A0A3Q0KST4_SCHMA Loading...

Putative nad dependent epimerase/dehydratase

AlphaFold DB , UniProt , Accession A0A3Q0KST4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M34.1Very low69Low242 Ų24283 Ų83100%1.19246%0.459SS*.  0108.80-65.8178.3-173.700105.1E3M1-E3 PolarHBondContact O-N 3.37Å
2S35.9Very low71.5Confident114 Ų11476.3 Ų76.380%0.79742%0.423SS*.  trans-58.3130.4170.847.30000107.1S4S2-S4 PolarHBondContact O-N 3.15Å
3E37.5Very low73.6Confident191 Ų19170.5 Ų70.589%0.89339%0.391SS*.  trans-47.7111.8163.7-74.1173.4152.400106.1M1 S5M1-E3 PolarHBondContact O-N 3.37Å; E3-S5 PolarHBondContact O-N 3.09Å
4S45Very low75.4Confident68 Ų6865.5 Ų65.548%0.47636%0.363SS..  trans-61.9110.9174.361.30000104.9S2 N6S2-S4 PolarHBondContact O-N 3.15Å; S4-N6 PolarHBondContact O-N 2.95Å
5S53.7Low77Confident63 Ų6361.1 Ų61.144%0.44134%0.339SS..  trans-60.3136.3177.5820000107.1E3 D7E3-S5 PolarHBondContact O-N 3.09Å; S5-D7 WeakPolarHBondContact CB-OD2 3.2Å; S5-D7 PolarHBondContact O-N 3.48Å; S5-D7 WeakPolarHBondContact OG-CB 3.44Å; S5-D7 VanDerWaalsContact OG-CG 3.31Å; S5-D7 PolarHBondContact OG-OD2 3.17Å
6N71Confident78.2Confident89 Ų8957.4 Ų57.448%0.47632%0.318SS..  trans-71.231.3176.1-83.6-2.6000111.3S4 N79S4-N6 PolarHBondContact O-N 2.95Å; N6-N79 PolarHBondContact ND2-OD1 3.31Å; N6-N79 VanDerWaalsContact ND2-OD1 3.16Å
7D90.3Very high79.3Confident76 Ų7655.2 Ų55.241%0.40630%0.304SS..  trans-93.4138.7-175.6-65.2-36.7000110.2S5 L9 Y100S5-D7 WeakPolarHBondContact CB-OD2 3.2Å; S5-D7 PolarHBondContact O-N 3.48Å; S5-D7 WeakPolarHBondContact OG-CB 3.44Å; S5-D7 VanDerWaalsContact OG-CG 3.31Å; S5-D7 PolarHBondContact OG-OD2 3.17Å; D7-L9 PolarHBondContact O-N 2.92Å; D7-Y100 HydrophobicContact CB-CD1 4.05Å; D7-Y100 HydrophobicContact CB-CE1 4.47Å
8L96.6Very high80.4Confident2 Ų252.2 Ų52.21%0.0129%0.288CS..  trans-66130172.6-147.6101.3000109.9V10 I11 L78 V84 Y100 A103L8-V10 VanDerWaalsContact CD2-O 3.22Å; L8-V10 WeakPolarHBondContact CD2-O 3.39Å; L8-I11 HydrophobicContact CD2-CG1 3.61Å; L8-L78 HydrophobicContact CD1-CB 4.15Å; L8-L78 HydrophobicContact CD1-CD1 4.23Å; L8-V84 HydrophobicContact CD1-CB 4.41Å; L8-V84 HydrophobicContact CD1-CG1 4.49Å; L8-V84 HydrophobicContact CD2-CB 4.3Å; L8-V84 HydrophobicContact CD2-CG1 3.58Å; L8-Y100 HydrophobicContact CB-CD1 3.93Å; L8-Y100 HydrophobicContact CB-CD2 3.59Å; L8-Y100 HydrophobicContact CB-CE1 4.09Å; L8-Y100 HydrophobicContact CB-CE2 3.76Å; L8-Y100 HydrophobicContact CB-CG 3.67Å; L8-Y100 HydrophobicContact CD2-CD2 4.48Å; L8-A103 WeakPolarHBondContact O-CB 3.32Å
9L97.8Very high81.2Confident67 Ų6750.3 Ų50.335%0.35128%0.282SS..  trans-91.6-32.9177.2-59.5178.6000112.5D7 Y31 E82 A103 K104D7-L9 PolarHBondContact O-N 2.92Å; L9-Y31 HydrophobicContact CD1-CD1 3.76Å; L9-Y31 HydrophobicContact CD1-CE1 3.63Å; L9-Y31 HydrophobicContact CD1-CG 4.35Å; L9-E82 WeakPolarHBondContact CA-O 3.24Å; L9-E82 WeakPolarHBondContact CB-O 3.49Å; L9-E82 HydrophobicContact CD1-CB 4.42Å; L9-E82 WeakPolarHBondContact CD1-OE2 3.48Å; L9-E82 VanDerWaalsContact CG-OE2 3.24Å; L9-E82 WeakPolarHBondContact CG-OE2 3.34Å; L9-E82 PolarHBondContact N-O 3.47Å; L9-A103 CarbonylContact O-C 3.32Å; L9-A103 VanDerWaalsContact O-CA 3.29Å; L9-A103 WeakPolarHBondContact O-CA 3.41Å; L9-K104 PolarHBondContact O-N 3.04Å
10V98.7Very high82.1Confident0 Ų048.1 Ų48.10%027%0.269CS..EExtended strand (participates in β ladder)trans-135.1125.8-175-179.80000112.6L8 L27 Y31 E82 A83 V84 K104 I106 L209L8-V10 VanDerWaalsContact CD2-O 3.22Å; L8-V10 WeakPolarHBondContact CD2-O 3.39Å; V10-L27 HydrophobicContact CB-CD1 4.26Å; V10-L27 HydrophobicContact CB-CD2 4.27Å; V10-L27 HydrophobicContact CG1-CD1 3.82Å; V10-L27 HydrophobicContact CG1-CD2 4.07Å; V10-L27 HydrophobicContact CG2-CD2 4.02Å; V10-Y31 HydrophobicContact CG2-CE2 3.84Å; V10-E82 PolarHBondContact N-O 2.71Å; V10-A83 HydrophobicContact CB-CB 3.91Å; V10-A83 VanDerWaalsContact O-CA 3.22Å; V10-A83 WeakPolarHBondContact O-CA 3.41Å; V10-V84 PolarHBondContact O-N 3.45Å; V10-K104 CarbonylContact C-O 3.56Å; V10-K104 WeakPolarHBondContact CA-O 3.16Å; V10-I106 HydrophobicContact CG1-CD1 3.6Å; V10-I106 HydrophobicContact CG1-CG1 3.92Å; V10-L209 HydrophobicContact CG2-CD1 4.44Å; V10-L209 HydrophobicContact CG2-CD2 3.67Å
11I98.9Very high82.8Confident1 Ų147.6 Ų47.61%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-104.1108.5173.5-57.6164.4000109L8 A13 V84 L96 M97 A103 K104 V105 I106L8-I11 HydrophobicContact CD2-CG1 3.61Å; I11-A13 PolarHBondContact O-N 3.1Å; I11-V84 HydrophobicContact CG2-CG1 4.46Å; I11-L96 HydrophobicContact CD1-CB 3.67Å; I11-L96 HydrophobicContact CG1-CB 4.08Å; I11-L96 HydrophobicContact CG2-CB 4.29Å; I11-L96 HydrophobicContact CG2-CD1 4.09Å; I11-M97 HydrophobicContact CD1-CB 4.45Å; I11-M97 HydrophobicContact CD1-CG 3.87Å; I11-A103 HydrophobicContact CD1-CB 3.82Å; I11-A103 HydrophobicContact CG1-CB 3.97Å; I11-K104 PolarHBondContact N-O 3.41Å; I11-V105 HydrophobicContact CB-CG2 4.36Å; I11-V105 HydrophobicContact CD1-CG2 4.48Å; I11-V105 CarbonylContact O-C 3.59Å; I11-V105 WeakPolarHBondContact O-CA 3.11Å; I11-I106 PolarHBondContact O-N 3.22Å
12G98.9Very high85.9Confident3 Ų336.4 Ų36.43%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-82.2100.517200000111G14 V84 I106G12-G14 VanDerWaalsContact C-N 3.28Å; G12-G14 PolarHBondContact O-N 3.25Å; G12-V84 VanDerWaalsContact CA-O 3.24Å; G12-V84 WeakPolarHBondContact CA-O 3.38Å; G12-V84 PolarHBondContact N-O 3.04Å; G12-I106 CarbonylContact C-O 3.51Å; G12-I106 WeakPolarHBondContact CA-O 3.43Å
