2 3.98Å; Q37-Y40 WeakPolarHBondContact O-CB 3.36Å; Q37-Y40 PolarHBondContact O-N 3.18Å
38Q91.5Very high96.4Very high138 Ų13833.3 Ų33.365%0.64517%0.166SC*.THydrogen-bonded Turntrans-64.6-12.5-174.1-60-175-3.500115.3K9 Y40K9-Q38 PolarHBondContact NZ-O 3.27Å; Q38-Y40 VanDerWaalsContact C-N 3.3Å
39H90.8Very high96.2Very high105 Ų10536.4 Ų36.449%0.48619%0.191SC..THydrogen-bonded Turntrans-83.8-5.7174.463.3-87000113K9 Q37K9-H39 VanDerWaalsContact CB-O 3.26Å; K9-H39 WeakPolarHBondContact CB-O 3.39Å; K9-H39 WeakPolarHBondContact CG-O 3.49Å; Q37-H39 PolarHBondContact O-N 2.84Å; Q37-H39 PolarHBondContact OE1-CE1 2.91Å
40Y95Very high96Very high15 Ų1536.9 Ų36.96%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-94.4144.9170.9-84.8-95.3000111.6A10 A12 F33 Q37 Q38 G122 F124 C511A10-Y40 HydrophobicContact CB-CD1 3.78Å; A10-Y40 HydrophobicContact CB-CE1 3.46Å; A10-Y40 VanDerWaalsContact CB-CE1 3.46Å; A10-Y40 HydrophobicContact CB-CE2 4.5Å; A10-Y40 HydrophobicContact CB-CG 4.43Å; A10-Y40 CarbonylContact O-C 3.41Å; A10-Y40 VanDerWaalsContact O-CA 3.23Å; A10-Y40 WeakPolarHBondContact O-CA 3.33Å; A10-Y40 VanDerWaalsContact O-CD1 3.28Å; A10-Y40 WeakPolarHBondContact O-CD1 3.38Å; A12-Y40 HydrophobicContact CB-CD1 3.77Å; A12-Y40 HydrophobicContact CB-CE1 4.35Å; A12-Y40 HydrophobicContact CB-CG 4.44Å; F33-Y40 HydrophobicContact CE1-CD1 4.33Å; F33-Y40 HydrophobicContact CE1-CD2 4.2Å; F33-Y40 AromaticContact CE1-CG 3.94Å; F33-Y40 HydrophobicContact CE1-CG 3.94Å; F33-Y40 HydrophobicContact CZ-CD2 4.18Å; F33-Y40 HydrophobicContact CZ-CE2 4.37Å; F33-Y40 HydrophobicContact CZ-CG 4.29Å; Q37-Y40 HydrophobicContact CB-CD2 3.98Å; Q37-Y40 WeakPolarHBondContact O-CB 3.36Å; Q37-Y40 PolarHBondContact O-N 3.18Å; Q38-Y40 VanDerWaalsContact C-N 3.3Å; Y40-G122 VanDerWaalsContact CE1-O 3.24Å; Y40-G122 WeakPolarHBondContact CE1-O 3.28Å; Y40-G122 PolarHBondContact OH-O 3.49Å; Y40-F124 HydrophobicContact CD1-CE1 4.18Å; Y40-F124 AromaticContact CE1-CD1 3.93Å; Y40-F124 HydrophobicContact CE1-CD1 3.93Å; Y40-F124 AromaticContact CE1-CE1 3.57Å; Y40-F124 HydrophobicContact CE1-CE1 3.57Å; Y40-F124 AromaticContact CZ-CE1 3.95Å; Y40-C511 HydrophobicContact CE2-CB 4.34Å
41T95.7Very high95.8Very high58 Ų5841.8 Ų41.836%0.35622%0.216SC..EExtended strand (participates in β ladder)trans-87.4117.9157.8-64.30000107.5K9 A10 I11 A12 V43K9-T41 WeakPolarHBondContact CB-OG1 3.33Å; A10-T41 PolarHBondContact O-N 2.98Å; I11-T41 WeakPolarHBondContact CA-O 3.49Å; A12-T41 PolarHBondContact N-O 3.26Å; T41-V43 HydrophobicContact CG2-CG2 4.35Å
42V98Very high95.4Very high3 Ų345.6 Ų45.62%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-107.2129-176.2-171.20000109.8A12 F14 A30 F33 A34 V62 S63A12-V42 HydrophobicContact CB-CG2 4.33Å; A12-V42 WeakPolarHBondContact O-CA 3.32Å; F14-V42 HydrophobicContact CD2-CG1 3.87Å; F14-V42 HydrophobicContact CE2-CG1 3.84Å; A30-V42 HydrophobicContact CB-CG1 4.16Å; F33-V42 HydrophobicContact CD1-CG2 3.87Å; F33-V42 HydrophobicContact CE1-CG2 4.23Å; A34-V42 HydrophobicContact CB-CB 3.95Å; A34-V42 HydrophobicContact CB-CG1 4.36Å; A34-V42 HydrophobicContact CB-CG2 3.66Å; V42-V62 HydrophobicContact CB-CG2 4.12Å; V42-V62 HydrophobicContact CG1-CG1 4.11Å; V42-V62 HydrophobicContact CG1-CG2 3.95Å; V42-S63 PolarHBondContact O-N 2.81Å
43V98.3Very high95.1Very high11 Ų1143.7 Ų43.77%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-127.5134.1-179.4-174.40000108.8A12 L13 F14 T41 S63 F65 I113A12-V43 PolarHBondContact O-N 3.28Å; L13-V43 CarbonylContact C-O 3.11Å; L13-V43 HydrophobicContact CD1-CB 3.96Å; L13-V43 HydrophobicContact CD1-CG1 4.03Å; F14-V43 PolarHBondContact N-O 2.75Å; T41-V43 HydrophobicContact CG2-CG2 4.35Å; V43-S63 CarbonylContact C-O 3.54Å; V43-S63 WeakPolarHBondContact CA-O 3.24Å; V43-F65 HydrophobicContact CG1-CB 4.06Å; V43-I113 HydrophobicContact CG1-CD1 3.96Å; V43-I113 HydrophobicContact CG1-CG1 4.39Å; V43-I113 HydrophobicContact CG2-CG2 4.31Å
44L98.6Very high94.9Very high0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-103.2122.6165.8-177.274.4000109F14 A27 L53 L57 V62 S63 Y64 F65F14-L44 HydrophobicContact CB-CD1 3.68Å; F14-L44 CarbonylContact O-C 3.53Å; F14-L44 VanDerWaalsContact O-CA 3.29Å; F14-L44 WeakPolarHBondContact O-CA 3.42Å; F14-L44 WeakPolarHBondContact O-CD1 3.36Å; A27-L44 HydrophobicContact CB-CD1 4.44Å; A27-L44 HydrophobicContact CB-CD2 3.56Å; L44-L53 HydrophobicContact CD2-CD1 4.11Å; L44-L57 HydrophobicContact CB-CD1 4.05Å; L44-L57 HydrophobicContact CD2-CD1 3.5Å; L44-L57 VanDerWaalsContact CD2-CD1 3.5Å; L44-L57 HydrophobicContact CG-CD1 4.41Å; L44-V62 HydrophobicContact CB-CG1 4.17Å; L44-S63 PolarHBondContact N-O 2.97Å; L44-Y64 HydrophobicContact CB-CD2 4.31Å; L44-Y64 HydrophobicContact CD2-CD2 3.95Å; L44-Y64 HydrophobicContact CD2-CE2 3.88Å; L44-Y64 HydrophobicContact CG-CD2 4.31Å; L44-Y64 HydrophobicContact CG-CE2 4.33Å; L44-Y64 CarbonylContact O-C 3.51Å; L44-Y64 WeakPolarHBondContact O-CA 2.97Å; L44-F65 PolarHBondContact O-N 3.04Å
45M98.3Very high94.6Very high0 Ų047.8 Ų47.80%025%0.253CS..EExtended strand (participates in β ladder)trans-105.1124.1171.5-179.2-171.7-5500109.7L13 F14 M15 A16 F17 F65 I67 A109 F110 I113L13-M45 HydrophobicContact CD1-CB 3.96Å; L13-M45 HydrophobicContact CD1-CE 4.23Å; L13-M45 HydrophobicContact CD2-CE 4.01Å; F14-M45 PolarHBondContact O-N 3.44Å; M15-M45 HydrophobicContact CE-SD 4.28Å; M15-M45 HydrophobicContact CG-CB 4.44Å; M15-M45 HydrophobicContact CG-SD 4.03Å; M15-M45 HydrophobicContact SD-SD 4.35Å; A16-M45 PolarHBondContact N-O 3.37Å; F17-M45 HydrophobicContact CZ-CG 4.38Å; F17-M45 HydrophobicContact CZ-SD 4.38Å; M45-F65 WeakPolarHBondContact CA-O 3.26Å; M45-F65 HydrophobicContact CB-CB 4.33Å; M45-I67 HydrophobicContact CG-CD1 4.15Å; M45-I67 HydrophobicContact CG-CG1 3.72Å; M45-I67 HydrophobicContact SD-CD1 4.11Å; M45-I67 HydrophobicContact SD-CG1 4.14Å; M45-A109 HydrophobicContact CE-CB 3.33Å; M45-A109 HydrophobicContact SD-CB 4Å; M45-F110 HydrophobicContact CE-CD2 3.9Å; M45-F110 HydrophobicContact CE-CE2 4.08Å; M45-I113 HydrophobicContact CE-CD1 3.48Å; M45-I113 VanDerWaalsContact CE-CD1 3.48Å
46S98.2Very high94.4Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-159.8-178.2178-163.60000112A16 V23 Y64 F65 P66 I67A16-S46 WeakPolarHBondContact O-CA 3.46Å; A16-S46 WeakPolarHBondContact O-CB 3.48Å; A16-S46 PolarHBondContact O-OG 3.49Å; V23-S46 VanDerWaalsContact CG1-OG 3.31Å; V23-S46 WeakPolarHBondContact CG1-OG 3.42Å; V23-S46 WeakPolarHBondContact CG2-OG 3.32Å; S46-Y64 WeakPolarHBondContact CB-OH 3.28Å; S46-F65 PolarHBondContact N-O 2.95Å; S46-P66 CarbonylContact O-C 3.49Å; S46-P66 WeakPolarHBondContact O-CA 3.21Å; S46-I67 PolarHBondContact O-N 3.11Å
47H97.2Very high94.4Very high8 Ų838.9 Ų38.94%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-59.9142.6179.8-58.1-71.9000112.1F17 G18 A49 H50 Y64 I67 S69 P70 P71F17-H47 WeakPolarHBondContact CA-NE2 3.35Å; F17-H47 WeakPolarHBondContact CB-NE2 3.18Å; F17-H47 AromaticContact CD1-CD2 3.89Å; F17-H47 AromaticContact CD1-CE1 3.65Å; F17-H47 AromaticContact CD1-ND1 3.99Å; F17-H47 AromaticContact CD1-NE2 3.58Å; F17-H47 AromaticContact CG-NE2 3.83Å; G18-H47 PolarHBondContact N-NE2 3.29Å; G18-H47 PolarHBondContact O-CD2 3.06Å; H47-A49 HydrophobicContact CB-CB 4.39Å; H47-A49 PolarHBondContact O-N 2.88Å; H47-H50 AromaticContact CD2-NE2 4Å; H47-H50 PolarHBondContact O-N 2.75Å; H47-Y64 PolarHBondContact O-OH 3.25Å; H47-I67 CarbonylContact C-O 3.59Å; H47-I67 VanDerWaalsContact CA-O 3.29Å; H47-I67 WeakPolarHBondContact CA-O 3.26Å; H47-S69 PolarHBondContact CE1-OG 3.05Å; H47-S69 VanDerWaalsContact CE1-OG 3.3Å; H47-S69 PolarHBondContact ND1-O 3.49Å; H47-S69 PolarHBondContact ND1-OG 3.35Å; H47-S69 VanDerWaalsContact ND1-OG 3.07Å; H47-P70 PolarHBondContact CE1-O 3.24Å; H47-P71 HydrophobicContact CB-CG 3.95Å
48L96.1Very high94.4Very high74 Ų7441.4 Ų41.439%0.38723%0.233SC..G310 helixtrans-53-31.8173.6-178.565.1000112H50 E51 P66 I67L48-H50 PolarHBondContact O-N 3.46Å; L48-E51 HydrophobicContact CD1-CB 4.33Å; L48-E51 WeakPolarHBondContact CD1-OE2 3.46Å; L48-E51 WeakPolarHBondContact O-CB 3.44Å; L48-E51 PolarHBondContact O-N 3.46Å; L48-P66 HydrophobicContact CB-CB 4.28Å; L48-P66 HydrophobicContact CD1-CB 3.72Å; L48-P66 HydrophobicContact CD1-CG 4.4Å; L48-I67 PolarHBondContact N-O 3.22Å
49A92.3Very high94.5Very high67 Ų6740.8 Ų40.855%0.55423%0.228SC*.G310 helixtrans-57.1-20.917500000114.8H47 P71H47-A49 HydrophobicContact CB-CB 4.39Å; H47-A49 PolarHBondContact O-N 2.88Å; A49-P71 HydrophobicContact CB-CG 3.62Å
50H94.1Very high94.6Very high13 Ų1336 Ų366%0.0621%0.206CC..G310 helixtrans-102.513.1177.3-54.8-55.9000113.3G18 Y24 H47 L48 N52 L53 Y64G18-H50 PolarHBondContact O-NE2 2.93Å; Y24-H50 HydrophobicContact CE2-CB 4.38Å; Y24-H50 AromaticContact CE2-ND1 3.86Å; H47-H50 AromaticContact CD2-NE2 4Å; H47-H50 PolarHBondContact O-N 2.75Å; L48-H50 PolarHBondContact O-N 3.46Å; H50-N52 PolarHBondContact O-N 3.37Å; H50-N52 PolarHBondContact O-OD1 3.17Å; H50-L53 HydrophobicContact CB-CD1 4.27Å; H50-L53 WeakPolarHBondContact O-CB 3.37Å; H50-L53 PolarHBondContact O-N 3.26Å; H50-Y64 WeakPolarHBondContact CB-OH 3.32Å
51E93.3Very high94.7Very high102 Ų10243.4 Ų43.448%0.47724%0.239SC..G310 helixtrans-58.8-20.5-179.4-177.3175-14500113.2L48 L53 S54 Y64L48-E51 HydrophobicContact CD1-CB 4.33Å; L48-E51 WeakPolarHBondContact CD1-OE2 3.46Å; L48-E51 WeakPolarHBondContact O-CB 3.44Å; L48-E51 PolarHBondContact O-N 3.46Å; E51-L53 PolarHBondContact O-N 2.64Å; E51-L53 VanDerWaalsContact O-N 3.07Å; E51-S54 WeakPolarHBondContact O-CB 3.24Å; E51-S54 PolarHBondContact O-N 3.31Å; E51-S54 PolarHBondContact O-OG 3.32Å; E51-Y64 HydrophobicContact CB-CD1 4.48Å; E51-Y64 HydrophobicContact CB-CE1 4.03Å; E51-Y64 HydrophobicContact CG-CD1 4.4Å; E51-Y64 HydrophobicContact CG-CE1 4.42Å
52N89.4Confident94.8Very high86 Ų8640.9 Ų40.946%0.4622%0.223SC..G310 helixtrans-58.5-19.9172.775.2-58.6000113.3Y24 H50 S54 S55Y24-N52 VanDerWaalsContact OH-CG 3.31Å; Y24-N52 PolarHBondContact OH-ND2 3.07Å; Y24-N52 PolarHBondContact OH-OD1 3.36Å; H50-N52 PolarHBondContact O-N 3.37Å; H50-N52 PolarHBondContact O-OD1 3.17Å; N52-S54 PolarHBondContact O-N 2.94Å; N52-S55 PolarHBondContact O-OG 3.38Å
53L91.9Very high94.7Very high0 Ų044.1 Ų44.10%025%0.246CC..G310 helixtrans-65.6-23.8170.7-76.5172.1000113.4V23 Y24 A27 L44 H50 E51 S55 H56 L57 W266V23-L53 HydrophobicContact CG1-CD1 4.14Å; Y24-L53 HydrophobicContact CD1-CD2 3.67Å; Y24-L53 HydrophobicContact CD1-CG 4.46Å; Y24-L53 HydrophobicContact CD2-CD1 3.76Å; Y24-L53 HydrophobicContact CD2-CD2 4.24Å; Y24-L53 HydrophobicContact CD2-CG 4.24Å; Y24-L53 HydrophobicContact CE1-CD2 3.48Å; Y24-L53 VanDerWaalsContact CE1-CD2 3.48Å; Y24-L53 HydrophobicContact CE1-CG 4.05Å; Y24-L53 HydrophobicContact CE2-CD1 3.67Å; Y24-L53 HydrophobicContact CE2-CD2 4.09Å; Y24-L53 HydrophobicContact CE2-CG 3.82Å; Y24-L53 HydrophobicContact CG-CD1 4.27Å; Y24-L53 HydrophobicContact CG-CD2 4.06Å; A27-L53 HydrophobicContact CB-CD1 3.95Å; A27-L53 HydrophobicContact CB-CD2 4.45Å; L44-L53 HydrophobicContact CD2-CD1 4.11Å; H50-L53 HydrophobicContact CB-CD1 4.27Å; H50-L53 WeakPolarHBondContact O-CB 3.37Å; H50-L53 PolarHBondContact O-N 3.26Å; E51-L53 PolarHBondContact O-N 2.64Å; E51-L53 VanDerWaalsContact O-N 3.07Å; L53-S55 PolarHBondContact O-N 3.04Å; L53-H56 WeakPolarHBondContact O-CB 3.42Å; L53-H56 PolarHBondContact O-N 3.37Å; L53-L57 HydrophobicContact CB-CD1 3.85Å; L53-L57 HydrophobicContact CB-CG 4.27Å; L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 3.32Å; L53-W266 HydrophobicContact CD2-CE3 3.97Å; L53-W266 HydrophobicContact CD2-CZ3 4.14Å
54S93.3Very high94.7Very high35 Ų3545.1 Ų45.125%0.24525%0.249CC..Hα-helixtrans-57.9-35.7-173.5-55.50000113E51 N52 H56 L57 S58 Y64E51-S54 WeakPolarHBondContact O-CB 3.24Å; E51-S54 PolarHBondContact O-N 3.31Å; E51-S54 PolarHBondContact O-OG 3.32Å; N52-S54 PolarHBondContact O-N 2.94Å; S54-H56 VanDerWaalsContact C-N 3.32Å; S54-H56 PolarHBondContact O-N 3.42Å; S54-L57 PolarHBondContact O-N 2.96Å; S54-S58 VanDerWaalsContact O-CB 3.28Å; S54-S58 WeakPolarHBondContact O-CB 3.16Å; S54-S58 PolarHBondContact O-N 3.04Å; S54-S58 PolarHBondContact O-OG 3.08Å; S54-Y64 VanDerWaalsContact OG-CB 3.27Å; S54-Y64 WeakPolarHBondContact OG-CB 3.44Å; S54-Y64 WeakPolarHBondContact OG-CD1 3.27Å
55S90.6Very high94.7Very high61 Ų6147.9 Ų47.943%0.42726%0.261SS..Hα-helixtrans-64.5-37.4176.762.70000112N52 L53 S58N52-S55 PolarHBondContact O-OG 3.38Å; L53-S55 PolarHBondContact O-N 3.04Å; S55-S58 PolarHBondContact O-OG 3.38Å
56H90.7Very high94.6Very high20 Ų2050.1 Ų50.19%0.09328%0.276CS..Hα-helixtrans-78.2-41.3177.6-64.2-59.4000112.3L53 S54 K59 E265 W266L53-H56 WeakPolarHBondContact O-CB 3.42Å; L53-H56 PolarHBondContact O-N 3.37Å; S54-H56 VanDerWaalsContact C-N 3.32Å; S54-H56 PolarHBondContact O-N 3.42Å; H56-K59 WeakPolarHBondContact O-CB 3.32Å; H56-K59 PolarHBondContact O-N 3.18Å; H56-E265 PolarHBondContact CE1-O 3.44Å; H56-W266 HydrophobicContact CB-CD2 4.03Å; H56-W266 HydrophobicContact CB-CG 4.16Å; H56-W266 HydrophobicContact CB-CZ2 3.96Å; H56-W266 AromaticContact CD2-CD1 3.91Å; H56-W266 AromaticContact CE1-CD1 3.74Å; H56-W266 AromaticContact CG-CD1 3.34Å; H56-W266 AromaticContact CG-CG 3.82Å; H56-W266 AromaticContact CG-NE1 3.65Å; H56-W266 AromaticContact ND1-CD1 3.22Å; H56-W266 AromaticContact ND1-NE1 3.72Å
57L95.3Very high94.6Very high0 Ų050.2 Ų50.20%028%0.276CS..Hα-helixtrans-67.4-39.6-179.1-71.2174.5000112.3A27 A31 L44 L53 S54 K59 A60 K61 V62 Y64 W266A27-L57 HydrophobicContact CB-CD2 4.29Å; A31-L57 HydrophobicContact CB-CD2 4.45Å; L44-L57 HydrophobicContact CB-CD1 4.05Å; L44-L57 HydrophobicContact CD2-CD1 3.5Å; L44-L57 VanDerWaalsContact CD2-CD1 3.5Å; L44-L57 HydrophobicContact CG-CD1 4.41Å; L53-L57 HydrophobicContact CB-CD1 3.85Å; L53-L57 HydrophobicContact CB-CG 4.27Å; L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 3.32Å; S54-L57 PolarHBondContact O-N 2.96Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 2.64Å; L57-A60 CarbonylContact O-C 3.56Å; L57-A60 WeakPolarHBondContact O-CA 3.28Å; L57-A60 PolarHBondContact O-N 3.14Å; L57-K61 PolarHBondContact O-N 3.41Å; L57-K61 VanDerWaalsContact O-N 3.13Å; L57-V62 CarbonylContact C-O 3.42Å; L57-V62 HydrophobicContact CB-CB 3.97Å; L57-V62 HydrophobicContact CB-CG1 4.32Å; L57-V62 HydrophobicContact CD1-CG1 4.49Å; L57-V62 HydrophobicContact CD2-CB 4.03Å; L57-V62 HydrophobicContact CD2-CG1 4Å; L57-V62 HydrophobicContact CD2-CG2 4.47Å; L57-V62 HydrophobicContact CG-CG1 4.5Å; L57-V62 PolarHBondContact O-N 2.97Å; L57-Y64 HydrophobicContact CD1-CD2 3.79Å; L57-W266 HydrophobicContact CD2-CH2 4Å
58S94.6Very high94.6Very high74 Ų7454.9 Ų54.952%0.51730%0.301SS..Hα-helixtrans-60.7-36.817657.20000112.6S54 S55 A60 K61S54-S58 VanDerWaalsContact O-CB 3.28Å; S54-S58 WeakPolarHBondContact O-CB 3.16Å; S54-S58 PolarHBondContact O-N 3.04Å; S54-S58 PolarHBondContact O-OG 3.08Å; S55-S58 PolarHBondContact O-OG 3.38Å; S58-A60 PolarHBondContact O-N 3.14Å; S58-K61 PolarHBondContact O-N 2.67Å
59K92.2Very high94.4Very high124 Ų12452 Ų5254%0.53929%0.287SS..Hα-helixtrans-59.5-27.6171.9-66.2177.8-179.6-178.20112.2H56 L57 D275H56-K59 WeakPolarHBondContact O-CB 3.32Å; H56-K59 PolarHBondContact O-N 3.18Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 2.64Å; K59-D275 IonicContact NZ-OD1 2.73Å; K59-D275 PolarHBondContact NZ-OD1 3.34Å; K59-D275 IonicContact NZ-OD2 3.81Å
60A93.7Very high94.4Very high4 Ų451.4 Ų51.43%0.03328%0.278CS..THydrogen-bonded Turntrans-96.66175.600000113.9A31 A34 R35 L57 S58 V62A31-A60 HydrophobicContact CB-CB 3.69Å; A34-A60 WeakPolarHBondContact CB-O 3.47Å; R35-A60 HydrophobicContact CG-CB 4.47Å; L57-A60 CarbonylContact O-C 3.56Å; L57-A60 WeakPolarHBondContact O-CA 3.28Å; L57-A60 PolarHBondContact O-N 3.14Å; S58-A60 PolarHBondContact O-N 3.14Å; A60-V62 VanDerWaalsContact C-N 3.3Å; A60-V62 HydrophobicContact CB-CG2 4.36Å
61K96Very high94Very high171 Ų17152.7 Ų52.774%0.74329%0.287SS*.THydrogen-bonded Turntrans60.933.9-174.1-51.3-178.3178.71790113.8L57 S58L57-K61 PolarHBondContact O-N 3.41Å; L57-K61 VanDerWaalsContact O-N 3.13Å; S58-K61 PolarHBondContact O-N 2.67Å
62V98Very high93.5Very high5 Ų549.8 Ų49.83%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-101.8127.6171.2179.80000109A30 A34 V42 L44 L57 A60A30-V62 HydrophobicContact CB-CG1 4.46Å; A34-V62 HydrophobicContact CB-CG2 3.51Å; V42-V62 HydrophobicContact CB-CG2 4.12Å; V42-V62 HydrophobicContact CG1-CG1 4.11Å; V42-V62 HydrophobicContact CG1-CG2 3.95Å; L44-V62 HydrophobicContact CB-CG1 4.17Å; L57-V62 CarbonylContact C-O 3.42Å; L57-V62 HydrophobicContact CB-CB 3.97Å; L57-V62 HydrophobicContact CB-CG1 4.32Å; L57-V62 HydrophobicContact CD1-CG1 4.49Å; L57-V62 HydrophobicContact CD2-CB 4.03Å; L57-V62 HydrophobicContact CD2-CG1 4Å; L57-V62 HydrophobicContact CD2-CG2 4.47Å; L57-V62 HydrophobicContact CG-CG1 4.5Å; L57-V62 PolarHBondContact O-N 2.97Å; A60-V62 VanDerWaalsContact C-N 3.3Å; A60-V62 HydrophobicContact CB-CG2 4.36Å
63S97.6Very high93Very high72 Ų7248.8 Ų48.850%0.50328%0.275SS..EExtended strand (participates in β ladder)trans-82.7142.1174.2-61.10000110.6V42 V43 L44V42-S63 PolarHBondContact O-N 2.81Å; V43-S63 CarbonylContact C-O 3.54Å; V43-S63 WeakPolarHBondContact CA-O 3.24Å; L44-S63 PolarHBondContact N-O 2.97Å
64Y97.9Very high91.8Very high32 Ų3251.3 Ų51.313%0.12529%0.293CS..EExtended strand (participates in β ladder)trans-100.9132.5174.4-169.5-102000110.6L44 S46 H47 H50 E51 S54 L57 P66L44-Y64 HydrophobicContact CB-CD2 4.31Å; L44-Y64 HydrophobicContact CD2-CD2 3.95Å; L44-Y64 HydrophobicContact CD2-CE2 3.88Å; L44-Y64 HydrophobicContact CG-CD2 4.31Å; L44-Y64 HydrophobicContact CG-CE2 4.33Å; L44-Y64 CarbonylContact O-C 3.51Å; L44-Y64 WeakPolarHBondContact O-CA 2.97Å; S46-Y64 WeakPolarHBondContact CB-OH 3.28Å; H47-Y64 PolarHBondContact O-OH 3.25Å; H50-Y64 WeakPolarHBondContact CB-OH 3.32Å; E51-Y64 HydrophobicContact CB-CD1 4.48Å; E51-Y64 HydrophobicContact CB-CE1 4.03Å; E51-Y64 HydrophobicContact CG-CD1 4.4Å; E51-Y64 HydrophobicContact CG-CE1 4.42Å; S54-Y64 VanDerWaalsContact OG-CB 3.27Å; S54-Y64 WeakPolarHBondContact OG-CB 3.44Å; S54-Y64 WeakPolarHBondContact OG-CD1 3.27Å; L57-Y64 HydrophobicContact CD1-CD2 3.79Å; Y64-P66 HydrophobicContact CD1-CB 4.36Å; Y64-P66 HydrophobicContact CE1-CB 3.95Å
65F97.6Very high90.3Very high57 Ų5755.1 Ų55.125%0.2531%0.311CS..EExtended strand (participates in β ladder)trans-117.3104.8176-155.3-70.8000109.6V43 L44 M45 S46 I67 A109 T112 I113V43-F65 HydrophobicContact CG1-CB 4.06Å; L44-F65 PolarHBondContact O-N 3.04Å; M45-F65 WeakPolarHBondContact CA-O 3.26Å; M45-F65 HydrophobicContact CB-CB 4.33Å; S46-F65 PolarHBondContact N-O 2.95Å; F65-I67 HydrophobicContact CD1-CD1 4.44Å; F65-A109 HydrophobicContact CD1-CB 3.68Å; F65-A109 HydrophobicContact CE1-CB 3.34Å; F65-A109 HydrophobicContact CG-CB 4.47Å; F65-A109 HydrophobicContact CZ-CB 3.87Å; F65-T112 HydrophobicContact CE2-CG2 3.79Å; F65-T112 HydrophobicContact CZ-CG2 4.23Å; F65-I113 HydrophobicContact CB-CD1 4.32Å; F65-I113 HydrophobicContact CD2-CD1 3.93Å; F65-I113 HydrophobicContact CD2-CG1 3.94Å; F65-I113 HydrophobicContact CE2-CG1 4.25Å; F65-I113 HydrophobicContact CG-CD1 4.1Å
66P97.6Very high88.5Confident47 Ų4757.3 Ų57.331%0.30531%0.314SS..EExtended strand (participates in β ladder)trans-77145.5-176.730.2-33.6000112.4S46 L48 Y64S46-P66 CarbonylContact O-C 3.49Å; S46-P66 WeakPolarHBondContact O-CA 3.21Å; L48-P66 HydrophobicContact CB-CB 4.28Å; L48-P66 HydrophobicContact CD1-CB 3.72Å; L48-P66 HydrophobicContact CD1-CG 4.4Å; Y64-P66 HydrophobicContact CD1-CB 4.36Å; Y64-P66 HydrophobicContact CE1-CB 3.95Å
67I97.8Very high86.2Confident2 Ų259.3 Ų59.31%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-122.2134.5171-60.2-65000107.9F17 M45 S46 H47 L48 F65 S69 H102 E105 A109F17-I67 HydrophobicContact CE1-CB 4.03Å; F17-I67 HydrophobicContact CE1-CG1 3.96Å; F17-I67 HydrophobicContact CE1-CG2 4.31Å; F17-I67 HydrophobicContact CZ-CB 4.38Å; F17-I67 HydrophobicContact CZ-CG1 3.98Å; F17-I67 HydrophobicContact CZ-CG2 4.41Å; M45-I67 HydrophobicContact CG-CD1 4.15Å; M45-I67 HydrophobicContact CG-CG1 3.72Å; M45-I67 HydrophobicContact SD-CD1 4.11Å; M45-I67 HydrophobicContact SD-CG1 4.14Å; S46-I67 PolarHBondContact O-N 3.11Å; H47-I67 CarbonylContact C-O 3.59Å; H47-I67 VanDerWaalsContact CA-O 3.29Å; H47-I67 WeakPolarHBondContact CA-O 3.26Å; L48-I67 PolarHBondContact N-O 3.22Å; F65-I67 HydrophobicContact CD1-CD1 4.44Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 3.23Å; I67-H102 WeakPolarHBondContact CG2-ND1 3.39Å; I67-E105 HydrophobicContact CD1-CB 4.03Å; I67-E105 HydrophobicContact CG2-CB 4.21Å; I67-E105 WeakPolarHBondContact CG2-OE2 3.45Å; I67-A109 HydrophobicContact CD1-CB 4.07Å
68N96.4Very high83.6Confident106 Ų10668 Ų6857%0.56737%0.369SS*.  trans-75.7-15.5-168-64.9-46.4000114.2E105N68-E105 WeakPolarHBondContact CB-OE1 3.48Å; N68-E105 WeakPolarHBondContact CB-OE2 3.5Å; N68-E105 PolarHBondContact N-OE2 3.11Å; N68-E105 PolarHBondContact ND2-OE1 3.14Å
69S93.1Very high80.7Confident13 Ų1366.9 Ų66.99%0.09137%0.37CS..SBendtrans-59.4144.8-179.367.70000111.5H47 I67 H102H47-S69 PolarHBondContact CE1-OG 3.05Å; H47-S69 VanDerWaalsContact CE1-OG 3.3Å; H47-S69 PolarHBondContact ND1-O 3.49Å; H47-S69 PolarHBondContact ND1-OG 3.35Å; H47-S69 VanDerWaalsContact ND1-OG 3.07Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 3.23Å; S69-H102 WeakPolarHBondContact CB-ND1 3.41Å; S69-H102 PolarHBondContact OG-CE1 3.3Å; S69-H102 PolarHBondContact OG-ND1 3.29Å
70P90.5Very high78.1Confident55 Ų5567 Ų6736%0.35738%0.381SS..  trans-74.2147.7177.829.7-34.4000111.6H47 A72 L73H47-P70 PolarHBondContact CE1-O 3.24Å; P70-A72 PolarHBondContact O-N 2.86Å; P70-L73 HydrophobicContact CG-CD2 3.52Å; P70-L73 HydrophobicContact CG-CG 4.45Å
71P87.6Confident75.9Confident40 Ų4075 Ų7526%0.2642%0.417SS..SBendtrans-57.1-31.1174.3-30.537.6000115.5G18 H47 A49G18-P71 WeakPolarHBondContact O-CB 3.38Å; H47-P71 HydrophobicContact CB-CG 3.95Å; A49-P71 HydrophobicContact CB-CG 3.62Å
72A81.9Confident73.5Confident41 Ų4174.7 Ų74.734%0.33942%0.424SS..  trans-151.2144.4178.800000109.6P70 M319P70-A72 PolarHBondContact O-N 2.86Å; A72-M319 HydrophobicContact CB-CG 4.43Å
73L79.3Confident71.4Confident65 Ų6577.9 Ų77.934%0.3444%0.443SS..  trans-95.7122.4170.9-63.7173.9000108.7P70 F91 K95 I98P70-L73 HydrophobicContact CG-CD2 3.52Å; P70-L73 HydrophobicContact CG-CG 4.45Å; L73-F91 HydrophobicContact CB-CE2 4.22Å; L73-F91 HydrophobicContact CB-CZ 4.44Å; L73-K95 HydrophobicContact CD1-CB 4.11Å; L73-K95 HydrophobicContact CD1-CG 3.99Å; L73-I98 HydrophobicContact CD1-CD1 4.33Å; L73-I98 HydrophobicContact CD2-CD1 3.42Å; L73-I98 VanDerWaalsContact CD2-CD1 3.42Å
74S67.1Low69.7Low54 Ų5478.2 Ų78.238%0.37844%0.443SS..  trans-71136.8171.9176.80000109.6E76 F91S74-E76 PolarHBondContact O-N 2.85Å; S74-E76 PolarHBondContact OG-N 2.81Å; S74-F91 WeakPolarHBondContact O-CE2 3.39Å
75N60.5Low68.4Low115 Ų11582.9 Ų82.962%0.61547%0.47SS*.  trans-82.711.6174.2-81.1-10000113P77 F91N75-P77 WeakPolarHBondContact O-CD 3.49Å; N75-F91 WeakPolarHBondContact OD1-CE1 3.33Å; N75-F91 WeakPolarHBondContact OD1-CE2 3.43Å; N75-F91 WeakPolarHBondContact OD1-CZ 3.48Å
76E52.3Low67.3Low106 Ų10683.9 Ų83.950%0.49548%0.484SS..  trans-72.6120.6-175.1-81.2-158.1166.900113.5S74S74-E76 PolarHBondContact O-N 2.85Å; S74-E76 PolarHBondContact OG-N 2.81Å
77P42.8Very low66.1Low62 Ų6284 Ų8440%0.40348%0.481SS..  trans-101.2126.4136.532.7-29.6000110.5N75 G79 L87N75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-G79 PolarHBondContact O-N 3.31Å; P77-G79 VanDerWaalsContact O-N 3.13Å; P77-L87 HydrophobicContact CB-CB 4.19Å; P77-L87 HydrophobicContact CB-CD1 3.21Å; P77-L87 HydrophobicContact CB-CD2 3.9Å; P77-L87 HydrophobicContact CB-CG 3.96Å; P77-L87 HydrophobicContact CG-CB 4.4Å; P77-L87 HydrophobicContact CG-CD1 3.83Å
78Q40.4Very low65.1Low183 Ų18392.1 Ų92.186%0.85551%0.512SS*.  trans-72.695.9161.5-66.9178.91.400108.3
79G35.2Very low64.5Low51 Ų5193.1 Ų93.153%0.52651%0.511SS..SBendtrans170.7143.2174.500000115.7P77P77-G79 PolarHBondContact O-N 3.31Å; P77-G79 VanDerWaalsContact O-N 3.13Å
80T37Very low64.1Low127 Ų12797.8 Ų97.878%0.77953%0.533SS*.  trans-65.1154.2-17840.10000113.6N82 V83T80-N82 PolarHBondContact O-N 3.21Å; T80-V83 PolarHBondContact O-N 3.37Å
81Q47Very low63.7Low170 Ų17098.1 Ų98.179%0.79453%0.529SS*.G310 helixtrans-47.5-8.9-158.9-71.6172.3-22.600120.2T84Q81-T84 VanDerWaalsContact O-CG2 3.23Å; Q81-T84 WeakPolarHBondContact O-CG2 3.43Å; Q81-T84 PolarHBondContact O-OG1 3.49Å
82N47Very low63.6Low166 Ų166100.1 Ų100.189%0.88854%0.537SS*.G310 helixtrans-90-8.3-179.7-74.2-12.6000114.5T80 T84T80-N82 PolarHBondContact O-N 3.21Å; N82-T84 VanDerWaalsContact C-N 3.32Å
83V52.4Low64Low71 Ų71102.9 Ų102.943%0.4354%0.543SS..G310 helixtrans-94.710.7-179.9-161.10000111.2T80 L87T80-V83 PolarHBondContact O-N 3.37Å; V83-L87 HydrophobicContact CB-CD1 3.6Å; V83-L87 HydrophobicContact CB-CG 4.38Å; V83-L87 HydrophobicContact CG1-CD1 3.33Å; V83-L87 HydrophobicContact CG1-CG 3.65Å; V83-L87 VanDerWaalsContact O-CB 3.28Å; V83-L87 WeakPolarHBondContact O-CB 3.44Å; V83-L87 WeakPolarHBondContact O-CD1 3.49Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3Å
84T62.4Low64.4Low80 Ų80103.3 Ų103.349%0.49154%0.543SS..Hα-helixtrans-72.1-42.6-161.841.20000114.8Q81 N82 R88Q81-T84 VanDerWaalsContact O-CG2 3.23Å; Q81-T84 WeakPolarHBondContact O-CG2 3.43Å; Q81-T84 PolarHBondContact O-OG1 3.49Å; N82-T84 VanDerWaalsContact C-N 3.32Å; T84-R88 WeakPolarHBondContact O-CB 3.22Å; T84-R88 PolarHBondContact O-N 3.45Å
85D69.8Low65.5Low129 Ų129105 Ų10569%0.6954%0.544SS*.Hα-helixtrans-74.3-42.2-177.5-79.8-19.1000113.3R88 K89D85-R88 PolarHBondContact O-N 3.46Å; D85-K89 WeakPolarHBondContact O-CB 3.48Å; D85-K89 PolarHBondContact O-N 3.3Å
86S74.8Confident66.9Low78 Ų78102.9 Ų102.955%0.54553%0.53SS..Hα-helixtrans-63-45.4177.2-172.50000111.1K89 M90S86-K89 WeakPolarHBondContact O-CB 3.27Å; S86-K89 PolarHBondContact O-N 3.1Å; S86-M90 WeakPolarHBondContact O-CG 3.44Å; S86-M90 PolarHBondContact O-N 3.2Å
87L72.5Confident68.9Low49 Ų49102.7 Ų102.726%0.25753%0.525SS..Hα-helixtrans-65-40.4176.8-75164.7000112.2P77 V83 K89 M90 F91P77-L87 HydrophobicContact CB-CB 4.19Å; P77-L87 HydrophobicContact CB-CD1 3.21Å; P77-L87 HydrophobicContact CB-CD2 3.9Å; P77-L87 HydrophobicContact CB-CG 3.96Å; P77-L87 HydrophobicContact CG-CB 4.4Å; P77-L87 HydrophobicContact CG-CD1 3.83Å; V83-L87 HydrophobicContact CB-CD1 3.6Å; V83-L87 HydrophobicContact CB-CG 4.38Å; V83-L87 HydrophobicContact CG1-CD1 3.33Å; V83-L87 HydrophobicContact CG1-CG 3.65Å; V83-L87 VanDerWaalsContact O-CB 3.28Å; V83-L87 WeakPolarHBondContact O-CB 3.44Å; V83-L87 WeakPolarHBondContact O-CD1 3.49Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 3.06Å; L87-M90 PolarHBondContact O-N 2.84Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 PolarHBondContact O-N 3.24Å
88R77.4Confident71.3Confident173 Ų173100.9 Ų100.965%0.65351%0.512SS*.Hα-helixtrans-60.7-42174.4-176.1178.4-176.9-178.81.4111.1T84 D85 F91 L92T84-R88 WeakPolarHBondContact O-CB 3.22Å; T84-R88 PolarHBondContact O-N 3.45Å; D85-R88 PolarHBondContact O-N 3.46Å; R88-F91 PolarHBondContact O-N 3.24Å; R88-L92 HydrophobicContact CG-CD1 4.32Å; R88-L92 VanDerWaalsContact O-CG 3.29Å; R88-L92 WeakPolarHBondContact O-CG 3.43Å; R88-L92 PolarHBondContact O-N 2.93Å
89K83.1Confident73.8Confident127 Ų12793.7 Ų93.755%0.55248%0.477SS*.Hα-helixtrans-62.8-49.2176.2-166.5-170.4-177.1-122.80111.3D85 S86 L87 F91 L92 E93D85-K89 WeakPolarHBondContact O-CB 3.48Å; D85-K89 PolarHBondContact O-N 3.3Å; S86-K89 WeakPolarHBondContact O-CB 3.27Å; S86-K89 PolarHBondContact O-N 3.1Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 3.06Å; K89-F91 VanDerWaalsContact C-N 3.3Å; K89-F91 PolarHBondContact O-N 3.23Å; K89-L92 PolarHBondContact O-N 3.23Å; K89-L92 VanDerWaalsContact O-N 3.16Å; K89-E93 WeakPolarHBondContact CE-OE1 3.32Å; K89-E93 IonicContact NZ-OE1 2.69Å; K89-E93 PolarHBondContact NZ-OE1 3.29Å; K89-E93 WeakPolarHBondContact O-CG 3.38Å; K89-E93 PolarHBondContact O-N 3.48Å
90M84.3Confident76.6Confident111 Ų11196.8 Ų96.855%0.54747%0.473SS..Hα-helixtrans-57.8-42.5176.4-71.6177.264.200112S86 L87 E93 E94S86-M90 WeakPolarHBondContact O-CG 3.44Å; S86-M90 PolarHBondContact O-N 3.2Å; L87-M90 PolarHBondContact O-N 2.84Å; M90-E93 PolarHBondContact O-N 3.1Å; M90-E94 WeakPolarHBondContact O-CB 3.39Å; M90-E94 PolarHBondContact O-N 3.44Å
91F82.9Confident79.4Confident62 Ų6294.5 Ų94.527%0.27245%0.454SS..Hα-helixtrans-62.3-43176.4174.4-96.4000112.2L73 S74 N75 L87 R88 K89 E94 K95L73-F91 HydrophobicContact CB-CE2 4.22Å; L73-F91 HydrophobicContact CB-CZ 4.44Å; S74-F91 WeakPolarHBondContact O-CE2 3.39Å; N75-F91 WeakPolarHBondContact OD1-CE1 3.33Å; N75-F91 WeakPolarHBondContact OD1-CE2 3.43Å; N75-F91 WeakPolarHBondContact OD1-CZ 3.48Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 PolarHBondContact O-N 3.24Å; R88-F91 PolarHBondContact O-N 3.24Å; K89-F91 VanDerWaalsContact C-N 3.3Å; K89-F91 PolarHBondContact O-N 3.23Å; F91-E94 PolarHBondContact O-N 3.38Å; F91-K95 VanDerWaalsContact O-CB 3.29Å; F91-K95 WeakPolarHBondContact O-CB 3.24Å; F91-K95 PolarHBondContact O-N 3.29Å
92L86.3Confident81.8Confident82 Ų8287.2 Ų87.243%0.42942%0.42SS..Hα-helixtrans-65.1-43.6176.1-70.2171.1000111.4R88 K89 E94 K95 E96R88-L92 HydrophobicContact CG-CD1 4.32Å; R88-L92 VanDerWaalsContact O-CG 3.29Å; R88-L92 WeakPolarHBondContact O-CG 3.43Å; R88-L92 PolarHBondContact O-N 2.93Å; K89-L92 PolarHBondContact O-N 3.23Å; K89-L92 VanDerWaalsContact O-N 3.16Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 2.78Å; L92-K95 PolarHBondContact O-N 2.93Å; L92-E96 WeakPolarHBondContact O-CB 3.28Å; L92-E96 VanDerWaalsContact O-CG 3.3Å; L92-E96 WeakPolarHBondContact O-CG 3.3Å; L92-E96 PolarHBondContact O-N 2.91Å
93E88.8Confident84.1Confident99 Ų9979.9 Ų79.946%0.46338%0.38SS..Hα-helixtrans-60.4-43.8176.5-72.7172.4179.300111.5K89 M90 E96 R97K89-E93 WeakPolarHBondContact CE-OE1 3.32Å; K89-E93 IonicContact NZ-OE1 2.69Å; K89-E93 PolarHBondContact NZ-OE1 3.29Å; K89-E93 WeakPolarHBondContact O-CG 3.38Å; K89-E93 PolarHBondContact O-N 3.48Å; M90-E93 PolarHBondContact O-N 3.1Å; E93-E96 PolarHBondContact O-N 3.05Å; E93-R97 WeakPolarHBondContact O-CB 3.41Å; E93-R97 PolarHBondContact O-N 2.89Å
94E88.9Confident86.2Confident75 Ų7581.8 Ų81.835%0.3538%0.384SS..Hα-helixtrans-66-44.3176.7178.961.4-177.200112.2M90 F91 L92 E96 R97 I98M90-E94 WeakPolarHBondContact O-CB 3.39Å; M90-E94 PolarHBondContact O-N 3.44Å; F91-E94 PolarHBondContact O-N 3.38Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 2.78Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.22Å; E94-R97 VanDerWaalsContact CD-NH2 3.28Å; E94-R97 WeakPolarHBondContact O-CB 3.27Å; E94-R97 PolarHBondContact O-N 3.12Å; E94-R97 IonicContact OE1-CZ 3.29Å; E94-R97 IonicContact OE1-NE 3.62Å; E94-R97 IonicContact OE1-NH2 3.93Å; E94-R97 PolarHBondContact OE1-NH2 2.98Å; E94-R97 IonicContact OE2-CZ 3Å; E94-R97 IonicContact OE2-NE 3.94Å; E94-R97 PolarHBondContact OE2-NE 3.45Å; E94-R97 IonicContact OE2-NH2 3.74Å; E94-R97 PolarHBondContact OE2-NH2 3.5Å; E94-R97 VanDerWaalsContact OE2-NH2 3.08Å; E94-I98 HydrophobicContact CG-CD1 4Å; E94-I98 WeakPolarHBondContact O-CG1 3.26Å; E94-I98 PolarHBondContact O-N 2.85Å; E94-I98 WeakPolarHBondContact OE1-CD1 3.29Å
95K89.5Confident87.9Confident90 Ų9080.5 Ų80.539%0.39137%0.372SS..Hα-helixtrans-57.1-45.9174.8180-172.2174.3-167.20111.2L73 F91 L92 R97 I98 K99L73-K95 HydrophobicContact CD1-CB 4.11Å; L73-K95 HydrophobicContact CD1-CG 3.99Å; F91-K95 VanDerWaalsContact O-CB 3.29Å; F91-K95 WeakPolarHBondContact O-CB 3.24Å; F91-K95 PolarHBondContact O-N 3.29Å; L92-K95 PolarHBondContact O-N 2.93Å; K95-R97 VanDerWaalsContact C-N 3.34Å; K95-I98 PolarHBondContact O-N 2.99Å; K95-K99 WeakPolarHBondContact O-CB 3.49Å; K95-K99 PolarHBondContact O-N 3.44Å
96E90.8Very high89.2Confident70 Ų7074.3 Ų74.333%0.32734%0.339SS..Hα-helixtrans-64.9-38.3178.2-71.9-55.6117.500112.2L92 E93 E94 K99 R100L92-E96 WeakPolarHBondContact O-CB 3.28Å; L92-E96 VanDerWaalsContact O-CG 3.3Å; L92-E96 WeakPolarHBondContact O-CG 3.3Å; L92-E96 PolarHBondContact O-N 2.91Å; E93-E96 PolarHBondContact O-N 3.05Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.22Å; E96-K99 IonicContact OE1-NZ 3.88Å; E96-K99 PolarHBondContact OE1-NZ 3.3Å; E96-K99 VanDerWaalsContact OE2-CE 3.23Å; E96-K99 WeakPolarHBondContact OE2-CE 3.42Å; E96-K99 IonicContact OE2-NZ 2.9Å; E96-K99 PolarHBondContact OE2-NZ 2.98Å; E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 2.97Å; E96-R100 VanDerWaalsContact O-N 3.13Å; E96-R100 PolarHBondContact O-NH1 2.8Å
97R93.5Very high90.2Very high102 Ų10271.7 Ų71.739%0.38532%0.318SS..Hα-helixtrans-61.7-53.7173.9-175.7-176.973.598.3-5.2111.5E93 E94 K95 K99 R100 E101E93-R97 WeakPolarHBondContact O-CB 3.41Å; E93-R97 PolarHBondContact O-N 2.89Å; E94-R97 VanDerWaalsContact CD-NH2 3.28Å; E94-R97 WeakPolarHBondContact O-CB 3.27Å; E94-R97 PolarHBondContact O-N 3.12Å; E94-R97 IonicContact OE1-CZ 3.29Å; E94-R97 IonicContact OE1-NE 3.62Å; E94-R97 IonicContact OE1-NH2 3.93Å; E94-R97 PolarHBondContact OE1-NH2 2.98Å; E94-R97 IonicContact OE2-CZ 3Å; E94-R97 IonicContact OE2-NE 3.94Å; E94-R97 PolarHBondContact OE2-NE 3.45Å; E94-R97 IonicContact OE2-NH2 3.74Å; E94-R97 PolarHBondContact OE2-NH2 3.5Å; E94-R97 VanDerWaalsContact OE2-NH2 3.08Å; K95-R97 VanDerWaalsContact C-N 3.34Å; R97-K99 VanDerWaalsContact C-N 3.26Å; R97-K99 PolarHBondContact O-N 3.14Å; R97-R100 PolarHBondContact O-N 3.24Å; R97-R100 VanDerWaalsContact O-N 3.15Å; R97-E101 VanDerWaalsContact CG-OE1 3.3Å; R97-E101 WeakPolarHBondContact CG-OE1 3.23Å; R97-E101 IonicContact CZ-OE1 2.77Å; R97-E101 IonicContact NE-OE1 3.56Å; R97-E101 IonicContact NH1-OE1 2.76Å; R97-E101 PolarHBondContact NH1-OE1 3.18Å; R97-E101 IonicContact NH1-OE2 3.98Å; R97-E101 PolarHBondContact NH1-OE2 3.2Å; R97-E101 WeakPolarHBondContact O-CG 3.44Å; R97-E101 PolarHBondContact O-N 2.91Å
98I93Very high91.4Very high24 Ų2472.4 Ų72.412%0.12333%0.327CS..Hα-helixtrans-58.3-40.7179.5-70.1175.7000110.8L73 E94 K95 E101 H102L73-I98 HydrophobicContact CD1-CD1 4.33Å; L73-I98 HydrophobicContact CD2-CD1 3.42Å; L73-I98 VanDerWaalsContact CD2-CD1 3.42Å; E94-I98 HydrophobicContact CG-CD1 4Å; E94-I98 WeakPolarHBondContact O-CG1 3.26Å; E94-I98 PolarHBondContact O-N 2.85Å; E94-I98 WeakPolarHBondContact OE1-CD1 3.29Å; K95-I98 PolarHBondContact O-N 2.99Å; I98-E101 PolarHBondContact O-N 3.18Å; I98-H102 WeakPolarHBondContact O-CB 3.38Å; I98-H102 PolarHBondContact O-N 3.33Å
99K93.1Very high92.3Very high31 Ų3164.2 Ų64.214%0.13530%0.297CS..Hα-helixtrans-62.3-43.9177.5-175.8-179.269.5-165.50112.6K95 E96 R97 R103 E200K95-K99 WeakPolarHBondContact O-CB 3.49Å; K95-K99 PolarHBondContact O-N 3.44Å; E96-K99 IonicContact OE1-NZ 3.88Å; E96-K99 PolarHBondContact OE1-NZ 3.3Å; E96-K99 VanDerWaalsContact OE2-CE 3.23Å; E96-K99 WeakPolarHBondContact OE2-CE 3.42Å; E96-K99 IonicContact OE2-NZ 2.9Å; E96-K99 PolarHBondContact OE2-NZ 2.98Å; R97-K99 VanDerWaalsContact C-N 3.26Å; R97-K99 PolarHBondContact O-N 3.14Å; K99-R103 WeakPolarHBondContact O-CG 3.21Å; K99-R103 PolarHBondContact O-N 2.87Å; K99-E200 WeakPolarHBondContact CD-OE1 3.33Å; K99-E200 VanDerWaalsContact CE-OE1 3.31Å; K99-E200 WeakPolarHBondContact CE-OE1 3.35Å; K99-E200 IonicContact NZ-OE1 3.75Å; K99-E200 PolarHBondContact NZ-OE1 3.09Å
100R94.2Very high92.9Very high116 Ų11658.1 Ų58.144%0.43827%0.27SS..Hα-helixtrans-64.4-48.4176.3-72.7-169.8-57-85-1.9111.5E96 R97 H102 R103 Q104E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 2.97Å; E96-R100 VanDerWaalsContact O-N 3.13Å; E96-R100 PolarHBondContact O-NH1 2.8Å; R97-R100 PolarHBondContact O-N 3.24Å; R97-R100 VanDerWaalsContact O-N 3.15Å; R100-H102 VanDerWaalsContact C-N 3.31Å; R100-H102 PolarHBondContact O-N 3.2Å; R100-R103 PolarHBondContact O-N 3.5Å; R100-Q104 WeakPolarHBondContact O-CG 3.32Å; R100-Q104 PolarHBondContact O-N 3.41Å
101E96Very high93.4Very high80 Ų8059.4 Ų59.437%0.37427%0.269SS..Hα-helixtrans-57.9-45.2177-70.3171.6-17400110.8R97 I98 R103 Q104 E105R97-E101 VanDerWaalsContact CG-OE1 3.3Å; R97-E101 WeakPolarHBondContact CG-OE1 3.23Å; R97-E101 IonicContact CZ-OE1 2.77Å; R97-E101 IonicContact NE-OE1 3.56Å; R97-E101 IonicContact NH1-OE1 2.76Å; R97-E101 PolarHBondContact NH1-OE1 3.18Å; R97-E101 IonicContact NH1-OE2 3.98Å; R97-E101 PolarHBondContact NH1-OE2 3.2Å; R97-E101 WeakPolarHBondContact O-CG 3.44Å; R97-E101 PolarHBondContact O-N 2.91Å; I98-E101 PolarHBondContact O-N 3.18Å; E101-R103 PolarHBondContact O-N 3.34Å; E101-Q104 PolarHBondContact O-N 3.39Å; E101-E105 WeakPolarHBondContact O-CG 3.28Å; E101-E105 PolarHBondContact O-N 2.97Å
102H96.7Very high94Very high17 Ų1761 Ų618%0.07928%0.284CS..Hα-helixtrans-57.5-48.4176.517969.6000113.1F17 I67 S69 I98 R100 Q104 E105 C106 E133F17-H102 AromaticContact CD1-CE1 3.94Å; F17-H102 AromaticContact CD2-CE1 3.53Å; F17-H102 AromaticContact CD2-NE2 3.41Å; F17-H102 WeakPolarHBondContact CD2-NE2 3.41Å; F17-H102 AromaticContact CE1-CE1 3.67Å; F17-H102 AromaticContact CE2-CE1 3.2Å; F17-H102 WeakPolarHBondContact CE2-CE1 3.38Å; F17-H102 AromaticContact CE2-NE2 3.2Å; F17-H102 WeakPolarHBondContact CE2-NE2 3.49Å; F17-H102 AromaticContact CG-CE1 3.91Å; F17-H102 AromaticContact CZ-CE1 3.32Å; F17-H102 WeakPolarHBondContact CZ-CE1 3.33Å; F17-H102 AromaticContact CZ-NE2 3.82Å; I67-H102 WeakPolarHBondContact CG2-ND1 3.39Å; S69-H102 WeakPolarHBondContact CB-ND1 3.41Å; S69-H102 PolarHBondContact OG-CE1 3.3Å; S69-H102 PolarHBondContact OG-ND1 3.29Å; I98-H102 WeakPolarHBondContact O-CB 3.38Å; I98-H102 PolarHBondContact O-N 3.33Å; R100-H102 VanDerWaalsContact C-N 3.31Å; R100-H102 PolarHBondContact O-N 3.2Å; H102-Q104 VanDerWaalsContact C-N 3.34Å; H102-Q104 PolarHBondContact O-N 3.06Å; H102-E105 PolarHBondContact O-N 2.76Å; H102-C106 PolarHBondContact O-N 2.85Å; H102-C106 PolarHBondContact O-SG 3.26Å; H102-E133 IonicContact CD2-OE1 2.69Å
103R96.6Very high94.4Very high11 Ų1158.2 Ų58.24%0.04227%0.269CS..Hα-helixtrans-62.5-41.2178.7-76.8169.9173.1-175.7-2.8111.9K99 R100 E101 C106 H107 E133 E200 W204K99-R103 WeakPolarHBondContact O-CG 3.21Å; K99-R103 PolarHBondContact O-N 2.87Å; R100-R103 PolarHBondContact O-N 3.5Å; E101-R103 PolarHBondContact O-N 3.34Å; R103-C106 PolarHBondContact O-N 3.25Å; R103-H107 WeakPolarHBondContact O-CB 2.78Å; R103-H107 PolarHBondContact O-N 3.35Å; R103-E133 HydrophobicContact CG-CG 3.76Å; R103-E133 IonicContact NE-OE1 2.77Å; R103-E200 PolarHBondContact NH1-O 2.89Å; R103-W204 HydrophobicContact CB-CZ2 3.94Å; R103-W204 HydrophobicContact CG-CD2 4.36Å; R103-W204 HydrophobicContact CG-CZ2 4.02Å; R103-W204 VanDerWaalsContact NH1-CB 3.27Å
104Q96.4Very high94.6Very high112 Ų11253.6 Ų53.652%0.52325%0.247SC..Hα-helixtrans-63.8-43.1176.3-71.7178.1-8.100111.9R100 E101 H102 H107 S108R100-Q104 WeakPolarHBondContact O-CG 3.32Å; R100-Q104 PolarHBondContact O-N 3.41Å; E101-Q104 PolarHBondContact O-N 3.39Å; H102-Q104 VanDerWaalsContact C-N 3.34Å; H102-Q104 PolarHBondContact O-N 3.06Å; Q104-H107 PolarHBondContact O-N 3.01Å; Q104-S108 WeakPolarHBondContact O-CB 3.37Å; Q104-S108 PolarHBondContact O-N 2.57Å
105E97.3Very high94.5Very high52 Ų5251.3 Ų51.324%0.24325%0.245CC..Hα-helixtrans-62.6-44.8174.6-74-174.3-175.300111.8I67 N68 E101 H102 H107 S108 A109I67-E105 HydrophobicContact CD1-CB 4.03Å; I67-E105 HydrophobicContact CG2-CB 4.21Å; I67-E105 WeakPolarHBondContact CG2-OE2 3.45Å; N68-E105 WeakPolarHBondContact CB-OE1 3.48Å; N68-E105 WeakPolarHBondContact CB-OE2 3.5Å; N68-E105 PolarHBondContact N-OE2 3.11Å; N68-E105 PolarHBondContact ND2-OE1 3.14Å; E101-E105 WeakPolarHBondContact O-CG 3.28Å; E101-E105 PolarHBondContact O-N 2.97Å; H102-E105 PolarHBondContact O-N 2.76Å; E105-H107 PolarHBondContact O-N 3.45Å; E105-S108 PolarHBondContact O-N 3.1Å; E105-A109 WeakPolarHBondContact O-CB 3.33Å; E105-A109 PolarHBondContact O-N 3.49Å
106C97.6Very high93.8Very high0 Ų057 Ų570%027%0.269CS..Hα-helixtrans-59.1-45.3176-67.20000111.7M15 H102 R103 S108 A109 F110 L137M15-C106 HydrophobicContact CE-CB 3.98Å; H102-C106 PolarHBondContact O-N 2.85Å; H102-C106 PolarHBondContact O-SG 3.26Å; R103-C106 PolarHBondContact O-N 3.25Å; C106-S108 PolarHBondContact O-N 2.88Å; C106-A109 WeakPolarHBondContact O-CB 3.22Å; C106-A109 PolarHBondContact O-N 3.46Å; C106-F110 WeakPolarHBondContact O-CD2 3.38Å; C106-F110 PolarHBondContact O-N 3.04Å; C106-L137 HydrophobicContact CB-CD1 3.93Å
107H95.9Very high93Very high22 Ų2259.4 Ų59.410%0.10228%0.284CS..Hα-helixtrans-63.1-43.1177.6-173.5-175.7000111.9R103 Q104 E105 A109 F110 R111 L137R103-H107 WeakPolarHBondContact O-CB 2.78Å; R103-H107 PolarHBondContact O-N 3.35Å; Q104-H107 PolarHBondContact O-N 3.01Å; E105-H107 PolarHBondContact O-N 3.45Å; H107-A109 VanDerWaalsContact C-N 3.32Å; H107-A109 PolarHBondContact O-N 2.93Å; H107-F110 PolarHBondContact O-N 3.24Å; H107-R111 VanDerWaalsContact CE1-CZ 3.47Å; H107-R111 PolarHBondContact CE1-NH2 2.87Å; H107-R111 VanDerWaalsContact NE2-CZ 3.29Å; H107-R111 PolarHBondContact NE2-NE 2.97Å; H107-R111 PolarHBondContact NE2-NH2 3.2Å; H107-R111 PolarHBondContact O-N 2.74Å; H107-L137 HydrophobicContact CB-CD2 4.03Å