13A98.8Very high88.9Confident0 Ų031 Ų310%017%0.172CC..  trans-87.58.8177.300000112.9I11 Y93 V105 I106 L107 Y180 V184I11-A13 PolarHBondContact O-N 3.1Å; A13-Y93 HydrophobicContact CB-CG 4.24Å; A13-V105 HydrophobicContact CB-CG1 3.91Å; A13-I106 PolarHBondContact N-O 2.83Å; A13-L107 HydrophobicContact CB-CD1 4.43Å; A13-L107 WeakPolarHBondContact O-CD1 3.13Å; A13-Y180 WeakPolarHBondContact O-CE1 3.18Å; A13-Y180 PolarHBondContact O-OH 3.47Å; A13-V184 HydrophobicContact CB-CG1 3.93Å; A13-V184 HydrophobicContact CB-CG2 4.4Å
14G98.7Very high91.8Very high1 Ų122 Ų221%0.0113%0.13CC..PPolyproline II helixtrans-72.3134.5176.400000112.6G12 T108G12-G14 VanDerWaalsContact C-N 3.28Å; G12-G14 PolarHBondContact O-N 3.25Å; G14-T108 WeakPolarHBondContact CA-OG1 3.39Å
15L98.5Very high94.3Very high0 Ų021 Ų210%012%0.119CC..PPolyproline II helixtrans-61.1157.9170.1-73.3172.3000111.3T18 T20 A159 F160 F177 Y180L15-T18 HydrophobicContact CB-CG2 4.3Å; L15-T18 WeakPolarHBondContact O-CB 3.45Å; L15-T18 VanDerWaalsContact O-CG2 3.29Å; L15-T18 WeakPolarHBondContact O-CG2 3.37Å; L15-T18 PolarHBondContact O-N 2.67Å; L15-T18 PolarHBondContact O-OG1 3.07Å; L15-T20 WeakPolarHBondContact O-CG2 3.24Å; L15-A159 HydrophobicContact CD2-CB 3.95Å; L15-F160 HydrophobicContact CD1-CE1 3.99Å; L15-F160 HydrophobicContact CD2-CE1 4.32Å; L15-F177 HydrophobicContact CD1-CD2 3.59Å; L15-F177 HydrophobicContact CD1-CE2 4.2Å; L15-F177 HydrophobicContact CD1-CG 4.46Å; L15-Y180 HydrophobicContact CD1-CD1 3.58Å; L15-Y180 HydrophobicContact CD1-CE1 4.21Å; L15-Y180 HydrophobicContact CD1-CG 4.02Å; L15-Y180 HydrophobicContact CD2-CD1 3.94Å; L15-Y180 HydrophobicContact CD2-CE1 3.88Å; L15-Y180 HydrophobicContact CD2-CE2 4.5Å; L15-Y180 HydrophobicContact CD2-CG 4.26Å; L15-Y180 HydrophobicContact CG-CD1 3.47Å; L15-Y180 VanDerWaalsContact CG-CD1 3.47Å; L15-Y180 HydrophobicContact CG-CE1 3.56Å; L15-Y180 HydrophobicContact CG-CG 4.17Å
16P97.5Very high96.5Very high1 Ų118 Ų181%0.00610%0.098CC..THydrogen-bonded Turntrans-50.5150.7171.317.6-31.4000112.1T18 D86 V87 W115 F119 L123 M156P16-T18 PolarHBondContact O-N 3.46Å; P16-D86 WeakPolarHBondContact CA-OD1 3.37Å; P16-D86 VanDerWaalsContact CB-OD1 3.31Å; P16-D86 WeakPolarHBondContact CB-OD1 3.46Å; P16-V87 HydrophobicContact CB-CG2 4.31Å; P16-V87 HydrophobicContact CG-CG1 4.31Å; P16-V87 HydrophobicContact CG-CG2 4.13Å; P16-W115 PolarHBondContact O-NE1 3.3Å; P16-F119 HydrophobicContact CG-CD2 4.44Å; P16-F119 HydrophobicContact CG-CE2 3.99Å; P16-L123 HydrophobicContact CB-CD1 3.43Å; P16-L123 VanDerWaalsContact CB-CD1 3.43Å; P16-L123 HydrophobicContact CG-CD1 4.08Å; P16-M156 HydrophobicContact CG-CE 4.49Å; P16-M156 HydrophobicContact CG-SD 3.97Å
17R96.9Very high97.8Very high20 Ų2013.8 Ų13.88%0.0758%0.075CC..THydrogen-bonded Turntrans67.812.7179.4-43.3-51.3-57.5166.14.8115.7R110 S118 F119 L123 N223R17-R110 WeakPolarHBondContact O-CD 3.4Å; R17-R110 PolarHBondContact O-NH1 2.89Å; R17-R110 VanDerWaalsContact O-NH1 3.08Å; R17-S118 PolarHBondContact NE-OG 2.95Å; R17-S118 PolarHBondContact NH2-OG 3.3Å; R17-F119 HydrophobicContact CG-CB 4.34Å; R17-F119 HydrophobicContact CG-CD2 4.19Å; R17-L123 HydrophobicContact CG-CD1 3.71Å; R17-L123 HydrophobicContact CG-CG 4.34Å; R17-N223 PolarHBondContact NH1-ND2 3.45Å; R17-N223 PolarHBondContact NH1-OD1 2.79Å; R17-N223 PolarHBondContact NH2-O 2.93Å
18T97.7Very high98.1Very high1 Ų112.6 Ų12.61%0.0067%0.067CC..SBendtrans-96.56.3173.563.30000114.1L15 P16 T108 R110 F177L15-T18 HydrophobicContact CB-CG2 4.3Å; L15-T18 WeakPolarHBondContact O-CB 3.45Å; L15-T18 VanDerWaalsContact O-CG2 3.29Å; L15-T18 WeakPolarHBondContact O-CG2 3.37Å; L15-T18 PolarHBondContact O-N 2.67Å; L15-T18 PolarHBondContact O-OG1 3.07Å; P16-T18 PolarHBondContact O-N 3.46Å; T18-T108 VanDerWaalsContact CB-O 3.28Å; T18-T108 WeakPolarHBondContact CB-O 3.29Å; T18-T108 WeakPolarHBondContact O-CB 3.12Å; T18-T108 PolarHBondContact OG1-O 2.97Å; T18-T108 PolarHBondContact OG1-OG1 2.79Å; T18-R110 HydrophobicContact CG2-CG 4.47Å; T18-F177 HydrophobicContact CG2-CE2 3.78Å; T18-F177 HydrophobicContact CG2-CZ 4.22Å
19G97.2Very high98.2Very high17 Ų1714.7 Ų14.718%0.1758%0.078CC..SBendtrans106.510.1-175.800000114.4K21 S22 L23G19-K21 VanDerWaalsContact C-N 3.33Å; G19-K21 PolarHBondContact O-N 2.8Å; G19-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 PolarHBondContact O-N 2.88Å; G19-L23 PolarHBondContact O-N 3.24Å
20T98.2Very high98.2Very high5 Ų512.7 Ų12.73%0.0317%0.068CC..Hα-helixtrans-49.3-45.9-178.454.50000113.8L15 S22 L23 K24 H37 D86L15-T20 WeakPolarHBondContact O-CG2 3.24Å; T20-S22 PolarHBondContact O-N 2.79Å; T20-L23 PolarHBondContact O-N 2.99Å; T20-K24 WeakPolarHBondContact O-CB 3.31Å; T20-K24 PolarHBondContact O-N 3.16Å; T20-H37 PolarHBondContact OG1-NE2 3.13Å; T20-D86 HydrophobicContact CG2-CB 4.15Å
21K97.7Very high98.1Very high39 Ų3915.2 Ų15.217%0.178%0.078CC..Hα-helixtrans-67.4-35.7179.3-169.266.6179.690.90113.3G19 K24 N25 H37 T39 I222 N223G19-K21 VanDerWaalsContact C-N 3.33Å; G19-K21 PolarHBondContact O-N 2.8Å; K21-K24 HydrophobicContact CD-CD 3.94Å; K21-N25 PolarHBondContact NZ-OD1 2.83Å; K21-N25 PolarHBondContact O-N 3.32Å; K21-N25 VanDerWaalsContact O-N 3.14Å; K21-N25 PolarHBondContact O-OD1 2.91Å; K21-H37 VanDerWaalsContact CA-NE2 3.34Å; K21-H37 WeakPolarHBondContact CA-NE2 3.31Å; K21-H37 PolarHBondContact N-NE2 3.45Å; K21-T39 HydrophobicContact CD-CG2 3.93Å; K21-I222 HydrophobicContact CB-CD1 4.5Å; K21-I222 HydrophobicContact CG-CD1 3.7Å; K21-I222 HydrophobicContact CG-CG1 4.22Å; K21-N223 HydrophobicContact CB-CB 4.02Å; K21-N223 HydrophobicContact CG-CB 4.3Å
22S98Very high98Very high6 Ų622.9 Ų22.94%0.04211%0.113CC..Hα-helixtrans-69.5-42.1175.1-65.80000110.6G19 T20 N25 A26 P220 I222G19-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 PolarHBondContact O-N 2.88Å; T20-S22 PolarHBondContact O-N 2.79Å; S22-N25 PolarHBondContact O-N 2.84Å; S22-A26 WeakPolarHBondContact O-CB 3.43Å; S22-A26 PolarHBondContact O-N 3.34Å; S22-P220 VanDerWaalsContact CB-O 3.27Å; S22-P220 WeakPolarHBondContact CB-O 3.18Å; S22-P220 PolarHBondContact OG-O 2.85Å; S22-I222 WeakPolarHBondContact OG-CG1 3.45Å; S22-I222 PolarHBondContact OG-N 3.31Å; S22-I222 VanDerWaalsContact OG-N 3.13Å; S22-I222 PolarHBondContact OG-O 3.48Å
23L98.6Very high97.9Very high1 Ų127.3 Ų27.31%0.00513%0.132CC..Hα-helixtrans-61.1-45.2173.1179.261.4000111.7G19 T20 N25 A26 L27 T85 I106 T108 L205G19-L23 PolarHBondContact O-N 3.24Å; T20-L23 PolarHBondContact O-N 2.99Å; L23-N25 VanDerWaalsContact C-N 3.34Å; L23-N25 PolarHBondContact O-N 2.9Å; L23-A26 WeakPolarHBondContact O-CB 3.35Å; L23-A26 PolarHBondContact O-N 3.15Å; L23-A26 VanDerWaalsContact O-N 3.08Å; L23-L27 HydrophobicContact CD1-CD1 4.03Å; L23-L27 HydrophobicContact CD1-CD2 4.39Å; L23-L27 HydrophobicContact CD1-CG 4Å; L23-L27 HydrophobicContact CG-CD1 3.86Å; L23-L27 HydrophobicContact CG-CG 4.28Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.37Å; L23-L27 PolarHBondContact O-N 3.39Å; L23-T85 HydrophobicContact CB-CG2 4.48Å; L23-T85 HydrophobicContact CD2-CG2 3.92Å; L23-T85 HydrophobicContact CG-CG2 4.05Å; L23-I106 HydrophobicContact CD1-CD1 4.22Å; L23-I106 HydrophobicContact CD2-CB 4.25Å; L23-I106 HydrophobicContact CD2-CG2 3.83Å; L23-T108 HydrophobicContact CB-CG2 4.44Å; L23-T108 HydrophobicContact CD2-CG2 3.75Å; L23-L205 HydrophobicContact CD1-CD1 4.2Å; L23-L205 HydrophobicContact CD1-CD2 4.14Å
24K98.6Very high97.8Very high3 Ų329.6 Ų29.61%0.01315%0.146CC..Hα-helixtrans-50.9-54173.6-176.9-151.8-170.7-64.90110.9T20 K21 A26 L27 E28 C35 H37 E40T20-K24 WeakPolarHBondContact O-CB 3.31Å; T20-K24 PolarHBondContact O-N 3.16Å; K21-K24 HydrophobicContact CD-CD 3.94Å; K24-A26 VanDerWaalsContact C-N 3.3Å; K24-A26 PolarHBondContact O-N 2.83Å; K24-L27 PolarHBondContact O-N 2.65Å; K24-E28 IonicContact NZ-OE1 2.91Å; K24-E28 PolarHBondContact NZ-OE1 3.32Å; K24-E28 IonicContact NZ-OE2 3.94Å; K24-E28 PolarHBondContact NZ-OE2 3.37Å; K24-E28 WeakPolarHBondContact O-CG 3.24Å; K24-E28 PolarHBondContact O-N 3.49Å; K24-C35 HydrophobicContact CB-CB 4.41Å; K24-C35 WeakPolarHBondContact CE-O 3.42Å; K24-C35 HydrophobicContact CG-CB 3.61Å; K24-C35 WeakPolarHBondContact CG-O 3.19Å; K24-C35 PolarHBondContact NZ-O 3.28Å; K24-H37 HydrophobicContact CD-CB 3.63Å; K24-H37 HydrophobicContact CG-CB 4.16Å; K24-E40 WeakPolarHBondContact CE-OE1 3.47Å; K24-E40 IonicContact NZ-OE1 2.71Å; K24-E40 PolarHBondContact NZ-OE1 3.22Å
25N98.4Very high97.8Very high45 Ų4529.6 Ų29.624%0.24115%0.146CC..Hα-helixtrans-61.7-38.8179-83.139.7000112.1K21 S22 L23 L27 E28 I29 P220 I222K21-N25 PolarHBondContact NZ-OD1 2.83Å; K21-N25 PolarHBondContact O-N 3.32Å; K21-N25 VanDerWaalsContact O-N 3.14Å; K21-N25 PolarHBondContact O-OD1 2.91Å; S22-N25 PolarHBondContact O-N 2.84Å; L23-N25 VanDerWaalsContact C-N 3.34Å; L23-N25 PolarHBondContact O-N 2.9Å; N25-L27 VanDerWaalsContact C-N 3.35Å; N25-E28 PolarHBondContact O-N 2.87Å; N25-I29 WeakPolarHBondContact O-CD1 3.29Å; N25-I29 VanDerWaalsContact O-CG1 3.28Å; N25-I29 WeakPolarHBondContact O-CG1 3.37Å; N25-I29 PolarHBondContact O-N 3.47Å; N25-P220 HydrophobicContact CB-CB 3.99Å; N25-P220 HydrophobicContact CB-CG 3.82Å; N25-I222 HydrophobicContact CB-CD1 4.22Å; N25-I222 VanDerWaalsContact ND2-CD1 3.33Å; N25-I222 WeakPolarHBondContact ND2-CD1 3.37Å
26A98.7Very high97.8Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-62.6-43.1178.300000111.7S22 L23 K24 I29 I30 W202 L205 Y219 P220S22-A26 WeakPolarHBondContact O-CB 3.43Å; S22-A26 PolarHBondContact O-N 3.34Å; L23-A26 WeakPolarHBondContact O-CB 3.35Å; L23-A26 PolarHBondContact O-N 3.15Å; L23-A26 VanDerWaalsContact O-N 3.08Å; K24-A26 VanDerWaalsContact C-N 3.3Å; K24-A26 PolarHBondContact O-N 2.83Å; A26-I29 PolarHBondContact O-N 2.73Å; A26-I30 WeakPolarHBondContact O-CG1 3.46Å; A26-I30 PolarHBondContact O-N 2.67Å; A26-W202 HydrophobicContact CB-CH2 3.67Å; A26-W202 HydrophobicContact CB-CZ3 3.63Å; A26-L205 HydrophobicContact CB-CD2 4.05Å; A26-Y219 HydrophobicContact CB-CD2 4.25Å; A26-Y219 HydrophobicContact CB-CE2 3.59Å; A26-P220 HydrophobicContact CB-CG 4.24Å
27L98.6Very high97.9Very high1 Ų129.7 Ų29.71%0.00515%0.147CC..Hα-helixtrans-67.3-37.6176.9-64.1170.6000111.8V10 L23 K24 N25 I29 I30 Y31 C35 A83 T85 L209V10-L27 HydrophobicContact CB-CD1 4.26Å; V10-L27 HydrophobicContact CB-CD2 4.27Å; V10-L27 HydrophobicContact CG1-CD1 3.82Å; V10-L27 HydrophobicContact CG1-CD2 4.07Å; V10-L27 HydrophobicContact CG2-CD2 4.02Å; L23-L27 HydrophobicContact CD1-CD1 4.03Å; L23-L27 HydrophobicContact CD1-CD2 4.39Å; L23-L27 HydrophobicContact CD1-CG 4Å; L23-L27 HydrophobicContact CG-CD1 3.86Å; L23-L27 HydrophobicContact CG-CG 4.28Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.37Å; L23-L27 PolarHBondContact O-N 3.39Å; K24-L27 PolarHBondContact O-N 2.65Å; N25-L27 VanDerWaalsContact C-N 3.35Å; L27-I29 VanDerWaalsContact C-N 3.32Å; L27-I29 PolarHBondContact O-N 3.04Å; L27-I30 PolarHBondContact O-N 2.81Å; L27-Y31 HydrophobicContact CB-CD2 4.41Å; L27-Y31 HydrophobicContact CD2-CD2 4.44Å; L27-Y31 HydrophobicContact CD2-CE2 3.97Å; L27-Y31 WeakPolarHBondContact O-CB 3.18Å; L27-Y31 WeakPolarHBondContact O-CD2 3.42Å; L27-Y31 PolarHBondContact O-N 3.22Å; L27-C35 HydrophobicContact CB-CB 4.45Å; L27-A83 HydrophobicContact CB-CB 4.31Å; L27-A83 HydrophobicContact CD1-CB 3.77Å; L27-T85 HydrophobicContact CD1-CG2 4.16Å; L27-L209 HydrophobicContact CD2-CD1 3.84Å