108S96Very high92.2Very high64 Ų6460.2 Ų60.245%0.44830%0.303SS..Hα-helixtrans-61.3-41174.4-170.90000112.1Q104 E105 C106 R111 T112Q104-S108 WeakPolarHBondContact O-CB 3.37Å; Q104-S108 PolarHBondContact O-N 2.57Å; E105-S108 PolarHBondContact O-N 3.1Å; C106-S108 PolarHBondContact O-N 2.88Å; S108-R111 PolarHBondContact O-N 3.02Å; S108-T112 PolarHBondContact O-N 3.49Å; S108-T112 PolarHBondContact O-OG1 3.46Å
109A96.6Very high91.6Very high1 Ų160.7 Ų60.71%0.00831%0.308CS..Hα-helixtrans-64.3-43.3177.600000111.8M45 F65 I67 E105 C106 H107 R111 T112 I113M45-A109 HydrophobicContact CE-CB 3.33Å; M45-A109 HydrophobicContact SD-CB 4Å; F65-A109 HydrophobicContact CD1-CB 3.68Å; F65-A109 HydrophobicContact CE1-CB 3.34Å; F65-A109 HydrophobicContact CG-CB 4.47Å; F65-A109 HydrophobicContact CZ-CB 3.87Å; I67-A109 HydrophobicContact CD1-CB 4.07Å; E105-A109 WeakPolarHBondContact O-CB 3.33Å; E105-A109 PolarHBondContact O-N 3.49Å; C106-A109 WeakPolarHBondContact O-CB 3.22Å; C106-A109 PolarHBondContact O-N 3.46Å; H107-A109 VanDerWaalsContact C-N 3.32Å; H107-A109 PolarHBondContact O-N 2.93Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 2.88Å; A109-T112 WeakPolarHBondContact O-CB 3.39Å; A109-T112 PolarHBondContact O-N 3.33Å; A109-T112 VanDerWaalsContact O-N 3.13Å; A109-I113 WeakPolarHBondContact O-CB 3.36Å; A109-I113 WeakPolarHBondContact O-CD1 3.22Å; A109-I113 VanDerWaalsContact O-CG1 3.27Å; A109-I113 WeakPolarHBondContact O-CG1 3.38Å; A109-I113 PolarHBondContact O-N 2.92Å
110F96.3Very high91.1Very high0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-58.6-43.2174.2-92.5-117.4000112.3L13 M15 M45 C106 H107 T112 I113 F114 V125 L137 F141 I143L13-F110 HydrophobicContact CD2-CD2 4.07Å; L13-F110 HydrophobicContact CD2-CE1 4.16Å; L13-F110 HydrophobicContact CD2-CE2 3.55Å; L13-F110 HydrophobicContact CD2-CZ 3.62Å; M15-F110 HydrophobicContact CE-CE2 4.41Å; M15-F110 HydrophobicContact SD-CE2 3.62Å; M15-F110 HydrophobicContact SD-CZ 4Å; M45-F110 HydrophobicContact CE-CD2 3.9Å; M45-F110 HydrophobicContact CE-CE2 4.08Å; C106-F110 WeakPolarHBondContact O-CD2 3.38Å; C106-F110 PolarHBondContact O-N 3.04Å; H107-F110 PolarHBondContact O-N 3.24Å; F110-T112 VanDerWaalsContact C-N 3.3Å; F110-T112 PolarHBondContact O-N 3.37Å; F110-I113 PolarHBondContact O-N 3.22Å; F110-F114 AromaticContact CD1-CD2 3.9Å; F110-F114 HydrophobicContact CD1-CD2 3.9Å; F110-F114 AromaticContact CD1-CE2 3.79Å; F110-F114 HydrophobicContact CD1-CE2 3.79Å; F110-F114 AromaticContact CE1-CE2 3.96Å; F110-F114 HydrophobicContact CE1-CE2 3.96Å; F110-F114 HydrophobicContact CG-CD2 4.36Å; F110-F114 HydrophobicContact CG-CE2 4.39Å; F110-F114 PolarHBondContact O-N 3.46Å; F110-V125 HydrophobicContact CZ-CG2 4.14Å; F110-L137 HydrophobicContact CD1-CB 3.69Å; F110-L137 HydrophobicContact CD2-CB 4.3Å; F110-L137 HydrophobicContact CD2-CD1 3.66Å; F110-L137 HydrophobicContact CE1-CB 3.51Å; F110-L137 HydrophobicContact CE2-CB 4.15Å; F110-L137 HydrophobicContact CE2-CD1 3.7Å; F110-L137 HydrophobicContact CG-CB 4.07Å; F110-L137 HydrophobicContact CG-CD1 4.08Å; F110-L137 HydrophobicContact CZ-CB 3.75Å; F110-L137 HydrophobicContact CZ-CD1 4.15Å; F110-F141 HydrophobicContact CB-CD2 4.18Å; F110-F141 HydrophobicContact CB-CE1 4.37Å; F110-F141 HydrophobicContact CB-CE2 3.57Å; F110-F141 HydrophobicContact CB-CZ 3.67Å; F110-F141 AromaticContact CD1-CD2 3.83Å; F110-F141 HydrophobicContact CD1-CD2 3.83Å; F110-F141 HydrophobicContact CD1-CE2 4.09Å; F110-F141 HydrophobicContact CD1-CG 4.27Å; F110-F141 HydrophobicContact CG-CD2 4.46Å; F110-F141 HydrophobicContact CG-CE2 4.27Å; F110-I143 HydrophobicContact CE1-CD1 4.21Å
111R94.6Very high90.4Very high138 Ų13863.6 Ų63.652%0.52133%0.328SS..Hα-helixtrans-62-38.2175.9-68.6-180-175.2137.7-8.9112.3H107 S108 A109 G115 F141H107-R111 VanDerWaalsContact CE1-CZ 3.47Å; H107-R111 PolarHBondContact CE1-NH2 2.87Å; H107-R111 VanDerWaalsContact NE2-CZ 3.29Å; H107-R111 PolarHBondContact NE2-NE 2.97Å; H107-R111 PolarHBondContact NE2-NH2 3.2Å; H107-R111 PolarHBondContact O-N 2.74Å; S108-R111 PolarHBondContact O-N 3.02Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 2.88Å; R111-G115 WeakPolarHBondContact O-CA 3.28Å; R111-G115 PolarHBondContact O-N 3.44Å; R111-G115 VanDerWaalsContact O-N 3.08Å; R111-F141 HydrophobicContact CB-CZ 4.46Å; R111-F141 HydrophobicContact CG-CZ 3.78Å
112T95.3Very high90Very high94 Ų9460.3 Ų60.358%0.57732%0.315SS*.Hα-helixtrans-68.6-41.6177.3-56.80000111.5F65 S108 A109 F110F65-T112 HydrophobicContact CE2-CG2 3.79Å; F65-T112 HydrophobicContact CZ-CG2 4.23Å; S108-T112 PolarHBondContact O-N 3.49Å; S108-T112 PolarHBondContact O-OG1 3.46Å; A109-T112 WeakPolarHBondContact O-CB 3.39Å; A109-T112 PolarHBondContact O-N 3.33Å; A109-T112 VanDerWaalsContact O-N 3.13Å; F110-T112 VanDerWaalsContact C-N 3.3Å; F110-T112 PolarHBondContact O-N 3.37Å
113I95Very high89.9Confident25 Ų2559.6 Ų59.613%0.12831%0.312CS..Hα-helixtrans-76.7-52-174.3-68.7164.2000111.6I11 L13 V43 M45 F65 A109 F110I11-I113 HydrophobicContact CD1-CG2 4.44Å; I11-I113 WeakPolarHBondContact CD1-O 3.49Å; I11-I113 HydrophobicContact CG2-CG2 3.81Å; L13-I113 HydrophobicContact CD1-CD1 3.88Å; L13-I113 HydrophobicContact CD2-CD1 4.4Å; V43-I113 HydrophobicContact CG1-CD1 3.96Å; V43-I113 HydrophobicContact CG1-CG1 4.39Å; V43-I113 HydrophobicContact CG2-CG2 4.31Å; M45-I113 HydrophobicContact CE-CD1 3.48Å; M45-I113 VanDerWaalsContact CE-CD1 3.48Å; F65-I113 HydrophobicContact CB-CD1 4.32Å; F65-I113 HydrophobicContact CD2-CD1 3.93Å; F65-I113 HydrophobicContact CD2-CG1 3.94Å; F65-I113 HydrophobicContact CE2-CG1 4.25Å; F65-I113 HydrophobicContact CG-CD1 4.1Å; A109-I113 WeakPolarHBondContact O-CB 3.36Å; A109-I113 WeakPolarHBondContact O-CD1 3.22Å; A109-I113 VanDerWaalsContact O-CG1 3.27Å; A109-I113 WeakPolarHBondContact O-CG1 3.38Å; A109-I113 PolarHBondContact O-N 2.92Å; F110-I113 PolarHBondContact O-N 3.22Å
114F93.5Very high89.9Confident1 Ų159.1 Ų59.10%0.00431%0.31CS..Hα-helixtrans-87.2-13.2-176.6-66.9-76.9000113.5R8 I11 L13 F110 D123 F141 I143R8-F114 PolarHBondContact NH1-O 3.07Å; R8-F114 PolarHBondContact NH2-O 3.18Å; I11-F114 HydrophobicContact CB-CD1 4.1Å; I11-F114 HydrophobicContact CB-CE1 3.71Å; I11-F114 HydrophobicContact CD1-CD1 4.04Å; I11-F114 HydrophobicContact CD1-CE1 4.49Å; I11-F114 HydrophobicContact CG2-CD1 4.2Å; I11-F114 HydrophobicContact CG2-CE1 3.64Å; I11-F114 HydrophobicContact CG2-CZ 4.06Å; L13-F114 HydrophobicContact CB-CE2 4.22Å; L13-F114 HydrophobicContact CB-CZ 3.84Å; L13-F114 HydrophobicContact CD2-CE2 3.72Å; L13-F114 HydrophobicContact CD2-CZ 4.19Å; F110-F114 AromaticContact CD1-CD2 3.9Å; F110-F114 HydrophobicContact CD1-CD2 3.9Å; F110-F114 AromaticContact CD1-CE2 3.79Å; F110-F114 HydrophobicContact CD1-CE2 3.79Å; F110-F114 AromaticContact CE1-CE2 3.96Å; F110-F114 HydrophobicContact CE1-CE2 3.96Å; F110-F114 HydrophobicContact CG-CD2 4.36Å; F110-F114 HydrophobicContact CG-CE2 4.39Å; F110-F114 PolarHBondContact O-N 3.46Å; F114-D123 HydrophobicContact CD1-CB 4.39Å; F114-D123 HydrophobicContact CE1-CB 4.07Å; F114-F141 HydrophobicContact CB-CD1 3.89Å; F114-F141 HydrophobicContact CB-CE1 4.18Å; F114-F141 HydrophobicContact CD2-CD1 4.47Å; F114-F141 HydrophobicContact CG-CD1 4.45Å; F114-I143 HydrophobicContact CD1-CD1 4.49Å; F114-I143 HydrophobicContact CD2-CD1 4.33Å; F114-I143 HydrophobicContact CE1-CD1 3.79Å; F114-I143 HydrophobicContact CE1-CG2 4.42Å; F114-I143 HydrophobicContact CE2-CD1 3.6Å; F114-I143 HydrophobicContact CZ-CD1 3.3Å
115G86.2Confident90Very high28 Ų2853.8 Ų53.829%0.28929%0.286SS..  trans75.8-164.3-178.600000113.1R111R111-G115 WeakPolarHBondContact O-CA 3.28Å; R111-G115 PolarHBondContact O-N 3.44Å; R111-G115 VanDerWaalsContact O-N 3.08Å
116K75.7Confident90Very high210 Ų21051.4 Ų51.491%0.91327%0.274SS*.SBendtrans-99.3-16.5175.5-66.3-175.9-180179.80113.3
117D74.2Confident90Very high119 Ų11951.4 Ų51.464%0.63627%0.274SS*.SBendtrans-72.6153.1179.4-60.3-43.5000110.3C119D117-C119 PolarHBondContact O-N 2.76Å
118P76.8Confident90.1Very high119 Ų11950.3 Ų50.377%0.77327%0.269SS*.PPolyproline II helixtrans-52.5131.5174.9-22.532000110.6
119C80.4Confident90Very high34 Ų3447.5 Ų47.523%0.2325%0.249CC..PPolyproline II helixtrans-58.1146.8177-65.20000110.8D117 D123 F141 I143D117-C119 PolarHBondContact O-N 2.76Å; C119-D123 HydrophobicContact CB-CB 4.22Å; C119-F141 PolarHBondContact SG-O 3.18Å; C119-I143 HydrophobicContact CB-CG2 3.51Å; C119-I143 VanDerWaalsContact SG-CG2 3.6Å
120M81.3Confident89.9Confident73 Ų7351 Ų5136%0.3626%0.264SS..PPolyproline II helixtrans-80.1151.6-177-66.9-177.761.700111.5R8 G122 D123R8-M120 HydrophobicContact CB-SD 3.73Å; R8-M120 HydrophobicContact CG-SD 3.6Å; R8-M120 WeakPolarHBondContact O-CE 3.3Å; M120-G122 PolarHBondContact O-N 2.82Å; M120-D123 PolarHBondContact N-OD2 2.79Å; M120-D123 WeakPolarHBondContact O-CB 3.48Å; M120-D123 PolarHBondContact O-N 3.37Å
121E79.4Confident89.9Confident135 Ų13551 Ų5163%0.63126%0.264SS*.THydrogen-bonded Turntrans-60.6109.5168-169.8178.9176.700108.6S514E121-S514 PolarHBondContact OE1-OG 3.32Å
122G88.1Confident89.9Confident11 Ų1144.8 Ų44.811%0.11324%0.241CC..THydrogen-bonded Turntrans118.7-11.4-17500000114.3Y40 M120 F124Y40-G122 VanDerWaalsContact CE1-O 3.24Å; Y40-G122 WeakPolarHBondContact CE1-O 3.28Å; Y40-G122 PolarHBondContact OH-O 3.49Å; M120-G122 PolarHBondContact O-N 2.82Å; G122-F124 WeakPolarHBondContact O-CD1 3.2Å
123D94.2Very high90Very high3 Ų340.9 Ų40.92%0.01622%0.217CC..  trans-65.5132.5171.4-72.6-6.5000110.2R8 A10 I11 F114 C119 M120 I143 R144R8-D123 IonicContact CZ-OD2 3.71Å; R8-D123 IonicContact NH2-OD2 3.08Å; R8-D123 PolarHBondContact NH2-OD2 3.43Å; A10-D123 VanDerWaalsContact CA-OD1 3.25Å; A10-D123 WeakPolarHBondContact CA-OD1 3.49Å; I11-D123 PolarHBondContact N-OD1 3.43Å; I11-D123 WeakPolarHBondContact O-CA 2.91Å; F114-D123 HydrophobicContact CD1-CB 4.39Å; F114-D123 HydrophobicContact CE1-CB 4.07Å; C119-D123 HydrophobicContact CB-CB 4.22Å; M120-D123 PolarHBondContact N-OD2 2.79Å; M120-D123 WeakPolarHBondContact O-CB 3.48Å; M120-D123 PolarHBondContact O-N 3.37Å; D123-I143 HydrophobicContact CB-CB 4.45Å; D123-I143 HydrophobicContact CB-CG2 3.64Å; D123-R144 PolarHBondContact O-N 2.88Å
124F96.7Very high90.1Very high1 Ų139.7 Ų39.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-150161.1178.171.1-85.7000113I11 A12 L13 F33 Y40 G122 V126 R144 L506 V510I11-F124 PolarHBondContact O-N 3.18Å; A12-F124 HydrophobicContact CB-CD1 4.32Å; A12-F124 HydrophobicContact CB-CE1 3.58Å; A12-F124 HydrophobicContact CB-CE2 4.09Å; A12-F124 HydrophobicContact CB-CZ 3.44Å; A12-F124 VanDerWaalsContact CB-CZ 3.44Å; L13-F124 PolarHBondContact N-O 3.32Å; F33-F124 HydrophobicContact CE1-CE1 4.39Å; F33-F124 HydrophobicContact CE1-CZ 4.04Å; F33-F124 HydrophobicContact CE2-CZ 4.01Å; F33-F124 AromaticContact CZ-CE1 3.87Å; F33-F124 HydrophobicContact CZ-CE1 3.87Å; F33-F124 AromaticContact CZ-CZ 3.58Å; F33-F124 HydrophobicContact CZ-CZ 3.58Å; Y40-F124 HydrophobicContact CD1-CE1 4.18Å; Y40-F124 AromaticContact CE1-CD1 3.93Å; Y40-F124 HydrophobicContact CE1-CD1 3.93Å; Y40-F124 AromaticContact CE1-CE1 3.57Å; Y40-F124 HydrophobicContact CE1-CE1 3.57Å; Y40-F124 AromaticContact CZ-CE1 3.95Å; G122-F124 WeakPolarHBondContact O-CD1 3.2Å; F124-V126 HydrophobicContact CD2-CG2 3.81Å; F124-V126 HydrophobicContact CE2-CG2 3.5Å; F124-V126 VanDerWaalsContact CE2-CG2 3.5Å; F124-R144 CarbonylContact C-O 3.54Å; F124-R144 VanDerWaalsContact CA-O 3.28Å; F124-R144 WeakPolarHBondContact CA-O 3.33Å; F124-R144 HydrophobicContact CB-CB 4.05Å; F124-R144 WeakPolarHBondContact CB-O 3.28Å; F124-L506 HydrophobicContact CE2-CD2 4.43Å; F124-V510 HydrophobicContact CB-CG1 3.99Å; F124-V510 HydrophobicContact CD1-CG1 3.85Å; F124-V510 HydrophobicContact CD2-CG1 4.16Å; F124-V510 HydrophobicContact CE1-CG1 4.34Å; F124-V510 HydrophobicContact CG-CG1 3.75Å
125V98.1Very high90.3Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-119.9138.7169.4640000110.9L13 M15 F110 I127 A138 I143 R144 C145 V146L13-V125 HydrophobicContact CB-CB 4.23Å; L13-V125 HydrophobicContact CB-CG2 4.07Å; L13-V125 HydrophobicContact CD2-CB 4.5Å; L13-V125 HydrophobicContact CD2-CG2 3.93Å; L13-V125 HydrophobicContact CG-CG2 3.88Å; L13-V125 CarbonylContact O-C 3.5Å; L13-V125 WeakPolarHBondContact O-CA 3.46Å; L13-V125 WeakPolarHBondContact O-CG2 3.41Å; M15-V125 HydrophobicContact CB-CG2 3.98Å; F110-V125 HydrophobicContact CZ-CG2 4.14Å; V125-I127 HydrophobicContact CG1-CG2 4.4Å; V125-I127 HydrophobicContact CG2-CG2 3.81Å; V125-A138 HydrophobicContact CG1-CB 3.76Å; V125-I143 HydrophobicContact CB-CD1 4.2Å; V125-I143 HydrophobicContact CG1-CD1 4.17Å; V125-R144 PolarHBondContact N-O 3.02Å; V125-C145 HydrophobicContact CG1-CB 4.14Å; V125-C145 CarbonylContact O-C 3.48Å; V125-C145 WeakPolarHBondContact O-CA 2.92Å; V125-V146 PolarHBondContact O-N 2.89Å
126V98.6Very high90.8Very high1 Ų139.6 Ų39.61%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-106.6120.8167.9-172.60000108L13 F14 M15 F124 V146 A148 L506L13-V126 PolarHBondContact O-N 2.91Å; F14-V126 CarbonylContact C-O 3.5Å; F14-V126 HydrophobicContact CD1-CB 3.76Å; F14-V126 HydrophobicContact CD1-CG1 4.16Å; F14-V126 HydrophobicContact CD1-CG2 3.95Å; F14-V126 HydrophobicContact CE1-CB 4Å; F14-V126 HydrophobicContact CE1-CG1 4.28Å; F14-V126 HydrophobicContact CE1-CG2 3.71Å; F14-V126 HydrophobicContact CG-CB 4.32Å; F14-V126 HydrophobicContact CG-CG2 4.49Å; F14-V126 HydrophobicContact CZ-CG2 4.05Å; M15-V126 PolarHBondContact N-O 3.11Å; F124-V126 HydrophobicContact CD2-CG2 3.81Å; F124-V126 HydrophobicContact CE2-CG2 3.5Å; F124-V126 VanDerWaalsContact CE2-CG2 3.5Å; V126-V146 CarbonylContact C-O 3.57Å; V126-V146 VanDerWaalsContact CA-O 3.29Å; V126-V146 WeakPolarHBondContact CA-O 3.31Å; V126-V146 HydrophobicContact CG1-CB 4.49Å; V126-V146 HydrophobicContact CG1-CG1 4.43Å; V126-V146 HydrophobicContact CG2-CB 4.26Å; V126-A148 HydrophobicContact CG1-CB 3.46Å; V126-A148 VanDerWaalsContact CG1-CB 3.46Å; V126-L506 HydrophobicContact CG2-CD2 4.22Å
127I98.1Very high91.8Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-113.4146.8179.866.1173.1000111.4M15 V125 A131 L132 W135 V146 V147 A148M15-I127 HydrophobicContact CB-CG2 4.28Å; M15-I127 VanDerWaalsContact O-CA 3.32Å; M15-I127 WeakPolarHBondContact O-CA 3.09Å; M15-I127 HydrophobicContact SD-CG2 4.4Å; V125-I127 HydrophobicContact CG1-CG2 4.4Å; V125-I127 HydrophobicContact CG2-CG2 3.81Å; I127-A131 HydrophobicContact CB-CB 4.29Å; I127-L132 HydrophobicContact CD1-CD2 4.28Å; I127-W135 HydrophobicContact CD1-CB 4.17Å; I127-V146 PolarHBondContact N-O 3.11Å; I127-V147 HydrophobicContact CD1-CG2 4.39Å; I127-V147 HydrophobicContact CG1-CG2 4.12Å; I127-V147 CarbonylContact O-C 3.58Å; I127-V147 VanDerWaalsContact O-CA 3.32Å; I127-V147 WeakPolarHBondContact O-CA 3.42Å; I127-A148 PolarHBondContact O-N 3.36Å
128N97Very high92.9Very high0 Ų024.1 Ų24.10%013%0.129CC..  trans-90.7172.8159.673.3-3.1000111.2M15 F17 D22 L26 F130 A131 A148M15-N128 PolarHBondContact O-N 3.33Å; F17-N128 PolarHBondContact N-OD1 3.28Å; F17-N128 PolarHBondContact O-ND2 3.21Å; D22-N128 PolarHBondContact O-ND2 2.96Å; L26-N128 HydrophobicContact CD2-CB 3.87Å; N128-F130 PolarHBondContact O-N 3.49Å; N128-F130 VanDerWaalsContact O-N 3.09Å; N128-F130 PolarHBondContact OD1-N 3.23Å; N128-A131 PolarHBondContact O-N 2.98Å; N128-A131 WeakPolarHBondContact OD1-CB 3.24Å; N128-A131 PolarHBondContact OD1-N 2.89Å; N128-A148 VanDerWaalsContact CA-O 3.25Å; N128-A148 WeakPolarHBondContact CA-O 3.35Å; N128-A148 VanDerWaalsContact CB-O 3.29Å; N128-A148 WeakPolarHBondContact CB-O 3.26Å
129F94.1Very high93.7Very high5 Ų521.8 Ų21.82%0.02211%0.108CC..THydrogen-bonded Turntrans-67.9-7.6-178.4-68.3-56.8000114.7V147 A149 Y151 V153 W192 V235 Y237F129-V147 HydrophobicContact CD1-CG1 3.99Å; F129-V147 HydrophobicContact CE1-CG1 3.45Å; F129-V147 VanDerWaalsContact CE1-CG1 3.45Å; F129-V147 HydrophobicContact CE2-CG1 4.37Å; F129-V147 HydrophobicContact CZ-CG1 3.69Å; F129-A149 HydrophobicContact CD2-CB 3.59Å; F129-A149 HydrophobicContact CE2-CB 3.41Å; F129-A149 VanDerWaalsContact CE2-CB 3.41Å; F129-A149 HydrophobicContact CZ-CB 4.45Å; F129-Y151 HydrophobicContact CB-CE2 4.28Å; F129-Y151 AromaticContact CD2-CE2 3.78Å; F129-Y151 HydrophobicContact CD2-CE2 3.78Å; F129-Y151 PolarHBondContact N-OH 3.1Å; F129-V153 HydrophobicContact CE2-CG2 3.86Å; F129-V153 HydrophobicContact CZ-CG2 4.03Å; F129-W192 HydrophobicContact CD1-CE3 4.29Å; F129-W192 HydrophobicContact CE1-CB 3.57Å; F129-W192 AromaticContact CE1-CD2 3.98Å; F129-W192 HydrophobicContact CE1-CD2 3.98Å; F129-W192 AromaticContact CE1-CE3 3.77Å; F129-W192 HydrophobicContact CE1-CE3 3.77Å; F129-W192 AromaticContact CE1-CG 3.96Å; F129-W192 HydrophobicContact CE1-CG 3.96Å; F129-W192 HydrophobicContact CZ-CB 3.86Å; F129-W192 HydrophobicContact CZ-CG 4.4Å; F129-V235 HydrophobicContact CZ-CG1 4.49Å; F129-Y237 HydrophobicContact CE2-CE1 4.02Å; F129-Y237 HydrophobicContact CZ-CE1 4.48Å
130F93.5Very high94.4Very high73 Ų7322.7 Ų22.732%0.3211%0.112SC..THydrogen-bonded Turntrans-94.3-5171.8-62.1-70.2000112.9F17 D22 N128 Y151 L428F17-F130 HydrophobicContact CB-CB 4.11Å; F17-F130 WeakPolarHBondContact O-CB 3Å; D22-F130 HydrophobicContact CB-CD2 4.02Å; D22-F130 HydrophobicContact CB-CE2 4.16Å; D22-F130 WeakPolarHBondContact OD1-CE2 3.35Å; N128-F130 PolarHBondContact O-N 3.49Å; N128-F130 VanDerWaalsContact O-N 3.09Å; N128-F130 PolarHBondContact OD1-N 3.23Å; F130-Y151 HydrophobicContact CD2-CE1 4.31Å; F130-Y151 AromaticContact CD2-CZ 3.9Å; F130-Y151 WeakPolarHBondContact CD2-OH 3.27Å; F130-Y151 AromaticContact CE2-CE1 3.85Å; F130-Y151 HydrophobicContact CE2-CE1 3.85Å; F130-Y151 HydrophobicContact CE2-CE2 4.26Å; F130-Y151 AromaticContact CE2-CZ 3.51Å; F130-Y151 WeakPolarHBondContact CE2-OH 3.25Å; F130-L428 HydrophobicContact CE1-CD1 4.5Å; F130-L428 HydrophobicContact CZ-CD1 4.04Å
131A96.4Very high95Very high0 Ų020.6 Ų20.60%010%0.101CC..  trans-118.340.6-178.400000112.1M15 F17 I127 N128 E133 G134M15-A131 HydrophobicContact CE-CB 4.36Å; M15-A131 HydrophobicContact CG-CB 3.93Å; M15-A131 WeakPolarHBondContact O-CB 3.48Å; M15-A131 HydrophobicContact SD-CB 4.38Å; F17-A131 HydrophobicContact CD2-CB 3.62Å; F17-A131 HydrophobicContact CE2-CB 4.15Å; F17-A131 HydrophobicContact CG-CB 4.37Å; I127-A131 HydrophobicContact CB-CB 4.29Å; N128-A131 PolarHBondContact O-N 2.98Å; N128-A131 WeakPolarHBondContact OD1-CB 3.24Å; N128-A131 PolarHBondContact OD1-N 2.89Å; A131-E133 PolarHBondContact O-N 3.38Å; A131-E133 VanDerWaalsContact O-N 3.13Å; A131-G134 PolarHBondContact O-N 2.84Å
132L95.6Very high95.6Very high8 Ų822.6 Ų22.64%0.04211%0.11CC..THydrogen-bonded Turntrans-63.2-17.4-178.1-70.1-179.1000113.3I127 G134 W135 W192 P195 L196 W201I127-L132 HydrophobicContact CD1-CD2 4.28Å; L132-G134 PolarHBondContact O-N 3.11Å; L132-W135 WeakPolarHBondContact O-CB 3.4Å; L132-W135 PolarHBondContact O-N 3.35Å; L132-W192 HydrophobicContact CD2-CE3 4.4Å; L132-W192 HydrophobicContact CD2-CZ3 3.91Å; L132-P195 HydrophobicContact CD1-CB 3.91Å; L132-P195 HydrophobicContact CD1-CG 4.29Å; L132-L196 HydrophobicContact CB-CD2 4.15Å; L132-L196 HydrophobicContact CD1-CD2 4.44Å; L132-L196 HydrophobicContact CD2-CD2 4.42Å; L132-W201 HydrophobicContact CB-CH2 3.5Å; L132-W201 VanDerWaalsContact CB-CH2 3.5Å; L132-W201 HydrophobicContact CB-CZ2 3.5Å; L132-W201 HydrophobicContact CB-CZ3 4.26Å; L132-W201 HydrophobicContact CD1-CZ2 4.21Å; L132-W201 HydrophobicContact CG-CZ2 4.46Å
133E97Very high95.9Very high13 Ų1323 Ų236%0.06111%0.109CC..Hα-helixtrans-51.2-39.3167.8-69.377.3-170.600111.3M15 H102 R103 A131 W135 S136 L137 W201 W204M15-E133 HydrophobicContact CE-CB 3.8Å; H102-E133 IonicContact CD2-OE1 2.69Å; R103-E133 HydrophobicContact CG-CG 3.76Å; R103-E133 IonicContact NE-OE1 2.77Å; A131-E133 PolarHBondContact O-N 3.38Å; A131-E133 VanDerWaalsContact O-N 3.13Å; E133-W135 PolarHBondContact O-N 2.85Å; E133-S136 PolarHBondContact O-N 3.2Å; E133-L137 HydrophobicContact CB-CD1 4.36Å; E133-L137 WeakPolarHBondContact O-CB 3.42Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.44Å; E133-L137 PolarHBondContact O-N 2.92Å; E133-W201 HydrophobicContact CB-CZ3 4.43Å; E133-W201 HydrophobicContact CG-CH2 3.98Å; E133-W201 HydrophobicContact CG-CZ3 4.01Å; E133-W201 VanDerWaalsContact N-CH2 3.31Å; E133-W201 WeakPolarHBondContact OE1-CH2 3.44Å; E133-W204 HydrophobicContact CB-CH2 3.94Å; E133-W204 HydrophobicContact CB-CZ3 4.46Å; E133-W204 HydrophobicContact CG-CH2 4.04Å; E133-W204 HydrophobicContact CG-CZ3 4.44Å
134G97.7Very high95.8Very high0 Ų027.8 Ų27.80%013%0.127CC..Hα-helixtrans-63.8-21-179.700000113.6M15 A131 L132 A138M15-G134 VanDerWaalsContact SD-CA 3.57Å; A131-G134 PolarHBondContact O-N 2.84Å; L132-G134 PolarHBondContact O-N 3.11Å; G134-A138 WeakPolarHBondContact O-CB 3.09Å; G134-A138 PolarHBondContact O-N 3.5Å
135W97.3Very high95.8Very high27 Ų2728.6 Ų28.610%0.10213%0.133CC..Hα-helixtrans-67.1-55172.6179.6-89.7000111.5I127 L132 E133 L137 A138 E139 C145 W192 M193 L196 F216 P233I127-W135 HydrophobicContact CD1-CB 4.17Å; L132-W135 WeakPolarHBondContact O-CB 3.4Å; L132-W135 PolarHBondContact O-N 3.35Å; E133-W135 PolarHBondContact O-N 2.85Å; W135-L137 VanDerWaalsContact C-N 3.32Å; W135-L137 PolarHBondContact O-N 3.45Å; W135-A138 WeakPolarHBondContact O-CB 3.26Å; W135-A138 PolarHBondContact O-N 2.91Å; W135-E139 PolarHBondContact O-N 2.96Å; W135-C145 HydrophobicContact CE3-CB 3.77Å; W135-C145 HydrophobicContact CZ3-CB 3.98Å; W135-W192 HydrophobicContact CD2-CH2 4.18Å; W135-W192 AromaticContact CE3-CH2 3.58Å; W135-W192 HydrophobicContact CE3-CH2 3.58Å; W135-W192 HydrophobicContact CE3-CZ2 4.21Å; W135-W192 AromaticContact CZ3-CH2 3.79Å; W135-W192 HydrophobicContact CZ3-CH2 3.79Å; W135-W192 AromaticContact CZ3-CZ2 3.92Å; W135-W192 HydrophobicContact CZ3-CZ2 3.92Å; W135-M193 HydrophobicContact CH2-CE 3.81Å; W135-M193 HydrophobicContact CZ2-CE 3.43Å; W135-M193 VanDerWaalsContact CZ2-CE 3.43Å; W135-M193 HydrophobicContact CZ3-CE 4.5Å; W135-L196 HydrophobicContact CB-CD1 4.29Å; W135-L196 HydrophobicContact CB-CD2 4.25Å; W135-L196 HydrophobicContact CD2-CD1 3.98Å; W135-L196 HydrophobicContact CG-CD1 3.67Å; W135-L196 HydrophobicContact CG-CD2 4.36Å; W135-F216 HydrophobicContact CZ2-CE1 4.14Å; W135-F216 AromaticContact CZ2-CZ 3.85Å; W135-F216 HydrophobicContact CZ2-CZ 3.85Å; W135-P233 HydrophobicContact CH2-CB 3.89Å; W135-P233 HydrophobicContact CH2-CG 3.82Å; W135-P233 HydrophobicContact CZ3-CB 3.66Å; W135-P233 HydrophobicContact CZ3-CG 3.9Å
136S97.2Very high95.8Very high0 Ų028.8 Ų28.80%013%0.134CC..Hα-helixtrans-66.6-36.4179.7-610000111.4E133 E139 V140 R205E133-S136 PolarHBondContact O-N 3.2Å; S136-E139 WeakPolarHBondContact O-CB 3.28Å; S136-E139 PolarHBondContact O-N 3.49Å; S136-V140 WeakPolarHBondContact O-CG2 3.45Å; S136-V140 PolarHBondContact O-N 3.42Å; S136-V140 VanDerWaalsContact O-N 3.1Å; S136-R205 WeakPolarHBondContact OG-CD 3.33Å; S136-R205 WeakPolarHBondContact OG-CG 3.2Å; S136-R205 PolarHBondContact OG-NH1 3.19Å
137L97.1Very high95.8Very high0 Ų028.7 Ų28.70%013%0.134CC..Hα-helixtrans-67.4-37174.4-65.9171.7000111.6C106 H107 F110 E133 W135 E139 V140 F141 W204 L209C106-L137 HydrophobicContact CB-CD1 3.93Å; H107-L137 HydrophobicContact CB-CD2 4.03Å; F110-L137 HydrophobicContact CD1-CB 3.69Å; F110-L137 HydrophobicContact CD2-CB 4.3Å; F110-L137 HydrophobicContact CD2-CD1 3.66Å; F110-L137 HydrophobicContact CE1-CB 3.51Å; F110-L137 HydrophobicContact CE2-CB 4.15Å; F110-L137 HydrophobicContact CE2-CD1 3.7Å; F110-L137 HydrophobicContact CG-CB 4.07Å; F110-L137 HydrophobicContact CG-CD1 4.08Å; F110-L137 HydrophobicContact CZ-CB 3.75Å; F110-L137 HydrophobicContact CZ-CD1 4.15Å; E133-L137 HydrophobicContact CB-CD1 4.36Å; E133-L137 WeakPolarHBondContact O-CB 3.42Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.44Å; E133-L137 PolarHBondContact O-N 2.92Å; W135-L137 VanDerWaalsContact C-N 3.32Å; W135-L137 PolarHBondContact O-N 3.45Å; L137-E139 PolarHBondContact O-N 3.35Å; L137-V140 PolarHBondContact O-N 3.36Å; L137-F141 VanDerWaalsContact O-CD2 3.27Å; L137-F141 WeakPolarHBondContact O-CD2 3.21Å; L137-F141 PolarHBondContact O-N 3.09Å; L137-W204 HydrophobicContact CG-CH2 4.24Å; L137-L209 HydrophobicContact CD2-CD1 4.46Å; L137-L209 HydrophobicContact CD2-CD2 4.1Å
138A96.1Very high95.7Very high3 Ų328.8 Ų28.83%0.02513%0.134CC..Hα-helixtrans-59.9-35.9173.200000112.3V125 G134 W135 F141 Q142 I143 C145V125-A138 HydrophobicContact CG1-CB 3.76Å; G134-A138 WeakPolarHBondContact O-CB 3.09Å; G134-A138 PolarHBondContact O-N 3.5Å; W135-A138 WeakPolarHBondContact O-CB 3.26Å; W135-A138 PolarHBondContact O-N 2.91Å; A138-F141 CarbonylContact O-C 3.57Å; A138-Q142 WeakPolarHBondContact O-CA 3.18Å; A138-Q142 PolarHBondContact O-N 3.47Å; A138-I143 HydrophobicContact CB-CG1 3.86Å; A138-I143 PolarHBondContact O-N 3Å; A138-C145 HydrophobicContact CB-CB 3.78Å
139E94.7Very high95.7Very high70 Ų7028.8 Ų28.833%0.32713%0.134SC..Hα-helixtrans-66.1-46.1174.5-171.3179.8156.300112W135 S136 L137 F141 Q142 R205 L211W135-E139 PolarHBondContact O-N 2.96Å; S136-E139 WeakPolarHBondContact O-CB 3.28Å; S136-E139 PolarHBondContact O-N 3.49Å; L137-E139 PolarHBondContact O-N 3.35Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 3Å; E139-Q142 PolarHBondContact O-N 3.43Å; E139-R205 VanDerWaalsContact CD-NH2 3.29Å; E139-R205 IonicContact OE1-NH2 2.83Å; E139-R205 PolarHBondContact OE1-NH2 2.97Å; E139-R205 IonicContact OE2-CZ 2.68Å; E139-R205 VanDerWaalsContact OE2-CZ 3.26Å; E139-R205 IonicContact OE2-NH1 2.83Å; E139-R205 PolarHBondContact OE2-NH1 2.79Å; E139-R205 IonicContact OE2-NH2 3.82Å; E139-R205 PolarHBondContact OE2-NH2 3.44Å; E139-L211 HydrophobicContact CB-CD1 4.21Å; E139-L211 HydrophobicContact CG-CD1 4.22Å; E139-L211 HydrophobicContact CG-CD2 4.27Å
140V94.2Very high95.7Very high53 Ų5328.8 Ų28.832%0.32114%0.135SC..Hα-helixtrans-57.2-45175.5174.40000111.3S136 L137 Q142 L209 L211S136-V140 WeakPolarHBondContact O-CG2 3.45Å; S136-V140 PolarHBondContact O-N 3.42Å; S136-V140 VanDerWaalsContact O-N 3.1Å; L137-V140 PolarHBondContact O-N 3.36Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-L209 HydrophobicContact CG2-CB 4.02Å; V140-L209 HydrophobicContact CG2-CD1 4.2Å; V140-L209 HydrophobicContact CG2-CD2 4.43Å; V140-L209 HydrophobicContact CG2-CG 4.46Å; V140-L211 HydrophobicContact CG2-CD1 3.77Å; V140-L211 HydrophobicContact CG2-CD2 4.29Å; V140-L211 HydrophobicContact CG2-CG 4.1Å
141F93.9Very high95.6Very high29 Ų2925.5 Ų25.513%0.12712%0.12CC..THydrogen-bonded Turntrans-88.41-177-74.1-98.4000113.4F110 R111 F114 C119 L137 A138 E139 I143F110-F141 HydrophobicContact CB-CD2 4.18Å; F110-F141 HydrophobicContact CB-CE1 4.37Å; F110-F141 HydrophobicContact CB-CE2 3.57Å; F110-F141 HydrophobicContact CB-CZ 3.67Å; F110-F141 AromaticContact CD1-CD2 3.83Å; F110-F141 HydrophobicContact CD1-CD2 3.83Å; F110-F141 HydrophobicContact CD1-CE2 4.09Å; F110-F141 HydrophobicContact CD1-CG 4.27Å; F110-F141 HydrophobicContact CG-CD2 4.46Å; F110-F141 HydrophobicContact CG-CE2 4.27Å; R111-F141 HydrophobicContact CB-CZ 4.46Å; R111-F141 HydrophobicContact CG-CZ 3.78Å; F114-F141 HydrophobicContact CB-CD1 3.89Å; F114-F141 HydrophobicContact CB-CE1 4.18Å; F114-F141 HydrophobicContact CD2-CD1 4.47Å; F114-F141 HydrophobicContact CG-CD1 4.45Å; C119-F141 PolarHBondContact SG-O 3.18Å; L137-F141 VanDerWaalsContact O-CD2 3.27Å; L137-F141 WeakPolarHBondContact O-CD2 3.21Å; L137-F141 PolarHBondContact O-N 3.09Å; A138-F141 CarbonylContact O-C 3.57Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 3Å; F141-I143 VanDerWaalsContact C-N 3.26Å; F141-I143 HydrophobicContact CB-CG1 4.32Å; F141-I143 HydrophobicContact CB-CG2 4.48Å; F141-I143 PolarHBondContact O-N 2.95Å
142Q92.2Very high95.2Very high178 Ų17826.4 Ų26.483%0.83213%0.126SC*.THydrogen-bonded Turntrans5339.1179.8-57-175.4-2700114A138 E139 V140A138-Q142 WeakPolarHBondContact O-CA 3.18Å; A138-Q142 PolarHBondContact O-N 3.47Å; E139-Q142 PolarHBondContact O-N 3.43Å; V140-Q142 VanDerWaalsContact C-N 3.32Å
143I93.3Very high94.5Very high18 Ų1827.3 Ų27.39%0.09213%0.132CC..  trans-108.1161.6177.660174.1000111.1F110 F114 C119 D123 V125 A138 F141F110-I143 HydrophobicContact CE1-CD1 4.21Å; F114-I143 HydrophobicContact CD1-CD1 4.49Å; F114-I143 HydrophobicContact CD2-CD1 4.33Å; F114-I143 HydrophobicContact CE1-CD1 3.79Å; F114-I143 HydrophobicContact CE1-CG2 4.42Å; F114-I143 HydrophobicContact CE2-CD1 3.6Å; F114-I143 HydrophobicContact CZ-CD1 3.3Å; C119-I143 HydrophobicContact CB-CG2 3.51Å; C119-I143 VanDerWaalsContact SG-CG2 3.6Å; D123-I143 HydrophobicContact CB-CB 4.45Å; D123-I143 HydrophobicContact CB-CG2 3.64Å; V125-I143 HydrophobicContact CB-CD1 4.2Å; V125-I143 HydrophobicContact CG1-CD1 4.17Å; A138-I143 HydrophobicContact CB-CG1 3.86Å; A138-I143 PolarHBondContact O-N 3Å; F141-I143 VanDerWaalsContact C-N 3.26Å; F141-I143 HydrophobicContact CB-CG1 4.32Å; F141-I143 HydrophobicContact CB-CG2 4.48Å; F141-I143 PolarHBondContact O-N 2.95Å
144R94Very high93Very high104 Ų10428.1 Ų28.139%0.39214%0.138SC..EExtended strand (participates in β ladder)trans-73.1141.7176.4-60-171.4-152166.714.2110.4D123 F124 V125 V510D123-R144 PolarHBondContact O-N 2.88Å; F124-R144 CarbonylContact C-O 3.54Å; F124-R144 VanDerWaalsContact CA-O 3.28Å; F124-R144 WeakPolarHBondContact CA-O 3.33Å; F124-R144 HydrophobicContact CB-CB 4.05Å; F124-R144 WeakPolarHBondContact CB-O 3.28Å; V125-R144 PolarHBondContact N-O 3.02Å; R144-V510 PolarHBondContact NH1-O 3.37Å
145C96.7Very high91.9Very high18 Ų1831.1 Ų31.112%0.12215%0.15CC..EExtended strand (participates in β ladder)trans-112.6128.4172.4-168.10000110V125 W135 A138V125-C145 HydrophobicContact CG1-CB 4.14Å; V125-C145 CarbonylContact O-C 3.48Å; V125-C145 WeakPolarHBondContact O-CA 2.92Å; W135-C145 HydrophobicContact CE3-CB 3.77Å; W135-C145 HydrophobicContact CZ3-CB 3.98Å; A138-C145 HydrophobicContact CB-CB 3.78Å
146V97.8Very high91.2Very high4 Ų434.7 Ų34.72%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-114.5141.2173.2179.10000107.8V125 V126 I127 L234 L236 L506 V510V125-V146 PolarHBondContact O-N 2.89Å; V126-V146 CarbonylContact C-O 3.57Å; V126-V146 VanDerWaalsContact CA-O 3.29Å; V126-V146 WeakPolarHBondContact CA-O 3.31Å; V126-V146 HydrophobicContact CG1-CB 4.49Å; V126-V146 HydrophobicContact CG1-CG1 4.43Å; V126-V146 HydrophobicContact CG2-CB 4.26Å; I127-V146 PolarHBondContact N-O 3.11Å; V146-L234 HydrophobicContact CG1-CB 4.06Å; V146-L234 HydrophobicContact CG1-CD2 3.94Å; V146-L234 HydrophobicContact CG1-CG 3.95Å; V146-L234 HydrophobicContact CG2-CB 4.38Å; V146-L234 HydrophobicContact CG2-CD2 4.34Å; V146-L236 HydrophobicContact CG1-CD1 4.32Å; V146-L236 HydrophobicContact CG1-CG 4.26Å; V146-L506 HydrophobicContact CB-CD2 4.46Å; V146-L506 HydrophobicContact CG1-CD2 3.93Å; V146-L506 HydrophobicContact CG2-CD2 4.26Å; V146-V510 HydrophobicContact CG2-CG1 4.49Å; V146-V510 HydrophobicContact CG2-CG2 3.71Å
147V97.2Very high90.8Very high0 Ų036.2 Ų36.20%019%0.189CC..EExtended strand (participates in β ladder)trans-100.6136.4173.4-176.70000109.3I127 F129 W192 L234 V235 L236I127-V147 HydrophobicContact CD1-CG2 4.39Å; I127-V147 HydrophobicContact CG1-CG2 4.12Å; I127-V147 CarbonylContact O-C 3.58Å; I127-V147 VanDerWaalsContact O-CA 3.32Å; I127-V147 WeakPolarHBondContact O-CA 3.42Å; F129-V147 HydrophobicContact CD1-CG1 3.99Å; F129-V147 HydrophobicContact CE1-CG1 3.45Å; F129-V147 VanDerWaalsContact CE1-CG1 3.45Å; F129-V147 HydrophobicContact CE2-CG1 4.37Å; F129-V147 HydrophobicContact CZ-CG1 3.69Å; V147-W192 HydrophobicContact CG2-CD2 4.31Å; V147-W192 HydrophobicContact CG2-CE3 4.26Å; V147-W192 HydrophobicContact CG2-CH2 3.51Å; V147-W192 HydrophobicContact CG2-CZ2 3.52Å; V147-W192 HydrophobicContact CG2-CZ3 3.9Å; V147-L234 PolarHBondContact N-O 2.98Å; V147-V235 HydrophobicContact CB-CB 4.47Å; V147-V235 HydrophobicContact CB-CG1 4.25Å; V147-V235 HydrophobicContact CB-CG2 4.2Å; V147-V235 HydrophobicContact CG1-CG1 4.26Å; V147-V235 CarbonylContact O-C 3.25Å; V147-V235 WeakPolarHBondContact O-CA 3.29Å; V147-L236 PolarHBondContact O-N 3.1Å
148A97.7Very high90.5Very high1 Ų139.8 Ų39.81%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-135.7121.6176.200000110.3L26 V126 I127 N128 L236 W260L26-A148 HydrophobicContact CD1-CB 4.28Å; L26-A148 HydrophobicContact CD2-CB 4.25Å; L26-A148 HydrophobicContact CG-CB 4.2Å; V126-A148 HydrophobicContact CG1-CB 3.46Å; V126-A148 VanDerWaalsContact CG1-CB 3.46Å; I127-A148 PolarHBondContact O-N 3.36Å; N128-A148 VanDerWaalsContact CA-O 3.25Å; N128-A148 WeakPolarHBondContact CA-O 3.35Å; N128-A148 VanDerWaalsContact CB-O 3.29Å; N128-A148 WeakPolarHBondContact CB-O 3.26Å; A148-L236 CarbonylContact C-O 3.53Å; A148-L236 WeakPolarHBondContact CA-O 3.14Å; A148-L236 HydrophobicContact CB-CB 4.31Å; A148-W260 HydrophobicContact CB-CH2 3.73Å; A148-W260 HydrophobicContact CB-CZ3 4.12Å
149A95.6Very high90.4Very high0 Ų046.3 Ų46.30%026%0.257CS..EExtended strand (participates in β ladder)trans-127.5116.2-17800000111.3F129 Y151 L236 Y237 G238F129-A149 HydrophobicContact CD2-CB 3.59Å; F129-A149 HydrophobicContact CE2-CB 3.41Å; F129-A149 VanDerWaalsContact CE2-CB 3.41Å; F129-A149 HydrophobicContact CZ-CB 4.45Å; A149-Y151 HydrophobicContact CB-CD2 4.37Å; A149-Y151 HydrophobicContact CB-CE2 4.27Å; A149-Y151 PolarHBondContact O-N 2.83Å; A149-Y151 VanDerWaalsContact O-N 3.1Å; A149-L236 PolarHBondContact N-O 2.8Å; A149-Y237 HydrophobicContact CB-CD1 3.91Å; A149-Y237 HydrophobicContact CB-CE1 3.92Å; A149-Y237 WeakPolarHBondContact O-CA 3.15Å; A149-G238 PolarHBondContact O-N 3.31Å
150P94.6Very high90.3Very high5 Ų544.1 Ų44.13%0.03225%0.254CS..SBendtrans-75.212.7173.229.6-30.7000113.3G21 P25 L26 W260 S408G21-P150 WeakPolarHBondContact O-CG 3.47Å; P25-P150 HydrophobicContact CB-CB 3.63Å; P25-P150 HydrophobicContact CB-CG 4.02Å; P25-P150 HydrophobicContact CG-CB 3.73Å; P25-P150 HydrophobicContact CG-CG 4Å; L26-P150 HydrophobicContact CD1-CG 4.28Å; P150-W260 HydrophobicContact CB-CE3 3.74Å; P150-W260 HydrophobicContact CB-CZ3 4.04Å; P150-W260 HydrophobicContact CG-CE3 4.48Å; P150-W260 HydrophobicContact CG-CZ3 4.46Å; P150-S408 WeakPolarHBondContact O-CB 3.33Å; P150-S408 PolarHBondContact O-OG 3.02Å
151Y91.9Very high90.3Very high4 Ų442.8 Ų42.82%0.01624%0.243CC..SBendtrans-144161.8-175.145.4-98.6000109.8D22 F129 F130 A149 P154 D429D22-Y151 HydrophobicContact CB-CE1 4.22Å; D22-Y151 WeakPolarHBondContact OD1-CE1 3.48Å; F129-Y151 HydrophobicContact CB-CE2 4.28Å; F129-Y151 AromaticContact CD2-CE2 3.78Å; F129-Y151 HydrophobicContact CD2-CE2 3.78Å; F129-Y151 PolarHBondContact N-OH 3.1Å; F130-Y151 HydrophobicContact CD2-CE1 4.31Å; F130-Y151 AromaticContact CD2-CZ 3.9Å; F130-Y151 WeakPolarHBondContact CD2-OH 3.27Å; F130-Y151 AromaticContact CE2-CE1 3.85Å; F130-Y151 HydrophobicContact CE2-CE1 3.85Å; F130-Y151 HydrophobicContact CE2-CE2 4.26Å; F130-Y151 AromaticContact CE2-CZ 3.51Å; F130-Y151 WeakPolarHBondContact CE2-OH 3.25Å; A149-Y151 HydrophobicContact CB-CD2 4.37Å; A149-Y151 HydrophobicContact CB-CE2 4.27Å; A149-Y151 PolarHBondContact O-N 2.83Å; A149-Y151 VanDerWaalsContact O-N 3.1Å; Y151-P154 HydrophobicContact CD2-CG 4.47Å; Y151-P154 HydrophobicContact CE2-CG 4.32Å; Y151-D429 VanDerWaalsContact CB-OD2 3.28Å; Y151-D429 WeakPolarHBondContact CB-OD2 3.48Å
152V87.7Confident90.4Very high20 Ų2044.5 Ų44.512%0.12125%0.252CS..  trans-70.8142.9171.4177.50000108.8P154 F239 V244 Y432 W433V152-P154 VanDerWaalsContact O-CD 3.29Å; V152-P154 WeakPolarHBondContact O-CD 3.32Å; V152-F239 HydrophobicContact CB-CE1 4.34Å; V152-F239 HydrophobicContact CG2-CD1 3.73Å; V152-F239 HydrophobicContact CG2-CE1 3.62Å; V152-F239 HydrophobicContact CG2-CG 4.47Å; V152-F239 HydrophobicContact CG2-CZ 4.31Å; V152-V244 HydrophobicContact CG2-CG1 4.22Å; V152-V244 HydrophobicContact CG2-CG2 4.15Å; V152-Y432 HydrophobicContact CB-CD1 4.22Å; V152-Y432 HydrophobicContact CB-CE1 4.32Å; V152-Y432 HydrophobicContact CG1-CD1 4.42Å; V152-Y432 HydrophobicContact CG1-CE1 4.43Å; V152-Y432 HydrophobicContact CG2-CD1 4Å; V152-Y432 HydrophobicContact CG2-CE1 3.67Å; V152-W433 HydrophobicContact CG2-CH2 4.01Å; V152-W433 HydrophobicContact CG2-CZ2 3.75Å
153V81.7Confident90.6Very high27 Ų2745.7 Ų45.716%0.16425%0.249CC..  trans-50.6116.1179.2-169.40000109.1F129 Y155 Y237F129-V153 HydrophobicContact CE2-CG2 3.86Å; F129-V153 HydrophobicContact CZ-CG2 4.03Å; V153-Y155 HydrophobicContact CG1-CD2 4.31Å; V153-Y155 HydrophobicContact CG1-CE2 4.4Å; V153-Y155 VanDerWaalsContact CG1-O 3.31Å; V153-Y155 WeakPolarHBondContact CG1-O 3.47Å; V153-Y155 PolarHBondContact O-N 3Å; V153-Y155 VanDerWaalsContact O-N 3.13Å; V153-Y237 HydrophobicContact CG2-CE1 3.85Å; V153-Y237 WeakPolarHBondContact CG2-OH 3.39Å
154P65Low90.7Very high29 Ų2949.9 Ų49.919%0.18827%0.268CS..SBendtrans-79.20.6-168.325.3-26.8000112.9Y151 V152 L428 D429Y151-P154 HydrophobicContact CD2-CG 4.47Å; Y151-P154 HydrophobicContact CE2-CG 4.32Å; V152-P154 VanDerWaalsContact O-CD 3.29Å; V152-P154 WeakPolarHBondContact O-CD 3.32Å; P154-L428 HydrophobicContact CB-CB 3.89Å; P154-L428 HydrophobicContact CB-CD2 4.15Å; P154-L428 HydrophobicContact CB-CG 4.49Å; P154-D429 HydrophobicContact CB-CB 4.46Å
155Y73.6Confident90.8Very high64 Ų6445.2 Ų45.225%0.25125%0.251SS..  trans-151.4138.4-176.243.2-102.1000112.1V153 W194 P195V153-Y155 HydrophobicContact CG1-CD2 4.31Å; V153-Y155 HydrophobicContact CG1-CE2 4.4Å; V153-Y155 VanDerWaalsContact CG1-O 3.31Å; V153-Y155 WeakPolarHBondContact CG1-O 3.47Å; V153-Y155 PolarHBondContact O-N 3Å; V153-Y155 VanDerWaalsContact O-N 3.13Å; Y155-W194 AromaticContact CD2-CE2 3.75Å; Y155-W194 AromaticContact CD2-CZ2 3.46Å; Y155-W194 HydrophobicContact CD2-CZ2 3.46Å; Y155-W194 VanDerWaalsContact CD2-CZ2 3.46Å; Y155-W194 AromaticContact CD2-NE1 3.52Å; Y155-W194 HydrophobicContact CE2-CZ2 4.05Å; Y155-W194 AromaticContact CE2-NE1 3.97Å; Y155-W194 HydrophobicContact CG-CZ2 4.11Å; Y155-P195 HydrophobicContact CE2-CG 3.8Å
156S82.5Confident90.8Very high101 Ų10150.2 Ų50.271%0.70627%0.267SS*.PPolyproline II helixtrans-95.7156.5166.5-64.50000109.7
157P89.1Confident90.7Very high33 Ų3358.5 Ų58.521%0.21430%0.303CS..PPolyproline II helixtrans-53.4141171.321.1-32.3000110.4F161 T190 W194P157-F161 HydrophobicContact CB-CB 4.03Å; P157-F161 HydrophobicContact CB-CD1 3.83Å; P157-F161 HydrophobicContact CB-CG 4.05Å; P157-T190 VanDerWaalsContact CD-O 3.25Å; P157-T190 WeakPolarHBondContact CD-O 3.44Å; P157-W194 HydrophobicContact CB-CB 4.05Å; P157-W194 HydrophobicContact CB-CD2 4.18Å; P157-W194 HydrophobicContact CB-CG 3.76Å
158P92Very high90.6Very high75 Ų7563.6 Ų63.649%0.48733%0.327SS..PPolyproline II helixtrans-51.7146.3174.1-26.733.4000111.6G160 F161 W194P158-G160 PolarHBondContact O-N 2.77Å; P158-F161 HydrophobicContact CB-CB 4.41Å; P158-F161 WeakPolarHBondContact O-CB 3.37Å; P158-F161 PolarHBondContact O-N 2.63Å; P158-W194 HydrophobicContact CG-CZ3 4.37Å
159S92.4Very high90.4Very high139 Ų13964.8 Ų64.897%0.97233%0.333SS*.THydrogen-bonded Turntrans-57.1-26.5-175.257.30000114.4
160G93.4Very high90.4Very high25 Ų2568.1 Ų68.126%0.25835%0.354SS..THydrogen-bonded Turntrans-88-8.1175.500000115.4P158 E162 R163 Q164P158-G160 PolarHBondContact O-N 2.77Å; G160-E162 PolarHBondContact O-N 3.3Å; G160-R163 PolarHBondContact O-N 3.17Å; G160-Q164 PolarHBondContact O-N 3.41Å
161F94.9Very high90.5Very high24 Ų2471.6 Ų71.611%0.10537%0.373CS..Hα-helixtrans-58.3-52.5-169.5176.6-99.9000112.1P157 P158 R163 Q164 F165 W186 V189 W194 F197P157-F161 HydrophobicContact CB-CB 4.03Å; P157-F161 HydrophobicContact CB-CD1 3.83Å; P157-F161 HydrophobicContact CB-CG 4.05Å; P158-F161 HydrophobicContact CB-CB 4.41Å; P158-F161 WeakPolarHBondContact O-CB 3.37Å; P158-F161 PolarHBondContact O-N 2.63Å; F161-R163 VanDerWaalsContact C-N 3.3Å; F161-R163 PolarHBondContact O-N 2.71Å; F161-Q164 PolarHBondContact O-N 3.37Å; F161-Q164 VanDerWaalsContact O-N 3.16Å; F161-F165 HydrophobicContact CE1-CD2 4Å; F161-F165 HydrophobicContact CE2-CD2 4.26Å; F161-F165 AromaticContact CZ-CD2 3.6Å; F161-F165 HydrophobicContact CZ-CD2 3.6Å; F161-F165 HydrophobicContact CZ-CE2 4.23Å; F161-F165 WeakPolarHBondContact O-CB 3.49Å; F161-F165 PolarHBondContact O-N 3.04Å; F161-W186 HydrophobicContact CD1-CH2 4.36Å; F161-W186 AromaticContact CE1-CH2 3.9Å; F161-W186 HydrophobicContact CE1-CH2 3.9Å; F161-W186 HydrophobicContact CE1-CZ2 4.47Å; F161-V189 HydrophobicContact CE1-CG1 3.86Å; F161-V189 HydrophobicContact CZ-CG1 4.23Å; F161-W194 HydrophobicContact CD1-CB 4.2Å; F161-W194 HydrophobicContact CE1-CB 3.66Å; F161-W194 HydrophobicContact CE2-CB 4.17Å; F161-W194 HydrophobicContact CE2-CE3 4.49Å; F161-W194 HydrophobicContact CZ-CB 3.63Å; F161-F197 HydrophobicContact CE2-CB 4.5Å; F161-F197 HydrophobicContact CZ-CB 4.22Å