28E98.1Very high97.9Very high51 Ų5129.6 Ų29.624%0.23815%0.147CC..Hα-helixtrans-65.8-34.4174.6-68.4-175.8147.800112.4K24 N25 H32 K33 P34 C35K24-E28 IonicContact NZ-OE1 2.91Å; K24-E28 PolarHBondContact NZ-OE1 3.32Å; K24-E28 IonicContact NZ-OE2 3.94Å; K24-E28 PolarHBondContact NZ-OE2 3.37Å; K24-E28 WeakPolarHBondContact O-CG 3.24Å; K24-E28 PolarHBondContact O-N 3.49Å; N25-E28 PolarHBondContact O-N 2.87Å; E28-H32 VanDerWaalsContact O-CA 3.31Å; E28-H32 WeakPolarHBondContact O-CA 3.45Å; E28-H32 PolarHBondContact O-N 2.84Å; E28-K33 WeakPolarHBondContact CG-O 3.43Å; E28-P34 WeakPolarHBondContact OE1-CA 3.42Å; E28-C35 HydrophobicContact CG-CB 3.82Å; E28-C35 PolarHBondContact OE1-N 3.07Å
29I98.4Very high97.8Very high47 Ų4730.9 Ų30.924%0.24116%0.155CC..Hα-helixtrans-66.9-44.8173.2-69.7159.9000110.8N25 A26 L27 H32 W202 P214 I217 P220N25-I29 WeakPolarHBondContact O-CD1 3.29Å; N25-I29 VanDerWaalsContact O-CG1 3.28Å; N25-I29 WeakPolarHBondContact O-CG1 3.37Å; N25-I29 PolarHBondContact O-N 3.47Å; A26-I29 PolarHBondContact O-N 2.73Å; L27-I29 VanDerWaalsContact C-N 3.32Å; L27-I29 PolarHBondContact O-N 3.04Å; I29-H32 PolarHBondContact O-CE1 3.24Å; I29-H32 VanDerWaalsContact O-CE1 3.24Å; I29-H32 PolarHBondContact O-ND1 2.94Å; I29-W202 HydrophobicContact CB-CH2 4.14Å; I29-W202 HydrophobicContact CD1-CH2 4.21Å; I29-W202 HydrophobicContact CD1-CZ2 4.24Å; I29-W202 HydrophobicContact CG2-CH2 4.05Å; I29-W202 HydrophobicContact CG2-CZ2 4.34Å; I29-P214 HydrophobicContact CG2-CB 3.85Å; I29-P214 HydrophobicContact CG2-CG 3.71Å; I29-I217 HydrophobicContact CD1-CG2 4.11Å; I29-I217 HydrophobicContact CG2-CD1 4.07Å; I29-P220 HydrophobicContact CD1-CG 3.99Å
30I98.1Very high97.8Very high25 Ų2530.5 Ų30.513%0.12815%0.149CC..Hα-helixtrans-66.5-48.7-179.1-72.5168.6000111.5A26 L27 W202 L205 L209 V211 P214A26-I30 WeakPolarHBondContact O-CG1 3.46Å; A26-I30 PolarHBondContact O-N 2.67Å; L27-I30 PolarHBondContact O-N 2.81Å; I30-W202 HydrophobicContact CD1-CE3 4.28Å; I30-W202 HydrophobicContact CD1-CZ3 3.69Å; I30-W202 HydrophobicContact CG1-CH2 4.49Å; I30-W202 HydrophobicContact CG1-CZ3 3.86Å; I30-L205 HydrophobicContact CD1-CD2 4.11Å; I30-L205 HydrophobicContact CD1-CG 4.31Å; I30-L209 HydrophobicContact CD1-CD1 4.01Å; I30-V211 HydrophobicContact CD1-CG2 4.24Å; I30-V211 HydrophobicContact CG1-CG2 4.45Å; I30-V211 HydrophobicContact CG2-CB 4.29Å; I30-V211 HydrophobicContact CG2-CG1 4.13Å; I30-V211 HydrophobicContact CG2-CG2 3.82Å; I30-P214 HydrophobicContact CG1-CG 4.36Å
31Y96.7Very high97.8Very high52 Ų5230.3 Ų30.320%0.20415%0.147CC..Hα-helixtrans-97.8-9.1-168.7-66.1-61.9000114.1L9 V10 L27 K33 L209L9-Y31 HydrophobicContact CD1-CD1 3.76Å; L9-Y31 HydrophobicContact CD1-CE1 3.63Å; L9-Y31 HydrophobicContact CD1-CG 4.35Å; V10-Y31 HydrophobicContact CG2-CE2 3.84Å; L27-Y31 HydrophobicContact CB-CD2 4.41Å; L27-Y31 HydrophobicContact CD2-CD2 4.44Å; L27-Y31 HydrophobicContact CD2-CE2 3.97Å; L27-Y31 WeakPolarHBondContact O-CB 3.18Å; L27-Y31 WeakPolarHBondContact O-CD2 3.42Å; L27-Y31 PolarHBondContact O-N 3.22Å; Y31-K33 VanDerWaalsContact O-CG 3.31Å; Y31-K33 WeakPolarHBondContact O-CG 3.29Å; Y31-K33 PolarHBondContact O-N 3.32Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; Y31-L209 HydrophobicContact CE2-CD1 4.28Å
32H96.3Very high97.6Very high163 Ų16330.1 Ų30.176%0.75515%0.148SC*.SBendtrans53.532.5-176.1-54.4-60.2000113.5E28 I29E28-H32 VanDerWaalsContact O-CA 3.31Å; E28-H32 WeakPolarHBondContact O-CA 3.45Å; E28-H32 PolarHBondContact O-N 2.84Å; I29-H32 PolarHBondContact O-CE1 3.24Å; I29-H32 VanDerWaalsContact O-CE1 3.24Å; I29-H32 PolarHBondContact O-ND1 2.94Å
33K96.4Very high97.5Very high96 Ų9635.8 Ų35.842%0.41718%0.176SC..SBendtrans-146.1154.9-173-73.2-73.2-167.71680109.4E28 Y31 E82E28-K33 WeakPolarHBondContact CG-O 3.43Å; Y31-K33 VanDerWaalsContact O-CG 3.31Å; Y31-K33 WeakPolarHBondContact O-CG 3.29Å; Y31-K33 PolarHBondContact O-N 3.32Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; K33-E82 HydrophobicContact CB-CB 4.07Å; K33-E82 HydrophobicContact CB-CG 3.23Å; K33-E82 HydrophobicContact CD-CG 4.39Å; K33-E82 HydrophobicContact CG-CG 3.59Å
34P97.1Very high97.2Very high47 Ų4741.9 Ų41.931%0.30520%0.203SC..  trans-70.2144.1-171.830.2-35.7000112.1E28 N80 Y81 E82E28-P34 WeakPolarHBondContact OE1-CA 3.42Å; P34-N80 WeakPolarHBondContact CG-O 3.42Å; P34-Y81 HydrophobicContact CB-CD1 3.73Å; P34-Y81 HydrophobicContact CB-CE1 3.9Å; P34-Y81 HydrophobicContact CG-CD1 3.96Å; P34-Y81 HydrophobicContact CG-CE1 4.33Å; P34-E82 PolarHBondContact O-N 3.04Å; P34-E82 VanDerWaalsContact O-N 3.12Å
35C98.3Very high97Very high1 Ų145.3 Ų45.31%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-111126.5169.3176.10000109.4K24 L27 E28 A83K24-C35 HydrophobicContact CB-CB 4.41Å; K24-C35 WeakPolarHBondContact CE-O 3.42Å; K24-C35 HydrophobicContact CG-CB 3.61Å; K24-C35 WeakPolarHBondContact CG-O 3.19Å; K24-C35 PolarHBondContact NZ-O 3.28Å; L27-C35 HydrophobicContact CB-CB 4.45Å; E28-C35 HydrophobicContact CG-CB 3.82Å; E28-C35 PolarHBondContact OE1-N 3.07Å; C35-A83 CarbonylContact C-O 3.57Å; C35-A83 WeakPolarHBondContact CA-O 3.37Å; C35-A83 HydrophobicContact CB-CB 3.98Å; C35-A83 VanDerWaalsContact SG-CB 3.59Å