162E95.7Very high90.7Very high66 Ų6671.6 Ų71.631%0.30837%0.373SS..Hα-helixtrans-60-41.3-179.1178.8165.6171.500112.3G160 Q164 F165 R166 Y173 W186G160-E162 PolarHBondContact O-N 3.3Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-Q164 PolarHBondContact O-N 3.35Å; E162-F165 PolarHBondContact O-N 2.79Å; E162-R166 VanDerWaalsContact O-CB 3.32Å; E162-R166 WeakPolarHBondContact O-CB 3.24Å; E162-R166 PolarHBondContact O-N 3.43Å; E162-R166 IonicContact OE1-NH2 3.6Å; E162-R166 PolarHBondContact OE1-NH2 3.04Å; E162-Y173 HydrophobicContact CG-CE2 3.95Å; E162-Y173 PolarHBondContact OE1-OH 3.01Å; E162-W186 HydrophobicContact CB-CZ2 3.7Å; E162-W186 HydrophobicContact CG-CH2 4.38Å; E162-W186 HydrophobicContact CG-CZ2 3.51Å; E162-W186 PolarHBondContact OE2-NE1 3.44Å
163R96.3Very high91.1Very high202 Ų20271.8 Ų71.876%0.76237%0.371SS*.Hα-helixtrans-63.7-42.4179.2-175.1-176.670.4-173.31.1110.9G160 F161 K167G160-R163 PolarHBondContact O-N 3.17Å; F161-R163 VanDerWaalsContact C-N 3.3Å; F161-R163 PolarHBondContact O-N 2.71Å; R163-K167 WeakPolarHBondContact O-CB 3.32Å; R163-K167 PolarHBondContact O-N 3.45Å
164Q95.3Very high91.8Very high106 Ų10675.2 Ų75.250%0.49538%0.384SS..Hα-helixtrans-68.1-48.6178.3-174.9168.80.900111G160 F161 E162 R166 K167 E168G160-Q164 PolarHBondContact O-N 3.41Å; F161-Q164 PolarHBondContact O-N 3.37Å; F161-Q164 VanDerWaalsContact O-N 3.16Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-Q164 PolarHBondContact O-N 3.35Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-R166 PolarHBondContact O-N 3.46Å; Q164-K167 WeakPolarHBondContact O-CB 3.26Å; Q164-K167 PolarHBondContact O-N 3.49Å; Q164-E168 VanDerWaalsContact CG-CD 3.44Å; Q164-E168 HydrophobicContact CG-CG 4.32Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.3Å; Q164-E168 PolarHBondContact NE2-OE1 3.29Å; Q164-E168 PolarHBondContact O-N 3.37Å
165F95.9Very high93.3Very high6 Ų673.9 Ų73.93%0.02638%0.375CS..Hα-helixtrans-54.8-48.1177.2-165-70000111.8F161 E162 K167 E168 L169 L172 Y173 L176 W186 F197F161-F165 HydrophobicContact CE1-CD2 4Å; F161-F165 HydrophobicContact CE2-CD2 4.26Å; F161-F165 AromaticContact CZ-CD2 3.6Å; F161-F165 HydrophobicContact CZ-CD2 3.6Å; F161-F165 HydrophobicContact CZ-CE2 4.23Å; F161-F165 WeakPolarHBondContact O-CB 3.49Å; F161-F165 PolarHBondContact O-N 3.04Å; E162-F165 PolarHBondContact O-N 2.79Å; F165-K167 VanDerWaalsContact C-N 3.25Å; F165-K167 PolarHBondContact O-N 3.33Å; F165-E168 PolarHBondContact O-N 2.89Å; F165-L169 HydrophobicContact CD1-CB 4.34Å; F165-L169 HydrophobicContact CE1-CB 4.1Å; F165-L169 HydrophobicContact CE1-CD1 4.45Å; F165-L169 HydrophobicContact CE2-CD1 4.31Å; F165-L169 HydrophobicContact CZ-CD1 4.17Å; F165-L169 CarbonylContact O-C 3.56Å; F165-L169 WeakPolarHBondContact O-CA 3.4Å; F165-L169 PolarHBondContact O-N 2.91Å; F165-L172 HydrophobicContact CE1-CB 4.36Å; F165-L172 HydrophobicContact CE1-CD2 4.43Å; F165-L172 HydrophobicContact CE1-CG 4.26Å; F165-L172 HydrophobicContact CZ-CD2 3.9Å; F165-L172 HydrophobicContact CZ-CG 4.08Å; F165-Y173 HydrophobicContact CD1-CD2 4.08Å; F165-Y173 HydrophobicContact CD1-CG 4.48Å; F165-L176 HydrophobicContact CE1-CD1 4.17Å; F165-L176 HydrophobicContact CZ-CD1 3.89Å; F165-W186 HydrophobicContact CB-CH2 3.97Å; F165-W186 AromaticContact CD1-CH2 3.98Å; F165-W186 HydrophobicContact CD1-CH2 3.98Å; F165-W186 AromaticContact CD1-CZ3 3.71Å; F165-W186 HydrophobicContact CD1-CZ3 3.71Å; F165-W186 HydrophobicContact CD2-CH2 4.13Å; F165-W186 HydrophobicContact CD2-CZ3 4.15Å; F165-W186 AromaticContact CE1-CZ3 3.87Å; F165-W186 HydrophobicContact CE1-CZ3 3.87Å; F165-W186 HydrophobicContact CE2-CZ3 4.25Å; F165-W186 AromaticContact CG-CH2 3.75Å; F165-W186 HydrophobicContact CG-CH2 3.75Å; F165-W186 AromaticContact CG-CZ3 3.88Å; F165-W186 HydrophobicContact CG-CZ3 3.88Å; F165-W186 HydrophobicContact CZ-CZ3 4.13Å; F165-F197 HydrophobicContact CD2-CB 4.28Å; F165-F197 HydrophobicContact CD2-CG 4.47Å; F165-F197 HydrophobicContact CE2-CB 3.76Å; F165-F197 AromaticContact CE2-CD1 3.46Å; F165-F197 HydrophobicContact CE2-CD1 3.46Å; F165-F197 VanDerWaalsContact CE2-CD1 3.46Å; F165-F197 HydrophobicContact CE2-CD2 4.17Å; F165-F197 HydrophobicContact CE2-CE1 4.03Å; F165-F197 AromaticContact CE2-CG 3.54Å; F165-F197 HydrophobicContact CE2-CG 3.54Å; F165-F197 AromaticContact CZ-CD1 3.83Å; F165-F197 HydrophobicContact CZ-CD1 3.83Å; F165-F197 AromaticContact CZ-CE1 3.99Å; F165-F197 HydrophobicContact CZ-CE1 3.99Å; F165-F197 HydrophobicContact CZ-CG 4.33Å
166R96.6Very high94.3Very high124 Ų12470.9 Ų70.947%0.46836%0.364SS..Hα-helixtrans-62.4-32.7178.5-173.1-174.8-56.1176.85.6112.7E162 Q164 P170 Y173E162-R166 VanDerWaalsContact O-CB 3.32Å; E162-R166 WeakPolarHBondContact O-CB 3.24Å; E162-R166 PolarHBondContact O-N 3.43Å; E162-R166 IonicContact OE1-NH2 3.6Å; E162-R166 PolarHBondContact OE1-NH2 3.04Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-R166 PolarHBondContact O-N 3.46Å; R166-P170 WeakPolarHBondContact O-CA 3.35Å; R166-Y173 HydrophobicContact CB-CD1 4.16Å; R166-Y173 HydrophobicContact CB-CD2 4.31Å; R166-Y173 HydrophobicContact CB-CE1 4.43Å; R166-Y173 HydrophobicContact CB-CG 4.1Å; R166-Y173 HydrophobicContact CG-CD1 3.68Å; R166-Y173 HydrophobicContact CG-CE1 3.92Å; R166-Y173 HydrophobicContact CG-CG 4.11Å; R166-Y173 VanDerWaalsContact NE-CE1 3.26Å; R166-Y173 PolarHBondContact NH2-OH 2.86Å
167K96.4Very high95Very high177 Ų17771.6 Ų71.677%0.7735%0.354SS*.Hα-helixtrans-76.8-43-179.8-176-171.9174.4-1660111.6R163 Q164 F165R163-K167 WeakPolarHBondContact O-CB 3.32Å; R163-K167 PolarHBondContact O-N 3.45Å; Q164-K167 WeakPolarHBondContact O-CB 3.26Å; Q164-K167 PolarHBondContact O-N 3.49Å; F165-K167 VanDerWaalsContact C-N 3.25Å; F165-K167 PolarHBondContact O-N 3.33Å
168E93.6Very high95.3Very high108 Ų10875.2 Ų75.251%0.50537%0.368SS..Hα-helixtrans-84.2-36.6-173.7-69.6172-175.500112.2Q164 F165 P170Q164-E168 VanDerWaalsContact CG-CD 3.44Å; Q164-E168 HydrophobicContact CG-CG 4.32Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.3Å; Q164-E168 PolarHBondContact NE2-OE1 3.29Å; Q164-E168 PolarHBondContact O-N 3.37Å; F165-E168 PolarHBondContact O-N 2.89Å; E168-P170 VanDerWaalsContact C-CD 3.49Å; E168-P170 WeakPolarHBondContact O-CD 3.34Å
169L94.6Very high95.4Very high26 Ų2672.7 Ų72.714%0.13635%0.354CS..  trans-12961.7-175.4-56.1172.8000111.3F165 D171 L172 Y173 Y214F165-L169 HydrophobicContact CD1-CB 4.34Å; F165-L169 HydrophobicContact CE1-CB 4.1Å; F165-L169 HydrophobicContact CE1-CD1 4.45Å; F165-L169 HydrophobicContact CE2-CD1 4.31Å; F165-L169 HydrophobicContact CZ-CD1 4.17Å; F165-L169 CarbonylContact O-C 3.56Å; F165-L169 WeakPolarHBondContact O-CA 3.4Å; F165-L169 PolarHBondContact O-N 2.91Å; L169-D171 PolarHBondContact O-N 2.98Å; L169-L172 HydrophobicContact CB-CB 4.1Å; L169-L172 HydrophobicContact CD1-CD2 4.11Å; L169-L172 PolarHBondContact O-N 3.03Å; L169-Y173 WeakPolarHBondContact O-CB 3.4Å; L169-Y173 PolarHBondContact O-N 3.36Å; L169-Y214 HydrophobicContact CD1-CD1 3.75Å; L169-Y214 HydrophobicContact CD1-CD2 3.85Å; L169-Y214 HydrophobicContact CD1-CE1 3.76Å; L169-Y214 HydrophobicContact CD1-CE2 3.88Å; L169-Y214 HydrophobicContact CD1-CG 3.78Å; L169-Y214 HydrophobicContact CD2-CD2 3.83Å; L169-Y214 HydrophobicContact CD2-CE2 3.53Å; L169-Y214 HydrophobicContact CG-CE2 4.3Å
170P96.4Very high95.4Very high70 Ų7069.6 Ų69.646%0.45533%0.33SS..Hα-helixtrans-61.3-39.4-172.124.2-34.3000113.4R166 E168 Y173 K174R166-P170 WeakPolarHBondContact O-CA 3.35Å; E168-P170 VanDerWaalsContact C-CD 3.49Å; E168-P170 WeakPolarHBondContact O-CD 3.34Å; P170-Y173 PolarHBondContact O-N 3.41Å; P170-K174 WeakPolarHBondContact O-CB 3.11Å; P170-K174 PolarHBondContact O-N 2.98Å
171D95.8Very high95.3Very high78 Ų7875.9 Ų75.942%0.41736%0.356SS..Hα-helixtrans-71.5-40.8-179.9-68.1-48000112L169 Y173 K174 Y175 P224L169-D171 PolarHBondContact O-N 2.98Å; D171-Y173 VanDerWaalsContact C-N 3.34Å; D171-K174 WeakPolarHBondContact O-CB 3.45Å; D171-K174 PolarHBondContact O-N 3.35Å; D171-Y175 WeakPolarHBondContact O-CB 3.19Å; D171-Y175 PolarHBondContact O-N 2.79Å; D171-P224 HydrophobicContact CB-CG 3.92Å
172L95.5Very high95.2Very high3 Ų376.8 Ų76.82%0.01637%0.372CS..Hα-helixtrans-66.6-38.4175.6-173.359.6000111.1F165 L169 K174 Y175 L176 F197 F216 P224F165-L172 HydrophobicContact CE1-CB 4.36Å; F165-L172 HydrophobicContact CE1-CD2 4.43Å; F165-L172 HydrophobicContact CE1-CG 4.26Å; F165-L172 HydrophobicContact CZ-CD2 3.9Å; F165-L172 HydrophobicContact CZ-CG 4.08Å; L169-L172 HydrophobicContact CB-CB 4.1Å; L169-L172 HydrophobicContact CD1-CD2 4.11Å; L169-L172 PolarHBondContact O-N 3.03Å; L172-K174 VanDerWaalsContact C-N 3.34Å; L172-K174 PolarHBondContact O-N 2.96Å; L172-Y175 HydrophobicContact CD1-CD1 4.14Å; L172-Y175 WeakPolarHBondContact O-CB 3.13Å; L172-Y175 PolarHBondContact O-N 2.79Å; L172-L176 HydrophobicContact CG-CD1 4.29Å; L172-L176 WeakPolarHBondContact O-CG 3.46Å; L172-L176 PolarHBondContact O-N 3.35Å; L172-F197 HydrophobicContact CD2-CD1 4.36Å; L172-F197 HydrophobicContact CD2-CE1 3.96Å; L172-F216 HydrophobicContact CD1-CB 4.21Å; L172-P224 HydrophobicContact CD1-CB 3.93Å
173Y96.6Very high95.2Very high24 Ų2477.5 Ų77.59%0.09437%0.374CS..Hα-helixtrans-59.1-46.8172.2-179.4-102.8000111E162 F165 R166 L169 P170 D171 L176 K177 W186E162-Y173 HydrophobicContact CG-CE2 3.95Å; E162-Y173 PolarHBondContact OE1-OH 3.01Å; F165-Y173 HydrophobicContact CD1-CD2 4.08Å; F165-Y173 HydrophobicContact CD1-CG 4.48Å; R166-Y173 HydrophobicContact CB-CD1 4.16Å; R166-Y173 HydrophobicContact CB-CD2 4.31Å; R166-Y173 HydrophobicContact CB-CE1 4.43Å; R166-Y173 HydrophobicContact CB-CG 4.1Å; R166-Y173 HydrophobicContact CG-CD1 3.68Å; R166-Y173 HydrophobicContact CG-CE1 3.92Å; R166-Y173 HydrophobicContact CG-CG 4.11Å; R166-Y173 VanDerWaalsContact NE-CE1 3.26Å; R166-Y173 PolarHBondContact NH2-OH 2.86Å; L169-Y173 WeakPolarHBondContact O-CB 3.4Å; L169-Y173 PolarHBondContact O-N 3.36Å; P170-Y173 PolarHBondContact O-N 3.41Å; D171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-L176 PolarHBondContact O-N 3.02Å; Y173-K177 HydrophobicContact CD1-CG 4.12Å; Y173-K177 HydrophobicContact CD2-CG 4.3Å; Y173-K177 HydrophobicContact CE1-CD 4.4Å; Y173-K177 HydrophobicContact CE1-CG 3.64Å; Y173-K177 HydrophobicContact CE2-CD 4.13Å; Y173-K177 HydrophobicContact CE2-CG 3.85Å; Y173-K177 HydrophobicContact CG-CG 4.42Å; Y173-K177 VanDerWaalsContact CZ-CG 3.47Å; Y173-K177 WeakPolarHBondContact O-CB 3.33Å; Y173-K177 WeakPolarHBondContact O-CG 3.49Å; Y173-K177 PolarHBondContact O-N 3.21Å; Y173-W186 HydrophobicContact CD2-CD2 4.16Å; Y173-W186 AromaticContact CD2-CE3 3.82Å; Y173-W186 HydrophobicContact CD2-CE3 3.82Å; Y173-W186 AromaticContact CD2-CH2 3.96Å; Y173-W186 HydrophobicContact CD2-CH2 3.96Å; Y173-W186 HydrophobicContact CD2-CZ2 4.27Å; Y173-W186 AromaticContact CD2-CZ3 3.71Å; Y173-W186 HydrophobicContact CD2-CZ3 3.71Å; Y173-W186 AromaticContact CE2-CD2 3.79Å; Y173-W186 HydrophobicContact CE2-CD2 3.79Å; Y173-W186 AromaticContact CE2-CE2 3.71Å; Y173-W186 AromaticContact CE2-CE3 3.96Å; Y173-W186 HydrophobicContact CE2-CE3 3.96Å; Y173-W186 HydrophobicContact CE2-CG 4.46Å; Y173-W186 HydrophobicContact CE2-CH2 4.06Å; Y173-W186 AromaticContact CE2-CZ2 3.88Å; Y173-W186 HydrophobicContact CE2-CZ2 3.88Å; Y173-W186 HydrophobicContact CE2-CZ3 4.09Å
174K96.5Very high95.1Very high100 Ų10067.9 Ų67.944%0.43534%0.338SS..Hα-helixtrans-60.3-46.2175.3-173.1-175.8177.1-174.80111.4P170 D171 L172 L176 K177 E178 W226P170-K174 WeakPolarHBondContact O-CB 3.11Å; P170-K174 PolarHBondContact O-N 2.98Å; D171-K174 WeakPolarHBondContact O-CB 3.45Å; D171-K174 PolarHBondContact O-N 3.35Å; L172-K174 VanDerWaalsContact C-N 3.34Å; L172-K174 PolarHBondContact O-N 2.96Å; K174-L176 VanDerWaalsContact C-N 3.32Å; K174-L176 PolarHBondContact O-N 3.18Å; K174-K177 PolarHBondContact O-N 2.92Å; K174-E178 WeakPolarHBondContact CE-OE1 3.01Å; K174-E178 VanDerWaalsContact CE-OE2 3.26Å; K174-E178 WeakPolarHBondContact CE-OE2 3.36Å; K174-E178 VanDerWaalsContact CG-CD 3.48Å; K174-E178 HydrophobicContact CG-CG 4.2Å; K174-E178 WeakPolarHBondContact CG-OE1 3.41Å; K174-E178 WeakPolarHBondContact O-CB 3.32Å; K174-E178 WeakPolarHBondContact O-CG 3.26Å; K174-E178 PolarHBondContact O-N 2.89Å; K174-W226 HydrophobicContact CB-CH2 4.45Å; K174-W226 HydrophobicContact CD-CH2 4.33Å; K174-W226 HydrophobicContact CG-CH2 4.2Å
175Y96.1Very high95.1Very high1 Ų163.8 Ų63.80%0.00432%0.321CS..Hα-helixtrans-53.6-47.5176169.7-87.4000111.6D171 L172 A179 V184 F216 P224 W226 I228 R229D171-Y175 WeakPolarHBondContact O-CB 3.19Å; D171-Y175 PolarHBondContact O-N 2.79Å; L172-Y175 HydrophobicContact CD1-CD1 4.14Å; L172-Y175 WeakPolarHBondContact O-CB 3.13Å; L172-Y175 PolarHBondContact O-N 2.79Å; Y175-A179 PolarHBondContact O-N 3.33Å; Y175-V184 HydrophobicContact CE1-CG1 4.44Å; Y175-F216 HydrophobicContact CE1-CB 3.98Å; Y175-F216 HydrophobicContact CE1-CG 4.4Å; Y175-P224 HydrophobicContact CD1-CB 4.46Å; Y175-P224 HydrophobicContact CD2-CB 3.85Å; Y175-P224 HydrophobicContact CG-CB 3.78Å; Y175-W226 HydrophobicContact CD2-CD2 4.07Å; Y175-W226 AromaticContact CD2-CE3 3.89Å; Y175-W226 HydrophobicContact CD2-CE3 3.89Å; Y175-W226 HydrophobicContact CD2-CZ3 4.2Å; Y175-I228 PolarHBondContact OH-O 3.42Å; Y175-R229 HydrophobicContact CE2-CG 3.67Å; Y175-R229 PolarHBondContact O-NH1 2.92Å; Y175-R229 PolarHBondContact O-NH2 2.58Å; Y175-R229 WeakPolarHBondContact OH-CG 3.44Å
176L95.9Very high95.1Very high1 Ų164.3 Ų64.31%0.00532%0.323CS..Hα-helixtrans-72.3-34.3-179.4-68.7166.2000113F165 L172 Y173 K174 A179 V184 S185 W186 V189 F216F165-L176 HydrophobicContact CE1-CD1 4.17Å; F165-L176 HydrophobicContact CZ-CD1 3.89Å; L172-L176 HydrophobicContact CG-CD1 4.29Å; L172-L176 WeakPolarHBondContact O-CG 3.46Å; L172-L176 PolarHBondContact O-N 3.35Å; Y173-L176 PolarHBondContact O-N 3.02Å; K174-L176 VanDerWaalsContact C-N 3.32Å; K174-L176 PolarHBondContact O-N 3.18Å; L176-A179 WeakPolarHBondContact O-CB 3.46Å; L176-V184 HydrophobicContact CD2-CG2 4.48Å; L176-S185 CarbonylContact O-C 3.6Å; L176-S185 VanDerWaalsContact O-CA 3.3Å; L176-S185 WeakPolarHBondContact O-CA 3.43Å; L176-W186 HydrophobicContact CB-CB 4.36Å; L176-W186 HydrophobicContact CB-CE3 4.18Å; L176-W186 HydrophobicContact CD1-CE3 3.98Å; L176-W186 HydrophobicContact CD1-CZ3 4.2Å; L176-W186 PolarHBondContact O-N 2.93Å; L176-V189 HydrophobicContact CD1-CG2 3.72Å; L176-V189 HydrophobicContact CD2-CG2 4.12Å; L176-V189 HydrophobicContact CG-CG2 4.48Å; L176-F216 HydrophobicContact CD2-CD2 4.26Å; L176-F216 HydrophobicContact CD2-CE2 4.47Å
177K95.5Very high95Very high115 Ų11560.3 Ų60.350%0.531%0.314SS..Hα-helixtrans-74-33.8178.1-75.3-66.6-64.3-179.80113.3Y173 K174 A179 W186Y173-K177 HydrophobicContact CD1-CG 4.12Å; Y173-K177 HydrophobicContact CD2-CG 4.3Å; Y173-K177 HydrophobicContact CE1-CD 4.4Å; Y173-K177 HydrophobicContact CE1-CG 3.64Å; Y173-K177 HydrophobicContact CE2-CD 4.13Å; Y173-K177 HydrophobicContact CE2-CG 3.85Å; Y173-K177 HydrophobicContact CG-CG 4.42Å; Y173-K177 VanDerWaalsContact CZ-CG 3.47Å; Y173-K177 WeakPolarHBondContact O-CB 3.33Å; Y173-K177 WeakPolarHBondContact O-CG 3.49Å; Y173-K177 PolarHBondContact O-N 3.21Å; K174-K177 PolarHBondContact O-N 2.92Å; K177-A179 VanDerWaalsContact C-N 3.28Å; K177-W186 HydrophobicContact CD-CB 3.6Å; K177-W186 HydrophobicContact CD-CD2 4.41Å; K177-W186 HydrophobicContact CD-CG 3.63Å; K177-W186 HydrophobicContact CG-CB 4.26Å; K177-W186 HydrophobicContact CG-CG 4.39Å
178E95.3Very high94.9Very high110 Ų11051.9 Ų51.951%0.51428%0.278SS..THydrogen-bonded Turntrans-91.414.1-180-64178.1174.900112.6K174K174-E178 WeakPolarHBondContact CE-OE1 3.01Å; K174-E178 VanDerWaalsContact CE-OE2 3.26Å; K174-E178 WeakPolarHBondContact CE-OE2 3.36Å; K174-E178 VanDerWaalsContact CG-CD 3.48Å; K174-E178 HydrophobicContact CG-CG 4.2Å; K174-E178 WeakPolarHBondContact CG-OE1 3.41Å; K174-E178 WeakPolarHBondContact O-CB 3.32Å; K174-E178 WeakPolarHBondContact O-CG 3.26Å; K174-E178 PolarHBondContact O-N 2.89Å
179A94.2Very high95Very high22 Ų2246.8 Ų46.818%0.18225%0.254CS..PPolyproline II helixtrans-62.6131.1-179.400000112Y175 L176 K177 V184Y175-A179 PolarHBondContact O-N 3.33Å; L176-A179 WeakPolarHBondContact O-CB 3.46Å; K177-A179 VanDerWaalsContact C-N 3.28Å; A179-V184 WeakPolarHBondContact CB-O 3.31Å
180P93.4Very high94.9Very high73 Ų7347.9 Ų47.947%0.47426%0.261SS..PPolyproline II helixtrans-61.4159.1169.7-21.432.7000112G182 K183P180-G182 PolarHBondContact O-N 3.35Å; P180-K183 HydrophobicContact CB-CG 4.21Å; P180-K183 HydrophobicContact CG-CG 4.41Å; P180-K183 WeakPolarHBondContact O-CB 3.27Å; P180-K183 PolarHBondContact O-N 3.07Å; P180-K183 VanDerWaalsContact O-N 3.09Å
181I91.9Very high94.8Very high157 Ų15745.6 Ų45.681%0.80525%0.245SC*.THydrogen-bonded Turntrans-54.2132.8176.4-60.5173.7000110.3K183 L252I181-K183 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 3.05Å; I181-L252 HydrophobicContact CG2-CD1 3.65Å
182G91.9Very high94.7Very high43 Ų4342 Ų4244%0.44323%0.225SC..THydrogen-bonded Turntrans80.1-2.6179.100000115.2P180 P231 S232P180-G182 PolarHBondContact O-N 3.35Å; G182-P231 WeakPolarHBondContact O-CA 3.29Å; G182-S232 PolarHBondContact O-N 2.91Å
183K94.9Very high94.7Very high81 Ų8141.8 Ų41.835%0.35222%0.224SC..BIsolated β-bridgetrans-94158.3170.2-60.1-57.1-166.5165.70110.7P180 I181 S185 R229P180-K183 HydrophobicContact CB-CG 4.21Å; P180-K183 HydrophobicContact CG-CG 4.41Å; P180-K183 WeakPolarHBondContact O-CB 3.27Å; P180-K183 PolarHBondContact O-N 3.07Å; P180-K183 VanDerWaalsContact O-N 3.09Å; I181-K183 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 3.05Å; K183-S185 PolarHBondContact O-N 3.44Å; K183-R229 HydrophobicContact CB-CB 4.36Å; K183-R229 HydrophobicContact CD-CB 4.15Å; K183-R229 WeakPolarHBondContact CD-O 3.31Å; K183-R229 WeakPolarHBondContact CE-O 2.92Å; K183-R229 HydrophobicContact CG-CB 4.19Å; K183-R229 PolarHBondContact NZ-O 2.92Å
184V95.4Very high94.6Very high1 Ų142.5 Ų42.51%0.00623%0.227CC..  trans-57.2134.6174.469.10000110.7Y175 L176 A179 D188 M193 F216 P230Y175-V184 HydrophobicContact CE1-CG1 4.44Å; L176-V184 HydrophobicContact CD2-CG2 4.48Å; A179-V184 WeakPolarHBondContact CB-O 3.31Å; V184-D188 HydrophobicContact CG2-CB 4.07Å; V184-M193 HydrophobicContact CG2-SD 3.83Å; V184-F216 HydrophobicContact CB-CZ 4.16Å; V184-F216 HydrophobicContact CG1-CD1 4.24Å; V184-F216 HydrophobicContact CG1-CD2 4.46Å; V184-F216 HydrophobicContact CG1-CE1 3.94Å; V184-F216 HydrophobicContact CG1-CE2 4.16Å; V184-F216 HydrophobicContact CG1-CG 4.48Å; V184-F216 HydrophobicContact CG1-CZ 3.88Å; V184-F216 HydrophobicContact CG2-CE1 4.42Å; V184-F216 HydrophobicContact CG2-CE2 3.75Å; V184-F216 HydrophobicContact CG2-CZ 3.58Å; V184-P230 HydrophobicContact CG1-CG 3.83Å; V184-P230 PolarHBondContact N-O 3.44Å; V184-P230 VanDerWaalsContact N-O 3.09Å
185S95.2Very high94.5Very high20 Ų2038.3 Ų38.314%0.1421%0.21CC..  trans-146.3175.4-164.868.70000112L176 K183 S187 D188 V189L176-S185 CarbonylContact O-C 3.6Å; L176-S185 VanDerWaalsContact O-CA 3.3Å; L176-S185 WeakPolarHBondContact O-CA 3.43Å; K183-S185 PolarHBondContact O-N 3.44Å; S185-S187 PolarHBondContact O-N 3.33Å; S185-S187 PolarHBondContact OG-N 2.84Å; S185-S187 PolarHBondContact OG-OG 2.91Å; S185-D188 PolarHBondContact N-OD2 2.87Å; S185-D188 WeakPolarHBondContact O-CB 3.4Å; S185-D188 PolarHBondContact O-N 3.29Å; S185-D188 VanDerWaalsContact O-N 3.08Å; S185-D188 PolarHBondContact OG-OD2 3.26Å; S185-V189 PolarHBondContact O-N 3.09Å
186W95.4Very high94.4Very high16 Ų1638.3 Ų38.36%0.06121%0.21CC..Hα-helixtrans-62.4-27.2175.5-168.9-109.6000113.4F161 E162 F165 Y173 L176 K177 D188 V189 T190F161-W186 HydrophobicContact CD1-CH2 4.36Å; F161-W186 AromaticContact CE1-CH2 3.9Å; F161-W186 HydrophobicContact CE1-CH2 3.9Å; F161-W186 HydrophobicContact CE1-CZ2 4.47Å; E162-W186 HydrophobicContact CB-CZ2 3.7Å; E162-W186 HydrophobicContact CG-CH2 4.38Å; E162-W186 HydrophobicContact CG-CZ2 3.51Å; E162-W186 PolarHBondContact OE2-NE1 3.44Å; F165-W186 HydrophobicContact CB-CH2 3.97Å; F165-W186 AromaticContact CD1-CH2 3.98Å; F165-W186 HydrophobicContact CD1-CH2 3.98Å; F165-W186 AromaticContact CD1-CZ3 3.71Å; F165-W186 HydrophobicContact CD1-CZ3 3.71Å; F165-W186 HydrophobicContact CD2-CH2 4.13Å; F165-W186 HydrophobicContact CD2-CZ3 4.15Å; F165-W186 AromaticContact CE1-CZ3 3.87Å; F165-W186 HydrophobicContact CE1-CZ3 3.87Å; F165-W186 HydrophobicContact CE2-CZ3 4.25Å; F165-W186 AromaticContact CG-CH2 3.75Å; F165-W186 HydrophobicContact CG-CH2 3.75Å; F165-W186 AromaticContact CG-CZ3 3.88Å; F165-W186 HydrophobicContact CG-CZ3 3.88Å; F165-W186 HydrophobicContact CZ-CZ3 4.13Å; Y173-W186 HydrophobicContact CD2-CD2 4.16Å; Y173-W186 AromaticContact CD2-CE3 3.82Å; Y173-W186 HydrophobicContact CD2-CE3 3.82Å; Y173-W186 AromaticContact CD2-CH2 3.96Å; Y173-W186 HydrophobicContact CD2-CH2 3.96Å; Y173-W186 HydrophobicContact CD2-CZ2 4.27Å; Y173-W186 AromaticContact CD2-CZ3 3.71Å; Y173-W186 HydrophobicContact CD2-CZ3 3.71Å; Y173-W186 AromaticContact CE2-CD2 3.79Å; Y173-W186 HydrophobicContact CE2-CD2 3.79Å; Y173-W186 AromaticContact CE2-CE2 3.71Å; Y173-W186 AromaticContact CE2-CE3 3.96Å; Y173-W186 HydrophobicContact CE2-CE3 3.96Å; Y173-W186 HydrophobicContact CE2-CG 4.46Å; Y173-W186 HydrophobicContact CE2-CH2 4.06Å; Y173-W186 AromaticContact CE2-CZ2 3.88Å; Y173-W186 HydrophobicContact CE2-CZ2 3.88Å; Y173-W186 HydrophobicContact CE2-CZ3 4.09Å; L176-W186 HydrophobicContact CB-CB 4.36Å; L176-W186 HydrophobicContact CB-CE3 4.18Å; L176-W186 HydrophobicContact CD1-CE3 3.98Å; L176-W186 HydrophobicContact CD1-CZ3 4.2Å; L176-W186 PolarHBondContact O-N 2.93Å; K177-W186 HydrophobicContact CD-CB 3.6Å; K177-W186 HydrophobicContact CD-CD2 4.41Å; K177-W186 HydrophobicContact CD-CG 3.63Å; K177-W186 HydrophobicContact CG-CB 4.26Å; K177-W186 HydrophobicContact CG-CG 4.39Å; W186-D188 VanDerWaalsContact C-N 3.3Å; W186-D188 PolarHBondContact O-N 3.44Å; W186-V189 HydrophobicContact CE3-CB 4.09Å; W186-V189 HydrophobicContact CE3-CG1 4.24Å; W186-V189 HydrophobicContact CE3-CG2 4.44Å; W186-V189 HydrophobicContact CH2-CG1 4.19Å; W186-V189 HydrophobicContact CZ3-CB 4.22Å; W186-V189 HydrophobicContact CZ3-CG1 3.85Å; W186-V189 PolarHBondContact O-N 3.49Å; W186-T190 HydrophobicContact CD2-CG2 4.31Å; W186-T190 HydrophobicContact CG-CG2 4.4Å; W186-T190 HydrophobicContact CZ2-CG2 3.96Å; W186-T190 VanDerWaalsContact NE1-CG2 3.31Å; W186-T190 PolarHBondContact O-N 3.08Å; W186-T190 PolarHBondContact O-OG1 3.49Å
187S94.5Very high94.4Very high40 Ų4039 Ų3928%0.2821%0.213SC..Hα-helixtrans-66.4-33.8173.849.80000111.6S185 T190 H191S185-S187 PolarHBondContact O-N 3.33Å; S185-S187 PolarHBondContact OG-N 2.84Å; S185-S187 PolarHBondContact OG-OG 2.91Å; S187-T190 WeakPolarHBondContact CA-OG1 3.49Å; S187-T190 PolarHBondContact O-OG1 3.32Å; S187-H191 WeakPolarHBondContact O-CB 3.44Å; S187-H191 PolarHBondContact O-N 3.3Å
188D95.3Very high94.3Very high1 Ų135.4 Ų35.41%0.00520%0.201CC..Hα-helixtrans-66-43.9174.7-58.1-79.4000111.1V184 S185 W186 H191 W192 M193 S232 P251V184-D188 HydrophobicContact CG2-CB 4.07Å; S185-D188 PolarHBondContact N-OD2 2.87Å; S185-D188 WeakPolarHBondContact O-CB 3.4Å; S185-D188 PolarHBondContact O-N 3.29Å; S185-D188 VanDerWaalsContact O-N 3.08Å; S185-D188 PolarHBondContact OG-OD2 3.26Å; W186-D188 VanDerWaalsContact C-N 3.3Å; W186-D188 PolarHBondContact O-N 3.44Å; D188-H191 PolarHBondContact O-N 2.83Å; D188-W192 PolarHBondContact O-N 2.98Å; D188-M193 HydrophobicContact CB-CG 4.25Å; D188-M193 HydrophobicContact CB-SD 3.76Å; D188-M193 PolarHBondContact O-N 2.77Å; D188-S232 PolarHBondContact OD1-OG 2.94Å; D188-P251 HydrophobicContact CB-CG 4.42Å; D188-P251 VanDerWaalsContact OD1-CB 3.27Å; D188-P251 WeakPolarHBondContact OD1-CB 3.4Å; D188-P251 WeakPolarHBondContact OD1-CG 3.38Å
189V95Very high94Very high0 Ų037.8 Ų37.80%021%0.212CC..Iπ-helixtrans-61.3-50.8177.6-1790000111.9F161 L176 S185 W186 H191 M193 W194 F197F161-V189 HydrophobicContact CE1-CG1 3.86Å; F161-V189 HydrophobicContact CZ-CG1 4.23Å; L176-V189 HydrophobicContact CD1-CG2 3.72Å; L176-V189 HydrophobicContact CD2-CG2 4.12Å; L176-V189 HydrophobicContact CG-CG2 4.48Å; S185-V189 PolarHBondContact O-N 3.09Å; W186-V189 HydrophobicContact CE3-CB 4.09Å; W186-V189 HydrophobicContact CE3-CG1 4.24Å; W186-V189 HydrophobicContact CE3-CG2 4.44Å; W186-V189 HydrophobicContact CH2-CG1 4.19Å; W186-V189 HydrophobicContact CZ3-CB 4.22Å; W186-V189 HydrophobicContact CZ3-CG1 3.85Å; W186-V189 PolarHBondContact O-N 3.49Å; V189-H191 VanDerWaalsContact C-N 3.33Å; V189-H191 PolarHBondContact O-N 3.14Å; V189-M193 HydrophobicContact CG2-CB 4.42Å; V189-M193 PolarHBondContact O-N 2.79Å; V189-W194 HydrophobicContact CG1-CB 4.34Å; V189-W194 WeakPolarHBondContact O-CB 3.12Å; V189-W194 PolarHBondContact O-N 3.15Å; V189-F197 HydrophobicContact CB-CE2 4.4Å; V189-F197 HydrophobicContact CG1-CD2 4.04Å; V189-F197 HydrophobicContact CG1-CE2 3.91Å; V189-F197 HydrophobicContact CG2-CE2 3.68Å; V189-F197 HydrophobicContact CG2-CZ 4Å
190T93.2Very high93.8Very high49 Ų4940.9 Ų40.930%0.30122%0.223SC..Iπ-helixtrans-69.6-30.8-179.749.90000113.1P157 W186 S187P157-T190 VanDerWaalsContact CD-O 3.25Å; P157-T190 WeakPolarHBondContact CD-O 3.44Å; W186-T190 HydrophobicContact CD2-CG2 4.31Å; W186-T190 HydrophobicContact CG-CG2 4.4Å; W186-T190 HydrophobicContact CZ2-CG2 3.96Å; W186-T190 VanDerWaalsContact NE1-CG2 3.31Å; W186-T190 PolarHBondContact O-N 3.08Å; W186-T190 PolarHBondContact O-OG1 3.49Å; S187-T190 WeakPolarHBondContact CA-OG1 3.49Å; S187-T190 PolarHBondContact O-OG1 3.32Å
191H93.3Very high93.8Very high23 Ų2338.5 Ų38.511%0.10620%0.204CC..Iπ-helixtrans-72.8-46.4178.4-175.757000112.2S187 D188 V189 Y237 W250 P251S187-H191 WeakPolarHBondContact O-CB 3.44Å; S187-H191 PolarHBondContact O-N 3.3Å; D188-H191 PolarHBondContact O-N 2.83Å; V189-H191 VanDerWaalsContact C-N 3.33Å; V189-H191 PolarHBondContact O-N 3.14Å; H191-Y237 AromaticContact CE1-CE2 3.95Å; H191-Y237 AromaticContact CE1-CZ 3.99Å; H191-Y237 PolarHBondContact CE1-OH 3.2Å; H191-Y237 VanDerWaalsContact CE1-OH 3.25Å; H191-Y237 AromaticContact NE2-CE2 3.43Å; H191-Y237 WeakPolarHBondContact NE2-CE2 2.9Å; H191-Y237 AromaticContact NE2-CZ 3.54Å; H191-Y237 PolarHBondContact NE2-OH 3.23Å; H191-W250 AromaticContact CE1-CD1 3.83Å; H191-W250 AromaticContact CE1-CD2 3.6Å; H191-W250 AromaticContact CE1-CE2 3.43Å; H191-W250 VanDerWaalsContact CE1-CE2 3.43Å; H191-W250 AromaticContact CE1-CG 3.86Å; H191-W250 AromaticContact CE1-CZ2 3.92Å; H191-W250 AromaticContact CE1-NE1 3.57Å; H191-W250 AromaticContact ND1-CD1 3.66Å; H191-W250 AromaticContact ND1-CE2 3.95Å; H191-W250 AromaticContact ND1-NE1 3.6Å; H191-P251 HydrophobicContact CB-CG 4.05Å
192W93.4Very high94Very high1 Ų131.2 Ų31.20%0.00417%0.167CC..Iπ-helixtrans-152.7-27.4-174.880-92.2000116.3F129 L132 W135 V147 D188 W194 P195 L196 P233F129-W192 HydrophobicContact CD1-CE3 4.29Å; F129-W192 HydrophobicContact CE1-CB 3.57Å; F129-W192 AromaticContact CE1-CD2 3.98Å; F129-W192 HydrophobicContact CE1-CD2 3.98Å; F129-W192 AromaticContact CE1-CE3 3.77Å; F129-W192 HydrophobicContact CE1-CE3 3.77Å; F129-W192 AromaticContact CE1-CG 3.96Å; F129-W192 HydrophobicContact CE1-CG 3.96Å; F129-W192 HydrophobicContact CZ-CB 3.86Å; F129-W192 HydrophobicContact CZ-CG 4.4Å; L132-W192 HydrophobicContact CD2-CE3 4.4Å; L132-W192 HydrophobicContact CD2-CZ3 3.91Å; W135-W192 HydrophobicContact CD2-CH2 4.18Å; W135-W192 AromaticContact CE3-CH2 3.58Å; W135-W192 HydrophobicContact CE3-CH2 3.58Å; W135-W192 HydrophobicContact CE3-CZ2 4.21Å; W135-W192 AromaticContact CZ3-CH2 3.79Å; W135-W192 HydrophobicContact CZ3-CH2 3.79Å; W135-W192 AromaticContact CZ3-CZ2 3.92Å; W135-W192 HydrophobicContact CZ3-CZ2 3.92Å; V147-W192 HydrophobicContact CG2-CD2 4.31Å; V147-W192 HydrophobicContact CG2-CE3 4.26Å; V147-W192 HydrophobicContact CG2-CH2 3.51Å; V147-W192 HydrophobicContact CG2-CZ2 3.52Å; V147-W192 HydrophobicContact CG2-CZ3 3.9Å; D188-W192 PolarHBondContact O-N 2.98Å; W192-W194 VanDerWaalsContact C-N 3.3Å; W192-W194 PolarHBondContact O-N 2.66Å; W192-P195 WeakPolarHBondContact O-CD 3.35Å; W192-L196 HydrophobicContact CH2-CD1 4.17Å; W192-L196 HydrophobicContact CZ3-CD1 3.98Å; W192-P233 HydrophobicContact CZ2-CB 4.19Å; W192-P233 HydrophobicContact CZ2-CG 3.55Å
193M95.1Very high94.1Very high0 Ų031.4 Ų31.40%016%0.162CC..Iπ-helixtrans-79-9.4-170.8-50.2-177.364.900114.5W135 V184 D188 V189 P195 L196 F197 F216 P233W135-M193 HydrophobicContact CH2-CE 3.81Å; W135-M193 HydrophobicContact CZ2-CE 3.43Å; W135-M193 VanDerWaalsContact CZ2-CE 3.43Å; W135-M193 HydrophobicContact CZ3-CE 4.5Å; V184-M193 HydrophobicContact CG2-SD 3.83Å; D188-M193 HydrophobicContact CB-CG 4.25Å; D188-M193 HydrophobicContact CB-SD 3.76Å; D188-M193 PolarHBondContact O-N 2.77Å; V189-M193 HydrophobicContact CG2-CB 4.42Å; V189-M193 PolarHBondContact O-N 2.79Å; M193-P195 VanDerWaalsContact C-N 3.28Å; M193-P195 WeakPolarHBondContact O-CD 3.11Å; M193-P195 VanDerWaalsContact O-N 3.11Å; M193-L196 HydrophobicContact CB-CD1 4.19Å; M193-L196 HydrophobicContact CE-CD1 3.84Å; M193-L196 VanDerWaalsContact O-CB 3.3Å; M193-L196 WeakPolarHBondContact O-CB 3.35Å; M193-L196 PolarHBondContact O-N 2.87Å; M193-F197 HydrophobicContact CB-CE2 4.08Å; M193-F197 WeakPolarHBondContact O-CD2 3.33Å; M193-F216 HydrophobicContact CE-CE2 3.76Å; M193-F216 HydrophobicContact CE-CZ 3.59Å; M193-F216 HydrophobicContact SD-CE2 4.4Å; M193-F216 HydrophobicContact SD-CZ 4.36Å; M193-P233 HydrophobicContact SD-CG 4.31Å
194W94.8Very high94.1Very high39 Ų3927.9 Ų27.915%0.14815%0.147CC..G310 helixtrans-50.5-35.2-175.875.1-94.3000115.3Y155 P157 P158 F161 V189 W192 L196 F197 T198Y155-W194 AromaticContact CD2-CE2 3.75Å; Y155-W194 AromaticContact CD2-CZ2 3.46Å; Y155-W194 HydrophobicContact CD2-CZ2 3.46Å; Y155-W194 VanDerWaalsContact CD2-CZ2 3.46Å; Y155-W194 AromaticContact CD2-NE1 3.52Å; Y155-W194 HydrophobicContact CE2-CZ2 4.05Å; Y155-W194 AromaticContact CE2-NE1 3.97Å; Y155-W194 HydrophobicContact CG-CZ2 4.11Å; P157-W194 HydrophobicContact CB-CB 4.05Å; P157-W194 HydrophobicContact CB-CD2 4.18Å; P157-W194 HydrophobicContact CB-CG 3.76Å; P158-W194 HydrophobicContact CG-CZ3 4.37Å; F161-W194 HydrophobicContact CD1-CB 4.2Å; F161-W194 HydrophobicContact CE1-CB 3.66Å; F161-W194 HydrophobicContact CE2-CB 4.17Å; F161-W194 HydrophobicContact CE2-CE3 4.49Å; F161-W194 HydrophobicContact CZ-CB 3.63Å; V189-W194 HydrophobicContact CG1-CB 4.34Å; V189-W194 WeakPolarHBondContact O-CB 3.12Å; V189-W194 PolarHBondContact O-N 3.15Å; W192-W194 VanDerWaalsContact C-N 3.3Å; W192-W194 PolarHBondContact O-N 2.66Å; W194-L196 PolarHBondContact O-N 3.19Å; W194-F197 PolarHBondContact O-N 2.66Å; W194-F197 VanDerWaalsContact O-N 3.16Å; W194-T198 HydrophobicContact CE3-CG2 4.31Å; W194-T198 HydrophobicContact CZ3-CG2 4.09Å
195P94.3Very high94.2Very high12 Ų1227.8 Ų27.88%0.07815%0.146CC..G310 helixtrans-62.7-30.3177.9-21.234.8000112.4L132 Y155 W192 M193 F197 T198L132-P195 HydrophobicContact CD1-CB 3.91Å; L132-P195 HydrophobicContact CD1-CG 4.29Å; Y155-P195 HydrophobicContact CE2-CG 3.8Å; W192-P195 WeakPolarHBondContact O-CD 3.35Å; M193-P195 VanDerWaalsContact C-N 3.28Å; M193-P195 WeakPolarHBondContact O-CD 3.11Å; M193-P195 VanDerWaalsContact O-N 3.11Å; P195-F197 PolarHBondContact O-N 3.28Å; P195-F197 VanDerWaalsContact O-N 3.1Å; P195-T198 WeakPolarHBondContact O-CG2 3.49Å; P195-T198 PolarHBondContact O-N 3.15Å; P195-T198 VanDerWaalsContact O-N 3.12Å; P195-T198 PolarHBondContact O-OG1 3.12Å
196L95.2Very high94.2Very high1 Ų133.3 Ų33.31%0.00517%0.165CC..G310 helixtrans-66.7-11.6-179.7-58.8174.6000113.4L132 W135 W192 M193 W194 P215L132-L196 HydrophobicContact CB-CD2 4.15Å; L132-L196 HydrophobicContact CD1-CD2 4.44Å; L132-L196 HydrophobicContact CD2-CD2 4.42Å; W135-L196 HydrophobicContact CB-CD1 4.29Å; W135-L196 HydrophobicContact CB-CD2 4.25Å; W135-L196 HydrophobicContact CD2-CD1 3.98Å; W135-L196 HydrophobicContact CG-CD1 3.67Å; W135-L196 HydrophobicContact CG-CD2 4.36Å; W192-L196 HydrophobicContact CH2-CD1 4.17Å; W192-L196 HydrophobicContact CZ3-CD1 3.98Å; M193-L196 HydrophobicContact CB-CD1 4.19Å; M193-L196 HydrophobicContact CE-CD1 3.84Å; M193-L196 VanDerWaalsContact O-CB 3.3Å; M193-L196 WeakPolarHBondContact O-CB 3.35Å; M193-L196 PolarHBondContact O-N 2.87Å; W194-L196 PolarHBondContact O-N 3.19Å; L196-P215 HydrophobicContact CB-CG 3.93Å; L196-P215 WeakPolarHBondContact O-CD 3.43Å
197F95Very high94.1Very high14 Ų1439.1 Ų39.16%0.06119%0.193CC..G310 helixtrans-105.811.4178.7-59.7-88.4000112.8F161 F165 L172 V189 M193 W194 P195 Y214 P215 F216F161-F197 HydrophobicContact CE2-CB 4.5Å; F161-F197 HydrophobicContact CZ-CB 4.22Å; F165-F197 HydrophobicContact CD2-CB 4.28Å; F165-F197 HydrophobicContact CD2-CG 4.47Å; F165-F197 HydrophobicContact CE2-CB 3.76Å; F165-F197 AromaticContact CE2-CD1 3.46Å; F165-F197 HydrophobicContact CE2-CD1 3.46Å; F165-F197 VanDerWaalsContact CE2-CD1 3.46Å; F165-F197 HydrophobicContact CE2-CD2 4.17Å; F165-F197 HydrophobicContact CE2-CE1 4.03Å; F165-F197 AromaticContact CE2-CG 3.54Å; F165-F197 HydrophobicContact CE2-CG 3.54Å; F165-F197 AromaticContact CZ-CD1 3.83Å; F165-F197 HydrophobicContact CZ-CD1 3.83Å; F165-F197 AromaticContact CZ-CE1 3.99Å; F165-F197 HydrophobicContact CZ-CE1 3.99Å; F165-F197 HydrophobicContact CZ-CG 4.33Å; L172-F197 HydrophobicContact CD2-CD1 4.36Å; L172-F197 HydrophobicContact CD2-CE1 3.96Å; V189-F197 HydrophobicContact CB-CE2 4.4Å; V189-F197 HydrophobicContact CG1-CD2 4.04Å; V189-F197 HydrophobicContact CG1-CE2 3.91Å; V189-F197 HydrophobicContact CG2-CE2 3.68Å; V189-F197 HydrophobicContact CG2-CZ 4Å; M193-F197 HydrophobicContact CB-CE2 4.08Å; M193-F197 WeakPolarHBondContact O-CD2 3.33Å; W194-F197 PolarHBondContact O-N 2.66Å; W194-F197 VanDerWaalsContact O-N 3.16Å; P195-F197 PolarHBondContact O-N 3.28Å; P195-F197 VanDerWaalsContact O-N 3.1Å; F197-Y214 HydrophobicContact CD1-CD1 4.25Å; F197-P215 HydrophobicContact CE1-CB 4.24Å; F197-P215 HydrophobicContact CE1-CG 4.19Å; F197-P215 HydrophobicContact CZ-CB 4.18Å; F197-P215 HydrophobicContact CZ-CG 4.21Å; F197-F216 HydrophobicContact CZ-CD2 4.25Å; F197-F216 HydrophobicContact CZ-CE2 4.18Å
198T93.1Very high94.1Very high41 Ų4140.3 Ų40.325%0.25219%0.194SC..SBendtrans-84.4153.8171.971.20000110.8W194 P195 E200 W201 G202W194-T198 HydrophobicContact CE3-CG2 4.31Å; W194-T198 HydrophobicContact CZ3-CG2 4.09Å; P195-T198 WeakPolarHBondContact O-CG2 3.49Å; P195-T198 PolarHBondContact O-N 3.15Å; P195-T198 VanDerWaalsContact O-N 3.12Å; P195-T198 PolarHBondContact O-OG1 3.12Å; T198-E200 PolarHBondContact O-N 2.85Å; T198-W201 PolarHBondContact O-N 3.31Å; T198-W201 VanDerWaalsContact O-N 3.09Å; T198-G202 PolarHBondContact O-N 3.29Å; T198-G202 VanDerWaalsContact O-N 3.09Å
199E90.1Very high94.1Very high160 Ų16041 Ų4175%0.74820%0.197SC*.Hα-helixtrans-53.4-38.2-179.6-172.9178.7-174.400112.7W201 G202 S203E199-W201 VanDerWaalsContact C-N 3.27Å; E199-W201 PolarHBondContact O-N 3.34Å; E199-G202 PolarHBondContact O-N 3.14Å; E199-G202 VanDerWaalsContact O-N 3.09Å; E199-S203 PolarHBondContact O-N 3.19Å; E199-S203 PolarHBondContact O-OG 3.38Å
200E89.1Confident94.1Very high87 Ų8747.5 Ų47.541%0.40723%0.232SC..Hα-helixtrans-58.3-35.3179.3178.6-179.5-170.300113.8K99 R103 T198K99-E200 WeakPolarHBondContact CD-OE1 3.33Å; K99-E200 VanDerWaalsContact CE-OE1 3.31Å; K99-E200 WeakPolarHBondContact CE-OE1 3.35Å; K99-E200 IonicContact NZ-OE1 3.75Å; K99-E200 PolarHBondContact NZ-OE1 3.09Å; R103-E200 PolarHBondContact NH1-O 2.89Å; T198-E200 PolarHBondContact O-N 2.85Å
201W94.5Very high94.2Very high23 Ų2346.3 Ų46.39%0.08722%0.224CC..Hα-helixtrans-83.4-37.3174.5-72.595.3000111.2L132 E133 T198 E199 W204 R205L132-W201 HydrophobicContact CB-CH2 3.5Å; L132-W201 VanDerWaalsContact CB-CH2 3.5Å; L132-W201 HydrophobicContact CB-CZ2 3.5Å; L132-W201 HydrophobicContact CB-CZ3 4.26Å; L132-W201 HydrophobicContact CD1-CZ2 4.21Å; L132-W201 HydrophobicContact CG-CZ2 4.46Å; E133-W201 HydrophobicContact CB-CZ3 4.43Å; E133-W201 HydrophobicContact CG-CH2 3.98Å; E133-W201 HydrophobicContact CG-CZ3 4.01Å; E133-W201 VanDerWaalsContact N-CH2 3.31Å; E133-W201 WeakPolarHBondContact OE1-CH2 3.44Å; T198-W201 PolarHBondContact O-N 3.31Å; T198-W201 VanDerWaalsContact O-N 3.09Å; E199-W201 VanDerWaalsContact C-N 3.27Å; E199-W201 PolarHBondContact O-N 3.34Å; W201-W204 AromaticContact CE3-CE3 3.78Å; W201-W204 HydrophobicContact CE3-CE3 3.78Å; W201-W204 AromaticContact CE3-CZ3 3.89Å; W201-W204 HydrophobicContact CE3-CZ3 3.89Å; W201-W204 AromaticContact CZ3-CE3 3.91Å; W201-W204 HydrophobicContact CZ3-CE3 3.91Å; W201-W204 AromaticContact CZ3-CZ3 3.66Å; W201-W204 HydrophobicContact CZ3-CZ3 3.66Å; W201-W204 PolarHBondContact O-N 2.04Å; W201-R205 WeakPolarHBondContact O-CB 3.27Å; W201-R205 VanDerWaalsContact O-CG 3.3Å; W201-R205 WeakPolarHBondContact O-CG 3.31Å; W201-R205 PolarHBondContact O-N 3.39Å
202G94.5Very high94.2Very high3 Ų345.3 Ų45.33%0.03122%0.219CC..Hα-helixtrans-61.2-48.5-179.500000113.5T198 E199 W204 R205 Y206 C213T198-G202 PolarHBondContact O-N 3.29Å; T198-G202 VanDerWaalsContact O-N 3.09Å; E199-G202 PolarHBondContact O-N 3.14Å; E199-G202 VanDerWaalsContact O-N 3.09Å; G202-W204 VanDerWaalsContact C-N 3.32Å; G202-W204 PolarHBondContact O-N 3.35Å; G202-R205 PolarHBondContact O-N 2.69Å; G202-Y206 WeakPolarHBondContact O-CB 3.4Å; G202-Y206 PolarHBondContact O-N 3.42Å; G202-C213 WeakPolarHBondContact CA-O 3.37Å
203S94.3Very high94.3Very high48 Ų4846.6 Ų46.634%0.33623%0.229SC..Hα-helixtrans-58.6-44.2177.3-58.60000111.7E199 Y206 E207E199-S203 PolarHBondContact O-N 3.19Å; E199-S203 PolarHBondContact O-OG 3.38Å; S203-Y206 PolarHBondContact O-N 3.05Å; S203-E207 VanDerWaalsContact O-CB 3.23Å; S203-E207 WeakPolarHBondContact O-CB 3.09Å; S203-E207 VanDerWaalsContact O-CG 3.27Å; S203-E207 WeakPolarHBondContact O-CG 3.4Å; S203-E207 PolarHBondContact O-N 3.33Å
204W95.8Very high94.3Very high6 Ų649.1 Ų49.12%0.02324%0.238CC..Hα-helixtrans-65.4-43.2178.7175.962.4000113.1R103 E133 L137 W201 G202 Y206 E208 L209R103-W204 HydrophobicContact CB-CZ2 3.94Å; R103-W204 HydrophobicContact CG-CD2 4.36Å; R103-W204 HydrophobicContact CG-CZ2 4.02Å; R103-W204 VanDerWaalsContact NH1-CB 3.27Å; E133-W204 HydrophobicContact CB-CH2 3.94Å; E133-W204 HydrophobicContact CB-CZ3 4.46Å; E133-W204 HydrophobicContact CG-CH2 4.04Å; E133-W204 HydrophobicContact CG-CZ3 4.44Å; L137-W204 HydrophobicContact CG-CH2 4.24Å; W201-W204 AromaticContact CE3-CE3 3.78Å; W201-W204 HydrophobicContact CE3-CE3 3.78Å; W201-W204 AromaticContact CE3-CZ3 3.89Å; W201-W204 HydrophobicContact CE3-CZ3 3.89Å; W201-W204 AromaticContact CZ3-CE3 3.91Å; W201-W204 HydrophobicContact CZ3-CE3 3.91Å; W201-W204 AromaticContact CZ3-CZ3 3.66Å; W201-W204 HydrophobicContact CZ3-CZ3 3.66Å; W201-W204 PolarHBondContact O-N 2.04Å; G202-W204 VanDerWaalsContact C-N 3.32Å; G202-W204 PolarHBondContact O-N 3.35Å; W204-Y206 VanDerWaalsContact C-N 3.32Å; W204-Y206 PolarHBondContact O-N 3.15Å; W204-E208 WeakPolarHBondContact O-CB 3.37Å; W204-E208 PolarHBondContact O-N 3.12Å; W204-L209 HydrophobicContact CD2-CD1 4.31Å; W204-L209 HydrophobicContact CE3-CD1 4.14Å; W204-L209 HydrophobicContact CH2-CD1 3.68Å; W204-L209 HydrophobicContact CZ2-CD1 3.82Å; W204-L209 HydrophobicContact CZ2-CD2 4.18Å; W204-L209 HydrophobicContact CZ2-CG 4.21Å; W204-L209 HydrophobicContact CZ3-CD1 3.84Å; W204-L209 PolarHBondContact O-N 3.38Å
205R96.9Very high94.3Very high0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-59.6-44.5176.8-76.7175.660.285.71.8111.6S136 E139 W201 G202 L209 N210 L211 S212S136-R205 WeakPolarHBondContact OG-CD 3.33Å; S136-R205 WeakPolarHBondContact OG-CG 3.2Å; S136-R205 PolarHBondContact OG-NH1 3.19Å; E139-R205 VanDerWaalsContact CD-NH2 3.29Å; E139-R205 IonicContact OE1-NH2 2.83Å; E139-R205 PolarHBondContact OE1-NH2 2.97Å; E139-R205 IonicContact OE2-CZ 2.68Å; E139-R205 VanDerWaalsContact OE2-CZ 3.26Å; E139-R205 IonicContact OE2-NH1 2.83Å; E139-R205 PolarHBondContact OE2-NH1 2.79Å; E139-R205 IonicContact OE2-NH2 3.82Å; E139-R205 PolarHBondContact OE2-NH2 3.44Å; W201-R205 WeakPolarHBondContact O-CB 3.27Å; W201-R205 VanDerWaalsContact O-CG 3.3Å; W201-R205 WeakPolarHBondContact O-CG 3.31Å; W201-R205 PolarHBondContact O-N 3.39Å; G202-R205 PolarHBondContact O-N 2.69Å; R205-L209 CarbonylContact O-C 3.55Å; R205-L209 WeakPolarHBondContact O-CB 3.46Å; R205-L209 PolarHBondContact O-N 2.83Å; R205-N210 PolarHBondContact O-N 3.07Å; R205-L211 HydrophobicContact CB-CB 4.28Å; R205-L211 PolarHBondContact O-N 3.33Å; R205-S212 PolarHBondContact NE-O 2.9Å; R205-S212 PolarHBondContact NH2-O 3.37Å
206Y95.2Very high94.3Very high135 Ų13547.7 Ų47.753%0.52923%0.232SC..Hα-helixtrans-73.3-54.4-179-179.2-104.2000112.4G202 S203 W204 N210 L211G202-Y206 WeakPolarHBondContact O-CB 3.4Å; G202-Y206 PolarHBondContact O-N 3.42Å; S203-Y206 PolarHBondContact O-N 3.05Å; W204-Y206 VanDerWaalsContact C-N 3.32Å; W204-Y206 PolarHBondContact O-N 3.15Å; Y206-N210 PolarHBondContact O-N 3.1Å; Y206-L211 WeakPolarHBondContact CA-O 3.33Å
207E94.1Very high94.2Very high138 Ų13847.7 Ų47.765%0.64523%0.232SC*.Hα-helixtrans-75.1-36.4-170-63.3174.9-175.400113.3S203S203-E207 VanDerWaalsContact O-CB 3.23Å; S203-E207 WeakPolarHBondContact O-CB 3.09Å; S203-E207 VanDerWaalsContact O-CG 3.27Å; S203-E207 WeakPolarHBondContact O-CG 3.4Å; S203-E207 PolarHBondContact O-N 3.33Å
208E94.4Very high94.1Very high66 Ų6649.6 Ų49.631%0.30824%0.243SC..Hα-helixtrans-107.2-25.7-173.2-64.8-170.5-135.900114.2W204W204-E208 WeakPolarHBondContact O-CB 3.37Å; W204-E208 PolarHBondContact O-N 3.12Å
209L95.1Very high93.8Very high15 Ų1550.6 Ų50.68%0.07925%0.25CS..Hα-helixtrans-109.6-7.8-176.9-54.5-177000114.2L137 V140 W204 R205 L211L137-L209 HydrophobicContact CD2-CD1 4.46Å; L137-L209 HydrophobicContact CD2-CD2 4.1Å; V140-L209 HydrophobicContact CG2-CB 4.02Å; V140-L209 HydrophobicContact CG2-CD1 4.2Å; V140-L209 HydrophobicContact CG2-CD2 4.43Å; V140-L209 HydrophobicContact CG2-CG 4.46Å; W204-L209 HydrophobicContact CD2-CD1 4.31Å; W204-L209 HydrophobicContact CE3-CD1 4.14Å; W204-L209 HydrophobicContact CH2-CD1 3.68Å; W204-L209 HydrophobicContact CZ2-CD1 3.82Å; W204-L209 HydrophobicContact CZ2-CD2 4.18Å; W204-L209 HydrophobicContact CZ2-CG 4.21Å; W204-L209 HydrophobicContact CZ3-CD1 3.84Å; W204-L209 PolarHBondContact O-N 3.38Å; R205-L209 CarbonylContact O-C 3.55Å; R205-L209 WeakPolarHBondContact O-CB 3.46Å; R205-L209 PolarHBondContact O-N 2.83Å; L209-L211 HydrophobicContact CB-CD1 4.18Å; L209-L211 HydrophobicContact CB-CG 4.03Å; L209-L211 HydrophobicContact CD1-CD1 4.25Å; L209-L211 PolarHBondContact O-N 3.05Å
210N94.2Very high93.6Very high136 Ų13649.2 Ų49.273%0.72725%0.252SS*.  trans53.435.9-173.1-58.4-57000113.4R205 Y206R205-N210 PolarHBondContact O-N 3.07Å; Y206-N210 PolarHBondContact O-N 3.1Å
211L95.2Very high93.6Very high24 Ų2448.9 Ų48.913%0.12626%0.256CS..SBendtrans-100.3170.3171.7-63179.5000110.2E139 V140 R205 Y206 L209E139-L211 HydrophobicContact CB-CD1 4.21Å; E139-L211 HydrophobicContact CG-CD1 4.22Å; E139-L211 HydrophobicContact CG-CD2 4.27Å; V140-L211 HydrophobicContact CG2-CD1 3.77Å; V140-L211 HydrophobicContact CG2-CD2 4.29Å; V140-L211 HydrophobicContact CG2-CG 4.1Å; R205-L211 HydrophobicContact CB-CB 4.28Å; R205-L211 PolarHBondContact O-N 3.33Å; Y206-L211 WeakPolarHBondContact CA-O 3.33Å; L209-L211 HydrophobicContact CB-CD1 4.18Å; L209-L211 HydrophobicContact CB-CG 4.03Å; L209-L211 HydrophobicContact CD1-CD1 4.25Å; L209-L211 PolarHBondContact O-N 3.05Å
212S94.9Very high93.1Very high2 Ų251 Ų511%0.01427%0.27CS..  trans-63.1147.4166.3176.40000110R205 Y214 A217 D222R205-S212 PolarHBondContact NE-O 2.9Å; R205-S212 PolarHBondContact NH2-O 3.37Å; S212-Y214 WeakPolarHBondContact CB-O 3.4Å; S212-Y214 PolarHBondContact O-N 3.15Å; S212-Y214 VanDerWaalsContact O-N 3.1Å; S212-Y214 PolarHBondContact OG-N 2.95Å; S212-Y214 PolarHBondContact OG-O 3.22Å; S212-A217 WeakPolarHBondContact CB-O 3.21Å; S212-A217 WeakPolarHBondContact OG-CB 3.28Å; S212-D222 PolarHBondContact OG-OD1 3.34Å
213C94.7Very high93Very high29 Ų2955.1 Ų55.120%0.19629%0.29CS..SBendtrans-48.9-34.3169.7-67.40000111.9G202G202-C213 WeakPolarHBondContact CA-O 3.37Å
214Y94.5Very high92.9Very high52 Ų5253.1 Ų53.120%0.20428%0.276CS..SBendtrans-115.7139.2-177.7-51.5-68.4000111.2L169 F197 S212 A217L169-Y214 HydrophobicContact CD1-CD1 3.75Å; L169-Y214 HydrophobicContact CD1-CD2 3.85Å; L169-Y214 HydrophobicContact CD1-CE1 3.76Å; L169-Y214 HydrophobicContact CD1-CE2 3.88Å; L169-Y214 HydrophobicContact CD1-CG 3.78Å; L169-Y214 HydrophobicContact CD2-CD2 3.83Å; L169-Y214 HydrophobicContact CD2-CE2 3.53Å; L169-Y214 HydrophobicContact CG-CE2 4.3Å; F197-Y214 HydrophobicContact CD1-CD1 4.25Å; S212-Y214 WeakPolarHBondContact CB-O 3.4Å; S212-Y214 PolarHBondContact O-N 3.15Å; S212-Y214 VanDerWaalsContact O-N 3.1Å; S212-Y214 PolarHBondContact OG-N 2.95Å; S212-Y214 PolarHBondContact OG-O 3.22Å; Y214-A217 PolarHBondContact O-N 3.47Å
215P94.7Very high92.7Very high0 Ų054.9 Ų54.90%029%0.286CS..THydrogen-bonded Turntrans-53.8144167.5-24.533.1000111.6L196 F197 A217L196-P215 HydrophobicContact CB-CG 3.93Å; L196-P215 WeakPolarHBondContact O-CD 3.43Å; F197-P215 HydrophobicContact CE1-CB 4.24Å; F197-P215 HydrophobicContact CE1-CG 4.19Å; F197-P215 HydrophobicContact CZ-CB 4.18Å; F197-P215 HydrophobicContact CZ-CG 4.21Å; P215-A217 PolarHBondContact O-N 3.41Å
216F94.8Very high92.2Very high22 Ų2260 Ų6010%0.09631%0.305CS..THydrogen-bonded Turntrans68.57.2177.3-36.3-61.4000116.1W135 L172 Y175 L176 V184 M193 F197 P224 I225 P230W135-F216 HydrophobicContact CZ2-CE1 4.14Å; W135-F216 AromaticContact CZ2-CZ 3.85Å; W135-F216 HydrophobicContact CZ2-CZ 3.85Å; L172-F216 HydrophobicContact CD1-CB 4.21Å; Y175-F216 HydrophobicContact CE1-CB 3.98Å; Y175-F216 HydrophobicContact CE1-CG 4.4Å; L176-F216 HydrophobicContact CD2-CD2 4.26Å; L176-F216 HydrophobicContact CD2-CE2 4.47Å; V184-F216 HydrophobicContact CB-CZ 4.16Å; V184-F216 HydrophobicContact CG1-CD1 4.24Å; V184-F216 HydrophobicContact CG1-CD2 4.46Å; V184-F216 HydrophobicContact CG1-CE1 3.94Å; V184-F216 HydrophobicContact CG1-CE2 4.16Å; V184-F216 HydrophobicContact CG1-CG 4.48Å; V184-F216 HydrophobicContact CG1-CZ 3.88Å; V184-F216 HydrophobicContact CG2-CE1 4.42Å; V184-F216 HydrophobicContact CG2-CE2 3.75Å; V184-F216 HydrophobicContact CG2-CZ 3.58Å; M193-F216 HydrophobicContact CE-CE2 3.76Å; M193-F216 HydrophobicContact CE-CZ 3.59Å; M193-F216 HydrophobicContact SD-CE2 4.4Å; M193-F216 HydrophobicContact SD-CZ 4.36Å; F197-F216 HydrophobicContact CZ-CD2 4.25Å; F197-F216 HydrophobicContact CZ-CE2 4.18Å; F216-P224 WeakPolarHBondContact O-CA 3.32Å; F216-I225 PolarHBondContact O-N 3Å; F216-P230 HydrophobicContact CD1-CG 3.82Å; F216-P230 HydrophobicContact CE1-CG 3.58Å
217A93.9Very high91.6Very high1 Ų161.2 Ų61.21%0.00832%0.315CS..BIsolated β-bridgetrans-102.9149.6172.500000111.2S212 Y214 P215 L223S212-A217 WeakPolarHBondContact CB-O 3.21Å; S212-A217 WeakPolarHBondContact OG-CB 3.28Å; Y214-A217 PolarHBondContact O-N 3.47Å; P215-A217 PolarHBondContact O-N 3.41Å; A217-L223 CarbonylContact C-O 3.52Å; A217-L223 WeakPolarHBondContact CA-O 3.42Å
218D91.3Very high91.1Very high53 Ų5359.4 Ų59.428%0.28331%0.309SS..  trans-71.7132.8175.9171.7-94.2000110.2V220 T221 D222 L223 I225D218-V220 PolarHBondContact O-N 2.96Å; D218-V220 VanDerWaalsContact O-N 3.12Å; D218-V220 WeakPolarHBondContact OD1-CB 3.13Å; D218-V220 PolarHBondContact OD1-N 3.23Å; D218-T221 WeakPolarHBondContact CB-OG1 3.13Å; D218-T221 PolarHBondContact O-N 3.4Å; D218-T221 PolarHBondContact OD1-N 3.04Å; D218-T221 PolarHBondContact OD1-OG1 3.27Å; D218-D222 VanDerWaalsContact O-CA 3.27Å; D218-D222 WeakPolarHBondContact O-CA 3.43Å; D218-D222 PolarHBondContact O-N 3Å; D218-L223 PolarHBondContact N-O 2.9Å; D218-I225 HydrophobicContact CB-CG1 4.18Å
219P87.1Confident90.9Very high63 Ų6358.3 Ų58.341%0.40930%0.302SS..THydrogen-bonded Turntrans-66.9-14.1-173.526-35.1000114.7
220V87.5Confident90.7Very high130 Ų13059.6 Ų59.679%0.78831%0.311SS*.THydrogen-bonded Turntrans-99.6-39.4-179.4-178.60000111.3D218D218-V220 PolarHBondContact O-N 2.96Å; D218-V220 VanDerWaalsContact O-N 3.12Å; D218-V220 WeakPolarHBondContact OD1-CB 3.13Å; D218-V220 PolarHBondContact OD1-N 3.23Å
221T89.2Confident90.7Very high80 Ų8057.5 Ų57.549%0.49131%0.305SS..THydrogen-bonded Turntrans-104.8-14.2-172.359.90000114D218 L223D218-T221 WeakPolarHBondContact CB-OG1 3.13Å; D218-T221 PolarHBondContact O-N 3.4Å; D218-T221 PolarHBondContact OD1-N 3.04Å; D218-T221 PolarHBondContact OD1-OG1 3.27Å; T221-L223 PolarHBondContact O-N 3.13Å; T221-L223 PolarHBondContact OG1-N 2.95Å
222D83.7Confident90.7Very high69 Ų6957.1 Ų57.137%0.36931%0.305SS..  trans53.513-167.9-71.1-38.7000114.3S212 D218S212-D222 PolarHBondContact OG-OD1 3.34Å; D218-D222 VanDerWaalsContact O-CA 3.27Å; D218-D222 WeakPolarHBondContact O-CA 3.43Å; D218-D222 PolarHBondContact O-N 3Å
223L91.3Very high90.7Very high88 Ų8857.5 Ų57.546%0.46131%0.307SS..  trans-82.9145.5175-65.6178000110A217 D218 T221 I225A217-L223 CarbonylContact C-O 3.52Å; A217-L223 WeakPolarHBondContact CA-O 3.42Å; D218-L223 PolarHBondContact N-O 2.9Å; T221-L223 PolarHBondContact O-N 3.13Å; T221-L223 PolarHBondContact OG1-N 2.95Å; L223-I225 PolarHBondContact O-N 2.77Å
224P92.7Very high90.8Very high7 Ų756.9 Ų56.95%0.04530%0.302CS..BIsolated β-bridgetrans-58.3139.4176.519.7-30.9000112.5D171 L172 Y175 F216 W226D171-P224 HydrophobicContact CB-CG 3.92Å; L172-P224 HydrophobicContact CD1-CB 3.93Å; Y175-P224 HydrophobicContact CD1-CB 4.46Å; Y175-P224 HydrophobicContact CD2-CB 3.85Å; Y175-P224 HydrophobicContact CG-CB 3.78Å; F216-P224 WeakPolarHBondContact O-CA 3.32Å; P224-W226 VanDerWaalsContact C-N 3.28Å; P224-W226 HydrophobicContact CG-CZ2 3.96Å; P224-W226 PolarHBondContact O-N 2.72Å
225I90.8Very high90.9Very high43 Ų4354.4 Ų54.422%0.22129%0.292CS..  trans-79.474.2179.7-51.5175.1000109.3F216 D218 L223 H227 I228F216-I225 PolarHBondContact O-N 3Å; D218-I225 HydrophobicContact CB-CG1 4.18Å; L223-I225 PolarHBondContact O-N 2.77Å; I225-H227 WeakPolarHBondContact CG2-CE1 3.42Å; I225-H227 PolarHBondContact O-N 2.83Å; I225-I228 HydrophobicContact CG2-CB 3.93Å; I225-I228 HydrophobicContact CG2-CD1 4.18Å; I225-I228 HydrophobicContact CG2-CG1 4.18Å; I225-I228 CarbonylContact O-C 3.59Å; I225-I228 PolarHBondContact O-N 2.84Å
226W86.3Confident91.1Very high107 Ų10754.4 Ų54.441%0.40529%0.292SS..THydrogen-bonded Turntrans-55.3-30.2-172-70.496000115.4K174 Y175 P224 I228K174-W226 HydrophobicContact CB-CH2 4.45Å; K174-W226 HydrophobicContact CD-CH2 4.33Å; K174-W226 HydrophobicContact CG-CH2 4.2Å; Y175-W226 HydrophobicContact CD2-CD2 4.07Å; Y175-W226 AromaticContact CD2-CE3 3.89Å; Y175-W226 HydrophobicContact CD2-CE3 3.89Å; Y175-W226 HydrophobicContact CD2-CZ3 4.2Å; P224-W226 VanDerWaalsContact C-N 3.28Å; P224-W226 HydrophobicContact CG-CZ2 3.96Å; P224-W226 PolarHBondContact O-N 2.72Å; W226-I228 VanDerWaalsContact C-N 3.32Å
227H84.2Confident91.2Very high160 Ų16053.4 Ų53.474%0.74129%0.288SS*.THydrogen-bonded Turntrans-79.4-14.6-17861.3-80.4000113.1I225I225-H227 WeakPolarHBondContact CG2-CE1 3.42Å; I225-H227 PolarHBondContact O-N 2.83Å
228I83.5Confident91.3Very high100 Ų10053.5 Ų53.551%0.51329%0.288SS..  trans-123.2109.2177.8-59.5172.7000108.5Y175 I225 W226Y175-I228 PolarHBondContact OH-O 3.42Å; I225-I228 HydrophobicContact CG2-CB 3.93Å; I225-I228 HydrophobicContact CG2-CD1 4.18Å; I225-I228 HydrophobicContact CG2-CG1 4.18Å; I225-I228 CarbonylContact O-C 3.59Å; I225-I228 PolarHBondContact O-N 2.84Å; W226-I228 VanDerWaalsContact C-N 3.32Å
229R89.2Confident91.6Very high43 Ų4351 Ų5116%0.16228%0.275CS..  trans-112.6102.1171.4-74179.2179.7-97.510.1109.1Y175 K183Y175-R229 HydrophobicContact CE2-CG 3.67Å; Y175-R229 PolarHBondContact O-NH1 2.92Å; Y175-R229 PolarHBondContact O-NH2 2.58Å; Y175-R229 WeakPolarHBondContact OH-CG 3.44Å; K183-R229 HydrophobicContact CB-CB 4.36Å; K183-R229 HydrophobicContact CD-CB 4.15Å; K183-R229 WeakPolarHBondContact CD-O 3.31Å; K183-R229 WeakPolarHBondContact CE-O 2.92Å; K183-R229 HydrophobicContact CG-CB 4.19Å; K183-R229 PolarHBondContact NZ-O 2.92Å
230P92.1Very high92Very high42 Ų4248 Ų4827%0.27326%0.255SS..PPolyproline II helixtrans-64.7154176.927-31.2000110V184 F216V184-P230 HydrophobicContact CG1-CG 3.83Å; V184-P230 PolarHBondContact N-O 3.44Å; V184-P230 VanDerWaalsContact N-O 3.09Å; F216-P230 HydrophobicContact CD1-CG 3.82Å; F216-P230 HydrophobicContact CE1-CG 3.58Å
231P93.5Very high92.3Very high92 Ų9247.6 Ų47.660%0.59724%0.243SC*.BIsolated β-bridgetrans-57.8151.4169.928.1-34000109.8G182G182-P231 WeakPolarHBondContact O-CA 3.29Å
232S95.3Very high92.5Very high17 Ų1749.8 Ų49.812%0.11925%0.248CC..PPolyproline II helixtrans-58.2130.7168.91630000108.6G182 D188 S253G182-S232 PolarHBondContact O-N 2.91Å; D188-S232 PolarHBondContact OD1-OG 2.94Å; S232-S253 VanDerWaalsContact OG-CB 3.29Å; S232-S253 WeakPolarHBondContact OG-CB 3.45Å; S232-S253 PolarHBondContact OG-OG 3.05Å
233P94.9Very high93Very high10 Ų1046.7 Ų46.77%0.06523%0.231CC..PPolyproline II helixtrans-67.2137.7-175.625.8-32.3000110.8W135 W192 M193 V235 S253W135-P233 HydrophobicContact CH2-CB 3.89Å; W135-P233 HydrophobicContact CH2-CG 3.82Å; W135-P233 HydrophobicContact CZ3-CB 3.66Å; W135-P233 HydrophobicContact CZ3-CG 3.9Å; W192-P233 HydrophobicContact CZ2-CB 4.19Å; W192-P233 HydrophobicContact CZ2-CG 3.55Å; M193-P233 HydrophobicContact SD-CG 4.31Å; P233-V235 PolarHBondContact O-N 2.79Å; P233-S253 VanDerWaalsContact O-CB 3.29Å; P233-S253 WeakPolarHBondContact O-CB 3.22Å; P233-S253 PolarHBondContact O-OG 3.36Å
234L97Very high93.1Very high16 Ų1642.6 Ų42.68%0.08421%0.21CC..PPolyproline II helixtrans-62.4128.8175.6177.363.3000109.6V146 V147 L236 S253 R255 V505 L506 E509 V510V146-L234 HydrophobicContact CG1-CB 4.06Å; V146-L234 HydrophobicContact CG1-CD2 3.94Å; V146-L234 HydrophobicContact CG1-CG 3.95Å; V146-L234 HydrophobicContact CG2-CB 4.38Å; V146-L234 HydrophobicContact CG2-CD2 4.34Å; V147-L234 PolarHBondContact N-O 2.98Å; L234-L236 HydrophobicContact CD1-CD2 3.72Å; L234-L236 HydrophobicContact CD2-CD2 4.04Å; L234-L236 HydrophobicContact CG-CD2 3.76Å; L234-L236 HydrophobicContact CG-CG 4.28Å; L234-S253 VanDerWaalsContact CD1-O 3.28Å; L234-S253 WeakPolarHBondContact CD1-O 3.39Å; L234-R255 HydrophobicContact CD1-CG 3.79Å; L234-V505 HydrophobicContact CD1-CG1 4.01Å; L234-V505 HydrophobicContact CD2-CG1 4.11Å; L234-L506 HydrophobicContact CD2-CD2 4.41Å; L234-E509 HydrophobicContact CD2-CB 4.21Å; L234-V510 HydrophobicContact CD2-CG2 3.74Å
235V96.6Very high93Very high0 Ų048.3 Ų48.30%024%0.236CC..EExtended strand (participates in β ladder)trans-121.4118.1176.2-175.60000108.9F129 V147 P233 Y237 S253 V254 R255F129-V235 HydrophobicContact CZ-CG1 4.49Å; V147-V235 HydrophobicContact CB-CB 4.47Å; V147-V235 HydrophobicContact CB-CG1 4.25Å; V147-V235 HydrophobicContact CB-CG2 4.2Å; V147-V235 HydrophobicContact CG1-CG1 4.26Å; V147-V235 CarbonylContact O-C 3.25Å; V147-V235 WeakPolarHBondContact O-CA 3.29Å; P233-V235 PolarHBondContact O-N 2.79Å; V235-Y237 HydrophobicContact CG1-CD2 4.39Å; V235-Y237 HydrophobicContact CG1-CE1 4.47Å; V235-Y237 HydrophobicContact CG1-CE2 3.79Å; V235-S253 PolarHBondContact N-O 3.34Å; V235-V254 HydrophobicContact CB-CG2 4.11Å; V235-V254 HydrophobicContact CG2-CG2 4.49Å; V235-V254 CarbonylContact O-C 3.54Å; V235-V254 WeakPolarHBondContact O-CA 3.47Å; V235-R255 PolarHBondContact O-N 3.1Å
236L97.7Very high93Very high0 Ų048.8 Ų48.80%024%0.242CC..EExtended strand (participates in β ladder)trans-103127.7179.3-51.6-176.6000109.9V146 V147 A148 A149 L234 R255 W260 A502 V505 L506V146-L236 HydrophobicContact CG1-CD1 4.32Å; V146-L236 HydrophobicContact CG1-CG 4.26Å; V147-L236 PolarHBondContact O-N 3.1Å; A148-L236 CarbonylContact C-O 3.53Å; A148-L236 WeakPolarHBondContact CA-O 3.14Å; A148-L236 HydrophobicContact CB-CB 4.31Å; A149-L236 PolarHBondContact N-O 2.8Å; L234-L236 HydrophobicContact CD1-CD2 3.72Å; L234-L236 HydrophobicContact CD2-CD2 4.04Å; L234-L236 HydrophobicContact CG-CD2 3.76Å; L234-L236 HydrophobicContact CG-CG 4.28Å; L236-R255 CarbonylContact C-O 3.47Å; L236-R255 WeakPolarHBondContact CA-O 3.2Å; L236-R255 HydrophobicContact CD2-CB 3.78Å; L236-R255 HydrophobicContact CD2-CG 4.25Å; L236-W260 HydrophobicContact CB-CH2 4.16Å; L236-W260 HydrophobicContact CB-CZ2 3.97Å; L236-A502 HydrophobicContact CD1-CB 4.4Å; L236-V505 HydrophobicContact CD2-CB 4.33Å; L236-V505 HydrophobicContact CD2-CG1 3.58Å; L236-L506 HydrophobicContact CD1-CD1 4.38Å; L236-L506 HydrophobicContact CD1-CD2 3.9Å; L236-L506 HydrophobicContact CD1-CG 3.84Å
237Y97.3Very high93.1Very high1 Ų145.5 Ų45.50%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-110131173.6-75.7-63000111.9F129 A149 V153 H191 V235 F239 W250 V254 R255 V256 C257F129-Y237 HydrophobicContact CE2-CE1 4.02Å; F129-Y237 HydrophobicContact CZ-CE1 4.48Å; A149-Y237 HydrophobicContact CB-CD1 3.91Å; A149-Y237 HydrophobicContact CB-CE1 3.92Å; A149-Y237 WeakPolarHBondContact O-CA 3.15Å; V153-Y237 HydrophobicContact CG2-CE1 3.85Å; V153-Y237 WeakPolarHBondContact CG2-OH 3.39Å; H191-Y237 AromaticContact CE1-CE2 3.95Å; H191-Y237 AromaticContact CE1-CZ 3.99Å; H191-Y237 PolarHBondContact CE1-OH 3.2Å; H191-Y237 VanDerWaalsContact CE1-OH 3.25Å; H191-Y237 AromaticContact NE2-CE2 3.43Å; H191-Y237 WeakPolarHBondContact NE2-CE2 2.9Å; H191-Y237 AromaticContact NE2-CZ 3.54Å; H191-Y237 PolarHBondContact NE2-OH 3.23Å; V235-Y237 HydrophobicContact CG1-CD2 4.39Å; V235-Y237 HydrophobicContact CG1-CE1 4.47Å; V235-Y237 HydrophobicContact CG1-CE2 3.79Å; Y237-F239 VanDerWaalsContact C-N 3.33Å; Y237-F239 VanDerWaalsContact CB-CZ 3.4Å; Y237-F239 HydrophobicContact CD1-CD1 4.22Å; Y237-F239 AromaticContact CD1-CE1 3.31Å; Y237-F239 HydrophobicContact CD1-CE1 3.31Å; Y237-F239 AromaticContact CD1-CZ 3.78Å; Y237-F239 HydrophobicContact CD1-CZ 3.78Å; Y237-F239 HydrophobicContact CD2-CE1 4.22Å; Y237-F239 AromaticContact CD2-CZ 3.8Å; Y237-F239 HydrophobicContact CD2-CZ 3.8Å; Y237-F239 HydrophobicContact CE1-CE1 4.15Å; Y237-F239 HydrophobicContact CG-CD1 4.3Å; Y237-F239 AromaticContact CG-CE1 3.37Å; Y237-F239 HydrophobicContact CG-CE1 3.37Å; Y237-F239 HydrophobicContact CG-CE2 4.33Å; Y237-F239 AromaticContact CG-CZ 3.37Å; Y237-F239 HydrophobicContact CG-CZ 3.37Å; Y237-F239 PolarHBondContact O-N 3.33Å; Y237-W250 HydrophobicContact CD2-CH2 4.39Å; Y237-W250 AromaticContact CD2-CZ3 3.96Å; Y237-W250 HydrophobicContact CD2-CZ3 3.96Å; Y237-W250 HydrophobicContact CE2-CE3 4.42Å; Y237-W250 HydrophobicContact CE2-CH2 4.25Å; Y237-W250 AromaticContact CE2-CZ3 3.96Å; Y237-W250 HydrophobicContact CE2-CZ3 3.96Å; Y237-V254 HydrophobicContact CD2-CG1 3.54Å; Y237-V254 HydrophobicContact CE2-CG1 3.54Å; Y237-R255 PolarHBondContact N-O 3.11Å; Y237-V256 HydrophobicContact CD2-CG2 4.27Å; Y237-C257 PolarHBondContact O-N 2.77Å
238G97Very high93.2Very high2 Ų246 Ų462%0.02124%0.243CC..  trans-92.747.9178.400000113.6A149 G258 F259A149-G238 PolarHBondContact O-N 3.31Å; G238-G258 CarbonylContact C-O 3.47Å; G238-G258 VanDerWaalsContact C-O 3.25Å; G238-G258 VanDerWaalsContact CA-O 3.28Å; G238-G258 WeakPolarHBondContact CA-O 3.4Å; G238-F259 VanDerWaalsContact O-CD1 3.31Å; G238-F259 WeakPolarHBondContact O-CD1 3.48Å
239F96Very high93.5Very high0 Ų049.7 Ų49.70%025%0.252CS..SBendtrans-134.5166.9170.251.9-109.8000110V152 Y237 V244 W250 V256 G258 F259 W433V152-F239 HydrophobicContact CB-CE1 4.34Å; V152-F239 HydrophobicContact CG2-CD1 3.73Å; V152-F239 HydrophobicContact CG2-CE1 3.62Å; V152-F239 HydrophobicContact CG2-CG 4.47Å; V152-F239 HydrophobicContact CG2-CZ 4.31Å; Y237-F239 VanDerWaalsContact C-N 3.33Å; Y237-F239 VanDerWaalsContact CB-CZ 3.4Å; Y237-F239 HydrophobicContact CD1-CD1 4.22Å; Y237-F239 AromaticContact CD1-CE1 3.31Å; Y237-F239 HydrophobicContact CD1-CE1 3.31Å; Y237-F239 AromaticContact CD1-CZ 3.78Å; Y237-F239 HydrophobicContact CD1-CZ 3.78Å; Y237-F239 HydrophobicContact CD2-CE1 4.22Å; Y237-F239 AromaticContact CD2-CZ 3.8Å; Y237-F239 HydrophobicContact CD2-CZ 3.8Å; Y237-F239 HydrophobicContact CE1-CE1 4.15Å; Y237-F239 HydrophobicContact CG-CD1 4.3Å; Y237-F239 AromaticContact CG-CE1 3.37Å; Y237-F239 HydrophobicContact CG-CE1 3.37Å; Y237-F239 HydrophobicContact CG-CE2 4.33Å; Y237-F239 AromaticContact CG-CZ 3.37Å; Y237-F239 HydrophobicContact CG-CZ 3.37Å; Y237-F239 PolarHBondContact O-N 3.33Å; F239-V244 HydrophobicContact CB-CG2 4.2Å; F239-V244 HydrophobicContact CD2-CB 3.49Å; F239-V244 VanDerWaalsContact CD2-CB 3.49Å; F239-V244 HydrophobicContact CD2-CG1 3.9Å; F239-V244 HydrophobicContact CD2-CG2 3.71Å; F239-V244 HydrophobicContact CE2-CB 3.62Å; F239-V244 HydrophobicContact CE2-CG1 3.51Å; F239-V244 HydrophobicContact CE2-CG2 4.22Å; F239-V244 HydrophobicContact CG-CB 4.22Å; F239-V244 HydrophobicContact CG-CG2 3.93Å; F239-V244 HydrophobicContact CZ-CB 4.43Å; F239-V244 HydrophobicContact CZ-CG1 3.91Å; F239-W250 HydrophobicContact CE2-CH2 4.41Å; F239-W250 AromaticContact CZ-CH2 3.9Å; F239-W250 HydrophobicContact CZ-CH2 3.9Å; F239-W250 HydrophobicContact CZ-CZ3 4.3Å; F239-V256 HydrophobicContact CD2-CG1 3.54Å; F239-V256 HydrophobicContact CD2-CG2 4.45Å; F239-V256 HydrophobicContact CE2-CB 4.28Å; F239-V256 HydrophobicContact CE2-CG1 3.59Å; F239-V256 HydrophobicContact CE2-CG2 3.65Å; F239-V256 HydrophobicContact CZ-CG2 4.2Å; F239-V256 WeakPolarHBondContact O-CG1 3.45Å; F239-G258 PolarHBondContact N-O 3.22Å; F239-G258 CarbonylContact O-C 3.52Å; F239-G258 WeakPolarHBondContact O-CA 3.49Å; F239-G258 PolarHBondContact O-N 3.25Å; F239-F259 HydrophobicContact CB-CD1 4.28Å; F239-F259 HydrophobicContact CB-CE1 3.86Å; F239-F259 HydrophobicContact CB-CZ 4.3Å; F239-W433 HydrophobicContact CB-CH2 3.86Å; F239-W433 HydrophobicContact CB-CZ2 4.39Å; F239-W433 HydrophobicContact CG-CH2 4.42Å
240S95.8Very high93.6Very high0 Ų049.6 Ų49.60%025%0.252CS..  trans-83.9141.7179171.20000112.4E242 I243 V244 L493 E496S240-E242 PolarHBondContact O-N 3.05Å; S240-E242 WeakPolarHBondContact OG-CB 3.42Å; S240-E242 PolarHBondContact OG-N 3.23Å; S240-E242 VanDerWaalsContact OG-N 3.1Å; S240-I243 PolarHBondContact O-N 2.99Å; S240-V244 PolarHBondContact O-N 3.41Å; S240-L493 VanDerWaalsContact CB-CD2 3.42Å; S240-L493 WeakPolarHBondContact OG-CD2 3.11Å; S240-E496 VanDerWaalsContact CB-OE1 3.29Å; S240-E496 WeakPolarHBondContact CB-OE1 3.34Å; S240-E496 VanDerWaalsContact CB-OE2 3.23Å; S240-E496 WeakPolarHBondContact CB-OE2 3.3Å; S240-E496 PolarHBondContact OG-OE1 3.46Å; S240-E496 PolarHBondContact OG-OE2 3.05Å
241K93.8Very high93.6Very high123 Ų12347.9 Ų47.954%0.53524%0.24SC..THydrogen-bonded Turntrans-67.5-25.6172.2-66.9-177.7-178.6172.70112.9I243 V256K241-I243 PolarHBondContact O-N 3.31Å; K241-V256 HydrophobicContact CB-CG1 4.43Å; K241-V256 HydrophobicContact CD-CB 4.25Å; K241-V256 VanDerWaalsContact CE-O 3.26Å; K241-V256 WeakPolarHBondContact CE-O 3.5Å; K241-V256 HydrophobicContact CG-CB 3.56Å; K241-V256 HydrophobicContact CG-CG1 3.46Å; K241-V256 VanDerWaalsContact CG-CG1 3.46Å; K241-V256 HydrophobicContact CG-CG2 4.43Å
242E93.3Very high93.6Very high126 Ų12649.5 Ų49.559%0.58924%0.243SC*.THydrogen-bonded Turntrans-74-19.8176.6-57.3-58.4139.200111.4S240 I492S240-E242 PolarHBondContact O-N 3.05Å; S240-E242 WeakPolarHBondContact OG-CB 3.42Å; S240-E242 PolarHBondContact OG-N 3.23Å; S240-E242 VanDerWaalsContact OG-N 3.1Å; E242-I492 HydrophobicContact CB-CG2 3.94Å; E242-I492 HydrophobicContact CG-CG2 3.71Å
243I95Very high93.5Very high3 Ų349.2 Ų49.22%0.01524%0.241CC..THydrogen-bonded Turntrans-102.5-42-178-53.3-59.9000111.5S240 K241 F259 L415 W433 K436 M437 L440 I489 L493S240-I243 PolarHBondContact O-N 2.99Å; K241-I243 PolarHBondContact O-N 3.31Å; I243-F259 HydrophobicContact CG1-CE2 4.32Å; I243-L415 HydrophobicContact CD1-CD1 4.36Å; I243-L415 HydrophobicContact CG1-CD1 4.34Å; I243-L415 HydrophobicContact CG2-CD1 4.21Å; I243-W433 HydrophobicContact CG2-CZ3 4.22Å; I243-K436 WeakPolarHBondContact O-CE 3.25Å; I243-M437 HydrophobicContact CG2-CE 3.72Å; I243-L440 HydrophobicContact CD1-CD2 3.75Å; I243-L440 HydrophobicContact CG2-CD2 4.41Å; I243-I489 HydrophobicContact CD1-CD1 4.18Å; I243-I489 HydrophobicContact CD1-CG2 3.55Å; I243-L493 HydrophobicContact CD1-CD2 4.48Å; I243-L493 HydrophobicContact CG1-CD2 4.05Å
244V93.5Very high93.6Very high3 Ų349.7 Ų49.72%0.01824%0.244CC..SBendtrans-113.7121-177177.20000109.6V152 F239 S240 C246 Y432 W433V152-V244 HydrophobicContact CG2-CG1 4.22Å; V152-V244 HydrophobicContact CG2-CG2 4.15Å; F239-V244 HydrophobicContact CB-CG2 4.2Å; F239-V244 HydrophobicContact CD2-CB 3.49Å; F239-V244 VanDerWaalsContact CD2-CB 3.49Å; F239-V244 HydrophobicContact CD2-CG1 3.9Å; F239-V244 HydrophobicContact CD2-CG2 3.71Å; F239-V244 HydrophobicContact CE2-CB 3.62Å; F239-V244 HydrophobicContact CE2-CG1 3.51Å; F239-V244 HydrophobicContact CE2-CG2 4.22Å; F239-V244 HydrophobicContact CG-CB 4.22Å; F239-V244 HydrophobicContact CG-CG2 3.93Å; F239-V244 HydrophobicContact CZ-CB 4.43Å; F239-V244 HydrophobicContact CZ-CG1 3.91Å; S240-V244 PolarHBondContact O-N 3.41Å; V244-C246 PolarHBondContact O-N 3.32Å; V244-C246 PolarHBondContact O-SG 3.33Å; V244-Y432 HydrophobicContact CG2-CE1 4.27Å; V244-W433 HydrophobicContact CG2-CH2 3.62Å; V244-W433 HydrophobicContact CG2-CZ3 3.74Å
245E89.7Confident93.5Very high126 Ų12652.4 Ų52.459%0.58925%0.253SS*.  trans-63.1134.2176.1-72.8159-130.100110.8P247 K436E245-P247 WeakPolarHBondContact O-CD 3.34Å; E245-K436 IonicContact OE1-NZ 2.87Å; E245-K436 PolarHBondContact OE1-NZ 3.32Å
246C90.2Very high93.5Very high53 Ų5353.1 Ų53.136%0.35826%0.257SS..  trans-111.594.6-179.3-59.60000108.6V244 W250 V256V244-C246 PolarHBondContact O-N 3.32Å; V244-C246 PolarHBondContact O-SG 3.33Å; C246-W250 HydrophobicContact CB-CE3 4.49Å; C246-W250 HydrophobicContact CB-CZ3 4.38Å; C246-V256 VanDerWaalsContact SG-CG2 3.54Å
247P89.4Confident93.5Very high39 Ų3953.6 Ų53.625%0.25326%0.26SS..  trans-74.9150-174.230.4-35.6000112.4E245 Y249 W250E245-P247 WeakPolarHBondContact O-CD 3.34Å; P247-Y249 HydrophobicContact CB-CD1 3.68Å; P247-Y249 HydrophobicContact CB-CE1 3.31Å; P247-Y249 HydrophobicContact CB-CE2 4.39Å; P247-Y249 HydrophobicContact CB-CG 4.36Å; P247-Y249 HydrophobicContact CG-CD1 4.14Å; P247-Y249 HydrophobicContact CG-CD2 4.35Å; P247-Y249 HydrophobicContact CG-CE1 3.56Å; P247-Y249 HydrophobicContact CG-CE2 3.78Å; P247-Y249 HydrophobicContact CG-CG 4.5Å; P247-Y249 PolarHBondContact O-N 3.44Å; P247-W250 HydrophobicContact CG-CD2 4.29Å; P247-W250 HydrophobicContact CG-CG 4.13Å; P247-W250 WeakPolarHBondContact O-CB 3.38Å; P247-W250 PolarHBondContact O-N 3.21Å; P247-W250 VanDerWaalsContact O-N 3.07Å
248D87.1Confident93.5Very high170 Ų17053.6 Ų53.691%0.90926%0.261SS*.THydrogen-bonded Turntrans-63-16.7-175.6-64.6-29.9000114.8W250D248-W250 VanDerWaalsContact C-N 3.28Å
249Y88.5Confident93.4Very high177 Ų17753.8 Ų53.869%0.69426%0.261SS*.THydrogen-bonded Turntrans-81.6-5.4177.962.7-105.4000113.5P247P247-Y249 HydrophobicContact CB-CD1 3.68Å; P247-Y249 HydrophobicContact CB-CE1 3.31Å; P247-Y249 HydrophobicContact CB-CE2 4.39Å; P247-Y249 HydrophobicContact CB-CG 4.36Å; P247-Y249 HydrophobicContact CG-CD1 4.14Å; P247-Y249 HydrophobicContact CG-CD2 4.35Å; P247-Y249 HydrophobicContact CG-CE1 3.56Å; P247-Y249 HydrophobicContact CG-CE2 3.78Å; P247-Y249 HydrophobicContact CG-CG 4.5Å; P247-Y249 PolarHBondContact O-N 3.44Å
250W91.2Very high93.5Very high42 Ų4254.4 Ų54.416%0.15926%0.264CS..SBendtrans-65.4149.1171.7-78.310.4000111H191 Y237 F239 C246 P247 D248 L252 V254 V256H191-W250 AromaticContact CE1-CD1 3.83Å; H191-W250 AromaticContact CE1-CD2 3.6Å; H191-W250 AromaticContact CE1-CE2 3.43Å; H191-W250 VanDerWaalsContact CE1-CE2 3.43Å; H191-W250 AromaticContact CE1-CG 3.86Å; H191-W250 AromaticContact CE1-CZ2 3.92Å; H191-W250 AromaticContact CE1-NE1 3.57Å; H191-W250 AromaticContact ND1-CD1 3.66Å; H191-W250 AromaticContact ND1-CE2 3.95Å; H191-W250 AromaticContact ND1-NE1 3.6Å; Y237-W250 HydrophobicContact CD2-CH2 4.39Å; Y237-W250 AromaticContact CD2-CZ3 3.96Å; Y237-W250 HydrophobicContact CD2-CZ3 3.96Å; Y237-W250 HydrophobicContact CE2-CE3 4.42Å; Y237-W250 HydrophobicContact CE2-CH2 4.25Å; Y237-W250 AromaticContact CE2-CZ3 3.96Å; Y237-W250 HydrophobicContact CE2-CZ3 3.96Å; F239-W250 HydrophobicContact CE2-CH2 4.41Å; F239-W250 AromaticContact CZ-CH2 3.9Å; F239-W250 HydrophobicContact CZ-CH2 3.9Å; F239-W250 HydrophobicContact CZ-CZ3 4.3Å; C246-W250 HydrophobicContact CB-CE3 4.49Å; C246-W250 HydrophobicContact CB-CZ3 4.38Å; P247-W250 HydrophobicContact CG-CD2 4.29Å; P247-W250 HydrophobicContact CG-CG 4.13Å; P247-W250 WeakPolarHBondContact O-CB 3.38Å; P247-W250 PolarHBondContact O-N 3.21Å; P247-W250 VanDerWaalsContact O-N 3.07Å; D248-W250 VanDerWaalsContact C-N 3.28Å; W250-L252 PolarHBondContact O-N 2.92Å; W250-V254 HydrophobicContact CB-CG2 4.34Å; W250-V254 HydrophobicContact CE3-CB 4.3Å; W250-V254 HydrophobicContact CE3-CG1 3.55Å; W250-V254 HydrophobicContact CZ3-CG1 3.94Å; W250-V256 HydrophobicContact CZ3-CG2 4.02Å
251P93.1Very high93.3Very high6 Ų657 Ų574%0.03928%0.275CS..  trans-54.3140.5173.6-24.232.4000112D188 H191 S253 V254D188-P251 HydrophobicContact CB-CG 4.42Å; D188-P251 VanDerWaalsContact OD1-CB 3.27Å; D188-P251 WeakPolarHBondContact OD1-CB 3.4Å; D188-P251 WeakPolarHBondContact OD1-CG 3.38Å; H191-P251 HydrophobicContact CB-CG 4.05Å; P251-S253 PolarHBondContact O-N 3.45Å; P251-V254 HydrophobicContact CB-CG2 4.11Å; P251-V254 HydrophobicContact CG-CG2 4.25Å; P251-V254 WeakPolarHBondContact O-CB 3.41Å; P251-V254 WeakPolarHBondContact O-CG2 3.44Å; P251-V254 PolarHBondContact O-N 2.95Å
252L92.9Very high93.2Very high126 Ų12652.6 Ų52.666%0.6626%0.257SS*.THydrogen-bonded Turntrans-62.3-12.9178.2-67175.9000113.7I181 W250 V254 R255I181-L252 HydrophobicContact CG2-CD1 3.65Å; W250-L252 PolarHBondContact O-N 2.92Å; L252-V254 VanDerWaalsContact C-N 3.33Å; L252-R255 PolarHBondContact O-NH1 3.29Å
253S94.3Very high93Very high11 Ų1148.5 Ų48.58%0.07724%0.241CC..THydrogen-bonded Turntrans-82.6-6.9174.4580000113.2S232 P233 L234 V235 P251S232-S253 VanDerWaalsContact OG-CB 3.29Å; S232-S253 WeakPolarHBondContact OG-CB 3.45Å; S232-S253 PolarHBondContact OG-OG 3.05Å; P233-S253 VanDerWaalsContact O-CB 3.29Å; P233-S253 WeakPolarHBondContact O-CB 3.22Å; P233-S253 PolarHBondContact O-OG 3.36Å; L234-S253 VanDerWaalsContact CD1-O 3.28Å; L234-S253 WeakPolarHBondContact CD1-O 3.39Å; V235-S253 PolarHBondContact N-O 3.34Å; P251-S253 PolarHBondContact O-N 3.45Å
254V95.6Very high92.5Very high19 Ų1951.5 Ų51.512%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-75.6136179.1179.40000110.6V235 Y237 W250 P251 L252V235-V254 HydrophobicContact CB-CG2 4.11Å; V235-V254 HydrophobicContact CG2-CG2 4.49Å; V235-V254 CarbonylContact O-C 3.54Å; V235-V254 WeakPolarHBondContact O-CA 3.47Å; Y237-V254 HydrophobicContact CD2-CG1 3.54Å; Y237-V254 HydrophobicContact CE2-CG1 3.54Å; W250-V254 HydrophobicContact CB-CG2 4.34Å; W250-V254 HydrophobicContact CE3-CB 4.3Å; W250-V254 HydrophobicContact CE3-CG1 3.55Å; W250-V254 HydrophobicContact CZ3-CG1 3.94Å; P251-V254 HydrophobicContact CB-CG2 4.11Å; P251-V254 HydrophobicContact CG-CG2 4.25Å; P251-V254 WeakPolarHBondContact O-CB 3.41Å; P251-V254 WeakPolarHBondContact O-CG2 3.44Å; P251-V254 PolarHBondContact O-N 2.95Å; L252-V254 VanDerWaalsContact C-N 3.33Å
255R96.2Very high92Very high74 Ų7454.7 Ų54.728%0.27927%0.272SS..EExtended strand (participates in β ladder)trans-131.6120.1176.6-59.6-72.5-179.5-83.2-11.5109.6L234 V235 L236 Y237 L252 V505 E509L234-R255 HydrophobicContact CD1-CG 3.79Å; V235-R255 PolarHBondContact O-N 3.1Å; L236-R255 CarbonylContact C-O 3.47Å; L236-R255 WeakPolarHBondContact CA-O 3.2Å; L236-R255 HydrophobicContact CD2-CB 3.78Å; L236-R255 HydrophobicContact CD2-CG 4.25Å; Y237-R255 PolarHBondContact N-O 3.11Å; L252-R255 PolarHBondContact O-NH1 3.29Å; R255-V505 HydrophobicContact CB-CG1 4.28Å; R255-V505 HydrophobicContact CG-CG1 3.84Å; R255-E509 IonicContact CZ-OE1 3.89Å; R255-E509 VanDerWaalsContact CZ-OE1 3.29Å; R255-E509 IonicContact CZ-OE2 3.06Å; R255-E509 IonicContact NE-OE1 2.66Å; R255-E509 PolarHBondContact NE-OE1 3.4Å; R255-E509 IonicContact NE-OE2 2.66Å; R255-E509 VanDerWaalsContact NH2-CD 3.35Å; R255-E509 IonicContact NH2-OE1 2.71Å; R255-E509 PolarHBondContact NH2-OE1 3.03Å; R255-E509 IonicContact NH2-OE2 3.63Å; R255-E509 PolarHBondContact NH2-OE2 3.46Å
256V96.5Very high91.9Very high14 Ų1449.2 Ų49.29%0.08525%0.246CC..EExtended strand (participates in β ladder)trans-94.4118.1171.2179.60000107.7Y237 F239 K241 C246 W250Y237-V256 HydrophobicContact CD2-CG2 4.27Å; F239-V256 HydrophobicContact CD2-CG1 3.54Å; F239-V256 HydrophobicContact CD2-CG2 4.45Å; F239-V256 HydrophobicContact CE2-CB 4.28Å; F239-V256 HydrophobicContact CE2-CG1 3.59Å; F239-V256 HydrophobicContact CE2-CG2 3.65Å; F239-V256 HydrophobicContact CZ-CG2 4.2Å; F239-V256 WeakPolarHBondContact O-CG1 3.45Å; K241-V256 HydrophobicContact CB-CG1 4.43Å; K241-V256 HydrophobicContact CD-CB 4.25Å; K241-V256 VanDerWaalsContact CE-O 3.26Å; K241-V256 WeakPolarHBondContact CE-O 3.5Å; K241-V256 HydrophobicContact CG-CB 3.56Å; K241-V256 HydrophobicContact CG-CG1 3.46Å; K241-V256 VanDerWaalsContact CG-CG1 3.46Å; K241-V256 HydrophobicContact CG-CG2 4.43Å; C246-V256 VanDerWaalsContact SG-CG2 3.54Å; W250-V256 HydrophobicContact CZ3-CG2 4.02Å
257C97Very high91.7Very high10 Ų1048 Ų487%0.06824%0.235CC..  trans-100.6-14.9-165.8-58.80000113Y237 G498 E501 A502Y237-C257 PolarHBondContact O-N 2.77Å; C257-G498 WeakPolarHBondContact O-CA 3.46Å; C257-E501 HydrophobicContact CB-CB 4.26Å; C257-E501 HydrophobicContact CB-CG 4.05Å; C257-A502 HydrophobicContact CB-CB 4.24Å
258G96.9Very high91.5Very high2 Ų247 Ų472%0.02123%0.227CC..  trans96.9167.9-163.700000111.3G238 F239 W260 E496G238-G258 CarbonylContact C-O 3.47Å; G238-G258 VanDerWaalsContact C-O 3.25Å; G238-G258 VanDerWaalsContact CA-O 3.28Å; G238-G258 WeakPolarHBondContact CA-O 3.4Å; F239-G258 PolarHBondContact N-O 3.22Å; F239-G258 CarbonylContact O-C 3.52Å; F239-G258 WeakPolarHBondContact O-CA 3.49Å; F239-G258 PolarHBondContact O-N 3.25Å; G258-W260 VanDerWaalsContact O-CD1 3.28Å; G258-W260 PolarHBondContact O-NE1 3.23Å; G258-E496 VanDerWaalsContact CA-OE2 3.26Å; G258-E496 WeakPolarHBondContact CA-OE2 3.46Å
259F96.3Very high91Very high5 Ų541.7 Ų41.72%0.02220%0.203CC..  trans-66139.8-178.4-71-70.2000112.7G238 F239 I243 F261 A412 L415 W433 L493 G498G238-F259 VanDerWaalsContact O-CD1 3.31Å; G238-F259 WeakPolarHBondContact O-CD1 3.48Å; F239-F259 HydrophobicContact CB-CD1 4.28Å; F239-F259 HydrophobicContact CB-CE1 3.86Å; F239-F259 HydrophobicContact CB-CZ 4.3Å; I243-F259 HydrophobicContact CG1-CE2 4.32Å; F259-F261 HydrophobicContact CB-CD2 4.13Å; F259-F261 HydrophobicContact CB-CE1 4.3Å; F259-F261 HydrophobicContact CB-CE2 3.52Å; F259-F261 HydrophobicContact CB-CZ 3.6Å; F259-F261 HydrophobicContact CD2-CZ 4.36Å; F259-F261 HydrophobicContact CG-CE2 4.5Å; F259-F261 HydrophobicContact CG-CZ 4.23Å; F259-F261 PolarHBondContact O-N 3.08Å; F259-A412 HydrophobicContact CB-CB 4.02Å; F259-A412 HydrophobicContact CD1-CB 3.29Å; F259-A412 HydrophobicContact CD2-CB 4.1Å; F259-A412 HydrophobicContact CE1-CB 3.63Å; F259-A412 HydrophobicContact CE2-CB 4.39Å; F259-A412 HydrophobicContact CG-CB 3.54Å; F259-A412 HydrophobicContact CZ-CB 4.17Å; F259-L415 HydrophobicContact CE2-CD1 4.04Å; F259-L415 HydrophobicContact CZ-CD1 4.05Å; F259-W433 HydrophobicContact CE1-CH2 4.2Å; F259-W433 HydrophobicContact CZ-CH2 4.36Å; F259-L493 HydrophobicContact CD2-CD1 4.28Å; F259-L493 HydrophobicContact CD2-CD2 4.34Å; F259-L493 HydrophobicContact CE2-CD1 4.04Å; F259-L493 HydrophobicContact CE2-CD2 4.29Å; F259-G498 WeakPolarHBondContact O-CA 3.37Å; F259-G498 PolarHBondContact O-N 3Å
260W96.4Very high90.5Very high14 Ų1433.9 Ų33.95%0.05317%0.174CC..  trans-94.179.1-179.5-61-16000111.1P25 L26 I29 A148 P150 L236 G258 G498 V499 A502P25-W260 HydrophobicContact CB-CB 3.87Å; P25-W260 HydrophobicContact CB-CE3 3.81Å; L26-W260 HydrophobicContact CD1-CE3 4.17Å; L26-W260 HydrophobicContact CD1-CZ3 3.64Å; I29-W260 HydrophobicContact CD1-CD2 3.55Å; I29-W260 HydrophobicContact CD1-CE3 3.59Å; I29-W260 HydrophobicContact CD1-CG 4.2Å; I29-W260 HydrophobicContact CD1-CH2 3.96Å; I29-W260 HydrophobicContact CD1-CZ2 3.88Å; I29-W260 HydrophobicContact CD1-CZ3 3.81Å; I29-W260 HydrophobicContact CG1-CD2 4.44Å; A148-W260 HydrophobicContact CB-CH2 3.73Å; A148-W260 HydrophobicContact CB-CZ3 4.12Å; P150-W260 HydrophobicContact CB-CE3 3.74Å; P150-W260 HydrophobicContact CB-CZ3 4.04Å; P150-W260 HydrophobicContact CG-CE3 4.48Å; P150-W260 HydrophobicContact CG-CZ3 4.46Å; L236-W260 HydrophobicContact CB-CH2 4.16Å; L236-W260 HydrophobicContact CB-CZ2 3.97Å; G258-W260 VanDerWaalsContact O-CD1 3.28Å; G258-W260 PolarHBondContact O-NE1 3.23Å; W260-G498 VanDerWaalsContact CD1-O 3.26Å; W260-G498 PolarHBondContact NE1-O 3.13Å; W260-V499 HydrophobicContact CB-CG2 4.07Å; W260-A502 HydrophobicContact CZ2-CB 4.35Å
261F93.2Very high89.6Confident54 Ų5437.6 Ų37.624%0.23720%0.197CC..PPolyproline II helixtrans-70141.3178.5-64.2-70.9000111.9F259 A412 Q416F259-F261 HydrophobicContact CB-CD2 4.13Å; F259-F261 HydrophobicContact CB-CE1 4.3Å; F259-F261 HydrophobicContact CB-CE2 3.52Å; F259-F261 HydrophobicContact CB-CZ 3.6Å; F259-F261 HydrophobicContact CD2-CZ 4.36Å; F259-F261 HydrophobicContact CG-CE2 4.5Å; F259-F261 HydrophobicContact CG-CZ 4.23Å; F259-F261 PolarHBondContact O-N 3.08Å; F261-A412 HydrophobicContact CE1-CB 3.76Å; F261-A412 HydrophobicContact CZ-CB 4.04Å; F261-Q416 HydrophobicContact CE1-CB 4.01Å; F261-Q416 HydrophobicContact CE1-CG 4.44Å; F261-Q416 HydrophobicContact CE2-CB 4.47Å; F261-Q416 HydrophobicContact CE2-CG 4.38Å; F261-Q416 VanDerWaalsContact CE2-NE2 3.27Å; F261-Q416 HydrophobicContact CZ-CB 3.69Å; F261-Q416 HydrophobicContact CZ-CG 4.04Å
262L91.5Very high88.7Confident30 Ų3044 Ų4416%0.15723%0.227CC..PPolyproline II helixtrans-81.3147.8178-55.3179.3000110.5Y24 A28 Q267Y24-L262 VanDerWaalsContact C-CD2 3.46Å; Y24-L262 HydrophobicContact CD1-CD1 3.91Å; Y24-L262 HydrophobicContact CG-CD1 4.3Å; Y24-L262 WeakPolarHBondContact O-CD2 3.5Å; A28-L262 HydrophobicContact CB-CD2 4.08Å; L262-Q267 HydrophobicContact CB-CG 3.97Å; L262-Q267 HydrophobicContact CD1-CG 4.19Å; L262-Q267 PolarHBondContact O-NE2 3.13Å
263P88.6Confident87.8Confident40 Ų4038.2 Ų38.226%0.2620%0.197SC..PPolyproline II helixtrans-54.3141.8166.7-22.433.3000110.9E265 W266 Q267P263-E265 HydrophobicContact CB-CG 3.9Å; P263-E265 WeakPolarHBondContact CB-OE1 3.15Å; P263-E265 VanDerWaalsContact CB-OE2 3.26Å; P263-E265 WeakPolarHBondContact CB-OE2 3.4Å; P263-E265 PolarHBondContact O-N 3.23Å; P263-W266 HydrophobicContact CB-CD2 4.46Å; P263-W266 HydrophobicContact CB-CG 4.25Å; P263-W266 HydrophobicContact CG-CD2 4.08Å; P263-W266 HydrophobicContact CG-CG 4.38Å; P263-W266 HydrophobicContact CG-CZ2 4.36Å; P263-W266 PolarHBondContact O-N 3.49Å; P263-W266 VanDerWaalsContact O-N 3.15Å; P263-Q267 PolarHBondContact O-NE2 3.27Å
264N84.6Confident86.6Confident66 Ų6638.2 Ų38.235%0.35320%0.198SC..G310 helixtrans-59.4-39.1-176.9-76.5-7.9000111W266 Q267 F268 P391 N393N264-W266 PolarHBondContact O-N 2.96Å; N264-W266 VanDerWaalsContact O-N 3.1Å; N264-Q267 PolarHBondContact O-N 3.36Å; N264-F268 VanDerWaalsContact O-CD2 3.27Å; N264-F268 WeakPolarHBondContact O-CD2 3.36Å; N264-P391 HydrophobicContact CB-CG 4.15Å; N264-N393 PolarHBondContact OD1-ND2 3.02Å; N264-N393 PolarHBondContact OD1-OD1 2.81Å
265E82.8Confident85.3Confident70 Ų7042 Ų4233%0.32722%0.218SC..G310 helixtrans-57.6-24.6-18059.6-100.6-141.900114.1H56 P263 G274H56-E265 PolarHBondContact CE1-O 3.44Å; P263-E265 HydrophobicContact CB-CG 3.9Å; P263-E265 WeakPolarHBondContact CB-OE1 3.15Å; P263-E265 VanDerWaalsContact CB-OE2 3.26Å; P263-E265 WeakPolarHBondContact CB-OE2 3.4Å; P263-E265 PolarHBondContact O-N 3.23Å; E265-G274 WeakPolarHBondContact CA-O 3.25Å; E265-G274 WeakPolarHBondContact CB-O 3.47Å
266W87.4Confident83.9Confident12 Ų1240.4 Ų40.45%0.04522%0.215CC..G310 helixtrans-88.8-10.6-178.3-60.77.9000113A27 A28 A31 L53 H56 L57 P263 N264A27-W266 HydrophobicContact CB-CH2 4.48Å; A27-W266 HydrophobicContact CB-CZ3 3.92Å; A28-W266 HydrophobicContact CB-CZ3 4.2Å; A31-W266 HydrophobicContact CB-CH2 3.75Å; A31-W266 HydrophobicContact CB-CZ2 3.91Å; L53-W266 HydrophobicContact CD2-CE3 3.97Å; L53-W266 HydrophobicContact CD2-CZ3 4.14Å; H56-W266 HydrophobicContact CB-CD2 4.03Å; H56-W266 HydrophobicContact CB-CG 4.16Å; H56-W266 HydrophobicContact CB-CZ2 3.96Å; H56-W266 AromaticContact CD2-CD1 3.91Å; H56-W266 AromaticContact CE1-CD1 3.74Å; H56-W266 AromaticContact CG-CD1 3.34Å; H56-W266 AromaticContact CG-CG 3.82Å; H56-W266 AromaticContact CG-NE1 3.65Å; H56-W266 AromaticContact ND1-CD1 3.22Å; H56-W266 AromaticContact ND1-NE1 3.72Å; L57-W266 HydrophobicContact CD2-CH2 4Å; P263-W266 HydrophobicContact CB-CD2 4.46Å; P263-W266 HydrophobicContact CB-CG 4.25Å; P263-W266 HydrophobicContact CG-CD2 4.08Å; P263-W266 HydrophobicContact CG-CG 4.38Å; P263-W266 HydrophobicContact CG-CZ2 4.36Å; P263-W266 PolarHBondContact O-N 3.49Å; P263-W266 VanDerWaalsContact O-N 3.15Å; N264-W266 PolarHBondContact O-N 2.96Å; N264-W266 VanDerWaalsContact O-N 3.1Å
267Q87.1Confident82.1Confident27 Ų2744.8 Ų44.813%0.12624%0.243CC..THydrogen-bonded Turntrans-100.1-10.4-172.8-63179.775.800112.3L262 P263 N264 M389 V390 P391L262-Q267 HydrophobicContact CB-CG 3.97Å; L262-Q267 HydrophobicContact CD1-CG 4.19Å; L262-Q267 PolarHBondContact O-NE2 3.13Å; P263-Q267 PolarHBondContact O-NE2 3.27Å; N264-Q267 PolarHBondContact O-N 3.36Å; Q267-M389 CarbonylContact O-C 3.59Å; Q267-M389 WeakPolarHBondContact O-CB 3.37Å; Q267-V390 CarbonylContact O-C 3.53Å; Q267-V390 WeakPolarHBondContact O-CA 3.5Å; Q267-V390 PolarHBondContact O-N 3.48Å; Q267-P391 HydrophobicContact CB-CB 4.08Å; Q267-P391 HydrophobicContact CB-CG 3.92Å