36Y98.7Very high96.9Very high0 Ų046.6 Ų46.60%022%0.223CC..EExtended strand (participates in β ladder)trans-68.7144.7178.8-159.5-78000110.6I41 D48 W52 I77 L78 Y81 A83 V84 T85Y36-I41 HydrophobicContact CE1-CD1 4.04Å; Y36-I41 HydrophobicContact CE1-CG1 3.97Å; Y36-I41 VanDerWaalsContact OH-CG1 3.24Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.28Å; Y36-D48 PolarHBondContact OH-OD2 3.43Å; Y36-W52 HydrophobicContact CE1-CZ2 4.02Å; Y36-W52 AromaticContact CE1-NE1 3.78Å; Y36-W52 AromaticContact CZ-NE1 3.63Å; Y36-W52 PolarHBondContact OH-NE1 3.28Å; Y36-I77 HydrophobicContact CE2-CG2 3.68Å; Y36-I77 WeakPolarHBondContact OH-CG2 3.35Å; Y36-L78 HydrophobicContact CD1-CD2 4.13Å; Y36-L78 HydrophobicContact CD2-CD2 3.73Å; Y36-L78 HydrophobicContact CE2-CD2 4.39Å; Y36-L78 HydrophobicContact CG-CD2 3.61Å; Y36-Y81 HydrophobicContact CD2-CD1 4.12Å; Y36-Y81 AromaticContact CD2-CD2 3.77Å; Y36-Y81 HydrophobicContact CD2-CD2 3.77Å; Y36-Y81 AromaticContact CD2-CE1 3.81Å; Y36-Y81 HydrophobicContact CD2-CE1 3.81Å; Y36-Y81 AromaticContact CD2-CE2 3.44Å; Y36-Y81 HydrophobicContact CD2-CE2 3.44Å; Y36-Y81 VanDerWaalsContact CD2-CE2 3.44Å; Y36-Y81 HydrophobicContact CD2-CG 4.09Å; Y36-Y81 AromaticContact CD2-CZ 3.44Å; Y36-Y81 VanDerWaalsContact CD2-CZ 3.44Å; Y36-Y81 AromaticContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CG-CD1 4.47Å; Y36-Y81 HydrophobicContact CG-CE1 4.37Å; Y36-Y81 VanDerWaalsContact N-CD1 3.35Å; Y36-A83 PolarHBondContact N-O 2.89Å; Y36-V84 HydrophobicContact CD1-CG2 4.27Å; Y36-V84 HydrophobicContact CG-CG2 4.42Å; Y36-T85 PolarHBondContact O-N 3.19Å; Y36-T85 PolarHBondContact O-OG1 2.71Å; Y36-T85 VanDerWaalsContact O-OG1 3.12Å
37H98.6Very high96.7Very high4 Ų453 Ų532%0.01926%0.258CS..  trans-164.5160.3-179.4-170.7-65.1000108.8T20 K21 K24 T39 E40 T85 D86T20-H37 PolarHBondContact OG1-NE2 3.13Å; K21-H37 VanDerWaalsContact CA-NE2 3.34Å; K21-H37 WeakPolarHBondContact CA-NE2 3.31Å; K21-H37 PolarHBondContact N-NE2 3.45Å; K24-H37 HydrophobicContact CD-CB 3.63Å; K24-H37 HydrophobicContact CG-CB 4.16Å; H37-T39 PolarHBondContact ND1-N 3.4Å; H37-T39 PolarHBondContact O-N 2.9Å; H37-E40 WeakPolarHBondContact O-CB 3.43Å; H37-E40 PolarHBondContact O-N 2.74Å; H37-T85 WeakPolarHBondContact CA-O 3.48Å; H37-T85 PolarHBondContact CD2-OG1 3.5Å; H37-T85 VanDerWaalsContact CD2-OG1 3.31Å; H37-D86 IonicContact CE1-OD2 2.61Å; H37-D86 PolarHBondContact CE1-OD2 3.48Å; H37-D86 IonicContact ND1-OD2 3.05Å; H37-D86 PolarHBondContact ND1-OD2 3.08Å; H37-D86 VanDerWaalsContact ND1-OD2 3.17Å; H37-D86 IonicContact NE2-OD2 2.9Å
38M97.4Very high96.7Very high17 Ų1753.3 Ų53.38%0.08426%0.259CS..Hα-helixtrans-45.9-32.8169.8-172.1577800114.1E40 I41 I42 D86 V87 F148 M151M38-E40 VanDerWaalsContact C-N 3.29Å; M38-E40 PolarHBondContact O-N 3.01Å; M38-I41 WeakPolarHBondContact O-CB 3.18Å; M38-I41 PolarHBondContact O-N 3.47Å; M38-I41 HydrophobicContact SD-CB 4.42Å; M38-I41 HydrophobicContact SD-CD1 4.07Å; M38-I42 HydrophobicContact CG-CD1 3.86Å; M38-I42 HydrophobicContact CG-CG1 4.38Å; M38-I42 WeakPolarHBondContact O-CG1 3.44Å; M38-I42 PolarHBondContact O-N 3.39Å; M38-D86 VanDerWaalsContact CB-OD2 3.22Å; M38-D86 WeakPolarHBondContact CB-OD2 3.44Å; M38-V87 WeakPolarHBondContact CB-O 3.27Å; M38-V87 HydrophobicContact CE-CB 4.11Å; M38-V87 HydrophobicContact CE-CG2 3.68Å; M38-V87 PolarHBondContact N-O 2.9Å; M38-F148 HydrophobicContact SD-CE2 3.63Å; M38-F148 HydrophobicContact SD-CZ 4.02Å; M38-M151 HydrophobicContact CE-CE 4.02Å; M38-M151 HydrophobicContact CE-SD 4.35Å; M38-M151 HydrophobicContact SD-CE 4.06Å
39T96.4Very high96.7Very high28 Ų2851.7 Ų51.717%0.17225%0.252CS..Hα-helixtrans-67.9-27.7177.857.20000113.3K21 H37 I41 I43K21-T39 HydrophobicContact CD-CG2 3.93Å; H37-T39 PolarHBondContact ND1-N 3.4Å; H37-T39 PolarHBondContact O-N 2.9Å; T39-I41 VanDerWaalsContact C-N 3.35Å; T39-I43 VanDerWaalsContact O-CB 3.25Å; T39-I43 WeakPolarHBondContact O-CB 3.2Å; T39-I43 VanDerWaalsContact O-CG1 3.25Å; T39-I43 WeakPolarHBondContact O-CG1 3.33Å; T39-I43 PolarHBondContact O-N 3.38Å
40E97.3Very high96.7Very high10 Ų1053.5 Ų53.55%0.04726%0.262CS..Hα-helixtrans-67.1-39.1174-60.9-59.813700110.4K24 H37 M38 K44 Q45 Y81K24-E40 WeakPolarHBondContact CE-OE1 3.47Å; K24-E40 IonicContact NZ-OE1 2.71Å; K24-E40 PolarHBondContact NZ-OE1 3.22Å; H37-E40 WeakPolarHBondContact O-CB 3.43Å; H37-E40 PolarHBondContact O-N 2.74Å; M38-E40 VanDerWaalsContact C-N 3.29Å; M38-E40 PolarHBondContact O-N 3.01Å; E40-K44 CarbonylContact O-C 3.6Å; E40-K44 WeakPolarHBondContact O-CA 3.27Å; E40-K44 WeakPolarHBondContact O-CB 3.4Å; E40-K44 PolarHBondContact O-N 3.35Å; E40-K44 IonicContact OE1-NZ 3.03Å; E40-K44 PolarHBondContact OE1-NZ 3.01Å; E40-K44 VanDerWaalsContact OE2-CD 3.29Å; E40-K44 WeakPolarHBondContact OE2-CD 3.41Å; E40-K44 WeakPolarHBondContact OE2-CE 3.32Å; E40-K44 IonicContact OE2-NZ 2.62Å; E40-K44 PolarHBondContact OE2-NZ 2.78Å; E40-Q45 PolarHBondContact O-N 2.99Å; E40-Y81 HydrophobicContact CG-CE1 4.22Å
41I97.4Very high96.7Very high0 Ų055.7 Ų55.70%027%0.271CS..Hα-helixtrans-62.5-53.8173.7-61.3172.3000110.1Y36 M38 T39 I43 Q45 Q46 I49 P88 M151Y36-I41 HydrophobicContact CE1-CD1 4.04Å; Y36-I41 HydrophobicContact CE1-CG1 3.97Å; Y36-I41 VanDerWaalsContact OH-CG1 3.24Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.28Å; M38-I41 WeakPolarHBondContact O-CB 3.18Å; M38-I41 PolarHBondContact O-N 3.47Å; M38-I41 HydrophobicContact SD-CB 4.42Å; M38-I41 HydrophobicContact SD-CD1 4.07Å; T39-I41 VanDerWaalsContact C-N 3.35Å; I41-I43 VanDerWaalsContact C-N 3.33Å; I41-I43 PolarHBondContact O-N 3.16Å; I41-Q45 CarbonylContact O-C 3.54Å; I41-Q45 VanDerWaalsContact O-C 3.32Å; I41-Q45 PolarHBondContact O-N 2.89Å; I41-Q46 WeakPolarHBondContact O-CA 3.39Å; I41-Q46 VanDerWaalsContact O-CG 3.31Å; I41-Q46 WeakPolarHBondContact O-CG 3.43Å; I41-Q46 PolarHBondContact O-N 3.12Å; I41-Q46 VanDerWaalsContact O-N 3.11Å; I41-I49 HydrophobicContact CG2-CD1 4.26Å; I41-I49 HydrophobicContact CG2-CG1 3.59Å; I41-P88 HydrophobicContact CD1-CG 3.53Å; I41-M151 HydrophobicContact CD1-CE 4.17Å; I41-M151 HydrophobicContact CG2-CE 4.39Å
42I94.7Very high96.8Very high35 Ų3553.2 Ų53.218%0.17926%0.261CS..Hα-helixtrans-59.9-43.2-175.3-67.9168.1000111.6M38 Q46 L142 L144 F148M38-I42 HydrophobicContact CG-CD1 3.86Å; M38-I42 HydrophobicContact CG-CG1 4.38Å; M38-I42 WeakPolarHBondContact O-CG1 3.44Å; M38-I42 PolarHBondContact O-N 3.39Å; I42-Q46 PolarHBondContact O-NE2 3.12Å; I42-Q46 VanDerWaalsContact O-NE2 3.09Å; I42-L142 HydrophobicContact CG2-CD1 4.06Å; I42-L144 HydrophobicContact CD1-CD1 4.5Å; I42-L144 HydrophobicContact CG1-CD1 4.07Å; I42-L144 HydrophobicContact CG1-CD2 4.44Å; I42-L144 HydrophobicContact CG2-CD1 4.13Å; I42-F148 HydrophobicContact CD1-CE2 4.42Å; I42-F148 HydrophobicContact CD1-CZ 4.06Å; I42-F148 HydrophobicContact CG1-CE2 3.92Å; I42-F148 HydrophobicContact CG1-CZ 4.01Å
43I93.9Very high96.9Very high125 Ų12546.3 Ų46.364%0.64123%0.229SC*.Hα-helixtrans-96.3-35.2-167.7-58.3170.5000112.7T39 I41T39-I43 VanDerWaalsContact O-CB 3.25Å; T39-I43 WeakPolarHBondContact O-CB 3.2Å; T39-I43 VanDerWaalsContact O-CG1 3.25Å; T39-I43 WeakPolarHBondContact O-CG1 3.33Å; T39-I43 PolarHBondContact O-N 3.38Å; I41-I43 VanDerWaalsContact C-N 3.33Å; I41-I43 PolarHBondContact O-N 3.16Å
44K94Very high96.9Very high130 Ų13048.4 Ų48.457%0.56524%0.238SC*.THydrogen-bonded Turntrans-125.4-34.5-167-56.9-173.4-161.4149.60114.1E40E40-K44 CarbonylContact O-C 3.6Å; E40-K44 WeakPolarHBondContact O-CA 3.27Å; E40-K44 WeakPolarHBondContact O-CB 3.4Å; E40-K44 PolarHBondContact O-N 3.35Å; E40-K44 IonicContact OE1-NZ 3.03Å; E40-K44 PolarHBondContact OE1-NZ 3.01Å; E40-K44 VanDerWaalsContact OE2-CD 3.29Å; E40-K44 WeakPolarHBondContact OE2-CD 3.41Å; E40-K44 WeakPolarHBondContact OE2-CE 3.32Å; E40-K44 IonicContact OE2-NZ 2.62Å; E40-K44 PolarHBondContact OE2-NZ 2.78Å
45Q94.4Very high97Very high75 Ų7546.3 Ų46.335%0.3523%0.225SC..  trans-126.748.1-166.1-57-675.400112.1E40 I41 N47 D48E40-Q45 PolarHBondContact O-N 2.99Å; I41-Q45 CarbonylContact O-C 3.54Å; I41-Q45 VanDerWaalsContact O-C 3.32Å; I41-Q45 PolarHBondContact O-N 2.89Å; Q45-N47 PolarHBondContact O-N 2.85Å; Q45-D48 HydrophobicContact CB-CB 4.36Å; Q45-D48 WeakPolarHBondContact CB-OD2 3.49Å; Q45-D48 VanDerWaalsContact O-CB 3.32Å; Q45-D48 WeakPolarHBondContact O-CB 3.46Å; Q45-D48 PolarHBondContact O-N 2.83Å
46Q95.4Very high96.9Very high71 Ų7146.3 Ų46.333%0.33222%0.224SC..THydrogen-bonded Turntrans-59.6-23.4179.5-68.8-169.55.200112.9I41 I42 D48 I49 L142I41-Q46 WeakPolarHBondContact O-CA 3.39Å; I41-Q46 VanDerWaalsContact O-CG 3.31Å; I41-Q46 WeakPolarHBondContact O-CG 3.43Å; I41-Q46 PolarHBondContact O-N 3.12Å; I41-Q46 VanDerWaalsContact O-N 3.11Å; I42-Q46 PolarHBondContact O-NE2 3.12Å; I42-Q46 VanDerWaalsContact O-NE2 3.09Å; Q46-D48 PolarHBondContact O-N 2.85Å; Q46-I49 HydrophobicContact CB-CD1 4.25Å; Q46-I49 VanDerWaalsContact O-CB 3.32Å; Q46-I49 WeakPolarHBondContact O-CB 3.43Å; Q46-I49 WeakPolarHBondContact O-CD1 3.24Å; Q46-I49 WeakPolarHBondContact O-CG1 3.22Å; Q46-I49 PolarHBondContact O-N 3.22Å; Q46-I49 VanDerWaalsContact O-N 3.13Å; Q46-L142 PolarHBondContact NE2-O 2.88Å
47N95.4Very high96.8Very high135 Ų13550.1 Ų50.172%0.72225%0.245SC*.THydrogen-bonded Turntrans-64.9-20.2173.1-66.8-22.9000113.3Q45 I49Q45-N47 PolarHBondContact O-N 2.85Å; N47-I49 PolarHBondContact O-N 2.87Å
48D97.8Very high96.7Very high8 Ų850.9 Ų50.94%0.04325%0.248CC..Hα-helixtrans-72.1-14.8175.2-71.9-11.3000112.2Y36 Q45 Q46 D50 K51 W52Y36-D48 PolarHBondContact OH-OD2 3.43Å; Q45-D48 HydrophobicContact CB-CB 4.36Å; Q45-D48 WeakPolarHBondContact CB-OD2 3.49Å; Q45-D48 VanDerWaalsContact O-CB 3.32Å; Q45-D48 WeakPolarHBondContact O-CB 3.46Å; Q45-D48 PolarHBondContact O-N 2.83Å; Q46-D48 PolarHBondContact O-N 2.85Å; D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact O-N 2.95Å; D48-K51 PolarHBondContact O-N 2.93Å; D48-K51 VanDerWaalsContact O-N 3.12Å; D48-K51 IonicContact OD1-NZ 3.52Å; D48-W52 WeakPolarHBondContact O-CB 3.27Å; D48-W52 PolarHBondContact O-N 2.71Å
49I98.2Very high96.6Very high16 Ų1650.9 Ų50.98%0.08225%0.251CS..Hα-helixtrans-55.9-48.6177.3-65.4167.5000110.4I41 Q46 N47 K51 Q53 K147 F148 M151I41-I49 HydrophobicContact CG2-CD1 4.26Å; I41-I49 HydrophobicContact CG2-CG1 3.59Å; Q46-I49 HydrophobicContact CB-CD1 4.25Å; Q46-I49 VanDerWaalsContact O-CB 3.32Å; Q46-I49 WeakPolarHBondContact O-CB 3.43Å; Q46-I49 WeakPolarHBondContact O-CD1 3.24Å; Q46-I49 WeakPolarHBondContact O-CG1 3.22Å; Q46-I49 PolarHBondContact O-N 3.22Å; Q46-I49 VanDerWaalsContact O-N 3.13Å; N47-I49 PolarHBondContact O-N 2.87Å; I49-K51 VanDerWaalsContact C-N 3.32Å; I49-K51 PolarHBondContact O-N 3.18Å; I49-Q53 WeakPolarHBondContact O-CB 3.47Å; I49-Q53 PolarHBondContact O-N 3.47Å; I49-K147 HydrophobicContact CG2-CB 4.03Å; I49-F148 HydrophobicContact CD1-CB 4.09Å; I49-F148 HydrophobicContact CD1-CD2 4.06Å; I49-F148 HydrophobicContact CG1-CD2 4.35Å; I49-M151 HydrophobicContact CG1-CE 4.41Å; I49-M151 HydrophobicContact CG2-CB 4.19Å