268F83.6Confident80.2Confident18 Ų1849.2 Ų49.28%0.07926%0.262CS..  trans-82.8142.7173.2-71.2-75.3000111.9N264 C270 C273 A279 H293 M389 V390 P391N264-F268 VanDerWaalsContact O-CD2 3.27Å; N264-F268 WeakPolarHBondContact O-CD2 3.36Å; F268-C270 VanDerWaalsContact C-N 3.32Å; F268-C273 HydrophobicContact CD1-CB 3.99Å; F268-C273 WeakPolarHBondContact CD2-O 3.35Å; F268-C273 HydrophobicContact CE1-CB 4.19Å; F268-C273 WeakPolarHBondContact CE2-O 3.32Å; F268-C273 HydrophobicContact CG-CB 4.21Å; F268-A279 HydrophobicContact CE2-CB 4.13Å; F268-A279 HydrophobicContact CZ-CB 3.83Å; F268-H293 AromaticContact CD1-CE1 3.7Å; F268-M389 CarbonylContact C-O 3.59Å; F268-M389 WeakPolarHBondContact CA-O 3.35Å; F268-V390 HydrophobicContact CD1-CB 4.37Å; F268-V390 HydrophobicContact CD1-CG1 4.11Å; F268-V390 HydrophobicContact CE1-CB 4.32Å; F268-V390 HydrophobicContact CE1-CG1 4.21Å; F268-P391 HydrophobicContact CD1-CG 4.43Å; F268-P391 HydrophobicContact CD2-CG 3.83Å; F268-P391 HydrophobicContact CE1-CG 4.03Å; F268-P391 HydrophobicContact CE2-CG 3.37Å; F268-P391 HydrophobicContact CG-CG 4.36Å; F268-P391 HydrophobicContact CZ-CG 3.49Å; F268-P391 VanDerWaalsContact CZ-CG 3.49Å
269S77Confident78.2Confident59 Ų5949.7 Ų49.741%0.41327%0.266SS..SBendtrans-76.5-17.4168.5-71.70000114.1G388 M389S269-G388 WeakPolarHBondContact OG-CA 3.48Å; S269-M389 PolarHBondContact N-O 2.81Å; S269-M389 WeakPolarHBondContact OG-CB 3.39Å; S269-M389 PolarHBondContact OG-N 2.93Å
270C77.9Confident76.1Confident12 Ų1250.3 Ų50.38%0.08127%0.273CS..SBendtrans-99.7139.7175.655.30000109.9F268 C273 G274 H293F268-C270 VanDerWaalsContact C-N 3.32Å; C270-C273 WeakPolarHBondContact CB-SG 3.29Å; C270-C273 VanDerWaalsContact SG-CA 3.59Å; C270-C273 WeakPolarHBondContact SG-CB 3.37Å; C270-C273 PolarHBondContact SG-N 3.44Å; C270-C273 CovalentContact SG-SG 2.04Å; C270-C273 PolarHBondContact SG-SG 2.76Å; C270-G274 PolarHBondContact O-N 3.13Å; C270-G274 VanDerWaalsContact O-N 3.14Å; C270-H293 PolarHBondContact SG-CE1 2.73Å; C270-H293 PolarHBondContact SG-ND1 2.92Å; C270-H293 VanDerWaalsContact SG-ND1 3.38Å
271N73.6Confident74.1Confident120 Ų12057 Ų5764%0.64230%0.299SS*.Hα-helixtrans-66.9-40.3168-68.1-22.1000111.3C273 G274 D275N271-C273 VanDerWaalsContact C-N 3.35Å; N271-C273 PolarHBondContact O-N 3.12Å; N271-G274 WeakPolarHBondContact O-CA 3.41Å; N271-G274 PolarHBondContact O-N 2.86Å; N271-G274 VanDerWaalsContact O-N 3.09Å; N271-D275 PolarHBondContact O-N 3.09Å
272E73.7Confident71.9Confident141 Ų14158.1 Ų58.166%0.65931%0.306SS*.Hα-helixtrans-56.7-45-177-66.8-174.5165.900113.3N276 C290E272-N276 WeakPolarHBondContact O-CB 3.32Å; E272-N276 PolarHBondContact O-N 3.24Å; E272-C290 HydrophobicContact CB-CB 4.41Å; E272-C290 VanDerWaalsContact OE2-CB 3.32Å; E272-C290 WeakPolarHBondContact OE2-CB 3.28Å
273C73.5Confident69.6Low5 Ų560.6 Ų60.63%0.03434%0.339CS..Hα-helixtrans-83.8-23.1178.8-7.30000111.8F268 C270 N271 A279 C290 H293F268-C273 HydrophobicContact CD1-CB 3.99Å; F268-C273 WeakPolarHBondContact CD2-O 3.35Å; F268-C273 HydrophobicContact CE1-CB 4.19Å; F268-C273 WeakPolarHBondContact CE2-O 3.32Å; F268-C273 HydrophobicContact CG-CB 4.21Å; C270-C273 WeakPolarHBondContact CB-SG 3.29Å; C270-C273 VanDerWaalsContact SG-CA 3.59Å; C270-C273 WeakPolarHBondContact SG-CB 3.37Å; C270-C273 PolarHBondContact SG-N 3.44Å; C270-C273 CovalentContact SG-SG 2.04Å; C270-C273 PolarHBondContact SG-SG 2.76Å; N271-C273 VanDerWaalsContact C-N 3.35Å; N271-C273 PolarHBondContact O-N 3.12Å; C273-A279 HydrophobicContact CB-CB 3.95Å; C273-A279 WeakPolarHBondContact O-CB 3.2Å; C273-C290 PolarHBondContact SG-SG 3.32Å; C273-H293 PolarHBondContact SG-ND1 2.77Å
274G69.4Low67.4Low10 Ų1061.5 Ų61.510%0.10334%0.344CS..Hα-helixtrans-63.7-41.8168.700000112.5E265 C270 N271E265-G274 WeakPolarHBondContact CA-O 3.25Å; E265-G274 WeakPolarHBondContact CB-O 3.47Å; C270-G274 PolarHBondContact O-N 3.13Å; C270-G274 VanDerWaalsContact O-N 3.14Å; N271-G274 WeakPolarHBondContact O-CA 3.41Å; N271-G274 PolarHBondContact O-N 2.86Å; N271-G274 VanDerWaalsContact O-N 3.09Å
275D67.8Low65.5Low100 Ų10066.8 Ų66.854%0.53537%0.372SS..Hα-helixtrans-84.6-9.8-177.9-69-38000113.3K59 N271 P277K59-D275 IonicContact NZ-OD1 2.73Å; K59-D275 PolarHBondContact NZ-OD1 3.34Å; K59-D275 IonicContact NZ-OD2 3.81Å; N271-D275 PolarHBondContact O-N 3.09Å; D275-P277 WeakPolarHBondContact O-CD 3.47Å
276N66.9Low63.7Low39 Ų3968.9 Ų68.921%0.20939%0.385CS..  trans-87.4112.2177.6-178.5-3.4000111.2E272 F278 A279E272-N276 WeakPolarHBondContact O-CB 3.32Å; E272-N276 PolarHBondContact O-N 3.24Å; N276-F278 PolarHBondContact O-N 3.26Å; N276-F278 VanDerWaalsContact O-N 3.11Å; N276-F278 WeakPolarHBondContact OD1-CB 3.21Å; N276-F278 PolarHBondContact OD1-N 3.44Å; N276-A279 HydrophobicContact CB-CB 3.99Å; N276-A279 VanDerWaalsContact O-CB 3.28Å; N276-A279 WeakPolarHBondContact O-CB 3.32Å; N276-A279 PolarHBondContact O-N 3.47Å
277P58.8Low62.1Low106 Ų10670 Ų7069%0.68840%0.396SS*.THydrogen-bonded Turntrans-66.3-14.9-179.927.2-33.9000113.9D275D275-P277 WeakPolarHBondContact O-CD 3.47Å
278F56.3Low60.6Low103 Ų10376.4 Ų76.445%0.45243%0.425SS..THydrogen-bonded Turntrans-95-8174.7-54.8-76.7000113.1N276 G280 R281N276-F278 PolarHBondContact O-N 3.26Å; N276-F278 VanDerWaalsContact O-N 3.11Å; N276-F278 WeakPolarHBondContact OD1-CB 3.21Å; N276-F278 PolarHBondContact OD1-N 3.44Å; F278-G280 PolarHBondContact O-N 2.99Å; F278-R281 PolarHBondContact O-N 2.83Å
279A56Low59.7Low13 Ų1377.5 Ų77.511%0.10743%0.433CS..THydrogen-bonded Turntrans-60.2126.517600000110F268 C273 N276F268-A279 HydrophobicContact CE2-CB 4.13Å; F268-A279 HydrophobicContact CZ-CB 3.83Å; C273-A279 HydrophobicContact CB-CB 3.95Å; C273-A279 WeakPolarHBondContact O-CB 3.2Å; N276-A279 HydrophobicContact CB-CB 3.99Å; N276-A279 VanDerWaalsContact O-CB 3.28Å; N276-A279 WeakPolarHBondContact O-CB 3.32Å; N276-A279 PolarHBondContact O-N 3.47Å
280G52.4Low59.6Low17 Ų1775.2 Ų75.218%0.17542%0.417CS..THydrogen-bonded Turntrans86.77.7-173.400000115.3F278 L282 Y297 W394F278-G280 PolarHBondContact O-N 2.99Å; G280-L282 PolarHBondContact O-N 3.34Å; G280-Y297 WeakPolarHBondContact CA-OH 3.42Å; G280-Y297 PolarHBondContact N-OH 3.24Å; G280-W394 VanDerWaalsContact C-CD1 3.44Å; G280-W394 PolarHBondContact O-NE1 3.38Å
281R53.3Low59.5Low156 Ų15679 Ų7959%0.58944%0.444SS*.  trans-90.298.7162.5-68.2-165.7-174.8-145.72.2109.5F278F278-R281 PolarHBondContact O-N 2.83Å
282L47.2Very low59.7Low77 Ų7776.6 Ų76.640%0.40343%0.431SS..THydrogen-bonded Turntrans-69.7131170-92145.8000109.7G280 I300 W394 T398G280-L282 PolarHBondContact O-N 3.34Å; L282-I300 HydrophobicContact CD1-CG2 4.39Å; L282-W394 HydrophobicContact CD1-CZ2 4Å; L282-T398 HydrophobicContact CD1-CG2 3.19Å
283G43.3Very low60.1Low81 Ų8169.9 Ų69.984%0.83540%0.4SS*.THydrogen-bonded Turntrans98.16.3173.100000116.4
284T43.1Very low60.6Low59 Ų5972.4 Ų72.436%0.36242%0.415SS..  trans-105.2129.4165.853.50000109D286 S287T284-D286 PolarHBondContact O-N 3.01Å; T284-S287 PolarHBondContact O-N 3.35Å
285D44.8Very low61.4Low177 Ų17776.9 Ų76.995%0.94743%0.433SS*.THydrogen-bonded Turntrans-51.7-19.5-178.9-83.5-26.1000113.9
286D44.8Very low62.4Low114 Ų11472.1 Ų72.161%0.6141%0.407SS*.THydrogen-bonded Turntrans-89.710-178.9-63.2-35.8000115.2T284 H288T284-D286 PolarHBondContact O-N 3.01Å; D286-H288 PolarHBondContact O-N 2.8Å
287S54.6Low63.2Low37 Ų3770.9 Ų70.926%0.25940%0.4SS..  trans-74.373.1175.773.90000110.9T284 T289T284-S287 PolarHBondContact O-N 3.35Å; S287-T289 PolarHBondContact O-N 3.45Å
288H55.4Low64.6Low161 Ų16169.9 Ų69.975%0.74539%0.392SS*.  trans-60.9101168.8-92.6-66.5000109.3D286D286-H288 PolarHBondContact O-N 2.8Å
289T63.7Low66.2Low40 Ų4065.4 Ų65.425%0.24537%0.373CS..  trans-84.9125.3171.856.70000108.4S287 T294 Y297S287-T289 PolarHBondContact O-N 3.45Å; T289-T294 PolarHBondContact O-OG1 3.45Å; T289-T294 PolarHBondContact OG1-OG1 3.29Å; T289-Y297 HydrophobicContact CG2-CD1 3.52Å; T289-Y297 HydrophobicContact CG2-CD2 3.47Å; T289-Y297 VanDerWaalsContact CG2-CD2 3.47Å; T289-Y297 HydrophobicContact CG2-CE1 3.69Å; T289-Y297 HydrophobicContact CG2-CE2 3.66Å; T289-Y297 HydrophobicContact CG2-CG 3.4Å
290C75.5Confident67.8Low11 Ų1165.2 Ų65.27%0.07437%0.369CS..  trans-62165.617580.70000110.8E272 C273 N292 H293 T294E272-C290 HydrophobicContact CB-CB 4.41Å; E272-C290 VanDerWaalsContact OE2-CB 3.32Å; E272-C290 WeakPolarHBondContact OE2-CB 3.28Å; C273-C290 PolarHBondContact SG-SG 3.32Å; C290-N292 PolarHBondContact O-N 3.36Å; C290-N292 VanDerWaalsContact O-N 3.1Å; C290-N292 PolarHBondContact SG-N 2.97Å; C290-N292 VanDerWaalsContact SG-N 3.38Å; C290-H293 PolarHBondContact O-N 3.04Å; C290-T294 PolarHBondContact O-N 2.88Å; C290-T294 PolarHBondContact O-OG1 3.14Å
291S75.7Confident69.4Low93 Ų9367.7 Ų67.765%0.6538%0.384SS*.Hα-helixtrans-53-34.5177.955.90000113.1H293S291-H293 VanDerWaalsContact C-N 3.29Å; S291-H293 PolarHBondContact O-N 3.35Å
292N76.8Confident71Confident68 Ų6863.4 Ų63.436%0.36438%0.378SS..Hα-helixtrans-73.2-20.4-178.2-60.2-13.4000113.3C290C290-N292 PolarHBondContact O-N 3.36Å; C290-N292 VanDerWaalsContact O-N 3.1Å; C290-N292 PolarHBondContact SG-N 2.97Å; C290-N292 VanDerWaalsContact SG-N 3.38Å
293H82.6Confident72.6Confident1 Ų160.1 Ų60.11%0.00536%0.362CS..Hα-helixtrans-111.2-14.3-178.1-64.3146.1000113.6F268 C270 C273 C290 S291 E295 L296 Y297 F386F268-H293 AromaticContact CD1-CE1 3.7Å; C270-H293 PolarHBondContact SG-CE1 2.73Å; C270-H293 PolarHBondContact SG-ND1 2.92Å; C270-H293 VanDerWaalsContact SG-ND1 3.38Å; C273-H293 PolarHBondContact SG-ND1 2.77Å; C290-H293 PolarHBondContact O-N 3.04Å; S291-H293 VanDerWaalsContact C-N 3.29Å; S291-H293 PolarHBondContact O-N 3.35Å; H293-E295 VanDerWaalsContact C-N 3.27Å; H293-E295 PolarHBondContact O-N 2.74Å; H293-L296 WeakPolarHBondContact O-CB 3.07Å; H293-L296 PolarHBondContact O-N 3.16Å; H293-Y297 HydrophobicContact CB-CD2 3.93Å; H293-Y297 HydrophobicContact CB-CE2 3.83Å; H293-Y297 VanDerWaalsContact O-CD2 3.28Å; H293-Y297 WeakPolarHBondContact O-CD2 3.46Å; H293-Y297 PolarHBondContact O-N 2.94Å; H293-F386 AromaticContact CD2-CZ 3.49Å; H293-F386 VanDerWaalsContact CD2-CZ 3.49Å; H293-F386 WeakPolarHBondContact CD2-CZ 3.29Å; H293-F386 AromaticContact NE2-CZ 3.63Å
294T83.9Confident74.1Confident58 Ų5863.7 Ų63.736%0.35636%0.356SS..Hα-helixtrans-52.2-43.8-175.4-62.90000112.9T289 C290 Y297 T298T289-T294 PolarHBondContact O-OG1 3.45Å; T289-T294 PolarHBondContact OG1-OG1 3.29Å; C290-T294 PolarHBondContact O-N 2.88Å; C290-T294 PolarHBondContact O-OG1 3.14Å; T294-Y297 PolarHBondContact O-N 2.95Å; T294-T298 WeakPolarHBondContact O-CB 3.29Å; T294-T298 PolarHBondContact O-N 3.27Å; T294-T298 PolarHBondContact O-OG1 3.29Å
295E87.2Confident75.8Confident103 Ų10367.3 Ų67.348%0.48138%0.381SS..Hα-helixtrans-61.8-44.3177.1-75.9-79.3161.800112.7H293 T298 F299 A374 F384H293-E295 VanDerWaalsContact C-N 3.27Å; H293-E295 PolarHBondContact O-N 2.74Å; E295-T298 PolarHBondContact O-N 2.94Å; E295-F299 WeakPolarHBondContact O-CB 3.14Å; E295-F299 PolarHBondContact O-N 3.44Å; E295-A374 WeakPolarHBondContact CB-O 3.32Å; E295-F384 HydrophobicContact CB-CE2 3.97Å; E295-F384 HydrophobicContact CB-CZ 3.94Å
296L88.4Confident77.9Confident0 Ų061.6 Ų61.60%036%0.359CS..Hα-helixtrans-61.3-47.2176.9174.962.2000111H293 T298 F299 I300 I344 F346 F384 F386 V390 W394 M395H293-L296 WeakPolarHBondContact O-CB 3.07Å; H293-L296 PolarHBondContact O-N 3.16Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 3.19Å; L296-F299 PolarHBondContact O-N 3.17Å; L296-I300 HydrophobicContact CD1-CD1 3.93Å; L296-I300 HydrophobicContact CD1-CG1 4.31Å; L296-I300 HydrophobicContact CG-CD1 3.94Å; L296-I300 VanDerWaalsContact O-CG1 3.3Å; L296-I300 WeakPolarHBondContact O-CG1 3.21Å; L296-I300 PolarHBondContact O-N 2.93Å; L296-I344 HydrophobicContact CD1-CD1 4.26Å; L296-I344 HydrophobicContact CD1-CG2 4.11Å; L296-F346 HydrophobicContact CD2-CZ 4.35Å; L296-F384 HydrophobicContact CB-CE1 3.68Å; L296-F384 HydrophobicContact CB-CZ 3.91Å; L296-F384 HydrophobicContact CD1-CD1 3.71Å; L296-F384 HydrophobicContact CD1-CE1 3.56Å; L296-F384 HydrophobicContact CG-CE1 4.19Å; L296-F386 HydrophobicContact CD2-CE1 4.49Å; L296-V390 HydrophobicContact CD2-CG1 4.04Å; L296-V390 HydrophobicContact CD2-CG2 4.25Å; L296-W394 HydrophobicContact CD2-CH2 4.19Å; L296-W394 HydrophobicContact CD2-CZ3 4.02Å; L296-W394 HydrophobicContact CG-CH2 4.45Å; L296-M395 HydrophobicContact CD1-SD 4.36Å; L296-M395 HydrophobicContact CD2-SD 4.43Å
297Y83.7Confident80.2Confident14 Ų1459 Ų596%0.05535%0.345CS..Hα-helixtrans-64.8-39.6178.6-81.5-103000111.8G280 T289 H293 T294 F299 I300 S301 W394G280-Y297 WeakPolarHBondContact CA-OH 3.42Å; G280-Y297 PolarHBondContact N-OH 3.24Å; T289-Y297 HydrophobicContact CG2-CD1 3.52Å; T289-Y297 HydrophobicContact CG2-CD2 3.47Å; T289-Y297 VanDerWaalsContact CG2-CD2 3.47Å; T289-Y297 HydrophobicContact CG2-CE1 3.69Å; T289-Y297 HydrophobicContact CG2-CE2 3.66Å; T289-Y297 HydrophobicContact CG2-CG 3.4Å; H293-Y297 HydrophobicContact CB-CD2 3.93Å; H293-Y297 HydrophobicContact CB-CE2 3.83Å; H293-Y297 VanDerWaalsContact O-CD2 3.28Å; H293-Y297 WeakPolarHBondContact O-CD2 3.46Å; H293-Y297 PolarHBondContact O-N 2.94Å; T294-Y297 PolarHBondContact O-N 2.95Å; Y297-F299 VanDerWaalsContact C-N 3.35Å; Y297-I300 PolarHBondContact O-N 3.45Å; Y297-S301 WeakPolarHBondContact O-CB 3.43Å; Y297-S301 PolarHBondContact O-N 3.15Å; Y297-S301 PolarHBondContact O-OG 2.62Å; Y297-W394 HydrophobicContact CD1-CH2 4.16Å; Y297-W394 AromaticContact CD1-CZ2 3.69Å; Y297-W394 HydrophobicContact CD1-CZ2 3.69Å; Y297-W394 AromaticContact CD2-CH2 3.86Å; Y297-W394 HydrophobicContact CD2-CH2 3.86Å; Y297-W394 HydrophobicContact CD2-CZ2 4.23Å; Y297-W394 AromaticContact CE1-CE2 3.88Å; Y297-W394 AromaticContact CE1-CH2 3.78Å; Y297-W394 HydrophobicContact CE1-CH2 3.78Å; Y297-W394 AromaticContact CE1-CZ2 3.17Å; Y297-W394 HydrophobicContact CE1-CZ2 3.17Å; Y297-W394 AromaticContact CE2-CH2 3.45Å; Y297-W394 HydrophobicContact CE2-CH2 3.45Å; Y297-W394 VanDerWaalsContact CE2-CH2 3.45Å; Y297-W394 AromaticContact CE2-CZ2 3.78Å; Y297-W394 HydrophobicContact CE2-CZ2 3.78Å; Y297-W394 HydrophobicContact CE2-CZ3 4.17Å; Y297-W394 HydrophobicContact CG-CH2 4.21Å; Y297-W394 HydrophobicContact CG-CZ2 4.21Å; Y297-W394 AromaticContact CZ-CE2 3.88Å; Y297-W394 AromaticContact CZ-CH2 3.41Å; Y297-W394 VanDerWaalsContact CZ-CH2 3.41Å; Y297-W394 AromaticContact CZ-CZ2 3.23Å
298T87.7Confident82.2Confident85 Ų8557.3 Ų57.352%0.52133%0.332SS..Hα-helixtrans-62.2-44.3175.1-57.70000110.8T294 E295 L296 S301 S302T294-T298 WeakPolarHBondContact O-CB 3.29Å; T294-T298 PolarHBondContact O-N 3.27Å; T294-T298 PolarHBondContact O-OG1 3.29Å; E295-T298 PolarHBondContact O-N 2.94Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 3.19Å; T298-S301 PolarHBondContact O-N 3Å; T298-S302 WeakPolarHBondContact O-CB 3.49Å; T298-S302 PolarHBondContact O-N 2.76Å; T298-S302 PolarHBondContact O-OG 3.01Å
299F90.8Very high84.2Confident9 Ų949.6 Ų49.64%0.03930%0.297CS..Hα-helixtrans-59.8-50.7176.3-175.8-85.5000111.3E295 L296 Y297 S301 S302 C303 P308 R342 I344 G381 F384E295-F299 WeakPolarHBondContact O-CB 3.14Å; E295-F299 PolarHBondContact O-N 3.44Å; L296-F299 PolarHBondContact O-N 3.17Å; Y297-F299 VanDerWaalsContact C-N 3.35Å; F299-S301 PolarHBondContact O-N 3.32Å; F299-S302 PolarHBondContact O-N 2.83Å; F299-S302 PolarHBondContact O-OG 3.05Å; F299-C303 PolarHBondContact O-N 3.19Å; F299-C303 PolarHBondContact O-SG 2.96Å; F299-P308 HydrophobicContact CE1-CB 4.44Å; F299-R342 HydrophobicContact CE1-CB 4.37Å; F299-R342 HydrophobicContact CZ-CB 4.03Å; F299-I344 HydrophobicContact CD1-CD1 3.95Å; F299-I344 HydrophobicContact CD1-CG1 3.82Å; F299-I344 HydrophobicContact CE1-CD1 4.05Å; F299-I344 HydrophobicContact CE1-CG1 3.56Å; F299-G381 VanDerWaalsContact CE2-O 3.27Å; F299-G381 WeakPolarHBondContact CE2-O 3.37Å; F299-F384 HydrophobicContact CB-CD2 3.95Å; F299-F384 HydrophobicContact CB-CE2 4.39Å; F299-F384 HydrophobicContact CB-CG 4.23Å; F299-F384 HydrophobicContact CD1-CB 3.89Å; F299-F384 HydrophobicContact CD1-CG 4.38Å; F299-F384 HydrophobicContact CD2-CB 3.65Å; F299-F384 AromaticContact CD2-CD2 3.87Å; F299-F384 HydrophobicContact CD2-CD2 3.87Å; F299-F384 HydrophobicContact CD2-CG 4.08Å; F299-F384 HydrophobicContact CE1-CB 3.9Å; F299-F384 HydrophobicContact CE2-CB 3.62Å; F299-F384 HydrophobicContact CG-CB 3.77Å; F299-F384 AromaticContact CG-CD2 3.98Å; F299-F384 HydrophobicContact CG-CD2 3.98Å; F299-F384 AromaticContact CG-CG 3.99Å; F299-F384 HydrophobicContact CG-CG 3.99Å; F299-F384 HydrophobicContact CZ-CB 3.75Å
300I88.5Confident85.9Confident8 Ų847.8 Ų47.84%0.04129%0.285CS..Hα-helixtrans-58.5-49.1179.6-68.2164.8000110.8L282 L296 Y297 S302 C303 I344 W394 M395 T398L282-I300 HydrophobicContact CD1-CG2 4.39Å; L296-I300 HydrophobicContact CD1-CD1 3.93Å; L296-I300 HydrophobicContact CD1-CG1 4.31Å; L296-I300 HydrophobicContact CG-CD1 3.94Å; L296-I300 VanDerWaalsContact O-CG1 3.3Å; L296-I300 WeakPolarHBondContact O-CG1 3.21Å; L296-I300 PolarHBondContact O-N 2.93Å; Y297-I300 PolarHBondContact O-N 3.45Å; I300-S302 PolarHBondContact O-N 2.78Å; I300-C303 WeakPolarHBondContact O-CB 3.39Å; I300-C303 PolarHBondContact O-N 3.34Å; I300-I344 HydrophobicContact CD1-CD1 4.42Å; I300-I344 HydrophobicContact CG1-CD1 3.76Å; I300-W394 HydrophobicContact CD1-CH2 3.69Å; I300-W394 HydrophobicContact CD1-CZ2 4.06Å; I300-W394 HydrophobicContact CD1-CZ3 4.48Å; I300-M395 HydrophobicContact CD1-CE 3.76Å; I300-M395 HydrophobicContact CD1-SD 3.99Å; I300-M395 HydrophobicContact CG1-CE 4.18Å; I300-T398 HydrophobicContact CG2-CG2 4.09Å
301S85.8Confident86.9Confident69 Ų6947.2 Ų47.248%0.48328%0.282SS..Hα-helixtrans-60.7-33.5-179-53.90000112.1Y297 T298 F299 C303Y297-S301 WeakPolarHBondContact O-CB 3.43Å; Y297-S301 PolarHBondContact O-N 3.15Å; Y297-S301 PolarHBondContact O-OG 2.62Å; T298-S301 PolarHBondContact O-N 3Å; F299-S301 PolarHBondContact O-N 3.32Å; S301-C303 PolarHBondContact O-N 2.93Å
302S88Confident87.9Confident67 Ų6742.8 Ų42.847%0.46925%0.251SS..THydrogen-bonded Turntrans-75.8-4176.573.40000114.7T298 F299 I300 R342T298-S302 WeakPolarHBondContact O-CB 3.49Å; T298-S302 PolarHBondContact O-N 2.76Å; T298-S302 PolarHBondContact O-OG 3.01Å; F299-S302 PolarHBondContact O-N 2.83Å; F299-S302 PolarHBondContact O-OG 3.05Å; I300-S302 PolarHBondContact O-N 2.78Å; S302-R342 VanDerWaalsContact C-NH1 3.3Å; S302-R342 PolarHBondContact O-NH1 3.21Å; S302-R342 PolarHBondContact OG-NH1 3.07Å; S302-R342 PolarHBondContact OG-NH2 2.94Å
303C80.2Confident88.6Confident8 Ų840.1 Ų40.15%0.05424%0.236CC..THydrogen-bonded Turntrans-88.4-15.9-178.5-65.30000113.6F299 I300 S301 A306 P308 R342F299-C303 PolarHBondContact O-N 3.19Å; F299-C303 PolarHBondContact O-SG 2.96Å; I300-C303 WeakPolarHBondContact O-CB 3.39Å; I300-C303 PolarHBondContact O-N 3.34Å; S301-C303 PolarHBondContact O-N 2.93Å; C303-A306 CarbonylContact O-C 3.23Å; C303-A306 VanDerWaalsContact O-C 3.23Å; C303-A306 WeakPolarHBondContact O-CA 3.31Å; C303-A306 PolarHBondContact O-N 3.18Å; C303-P308 HydrophobicContact CB-CG 4.47Å; C303-R342 PolarHBondContact SG-NH1 3.18Å; C303-R342 VanDerWaalsContact SG-NH1 3.41Å
304E75.4Confident88.9Confident155 Ų15541.6 Ų41.672%0.72425%0.247SC*.THydrogen-bonded Turntrans-62.5137.1-179.1-68.9-168.8172.300112.3
305P78.5Confident89Confident135 Ų13540.3 Ų40.388%0.87724%0.24SC*.THydrogen-bonded Turncis-89.3-4.5935-35.5000115.3
306A88.3Confident89.1Confident58 Ų5835.4 Ų35.448%0.47922%0.217SC..SBendtrans-97.994.6-175.200000111.6C303C303-A306 CarbonylContact O-C 3.23Å; C303-A306 VanDerWaalsContact O-C 3.23Å; C303-A306 WeakPolarHBondContact O-CA 3.31Å; C303-A306 PolarHBondContact O-N 3.18Å
307L93.9Very high88.9Confident60 Ų6035.6 Ų35.631%0.31422%0.219SC..PPolyproline II helixtrans-56141.5-179.3-59.6-179.8000112.3A400L307-A400 HydrophobicContact CB-CB 4.08Å
308P96.9Very high88.9Confident0 Ų038.3 Ų38.30%024%0.24CC..PPolyproline II helixtrans-69.8165.4-179.930.4-37.1000112.8F299 C303 R342 I344 T398 C399 A400F299-P308 HydrophobicContact CE1-CB 4.44Å; C303-P308 HydrophobicContact CB-CG 4.47Å; P308-R342 CarbonylContact C-O 3.55Å; P308-R342 WeakPolarHBondContact CA-O 3.4Å; P308-R342 HydrophobicContact CB-CB 4.29Å; P308-R342 WeakPolarHBondContact CB-O 3.47Å; P308-I344 HydrophobicContact CB-CD1 4.14Å; P308-I344 HydrophobicContact CB-CG1 4.24Å; P308-I344 HydrophobicContact CG-CD1 3.66Å; P308-I344 HydrophobicContact CG-CG1 4.3Å; P308-T398 WeakPolarHBondContact CD-O 3.33Å; P308-C399 CarbonylContact O-C 3.49Å; P308-C399 VanDerWaalsContact O-CA 3.26Å; P308-C399 WeakPolarHBondContact O-CA 3.42Å; P308-C399 WeakPolarHBondContact O-CB 3.15Å; P308-A400 PolarHBondContact O-N 2.86Å
309I97.7Very high88.7Confident0 Ų036.2 Ų36.20%023%0.225CC..EExtended strand (participates in β ladder)trans-97.3126.9170.3-55.2-66.2000109Y341 R342 F343 I344 A400 A401 I403 I474 L478I309-Y341 HydrophobicContact CG1-CD1 4.4Å; I309-Y341 HydrophobicContact CG1-CG 4.08Å; I309-R342 PolarHBondContact N-O 3.2Å; I309-F343 HydrophobicContact CB-CD1 3.7Å; I309-F343 HydrophobicContact CB-CE1 3.58Å; I309-F343 HydrophobicContact CB-CG 4.25Å; I309-F343 HydrophobicContact CB-CZ 4.04Å; I309-F343 HydrophobicContact CG1-CE1 4.18Å; I309-F343 HydrophobicContact CG1-CZ 4.15Å; I309-F343 HydrophobicContact CG2-CD1 3.92Å; I309-F343 HydrophobicContact CG2-CE1 3.6Å; I309-F343 HydrophobicContact CG2-CZ 4.36Å; I309-F343 CarbonylContact O-C 3.51Å; I309-F343 WeakPolarHBondContact O-CA 3.47Å; I309-I344 PolarHBondContact O-N 2.93Å; I309-A400 HydrophobicContact CD1-CB 3.97Å; I309-A401 HydrophobicContact CD1-CB 3.94Å; I309-I403 HydrophobicContact CG2-CD1 3.89Å; I309-I403 HydrophobicContact CG2-CG1 3.93Å; I309-I474 HydrophobicContact CD1-CG2 4.3Å; I309-L478 HydrophobicContact CD1-CD1 4.26Å
310F97.8Very high88.4Confident1 Ų136.6 Ų36.60%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-82.4145.9175.9176.7-93.9000111.5I344 F346 Y392 M395 F396 C399 A401 A402 I403F310-I344 CarbonylContact C-O 3.53Å; F310-I344 WeakPolarHBondContact CA-O 3.39Å; F310-I344 HydrophobicContact CD2-CG2 4.36Å; F310-F346 HydrophobicContact CE2-CB 4.24Å; F310-F346 AromaticContact CE2-CD1 3.84Å; F310-F346 HydrophobicContact CE2-CD1 3.84Å; F310-F346 AromaticContact CE2-CD2 3.81Å; F310-F346 HydrophobicContact CE2-CD2 3.81Å; F310-F346 HydrophobicContact CE2-CE1 4.05Å; F310-F346 HydrophobicContact CE2-CE2 4Å; F310-F346 AromaticContact CE2-CG 3.7Å; F310-F346 HydrophobicContact CE2-CG 3.7Å; F310-F346 HydrophobicContact CE2-CZ 4.1Å; F310-F346 HydrophobicContact CZ-CB 4.16Å; F310-F346 AromaticContact CZ-CD2 4Å; F310-F346 HydrophobicContact CZ-CD2 4Å; F310-F346 HydrophobicContact CZ-CE2 4.49Å; F310-F346 HydrophobicContact CZ-CG 4.02Å; F310-Y392 AromaticContact CZ-CE1 3.94Å; F310-Y392 HydrophobicContact CZ-CE1 3.94Å; F310-M395 HydrophobicContact CD2-CG 4.1Å; F310-M395 HydrophobicContact CE2-CG 4.29Å; F310-F396 HydrophobicContact CB-CE1 4.3Å; F310-F396 HydrophobicContact CD1-CD1 4.36Å; F310-F396 AromaticContact CD1-CE1 3.39Å; F310-F396 HydrophobicContact CD1-CE1 3.39Å; F310-F396 HydrophobicContact CD1-CZ 4.01Å; F310-F396 HydrophobicContact CD2-CE1 4.2Å; F310-F396 AromaticContact CE1-CE1 3.61Å; F310-F396 HydrophobicContact CE1-CE1 3.61Å; F310-F396 AromaticContact CE1-CZ 3.99Å; F310-F396 HydrophobicContact CE1-CZ 3.99Å; F310-F396 HydrophobicContact CE2-CE1 4.39Å; F310-F396 HydrophobicContact CG-CD1 4.29Å; F310-F396 AromaticContact CG-CE1 3.7Å; F310-F396 HydrophobicContact CG-CE1 3.7Å; F310-F396 HydrophobicContact CZ-CE1 4.11Å; F310-C399 HydrophobicContact CB-CB 4.37Å; F310-A401 PolarHBondContact N-O 3.09Å; F310-A402 HydrophobicContact CB-CB 4.34Å; F310-A402 HydrophobicContact CD1-CB 4.12Å; F310-I403 PolarHBondContact O-N 2.75Å
311V97.6Very high88.4Confident0 Ų038.1 Ų38.10%024%0.238CC..EExtended strand (participates in β ladder)trans-131120.4173.2-172.30000109.7F328 L332 F343 I344 I345 F346 I403V311-F328 HydrophobicContact CG1-CZ 4Å; V311-L332 HydrophobicContact CG2-CD2 4.36Å; V311-F343 HydrophobicContact CG2-CD1 3.75Å; V311-F343 HydrophobicContact CG2-CE1 4.46Å; V311-I344 PolarHBondContact N-O 2.91Å; V311-I345 HydrophobicContact CB-CB 4.15Å; V311-I345 HydrophobicContact CB-CG1 4.08Å; V311-I345 HydrophobicContact CG1-CD1 4.2Å; V311-I345 HydrophobicContact CG1-CG1 4.19Å; V311-I345 WeakPolarHBondContact O-CA 3.31Å; V311-F346 PolarHBondContact O-N 2.9Å; V311-I403 CarbonylContact C-O 3.53Å; V311-I403 VanDerWaalsContact CA-O 3.32Å; V311-I403 WeakPolarHBondContact CA-O 3.4Å; V311-I403 HydrophobicContact CG2-CB 4.3Å; V311-I403 HydrophobicContact CG2-CD1 4.25Å
312G95.2Very high88.7Confident0 Ų035 Ų350%022%0.216CC..EExtended strand (participates in β ladder)trans-145.7106.7179.900000113.2I403 H404 H405G312-I403 PolarHBondContact N-O 2.77Å; G312-H404 VanDerWaalsContact O-CA 3.25Å; G312-H404 WeakPolarHBondContact O-CA 3.43Å; G312-H404 VanDerWaalsContact O-CB 3.27Å; G312-H404 WeakPolarHBondContact O-CB 3.29Å; G312-H405 PolarHBondContact O-ND1 3.44Å
313L93.2Very high88.7Confident11 Ų1138.9 Ų38.96%0.05822%0.22CC..  trans-99.7-1.1176.3-56.3-175.4000113.1S315 V316 F328 H405 F426 L453L313-S315 PolarHBondContact O-N 3.36Å; L313-V316 HydrophobicContact CB-CB 4.16Å; L313-V316 WeakPolarHBondContact O-CB 3.41Å; L313-V316 WeakPolarHBondContact O-CG2 3.4Å; L313-V316 PolarHBondContact O-N 3.38Å; L313-F328 HydrophobicContact CD1-CE1 4.06Å; L313-F328 HydrophobicContact CD1-CE2 4.27Å; L313-F328 HydrophobicContact CD1-CZ 3.76Å; L313-F328 HydrophobicContact CG-CZ 4.42Å; L313-H405 HydrophobicContact CD2-CB 4.27Å; L313-F426 HydrophobicContact CD1-CZ 4.5Å; L313-F426 HydrophobicContact CD2-CE2 4.15Å; L313-F426 HydrophobicContact CD2-CZ 4.47Å; L313-L453 HydrophobicContact CD1-CD2 3.91Å
314S88.6Confident89.3Confident33 Ų3339.9 Ų39.923%0.23123%0.225CC..G310 helixtrans49.1-127.7172.7-55.40000112.4V316 A348 H405S314-V316 PolarHBondContact O-N 2.99Å; S314-A348 WeakPolarHBondContact O-CB 3.38Å; S314-H405 PolarHBondContact OG-CE1 3.06Å; S314-H405 VanDerWaalsContact OG-CE1 3.23Å
315S86.2Confident90.2Very high31 Ų3133.2 Ų33.222%0.21720%0.196CC..G310 helixtrans-73.7-6.2-176.950.90000114.5L313 G317 S318 M319L313-S315 PolarHBondContact O-N 3.36Å; S315-G317 PolarHBondContact O-N 2.68Å; S315-G317 VanDerWaalsContact O-N 3.12Å; S315-S318 WeakPolarHBondContact CA-OG 3.27Å; S315-S318 PolarHBondContact O-N 3.29Å; S315-S318 PolarHBondContact O-OG 2.73Å; S315-M319 WeakPolarHBondContact O-CB 3.14Å; S315-M319 WeakPolarHBondContact O-CG 2.84Å; S315-M319 PolarHBondContact O-N 3.02Å
316V88Confident91Very high0 Ų029.8 Ų29.80%017%0.169CC..G310 helixtrans-54.4-35.8-179.6170.70000111.7L313 S314 M319 F321 H405 F426 L453L313-V316 HydrophobicContact CB-CB 4.16Å; L313-V316 WeakPolarHBondContact O-CB 3.41Å; L313-V316 WeakPolarHBondContact O-CG2 3.4Å; L313-V316 PolarHBondContact O-N 3.38Å; S314-V316 PolarHBondContact O-N 2.99Å; V316-M319 PolarHBondContact O-N 3.4Å; V316-F321 HydrophobicContact CG1-CB 3.43Å; V316-F321 VanDerWaalsContact CG1-CB 3.43Å; V316-F321 HydrophobicContact CG1-CD2 3.92Å; V316-F321 HydrophobicContact CG1-CG 3.95Å; V316-F321 WeakPolarHBondContact O-CB 3.31Å; V316-F321 PolarHBondContact O-N 2.55Å; V316-F321 VanDerWaalsContact O-N 3.16Å; V316-H405 HydrophobicContact CG2-CB 3.67Å; V316-F426 HydrophobicContact CB-CD2 4.38Å; V316-F426 HydrophobicContact CB-CE2 4.49Å; V316-F426 HydrophobicContact CG1-CD1 3.93Å; V316-F426 HydrophobicContact CG1-CD2 3.76Å; V316-F426 HydrophobicContact CG1-CE1 3.97Å; V316-F426 HydrophobicContact CG1-CE2 3.77Å; V316-F426 HydrophobicContact CG1-CG 3.83Å; V316-F426 HydrophobicContact CG1-CZ 3.89Å; V316-F426 HydrophobicContact CG2-CD2 3.62Å; V316-F426 HydrophobicContact CG2-CE2 4.03Å; V316-F426 HydrophobicContact CG2-CG 4.18Å; V316-L453 HydrophobicContact CG1-CD1 4.17Å
317G84.7Confident91.3Very high4 Ų427 Ų274%0.04115%0.146CC..THydrogen-bonded Turntrans-60.5-59.4171.900000112.3S315 M319 G320 Y350S315-G317 PolarHBondContact O-N 2.68Å; S315-G317 VanDerWaalsContact O-N 3.12Å; G317-M319 PolarHBondContact O-N 3.41Å; G317-M319 VanDerWaalsContact O-N 3.07Å; G317-G320 PolarHBondContact O-N 2.75Å; G317-Y350 WeakPolarHBondContact O-CE2 3.42Å
318S83.7Confident91.4Very high71 Ų7124.2 Ų24.250%0.49713%0.132SC..THydrogen-bonded Turntrans-60.7-18.6178.853.40000114.6S315 G320S315-S318 WeakPolarHBondContact CA-OG 3.27Å; S315-S318 PolarHBondContact O-N 3.29Å; S315-S318 PolarHBondContact O-OG 2.73Å; S318-G320 VanDerWaalsContact C-N 3.32Å
319M83.2Confident91.4Very high40 Ų4024.2 Ų24.220%0.19713%0.132CC..THydrogen-bonded Turntrans-87.92176.1-64.5175.190.400113.2A72 S315 V316 G317 F321 M427A72-M319 HydrophobicContact CB-CG 4.43Å; S315-M319 WeakPolarHBondContact O-CB 3.14Å; S315-M319 WeakPolarHBondContact O-CG 2.84Å; S315-M319 PolarHBondContact O-N 3.02Å; V316-M319 PolarHBondContact O-N 3.4Å; G317-M319 PolarHBondContact O-N 3.41Å; G317-M319 VanDerWaalsContact O-N 3.07Å; M319-F321 HydrophobicContact CB-CD2 3.87Å; M319-F321 HydrophobicContact CB-CE2 3.94Å; M319-M427 HydrophobicContact CE-CE 3.35Å; M319-M427 HydrophobicContact CE-SD 3.14Å; M319-M427 WeakPolarHBondContact CE-SD 3.45Å; M319-M427 HydrophobicContact SD-SD 3.78Å
320G85.1Confident91.4Very high17 Ų1727.5 Ų27.518%0.17514%0.144CC..THydrogen-bonded Turntrans8714.2173.600000115G317 S318G317-G320 PolarHBondContact O-N 2.75Å; S318-G320 VanDerWaalsContact C-N 3.32Å
321F89Confident91.4Very high41 Ų4127.5 Ų27.518%0.1814%0.144CC..  trans-82.9-28.5178-68.4-80.7000113.1V316 M319 R323 F426 M427 R449 L453V316-F321 HydrophobicContact CG1-CB 3.43Å; V316-F321 VanDerWaalsContact CG1-CB 3.43Å; V316-F321 HydrophobicContact CG1-CD2 3.92Å; V316-F321 HydrophobicContact CG1-CG 3.95Å; V316-F321 WeakPolarHBondContact O-CB 3.31Å; V316-F321 PolarHBondContact O-N 2.55Å; V316-F321 VanDerWaalsContact O-N 3.16Å; M319-F321 HydrophobicContact CB-CD2 3.87Å; M319-F321 HydrophobicContact CB-CE2 3.94Å; F321-R323 PolarHBondContact O-N 3.27Å; F321-F426 HydrophobicContact CB-CD1 4.15Å; F321-F426 HydrophobicContact CD1-CB 4.17Å; F321-F426 AromaticContact CD1-CD1 3.96Å; F321-F426 HydrophobicContact CD1-CD1 3.96Å; F321-F426 HydrophobicContact CD1-CG 4.46Å; F321-F426 HydrophobicContact CD2-CB 4.37Å; F321-F426 HydrophobicContact CE1-CB 4.04Å; F321-F426 HydrophobicContact CE2-CB 4.24Å; F321-F426 HydrophobicContact CG-CB 4.34Å; F321-F426 HydrophobicContact CG-CD1 4.07Å; F321-F426 HydrophobicContact CG-CG 4.44Å; F321-F426 HydrophobicContact CZ-CB 4.07Å; F321-M427 HydrophobicContact CE2-SD 3.86Å; F321-M427 HydrophobicContact CZ-CB 4.36Å; F321-M427 HydrophobicContact CZ-SD 4.21Å; F321-R449 PolarHBondContact O-NH2 3.02Å; F321-L453 HydrophobicContact CB-CD1 4.07Å; F321-L453 WeakPolarHBondContact O-CD1 3.37Å
322V90.5Very high91.4Very high4 Ų427.5 Ų27.52%0.02414%0.144CC..  trans-90.184.6177.8-173.20000109P325 Y350 L453V322-P325 HydrophobicContact CG1-CB 4.2Å; V322-P325 HydrophobicContact CG1-CG 4.05Å; V322-Y350 HydrophobicContact CB-CE1 3.85Å; V322-Y350 HydrophobicContact CG1-CE1 4.09Å; V322-Y350 PolarHBondContact O-OH 3.19Å; V322-L453 HydrophobicContact CB-CD1 4.46Å; V322-L453 HydrophobicContact CG1-CD2 4.41Å; V322-L453 HydrophobicContact CG2-CD1 3.73Å; V322-L453 HydrophobicContact CG2-CD2 3.97Å
323R88Confident91.5Very high147 Ų14730.3 Ų30.356%0.55516%0.157SC*.SBendtrans-78.1-41.8-176.8-67.3-173.8-180164.97.9113.4F321 E455F321-R323 PolarHBondContact O-N 3.27Å; R323-E455 IonicContact CZ-OE1 3.4Å; R323-E455 VanDerWaalsContact NH1-CD 3.32Å; R323-E455 IonicContact NH1-OE1 3.34Å; R323-E455 PolarHBondContact NH1-OE1 3.33Å; R323-E455 IonicContact NH1-OE2 2.77Å
324D92.8Very high91.7Very high29 Ų2930.6 Ų30.616%0.15516%0.16CC..  trans-120.493.8174.1-172.6-21.6000109.1I326 A327 F328 S457D324-I326 PolarHBondContact O-N 3.06Å; D324-I326 WeakPolarHBondContact OD1-CA 3.49Å; D324-I326 WeakPolarHBondContact OD1-CB 3.43Å; D324-I326 PolarHBondContact OD1-N 2.87Å; D324-A327 HydrophobicContact CB-CB 3.8Å; D324-A327 PolarHBondContact O-N 3.05Å; D324-A327 PolarHBondContact OD1-N 2.79Å; D324-F328 PolarHBondContact O-N 3.01Å; D324-S457 WeakPolarHBondContact OD2-CB 3.38Å; D324-S457 PolarHBondContact OD2-N 3.3Å; D324-S457 PolarHBondContact OD2-OG 2.92Å
325P94.3Very high92.1Very high16 Ų1629 Ų2910%0.10415%0.149CC..Hα-helixtrans-62.7-28.4177.5-20.631.1000113.5V322 F328 L329 Y350 P352 L353 A356V322-P325 HydrophobicContact CG1-CB 4.2Å; V322-P325 HydrophobicContact CG1-CG 4.05Å; P325-F328 PolarHBondContact O-N 3.39Å; P325-L329 VanDerWaalsContact O-CG 3.32Å; P325-L329 WeakPolarHBondContact O-CG 3.46Å; P325-L329 PolarHBondContact O-N 3.16Å; P325-L329 VanDerWaalsContact O-N 3.08Å; P325-Y350 HydrophobicContact CG-CE1 4.44Å; P325-P352 HydrophobicContact CG-CB 3.88Å; P325-L353 HydrophobicContact CB-CB 4.25Å; P325-L353 HydrophobicContact CB-CD1 4.06Å; P325-A356 HydrophobicContact CB-CB 3.79Å
326I95.2Very high92.7Very high62 Ų6228.2 Ų28.232%0.31814%0.142SC..Hα-helixtrans-67.6-45.4175.9-65.4-179000109.1D324 F328 L329 R330 A356D324-I326 PolarHBondContact O-N 3.06Å; D324-I326 WeakPolarHBondContact OD1-CA 3.49Å; D324-I326 WeakPolarHBondContact OD1-CB 3.43Å; D324-I326 PolarHBondContact OD1-N 2.87Å; I326-F328 VanDerWaalsContact C-N 3.27Å; I326-F328 PolarHBondContact O-N 3.13Å; I326-L329 PolarHBondContact O-N 2.93Å; I326-L329 VanDerWaalsContact O-N 3.09Å; I326-R330 HydrophobicContact CG2-CG 4.19Å; I326-R330 WeakPolarHBondContact O-CG 3.18Å; I326-R330 PolarHBondContact O-N 3.12Å; I326-A356 HydrophobicContact CG1-CB 3.81Å
327A95.2Very high93.1Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-56.9-43.5177.700000111.5D324 L329 R330 V331 L454D324-A327 HydrophobicContact CB-CB 3.8Å; D324-A327 PolarHBondContact O-N 3.05Å; D324-A327 PolarHBondContact OD1-N 2.79Å; A327-L329 PolarHBondContact O-N 3.04Å; A327-R330 PolarHBondContact O-N 2.93Å; A327-V331 WeakPolarHBondContact O-CG2 3.03Å; A327-V331 PolarHBondContact O-N 3.42Å; A327-L454 HydrophobicContact CB-CB 4.07Å
328F96.4Very high93.8Very high2 Ų238.1 Ų38.11%0.00919%0.189CC..Hα-helixtrans-59.6-46.1174.7172.9-140.3000112.4V311 L313 D324 P325 I326 R330 V331 L332 I345 L353 L452 L453V311-F328 HydrophobicContact CG1-CZ 4Å; L313-F328 HydrophobicContact CD1-CE1 4.06Å; L313-F328 HydrophobicContact CD1-CE2 4.27Å; L313-F328 HydrophobicContact CD1-CZ 3.76Å; L313-F328 HydrophobicContact CG-CZ 4.42Å; D324-F328 PolarHBondContact O-N 3.01Å; P325-F328 PolarHBondContact O-N 3.39Å; I326-F328 VanDerWaalsContact C-N 3.27Å; I326-F328 PolarHBondContact O-N 3.13Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.09Å; F328-V331 PolarHBondContact O-N 3.47Å; F328-L332 HydrophobicContact CD2-CD1 4.42Å; F328-L332 HydrophobicContact CD2-CG 4.29Å; F328-L332 HydrophobicContact CE1-CD1 4.46Å; F328-L332 HydrophobicContact CE2-CD1 3.82Å; F328-L332 HydrophobicContact CE2-CD2 4.15Å; F328-L332 HydrophobicContact CE2-CG 3.89Å; F328-L332 HydrophobicContact CZ-CD1 3.84Å; F328-L332 HydrophobicContact CZ-CG 4.43Å; F328-L332 PolarHBondContact O-N 3.31Å; F328-L332 VanDerWaalsContact O-N 3.11Å; F328-I345 HydrophobicContact CE1-CD1 3.58Å; F328-I345 HydrophobicContact CZ-CD1 3.77Å; F328-L353 HydrophobicContact CD1-CD1 4.14Å; F328-L353 HydrophobicContact CE1-CD2 4.3Å; F328-L452 WeakPolarHBondContact CD2-O 3.32Å; F328-L453 HydrophobicContact CB-CD2 4.05Å; F328-L453 HydrophobicContact CD1-CD2 4.23Å; F328-L453 HydrophobicContact CD2-CD2 3.9Å; F328-L453 HydrophobicContact CE2-CD2 4.42Å; F328-L453 HydrophobicContact CG-CD2 3.8Å
329L96.9Very high94.4Very high0 Ų035.7 Ų35.70%017%0.171CC..Hα-helixtrans-64.6-35.5177.2-67.2169.9000112.3P325 I326 A327 L332 Q333 L353 A356 I357 I360 I378 F379 L383P325-L329 VanDerWaalsContact O-CG 3.32Å; P325-L329 WeakPolarHBondContact O-CG 3.46Å; P325-L329 PolarHBondContact O-N 3.16Å; P325-L329 VanDerWaalsContact O-N 3.08Å; I326-L329 PolarHBondContact O-N 2.93Å; I326-L329 VanDerWaalsContact O-N 3.09Å; A327-L329 PolarHBondContact O-N 3.04Å; L329-L332 PolarHBondContact O-N 2.85Å; L329-Q333 PolarHBondContact O-N 3.49Å; L329-L353 HydrophobicContact CD1-CD1 4.14Å; L329-L353 HydrophobicContact CD2-CD1 4.06Å; L329-L353 HydrophobicContact CG-CD1 4.05Å; L329-A356 HydrophobicContact CD1-CB 3.83Å; L329-I357 HydrophobicContact CD1-CG1 3.73Å; L329-I357 HydrophobicContact CD2-CG1 3.99Å; L329-I360 HydrophobicContact CB-CD1 3.73Å; L329-I360 HydrophobicContact CD1-CD1 3.61Å; L329-I360 HydrophobicContact CG-CD1 4.3Å; L329-I378 HydrophobicContact CD2-CD1 4.37Å; L329-F379 HydrophobicContact CB-CZ 4.38Å; L329-F379 WeakPolarHBondContact O-CE2 3.11Å; L329-L383 HydrophobicContact CD2-CD2 4.24Å
330R96.7Very high95Very high69 Ų6936 Ų3626%0.2619%0.185SC..Hα-helixtrans-67.4-38.6175.1-65.3-170.993.1-165-2.6112.1I326 A327 F328 L332 Q333 S334 S457 E460 I463I326-R330 HydrophobicContact CG2-CG 4.19Å; I326-R330 WeakPolarHBondContact O-CG 3.18Å; I326-R330 PolarHBondContact O-N 3.12Å; A327-R330 PolarHBondContact O-N 2.93Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.09Å; R330-L332 PolarHBondContact O-N 2.94Å; R330-Q333 WeakPolarHBondContact O-CB 3.25Å; R330-Q333 PolarHBondContact O-N 3.08Å; R330-S334 PolarHBondContact O-N 3.29Å; R330-S334 PolarHBondContact O-OG 2.97Å; R330-S457 PolarHBondContact NH1-O 3.07Å; R330-E460 IonicContact CZ-OE1 2.77Å; R330-E460 IonicContact NH1-OE1 3.48Å; R330-E460 PolarHBondContact NH1-OE1 3.14Å; R330-E460 IonicContact NH2-OE1 3.41Å; R330-E460 PolarHBondContact NH2-OE1 2.8Å; R330-E460 IonicContact NH2-OE2 3.63Å; R330-I463 HydrophobicContact CB-CD1 3.98Å; R330-I463 HydrophobicContact CB-CG2 4.33Å
331V97.7Very high95.5Very high0 Ų038.5 Ų38.50%019%0.19CC..Hα-helixtrans-58-49.2170.8172.50000110.3A327 F328 Q333 S334 V335 L454 I463 A466A327-V331 WeakPolarHBondContact O-CG2 3.03Å; A327-V331 PolarHBondContact O-N 3.42Å; F328-V331 PolarHBondContact O-N 3.47Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.9Å; V331-S334 PolarHBondContact O-N 3.36Å; V331-V335 HydrophobicContact CG1-CG2 4.41Å; V331-V335 VanDerWaalsContact O-CG2 3.3Å; V331-V335 WeakPolarHBondContact O-CG2 3.47Å; V331-V335 PolarHBondContact O-N 3.47Å; V331-L454 HydrophobicContact CG2-CD1 3.69Å; V331-L454 HydrophobicContact CG2-CG 4.2Å; V331-I463 HydrophobicContact CG2-CG1 4.41Å; V331-I463 HydrophobicContact CG2-CG2 4.32Å; V331-A466 HydrophobicContact CG1-CB 4.24Å; V331-A466 HydrophobicContact CG2-CB 4.15Å
332L97.8Very high95.9Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-61.4-38.3177.4-66.3-178.7000112.4V311 F328 L329 R330 V335 I336 I345 L383V311-L332 HydrophobicContact CG2-CD2 4.36Å; F328-L332 HydrophobicContact CD2-CD1 4.42Å; F328-L332 HydrophobicContact CD2-CG 4.29Å; F328-L332 HydrophobicContact CE1-CD1 4.46Å; F328-L332 HydrophobicContact CE2-CD1 3.82Å; F328-L332 HydrophobicContact CE2-CD2 4.15Å; F328-L332 HydrophobicContact CE2-CG 3.89Å; F328-L332 HydrophobicContact CZ-CD1 3.84Å; F328-L332 HydrophobicContact CZ-CG 4.43Å; F328-L332 PolarHBondContact O-N 3.31Å; F328-L332 VanDerWaalsContact O-N 3.11Å; L329-L332 PolarHBondContact O-N 2.85Å; R330-L332 PolarHBondContact O-N 2.94Å; L332-V335 PolarHBondContact O-N 3.41Å; L332-I336 WeakPolarHBondContact O-CD1 3.33Å; L332-I336 VanDerWaalsContact O-CG1 3.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.36Å; L332-I336 PolarHBondContact O-N 3.29Å; L332-I345 HydrophobicContact CD1-CD1 3.9Å; L332-L383 HydrophobicContact CD1-CD2 4.34Å
333Q97.5Very high96.2Very high59 Ų5938.7 Ų38.728%0.27619%0.189SC..Hα-helixtrans-58.4-48174.4-170.7-177.215.600111.7L329 R330 V331 I336 Q337 F379L329-Q333 PolarHBondContact O-N 3.49Å; R330-Q333 WeakPolarHBondContact O-CB 3.25Å; R330-Q333 PolarHBondContact O-N 3.08Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.9Å; Q333-I336 WeakPolarHBondContact O-CB 3.47Å; Q333-I336 PolarHBondContact O-N 3.23Å; Q333-Q337 WeakPolarHBondContact O-CG 3.28Å; Q333-Q337 PolarHBondContact O-N 2.57Å; Q333-F379 HydrophobicContact CB-CD1 4.34Å; Q333-F379 HydrophobicContact CB-CD2 4.05Å; Q333-F379 HydrophobicContact CB-CE1 4.01Å; Q333-F379 HydrophobicContact CB-CE2 3.71Å; Q333-F379 HydrophobicContact CB-CG 4.36Å; Q333-F379 HydrophobicContact CB-CZ 3.69Å; Q333-F379 VanDerWaalsContact CD-CE1 3.48Å; Q333-F379 HydrophobicContact CG-CD1 3.79Å; Q333-F379 HydrophobicContact CG-CD2 4.19Å; Q333-F379 HydrophobicContact CG-CE1 3.81Å; Q333-F379 HydrophobicContact CG-CE2 4.21Å; Q333-F379 HydrophobicContact CG-CG 4Å; Q333-F379 HydrophobicContact CG-CZ 4.03Å
334S97.7Very high96.6Very high18 Ų1831.7 Ų31.713%0.12616%0.162CC..Hα-helixtrans-65.6-37.6177.5-650000112R330 V331 I336 Q337 I338 A467R330-S334 PolarHBondContact O-N 3.29Å; R330-S334 PolarHBondContact O-OG 2.97Å; V331-S334 PolarHBondContact O-N 3.36Å; S334-I336 VanDerWaalsContact C-N 3.34Å; S334-I336 PolarHBondContact O-N 2.7Å; S334-Q337 WeakPolarHBondContact O-CB 3.37Å; S334-Q337 PolarHBondContact O-N 2.88Å; S334-I338 VanDerWaalsContact O-CG1 3.27Å; S334-I338 WeakPolarHBondContact O-CG1 3.48Å; S334-I338 PolarHBondContact O-N 3.02Å; S334-A467 VanDerWaalsContact CB-CB 3.41Å
335V98.3Very high96.8Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-62.5-42174175.90000111.2V331 L332 Q337 I338 T339 F343 A467 V470 I474V331-V335 HydrophobicContact CG1-CG2 4.41Å; V331-V335 VanDerWaalsContact O-CG2 3.3Å; V331-V335 WeakPolarHBondContact O-CG2 3.47Å; V331-V335 PolarHBondContact O-N 3.47Å; L332-V335 PolarHBondContact O-N 3.41Å; V335-Q337 VanDerWaalsContact C-N 3.3Å; V335-Q337 PolarHBondContact O-N 2.79Å; V335-I338 PolarHBondContact O-N 3.13Å; V335-T339 HydrophobicContact CG1-CG2 4.11Å; V335-T339 WeakPolarHBondContact O-CB 3.32Å; V335-T339 WeakPolarHBondContact O-CG2 3.46Å; V335-T339 PolarHBondContact O-N 2.96Å; V335-T339 PolarHBondContact O-OG1 3.35Å; V335-F343 HydrophobicContact CG1-CE1 4.33Å; V335-F343 HydrophobicContact CG1-CE2 4.43Å; V335-F343 HydrophobicContact CG1-CZ 3.69Å; V335-A467 HydrophobicContact CG2-CB 3.81Å; V335-V470 HydrophobicContact CG1-CG1 4.07Å; V335-V470 HydrophobicContact CG2-CB 3.73Å; V335-V470 HydrophobicContact CG2-CG1 3.73Å; V335-I474 HydrophobicContact CG1-CD1 3.57Å
336I97.7Very high96.8Very high14 Ų1430.2 Ų30.27%0.07215%0.153CC..Hα-helixtrans-59.1-43.4174.8-73162.3000110.5L332 Q333 S334 G340 F343 F379 K382 L383L332-I336 WeakPolarHBondContact O-CD1 3.33Å; L332-I336 VanDerWaalsContact O-CG1 3.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.36Å; L332-I336 PolarHBondContact O-N 3.29Å; Q333-I336 WeakPolarHBondContact O-CB 3.47Å; Q333-I336 PolarHBondContact O-N 3.23Å; S334-I336 VanDerWaalsContact C-N 3.34Å; S334-I336 PolarHBondContact O-N 2.7Å; I336-G340 WeakPolarHBondContact O-CA 3.35Å; I336-G340 PolarHBondContact O-N 3.38Å; I336-F343 HydrophobicContact CD1-CD2 4.08Å; I336-F343 HydrophobicContact CG1-CD2 3.41Å; I336-F343 VanDerWaalsContact CG1-CD2 3.41Å; I336-F343 HydrophobicContact CG1-CE2 3.65Å; I336-F343 HydrophobicContact CG1-CG 4.27Å; I336-F379 HydrophobicContact CD1-CD2 4.19Å; I336-K382 HydrophobicContact CD1-CB 4.27Å; I336-K382 HydrophobicContact CG2-CB 3.65Å; I336-K382 HydrophobicContact CG2-CG 4Å; I336-L383 HydrophobicContact CD1-CB 3.91Å
337Q97.4Very high96.7Very high139 Ų13927.4 Ų27.465%0.6514%0.139SC*.Hα-helixtrans-64.9-39.5178.5-70.3169.7-9.300112.4Q333 S334 V335Q333-Q337 WeakPolarHBondContact O-CG 3.28Å; Q333-Q337 PolarHBondContact O-N 2.57Å; S334-Q337 WeakPolarHBondContact O-CB 3.37Å; S334-Q337 PolarHBondContact O-N 2.88Å; V335-Q337 VanDerWaalsContact C-N 3.3Å; V335-Q337 PolarHBondContact O-N 2.79Å
338I97.9Very high96.4Very high73 Ų7329.9 Ų29.937%0.37416%0.159SC..Hα-helixtrans-71.7-40.8179.9-66.2163.5000111.5S334 V335 A467 Q468 A471 Y475S334-I338 VanDerWaalsContact O-CG1 3.27Å; S334-I338 WeakPolarHBondContact O-CG1 3.48Å; S334-I338 PolarHBondContact O-N 3.02Å; V335-I338 PolarHBondContact O-N 3.13Å; I338-A467 HydrophobicContact CD1-CB 3.86Å; I338-Q468 HydrophobicContact CD1-CG 4.21Å; I338-A471 HydrophobicContact CB-CB 4.16Å; I338-A471 HydrophobicContact CD1-CB 4.44Å; I338-A471 HydrophobicContact CG2-CB 3.52Å; I338-Y475 PolarHBondContact O-OH 3.36Å
339T96.9Very high95.9Very high19 Ų1932.6 Ų32.612%0.11718%0.178CC..Hα-helixtrans-101.2-23.3-167.666.70000114.5V335 Y341 A471 I474 Y475V335-T339 HydrophobicContact CG1-CG2 4.11Å; V335-T339 WeakPolarHBondContact O-CB 3.32Å; V335-T339 WeakPolarHBondContact O-CG2 3.46Å; V335-T339 PolarHBondContact O-N 2.96Å; V335-T339 PolarHBondContact O-OG1 3.35Å; T339-Y341 PolarHBondContact O-N 3.21Å; T339-A471 HydrophobicContact CG2-CB 3.55Å; T339-I474 HydrophobicContact CG2-CD1 4.3Å; T339-Y475 WeakPolarHBondContact CA-OH 3.06Å; T339-Y475 HydrophobicContact CG2-CE2 4.47Å
340G95.3Very high95.6Very high48 Ų4834 Ų3450%0.49518%0.184SC..  trans74.4-7.9-176.200000115.3I336 K382I336-G340 WeakPolarHBondContact O-CA 3.35Å; I336-G340 PolarHBondContact O-N 3.38Å; G340-K382 PolarHBondContact O-NZ 2.91Å
341Y96Very high95.3Very high68 Ų6832.8 Ų32.827%0.26719%0.193SC..  trans-66.1154.2178.8-75.6-74.7000112.1I309 T339 F343 I474 L478I309-Y341 HydrophobicContact CG1-CD1 4.4Å; I309-Y341 HydrophobicContact CG1-CG 4.08Å; T339-Y341 PolarHBondContact O-N 3.21Å; Y341-F343 WeakPolarHBondContact O-CD2 3.32Å; Y341-I474 HydrophobicContact CD2-CG2 4.19Å; Y341-I474 HydrophobicContact CE2-CG2 4.13Å; Y341-L478 HydrophobicContact CE1-CD1 4.22Å; Y341-L478 HydrophobicContact CE2-CD1 3.8Å; Y341-L478 VanDerWaalsContact OH-CD1 3.32Å; Y341-L478 WeakPolarHBondContact OH-CD1 3.49Å
342R97.2Very high95Very high49 Ų4935.8 Ų35.819%0.18521%0.212CC..  trans-90150165.6-67.6177.172.2-178.3-2.6109.2F299 S302 C303 P308 I309 G381 K382F299-R342 HydrophobicContact CE1-CB 4.37Å; F299-R342 HydrophobicContact CZ-CB 4.03Å; S302-R342 VanDerWaalsContact C-NH1 3.3Å; S302-R342 PolarHBondContact O-NH1 3.21Å; S302-R342 PolarHBondContact OG-NH1 3.07Å; S302-R342 PolarHBondContact OG-NH2 2.94Å; C303-R342 PolarHBondContact SG-NH1 3.18Å; C303-R342 VanDerWaalsContact SG-NH1 3.41Å; P308-R342 CarbonylContact C-O 3.55Å; P308-R342 WeakPolarHBondContact CA-O 3.4Å; P308-R342 HydrophobicContact CB-CB 4.29Å; P308-R342 WeakPolarHBondContact CB-O 3.47Å; I309-R342 PolarHBondContact N-O 3.2Å; R342-G381 PolarHBondContact NE-O 3.31Å; R342-K382 CarbonylContact C-O 3.39Å; R342-K382 WeakPolarHBondContact CA-O 3.5Å; R342-K382 HydrophobicContact CG-CD 3.73Å
343F97.6Very high94.8Very high0 Ų036.2 Ų36.20%021%0.214CC..EExtended strand (participates in β ladder)trans-128148.6-175.5-73.2-108.2000110.8I309 V311 V335 I336 Y341 K382 L383 F384 I403 I474I309-F343 HydrophobicContact CB-CD1 3.7Å; I309-F343 HydrophobicContact CB-CE1 3.58Å; I309-F343 HydrophobicContact CB-CG 4.25Å; I309-F343 HydrophobicContact CB-CZ 4.04Å; I309-F343 HydrophobicContact CG1-CE1 4.18Å; I309-F343 HydrophobicContact CG1-CZ 4.15Å; I309-F343 HydrophobicContact CG2-CD1 3.92Å; I309-F343 HydrophobicContact CG2-CE1 3.6Å; I309-F343 HydrophobicContact CG2-CZ 4.36Å; I309-F343 CarbonylContact O-C 3.51Å; I309-F343 WeakPolarHBondContact O-CA 3.47Å; V311-F343 HydrophobicContact CG2-CD1 3.75Å; V311-F343 HydrophobicContact CG2-CE1 4.46Å; V335-F343 HydrophobicContact CG1-CE1 4.33Å; V335-F343 HydrophobicContact CG1-CE2 4.43Å; V335-F343 HydrophobicContact CG1-CZ 3.69Å; I336-F343 HydrophobicContact CD1-CD2 4.08Å; I336-F343 HydrophobicContact CG1-CD2 3.41Å; I336-F343 VanDerWaalsContact CG1-CD2 3.41Å; I336-F343 HydrophobicContact CG1-CE2 3.65Å; I336-F343 HydrophobicContact CG1-CG 4.27Å; Y341-F343 WeakPolarHBondContact O-CD2 3.32Å; F343-K382 PolarHBondContact N-O 2.9Å; F343-L383 HydrophobicContact CB-CD1 3.5Å; F343-L383 VanDerWaalsContact CB-CD1 3.5Å; F343-L383 WeakPolarHBondContact O-CA 3.29Å; F343-F384 PolarHBondContact O-N 2.89Å; F343-I403 HydrophobicContact CE1-CD1 4.05Å; F343-I474 HydrophobicContact CE1-CD1 4.06Å; F343-I474 HydrophobicContact CZ-CD1 3.73Å
344I97Very high94.6Very high0 Ų033.7 Ų33.70%020%0.203CC..EExtended strand (participates in β ladder)trans-120.9123.5170.1-63.5170.1000106.5L296 F299 I300 P308 I309 F310 V311 F346 F384 M395L296-I344 HydrophobicContact CD1-CD1 4.26Å; L296-I344 HydrophobicContact CD1-CG2 4.11Å; F299-I344 HydrophobicContact CD1-CD1 3.95Å; F299-I344 HydrophobicContact CD1-CG1 3.82Å; F299-I344 HydrophobicContact CE1-CD1 4.05Å; F299-I344 HydrophobicContact CE1-CG1 3.56Å; I300-I344 HydrophobicContact CD1-CD1 4.42Å; I300-I344 HydrophobicContact CG1-CD1 3.76Å; P308-I344 HydrophobicContact CB-CD1 4.14Å; P308-I344 HydrophobicContact CB-CG1 4.24Å; P308-I344 HydrophobicContact CG-CD1 3.66Å; P308-I344 HydrophobicContact CG-CG1 4.3Å; I309-I344 PolarHBondContact O-N 2.93Å; F310-I344 CarbonylContact C-O 3.53Å; F310-I344 WeakPolarHBondContact CA-O 3.39Å; F310-I344 HydrophobicContact CD2-CG2 4.36Å; V311-I344 PolarHBondContact N-O 2.91Å; I344-F346 HydrophobicContact CG2-CD1 4.07Å; I344-F346 HydrophobicContact CG2-CE1 3.7Å; I344-F384 CarbonylContact C-O 3.36Å; I344-F384 WeakPolarHBondContact CA-O 3.32Å; I344-F384 HydrophobicContact CG1-CB 4.26Å; I344-F384 HydrophobicContact CG2-CD1 4.33Å; I344-M395 HydrophobicContact CD1-CE 3.29Å; I344-M395 HydrophobicContact CG1-CE 4.47Å; I344-M395 HydrophobicContact CG2-CE 4.34Å
345I96.2Very high94.3Very high2 Ų234.8 Ų34.81%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-114.6128176.4-174.1169.8000111.1V311 F328 L332 L353 L383 F384 C385 F386V311-I345 HydrophobicContact CB-CB 4.15Å; V311-I345 HydrophobicContact CB-CG1 4.08Å; V311-I345 HydrophobicContact CG1-CD1 4.2Å; V311-I345 HydrophobicContact CG1-CG1 4.19Å; V311-I345 WeakPolarHBondContact O-CA 3.31Å; F328-I345 HydrophobicContact CE1-CD1 3.58Å; F328-I345 HydrophobicContact CZ-CD1 3.77Å; L332-I345 HydrophobicContact CD1-CD1 3.9Å; I345-L353 HydrophobicContact CD1-CD2 4.37Å; I345-L383 HydrophobicContact CB-CD1 4.06Å; I345-L383 HydrophobicContact CG2-CD1 3.72Å; I345-L383 HydrophobicContact CG2-CD2 4.43Å; I345-L383 HydrophobicContact CG2-CG 4.13Å; I345-F384 PolarHBondContact N-O 3.3Å; I345-C385 HydrophobicContact CG2-CB 3.9Å; I345-C385 WeakPolarHBondContact CG2-SG 3.39Å; I345-F386 PolarHBondContact O-N 2.93Å
346F94.9Very high94.1Very high13 Ų1335.1 Ų35.16%0.05722%0.216CC..EExtended strand (participates in β ladder)trans-96.4119.2168.7-75.513.3000110L296 F310 V311 I344 A348 F386 V390 Y392 M395L296-F346 HydrophobicContact CD2-CZ 4.35Å; F310-F346 HydrophobicContact CE2-CB 4.24Å; F310-F346 AromaticContact CE2-CD1 3.84Å; F310-F346 HydrophobicContact CE2-CD1 3.84Å; F310-F346 AromaticContact CE2-CD2 3.81Å; F310-F346 HydrophobicContact CE2-CD2 3.81Å; F310-F346 HydrophobicContact CE2-CE1 4.05Å; F310-F346 HydrophobicContact CE2-CE2 4Å; F310-F346 AromaticContact CE2-CG 3.7Å; F310-F346 HydrophobicContact CE2-CG 3.7Å; F310-F346 HydrophobicContact CE2-CZ 4.1Å; F310-F346 HydrophobicContact CZ-CB 4.16Å; F310-F346 AromaticContact CZ-CD2 4Å; F310-F346 HydrophobicContact CZ-CD2 4Å; F310-F346 HydrophobicContact CZ-CE2 4.49Å; F310-F346 HydrophobicContact CZ-CG 4.02Å; V311-F346 PolarHBondContact O-N 2.9Å; I344-F346 HydrophobicContact CG2-CD1 4.07Å; I344-F346 HydrophobicContact CG2-CE1 3.7Å; F346-A348 VanDerWaalsContact C-N 3.31Å; F346-F386 CarbonylContact C-O 3.51Å; F346-F386 VanDerWaalsContact CA-O 3.26Å; F346-F386 WeakPolarHBondContact CA-O 3.5Å; F346-F386 HydrophobicContact CD1-CB 3.9Å; F346-F386 AromaticContact CD1-CD1 3.81Å; F346-F386 HydrophobicContact CD1-CD1 3.81Å; F346-F386 HydrophobicContact CD1-CG 4.36Å; F346-F386 HydrophobicContact CE1-CB 3.99Å; F346-F386 AromaticContact CE1-CD1 3.5Å; F346-F386 HydrophobicContact CE1-CD1 3.5Å; F346-F386 HydrophobicContact CE1-CE1 4.39Å; F346-F386 HydrophobicContact CE1-CG 4.16Å; F346-F386 HydrophobicContact CE2-CD1 4.26Å; F346-F386 HydrophobicContact CG-CD1 4.33Å; F346-F386 AromaticContact CZ-CD1 3.77Å; F346-F386 HydrophobicContact CZ-CD1 3.77Å; F346-F386 HydrophobicContact CZ-CE1 4.25Å; F346-V390 HydrophobicContact CE2-CG2 3.47Å; F346-V390 VanDerWaalsContact CE2-CG2 3.47Å; F346-V390 HydrophobicContact CZ-CG2 3.35Å; F346-Y392 HydrophobicContact CD2-CE1 4.1Å; F346-Y392 HydrophobicContact CE2-CE1 4.16Å; F346-M395 HydrophobicContact CZ-CG 4.27Å; F346-M395 HydrophobicContact CZ-SD 4.13Å
347T92.7Very high93.9Very high3 Ų334.5 Ų34.52%0.01821%0.212CC..  trans-84.3-10.1-174.270.30000113.1S349 Y350 L353 D354 I357 F386 S387T347-S349 PolarHBondContact O-N 3.46Å; T347-S349 PolarHBondContact OG1-N 2.93Å; T347-Y350 VanDerWaalsContact O-CB 3.31Å; T347-Y350 WeakPolarHBondContact O-CB 3.41Å; T347-Y350 PolarHBondContact O-N 3.2Å; T347-L353 HydrophobicContact CG2-CD2 4.04Å; T347-L353 HydrophobicContact CG2-CG 4.13Å; T347-D354 WeakPolarHBondContact CB-OD1 3.43Å; T347-D354 WeakPolarHBondContact CG2-OD1 3.37Å; T347-D354 PolarHBondContact OG1-OD1 3.49Å; T347-I357 HydrophobicContact CG2-CD1 3.46Å; T347-I357 VanDerWaalsContact CG2-CD1 3.46Å; T347-F386 PolarHBondContact N-O 3.02Å; T347-S387 VanDerWaalsContact OG1-CA 3.27Å; T347-S387 WeakPolarHBondContact OG1-CA 3.38Å; T347-S387 VanDerWaalsContact OG1-CB 3.31Å; T347-S387 WeakPolarHBondContact OG1-CB 3.44Å
348A88.4Confident93.7Very high51 Ų5129.1 Ų29.142%0.42119%0.186SC..THydrogen-bonded Turntrans53.831.1-175.100000113.2S314 F346 Y350S314-A348 WeakPolarHBondContact O-CB 3.38Å; F346-A348 VanDerWaalsContact C-N 3.31Å; A348-Y350 PolarHBondContact O-N 2.87Å
349S87Confident93.4Very high60 Ų6027.1 Ų27.142%0.4218%0.177SC..THydrogen-bonded Turntrans55.429.1-175.1-54.20000113.5T347 G351 S387T347-S349 PolarHBondContact O-N 3.46Å; T347-S349 PolarHBondContact OG1-N 2.93Å; S349-G351 PolarHBondContact O-N 2.97Å; S349-G351 VanDerWaalsContact O-N 3.09Å; S349-S387 PolarHBondContact OG-O 3.48Å
350Y89.7Confident93.2Very high30 Ų3028.8 Ų28.812%0.11819%0.185CC..  trans-73.8100.2173.6179.3-127.1000109.8G317 V322 P325 T347 A348 P352 L353 D354G317-Y350 WeakPolarHBondContact O-CE2 3.42Å; V322-Y350 HydrophobicContact CB-CE1 3.85Å; V322-Y350 HydrophobicContact CG1-CE1 4.09Å; V322-Y350 PolarHBondContact O-OH 3.19Å; P325-Y350 HydrophobicContact CG-CE1 4.44Å; T347-Y350 VanDerWaalsContact O-CB 3.31Å; T347-Y350 WeakPolarHBondContact O-CB 3.41Å; T347-Y350 PolarHBondContact O-N 3.2Å; A348-Y350 PolarHBondContact O-N 2.87Å; Y350-P352 HydrophobicContact CD1-CB 4.49Å; Y350-P352 HydrophobicContact CD2-CG 4.35Å; Y350-P352 HydrophobicContact CE1-CB 3.85Å; Y350-P352 HydrophobicContact CE1-CG 4.11Å; Y350-P352 HydrophobicContact CE2-CB 4.36Å; Y350-P352 HydrophobicContact CE2-CG 3.7Å; Y350-L353 HydrophobicContact CD1-CB 3.59Å; Y350-L353 HydrophobicContact CE1-CB 4.31Å; Y350-L353 HydrophobicContact CG-CB 4.43Å; Y350-L353 PolarHBondContact O-N 2.67Å; Y350-D354 PolarHBondContact O-N 3.42Å
351G89.8Confident93.1Very high43 Ų4328.3 Ų28.344%0.44318%0.177SC..Hα-helixtrans-45.9-47.2-172.300000115.9S349 L353 D354 A355S349-G351 PolarHBondContact O-N 2.97Å; S349-G351 VanDerWaalsContact O-N 3.09Å; G351-L353 VanDerWaalsContact C-N 3.32Å; G351-L353 PolarHBondContact O-N 2.82Å; G351-D354 PolarHBondContact O-N 2.89Å; G351-A355 WeakPolarHBondContact O-CB 3.39Å; G351-A355 PolarHBondContact O-N 3.07Å
352P91.8Very high92.6Very high62 Ų6230 Ų3040%0.40319%0.19SC..Hα-helixtrans-60.6-36176.8-27.737000114.4P325 Y350 A356P325-P352 HydrophobicContact CG-CB 3.88Å; Y350-P352 HydrophobicContact CD1-CB 4.49Å; Y350-P352 HydrophobicContact CD2-CG 4.35Å; Y350-P352 HydrophobicContact CE1-CB 3.85Å; Y350-P352 HydrophobicContact CE1-CG 4.11Å; Y350-P352 HydrophobicContact CE2-CB 4.36Å; Y350-P352 HydrophobicContact CE2-CG 3.7Å; P352-A356 WeakPolarHBondContact O-CB 3.1Å; P352-A356 PolarHBondContact O-N 2.98Å
353L93.5Very high91.6Very high9 Ų931 Ų315%0.04722%0.216CC..Hα-helixtrans-73.9-40.9175.8176.860.2000111.6P325 F328 L329 I345 T347 Y350 G351 A355 A356 I357P325-L353 HydrophobicContact CB-CB 4.25Å; P325-L353 HydrophobicContact CB-CD1 4.06Å; F328-L353 HydrophobicContact CD1-CD1 4.14Å; F328-L353 HydrophobicContact CE1-CD2 4.3Å; L329-L353 HydrophobicContact CD1-CD1 4.14Å; L329-L353 HydrophobicContact CD2-CD1 4.06Å; L329-L353 HydrophobicContact CG-CD1 4.05Å; I345-L353 HydrophobicContact CD1-CD2 4.37Å; T347-L353 HydrophobicContact CG2-CD2 4.04Å; T347-L353 HydrophobicContact CG2-CG 4.13Å; Y350-L353 HydrophobicContact CD1-CB 3.59Å; Y350-L353 HydrophobicContact CE1-CB 4.31Å; Y350-L353 HydrophobicContact CG-CB 4.43Å; Y350-L353 PolarHBondContact O-N 2.67Å; G351-L353 VanDerWaalsContact C-N 3.32Å; G351-L353 PolarHBondContact O-N 2.82Å; L353-A355 VanDerWaalsContact C-N 3.3Å; L353-A355 PolarHBondContact O-N 3.45Å; L353-A356 PolarHBondContact O-N 3.21Å; L353-I357 HydrophobicContact CD1-CD1 4.26Å; L353-I357 HydrophobicContact CD1-CG1 4.43Å; L353-I357 HydrophobicContact CG-CD1 4.14Å; L353-I357 VanDerWaalsContact O-CG1 3.32Å; L353-I357 WeakPolarHBondContact O-CG1 3.46Å; L353-I357 PolarHBondContact O-N 3.04Å
354D92.7Very high89.9Confident7 Ų734.5 Ų34.54%0.03724%0.241CC..Hα-helixtrans-59.9-41.9173.6-77.3-0.2000111.2T347 Y350 G351 I357 R358 L372T347-D354 WeakPolarHBondContact CB-OD1 3.43Å; T347-D354 WeakPolarHBondContact CG2-OD1 3.37Å; T347-D354 PolarHBondContact OG1-OD1 3.49Å; Y350-D354 PolarHBondContact O-N 3.42Å; G351-D354 PolarHBondContact O-N 2.89Å; D354-I357 PolarHBondContact O-N 2.77Å; D354-R358 WeakPolarHBondContact O-CG 3.3Å; D354-R358 PolarHBondContact O-N 2.93Å; D354-R358 VanDerWaalsContact O-N 3.11Å; D354-L372 HydrophobicContact CB-CD1 4.16Å; D354-L372 HydrophobicContact CB-CG 4.38Å
355A92.1Very high88.2Confident40 Ų4041.2 Ų41.233%0.33128%0.276SS..Hα-helixtrans-62.4-48.9175.900000111.7G351 L353 I357 R358 T359G351-A355 WeakPolarHBondContact O-CB 3.39Å; G351-A355 PolarHBondContact O-N 3.07Å; L353-A355 VanDerWaalsContact C-N 3.3Å; L353-A355 PolarHBondContact O-N 3.45Å; A355-I357 VanDerWaalsContact C-N 3.29Å; A355-I357 PolarHBondContact O-N 3.3Å; A355-R358 PolarHBondContact O-N 2.86Å; A355-R358 VanDerWaalsContact O-N 3.1Å; A355-T359 PolarHBondContact O-N 2.81Å; A355-T359 PolarHBondContact O-OG1 3.37Å; A355-T359 VanDerWaalsContact O-OG1 3.13Å
356A93.8Very high86.2Confident8 Ų842.4 Ų42.47%0.06629%0.285CS..Hα-helixtrans-59.2-39.1177.600000112.7P325 I326 L329 P352 L353 T359 I360P325-A356 HydrophobicContact CB-CB 3.79Å; I326-A356 HydrophobicContact CG1-CB 3.81Å; L329-A356 HydrophobicContact CD1-CB 3.83Å; P352-A356 WeakPolarHBondContact O-CB 3.1Å; P352-A356 PolarHBondContact O-N 2.98Å; L353-A356 PolarHBondContact O-N 3.21Å; A356-T359 PolarHBondContact O-N 2.83Å; A356-I360 WeakPolarHBondContact O-CG1 3.07Å; A356-I360 PolarHBondContact O-N 3.23Å
357I95Very high84.3Confident0 Ų047.5 Ų47.50%032%0.322CS..Hα-helixtrans-61.6-44.8174.9-72.1163.4000111L329 T347 L353 D354 A355 I360 A361 L372 I376 I378 C385L329-I357 HydrophobicContact CD1-CG1 3.73Å; L329-I357 HydrophobicContact CD2-CG1 3.99Å; T347-I357 HydrophobicContact CG2-CD1 3.46Å; T347-I357 VanDerWaalsContact CG2-CD1 3.46Å; L353-I357 HydrophobicContact CD1-CD1 4.26Å; L353-I357 HydrophobicContact CD1-CG1 4.43Å; L353-I357 HydrophobicContact CG-CD1 4.14Å; L353-I357 VanDerWaalsContact O-CG1 3.32Å; L353-I357 WeakPolarHBondContact O-CG1 3.46Å; L353-I357 PolarHBondContact O-N 3.04Å; D354-I357 PolarHBondContact O-N 2.77Å; A355-I357 VanDerWaalsContact C-N 3.29Å; A355-I357 PolarHBondContact O-N 3.3Å; I357-I360 PolarHBondContact O-N 2.85Å; I357-A361 WeakPolarHBondContact O-CB 3.4Å; I357-A361 PolarHBondContact O-N 3.17Å; I357-L372 HydrophobicContact CB-CD1 4.01Å; I357-L372 HydrophobicContact CD1-CD1 3.99Å; I357-L372 HydrophobicContact CG2-CD1 3.73Å; I357-I376 HydrophobicContact CG2-CG2 3.43Å; I357-I376 VanDerWaalsContact CG2-CG2 3.43Å; I357-I378 HydrophobicContact CG1-CD1 4.48Å; I357-I378 HydrophobicContact CG2-CD1 4.42Å; I357-I378 HydrophobicContact CG2-CG2 4.25Å; I357-C385 HydrophobicContact CD1-CB 3.6Å; I357-C385 HydrophobicContact CG1-CB 4.32Å; I357-C385 HydrophobicContact CG2-CB 3.87Å
358R91.9Very high82.6Confident26 Ų2653 Ų5310%0.09835%0.348CS..Hα-helixtrans-63.9-40.8177.7-67.8175.5-170.2-83.5-9.1111.9D354 A355 I360 A361 N362 S366 E368 Q370 L372D354-R358 WeakPolarHBondContact O-CG 3.3Å; D354-R358 PolarHBondContact O-N 2.93Å; D354-R358 VanDerWaalsContact O-N 3.11Å; A355-R358 PolarHBondContact O-N 2.86Å; A355-R358 VanDerWaalsContact O-N 3.1Å; R358-I360 VanDerWaalsContact C-N 3.32Å; R358-I360 PolarHBondContact O-N 3.14Å; R358-A361 PolarHBondContact O-N 2.84Å; R358-N362 WeakPolarHBondContact O-CB 3.45Å; R358-N362 PolarHBondContact O-N 2.95Å; R358-S366 WeakPolarHBondContact CB-OG 3.36Å; R358-S366 WeakPolarHBondContact CD-OG 3.42Å; R358-E368 PolarHBondContact NE-O 3.32Å; R358-E368 IonicContact NH1-OE2 2.65Å; R358-Q370 PolarHBondContact NH2-O 2.87Å; R358-L372 HydrophobicContact CG-CD2 4.32Å
359T92.6Very high81.4Confident31 Ų3160.4 Ų60.419%0.1937%0.37CS..Hα-helixtrans-60.9-42.2177.2-57.60000111.2A355 A356 G363 D365A355-T359 PolarHBondContact O-N 2.81Å; A355-T359 PolarHBondContact O-OG1 3.37Å; A355-T359 VanDerWaalsContact O-OG1 3.13Å; A356-T359 PolarHBondContact O-N 2.83Å; T359-G363 WeakPolarHBondContact O-CA 2.87Å; T359-G363 PolarHBondContact O-N 3.09Å; T359-D365 PolarHBondContact OG1-OD1 2.78Å
360I92.7Very high80.2Confident54 Ų5464.2 Ų64.228%0.27738%0.382SS..Hα-helixtrans-67.6-40.3174.6-67.5177.9000111.9L329 A356 I357 R358 I378 F379L329-I360 HydrophobicContact CB-CD1 3.73Å; L329-I360 HydrophobicContact CD1-CD1 3.61Å; L329-I360 HydrophobicContact CG-CD1 4.3Å; A356-I360 WeakPolarHBondContact O-CG1 3.07Å; A356-I360 PolarHBondContact O-N 3.23Å; I357-I360 PolarHBondContact O-N 2.85Å; R358-I360 VanDerWaalsContact C-N 3.32Å; R358-I360 PolarHBondContact O-N 3.14Å; I360-I378 HydrophobicContact CG2-CB 4.31Å; I360-I378 HydrophobicContact CG2-CD1 4.17Å; I360-I378 HydrophobicContact CG2-CG2 4.48Å; I360-F379 HydrophobicContact CD1-CE1 4.33Å; I360-F379 HydrophobicContact CD1-CZ 3.98Å; I360-F379 HydrophobicContact CG2-CD1 4.25Å; I360-F379 HydrophobicContact CG2-CE1 3.6Å; I360-F379 HydrophobicContact CG2-CZ 4.1Å
361A91.4Very high79.2Confident39 Ų3965.4 Ų65.432%0.32239%0.393SS..Hα-helixtrans-68.7-42.4-177.600000113.1I357 R358 I376 I378I357-A361 WeakPolarHBondContact O-CB 3.4Å; I357-A361 PolarHBondContact O-N 3.17Å; R358-A361 PolarHBondContact O-N 2.84Å; A361-I376 HydrophobicContact CB-CD1 3.45Å; A361-I376 VanDerWaalsContact CB-CD1 3.45Å; A361-I376 HydrophobicContact CB-CG1 4.33Å; A361-I378 HydrophobicContact CB-CG2 3.71Å
362N86.7Confident78.5Confident102 Ų10263.8 Ų63.855%0.54537%0.374SS..Hα-helixtrans-100.7-10.2-171.1-64.9-22.9000113.6R358 S364R358-N362 WeakPolarHBondContact O-CB 3.45Å; R358-N362 PolarHBondContact O-N 2.95Å; N362-S364 PolarHBondContact O-N 2.96Å
363G76.2Confident77.8Confident71 Ų7164.3 Ų64.373%0.73237%0.371SS*.SBendtrans72.67-177.900000114.9T359T359-G363 WeakPolarHBondContact O-CA 2.87Å; T359-G363 PolarHBondContact O-N 3.09Å
364S62.8Low77.1Confident74 Ų7466.4 Ų66.452%0.51739%0.389SS..SBendtrans-146.3150.4175.864.40000110.8N362 S366N362-S364 PolarHBondContact O-N 2.96Å; S364-S366 PolarHBondContact O-N 3.09Å
365D59.8Low76.9Confident140 Ų14066.8 Ų66.875%0.74940%0.395SS*.  trans-63.6104.2178.3-130.313.5000110T359T359-D365 PolarHBondContact OG1-OD1 2.78Å
366S55Low76.9Confident28 Ų2866.9 Ų66.920%0.19639%0.39CS..  trans-83124.1179.776.60000109.5R358 S364 E368R358-S366 WeakPolarHBondContact CB-OG 3.36Å; R358-S366 WeakPolarHBondContact CD-OG 3.42Å; S364-S366 PolarHBondContact O-N 3.09Å; S366-E368 PolarHBondContact O-N 3.27Å; S366-E368 VanDerWaalsContact O-N 3.17Å
367S55.4Low76.9Confident119 Ų11969 Ų6983%0.83240%0.404SS*.  trans-71.5-1.5174.5620000113.9K369S367-K369 PolarHBondContact O-N 3.2Å; S367-K369 VanDerWaalsContact O-N 3.14Å
368E57.2Low76.9Confident120 Ų12069.3 Ų69.356%0.56141%0.405SS*.  trans-70.9107.1178.9-78.3-170.1161.100111.7R358 S366 Q370R358-E368 PolarHBondContact NE-O 3.32Å; R358-E368 IonicContact NH1-OE2 2.65Å; S366-E368 PolarHBondContact O-N 3.27Å; S366-E368 VanDerWaalsContact O-N 3.17Å; E368-Q370 PolarHBondContact O-N 2.8Å
369K61.4Low77.1Confident206 Ų20669.7 Ų69.790%0.89641%0.408SS*.  trans-80.611174.8-65.1-172.8177.3-176.60114.2S367S367-K369 PolarHBondContact O-N 3.2Å; S367-K369 VanDerWaalsContact O-N 3.14Å
370Q63.6Low77Confident140 Ų14076.1 Ų76.165%0.65444%0.441SS*.  trans-69.6148.2-177.8-68.6-152.50.400110.7R358 E368R358-Q370 PolarHBondContact NH2-O 2.87Å; E368-Q370 PolarHBondContact O-N 2.8Å
371P67.1Low77Confident55 Ų5574.9 Ų74.936%0.35744%0.442SS..  trans-68.9149.9173.3-14.328.3000111.3H373 S387P371-H373 WeakPolarHBondContact CB-NE2 3.32Å; P371-H373 PolarHBondContact O-N 2.78Å; P371-S387 WeakPolarHBondContact CB-OG 3.24Å
372L76.7Confident77.2Confident9 Ų976.9 Ų76.95%0.04744%0.443CS..  trans-76.953.5174.6-66168.8000113D354 I357 R358 A374 G375 I376 C385 S387D354-L372 HydrophobicContact CB-CD1 4.16Å; D354-L372 HydrophobicContact CB-CG 4.38Å; I357-L372 HydrophobicContact CB-CD1 4.01Å; I357-L372 HydrophobicContact CD1-CD1 3.99Å; I357-L372 HydrophobicContact CG2-CD1 3.73Å; R358-L372 HydrophobicContact CG-CD2 4.32Å; L372-A374 PolarHBondContact O-N 3.39Å; L372-G375 PolarHBondContact O-N 2.96Å; L372-G375 VanDerWaalsContact O-N 3.13Å; L372-I376 HydrophobicContact CD1-CG2 3.99Å; L372-I376 HydrophobicContact CD2-CB 4.29Å; L372-I376 HydrophobicContact CD2-CG2 3.72Å; L372-I376 HydrophobicContact CG-CG2 4.42Å; L372-C385 HydrophobicContact CD1-CB 4.45Å; L372-S387 WeakPolarHBondContact CA-OG 3.38Å; L372-S387 PolarHBondContact N-OG 3.46Å; L372-S387 PolarHBondContact O-N 3.49Å; L372-S387 PolarHBondContact O-OG 2.75Å
373H76.9Confident77.7Confident73 Ų7372 Ų7234%0.33842%0.417SS..THydrogen-bonded Turntrans-71.7-25.4-174.5-74.5-43.9000115P371 G375 F386 S387P371-H373 WeakPolarHBondContact CB-NE2 3.32Å; P371-H373 PolarHBondContact O-N 2.78Å; H373-G375 VanDerWaalsContact C-N 3.31Å; H373-F386 WeakPolarHBondContact O-CE2 3.4Å; H373-S387 PolarHBondContact N-OG 2.75Å; H373-S387 PolarHBondContact ND1-OG 3.16Å
374A79Confident78.6Confident52 Ų5268.6 Ų68.643%0.4338%0.382SS..THydrogen-bonded Turntrans-85.3-10.1171.400000112.3E295 L372E295-A374 WeakPolarHBondContact CB-O 3.32Å; L372-A374 PolarHBondContact O-N 3.39Å
375G87.7Confident80.2Confident16 Ų1665.1 Ų65.117%0.16536%0.358CS..  trans75.5160.3-171.600000114.1L372 H373 C385L372-G375 PolarHBondContact O-N 2.96Å; L372-G375 VanDerWaalsContact O-N 3.13Å; H373-G375 VanDerWaalsContact C-N 3.31Å; G375-C385 CarbonylContact C-O 3.58Å; G375-C385 WeakPolarHBondContact CA-O 3.32Å
376I91.9Very high81.8Confident42 Ų4258.5 Ų58.522%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-145.7140176.8-170.6168000109.8I357 A361 L372 C385I357-I376 HydrophobicContact CG2-CG2 3.43Å; I357-I376 VanDerWaalsContact CG2-CG2 3.43Å; A361-I376 HydrophobicContact CB-CD1 3.45Å; A361-I376 VanDerWaalsContact CB-CD1 3.45Å; A361-I376 HydrophobicContact CB-CG1 4.33Å; L372-I376 HydrophobicContact CD1-CG2 3.99Å; L372-I376 HydrophobicContact CD2-CB 4.29Å; L372-I376 HydrophobicContact CD2-CG2 3.72Å; L372-I376 HydrophobicContact CG-CG2 4.42Å; I376-C385 HydrophobicContact CG2-CB 3.88Å; I376-C385 PolarHBondContact N-O 3.34Å; I376-C385 PolarHBondContact O-N 3.25Å
377S93.7Very high83.4Confident51 Ų5157.2 Ų57.236%0.35731%0.314SS..EExtended strand (participates in β ladder)trans-97.8130.1174.5-70.10000111.3L383S377-L383 CarbonylContact C-O 3.5Å; S377-L383 WeakPolarHBondContact CA-O 3.28Å
378I95.1Very high84.9Confident7 Ų751.7 Ų51.74%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-121173.7173.262.8175.5000111.1L329 I357 I360 A361 N380 G381 K382 L383L329-I378 HydrophobicContact CD2-CD1 4.37Å; I357-I378 HydrophobicContact CG1-CD1 4.48Å; I357-I378 HydrophobicContact CG2-CD1 4.42Å; I357-I378 HydrophobicContact CG2-CG2 4.25Å; I360-I378 HydrophobicContact CG2-CB 4.31Å; I360-I378 HydrophobicContact CG2-CD1 4.17Å; I360-I378 HydrophobicContact CG2-CG2 4.48Å; A361-I378 HydrophobicContact CB-CG2 3.71Å; I378-N380 PolarHBondContact O-N 3.25Å; I378-G381 PolarHBondContact O-N 3.45Å; I378-K382 PolarHBondContact O-N 2.93Å; I378-L383 HydrophobicContact CD1-CD2 3.87Å; I378-L383 HydrophobicContact CD1-CG 4.5Å; I378-L383 HydrophobicContact CG1-CB 3.98Å; I378-L383 HydrophobicContact CG1-CD2 3.95Å; I378-L383 HydrophobicContact CG1-CG 4.11Å; I378-L383 PolarHBondContact N-O 2.91Å; I378-L383 PolarHBondContact O-N 3.23Å
379F95.1Very high86.1Confident34 Ų3449.2 Ų49.215%0.14927%0.265CS..THydrogen-bonded Turntrans52.756-178.6-52.1-44.2000113.1L329 Q333 I336 I360 G381 K382 L383L329-F379 HydrophobicContact CB-CZ 4.38Å; L329-F379 WeakPolarHBondContact O-CE2 3.11Å; Q333-F379 HydrophobicContact CB-CD1 4.34Å; Q333-F379 HydrophobicContact CB-CD2 4.05Å; Q333-F379 HydrophobicContact CB-CE1 4.01Å; Q333-F379 HydrophobicContact CB-CE2 3.71Å; Q333-F379 HydrophobicContact CB-CG 4.36Å; Q333-F379 HydrophobicContact CB-CZ 3.69Å; Q333-F379 VanDerWaalsContact CD-CE1 3.48Å; Q333-F379 HydrophobicContact CG-CD1 3.79Å; Q333-F379 HydrophobicContact CG-CD2 4.19Å; Q333-F379 HydrophobicContact CG-CE1 3.81Å; Q333-F379 HydrophobicContact CG-CE2 4.21Å; Q333-F379 HydrophobicContact CG-CG 4Å; Q333-F379 HydrophobicContact CG-CZ 4.03Å; I336-F379 HydrophobicContact CD1-CD2 4.19Å; I360-F379 HydrophobicContact CD1-CE1 4.33Å; I360-F379 HydrophobicContact CD1-CZ 3.98Å; I360-F379 HydrophobicContact CG2-CD1 4.25Å; I360-F379 HydrophobicContact CG2-CE1 3.6Å; I360-F379 HydrophobicContact CG2-CZ 4.1Å; F379-G381 VanDerWaalsContact C-N 3.32Å; F379-G381 PolarHBondContact O-N 2.93Å; F379-K382 WeakPolarHBondContact O-CB 3.23Å; F379-K382 WeakPolarHBondContact O-CG 3.26Å; F379-K382 PolarHBondContact O-N 3.31Å; F379-L383 HydrophobicContact CD2-CB 4.02Å; F379-L383 HydrophobicContact CD2-CD2 3.87Å; F379-L383 HydrophobicContact CE2-CD2 3.79Å
380N92Very high87.3Confident167 Ų16739.5 Ų39.589%0.89322%0.223SC*.THydrogen-bonded Turntrans57.340-179.9-56.7-18.9000113.6I378 K382I378-N380 PolarHBondContact O-N 3.25Å; N380-K382 VanDerWaalsContact C-N 3.27Å; N380-K382 PolarHBondContact O-N 3.01Å
381G92.6Very high88.4Confident28 Ų2832.9 Ų32.929%0.28919%0.192SC..THydrogen-bonded Turntrans76.212178.500000114.5F299 R342 I378 F379F299-G381 VanDerWaalsContact CE2-O 3.27Å; F299-G381 WeakPolarHBondContact CE2-O 3.37Å; R342-G381 PolarHBondContact NE-O 3.31Å; I378-G381 PolarHBondContact O-N 3.45Å; F379-G381 VanDerWaalsContact C-N 3.32Å; F379-G381 PolarHBondContact O-N 2.93Å
382K95.3Very high89.3Confident80 Ų8032 Ų3235%0.34818%0.181SC..THydrogen-bonded Turntrans-89.9-21-179.3-66.5-66.6-166.6165.90113.7I336 G340 R342 F343 I378 F379 N380I336-K382 HydrophobicContact CD1-CB 4.27Å; I336-K382 HydrophobicContact CG2-CB 3.65Å; I336-K382 HydrophobicContact CG2-CG 4Å; G340-K382 PolarHBondContact O-NZ 2.91Å; R342-K382 CarbonylContact C-O 3.39Å; R342-K382 WeakPolarHBondContact CA-O 3.5Å; R342-K382 HydrophobicContact CG-CD 3.73Å; F343-K382 PolarHBondContact N-O 2.9Å; I378-K382 PolarHBondContact O-N 2.93Å; F379-K382 WeakPolarHBondContact O-CB 3.23Å; F379-K382 WeakPolarHBondContact O-CG 3.26Å; F379-K382 PolarHBondContact O-N 3.31Å; N380-K382 VanDerWaalsContact C-N 3.27Å; N380-K382 PolarHBondContact O-N 3.01Å
383L96.9Very high89.5Confident0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-124114.5176.1179.160.8000110.2L329 L332 I336 F343 I345 S377 I378 F379L329-L383 HydrophobicContact CD2-CD2 4.24Å; L332-L383 HydrophobicContact CD1-CD2 4.34Å; I336-L383 HydrophobicContact CD1-CB 3.91Å; F343-L383 HydrophobicContact CB-CD1 3.5Å; F343-L383 VanDerWaalsContact CB-CD1 3.5Å; F343-L383 WeakPolarHBondContact O-CA 3.29Å; I345-L383 HydrophobicContact CB-CD1 4.06Å; I345-L383 HydrophobicContact CG2-CD1 3.72Å; I345-L383 HydrophobicContact CG2-CD2 4.43Å; I345-L383 HydrophobicContact CG2-CG 4.13Å; S377-L383 CarbonylContact C-O 3.5Å; S377-L383 WeakPolarHBondContact CA-O 3.28Å; I378-L383 HydrophobicContact CD1-CD2 3.87Å; I378-L383 HydrophobicContact CD1-CG 4.5Å; I378-L383 HydrophobicContact CG1-CB 3.98Å; I378-L383 HydrophobicContact CG1-CD2 3.95Å; I378-L383 HydrophobicContact CG1-CG 4.11Å; I378-L383 PolarHBondContact N-O 2.91Å; I378-L383 PolarHBondContact O-N 3.23Å; F379-L383 HydrophobicContact CD2-CB 4.02Å; F379-L383 HydrophobicContact CD2-CD2 3.87Å; F379-L383 HydrophobicContact CE2-CD2 3.79Å
384F96.1Very high89.7Confident0 Ų030.4 Ų30.40%017%0.174CC..EExtended strand (participates in β ladder)trans-92.3121.7171.9-172.4-98.3000110.2E295 L296 F299 F343 I344 I345 F386E295-F384 HydrophobicContact CB-CE2 3.97Å; E295-F384 HydrophobicContact CB-CZ 3.94Å; L296-F384 HydrophobicContact CB-CE1 3.68Å; L296-F384 HydrophobicContact CB-CZ 3.91Å; L296-F384 HydrophobicContact CD1-CD1 3.71Å; L296-F384 HydrophobicContact CD1-CE1 3.56Å; L296-F384 HydrophobicContact CG-CE1 4.19Å; F299-F384 HydrophobicContact CB-CD2 3.95Å; F299-F384 HydrophobicContact CB-CE2 4.39Å; F299-F384 HydrophobicContact CB-CG 4.23Å; F299-F384 HydrophobicContact CD1-CB 3.89Å; F299-F384 HydrophobicContact CD1-CG 4.38Å; F299-F384 HydrophobicContact CD2-CB 3.65Å; F299-F384 AromaticContact CD2-CD2 3.87Å; F299-F384 HydrophobicContact CD2-CD2 3.87Å; F299-F384 HydrophobicContact CD2-CG 4.08Å; F299-F384 HydrophobicContact CE1-CB 3.9Å; F299-F384 HydrophobicContact CE2-CB 3.62Å; F299-F384 HydrophobicContact CG-CB 3.77Å; F299-F384 AromaticContact CG-CD2 3.98Å; F299-F384 HydrophobicContact CG-CD2 3.98Å; F299-F384 AromaticContact CG-CG 3.99Å; F299-F384 HydrophobicContact CG-CG 3.99Å; F299-F384 HydrophobicContact CZ-CB 3.75Å; F343-F384 PolarHBondContact O-N 2.89Å; I344-F384 CarbonylContact C-O 3.36Å; I344-F384 WeakPolarHBondContact CA-O 3.32Å; I344-F384 HydrophobicContact CG1-CB 4.26Å; I344-F384 HydrophobicContact CG2-CD1 4.33Å; I345-F384 PolarHBondContact N-O 3.3Å; F384-F386 HydrophobicContact CD1-CB 4.26Å; F384-F386 HydrophobicContact CE1-CB 3.86Å; F384-F386 HydrophobicContact CE1-CD2 4.33Å; F384-F386 HydrophobicContact CE1-CG 4.36Å
385C95.7Very high90.2Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-107.5129.9-178.1-57.10000110.1I345 I357 L372 G375 I376I345-C385 HydrophobicContact CG2-CB 3.9Å; I345-C385 WeakPolarHBondContact CG2-SG 3.39Å; I357-C385 HydrophobicContact CD1-CB 3.6Å; I357-C385 HydrophobicContact CG1-CB 4.32Å; I357-C385 HydrophobicContact CG2-CB 3.87Å; L372-C385 HydrophobicContact CD1-CB 4.45Å; G375-C385 CarbonylContact C-O 3.58Å; G375-C385 WeakPolarHBondContact CA-O 3.32Å; I376-C385 HydrophobicContact CG2-CB 3.88Å; I376-C385 PolarHBondContact N-O 3.34Å; I376-C385 PolarHBondContact O-N 3.25Å
386F92.9Very high90.4Very high1 Ų127.2 Ų27.20%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-140.5129.9-175.4-177.8-114.5000111H293 L296 I345 F346 T347 H373 F384 G388 V390H293-F386 AromaticContact CD2-CZ 3.49Å; H293-F386 VanDerWaalsContact CD2-CZ 3.49Å; H293-F386 WeakPolarHBondContact CD2-CZ 3.29Å; H293-F386 AromaticContact NE2-CZ 3.63Å; L296-F386 HydrophobicContact CD2-CE1 4.49Å; I345-F386 PolarHBondContact O-N 2.93Å; F346-F386 CarbonylContact C-O 3.51Å; F346-F386 VanDerWaalsContact CA-O 3.26Å; F346-F386 WeakPolarHBondContact CA-O 3.5Å; F346-F386 HydrophobicContact CD1-CB 3.9Å; F346-F386 AromaticContact CD1-CD1 3.81Å; F346-F386 HydrophobicContact CD1-CD1 3.81Å; F346-F386 HydrophobicContact CD1-CG 4.36Å; F346-F386 HydrophobicContact CE1-CB 3.99Å; F346-F386 AromaticContact CE1-CD1 3.5Å; F346-F386 HydrophobicContact CE1-CD1 3.5Å; F346-F386 HydrophobicContact CE1-CE1 4.39Å; F346-F386 HydrophobicContact CE1-CG 4.16Å; F346-F386 HydrophobicContact CE2-CD1 4.26Å; F346-F386 HydrophobicContact CG-CD1 4.33Å; F346-F386 AromaticContact CZ-CD1 3.77Å; F346-F386 HydrophobicContact CZ-CD1 3.77Å; F346-F386 HydrophobicContact CZ-CE1 4.25Å; T347-F386 PolarHBondContact N-O 3.02Å; H373-F386 WeakPolarHBondContact O-CE2 3.4Å; F384-F386 HydrophobicContact CD1-CB 4.26Å; F384-F386 HydrophobicContact CE1-CB 3.86Å; F384-F386 HydrophobicContact CE1-CD2 4.33Å; F384-F386 HydrophobicContact CE1-CG 4.36Å; F386-G388 WeakPolarHBondContact CD1-O 3.37Å; F386-G388 WeakPolarHBondContact CE1-O 3.41Å; F386-G388 VanDerWaalsContact CZ-CA 3.49Å; F386-V390 HydrophobicContact CE1-CG1 4.28Å
387S89.9Confident90.3Very high2 Ų233.5 Ų33.51%0.01417%0.167CC..  trans-95-12.3178.273.70000114T347 S349 P371 L372 H373T347-S387 VanDerWaalsContact OG1-CA 3.27Å; T347-S387 WeakPolarHBondContact OG1-CA 3.38Å; T347-S387 VanDerWaalsContact OG1-CB 3.31Å; T347-S387 WeakPolarHBondContact OG1-CB 3.44Å; S349-S387 PolarHBondContact OG-O 3.48Å; P371-S387 WeakPolarHBondContact CB-OG 3.24Å; L372-S387 WeakPolarHBondContact CA-OG 3.38Å; L372-S387 PolarHBondContact N-OG 3.46Å; L372-S387 PolarHBondContact O-N 3.49Å; L372-S387 PolarHBondContact O-OG 2.75Å; H373-S387 PolarHBondContact N-OG 2.75Å; H373-S387 PolarHBondContact ND1-OG 3.16Å
388G85.3Confident90.2Very high3 Ų331.6 Ų31.63%0.03115%0.153CC..SBendtrans-75.7-172.317800000113.3S269 F386S269-G388 WeakPolarHBondContact OG-CA 3.48Å; F386-G388 WeakPolarHBondContact CD1-O 3.37Å; F386-G388 WeakPolarHBondContact CE1-O 3.41Å; F386-G388 VanDerWaalsContact CZ-CA 3.49Å
389M83.2Confident90.2Very high68 Ų6831.4 Ų31.434%0.33515%0.153SC..  trans-127.3139.7-179.5-57.9-163.463.900110.1K20 Q267 F268 S269K20-M389 HydrophobicContact CD-CE 3.92Å; K20-M389 HydrophobicContact CD-SD 4.23Å; K20-M389 VanDerWaalsContact CE-CE 3.42Å; K20-M389 PolarHBondContact NZ-SD 3.35Å; Q267-M389 CarbonylContact O-C 3.59Å; Q267-M389 WeakPolarHBondContact O-CB 3.37Å; F268-M389 CarbonylContact C-O 3.59Å; F268-M389 WeakPolarHBondContact CA-O 3.35Å; S269-M389 PolarHBondContact N-O 2.81Å; S269-M389 WeakPolarHBondContact OG-CB 3.39Å; S269-M389 PolarHBondContact OG-N 2.93Å
390V86Confident90.2Very high2 Ų230.8 Ų30.81%0.01215%0.154CC..  trans-137.8156169-65.60000108.4Q267 F268 L296 F346 F386 Y392 W394 M395Q267-V390 CarbonylContact O-C 3.53Å; Q267-V390 WeakPolarHBondContact O-CA 3.5Å; Q267-V390 PolarHBondContact O-N 3.48Å; F268-V390 HydrophobicContact CD1-CB 4.37Å; F268-V390 HydrophobicContact CD1-CG1 4.11Å; F268-V390 HydrophobicContact CE1-CB 4.32Å; F268-V390 HydrophobicContact CE1-CG1 4.21Å; L296-V390 HydrophobicContact CD2-CG1 4.04Å; L296-V390 HydrophobicContact CD2-CG2 4.25Å; F346-V390 HydrophobicContact CE2-CG2 3.47Å; F346-V390 VanDerWaalsContact CE2-CG2 3.47Å; F346-V390 HydrophobicContact CZ-CG2 3.35Å; F386-V390 HydrophobicContact CE1-CG1 4.28Å; V390-Y392 PolarHBondContact O-N 2.83Å; V390-W394 HydrophobicContact CB-CE3 3.97Å; V390-W394 HydrophobicContact CB-CZ3 3.93Å; V390-W394 HydrophobicContact CG1-CZ3 4.07Å; V390-W394 HydrophobicContact CG2-CE3 4.01Å; V390-W394 HydrophobicContact CG2-CZ3 3.85Å; V390-M395 HydrophobicContact CG2-CB 4.17Å; V390-M395 HydrophobicContact CG2-CG 4.41Å; V390-M395 HydrophobicContact CG2-SD 4.37Å
391P86.8Confident90.5Very high1 Ų122.9 Ų22.91%0.00611%0.112CC..  trans-56.6128.2175.4-20.228.2000112.1N264 Q267 F268 N393 W394 M395N264-P391 HydrophobicContact CB-CG 4.15Å; Q267-P391 HydrophobicContact CB-CB 4.08Å; Q267-P391 HydrophobicContact CB-CG 3.92Å; F268-P391 HydrophobicContact CD1-CG 4.43Å; F268-P391 HydrophobicContact CD2-CG 3.83Å; F268-P391 HydrophobicContact CE1-CG 4.03Å; F268-P391 HydrophobicContact CE2-CG 3.37Å; F268-P391 HydrophobicContact CG-CG 4.36Å; F268-P391 HydrophobicContact CZ-CG 3.49Å; F268-P391 VanDerWaalsContact CZ-CG 3.49Å; P391-N393 WeakPolarHBondContact CB-OD1 3.19Å; P391-W394 HydrophobicContact CB-CB 4.36Å; P391-W394 PolarHBondContact O-N 3.06Å; P391-M395 PolarHBondContact O-N 2.97Å
392Y87.2Confident90.8Very high36 Ų3621.5 Ų21.514%0.14110%0.098CC..Hα-helixtrans-69.5-32.9179.2-76.7-3000112.8F310 F346 V390 W394 M395 F396 A413F310-Y392 AromaticContact CZ-CE1 3.94Å; F310-Y392 HydrophobicContact CZ-CE1 3.94Å; F346-Y392 HydrophobicContact CD2-CE1 4.1Å; F346-Y392 HydrophobicContact CE2-CE1 4.16Å; V390-Y392 PolarHBondContact O-N 2.83Å; Y392-W394 PolarHBondContact O-N 2.99Å; Y392-M395 PolarHBondContact O-N 2.99Å; Y392-F396 HydrophobicContact CD1-CE1 4.38Å; Y392-F396 HydrophobicContact CD1-CZ 4.42Å; Y392-F396 HydrophobicContact CD2-CE1 4.44Å; Y392-F396 AromaticContact CD2-CE2 3.96Å; Y392-F396 HydrophobicContact CD2-CE2 3.96Å; Y392-F396 AromaticContact CD2-CZ 3.71Å; Y392-F396 HydrophobicContact CD2-CZ 3.71Å; Y392-F396 HydrophobicContact CE2-CZ 4.12Å; Y392-F396 HydrophobicContact CG-CE1 4.2Å; Y392-F396 HydrophobicContact CG-CE2 4.14Å; Y392-F396 AromaticContact CG-CZ 3.87Å; Y392-F396 HydrophobicContact CG-CZ 3.87Å; Y392-F396 VanDerWaalsContact O-CB 3.24Å; Y392-F396 WeakPolarHBondContact O-CB 3.27Å; Y392-F396 WeakPolarHBondContact O-CG 3.41Å; Y392-F396 PolarHBondContact O-N 3Å; Y392-A413 HydrophobicContact CD2-CB 4.01Å; Y392-A413 HydrophobicContact CG-CB 4.31Å
393N79.1Confident90.9Very high33 Ų3317.7 Ų17.718%0.1768%0.081CC..Hα-helixtrans-58.2-30174.562.4-13000112.6N264 P391 R397N264-N393 PolarHBondContact OD1-ND2 3.02Å; N264-N393 PolarHBondContact OD1-OD1 2.81Å; P391-N393 WeakPolarHBondContact CB-OD1 3.19Å; N393-R397 VanDerWaalsContact O-CD 3.31Å; N393-R397 WeakPolarHBondContact O-CD 3.48Å; N393-R397 VanDerWaalsContact O-CG 3.31Å; N393-R397 WeakPolarHBondContact O-CG 3.28Å; N393-R397 PolarHBondContact O-NE 3.02Å
394W81.5Confident91Very high16 Ų1617.8 Ų17.86%0.0618%0.082CC..Hα-helixtrans-79.4-57.7170.1169.561000111.4G280 L282 L296 Y297 I300 V390 P391 Y392 F396 R397G280-W394 VanDerWaalsContact C-CD1 3.44Å; G280-W394 PolarHBondContact O-NE1 3.38Å; L282-W394 HydrophobicContact CD1-CZ2 4Å; L296-W394 HydrophobicContact CD2-CH2 4.19Å; L296-W394 HydrophobicContact CD2-CZ3 4.02Å; L296-W394 HydrophobicContact CG-CH2 4.45Å; Y297-W394 HydrophobicContact CD1-CH2 4.16Å; Y297-W394 AromaticContact CD1-CZ2 3.69Å; Y297-W394 HydrophobicContact CD1-CZ2 3.69Å; Y297-W394 AromaticContact CD2-CH2 3.86Å; Y297-W394 HydrophobicContact CD2-CH2 3.86Å; Y297-W394 HydrophobicContact CD2-CZ2 4.23Å; Y297-W394 AromaticContact CE1-CE2 3.88Å; Y297-W394 AromaticContact CE1-CH2 3.78Å; Y297-W394 HydrophobicContact CE1-CH2 3.78Å; Y297-W394 AromaticContact CE1-CZ2 3.17Å; Y297-W394 HydrophobicContact CE1-CZ2 3.17Å; Y297-W394 AromaticContact CE2-CH2 3.45Å; Y297-W394 HydrophobicContact CE2-CH2 3.45Å; Y297-W394 VanDerWaalsContact CE2-CH2 3.45Å; Y297-W394 AromaticContact CE2-CZ2 3.78Å; Y297-W394 HydrophobicContact CE2-CZ2 3.78Å; Y297-W394 HydrophobicContact CE2-CZ3 4.17Å; Y297-W394 HydrophobicContact CG-CH2 4.21Å; Y297-W394 HydrophobicContact CG-CZ2 4.21Å; Y297-W394 AromaticContact CZ-CE2 3.88Å; Y297-W394 AromaticContact CZ-CH2 3.41Å; Y297-W394 VanDerWaalsContact CZ-CH2 3.41Å; Y297-W394 AromaticContact CZ-CZ2 3.23Å; I300-W394 HydrophobicContact CD1-CH2 3.69Å; I300-W394 HydrophobicContact CD1-CZ2 4.06Å; I300-W394 HydrophobicContact CD1-CZ3 4.48Å; V390-W394 HydrophobicContact CB-CE3 3.97Å; V390-W394 HydrophobicContact CB-CZ3 3.93Å; V390-W394 HydrophobicContact CG1-CZ3 4.07Å; V390-W394 HydrophobicContact CG2-CE3 4.01Å; V390-W394 HydrophobicContact CG2-CZ3 3.85Å; P391-W394 HydrophobicContact CB-CB 4.36Å; P391-W394 PolarHBondContact O-N 3.06Å; Y392-W394 PolarHBondContact O-N 2.99Å; W394-F396 VanDerWaalsContact C-N 3.31Å; W394-F396 PolarHBondContact O-N 2.97Å; W394-R397 PolarHBondContact O-N 2.92Å