50D98Very high96.5Very high85 Ų8551.6 Ų51.646%0.45525%0.254SS..Hα-helixtrans-68.5-32.1179.3-78.2-33.7000112D48 K54 K147D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact O-N 2.95Å; D50-K54 PolarHBondContact O-N 3.31Å; D50-K147 VanDerWaalsContact CG-NZ 3.31Å; D50-K147 WeakPolarHBondContact OD1-CD 3.22Å; D50-K147 WeakPolarHBondContact OD1-CE 3.22Å; D50-K147 IonicContact OD1-NZ 2.81Å; D50-K147 PolarHBondContact OD1-NZ 3.35Å; D50-K147 IonicContact OD2-NZ 2.75Å; D50-K147 PolarHBondContact OD2-NZ 3.43Å
51K98.3Very high96.2Very high71 Ų7156 Ų5631%0.30927%0.273SS..Hα-helixtrans-69-48.3177.1-57.5-174.5-172.4-177.10111.4D48 I49 Q53 K54 L55 E76 I77D48-K51 PolarHBondContact O-N 2.93Å; D48-K51 VanDerWaalsContact O-N 3.12Å; D48-K51 IonicContact OD1-NZ 3.52Å; I49-K51 VanDerWaalsContact C-N 3.32Å; I49-K51 PolarHBondContact O-N 3.18Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.06Å; K51-K54 WeakPolarHBondContact O-CB 3.32Å; K51-K54 PolarHBondContact O-N 2.94Å; K51-L55 PolarHBondContact O-N 3Å; K51-L55 VanDerWaalsContact O-N 3.15Å; K51-E76 WeakPolarHBondContact CE-OE1 3.41Å; K51-E76 IonicContact NZ-OE1 2.82Å; K51-E76 PolarHBondContact NZ-OE1 3.08Å; K51-I77 HydrophobicContact CB-CD1 3.79Å; K51-I77 HydrophobicContact CB-CG1 4Å; K51-I77 HydrophobicContact CD-CG1 4.07Å
52W98.6Very high95.3Very high0 Ų064.1 Ų64.10%031%0.313CS..Hα-helixtrans-60-42.9174.3-80.3115.3000111.4Y36 D48 K54 L55 F56 L74 I77 P88 A89 F92 M151Y36-W52 HydrophobicContact CE1-CZ2 4.02Å; Y36-W52 AromaticContact CE1-NE1 3.78Å; Y36-W52 AromaticContact CZ-NE1 3.63Å; Y36-W52 PolarHBondContact OH-NE1 3.28Å; D48-W52 WeakPolarHBondContact O-CB 3.27Å; D48-W52 PolarHBondContact O-N 2.71Å; W52-K54 VanDerWaalsContact C-N 3.31Å; W52-K54 PolarHBondContact O-N 3.36Å; W52-L55 HydrophobicContact CE3-CD1 4.01Å; W52-L55 HydrophobicContact CZ3-CD1 4.04Å; W52-L55 WeakPolarHBondContact O-CB 3.39Å; W52-L55 PolarHBondContact O-N 3.04Å; W52-F56 HydrophobicContact CB-CD2 4.49Å; W52-F56 HydrophobicContact CB-CE2 4.04Å; W52-F56 HydrophobicContact CE3-CZ 4.24Å; W52-F56 WeakPolarHBondContact O-CD2 3.1Å; W52-F56 WeakPolarHBondContact O-CG 3.46Å; W52-F56 PolarHBondContact O-N 2.91Å; W52-L74 HydrophobicContact CH2-CD2 3.7Å; W52-L74 HydrophobicContact CZ3-CD2 3.65Å; W52-I77 HydrophobicContact CD2-CD1 3.81Å; W52-I77 HydrophobicContact CE3-CD1 4.22Å; W52-I77 HydrophobicContact CG-CD1 4.12Å; W52-I77 HydrophobicContact CZ2-CB 4.4Å; W52-I77 HydrophobicContact CZ2-CD1 4.19Å; W52-I77 HydrophobicContact CZ2-CG2 3.57Å; W52-P88 HydrophobicContact CB-CG 4.42Å; W52-P88 HydrophobicContact CD2-CB 3.76Å; W52-P88 HydrophobicContact CD2-CG 3.33Å; W52-P88 HydrophobicContact CE3-CB 3.88Å; W52-P88 HydrophobicContact CE3-CG 3.92Å; W52-P88 HydrophobicContact CG-CB 4.06Å; W52-P88 HydrophobicContact CG-CG 3.55Å; W52-P88 HydrophobicContact CH2-CG 4.38Å; W52-P88 HydrophobicContact CZ2-CG 3.84Å; W52-P88 HydrophobicContact CZ3-CB 4.39Å; W52-P88 HydrophobicContact CZ3-CG 4.41Å; W52-A89 HydrophobicContact CH2-CB 3.68Å; W52-A89 HydrophobicContact CZ2-CB 4.12Å; W52-F92 HydrophobicContact CE3-CE2 4.3Å; W52-F92 AromaticContact CZ3-CD2 3.8Å; W52-F92 HydrophobicContact CZ3-CD2 3.8Å; W52-F92 AromaticContact CZ3-CE2 3.96Å; W52-F92 HydrophobicContact CZ3-CE2 3.96Å; W52-M151 HydrophobicContact CB-CG 3.74Å; W52-M151 HydrophobicContact CB-SD 4.22Å
53Q98.2Very high94.6Very high18 Ų1871.5 Ų71.58%0.08435%0.347CS..Hα-helixtrans-59.5-42.7177.7-171.259.269.900112I49 K51 L55 F56 D57 M151 D154I49-Q53 WeakPolarHBondContact O-CB 3.47Å; I49-Q53 PolarHBondContact O-N 3.47Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.06Å; Q53-L55 VanDerWaalsContact C-N 3.28Å; Q53-L55 PolarHBondContact O-N 3.02Å; Q53-F56 PolarHBondContact O-N 3.3Å; Q53-D57 PolarHBondContact NE2-OD1 2.8Å; Q53-D57 WeakPolarHBondContact O-CB 3.34Å; Q53-D57 PolarHBondContact O-N 2.8Å; Q53-M151 VanDerWaalsContact OE1-CA 3.31Å; Q53-D154 PolarHBondContact NE2-OD2 3.27Å
54K97.5Very high94.1Very high140 Ų14069.7 Ų69.761%0.60935%0.345SS*.Hα-helixtrans-60.3-38.1175-173.8-177.5176.7-172.90112.3D50 K51 W52 E58D50-K54 PolarHBondContact O-N 3.31Å; K51-K54 WeakPolarHBondContact O-CB 3.32Å; K51-K54 PolarHBondContact O-N 2.94Å; W52-K54 VanDerWaalsContact C-N 3.31Å; W52-K54 PolarHBondContact O-N 3.36Å; K54-E58 PolarHBondContact O-N 3.09Å; K54-E58 VanDerWaalsContact O-N 3.16Å
55L98.2Very high93.9Very high4 Ų466.5 Ų66.52%0.02134%0.337CS..Hα-helixtrans-66.4-40.9175.4-66.7-172.5000112.2K51 W52 Q53 E58 A59 L74 I77 F92K51-L55 PolarHBondContact O-N 3Å; K51-L55 VanDerWaalsContact O-N 3.15Å; W52-L55 HydrophobicContact CE3-CD1 4.01Å; W52-L55 HydrophobicContact CZ3-CD1 4.04Å; W52-L55 WeakPolarHBondContact O-CB 3.39Å; W52-L55 PolarHBondContact O-N 3.04Å; Q53-L55 VanDerWaalsContact C-N 3.28Å; Q53-L55 PolarHBondContact O-N 3.02Å; L55-E58 PolarHBondContact O-N 3.38Å; L55-A59 VanDerWaalsContact O-CB 3.3Å; L55-A59 WeakPolarHBondContact O-CB 3.41Å; L55-A59 PolarHBondContact O-N 3.08Å; L55-L74 HydrophobicContact CD1-CD2 3.91Å; L55-L74 HydrophobicContact CD1-CG 4.08Å; L55-I77 HydrophobicContact CD1-CD1 3.76Å; L55-F92 HydrophobicContact CB-CE2 4.26Å; L55-F92 HydrophobicContact CB-CZ 4.02Å