395M89.7Confident91Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-55.4-45.3-173-17564.5-124.100112L296 I300 F310 I344 F346 V390 P391 Y392 R397 T398 C399L296-M395 HydrophobicContact CD1-SD 4.36Å; L296-M395 HydrophobicContact CD2-SD 4.43Å; I300-M395 HydrophobicContact CD1-CE 3.76Å; I300-M395 HydrophobicContact CD1-SD 3.99Å; I300-M395 HydrophobicContact CG1-CE 4.18Å; F310-M395 HydrophobicContact CD2-CG 4.1Å; F310-M395 HydrophobicContact CE2-CG 4.29Å; I344-M395 HydrophobicContact CD1-CE 3.29Å; I344-M395 HydrophobicContact CG1-CE 4.47Å; I344-M395 HydrophobicContact CG2-CE 4.34Å; F346-M395 HydrophobicContact CZ-CG 4.27Å; F346-M395 HydrophobicContact CZ-SD 4.13Å; V390-M395 HydrophobicContact CG2-CB 4.17Å; V390-M395 HydrophobicContact CG2-CG 4.41Å; V390-M395 HydrophobicContact CG2-SD 4.37Å; P391-M395 PolarHBondContact O-N 2.97Å; Y392-M395 PolarHBondContact O-N 2.99Å; M395-R397 VanDerWaalsContact C-N 3.33Å; M395-R397 PolarHBondContact O-N 3.01Å; M395-T398 WeakPolarHBondContact CE-OG1 3.29Å; M395-T398 PolarHBondContact O-N 2.82Å; M395-T398 VanDerWaalsContact O-N 3.08Å; M395-T398 PolarHBondContact O-OG1 2.77Å; M395-C399 WeakPolarHBondContact CE-SG 3.18Å; M395-C399 PolarHBondContact O-SG 2.89Å; M395-C399 VanDerWaalsContact O-SG 3.35Å
396F93.4Very high91Very high0 Ų018.3 Ų18.30%08%0.084CC..G310 helixtrans-69.5-28.1-175.2-71.7-5.4000113.6F310 Y392 W394 T398 C399 A402 A413 A414 A417 I419F310-F396 HydrophobicContact CB-CE1 4.3Å; F310-F396 HydrophobicContact CD1-CD1 4.36Å; F310-F396 AromaticContact CD1-CE1 3.39Å; F310-F396 HydrophobicContact CD1-CE1 3.39Å; F310-F396 HydrophobicContact CD1-CZ 4.01Å; F310-F396 HydrophobicContact CD2-CE1 4.2Å; F310-F396 AromaticContact CE1-CE1 3.61Å; F310-F396 HydrophobicContact CE1-CE1 3.61Å; F310-F396 AromaticContact CE1-CZ 3.99Å; F310-F396 HydrophobicContact CE1-CZ 3.99Å; F310-F396 HydrophobicContact CE2-CE1 4.39Å; F310-F396 HydrophobicContact CG-CD1 4.29Å; F310-F396 AromaticContact CG-CE1 3.7Å; F310-F396 HydrophobicContact CG-CE1 3.7Å; F310-F396 HydrophobicContact CZ-CE1 4.11Å; Y392-F396 HydrophobicContact CD1-CE1 4.38Å; Y392-F396 HydrophobicContact CD1-CZ 4.42Å; Y392-F396 HydrophobicContact CD2-CE1 4.44Å; Y392-F396 AromaticContact CD2-CE2 3.96Å; Y392-F396 HydrophobicContact CD2-CE2 3.96Å; Y392-F396 AromaticContact CD2-CZ 3.71Å; Y392-F396 HydrophobicContact CD2-CZ 3.71Å; Y392-F396 HydrophobicContact CE2-CZ 4.12Å; Y392-F396 HydrophobicContact CG-CE1 4.2Å; Y392-F396 HydrophobicContact CG-CE2 4.14Å; Y392-F396 AromaticContact CG-CZ 3.87Å; Y392-F396 HydrophobicContact CG-CZ 3.87Å; Y392-F396 VanDerWaalsContact O-CB 3.24Å; Y392-F396 WeakPolarHBondContact O-CB 3.27Å; Y392-F396 WeakPolarHBondContact O-CG 3.41Å; Y392-F396 PolarHBondContact O-N 3Å; W394-F396 VanDerWaalsContact C-N 3.31Å; W394-F396 PolarHBondContact O-N 2.97Å; F396-T398 PolarHBondContact O-N 2.77Å; F396-T398 VanDerWaalsContact O-N 3.14Å; F396-C399 PolarHBondContact O-N 3.44Å; F396-A402 HydrophobicContact CE1-CB 4.13Å; F396-A402 HydrophobicContact CE2-CB 4.49Å; F396-A402 HydrophobicContact CZ-CB 4.1Å; F396-A413 HydrophobicContact CD2-CB 3.99Å; F396-A413 HydrophobicContact CE2-CB 3.81Å; F396-A414 HydrophobicContact CD2-CB 3.94Å; F396-A414 HydrophobicContact CE2-CB 3.85Å; F396-A417 HydrophobicContact CB-CB 3.48Å; F396-A417 VanDerWaalsContact CB-CB 3.48Å; F396-I419 HydrophobicContact CB-CD1 3.57Å; F396-I419 HydrophobicContact CB-CG1 4.2Å; F396-I419 HydrophobicContact CD1-CD1 4.21Å; F396-I419 HydrophobicContact CD2-CD1 4.15Å; F396-I419 HydrophobicContact CG-CD1 3.73Å; F396-I419 WeakPolarHBondContact O-CG2 3.43Å
397R88.7Confident91Very high174 Ų17418.8 Ų18.866%0.6579%0.089SC*.G310 helixtrans-65-17.2173.3-70178-175.3-174.91.4113N393 W394 M395 A417N393-R397 VanDerWaalsContact O-CD 3.31Å; N393-R397 WeakPolarHBondContact O-CD 3.48Å; N393-R397 VanDerWaalsContact O-CG 3.31Å; N393-R397 WeakPolarHBondContact O-CG 3.28Å; N393-R397 PolarHBondContact O-NE 3.02Å; W394-R397 PolarHBondContact O-N 2.92Å; M395-R397 VanDerWaalsContact C-N 3.33Å; M395-R397 PolarHBondContact O-N 3.01Å; R397-A417 HydrophobicContact CG-CB 4.38Å
398T90.8Very high91.1Very high11 Ų1119.1 Ų19.17%0.0679%0.092CC..G310 helixtrans-99.95.3177.874.60000112.8L282 I300 P308 M395 F396L282-T398 HydrophobicContact CD1-CG2 3.19Å; I300-T398 HydrophobicContact CG2-CG2 4.09Å; P308-T398 WeakPolarHBondContact CD-O 3.33Å; M395-T398 WeakPolarHBondContact CE-OG1 3.29Å; M395-T398 PolarHBondContact O-N 2.82Å; M395-T398 VanDerWaalsContact O-N 3.08Å; M395-T398 PolarHBondContact O-OG1 2.77Å; F396-T398 PolarHBondContact O-N 2.77Å; F396-T398 VanDerWaalsContact O-N 3.14Å
399C95.3Very high91.4Very high3 Ų321 Ų212%0.0211%0.111CC..  trans-115.2151.1-178.2-65.20000110.8P308 F310 M395 F396 I419P308-C399 CarbonylContact O-C 3.49Å; P308-C399 VanDerWaalsContact O-CA 3.26Å; P308-C399 WeakPolarHBondContact O-CA 3.42Å; P308-C399 WeakPolarHBondContact O-CB 3.15Å; F310-C399 HydrophobicContact CB-CB 4.37Å; M395-C399 WeakPolarHBondContact CE-SG 3.18Å; M395-C399 PolarHBondContact O-SG 2.89Å; M395-C399 VanDerWaalsContact O-SG 3.35Å; F396-C399 PolarHBondContact O-N 3.44Å; C399-I419 HydrophobicContact CB-CD1 4.44Å
400A96.4Very high92Very high22 Ų2218.2 Ų18.218%0.18210%0.098CC..SBendtrans-78.1-33.7173.700000112.3L307 P308 I309 P420 L478L307-A400 HydrophobicContact CB-CB 4.08Å; P308-A400 PolarHBondContact O-N 2.86Å; I309-A400 HydrophobicContact CD1-CB 3.97Å; A400-P420 WeakPolarHBondContact O-CD 3.17Å; A400-L478 HydrophobicContact CB-CD2 3.84Å; A400-L478 WeakPolarHBondContact O-CD2 3.42Å
401A98Very high92.5Very high0 Ų018.1 Ų18.10%010%0.097CC..EExtended strand (participates in β ladder)trans-160.3167.1176.100000110.2I309 F310 P420 I422 L478I309-A401 HydrophobicContact CD1-CB 3.94Å; F310-A401 PolarHBondContact N-O 3.09Å; A401-P420 VanDerWaalsContact CA-O 3.24Å; A401-P420 WeakPolarHBondContact CA-O 3.47Å; A401-P420 HydrophobicContact CB-CB 4.25Å; A401-P420 WeakPolarHBondContact CB-O 3.26Å; A401-I422 HydrophobicContact CB-CD1 4.39Å; A401-L478 HydrophobicContact CB-CD2 4Å
402A98.3Very high92.9Very high0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-122.3126175.800000111.9F310 F396 H404 I419 P420 Q421 I422F310-A402 HydrophobicContact CB-CB 4.34Å; F310-A402 HydrophobicContact CD1-CB 4.12Å; F396-A402 HydrophobicContact CE1-CB 4.13Å; F396-A402 HydrophobicContact CE2-CB 4.49Å; F396-A402 HydrophobicContact CZ-CB 4.1Å; A402-H404 PolarHBondContact O-CD2 2.59Å; A402-I419 HydrophobicContact CB-CD1 3.78Å; A402-P420 PolarHBondContact N-O 3.1Å; A402-Q421 CarbonylContact O-C 3.54Å; A402-Q421 WeakPolarHBondContact O-CA 3.46Å; A402-I422 PolarHBondContact O-N 2.94Å
403I98.6Very high93.3Very high0 Ų016.9 Ų16.90%010%0.095CC..EExtended strand (participates in β ladder)trans-92.5119.2166.6-55.9174000108I309 F310 V311 G312 F343 I422 L452 V470 I474I309-I403 HydrophobicContact CG2-CD1 3.89Å; I309-I403 HydrophobicContact CG2-CG1 3.93Å; F310-I403 PolarHBondContact O-N 2.75Å; V311-I403 CarbonylContact C-O 3.53Å; V311-I403 VanDerWaalsContact CA-O 3.32Å; V311-I403 WeakPolarHBondContact CA-O 3.4Å; V311-I403 HydrophobicContact CG2-CB 4.3Å; V311-I403 HydrophobicContact CG2-CD1 4.25Å; G312-I403 PolarHBondContact N-O 2.77Å; F343-I403 HydrophobicContact CE1-CD1 4.05Å; I403-I422 VanDerWaalsContact CA-O 3.28Å; I403-I422 WeakPolarHBondContact CA-O 3.32Å; I403-I422 HydrophobicContact CB-CB 4.49Å; I403-I422 HydrophobicContact CD1-CD1 4.37Å; I403-I422 HydrophobicContact CG1-CB 3.94Å; I403-I422 HydrophobicContact CG1-CD1 3.71Å; I403-I422 HydrophobicContact CG1-CG1 4.46Å; I403-I422 HydrophobicContact CG1-CG2 4.21Å; I403-I422 HydrophobicContact CG2-CG2 4.48Å; I403-L452 HydrophobicContact CG2-CD1 3.95Å; I403-V470 HydrophobicContact CD1-CG1 4.15Å; I403-I474 HydrophobicContact CD1-CD1 4.29Å; I403-I474 HydrophobicContact CD1-CG1 4.42Å
404H97.7Very high94.1Very high1 Ų115.3 Ų15.31%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-150.7170.5-179.659.499.6000113.1G312 A402 G406 Q421 I422 I423 C424G312-H404 VanDerWaalsContact O-CA 3.25Å; G312-H404 WeakPolarHBondContact O-CA 3.43Å; G312-H404 VanDerWaalsContact O-CB 3.27Å; G312-H404 WeakPolarHBondContact O-CB 3.29Å; A402-H404 PolarHBondContact O-CD2 2.59Å; H404-G406 PolarHBondContact ND1-N 3.2Å; H404-G406 PolarHBondContact O-N 2.9Å; H404-Q421 PolarHBondContact CE1-OE1 2.94Å; H404-Q421 PolarHBondContact NE2-OE1 3.03Å; H404-Q421 VanDerWaalsContact NE2-OE1 3.07Å; H404-I422 PolarHBondContact N-O 3.12Å; H404-I423 WeakPolarHBondContact O-CA 3.4Å; H404-C424 PolarHBondContact O-N 2.83Å
405H95.7Very high94.9Very high12 Ų1214.6 Ų14.66%0.0568%0.084CC..  trans-75.5-5-177.564.6-73000114.7G312 L313 S314 V316 G407 C424 F426 Q430G312-H405 PolarHBondContact O-ND1 3.44Å; L313-H405 HydrophobicContact CD2-CB 4.27Å; S314-H405 PolarHBondContact OG-CE1 3.06Å; S314-H405 VanDerWaalsContact OG-CE1 3.23Å; V316-H405 HydrophobicContact CG2-CB 3.67Å; H405-G407 PolarHBondContact CD2-N 3.04Å; H405-G407 VanDerWaalsContact CD2-N 3.33Å; H405-G407 WeakPolarHBondContact NE2-CA 3.36Å; H405-G407 PolarHBondContact NE2-N 3Å; H405-C424 VanDerWaalsContact CA-O 3.3Å; H405-C424 WeakPolarHBondContact CA-O 3.35Å; H405-F426 HydrophobicContact CB-CD2 3.84Å; H405-F426 HydrophobicContact CB-CE2 3.84Å; H405-Q430 PolarHBondContact CD2-NE2 3.5Å; H405-Q430 VanDerWaalsContact O-CB 3.26Å; H405-Q430 WeakPolarHBondContact O-CB 3.2Å; H405-Q430 VanDerWaalsContact O-CG 3.24Å; H405-Q430 WeakPolarHBondContact O-CG 3.2Å; H405-Q430 PolarHBondContact O-OE1 2.98Å
406G95.7Very high95.1Very high0 Ų016.9 Ų16.90%09%0.094CC..  trans80.517.5-179.900000116.1H404 I423 Q430 W433H404-G406 PolarHBondContact ND1-N 3.2Å; H404-G406 PolarHBondContact O-N 2.9Å; G406-I423 VanDerWaalsContact CA-CG2 3.45Å; G406-Q430 WeakPolarHBondContact O-CA 3.41Å; G406-W433 VanDerWaalsContact O-CD1 3.31Å
407G93Very high95.2Very high10 Ų1017.6 Ų17.610%0.10310%0.1CC..  trans-62.9144.8170.800000111.6H405 G409 S410 V411H405-G407 PolarHBondContact CD2-N 3.04Å; H405-G407 VanDerWaalsContact CD2-N 3.33Å; H405-G407 WeakPolarHBondContact NE2-CA 3.36Å; H405-G407 PolarHBondContact NE2-N 3Å; G407-G409 VanDerWaalsContact C-N 3.29Å; G407-G409 PolarHBondContact O-N 3.42Å; G407-S410 WeakPolarHBondContact O-CB 3.5Å; G407-S410 PolarHBondContact O-N 2.59Å; G407-V411 WeakPolarHBondContact O-CG2 3.46Å; G407-V411 PolarHBondContact O-N 2.75Å
408S93.1Very high95.6Very high10 Ų109.6 Ų9.67%0.077%0.072CC..Hα-helixtrans-52.9-42.5-171.866.50000113.5P150 V411 A412P150-S408 WeakPolarHBondContact O-CB 3.33Å; P150-S408 PolarHBondContact O-OG 3.02Å; S408-V411 PolarHBondContact O-N 3.01Å; S408-A412 VanDerWaalsContact O-CB 3.29Å; S408-A412 WeakPolarHBondContact O-CB 3.44Å; S408-A412 PolarHBondContact O-N 3.19Å
409G92.4Very high95.9Very high43 Ų439.7 Ų9.744%0.4437%0.072SC..Hα-helixtrans-65.1-37.7177.400000114.1G407 A413G407-G409 VanDerWaalsContact C-N 3.29Å; G407-G409 PolarHBondContact O-N 3.42Å; G409-A413 WeakPolarHBondContact O-CB 3.44Å; G409-A413 PolarHBondContact O-N 3.23Å
410S94.3Very high96Very high8 Ų89.7 Ų9.76%0.0567%0.071CC..Hα-helixtrans-68-42175.1-63.60000111.3G407 A413 A414G407-S410 WeakPolarHBondContact O-CB 3.5Å; G407-S410 PolarHBondContact O-N 2.59Å; S410-A413 PolarHBondContact O-N 2.98Å; S410-A414 PolarHBondContact O-N 3.3Å
411V96.4Very high96.1Very high0 Ų08.6 Ų8.60%06%0.063CC..Hα-helixtrans-61.1-51.1176.6171.80000110.2G407 S408 A413 A414 L415 I423 W433 M437G407-V411 WeakPolarHBondContact O-CG2 3.46Å; G407-V411 PolarHBondContact O-N 2.75Å; S408-V411 PolarHBondContact O-N 3.01Å; V411-A413 VanDerWaalsContact C-N 3.31Å; V411-A413 PolarHBondContact O-N 3.13Å; V411-A414 PolarHBondContact O-N 3.49Å; V411-L415 HydrophobicContact CG1-CD1 3.97Å; V411-L415 HydrophobicContact CG1-CG 4.35Å; V411-L415 WeakPolarHBondContact O-CB 3.35Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 2.75Å; V411-I423 HydrophobicContact CG2-CD1 4.31Å; V411-W433 HydrophobicContact CG1-CD2 4.31Å; V411-W433 HydrophobicContact CG1-CE3 3.97Å; V411-W433 HydrophobicContact CG1-CZ3 4.48Å; V411-W433 HydrophobicContact CG2-CB 3.84Å; V411-W433 HydrophobicContact CG2-CD2 4.5Å; V411-W433 HydrophobicContact CG2-CG 4.06Å; V411-M437 HydrophobicContact CG1-CE 3.95Å; V411-M437 HydrophobicContact CG1-CG 4.02Å; V411-M437 HydrophobicContact CG1-SD 3.73Å
412A95.7Very high96.2Very high4 Ų48.7 Ų8.73%0.0336%0.063CC..Hα-helixtrans-55.4-46.6177.800000111.8F259 F261 S408 L415 Q416F259-A412 HydrophobicContact CB-CB 4.02Å; F259-A412 HydrophobicContact CD1-CB 3.29Å; F259-A412 HydrophobicContact CD2-CB 4.1Å; F259-A412 HydrophobicContact CE1-CB 3.63Å; F259-A412 HydrophobicContact CE2-CB 4.39Å; F259-A412 HydrophobicContact CG-CB 3.54Å; F259-A412 HydrophobicContact CZ-CB 4.17Å; F261-A412 HydrophobicContact CE1-CB 3.76Å; F261-A412 HydrophobicContact CZ-CB 4.04Å; S408-A412 VanDerWaalsContact O-CB 3.29Å; S408-A412 WeakPolarHBondContact O-CB 3.44Å; S408-A412 PolarHBondContact O-N 3.19Å; A412-L415 PolarHBondContact O-N 3.07Å; A412-Q416 WeakPolarHBondContact O-CB 3.3Å; A412-Q416 PolarHBondContact O-N 2.86Å
413A94.7Very high96.2Very high7 Ų78.8 Ų8.86%0.0586%0.064CC..Hα-helixtrans-66-39.1-17900000112.6Y392 F396 G409 S410 V411 Q416 A417Y392-A413 HydrophobicContact CD2-CB 4.01Å; Y392-A413 HydrophobicContact CG-CB 4.31Å; F396-A413 HydrophobicContact CD2-CB 3.99Å; F396-A413 HydrophobicContact CE2-CB 3.81Å; G409-A413 WeakPolarHBondContact O-CB 3.44Å; G409-A413 PolarHBondContact O-N 3.23Å; S410-A413 PolarHBondContact O-N 2.98Å; V411-A413 VanDerWaalsContact C-N 3.31Å; V411-A413 PolarHBondContact O-N 3.13Å; A413-Q416 PolarHBondContact O-N 3.34Å; A413-A417 VanDerWaalsContact O-CB 3.29Å; A413-A417 WeakPolarHBondContact O-CB 3.47Å; A413-A417 PolarHBondContact O-N 2.74Å
414A97.1Very high96.2Very high0 Ų08.8 Ų8.80%06%0.064CC..Hα-helixtrans-70.2-40.5177.800000112.1F396 S410 V411 A417 G418 I419 Q421F396-A414 HydrophobicContact CD2-CB 3.94Å; F396-A414 HydrophobicContact CE2-CB 3.85Å; S410-A414 PolarHBondContact O-N 3.3Å; V411-A414 PolarHBondContact O-N 3.49Å; A414-A417 PolarHBondContact O-N 2.97Å; A414-G418 PolarHBondContact O-N 3.35Å; A414-G418 VanDerWaalsContact O-N 3.11Å; A414-I419 HydrophobicContact CB-CG1 4.14Å; A414-I419 PolarHBondContact O-N 3.25Å; A414-Q421 VanDerWaalsContact CB-CD 3.46Å; A414-Q421 HydrophobicContact CB-CG 3.36Å
415L97.1Very high96.1Very high1 Ų19.1 Ų9.11%0.0057%0.066CC..Hα-helixtrans-59.6-47.9171.5-72178.4000111.5I243 F259 V411 A412 A417 G418 M437 L440 V442 I489 A490 L493I243-L415 HydrophobicContact CD1-CD1 4.36Å; I243-L415 HydrophobicContact CG1-CD1 4.34Å; I243-L415 HydrophobicContact CG2-CD1 4.21Å; F259-L415 HydrophobicContact CE2-CD1 4.04Å; F259-L415 HydrophobicContact CZ-CD1 4.05Å; V411-L415 HydrophobicContact CG1-CD1 3.97Å; V411-L415 HydrophobicContact CG1-CG 4.35Å; V411-L415 WeakPolarHBondContact O-CB 3.35Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 2.75Å; A412-L415 PolarHBondContact O-N 3.07Å; L415-A417 VanDerWaalsContact C-N 3.28Å; L415-A417 PolarHBondContact O-N 3.32Å; L415-G418 PolarHBondContact O-N 3.16Å; L415-G418 VanDerWaalsContact O-N 3.11Å; L415-M437 HydrophobicContact CD1-CE 4.1Å; L415-M437 HydrophobicContact CD1-SD 3.86Å; L415-M437 HydrophobicContact CD2-SD 3.69Å; L415-M437 HydrophobicContact CG-SD 3.97Å; L415-L440 HydrophobicContact CD2-CD2 4.34Å; L415-V442 HydrophobicContact CD2-CB 4.48Å; L415-V442 HydrophobicContact CD2-CG1 4.45Å; L415-V442 HydrophobicContact CD2-CG2 3.88Å; L415-I489 HydrophobicContact CB-CG2 4.48Å; L415-I489 HydrophobicContact CD2-CG2 3.82Å; L415-A490 WeakPolarHBondContact O-CA 3.45Å; L415-A490 VanDerWaalsContact O-CB 3.26Å; L415-A490 WeakPolarHBondContact O-CB 3.43Å; L415-L493 HydrophobicContact CB-CD1 3.58Å; L415-L493 HydrophobicContact CD1-CD1 4.21Å; L415-L493 HydrophobicContact CG-CD1 4.48Å
416Q95.1Very high96Very high49 Ų499.4 Ų9.423%0.2297%0.067CC..Hα-helixtrans-63.7-33.3178.3-173.1-177.754.900112.6F261 A412 A413 G418F261-Q416 HydrophobicContact CE1-CB 4.01Å; F261-Q416 HydrophobicContact CE1-CG 4.44Å; F261-Q416 HydrophobicContact CE2-CB 4.47Å; F261-Q416 HydrophobicContact CE2-CG 4.38Å; F261-Q416 VanDerWaalsContact CE2-NE2 3.27Å; F261-Q416 HydrophobicContact CZ-CB 3.69Å; F261-Q416 HydrophobicContact CZ-CG 4.04Å; A412-Q416 WeakPolarHBondContact O-CB 3.3Å; A412-Q416 PolarHBondContact O-N 2.86Å; A413-Q416 PolarHBondContact O-N 3.34Å; Q416-G418 VanDerWaalsContact C-N 3.28Å
417A94.8Very high95.8Very high15 Ų1511.6 Ų11.612%0.1248%0.078CC..Hα-helixtrans-77.9-12.7177.100000113.5F396 R397 A413 A414 L415 I419F396-A417 HydrophobicContact CB-CB 3.48Å; F396-A417 VanDerWaalsContact CB-CB 3.48Å; R397-A417 HydrophobicContact CG-CB 4.38Å; A413-A417 VanDerWaalsContact O-CB 3.29Å; A413-A417 WeakPolarHBondContact O-CB 3.47Å; A413-A417 PolarHBondContact O-N 2.74Å; A414-A417 PolarHBondContact O-N 2.97Å; L415-A417 VanDerWaalsContact C-N 3.28Å; L415-A417 PolarHBondContact O-N 3.32Å; A417-I419 VanDerWaalsContact C-N 3.33Å; A417-I419 HydrophobicContact CB-CG1 4.35Å; A417-I419 HydrophobicContact CB-CG2 4.44Å
418G96.7Very high95.5Very high5 Ų514.7 Ų14.75%0.0529%0.092CC..THydrogen-bonded Turntrans70.626.2-178.500000114.2A414 L415 Q416 A486A414-G418 PolarHBondContact O-N 3.35Å; A414-G418 VanDerWaalsContact O-N 3.11Å; L415-G418 PolarHBondContact O-N 3.16Å; L415-G418 VanDerWaalsContact O-N 3.11Å; Q416-G418 VanDerWaalsContact C-N 3.28Å; G418-A486 WeakPolarHBondContact CA-O 3.49Å; G418-A486 WeakPolarHBondContact O-CB 3.47Å
419I97.4Very high95.5Very high13 Ų1315.1 Ų15.17%0.0679%0.093CC..  trans-103.6145.5179.565.7163.6000112.2F396 C399 A402 A414 A417F396-I419 HydrophobicContact CB-CD1 3.57Å; F396-I419 HydrophobicContact CB-CG1 4.2Å; F396-I419 HydrophobicContact CD1-CD1 4.21Å; F396-I419 HydrophobicContact CD2-CD1 4.15Å; F396-I419 HydrophobicContact CG-CD1 3.73Å; F396-I419 WeakPolarHBondContact O-CG2 3.43Å; C399-I419 HydrophobicContact CB-CD1 4.44Å; A402-I419 HydrophobicContact CB-CD1 3.78Å; A414-I419 HydrophobicContact CB-CG1 4.14Å; A414-I419 PolarHBondContact O-N 3.25Å; A417-I419 VanDerWaalsContact C-N 3.33Å; A417-I419 HydrophobicContact CB-CG1 4.35Å; A417-I419 HydrophobicContact CB-CG2 4.44Å
420P98.5Very high95.6Very high3 Ų313.7 Ų13.72%0.0198%0.075CC..  trans-57.4146.8168.1-24.933.9000112.9A400 A401 A402 V442 A477 T482 R483A400-P420 WeakPolarHBondContact O-CD 3.17Å; A401-P420 VanDerWaalsContact CA-O 3.24Å; A401-P420 WeakPolarHBondContact CA-O 3.47Å; A401-P420 HydrophobicContact CB-CB 4.25Å; A401-P420 WeakPolarHBondContact CB-O 3.26Å; A402-P420 PolarHBondContact N-O 3.1Å; P420-V442 WeakPolarHBondContact CA-O 2.91Å; P420-A477 HydrophobicContact CB-CB 3.98Å; P420-A477 WeakPolarHBondContact CB-O 3.36Å; P420-A477 WeakPolarHBondContact CG-O 3.46Å; P420-T482 HydrophobicContact CB-CG2 4Å; P420-T482 HydrophobicContact CG-CG2 4.28Å; P420-R483 HydrophobicContact CG-CB 4.45Å; P420-R483 HydrophobicContact CG-CG 3.63Å
421Q98.6Very high95.6Very high0 Ų018.2 Ų18.20%09%0.094CC..EExtended strand (participates in β ladder)trans-114.5152.7179.6-67.2171.875.800110.9A402 H404 A414 I423 V442 A443 P444A402-Q421 CarbonylContact O-C 3.54Å; A402-Q421 WeakPolarHBondContact O-CA 3.46Å; H404-Q421 PolarHBondContact CE1-OE1 2.94Å; H404-Q421 PolarHBondContact NE2-OE1 3.03Å; H404-Q421 VanDerWaalsContact NE2-OE1 3.07Å; A414-Q421 VanDerWaalsContact CB-CD 3.46Å; A414-Q421 HydrophobicContact CB-CG 3.36Å; Q421-I423 HydrophobicContact CB-CD1 4.28Å; Q421-I423 HydrophobicContact CB-CG1 4.11Å; Q421-V442 PolarHBondContact N-O 3.27Å; Q421-A443 HydrophobicContact CB-CB 4.14Å; Q421-A443 VanDerWaalsContact O-CA 3.28Å; Q421-A443 WeakPolarHBondContact O-CA 3.43Å; Q421-A443 VanDerWaalsContact O-CB 3.27Å; Q421-A443 WeakPolarHBondContact O-CB 3.4Å; Q421-P444 WeakPolarHBondContact O-CD 3.15Å
422I98.8Very high95.5Very high1 Ų122.1 Ų22.11%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-132.5107.9171.6-60.6150.4000106.4A401 A402 I403 H404 P444 L447 A473 I474 A477A401-I422 HydrophobicContact CB-CD1 4.39Å; A402-I422 PolarHBondContact O-N 2.94Å; I403-I422 VanDerWaalsContact CA-O 3.28Å; I403-I422 WeakPolarHBondContact CA-O 3.32Å; I403-I422 HydrophobicContact CB-CB 4.49Å; I403-I422 HydrophobicContact CD1-CD1 4.37Å; I403-I422 HydrophobicContact CG1-CB 3.94Å; I403-I422 HydrophobicContact CG1-CD1 3.71Å; I403-I422 HydrophobicContact CG1-CG1 4.46Å; I403-I422 HydrophobicContact CG1-CG2 4.21Å; I403-I422 HydrophobicContact CG2-CG2 4.48Å; H404-I422 PolarHBondContact N-O 3.12Å; I422-P444 HydrophobicContact CG1-CG 4.25Å; I422-L447 HydrophobicContact CG2-CD1 3.62Å; I422-L447 HydrophobicContact CG2-CG 4.06Å; I422-A473 HydrophobicContact CG2-CB 3.99Å; I422-I474 HydrophobicContact CD1-CB 4.31Å; I422-I474 HydrophobicContact CD1-CG1 3.63Å; I422-A477 HydrophobicContact CD1-CB 4.05Å; I422-A477 HydrophobicContact CG1-CB 3.7Å
423I98.7Very high95.6Very high3 Ų322 Ų222%0.01511%0.108CC..EExtended strand (participates in β ladder)trans-107.2127-165.4-54.5-177.6000110.5H404 G406 V411 Q421 A434 M437 L447H404-I423 WeakPolarHBondContact O-CA 3.4Å; G406-I423 VanDerWaalsContact CA-CG2 3.45Å; V411-I423 HydrophobicContact CG2-CD1 4.31Å; Q421-I423 HydrophobicContact CB-CD1 4.28Å; Q421-I423 HydrophobicContact CB-CG1 4.11Å; I423-A434 HydrophobicContact CB-CB 3.89Å; I423-A434 HydrophobicContact CG2-CB 3.5Å; I423-M437 HydrophobicContact CD1-CB 3.82Å; I423-M437 HydrophobicContact CD1-CG 3.62Å; I423-L447 PolarHBondContact O-N 3.42Å
424C98.2Very high95.7Very high0 Ų021.7 Ų21.70%011%0.105CC..  trans-114.691.6171.6-177.80000109.1H404 H405 F426 L447 L452H404-C424 PolarHBondContact O-N 2.83Å; H405-C424 VanDerWaalsContact CA-O 3.3Å; H405-C424 WeakPolarHBondContact CA-O 3.35Å; C424-F426 HydrophobicContact CB-CE2 4.3Å; C424-F426 HydrophobicContact CB-CZ 4.37Å; C424-F426 WeakPolarHBondContact O-CD2 2.83Å; C424-F426 WeakPolarHBondContact O-CE2 3.46Å; C424-F426 VanDerWaalsContact SG-CZ 3.55Å; C424-L447 HydrophobicContact CB-CB 3.87Å; C424-L447 HydrophobicContact CB-CD1 4.34Å; C424-L452 HydrophobicContact CB-CD1 3.55Å
425P96.5Very high95.7Very high8 Ų828 Ų285%0.05214%0.135CC..  trans-73.5147.5-17931.5-37.3000112.8Q430 F431 A434 P446 L447P425-Q430 VanDerWaalsContact CB-C 3.48Å; P425-Q430 HydrophobicContact CB-CB 3.71Å; P425-F431 HydrophobicContact CB-CB 4.39Å; P425-F431 HydrophobicContact CB-CD1 3.55Å; P425-F431 HydrophobicContact CB-CD2 4.45Å; P425-F431 HydrophobicContact CB-CE1 3.82Å; P425-F431 HydrophobicContact CB-CG 3.88Å; P425-F431 HydrophobicContact CB-CZ 4.39Å; P425-F431 HydrophobicContact CG-CD1 3.46Å; P425-F431 VanDerWaalsContact CG-CD1 3.46Å; P425-F431 HydrophobicContact CG-CE1 3.73Å; P425-F431 HydrophobicContact CG-CG 4.24Å; P425-A434 HydrophobicContact CB-CB 4.25Å; P425-A434 HydrophobicContact CG-CB 3.85Å; P425-P446 HydrophobicContact CG-CB 4.4Å; P425-L447 WeakPolarHBondContact CD-O 3.45Å
426F93.3Very high95.7Very high17 Ų1729 Ų298%0.07514%0.139CC..  trans-123.1-34.8178.4-59.9-88.1000112.9L313 V316 F321 H405 C424 R449 L453L313-F426 HydrophobicContact CD1-CZ 4.5Å; L313-F426 HydrophobicContact CD2-CE2 4.15Å; L313-F426 HydrophobicContact CD2-CZ 4.47Å; V316-F426 HydrophobicContact CB-CD2 4.38Å; V316-F426 HydrophobicContact CB-CE2 4.49Å; V316-F426 HydrophobicContact CG1-CD1 3.93Å; V316-F426 HydrophobicContact CG1-CD2 3.76Å; V316-F426 HydrophobicContact CG1-CE1 3.97Å; V316-F426 HydrophobicContact CG1-CE2 3.77Å; V316-F426 HydrophobicContact CG1-CG 3.83Å; V316-F426 HydrophobicContact CG1-CZ 3.89Å; V316-F426 HydrophobicContact CG2-CD2 3.62Å; V316-F426 HydrophobicContact CG2-CE2 4.03Å; V316-F426 HydrophobicContact CG2-CG 4.18Å; F321-F426 HydrophobicContact CB-CD1 4.15Å; F321-F426 HydrophobicContact CD1-CB 4.17Å; F321-F426 AromaticContact CD1-CD1 3.96Å; F321-F426 HydrophobicContact CD1-CD1 3.96Å; F321-F426 HydrophobicContact CD1-CG 4.46Å; F321-F426 HydrophobicContact CD2-CB 4.37Å; F321-F426 HydrophobicContact CE1-CB 4.04Å; F321-F426 HydrophobicContact CE2-CB 4.24Å; F321-F426 HydrophobicContact CG-CB 4.34Å; F321-F426 HydrophobicContact CG-CD1 4.07Å; F321-F426 HydrophobicContact CG-CG 4.44Å; F321-F426 HydrophobicContact CZ-CB 4.07Å; H405-F426 HydrophobicContact CB-CD2 3.84Å; H405-F426 HydrophobicContact CB-CE2 3.84Å; C424-F426 HydrophobicContact CB-CE2 4.3Å; C424-F426 HydrophobicContact CB-CZ 4.37Å; C424-F426 WeakPolarHBondContact O-CD2 2.83Å; C424-F426 WeakPolarHBondContact O-CE2 3.46Å; C424-F426 VanDerWaalsContact SG-CZ 3.55Å; F426-R449 HydrophobicContact CD1-CB 4.33Å; F426-R449 HydrophobicContact CD1-CG 4.14Å; F426-R449 HydrophobicContact CE1-CB 4.16Å; F426-R449 HydrophobicContact CE1-CG 3.87Å; F426-L453 HydrophobicContact CD1-CD1 4.32Å; F426-L453 HydrophobicContact CE1-CD1 3.36Å; F426-L453 HydrophobicContact CE1-CG 3.99Å; F426-L453 HydrophobicContact CZ-CD1 3.71Å; F426-L453 HydrophobicContact CZ-CG 4.15Å
427M90.4Very high95.8Very high47 Ų4726.6 Ų26.623%0.23213%0.128CC..SBendtrans-159.2161.1-174.262.7-174.4-73.200113.5M319 F321 Q430M319-M427 HydrophobicContact CE-CE 3.35Å; M319-M427 HydrophobicContact CE-SD 3.14Å; M319-M427 WeakPolarHBondContact CE-SD 3.45Å; M319-M427 HydrophobicContact SD-SD 3.78Å; F321-M427 HydrophobicContact CE2-SD 3.86Å; F321-M427 HydrophobicContact CZ-CB 4.36Å; F321-M427 HydrophobicContact CZ-SD 4.21Å; M427-Q430 WeakPolarHBondContact O-CB 3.23Å; M427-Q430 WeakPolarHBondContact O-CG 3.41Å; M427-Q430 PolarHBondContact O-N 3.49Å; M427-Q430 PolarHBondContact O-OE1 2.9Å
428L88.7Confident96Very high74 Ų7426.9 Ų26.939%0.38713%0.129SC..THydrogen-bonded Turntrans52.5-134.5169.6-56.2-179.6000113F130 P154 Q430F130-L428 HydrophobicContact CE1-CD1 4.5Å; F130-L428 HydrophobicContact CZ-CD1 4.04Å; P154-L428 HydrophobicContact CB-CB 3.89Å; P154-L428 HydrophobicContact CB-CD2 4.15Å; P154-L428 HydrophobicContact CB-CG 4.49Å; L428-Q430 PolarHBondContact O-N 2.97Å
429D91.7Very high96Very high19 Ų1935.5 Ų35.510%0.10216%0.16CC..THydrogen-bonded Turntrans-67.3-13.4-176.368.7-36.3000113.4Y151 P154 F431 Y432 W433Y151-D429 VanDerWaalsContact CB-OD2 3.28Å; Y151-D429 WeakPolarHBondContact CB-OD2 3.48Å; P154-D429 HydrophobicContact CB-CB 4.46Å; D429-F431 PolarHBondContact O-N 3.28Å; D429-Y432 WeakPolarHBondContact O-CB 3.18Å; D429-Y432 PolarHBondContact O-N 3.27Å; D429-Y432 VanDerWaalsContact O-N 3.08Å; D429-W433 PolarHBondContact O-N 3.13Å; D429-W433 VanDerWaalsContact OD2-CD1 3.3Å; D429-W433 PolarHBondContact OD2-NE1 3.31Å
430Q94.3Very high96Very high13 Ų1335.5 Ų35.56%0.06116%0.16CC..Hα-helixtrans-56.8-38.9178.7-61.5167.98.700111.9H405 G406 P425 M427 L428 W433 A434H405-Q430 PolarHBondContact CD2-NE2 3.5Å; H405-Q430 VanDerWaalsContact O-CB 3.26Å; H405-Q430 WeakPolarHBondContact O-CB 3.2Å; H405-Q430 VanDerWaalsContact O-CG 3.24Å; H405-Q430 WeakPolarHBondContact O-CG 3.2Å; H405-Q430 PolarHBondContact O-OE1 2.98Å; G406-Q430 WeakPolarHBondContact O-CA 3.41Å; P425-Q430 VanDerWaalsContact CB-C 3.48Å; P425-Q430 HydrophobicContact CB-CB 3.71Å; M427-Q430 WeakPolarHBondContact O-CB 3.23Å; M427-Q430 WeakPolarHBondContact O-CG 3.41Å; M427-Q430 PolarHBondContact O-N 3.49Å; M427-Q430 PolarHBondContact O-OE1 2.9Å; L428-Q430 PolarHBondContact O-N 2.97Å; Q430-W433 PolarHBondContact O-N 3.34Å; Q430-A434 WeakPolarHBondContact O-CB 3.47Å; Q430-A434 PolarHBondContact O-N 2.91Å
431F95.1Very high96Very high104 Ų10436.5 Ų36.546%0.45617%0.171SC..Hα-helixtrans-64.8-44.7177.5-66.3-77.1000111.5P425 D429 W433 A434 E435P425-F431 HydrophobicContact CB-CB 4.39Å; P425-F431 HydrophobicContact CB-CD1 3.55Å; P425-F431 HydrophobicContact CB-CD2 4.45Å; P425-F431 HydrophobicContact CB-CE1 3.82Å; P425-F431 HydrophobicContact CB-CG 3.88Å; P425-F431 HydrophobicContact CB-CZ 4.39Å; P425-F431 HydrophobicContact CG-CD1 3.46Å; P425-F431 VanDerWaalsContact CG-CD1 3.46Å; P425-F431 HydrophobicContact CG-CE1 3.73Å; P425-F431 HydrophobicContact CG-CG 4.24Å; D429-F431 PolarHBondContact O-N 3.28Å; F431-W433 PolarHBondContact O-N 3.34Å; F431-A434 PolarHBondContact O-N 3.02Å; F431-E435 PolarHBondContact O-N 3.35Å; F431-E435 VanDerWaalsContact O-N 3.11Å
432Y94.6Very high96Very high82 Ų8236.5 Ų36.532%0.32217%0.171SC..Hα-helixtrans-58.8-49175.5170.9-91.6000110.9V152 V244 D429 A434 E435 K436V152-Y432 HydrophobicContact CB-CD1 4.22Å; V152-Y432 HydrophobicContact CB-CE1 4.32Å; V152-Y432 HydrophobicContact CG1-CD1 4.42Å; V152-Y432 HydrophobicContact CG1-CE1 4.43Å; V152-Y432 HydrophobicContact CG2-CD1 4Å; V152-Y432 HydrophobicContact CG2-CE1 3.67Å; V244-Y432 HydrophobicContact CG2-CE1 4.27Å; D429-Y432 WeakPolarHBondContact O-CB 3.18Å; D429-Y432 PolarHBondContact O-N 3.27Å; D429-Y432 VanDerWaalsContact O-N 3.08Å; Y432-A434 VanDerWaalsContact C-N 3.35Å; Y432-A434 PolarHBondContact O-N 2.82Å; Y432-E435 PolarHBondContact O-N 2.77Å; Y432-K436 HydrophobicContact CE1-CB 4.17Å; Y432-K436 HydrophobicContact CE1-CG 4.38Å; Y432-K436 WeakPolarHBondContact O-CB 3.2Å; Y432-K436 PolarHBondContact O-N 3.27Å
433W96.3Very high96Very high0 Ų036.9 Ų36.90%017%0.174CC..Hα-helixtrans-63-41.6179.7-70.4121.4000112.5V152 F239 I243 V244 F259 G406 V411 D429 Q430 F431 E435 K436 M437V152-W433 HydrophobicContact CG2-CH2 4.01Å; V152-W433 HydrophobicContact CG2-CZ2 3.75Å; F239-W433 HydrophobicContact CB-CH2 3.86Å; F239-W433 HydrophobicContact CB-CZ2 4.39Å; F239-W433 HydrophobicContact CG-CH2 4.42Å; I243-W433 HydrophobicContact CG2-CZ3 4.22Å; V244-W433 HydrophobicContact CG2-CH2 3.62Å; V244-W433 HydrophobicContact CG2-CZ3 3.74Å; F259-W433 HydrophobicContact CE1-CH2 4.2Å; F259-W433 HydrophobicContact CZ-CH2 4.36Å; G406-W433 VanDerWaalsContact O-CD1 3.31Å; V411-W433 HydrophobicContact CG1-CD2 4.31Å; V411-W433 HydrophobicContact CG1-CE3 3.97Å; V411-W433 HydrophobicContact CG1-CZ3 4.48Å; V411-W433 HydrophobicContact CG2-CB 3.84Å; V411-W433 HydrophobicContact CG2-CD2 4.5Å; V411-W433 HydrophobicContact CG2-CG 4.06Å; D429-W433 PolarHBondContact O-N 3.13Å; D429-W433 VanDerWaalsContact OD2-CD1 3.3Å; D429-W433 PolarHBondContact OD2-NE1 3.31Å; Q430-W433 PolarHBondContact O-N 3.34Å; F431-W433 PolarHBondContact O-N 3.34Å; W433-E435 VanDerWaalsContact C-N 3.34Å; W433-E435 PolarHBondContact O-N 2.84Å; W433-K436 PolarHBondContact O-N 3.4Å; W433-M437 HydrophobicContact CE3-CE 3.96Å; W433-M437 HydrophobicContact CZ3-CE 4.25Å; W433-M437 WeakPolarHBondContact O-CB 3.5Å; W433-M437 WeakPolarHBondContact O-CG 3.46Å; W433-M437 PolarHBondContact O-N 2.92Å
434A97.5Very high96Very high1 Ų137.5 Ų37.51%0.00818%0.179CC..Hα-helixtrans-58.2-47.517800000111.5I423 P425 Q430 F431 Y432 S438 P446I423-A434 HydrophobicContact CB-CB 3.89Å; I423-A434 HydrophobicContact CG2-CB 3.5Å; P425-A434 HydrophobicContact CB-CB 4.25Å; P425-A434 HydrophobicContact CG-CB 3.85Å; Q430-A434 WeakPolarHBondContact O-CB 3.47Å; Q430-A434 PolarHBondContact O-N 2.91Å; F431-A434 PolarHBondContact O-N 3.02Å; Y432-A434 VanDerWaalsContact C-N 3.35Å; Y432-A434 PolarHBondContact O-N 2.82Å; A434-S438 PolarHBondContact O-N 2.73Å; A434-P446 HydrophobicContact CB-CB 3.77Å; A434-P446 HydrophobicContact CB-CG 3.62Å
435E97Very high96Very high134 Ų13444.4 Ų44.463%0.62621%0.211SC*.Hα-helixtrans-67.6-44.4177.1-70-175175.600112F431 Y432 W433 M437 S438 W439 P446F431-E435 PolarHBondContact O-N 3.35Å; F431-E435 VanDerWaalsContact O-N 3.11Å; Y432-E435 PolarHBondContact O-N 2.77Å; W433-E435 VanDerWaalsContact C-N 3.34Å; W433-E435 PolarHBondContact O-N 2.84Å; E435-M437 PolarHBondContact O-N 2.94Å; E435-S438 WeakPolarHBondContact O-CB 3.13Å; E435-S438 PolarHBondContact O-N 2.77Å; E435-W439 WeakPolarHBondContact O-CB 3.45Å; E435-W439 PolarHBondContact O-N 2.95Å; E435-P446 HydrophobicContact CG-CG 4.23Å
436K96.9Very high96.1Very high20 Ų2045.9 Ų45.99%0.08722%0.22CC..Hα-helixtrans-64.1-39.9-178.3-170.159.1172.9179.10111.9I243 E245 Y432 W433 W439 L440I243-K436 WeakPolarHBondContact O-CE 3.25Å; E245-K436 IonicContact OE1-NZ 2.87Å; E245-K436 PolarHBondContact OE1-NZ 3.32Å; Y432-K436 HydrophobicContact CE1-CB 4.17Å; Y432-K436 HydrophobicContact CE1-CG 4.38Å; Y432-K436 WeakPolarHBondContact O-CB 3.2Å; Y432-K436 PolarHBondContact O-N 3.27Å; W433-K436 PolarHBondContact O-N 3.4Å; K436-W439 HydrophobicContact CD-CE3 4.2Å; K436-W439 PolarHBondContact O-N 3Å; K436-L440 VanDerWaalsContact O-CB 3.24Å; K436-L440 WeakPolarHBondContact O-CB 3.5Å; K436-L440 PolarHBondContact O-N 2.89Å
437M98.1Very high96.3Very high0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-67.3-37.4176.7-68.3-51.7103.400112.2I243 V411 L415 I423 W433 E435 L440 G441 V442 A443I243-M437 HydrophobicContact CG2-CE 3.72Å; V411-M437 HydrophobicContact CG1-CE 3.95Å; V411-M437 HydrophobicContact CG1-CG 4.02Å; V411-M437 HydrophobicContact CG1-SD 3.73Å; L415-M437 HydrophobicContact CD1-CE 4.1Å; L415-M437 HydrophobicContact CD1-SD 3.86Å; L415-M437 HydrophobicContact CD2-SD 3.69Å; L415-M437 HydrophobicContact CG-SD 3.97Å; I423-M437 HydrophobicContact CD1-CB 3.82Å; I423-M437 HydrophobicContact CD1-CG 3.62Å; W433-M437 HydrophobicContact CE3-CE 3.96Å; W433-M437 HydrophobicContact CZ3-CE 4.25Å; W433-M437 WeakPolarHBondContact O-CB 3.5Å; W433-M437 WeakPolarHBondContact O-CG 3.46Å; W433-M437 PolarHBondContact O-N 2.92Å; E435-M437 PolarHBondContact O-N 2.94Å; M437-L440 HydrophobicContact CE-CD2 4.3Å; M437-L440 PolarHBondContact O-N 3.23Å; M437-L440 HydrophobicContact SD-CD2 4.4Å; M437-G441 PolarHBondContact O-N 2.99Å; M437-V442 HydrophobicContact CB-CG2 3.89Å; M437-V442 HydrophobicContact CG-CG2 4.25Å; M437-V442 WeakPolarHBondContact O-CG2 3.27Å; M437-V442 PolarHBondContact O-N 3.18Å; M437-V442 VanDerWaalsContact O-N 3.1Å; M437-V442 HydrophobicContact SD-CG2 3.61Å; M437-A443 HydrophobicContact CB-CB 3.73Å; M437-A443 PolarHBondContact O-N 3.3Å
438S98.2Very high96.6Very high21 Ų2149.7 Ų49.715%0.14724%0.236CC..Hα-helixtrans-62.1-47.7172.6178.30000111.1A434 E435 L440 G441 A443 P444 Q445A434-S438 PolarHBondContact O-N 2.73Å; E435-S438 WeakPolarHBondContact O-CB 3.13Å; E435-S438 PolarHBondContact O-N 2.77Å; S438-L440 PolarHBondContact O-N 2.88Å; S438-G441 PolarHBondContact O-N 3.22Å; S438-G441 VanDerWaalsContact O-N 3.1Å; S438-A443 WeakPolarHBondContact CA-O 3.45Å; S438-P444 WeakPolarHBondContact CB-O 3.41Å; S438-Q445 PolarHBondContact OG-NE2 2.82Å; S438-Q445 VanDerWaalsContact OG-NE2 3.12Å
439W97.4Very high96.9Very high185 Ų18549.7 Ų49.770%0.70123%0.231SC*.Hα-helixtrans-63.9-38.5177.4-173.183.5000112.9E435 K436 G441E435-W439 WeakPolarHBondContact O-CB 3.45Å; E435-W439 PolarHBondContact O-N 2.95Å; K436-W439 HydrophobicContact CD-CE3 4.2Å; K436-W439 PolarHBondContact O-N 3Å; W439-G441 PolarHBondContact O-N 3.31Å
440L97.2Very high97Very high13 Ų1353.1 Ų53.17%0.06825%0.249CC..Hα-helixtrans-67.4-16.2176.1-168.965.5000112.9I243 L415 K436 M437 S438 V442 R485 I489I243-L440 HydrophobicContact CD1-CD2 3.75Å; I243-L440 HydrophobicContact CG2-CD2 4.41Å; L415-L440 HydrophobicContact CD2-CD2 4.34Å; K436-L440 VanDerWaalsContact O-CB 3.24Å; K436-L440 WeakPolarHBondContact O-CB 3.5Å; K436-L440 PolarHBondContact O-N 2.89Å; M437-L440 HydrophobicContact CE-CD2 4.3Å; M437-L440 PolarHBondContact O-N 3.23Å; M437-L440 HydrophobicContact SD-CD2 4.4Å; S438-L440 PolarHBondContact O-N 2.88Å; L440-V442 HydrophobicContact CB-CG2 4.37Å; L440-V442 HydrophobicContact CD2-CG1 4.25Å; L440-V442 HydrophobicContact CD2-CG2 4.15Å; L440-V442 HydrophobicContact CG-CG1 4.28Å; L440-R485 VanDerWaalsContact O-CG 3.26Å; L440-R485 WeakPolarHBondContact O-CG 3.46Å; L440-R485 PolarHBondContact O-NE 3.25Å; L440-R485 VanDerWaalsContact O-NE 3.08Å; L440-I489 HydrophobicContact CD1-CD1 3.93Å; L440-I489 HydrophobicContact CD2-CD1 4.04Å; L440-I489 HydrophobicContact CD2-CG1 4.03Å; L440-I489 HydrophobicContact CD2-CG2 4.44Å; L440-I489 HydrophobicContact CG-CD1 4.14Å; L440-I489 HydrophobicContact CG-CG1 4.26Å
441G98.3Very high97Very high25 Ų2554.2 Ų54.226%0.25825%0.254SS..THydrogen-bonded Turntrans82.219.5178.900000114.4M437 S438 W439M437-G441 PolarHBondContact O-N 2.99Å; S438-G441 PolarHBondContact O-N 3.22Å; S438-G441 VanDerWaalsContact O-N 3.1Å; W439-G441 PolarHBondContact O-N 3.31Å
442V98.5Very high97Very high0 Ų049.2 Ų49.20%023%0.233CC..SBendtrans-105.9-2.7178.4-57.80000113.1L415 P420 Q421 M437 L440 R485 A486 I489L415-V442 HydrophobicContact CD2-CB 4.48Å; L415-V442 HydrophobicContact CD2-CG1 4.45Å; L415-V442 HydrophobicContact CD2-CG2 3.88Å; P420-V442 WeakPolarHBondContact CA-O 2.91Å; Q421-V442 PolarHBondContact N-O 3.27Å; M437-V442 HydrophobicContact CB-CG2 3.89Å; M437-V442 HydrophobicContact CG-CG2 4.25Å; M437-V442 WeakPolarHBondContact O-CG2 3.27Å; M437-V442 PolarHBondContact O-N 3.18Å; M437-V442 VanDerWaalsContact O-N 3.1Å; M437-V442 HydrophobicContact SD-CG2 3.61Å; L440-V442 HydrophobicContact CB-CG2 4.37Å; L440-V442 HydrophobicContact CD2-CG1 4.25Å; L440-V442 HydrophobicContact CD2-CG2 4.15Å; L440-V442 HydrophobicContact CG-CG1 4.28Å; V442-R485 HydrophobicContact CG1-CB 4.43Å; V442-R485 HydrophobicContact CG1-CG 3.86Å; V442-A486 HydrophobicContact CB-CB 4.41Å; V442-A486 HydrophobicContact CG1-CB 4.27Å; V442-I489 HydrophobicContact CG1-CG1 4.08Å
443A98.7Very high96.9Very high8 Ų845.7 Ų45.77%0.06622%0.219CC..SBendtrans-142.4156.7176.500000110.5Q421 M437 S438Q421-A443 HydrophobicContact CB-CB 4.14Å; Q421-A443 VanDerWaalsContact O-CA 3.28Å; Q421-A443 WeakPolarHBondContact O-CA 3.43Å; Q421-A443 VanDerWaalsContact O-CB 3.27Å; Q421-A443 WeakPolarHBondContact O-CB 3.4Å; M437-A443 HydrophobicContact CB-CB 3.73Å; M437-A443 PolarHBondContact O-N 3.3Å; S438-A443 WeakPolarHBondContact CA-O 3.45Å
444P98.5Very high96.7Very high17 Ų1746.6 Ų46.611%0.1122%0.224CC..  trans-74.6-177.5165.235.5-33.1000110.2Q421 I422 S438 A473 D476 A477Q421-P444 WeakPolarHBondContact O-CD 3.15Å; I422-P444 HydrophobicContact CG1-CG 4.25Å; S438-P444 WeakPolarHBondContact CB-O 3.41Å; P444-A473 HydrophobicContact CG-CB 4.06Å; P444-D476 HydrophobicContact CB-CB 3.99Å; P444-A477 HydrophobicContact CG-CB 4.35Å
445Q98.2Very high96.2Very high145 Ų14552.7 Ų52.768%0.67825%0.252SS*.SBendtrans-56.8143.7173.8-70.5-64.4-32.500111.8S438 L447S438-Q445 PolarHBondContact OG-NE2 2.82Å; S438-Q445 VanDerWaalsContact OG-NE2 3.12Å; Q445-L447 PolarHBondContact O-N 2.75Å
446P98.4Very high95.7Very high38 Ų3850 Ų5025%0.24724%0.242CC..PPolyproline II helixtrans-53.8136.9-179.7-27.635.6000112.9P425 A434 E435P425-P446 HydrophobicContact CG-CB 4.4Å; A434-P446 HydrophobicContact CB-CB 3.77Å; A434-P446 HydrophobicContact CB-CG 3.62Å; E435-P446 HydrophobicContact CG-CG 4.23Å
447L98.5Very high95.1Very high8 Ų850 Ų504%0.04224%0.244CC..PPolyproline II helixtrans-71.6149.3168.4-63.8-179.2000109.9I422 I423 C424 P425 Q445 H451 L452 V469 V470 A473I422-L447 HydrophobicContact CG2-CD1 3.62Å; I422-L447 HydrophobicContact CG2-CG 4.06Å; I423-L447 PolarHBondContact O-N 3.42Å; C424-L447 HydrophobicContact CB-CB 3.87Å; C424-L447 HydrophobicContact CB-CD1 4.34Å; P425-L447 WeakPolarHBondContact CD-O 3.45Å; Q445-L447 PolarHBondContact O-N 2.75Å; L447-H451 HydrophobicContact CB-CB 4.43Å; L447-H451 HydrophobicContact CD2-CB 4.43Å; L447-L452 HydrophobicContact CD1-CD1 4.1Å; L447-L452 HydrophobicContact CD1-CG 4.18Å; L447-V469 HydrophobicContact CD2-CG1 4.03Å; L447-V470 HydrophobicContact CD1-CG2 4.22Å; L447-A473 HydrophobicContact CD2-CB 4Å
448K96.9Very high94.7Very high137 Ų13756 Ų5660%0.59628%0.276SS*.PPolyproline II helixtrans-86.2152.7166.7-62.4178.7-178.6176.90108.9N450 H451K448-N450 WeakPolarHBondContact CB-OD1 3.27Å; K448-N450 PolarHBondContact O-N 3.26Å; K448-N450 VanDerWaalsContact O-N 3.15Å; K448-H451 PolarHBondContact N-ND1 2.96Å; K448-H451 VanDerWaalsContact O-CB 3.28Å; K448-H451 WeakPolarHBondContact O-CB 3.35Å; K448-H451 PolarHBondContact O-N 3.19Å
449R94.4Very high94.3Very high74 Ų7457.5 Ų57.528%0.27928%0.283SS..G310 helixtrans-47-46.4177.2169.5171.1-178.1-165.70.7113F321 F426 H451 L452 L453F321-R449 PolarHBondContact O-NH2 3.02Å; F426-R449 HydrophobicContact CD1-CB 4.33Å; F426-R449 HydrophobicContact CD1-CG 4.14Å; F426-R449 HydrophobicContact CE1-CB 4.16Å; F426-R449 HydrophobicContact CE1-CG 3.87Å; R449-H451 PolarHBondContact O-N 3.46Å; R449-L452 PolarHBondContact O-N 3.1Å; R449-L452 VanDerWaalsContact O-N 3.14Å; R449-L453 HydrophobicContact CG-CB 4.27Å; R449-L453 PolarHBondContact O-N 3.26Å
450N93.2Very high94Very high91 Ų9153 Ų5349%0.48727%0.27SS..G310 helixtrans-71.7-4.3-178.568.1-33.8000114.2K448 L452 L454K448-N450 WeakPolarHBondContact CB-OD1 3.27Å; K448-N450 PolarHBondContact O-N 3.26Å; K448-N450 VanDerWaalsContact O-N 3.15Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L454 WeakPolarHBondContact O-CD2 3.48Å
451H95.8Very high93.9Very high35 Ų3559 Ų5916%0.16230%0.295CS..G310 helixtrans-81.3-14.1170-56.1164.2000112.6L447 K448 R449 V469 V470L447-H451 HydrophobicContact CB-CB 4.43Å; L447-H451 HydrophobicContact CD2-CB 4.43Å; K448-H451 PolarHBondContact N-ND1 2.96Å; K448-H451 VanDerWaalsContact O-CB 3.28Å; K448-H451 WeakPolarHBondContact O-CB 3.35Å; K448-H451 PolarHBondContact O-N 3.19Å; R449-H451 PolarHBondContact O-N 3.46Å; H451-V469 HydrophobicContact CB-CG1 4.37Å; H451-V469 WeakPolarHBondContact ND1-CG1 3.33Å; H451-V470 HydrophobicContact CB-CG2 4.48Å; H451-V470 VanDerWaalsContact O-CG2 3.22Å; H451-V470 WeakPolarHBondContact O-CG2 3.39Å
452L94Very high93.8Very high0 Ų061 Ų610%030%0.3CS..THydrogen-bonded Turntrans-124.7-44.5176.4-71.7177.8000112.5F328 I403 C424 L447 R449 N450 V470F328-L452 WeakPolarHBondContact CD2-O 3.32Å; I403-L452 HydrophobicContact CG2-CD1 3.95Å; C424-L452 HydrophobicContact CB-CD1 3.55Å; L447-L452 HydrophobicContact CD1-CD1 4.1Å; L447-L452 HydrophobicContact CD1-CG 4.18Å; R449-L452 PolarHBondContact O-N 3.1Å; R449-L452 VanDerWaalsContact O-N 3.14Å; N450-L452 VanDerWaalsContact C-N 3.33Å; L452-V470 HydrophobicContact CD2-CG1 4.35Å; L452-V470 HydrophobicContact CD2-CG2 3.64Å; L452-V470 HydrophobicContact CG-CG2 4.34Å
453L93.4Very high93.7Very high8 Ų861.1 Ų61.14%0.04230%0.3CS..  trans-108.193.8-174.8-54.4-170.5000109.7L313 V316 F321 V322 F328 F426 R449L313-L453 HydrophobicContact CD1-CD2 3.91Å; V316-L453 HydrophobicContact CG1-CD1 4.17Å; F321-L453 HydrophobicContact CB-CD1 4.07Å; F321-L453 WeakPolarHBondContact O-CD1 3.37Å; V322-L453 HydrophobicContact CB-CD1 4.46Å; V322-L453 HydrophobicContact CG1-CD2 4.41Å; V322-L453 HydrophobicContact CG2-CD1 3.73Å; V322-L453 HydrophobicContact CG2-CD2 3.97Å; F328-L453 HydrophobicContact CB-CD2 4.05Å; F328-L453 HydrophobicContact CD1-CD2 4.23Å; F328-L453 HydrophobicContact CD2-CD2 3.9Å; F328-L453 HydrophobicContact CE2-CD2 4.42Å; F328-L453 HydrophobicContact CG-CD2 3.8Å; F426-L453 HydrophobicContact CD1-CD1 4.32Å; F426-L453 HydrophobicContact CE1-CD1 3.36Å; F426-L453 HydrophobicContact CE1-CG 3.99Å; F426-L453 HydrophobicContact CZ-CD1 3.71Å; F426-L453 HydrophobicContact CZ-CG 4.15Å; R449-L453 HydrophobicContact CG-CB 4.27Å; R449-L453 PolarHBondContact O-N 3.26Å
454L92.3Very high93.6Very high18 Ų1863.6 Ų63.69%0.09432%0.315CS..  trans-83.6159.7171.8-62.1177.2000110.8A327 V331 N450 N462 I463 A466A327-L454 HydrophobicContact CB-CB 4.07Å; V331-L454 HydrophobicContact CG2-CD1 3.69Å; V331-L454 HydrophobicContact CG2-CG 4.2Å; N450-L454 WeakPolarHBondContact O-CD2 3.48Å; L454-N462 HydrophobicContact CD1-CB 4.17Å; L454-N462 HydrophobicContact CD2-CB 4.3Å; L454-I463 HydrophobicContact CD1-CB 4.29Å; L454-I463 HydrophobicContact CD1-CG1 3.62Å; L454-A466 HydrophobicContact CD1-CB 4.42Å
455E86.8Confident93.5Very high130 Ų13067.1 Ų67.161%0.60733%0.33SS*.SBendtrans-96.2-12.2-179.7-59.4-167.7164.500113.4R323R323-E455 IonicContact CZ-OE1 3.4Å; R323-E455 VanDerWaalsContact NH1-CD 3.32Å; R323-E455 IonicContact NH1-OE1 3.34Å; R323-E455 PolarHBondContact NH1-OE1 3.33Å; R323-E455 IonicContact NH1-OE2 2.77Å
456D86.2Confident93.5Very high78 Ų7860.4 Ų60.442%0.41730%0.299SS..  trans-139.6119.8-179.3-174-4.2000111.1N458D456-N458 VanDerWaalsContact C-N 3.27Å; D456-N458 PolarHBondContact O-N 2.78Å; D456-N458 WeakPolarHBondContact OD1-CB 3.4Å; D456-N458 PolarHBondContact OD1-N 3.05Å; D456-N458 PolarHBondContact OD1-ND2 3Å; D456-N458 VanDerWaalsContact OD1-ND2 3.12Å
457S85Confident93.5Very high19 Ų1958.6 Ų58.613%0.13329%0.287CS..THydrogen-bonded Turntrans-74-9.8177.243.10000114.8D324 R330 I463D324-S457 WeakPolarHBondContact OD2-CB 3.38Å; D324-S457 PolarHBondContact OD2-N 3.3Å; D324-S457 PolarHBondContact OD2-OG 2.92Å; R330-S457 PolarHBondContact NH1-O 3.07Å; S457-I463 WeakPolarHBondContact O-CD1 3.31Å
458N88.3Confident93.5Very high125 Ų12563.6 Ų63.667%0.66831%0.311SS*.THydrogen-bonded Turntrans-92.9-5.4178.6-57.1-68000113.3D456 E460D456-N458 VanDerWaalsContact C-N 3.27Å; D456-N458 PolarHBondContact O-N 2.78Å; D456-N458 WeakPolarHBondContact OD1-CB 3.4Å; D456-N458 PolarHBondContact OD1-N 3.05Å; D456-N458 PolarHBondContact OD1-ND2 3Å; D456-N458 VanDerWaalsContact OD1-ND2 3.12Å; N458-E460 PolarHBondContact O-N 3.34Å; N458-E460 VanDerWaalsContact O-N 3.12Å
459D89.5Confident93.6Very high53 Ų5359.8 Ų59.828%0.28330%0.299SS..  trans-8778.3-179.8-164.8-27.3000111.7K461 N462 I463D459-K461 PolarHBondContact O-N 2.82Å; D459-K461 VanDerWaalsContact O-N 3.15Å; D459-K461 PolarHBondContact OD1-N 2.79Å; D459-N462 HydrophobicContact CB-CB 4.15Å; D459-N462 PolarHBondContact O-N 3.04Å; D459-N462 PolarHBondContact OD1-N 2.99Å; D459-N462 PolarHBondContact OD2-ND2 3.31Å; D459-I463 WeakPolarHBondContact O-CG1 3.49Å; D459-I463 PolarHBondContact O-N 2.96Å
460E93Very high93.8Very high92 Ų9256.2 Ų56.243%0.4329%0.285SS..Hα-helixtrans-54.7-32.5180-65.4-61.916100113.4R330 N458 T464R330-E460 IonicContact CZ-OE1 2.77Å; R330-E460 IonicContact NH1-OE1 3.48Å; R330-E460 PolarHBondContact NH1-OE1 3.14Å; R330-E460 IonicContact NH2-OE1 3.41Å; R330-E460 PolarHBondContact NH2-OE1 2.8Å; R330-E460 IonicContact NH2-OE2 3.63Å; N458-E460 PolarHBondContact O-N 3.34Å; N458-E460 VanDerWaalsContact O-N 3.12Å; E460-T464 WeakPolarHBondContact O-CB 3.39Å; E460-T464 PolarHBondContact O-N 3.48Å; E460-T464 PolarHBondContact O-OG1 3.25Å
461K94.7Very high94Very high138 Ų13852 Ų5260%0.626%0.263SS*.Hα-helixtrans-67.8-52.5179.2-179.2-173.7168.1-171.50110D459 I463 T464 E465D459-K461 PolarHBondContact O-N 2.82Å; D459-K461 VanDerWaalsContact O-N 3.15Å; D459-K461 PolarHBondContact OD1-N 2.79Å; K461-I463 VanDerWaalsContact C-N 3.31Å; K461-I463 PolarHBondContact O-N 2.9Å; K461-T464 PolarHBondContact O-N 2.96Å; K461-E465 WeakPolarHBondContact CE-OE1 3.29Å; K461-E465 IonicContact NZ-OE1 3.68Å; K461-E465 WeakPolarHBondContact O-CG 3.14Å; K461-E465 PolarHBondContact O-N 3.41Å
462N95Very high94.2Very high68 Ų6856.2 Ų56.236%0.36428%0.281SS..Hα-helixtrans-64.1-36.5178.7-80.4-25000112L454 D459 T464 E465 A466L454-N462 HydrophobicContact CD1-CB 4.17Å; L454-N462 HydrophobicContact CD2-CB 4.3Å; D459-N462 HydrophobicContact CB-CB 4.15Å; D459-N462 PolarHBondContact O-N 3.04Å; D459-N462 PolarHBondContact OD1-N 2.99Å; D459-N462 PolarHBondContact OD2-ND2 3.31Å; N462-T464 VanDerWaalsContact C-N 3.34Å; N462-T464 PolarHBondContact O-N 2.89Å; N462-E465 PolarHBondContact O-N 3.38Å; N462-A466 WeakPolarHBondContact O-CB 3.48Å; N462-A466 PolarHBondContact O-N 3.25Å
463I96.6Very high94.4Very high1 Ų156.6 Ų56.61%0.00528%0.284CS..Hα-helixtrans-58.6-47.6173-70165.7000110.5R330 V331 L454 S457 D459 K461 A466 A467R330-I463 HydrophobicContact CB-CD1 3.98Å; R330-I463 HydrophobicContact CB-CG2 4.33Å; V331-I463 HydrophobicContact CG2-CG1 4.41Å; V331-I463 HydrophobicContact CG2-CG2 4.32Å; L454-I463 HydrophobicContact CD1-CB 4.29Å; L454-I463 HydrophobicContact CD1-CG1 3.62Å; S457-I463 WeakPolarHBondContact O-CD1 3.31Å; D459-I463 WeakPolarHBondContact O-CG1 3.49Å; D459-I463 PolarHBondContact O-N 2.96Å; K461-I463 VanDerWaalsContact C-N 3.31Å; K461-I463 PolarHBondContact O-N 2.9Å; I463-A466 PolarHBondContact O-N 3.1Å; I463-A467 VanDerWaalsContact O-CB 3.28Å; I463-A467 WeakPolarHBondContact O-CB 3.42Å; I463-A467 PolarHBondContact O-N 3.25Å
464T96.5Very high94.6Very high61 Ų6156.2 Ų56.237%0.37428%0.282SS..Hα-helixtrans-65.1-45-179.3-58.30000111.9E460 K461 N462 A467 Q468E460-T464 WeakPolarHBondContact O-CB 3.39Å; E460-T464 PolarHBondContact O-N 3.48Å; E460-T464 PolarHBondContact O-OG1 3.25Å; K461-T464 PolarHBondContact O-N 2.96Å; N462-T464 VanDerWaalsContact C-N 3.34Å; N462-T464 PolarHBondContact O-N 2.89Å; T464-A467 PolarHBondContact O-N 3.09Å; T464-Q468 WeakPolarHBondContact O-CG 3.5Å; T464-Q468 PolarHBondContact O-N 2.73Å
465E97.3Very high94.9Very high90 Ų9060.7 Ų60.742%0.42130%0.298SS..Hα-helixtrans-62.8-46.2177.8-72179.7-173.300111.5K461 N462 A467 Q468 V469K461-E465 WeakPolarHBondContact CE-OE1 3.29Å; K461-E465 IonicContact NZ-OE1 3.68Å; K461-E465 WeakPolarHBondContact O-CG 3.14Å; K461-E465 PolarHBondContact O-N 3.41Å; N462-E465 PolarHBondContact O-N 3.38Å; E465-A467 VanDerWaalsContact C-N 3.34Å; E465-A467 PolarHBondContact O-N 2.66Å; E465-Q468 PolarHBondContact O-N 2.65Å; E465-V469 WeakPolarHBondContact O-CG2 3.44Å; E465-V469 PolarHBondContact O-N 3.36Å; E465-V469 VanDerWaalsContact O-N 3.14Å
466A97.7Very high95.5Very high4 Ų457.7 Ų57.73%0.03329%0.286CS..Hα-helixtrans-58.3-46.3175.100000111.5V331 L454 N462 I463 Q468 V469 V470V331-A466 HydrophobicContact CG1-CB 4.24Å; V331-A466 HydrophobicContact CG2-CB 4.15Å; L454-A466 HydrophobicContact CD1-CB 4.42Å; N462-A466 WeakPolarHBondContact O-CB 3.48Å; N462-A466 PolarHBondContact O-N 3.25Å; I463-A466 PolarHBondContact O-N 3.1Å; A466-Q468 PolarHBondContact O-N 3.09Å; A466-V469 PolarHBondContact O-N 3.09Å; A466-V470 WeakPolarHBondContact O-CG2 3.39Å; A466-V470 PolarHBondContact O-N 2.88Å
467A98.2Very high96.1Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-63.3-37.8179.300000113S334 V335 I338 I463 T464 E465 V470 A471S334-A467 VanDerWaalsContact CB-CB 3.41Å; V335-A467 HydrophobicContact CG2-CB 3.81Å; I338-A467 HydrophobicContact CD1-CB 3.86Å; I463-A467 VanDerWaalsContact O-CB 3.28Å; I463-A467 WeakPolarHBondContact O-CB 3.42Å; I463-A467 PolarHBondContact O-N 3.25Å; T464-A467 PolarHBondContact O-N 3.09Å; E465-A467 VanDerWaalsContact C-N 3.34Å; E465-A467 PolarHBondContact O-N 2.66Å; A467-V470 PolarHBondContact O-N 2.95Å; A467-A471 WeakPolarHBondContact O-CB 3.4Å; A467-A471 PolarHBondContact O-N 3.48Å
468Q98.4Very high96.7Very high114 Ų11454.5 Ų54.553%0.53327%0.268SS..Hα-helixtrans-63.3-41.3174.5-73.9173.6-1.500112I338 T464 E465 A466 A471 K472I338-Q468 HydrophobicContact CD1-CG 4.21Å; T464-Q468 WeakPolarHBondContact O-CG 3.5Å; T464-Q468 PolarHBondContact O-N 2.73Å; E465-Q468 PolarHBondContact O-N 2.65Å; A466-Q468 PolarHBondContact O-N 3.09Å; Q468-A471 PolarHBondContact O-N 3.47Å; Q468-K472 WeakPolarHBondContact O-CB 3.4Å; Q468-K472 PolarHBondContact O-N 3.19Å
469V98.5Very high97.1Very high56 Ų5650.7 Ų50.734%0.33925%0.251SS..Hα-helixtrans-64.9-45.3177.2175.80000111.1L447 H451 E465 A466 K472 A473L447-V469 HydrophobicContact CD2-CG1 4.03Å; H451-V469 HydrophobicContact CB-CG1 4.37Å; H451-V469 WeakPolarHBondContact ND1-CG1 3.33Å; E465-V469 WeakPolarHBondContact O-CG2 3.44Å; E465-V469 PolarHBondContact O-N 3.36Å; E465-V469 VanDerWaalsContact O-N 3.14Å; A466-V469 PolarHBondContact O-N 3.09Å; V469-K472 PolarHBondContact O-N 2.99Å; V469-A473 PolarHBondContact O-N 3.43Å
470V98.7Very high97.5Very high0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-65.4-43178176.40000111.1V335 I403 L447 H451 L452 A466 A467 K472 A473 I474V335-V470 HydrophobicContact CG1-CG1 4.07Å; V335-V470 HydrophobicContact CG2-CB 3.73Å; V335-V470 HydrophobicContact CG2-CG1 3.73Å; I403-V470 HydrophobicContact CD1-CG1 4.15Å; L447-V470 HydrophobicContact CD1-CG2 4.22Å; H451-V470 HydrophobicContact CB-CG2 4.48Å; H451-V470 VanDerWaalsContact O-CG2 3.22Å; H451-V470 WeakPolarHBondContact O-CG2 3.39Å; L452-V470 HydrophobicContact CD2-CG1 4.35Å; L452-V470 HydrophobicContact CD2-CG2 3.64Å; L452-V470 HydrophobicContact CG-CG2 4.34Å; A466-V470 WeakPolarHBondContact O-CG2 3.39Å; A466-V470 PolarHBondContact O-N 2.88Å; A467-V470 PolarHBondContact O-N 2.95Å; V470-K472 VanDerWaalsContact C-N 3.34Å; V470-K472 PolarHBondContact O-N 3.16Å; V470-A473 WeakPolarHBondContact O-CB 3.46Å; V470-A473 PolarHBondContact O-N 2.87Å; V470-I474 HydrophobicContact CG1-CD1 4.19Å; V470-I474 WeakPolarHBondContact O-CG1 3.15Å; V470-I474 PolarHBondContact O-N 3.37Å
471A98.6Very high97.8Very high2 Ų256.2 Ų56.22%0.01729%0.286CS..Hα-helixtrans-59.6-43.9175.700000112I338 T339 A467 Q468 A473 I474 Y475I338-A471 HydrophobicContact CB-CB 4.16Å; I338-A471 HydrophobicContact CD1-CB 4.44Å; I338-A471 HydrophobicContact CG2-CB 3.52Å; T339-A471 HydrophobicContact CG2-CB 3.55Å; A467-A471 WeakPolarHBondContact O-CB 3.4Å; A467-A471 PolarHBondContact O-N 3.48Å; Q468-A471 PolarHBondContact O-N 3.47Å; A471-A473 PolarHBondContact O-N 3.33Å; A471-I474 WeakPolarHBondContact O-CB 3.48Å; A471-I474 PolarHBondContact O-N 3.34Å; A471-Y475 HydrophobicContact CB-CE2 4.46Å; A471-Y475 WeakPolarHBondContact O-CD2 3.31Å; A471-Y475 PolarHBondContact O-N 2.9Å
472K98.6Very high98Very high124 Ų12450.4 Ų50.454%0.53926%0.263SS..Hα-helixtrans-60.1-45.3174.1-176-179.4178.8-65.60111.6Q468 V469 V470 I474 Y475 D476Q468-K472 WeakPolarHBondContact O-CB 3.4Å; Q468-K472 PolarHBondContact O-N 3.19Å; V469-K472 PolarHBondContact O-N 2.99Å; V470-K472 VanDerWaalsContact C-N 3.34Å; V470-K472 PolarHBondContact O-N 3.16Å; K472-I474 VanDerWaalsContact C-N 3.28Å; K472-I474 PolarHBondContact O-N 3.44Å; K472-Y475 PolarHBondContact O-N 3.23Å; K472-D476 IonicContact NZ-OD2 2.94Å; K472-D476 PolarHBondContact NZ-OD2 3.07Å; K472-D476 VanDerWaalsContact O-CG 3.32Å; K472-D476 PolarHBondContact O-N 2.97Å
473A98.7Very high98.1Very high7 Ų754.2 Ų54.26%0.05827%0.272CS..Hα-helixtrans-60.7-37.117700000112.2I422 P444 L447 V469 V470 A471 D476 A477I422-A473 HydrophobicContact CG2-CB 3.99Å; P444-A473 HydrophobicContact CG-CB 4.06Å; L447-A473 HydrophobicContact CD2-CB 4Å; V469-A473 PolarHBondContact O-N 3.43Å; V470-A473 WeakPolarHBondContact O-CB 3.46Å; V470-A473 PolarHBondContact O-N 2.87Å; A471-A473 PolarHBondContact O-N 3.33Å; A473-D476 PolarHBondContact O-N 3.23Å; A473-A477 WeakPolarHBondContact O-CB 3.23Å; A473-A477 PolarHBondContact O-N 2.83Å
474I98.7Very high98.2Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-61.6-48.8173-68.6164.7000110.8I309 V335 T339 Y341 F343 I403 I422 V470 A471 K472 D476 A477 L478I309-I474 HydrophobicContact CD1-CG2 4.3Å; V335-I474 HydrophobicContact CG1-CD1 3.57Å; T339-I474 HydrophobicContact CG2-CD1 4.3Å; Y341-I474 HydrophobicContact CD2-CG2 4.19Å; Y341-I474 HydrophobicContact CE2-CG2 4.13Å; F343-I474 HydrophobicContact CE1-CD1 4.06Å; F343-I474 HydrophobicContact CZ-CD1 3.73Å; I403-I474 HydrophobicContact CD1-CD1 4.29Å; I403-I474 HydrophobicContact CD1-CG1 4.42Å; I422-I474 HydrophobicContact CD1-CB 4.31Å; I422-I474 HydrophobicContact CD1-CG1 3.63Å; V470-I474 HydrophobicContact CG1-CD1 4.19Å; V470-I474 WeakPolarHBondContact O-CG1 3.15Å; V470-I474 PolarHBondContact O-N 3.37Å; A471-I474 WeakPolarHBondContact O-CB 3.48Å; A471-I474 PolarHBondContact O-N 3.34Å; K472-I474 VanDerWaalsContact C-N 3.28Å; K472-I474 PolarHBondContact O-N 3.44Å; I474-D476 PolarHBondContact O-N 3.17Å; I474-A477 PolarHBondContact O-N 3.12Å; I474-L478 HydrophobicContact CG2-CD1 3.73Å; I474-L478 HydrophobicContact CG2-CG 4.34Å; I474-L478 WeakPolarHBondContact O-CB 3.29Å; I474-L478 VanDerWaalsContact O-CG 3.27Å; I474-L478 WeakPolarHBondContact O-CG 3.3Å; I474-L478 PolarHBondContact O-N 3.28Å
475Y98.5Very high98.3Very high113 Ų11357.8 Ų57.844%0.44329%0.292SS..Hα-helixtrans-62.6-41.9178.8-63.1-47.6000112.6I338 T339 A471 K472 L478 S479I338-Y475 PolarHBondContact O-OH 3.36Å; T339-Y475 WeakPolarHBondContact CA-OH 3.06Å; T339-Y475 HydrophobicContact CG2-CE2 4.47Å; A471-Y475 HydrophobicContact CB-CE2 4.46Å; A471-Y475 WeakPolarHBondContact O-CD2 3.31Å; A471-Y475 PolarHBondContact O-N 2.9Å; K472-Y475 PolarHBondContact O-N 3.23Å; Y475-L478 PolarHBondContact O-N 3.18Å; Y475-S479 PolarHBondContact O-N 2.82Å
476D98.4Very high98.4Very high67 Ų6753.6 Ų53.636%0.35827%0.272SS..Hα-helixtrans-64.2-42.1177.1-68.9-20.7000111.1P444 K472 A473 I474 S479 T482P444-D476 HydrophobicContact CB-CB 3.99Å; K472-D476 IonicContact NZ-OD2 2.94Å; K472-D476 PolarHBondContact NZ-OD2 3.07Å; K472-D476 VanDerWaalsContact O-CG 3.32Å; K472-D476 PolarHBondContact O-N 2.97Å; A473-D476 PolarHBondContact O-N 3.23Å; I474-D476 PolarHBondContact O-N 3.17Å; D476-S479 WeakPolarHBondContact O-CB 3.29Å; D476-S479 PolarHBondContact O-N 3.08Å; D476-S479 PolarHBondContact O-OG 3.2Å; D476-T482 PolarHBondContact O-OG1 3.4Å
477A98.6Very high98.4Very high0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-64.8-38.3176.900000112.3P420 I422 P444 A473 I474 S479 T482P420-A477 HydrophobicContact CB-CB 3.98Å; P420-A477 WeakPolarHBondContact CB-O 3.36Å; P420-A477 WeakPolarHBondContact CG-O 3.46Å; I422-A477 HydrophobicContact CD1-CB 4.05Å; I422-A477 HydrophobicContact CG1-CB 3.7Å; P444-A477 HydrophobicContact CG-CB 4.35Å; A473-A477 WeakPolarHBondContact O-CB 3.23Å; A473-A477 PolarHBondContact O-N 2.83Å; I474-A477 PolarHBondContact O-N 3.12Å; A477-S479 PolarHBondContact O-N 2.89Å; A477-T482 VanDerWaalsContact O-CB 3.24Å; A477-T482 WeakPolarHBondContact O-CB 3.15Å; A477-T482 WeakPolarHBondContact O-CG2 3.21Å
478L98Very high98.3Very high30 Ų3062.3 Ų62.316%0.15731%0.314CS..THydrogen-bonded Turntrans-834.2-178.9-65.1178.7000113.9I309 Y341 A400 A401 I474 Y475 R483I309-L478 HydrophobicContact CD1-CD1 4.26Å; Y341-L478 HydrophobicContact CE1-CD1 4.22Å; Y341-L478 HydrophobicContact CE2-CD1 3.8Å; Y341-L478 VanDerWaalsContact OH-CD1 3.32Å; Y341-L478 WeakPolarHBondContact OH-CD1 3.49Å; A400-L478 HydrophobicContact CB-CD2 3.84Å; A400-L478 WeakPolarHBondContact O-CD2 3.42Å; A401-L478 HydrophobicContact CB-CD2 4Å; I474-L478 HydrophobicContact CG2-CD1 3.73Å; I474-L478 HydrophobicContact CG2-CG 4.34Å; I474-L478 WeakPolarHBondContact O-CB 3.29Å; I474-L478 VanDerWaalsContact O-CG 3.27Å; I474-L478 WeakPolarHBondContact O-CG 3.3Å; I474-L478 PolarHBondContact O-N 3.28Å; Y475-L478 PolarHBondContact O-N 3.18Å; L478-R483 WeakPolarHBondContact O-CD 3.28Å
479S98.1Very high98.3Very high45 Ų4557 Ų5732%0.31529%0.289SS..SBendtrans-58.1147.4174.484.90000111.4Y475 D476 A477 K481 T482 R483Y475-S479 PolarHBondContact O-N 2.82Å; D476-S479 WeakPolarHBondContact O-CB 3.29Å; D476-S479 PolarHBondContact O-N 3.08Å; D476-S479 PolarHBondContact O-OG 3.2Å; A477-S479 PolarHBondContact O-N 2.89Å; S479-K481 PolarHBondContact O-N 3.29Å; S479-T482 PolarHBondContact O-N 2.88Å; S479-T482 PolarHBondContact OG-N 3.17Å; S479-T482 PolarHBondContact OG-OG1 3.41Å; S479-R483 WeakPolarHBondContact O-CG 3.36Å; S479-R483 PolarHBondContact O-N 3.28Å
480A97.9Very high98.2Very high84 Ų8455 Ų5569%0.69428%0.278SS*.Hα-helixtrans-56.4-35.818000000112.3A484A480-A484 WeakPolarHBondContact O-CB 3.49Å; A480-A484 PolarHBondContact O-N 3.31Å
481K98.3Very high98.1Very high176 Ų17661.1 Ų61.177%0.76531%0.307SS*.Hα-helixtrans-63.8-51.5177.3-177.7-177.2176.2-175.10111.6S479 R483 A484 R485S479-K481 PolarHBondContact O-N 3.29Å; K481-R483 VanDerWaalsContact C-N 3.33Å; K481-R483 PolarHBondContact O-N 3.13Å; K481-A484 PolarHBondContact O-N 3.38Å; K481-R485 PolarHBondContact O-N 3.03Å
482T98.6Very high98Very high17 Ų1763.8 Ų63.810%0.10432%0.32CS..Hα-helixtrans-63.5-41.5-178.6-50.30000111P420 D476 A477 S479 R485 A486P420-T482 HydrophobicContact CB-CG2 4Å; P420-T482 HydrophobicContact CG-CG2 4.28Å; D476-T482 PolarHBondContact O-OG1 3.4Å; A477-T482 VanDerWaalsContact O-CB 3.24Å; A477-T482 WeakPolarHBondContact O-CB 3.15Å; A477-T482 WeakPolarHBondContact O-CG2 3.21Å; S479-T482 PolarHBondContact O-N 2.88Å; S479-T482 PolarHBondContact OG-N 3.17Å; S479-T482 PolarHBondContact OG-OG1 3.41Å; T482-R485 PolarHBondContact O-N 2.94Å; T482-A486 WeakPolarHBondContact O-CB 3.49Å; T482-A486 PolarHBondContact O-N 2.84Å
483R98Very high97.8Very high147 Ų14758 Ų5856%0.55530%0.295SS*.Hα-helixtrans-63-46.1176.6-71.8-178.163.9-174.5-0.8112.7P420 L478 S479 K481 R485 A486 M487P420-R483 HydrophobicContact CG-CB 4.45Å; P420-R483 HydrophobicContact CG-CG 3.63Å; L478-R483 WeakPolarHBondContact O-CD 3.28Å; S479-R483 WeakPolarHBondContact O-CG 3.36Å; S479-R483 PolarHBondContact O-N 3.28Å; K481-R483 VanDerWaalsContact C-N 3.33Å; K481-R483 PolarHBondContact O-N 3.13Å; R483-R485 VanDerWaalsContact C-N 3.3Å; R483-R485 PolarHBondContact O-N 3.03Å; R483-A486 PolarHBondContact O-N 3.47Å; R483-M487 WeakPolarHBondContact O-CG 3.48Å; R483-M487 PolarHBondContact O-N 3.19Å; R483-M487 VanDerWaalsContact O-N 3.12Å
484A98.4Very high97.6Very high62 Ų6261.8 Ų61.851%0.51232%0.321SS..Hα-helixtrans-61-42.5177.400000111.3A480 K481 M487 E488A480-A484 WeakPolarHBondContact O-CB 3.49Å; A480-A484 PolarHBondContact O-N 3.31Å; K481-A484 PolarHBondContact O-N 3.38Å; A484-M487 PolarHBondContact O-N 3.39Å; A484-E488 PolarHBondContact O-N 2.95Å
485R98.5Very high97.4Very high75 Ų7569 Ų6928%0.28336%0.359SS..Hα-helixtrans-66-40178-174.155.5175.8173.27.6112.6L440 V442 K481 T482 R483 M487 E488 I489L440-R485 VanDerWaalsContact O-CG 3.26Å; L440-R485 WeakPolarHBondContact O-CG 3.46Å; L440-R485 PolarHBondContact O-NE 3.25Å; L440-R485 VanDerWaalsContact O-NE 3.08Å; V442-R485 HydrophobicContact CG1-CB 4.43Å; V442-R485 HydrophobicContact CG1-CG 3.86Å; K481-R485 PolarHBondContact O-N 3.03Å; T482-R485 PolarHBondContact O-N 2.94Å; R483-R485 VanDerWaalsContact C-N 3.3Å; R483-R485 PolarHBondContact O-N 3.03Å; R485-M487 VanDerWaalsContact C-N 3.33Å; R485-M487 PolarHBondContact O-N 3.5Å; R485-E488 WeakPolarHBondContact CD-OE2 3.45Å; R485-E488 IonicContact CZ-OE2 3.6Å; R485-E488 IonicContact NE-OE2 3.9Å; R485-E488 IonicContact NH1-OE1 2.7Å; R485-E488 PolarHBondContact NH1-OE1 3.38Å; R485-E488 IonicContact NH1-OE2 2.88Å; R485-E488 PolarHBondContact NH1-OE2 2.92Å; R485-E488 PolarHBondContact O-N 3.43Å; R485-I489 WeakPolarHBondContact O-CG1 3.19Å; R485-I489 PolarHBondContact O-N 3.31Å; R485-I489 VanDerWaalsContact O-N 3.07Å
486A98.2Very high97.2Very high2 Ų266.3 Ų66.32%0.01735%0.35CS..Hα-helixtrans-61.1-42.6176.100000111.6G418 V442 T482 R483 I489 A490G418-A486 WeakPolarHBondContact CA-O 3.49Å; G418-A486 WeakPolarHBondContact O-CB 3.47Å; V442-A486 HydrophobicContact CB-CB 4.41Å; V442-A486 HydrophobicContact CG1-CB 4.27Å; T482-A486 WeakPolarHBondContact O-CB 3.49Å; T482-A486 PolarHBondContact O-N 2.84Å; R483-A486 PolarHBondContact O-N 3.47Å; A486-I489 PolarHBondContact O-N 2.94Å; A486-A490 PolarHBondContact O-N 3.04Å
487M97.7Very high97Very high98 Ų9867.3 Ų67.348%0.48336%0.356SS..Hα-helixtrans-64.4-44175.8-70.8-60.2-54.600112.8R483 A484 R485 I489 A490 E491R483-M487 WeakPolarHBondContact O-CG 3.48Å; R483-M487 PolarHBondContact O-N 3.19Å; R483-M487 VanDerWaalsContact O-N 3.12Å; A484-M487 PolarHBondContact O-N 3.39Å; R485-M487 VanDerWaalsContact C-N 3.33Å; R485-M487 PolarHBondContact O-N 3.5Å; M487-I489 VanDerWaalsContact C-N 3.32Å; M487-I489 PolarHBondContact O-N 2.8Å; M487-A490 WeakPolarHBondContact O-CB 3.32Å; M487-A490 PolarHBondContact O-N 3.26Å; M487-A490 VanDerWaalsContact O-N 3.15Å; M487-E491 PolarHBondContact O-N 3.29Å
488E97.8Very high97Very high90 Ų9067.4 Ų67.442%0.42136%0.357SS..Hα-helixtrans-58-44.6176.5-175.1-167.8168.700111.6A484 R485 A490 E491 I492A484-E488 PolarHBondContact O-N 2.95Å; R485-E488 WeakPolarHBondContact CD-OE2 3.45Å; R485-E488 IonicContact CZ-OE2 3.6Å; R485-E488 IonicContact NE-OE2 3.9Å; R485-E488 IonicContact NH1-OE1 2.7Å; R485-E488 PolarHBondContact NH1-OE1 3.38Å; R485-E488 IonicContact NH1-OE2 2.88Å; R485-E488 PolarHBondContact NH1-OE2 2.92Å; R485-E488 PolarHBondContact O-N 3.43Å; E488-A490 VanDerWaalsContact C-N 3.34Å; E488-A490 PolarHBondContact O-N 3.39Å; E488-E491 PolarHBondContact O-N 3.46Å; E488-I492 WeakPolarHBondContact O-CG1 3.38Å; E488-I492 PolarHBondContact O-N 2.96Å
489I97.5Very high96.9Very high3 Ų366.4 Ų66.42%0.01535%0.352CS..Hα-helixtrans-65.2-38.9176.8-65.1-63.9000111.5I243 L415 L440 V442 R485 A486 M487 E491 I492 L493I243-I489 HydrophobicContact CD1-CD1 4.18Å; I243-I489 HydrophobicContact CD1-CG2 3.55Å; L415-I489 HydrophobicContact CB-CG2 4.48Å; L415-I489 HydrophobicContact CD2-CG2 3.82Å; L440-I489 HydrophobicContact CD1-CD1 3.93Å; L440-I489 HydrophobicContact CD2-CD1 4.04Å; L440-I489 HydrophobicContact CD2-CG1 4.03Å; L440-I489 HydrophobicContact CD2-CG2 4.44Å; L440-I489 HydrophobicContact CG-CD1 4.14Å; L440-I489 HydrophobicContact CG-CG1 4.26Å; V442-I489 HydrophobicContact CG1-CG1 4.08Å; R485-I489 WeakPolarHBondContact O-CG1 3.19Å; R485-I489 PolarHBondContact O-N 3.31Å; R485-I489 VanDerWaalsContact O-N 3.07Å; A486-I489 PolarHBondContact O-N 2.94Å; M487-I489 VanDerWaalsContact C-N 3.32Å; M487-I489 PolarHBondContact O-N 2.8Å; I489-E491 VanDerWaalsContact C-N 3.3Å; I489-E491 PolarHBondContact O-N 3.29Å; I489-I492 HydrophobicContact CD1-CD1 4.32Å; I489-I492 PolarHBondContact O-N 3.05Å; I489-L493 HydrophobicContact CG2-CD1 3.93Å; I489-L493 HydrophobicContact CG2-CG 4.19Å; I489-L493 WeakPolarHBondContact O-CG 3.5Å; I489-L493 PolarHBondContact O-N 2.83Å
490A96.9Very high96.9Very high12 Ų1267.8 Ų67.810%0.09936%0.358CS..Hα-helixtrans-61.3-39.2176.500000112.3L415 A486 M487 E488 L493 S494L415-A490 WeakPolarHBondContact O-CA 3.45Å; L415-A490 VanDerWaalsContact O-CB 3.26Å; L415-A490 WeakPolarHBondContact O-CB 3.43Å; A486-A490 PolarHBondContact O-N 3.04Å; M487-A490 WeakPolarHBondContact O-CB 3.32Å; M487-A490 PolarHBondContact O-N 3.26Å; M487-A490 VanDerWaalsContact O-N 3.15Å; E488-A490 VanDerWaalsContact C-N 3.34Å; E488-A490 PolarHBondContact O-N 3.39Å; A490-L493 PolarHBondContact O-N 3.47Å; A490-S494 WeakPolarHBondContact O-CB 3.48Å; A490-S494 PolarHBondContact O-N 3.4Å
491E96.9Very high96.9Very high129 Ų12966.7 Ų66.760%0.60334%0.339SS*.Hα-helixtrans-61.9-43.8175.7-71.5175.8-172.800111.5M487 E488 I489 S494M487-E491 PolarHBondContact O-N 3.29Å; E488-E491 PolarHBondContact O-N 3.46Å; I489-E491 VanDerWaalsContact C-N 3.3Å; I489-E491 PolarHBondContact O-N 3.29Å; E491-S494 WeakPolarHBondContact O-CB 3.2Å; E491-S494 PolarHBondContact O-N 2.96Å; E491-S494 PolarHBondContact O-OG 3.21Å
492I95.7Very high96.9Very high58 Ų5858.3 Ų58.330%0.29730%0.302SS..Hα-helixtrans-60.5-50175.7-65.8166.9000110.5E242 E488 I489 S494 L495E242-I492 HydrophobicContact CB-CG2 3.94Å; E242-I492 HydrophobicContact CG-CG2 3.71Å; E488-I492 WeakPolarHBondContact O-CG1 3.38Å; E488-I492 PolarHBondContact O-N 2.96Å; I489-I492 HydrophobicContact CD1-CD1 4.32Å; I489-I492 PolarHBondContact O-N 3.05Å; I492-S494 PolarHBondContact O-N 3.41Å; I492-L495 PolarHBondContact O-N 3.37Å
493L95.6Very high96.8Very high2 Ų257.7 Ų57.71%0.0130%0.299CS..Hα-helixtrans-69.3-18.2-178.1-65.3-178.9000113.6S240 I243 F259 L415 I489 A490 L495 E496S240-L493 VanDerWaalsContact CB-CD2 3.42Å; S240-L493 WeakPolarHBondContact OG-CD2 3.11Å; I243-L493 HydrophobicContact CD1-CD2 4.48Å; I243-L493 HydrophobicContact CG1-CD2 4.05Å; F259-L493 HydrophobicContact CD2-CD1 4.28Å; F259-L493 HydrophobicContact CD2-CD2 4.34Å; F259-L493 HydrophobicContact CE2-CD1 4.04Å; F259-L493 HydrophobicContact CE2-CD2 4.29Å; L415-L493 HydrophobicContact CB-CD1 3.58Å; L415-L493 HydrophobicContact CD1-CD1 4.21Å; L415-L493 HydrophobicContact CG-CD1 4.48Å; I489-L493 HydrophobicContact CG2-CD1 3.93Å; I489-L493 HydrophobicContact CG2-CG 4.19Å; I489-L493 WeakPolarHBondContact O-CG 3.5Å; I489-L493 PolarHBondContact O-N 2.83Å; A490-L493 PolarHBondContact O-N 3.47Å; L493-L495 PolarHBondContact O-N 2.95Å; L493-E496 PolarHBondContact O-N 3.28Å; L493-E496 VanDerWaalsContact O-N 3.14Å
494S93.9Very high96.8Very high87 Ų8754.7 Ų54.761%0.60829%0.288SS*.THydrogen-bonded Turntrans-64.5-17.2177.877.30000113.6A490 E491 I492A490-S494 WeakPolarHBondContact O-CB 3.48Å; A490-S494 PolarHBondContact O-N 3.4Å; E491-S494 WeakPolarHBondContact O-CB 3.2Å; E491-S494 PolarHBondContact O-N 2.96Å; E491-S494 PolarHBondContact O-OG 3.21Å; I492-S494 PolarHBondContact O-N 3.41Å
495L93.3Very high96.7Very high153 Ų15351.9 Ų51.980%0.80126%0.264SS*.THydrogen-bonded Turntrans-88.6-8.6178.8-56.7177.7000113I492 L493I492-L495 PolarHBondContact O-N 3.37Å; L493-L495 PolarHBondContact O-N 2.95Å
496E94.6Very high96.6Very high55 Ų5548.3 Ų48.326%0.25725%0.251SS..  trans-96.4135.9-177-62.4-174.6-178.500112S240 G258 L493S240-E496 VanDerWaalsContact CB-OE1 3.29Å; S240-E496 WeakPolarHBondContact CB-OE1 3.34Å; S240-E496 VanDerWaalsContact CB-OE2 3.23Å; S240-E496 WeakPolarHBondContact CB-OE2 3.3Å; S240-E496 PolarHBondContact OG-OE1 3.46Å; S240-E496 PolarHBondContact OG-OE2 3.05Å; G258-E496 VanDerWaalsContact CA-OE2 3.26Å; G258-E496 WeakPolarHBondContact CA-OE2 3.46Å; L493-E496 PolarHBondContact O-N 3.28Å; L493-E496 VanDerWaalsContact O-N 3.14Å
497D95.3Very high96.4Very high88 Ų8852.7 Ų52.747%0.47127%0.267SS..  trans-124.690.5162.6-179-11.7000108.8V499 T500 E501D497-V499 VanDerWaalsContact C-N 3.3Å; D497-V499 PolarHBondContact O-N 3.46Å; D497-V499 PolarHBondContact OD1-N 3.3Å; D497-T500 VanDerWaalsContact CG-CB 3.42Å; D497-T500 PolarHBondContact O-N 3.47Å; D497-T500 PolarHBondContact OD1-N 3.47Å; D497-T500 PolarHBondContact OD1-OG1 2.68Å; D497-T500 VanDerWaalsContact OD2-CB 3.24Å; D497-T500 WeakPolarHBondContact OD2-CB 3.3Å; D497-T500 PolarHBondContact OD2-OG1 2.83Å; D497-E501 WeakPolarHBondContact O-CB 3.45Å; D497-E501 PolarHBondContact O-N 2.77Å
498G97.2Very high96.2Very high2 Ų252.1 Ų52.12%0.02126%0.263CS..Hα-helixtrans-69-27.1-172.800000114.5C257 F259 W260 A502C257-G498 WeakPolarHBondContact O-CA 3.46Å; F259-G498 WeakPolarHBondContact O-CA 3.37Å; F259-G498 PolarHBondContact O-N 3Å; W260-G498 VanDerWaalsContact CD1-O 3.26Å; W260-G498 PolarHBondContact NE1-O 3.13Å; G498-A502 WeakPolarHBondContact O-CB 3.5Å; G498-A502 PolarHBondContact O-N 2.89Å
499V97.3Very high95.8Very high10 Ų1051.8 Ų51.86%0.06126%0.261CS..Hα-helixtrans-72.2-48.1177.4179.90000109.5A28 I29 V32 W260 D497 E501 A502 V503A28-V499 HydrophobicContact CB-CG2 4.48Å; I29-V499 HydrophobicContact CG1-CG1 4.19Å; V32-V499 HydrophobicContact CB-CG1 4.03Å; V32-V499 HydrophobicContact CG2-CG1 3.64Å; W260-V499 HydrophobicContact CB-CG2 4.07Å; D497-V499 VanDerWaalsContact C-N 3.3Å; D497-V499 PolarHBondContact O-N 3.46Å; D497-V499 PolarHBondContact OD1-N 3.3Å; V499-E501 VanDerWaalsContact C-N 3.31Å; V499-E501 PolarHBondContact O-N 2.83Å; V499-A502 PolarHBondContact O-N 3.15Å; V499-V503 WeakPolarHBondContact O-CG2 3.5Å; V499-V503 PolarHBondContact O-N 2.89Å
500T97.3Very high95.3Very high73 Ų7351.9 Ų51.945%0.44826%0.262SS..Hα-helixtrans-62.4-40.1177.3-63.90000111.3D497 V503 R504D497-T500 VanDerWaalsContact CG-CB 3.42Å; D497-T500 PolarHBondContact O-N 3.47Å; D497-T500 PolarHBondContact OD1-N 3.47Å; D497-T500 PolarHBondContact OD1-OG1 2.68Å; D497-T500 VanDerWaalsContact OD2-CB 3.24Å; D497-T500 WeakPolarHBondContact OD2-CB 3.3Å; D497-T500 PolarHBondContact OD2-OG1 2.83Å; T500-V503 PolarHBondContact O-N 3.08Å; T500-R504 WeakPolarHBondContact O-CB 3.37Å; T500-R504 PolarHBondContact O-N 3.12Å
501E97.8Very high94.5Very high61 Ų6152 Ų5229%0.28526%0.262SS..Hα-helixtrans-64.7-43.7176.6-177.859.8-170.700112.1C257 D497 V499 V503 R504 V505C257-E501 HydrophobicContact CB-CB 4.26Å; C257-E501 HydrophobicContact CB-CG 4.05Å; D497-E501 WeakPolarHBondContact O-CB 3.45Å; D497-E501 PolarHBondContact O-N 2.77Å; V499-E501 VanDerWaalsContact C-N 3.31Å; V499-E501 PolarHBondContact O-N 2.83Å; E501-V503 VanDerWaalsContact C-N 3.33Å; E501-V503 PolarHBondContact O-N 3.43Å; E501-R504 WeakPolarHBondContact O-CB 3.27Å; E501-R504 PolarHBondContact O-N 2.84Å; E501-R504 IonicContact OE1-CZ 2.75Å; E501-R504 IonicContact OE1-NE 2.74Å; E501-R504 PolarHBondContact OE1-NE 3.42Å; E501-R504 IonicContact OE1-NH2 3.86Å; E501-R504 PolarHBondContact OE1-NH2 3.36Å; E501-R504 IonicContact OE2-CZ 3.98Å; E501-R504 IonicContact OE2-NE 3.74Å; E501-R504 PolarHBondContact OE2-NE 3.37Å; E501-R504 IonicContact OE2-NH2 2.82Å; E501-V505 WeakPolarHBondContact O-CG2 3.48Å; E501-V505 PolarHBondContact O-N 2.94Å
502A98.1Very high93Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-60.1-42.3175.600000112I29 L236 C257 W260 G498 V499 V505 L506I29-A502 HydrophobicContact CD1-CB 3.84Å; I29-A502 HydrophobicContact CG1-CB 4.2Å; L236-A502 HydrophobicContact CD1-CB 4.4Å; C257-A502 HydrophobicContact CB-CB 4.24Å; W260-A502 HydrophobicContact CZ2-CB 4.35Å; G498-A502 WeakPolarHBondContact O-CB 3.5Å; G498-A502 PolarHBondContact O-N 2.89Å; V499-A502 PolarHBondContact O-N 3.15Å; A502-V505 PolarHBondContact O-N 3.4Å; A502-L506 WeakPolarHBondContact O-CG 3.39Å; A502-L506 PolarHBondContact O-N 3.19Å
503V97.7Very high90.7Very high5 Ų551.6 Ų51.63%0.0327%0.271CS..Hα-helixtrans-66.2-39176.1172.40000111.7I29 V32 F33 V36 V499 T500 E501 L506 R507I29-V503 HydrophobicContact CG2-CG2 3.89Å; V32-V503 HydrophobicContact CB-CG2 3.99Å; V32-V503 HydrophobicContact CG1-CB 4.34Å; V32-V503 HydrophobicContact CG1-CG1 4.4Å; V32-V503 HydrophobicContact CG1-CG2 3.86Å; F33-V503 HydrophobicContact CB-CG1 4.44Å; F33-V503 HydrophobicContact CB-CG2 4.15Å; F33-V503 HydrophobicContact CD2-CG1 4.23Å; V36-V503 HydrophobicContact CB-CG1 4.43Å; V499-V503 WeakPolarHBondContact O-CG2 3.5Å; V499-V503 PolarHBondContact O-N 2.89Å; T500-V503 PolarHBondContact O-N 3.08Å; E501-V503 VanDerWaalsContact C-N 3.33Å; E501-V503 PolarHBondContact O-N 3.43Å; V503-L506 PolarHBondContact O-N 3.45Å; V503-R507 WeakPolarHBondContact O-CB 3.46Å; V503-R507 PolarHBondContact O-N 3.4Å
504R97.3Very high87.8Confident84 Ų8456.3 Ų56.332%0.31730%0.304SS..Hα-helixtrans-58.6-48.7175-171.9-17073753.9110.7T500 E501 R507 E508T500-R504 WeakPolarHBondContact O-CB 3.37Å; T500-R504 PolarHBondContact O-N 3.12Å; E501-R504 WeakPolarHBondContact O-CB 3.27Å; E501-R504 PolarHBondContact O-N 2.84Å; E501-R504 IonicContact OE1-CZ 2.75Å; E501-R504 IonicContact OE1-NE 2.74Å; E501-R504 PolarHBondContact OE1-NE 3.42Å; E501-R504 IonicContact OE1-NH2 3.86Å; E501-R504 PolarHBondContact OE1-NH2 3.36Å; E501-R504 IonicContact OE2-CZ 3.98Å; E501-R504 IonicContact OE2-NE 3.74Å; E501-R504 PolarHBondContact OE2-NE 3.37Å; E501-R504 IonicContact OE2-NH2 2.82Å; R504-R507 PolarHBondContact O-N 2.85Å; R504-E508 VanDerWaalsContact CG-OE1 3.31Å; R504-E508 WeakPolarHBondContact CG-OE1 3.46Å; R504-E508 IonicContact CZ-OE1 2.79Å; R504-E508 IonicContact CZ-OE2 3.04Å; R504-E508 IonicContact NH1-OE1 3.26Å; R504-E508 PolarHBondContact NH1-OE1 2.89Å; R504-E508 IonicContact NH1-OE2 2.82Å; R504-E508 PolarHBondContact NH1-OE2 2.69Å; R504-E508 WeakPolarHBondContact O-CG 3.36Å; R504-E508 PolarHBondContact O-N 2.99Å; R504-E508 VanDerWaalsContact O-N 3.07Å
505V96.8Very high84.7Confident2 Ų255.3 Ų55.31%0.01231%0.307CS..Hα-helixtrans-62.8-46.9178.71730000111.5L234 L236 R255 E501 A502 R507 E508 E509L234-V505 HydrophobicContact CD1-CG1 4.01Å; L234-V505 HydrophobicContact CD2-CG1 4.11Å; L236-V505 HydrophobicContact CD2-CB 4.33Å; L236-V505 HydrophobicContact CD2-CG1 3.58Å; R255-V505 HydrophobicContact CB-CG1 4.28Å; R255-V505 HydrophobicContact CG-CG1 3.84Å; E501-V505 WeakPolarHBondContact O-CG2 3.48Å; E501-V505 PolarHBondContact O-N 2.94Å; A502-V505 PolarHBondContact O-N 3.4Å; V505-R507 VanDerWaalsContact C-N 3.29Å; V505-R507 PolarHBondContact O-N 3.42Å; V505-E508 PolarHBondContact O-N 3Å; V505-E509 PolarHBondContact O-N 2.91Å
506L96.6Very high81.5Confident1 Ų153 Ų531%0.00530%0.304CS..Hα-helixtrans-55.8-45.6176-76.4172.8000111.5F14 I29 F33 F124 V126 V146 L234 L236 A502 V503 E508 V510 C511F14-L506 HydrophobicContact CE1-CD1 4.22Å; F14-L506 HydrophobicContact CZ-CD1 4.13Å; I29-L506 HydrophobicContact CG2-CD1 3.85Å; F33-L506 HydrophobicContact CD2-CB 4.35Å; F33-L506 HydrophobicContact CD2-CD1 4.32Å; F33-L506 HydrophobicContact CE2-CB 4.23Å; F124-L506 HydrophobicContact CE2-CD2 4.43Å; V126-L506 HydrophobicContact CG2-CD2 4.22Å; V146-L506 HydrophobicContact CB-CD2 4.46Å; V146-L506 HydrophobicContact CG1-CD2 3.93Å; V146-L506 HydrophobicContact CG2-CD2 4.26Å; L234-L506 HydrophobicContact CD2-CD2 4.41Å; L236-L506 HydrophobicContact CD1-CD1 4.38Å; L236-L506 HydrophobicContact CD1-CD2 3.9Å; L236-L506 HydrophobicContact CD1-CG 3.84Å; A502-L506 WeakPolarHBondContact O-CG 3.39Å; A502-L506 PolarHBondContact O-N 3.19Å; V503-L506 PolarHBondContact O-N 3.45Å; L506-E508 PolarHBondContact O-N 3.33Å; L506-V510 HydrophobicContact CD2-CG2 4.03Å; L506-V510 WeakPolarHBondContact O-CA 3.34Å; L506-V510 WeakPolarHBondContact O-CB 3.39Å; L506-V510 WeakPolarHBondContact O-CG2 3.1Å; L506-V510 PolarHBondContact O-N 2.97Å; L506-C511 PolarHBondContact O-N 3.07Å
507R94Very high78.2Confident94 Ų9457.4 Ų57.436%0.35533%0.329SS..Hα-helixtrans-62.6-44.1180-176-176.564-153-3.3112V503 R504 V505 C511 V512V503-R507 WeakPolarHBondContact O-CB 3.46Å; V503-R507 PolarHBondContact O-N 3.4Å; R504-R507 PolarHBondContact O-N 2.85Å; V505-R507 VanDerWaalsContact C-N 3.29Å; V505-R507 PolarHBondContact O-N 3.42Å; R507-C511 WeakPolarHBondContact O-CB 3.21Å; R507-C511 PolarHBondContact O-N 2.9Å; R507-V512 WeakPolarHBondContact O-CG2 3.27Å; R507-V512 PolarHBondContact O-N 3.36Å
508E92.3Very high75.1Confident85 Ų8564 Ų6440%0.39735%0.347SS..Hα-helixtrans-76.2-37.4-174.7-73.2174.1-160.800113.5R504 V505 L506 V512R504-E508 VanDerWaalsContact CG-OE1 3.31Å; R504-E508 WeakPolarHBondContact CG-OE1 3.46Å; R504-E508 IonicContact CZ-OE1 2.79Å; R504-E508 IonicContact CZ-OE2 3.04Å; R504-E508 IonicContact NH1-OE1 3.26Å; R504-E508 PolarHBondContact NH1-OE1 2.89Å; R504-E508 IonicContact NH1-OE2 2.82Å; R504-E508 PolarHBondContact NH1-OE2 2.69Å; R504-E508 WeakPolarHBondContact O-CG 3.36Å; R504-E508 PolarHBondContact O-N 2.99Å; R504-E508 VanDerWaalsContact O-N 3.07Å; V505-E508 PolarHBondContact O-N 3Å; L506-E508 PolarHBondContact O-N 3.33Å; E508-V512 WeakPolarHBondContact O-CG2 3.23Å
509E90.3Very high71.7Confident83 Ų8370.6 Ų70.639%0.38838%0.381SS..Hα-helixtrans-102.4-18-172-60.8-164.9-13800113.4L234 R255 V505L234-E509 HydrophobicContact CD2-CB 4.21Å; R255-E509 IonicContact CZ-OE1 3.89Å; R255-E509 VanDerWaalsContact CZ-OE1 3.29Å; R255-E509 IonicContact CZ-OE2 3.06Å; R255-E509 IonicContact NE-OE1 2.66Å; R255-E509 PolarHBondContact NE-OE1 3.4Å; R255-E509 IonicContact NE-OE2 2.66Å; R255-E509 VanDerWaalsContact NH2-CD 3.35Å; R255-E509 IonicContact NH2-OE1 2.71Å; R255-E509 PolarHBondContact NH2-OE1 3.03Å; R255-E509 IonicContact NH2-OE2 3.63Å; R255-E509 PolarHBondContact NH2-OE2 3.46Å; V505-E509 PolarHBondContact O-N 2.91Å
510V86.8Confident68.5Low6 Ų681.9 Ų81.94%0.03643%0.429CS..THydrogen-bonded Turntrans-112.1-53.2-179.8-1680000111F124 R144 V146 L234 L506 V512F124-V510 HydrophobicContact CB-CG1 3.99Å; F124-V510 HydrophobicContact CD1-CG1 3.85Å; F124-V510 HydrophobicContact CD2-CG1 4.16Å; F124-V510 HydrophobicContact CE1-CG1 4.34Å; F124-V510 HydrophobicContact CG-CG1 3.75Å; R144-V510 PolarHBondContact NH1-O 3.37Å; V146-V510 HydrophobicContact CG2-CG1 4.49Å; V146-V510 HydrophobicContact CG2-CG2 3.71Å; L234-V510 HydrophobicContact CD2-CG2 3.74Å; L506-V510 HydrophobicContact CD2-CG2 4.03Å; L506-V510 WeakPolarHBondContact O-CA 3.34Å; L506-V510 WeakPolarHBondContact O-CB 3.39Å; L506-V510 WeakPolarHBondContact O-CG2 3.1Å; L506-V510 PolarHBondContact O-N 2.97Å; V510-V512 PolarHBondContact O-N 2.91Å
511C79.9Confident67Low14 Ų1482.4 Ų82.410%0.09543%0.428CS..SBendtrans-79.8-13.9-170.7-56.70000114.5Y40 L506 R507 V513Y40-C511 HydrophobicContact CE2-CB 4.34Å; L506-C511 PolarHBondContact O-N 3.07Å; R507-C511 WeakPolarHBondContact O-CB 3.21Å; R507-C511 PolarHBondContact O-N 2.9Å; C511-V513 PolarHBondContact O-N 3.4Å
512V65.4Low65.4Low87 Ų8783.5 Ų83.553%0.52744%0.436SS..  trans-67.599.4178.3-178.80000109.6R507 E508 V510R507-V512 WeakPolarHBondContact O-CG2 3.27Å; R507-V512 PolarHBondContact O-N 3.36Å; E508-V512 WeakPolarHBondContact O-CG2 3.23Å; V510-V512 PolarHBondContact O-N 2.91Å
513V46.7Very low63.6Low92 Ų9288.1 Ų88.156%0.55846%0.46SS*.  trans-54.1137.7164.6179.60000108.9C511 G515C511-V513 PolarHBondContact O-N 3.4Å; V513-G515 PolarHBondContact O-N 3.4Å
514S34.9Very low61.6Low101 Ų10193 Ų9371%0.70649%0.485SS*.SBendtrans-47.466.9169.4-45.30000113.5E121E121-S514 PolarHBondContact OE1-OG 3.32Å
515G28.5Very low59.3Low65 Ų6593.6 Ų93.667%0.6750%0.496SS*.  trans-141.83-172.100000114.8V513V513-G515 PolarHBondContact O-N 3.4Å
516S26.9Very low56.9Low106 Ų10699.7 Ų99.774%0.74153%0.528SS*.SBendtrans-126.4100.4167.7-700000108.6R518S516-R518 PolarHBondContact O-N 2.85Å
517N25.7Very low54Low146 Ų146106.7 Ų106.778%0.78157%0.566SS**  trans-34.998.4156.7-92.3-15.7000110.2I519N517-I519 HydrophobicContact CB-CD1 4.06Å; N517-I519 HydrophobicContact CB-CG1 3.98Å; N517-I519 PolarHBondContact O-N 3.01Å
518R29.1Very low50.9Low226 Ų226107.7 Ų107.785%0.85358%0.582SS**  trans-73.178.1149-76.6-173.6-178.8-173.53.1105.6S516 F520S516-R518 PolarHBondContact O-N 2.85Å; R518-F520 VanDerWaalsContact C-N 3.33Å; R518-F520 HydrophobicContact CB-CD2 4.21Å; R518-F520 HydrophobicContact CB-CE2 4.43Å; R518-F520 PolarHBondContact O-N 2.85Å; R518-F520 VanDerWaalsContact O-N 3.16Å
519I26.1Very low47.5Very low142 Ų142109.6 Ų109.673%0.72860%0.597SS**  trans-67.4103.4157-67.8156.9000104.2N517N517-I519 HydrophobicContact CB-CD1 4.06Å; N517-I519 HydrophobicContact CB-CG1 3.98Å; N517-I519 PolarHBondContact O-N 3.01Å
520F29.4Very low43.6Very low247 Ų247112 Ų112100%1.08362%0.616SS**  trans-104.30156.1-85.5-73.9000107.9R518R518-F520 VanDerWaalsContact C-N 3.33Å; R518-F520 HydrophobicContact CB-CD2 4.21Å; R518-F520 HydrophobicContact CB-CE2 4.43Å; R518-F520 PolarHBondContact O-N 2.85Å; R518-F520 VanDerWaalsContact O-N 3.16Å

Retrieved 520 of 520 residues in 118.1 ms (Link to these results)

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