56F97.4Very high93.9Very high0 Ų066.1 Ų66.10%034%0.337CS..Hα-helixtrans-67.2-41.4176-64.4-48.3000112.6W52 Q53 E58 A59 L60 P88 F92 M151 D154 S155 L158W52-F56 HydrophobicContact CB-CD2 4.49Å; W52-F56 HydrophobicContact CB-CE2 4.04Å; W52-F56 HydrophobicContact CE3-CZ 4.24Å; W52-F56 WeakPolarHBondContact O-CD2 3.1Å; W52-F56 WeakPolarHBondContact O-CG 3.46Å; W52-F56 PolarHBondContact O-N 2.91Å; Q53-F56 PolarHBondContact O-N 3.3Å; F56-E58 PolarHBondContact O-N 3.32Å; F56-A59 PolarHBondContact O-N 2.92Å; F56-L60 HydrophobicContact CB-CD1 4.37Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CG 3.47Å; F56-L60 PolarHBondContact O-N 3.03Å; F56-P88 HydrophobicContact CE2-CB 3.86Å; F56-P88 HydrophobicContact CZ-CB 3.48Å; F56-P88 VanDerWaalsContact CZ-CB 3.48Å; F56-F92 AromaticContact CD1-CE2 3.87Å; F56-F92 HydrophobicContact CD1-CE2 3.87Å; F56-F92 HydrophobicContact CD1-CZ 4.15Å; F56-F92 HydrophobicContact CE1-CD2 4.28Å; F56-F92 AromaticContact CE1-CE2 3.49Å; F56-F92 HydrophobicContact CE1-CE2 3.49Å; F56-F92 VanDerWaalsContact CE1-CE2 3.49Å; F56-F92 HydrophobicContact CE1-CZ 4.21Å; F56-F92 HydrophobicContact CZ-CE2 4.33Å; F56-M151 HydrophobicContact CD2-CG 4.26Å; F56-M151 HydrophobicContact CE2-CG 3.87Å; F56-M151 WeakPolarHBondContact CE2-O 3.48Å; F56-M151 HydrophobicContact CE2-SD 4.07Å; F56-D154 HydrophobicContact CB-CB 3.94Å; F56-D154 HydrophobicContact CD2-CB 4.13Å; F56-D154 HydrophobicContact CG-CB 4.07Å; F56-S155 VanDerWaalsContact CZ-CA 3.42Å; F56-L158 HydrophobicContact CD1-CB 4.27Å; F56-L158 HydrophobicContact CD1-CD2 3.97Å; F56-L158 HydrophobicContact CE1-CB 4.27Å; F56-L158 HydrophobicContact CE1-CD2 3.74Å
57D95.7Very high93.8Very high81 Ų8169.1 Ų69.143%0.43335%0.351SS..Hα-helixtrans-61.6-28.2175.8-65.1-16.5000111.6Q53 K61 K150Q53-D57 PolarHBondContact NE2-OD1 2.8Å; Q53-D57 WeakPolarHBondContact O-CB 3.34Å; Q53-D57 PolarHBondContact O-N 2.8Å; D57-K61 WeakPolarHBondContact O-CE 3.02Å; D57-K61 WeakPolarHBondContact O-CG 3.36Å; D57-K150 IonicContact OD1-NZ 3.79Å; D57-K150 PolarHBondContact OD1-NZ 3.45Å
58E96.7Very high93.8Very high19 Ų1968 Ų689%0.08935%0.345CS..Hα-helixtrans-80-46.9172.7-169.763.7-130.700112.6K54 L55 F56 L60 K61 N66 I69 I70K54-E58 PolarHBondContact O-N 3.09Å; K54-E58 VanDerWaalsContact O-N 3.16Å; L55-E58 PolarHBondContact O-N 3.38Å; F56-E58 PolarHBondContact O-N 3.32Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.9Å; E58-K61 WeakPolarHBondContact O-CG 3.46Å; E58-K61 PolarHBondContact O-N 3.37Å; E58-K61 IonicContact OE1-NZ 3.69Å; E58-K61 PolarHBondContact OE1-NZ 3.35Å; E58-K61 WeakPolarHBondContact OE2-CE 3.49Å; E58-K61 IonicContact OE2-NZ 2.71Å; E58-K61 PolarHBondContact OE2-NZ 3.33Å; E58-N66 HydrophobicContact CG-CB 4.28Å; E58-N66 WeakPolarHBondContact OE1-CB 3.3Å; E58-N66 PolarHBondContact OE1-N 2.8Å; E58-I69 HydrophobicContact CB-CG2 4.43Å; E58-I69 HydrophobicContact CG-CB 4.26Å; E58-I69 HydrophobicContact CG-CG2 4.1Å; E58-I70 HydrophobicContact CB-CG1 4.45Å; E58-I70 HydrophobicContact CG-CD1 4.47Å; E58-I70 HydrophobicContact CG-CG1 4.16Å
59A95.8Very high93.7Very high18 Ų1870.5 Ų70.515%0.14936%0.357CS..Hα-helixtrans-71-27.6-174.700000113.4L55 F56 I70 F92 L158L55-A59 VanDerWaalsContact O-CB 3.3Å; L55-A59 WeakPolarHBondContact O-CB 3.41Å; L55-A59 PolarHBondContact O-N 3.08Å; F56-A59 PolarHBondContact O-N 2.92Å; A59-I70 HydrophobicContact CB-CD1 3.91Å; A59-F92 HydrophobicContact CB-CE1 3.76Å; A59-F92 HydrophobicContact CB-CZ 3.8Å; A59-L158 HydrophobicContact CB-CD1 3.83Å
60L94.4Very high93.7Very high42 Ų4270 Ų7022%0.2235%0.354CS..THydrogen-bonded Turntrans-94.89-178.4-61.8174.4000113.5F56 E58 D154 K157 L158F56-L60 HydrophobicContact CB-CD1 4.37Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CG 3.47Å; F56-L60 PolarHBondContact O-N 3.03Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.9Å; L60-D154 HydrophobicContact CD1-CB 4.09Å; L60-K157 HydrophobicContact CD1-CB 4.13Å; L60-K157 HydrophobicContact CD1-CD 4.39Å; L60-K157 HydrophobicContact CD2-CB 4.42Å; L60-L158 HydrophobicContact CD2-CB 4.26Å; L60-L158 HydrophobicContact CD2-CD1 4.09Å
61K91.2Very high93.6Very high102 Ų10268.4 Ų68.444%0.44334%0.344SS..  trans-65.3142.8174-67.1-178.4-177.3165.20111.4D57 E58D57-K61 WeakPolarHBondContact O-CE 3.02Å; D57-K61 WeakPolarHBondContact O-CG 3.36Å; E58-K61 WeakPolarHBondContact O-CG 3.46Å; E58-K61 PolarHBondContact O-N 3.37Å; E58-K61 IonicContact OE1-NZ 3.69Å; E58-K61 PolarHBondContact OE1-NZ 3.35Å; E58-K61 WeakPolarHBondContact OE2-CE 3.49Å; E58-K61 IonicContact OE2-NZ 2.71Å; E58-K61 PolarHBondContact OE2-NZ 3.33Å
62M76.9Confident93.6Very high172 Ų17269.7 Ų69.785%0.84735%0.354SS*.SBendtrans-81.9-27.9179-63.7-175.171.500114I163M62-I163 HydrophobicContact CG-CD1 4.2Å
63E80.2Confident93.6Very high190 Ų19070.2 Ų70.289%0.88836%0.36SS*.SBendtrans-87.6-54.5-169.8-63.3178.7170.300112.7
64S84.8Confident93.6Very high86 Ų8669.4 Ų69.460%0.60136%0.356SS*.  trans-163.4137.6178.562.50000110.7
65T89.6Confident93.5Very high64 Ų6467.1 Ų67.139%0.39335%0.347SS..  trans-93.2131.9174.9-56.50000110.3E67 I70T65-E67 PolarHBondContact O-N 3.4Å; T65-I70 HydrophobicContact CG2-CD1 3.23Å; T65-I70 HydrophobicContact CG2-CG1 4.4Å
66N93.1Very high93.5Very high67 Ų6772.3 Ų72.336%0.35837%0.371SS..  trans-86.299.4170.5-170.3-26.8000111.1E58 L68 I69 I70E58-N66 HydrophobicContact CG-CB 4.28Å; E58-N66 WeakPolarHBondContact OE1-CB 3.3Å; E58-N66 PolarHBondContact OE1-N 2.8Å; N66-L68 VanDerWaalsContact C-N 3.26Å; N66-L68 PolarHBondContact O-N 2.62Å; N66-L68 WeakPolarHBondContact OD1-CB 3.24Å; N66-L68 PolarHBondContact OD1-N 2.97Å; N66-L68 VanDerWaalsContact OD1-N 3.11Å; N66-I69 HydrophobicContact CB-CB 4.24Å; N66-I69 HydrophobicContact CB-CD1 3.86Å; N66-I69 HydrophobicContact CB-CG1 4.06Å; N66-I69 WeakPolarHBondContact ND2-CD1 3.47Å; N66-I69 PolarHBondContact O-N 2.77Å; N66-I69 PolarHBondContact OD1-N 3.04Å; N66-I70 PolarHBondContact O-N 2.74Å
67E93.6Very high93.5Very high134 Ų13472.7 Ų72.763%0.62637%0.372SS*.Hα-helixtrans-60.2-32.6-179-65.6-174.2-178.900113.4T65 I70 Q71T65-E67 PolarHBondContact O-N 3.4Å; E67-I70 PolarHBondContact O-N 3.14Å; E67-Q71 WeakPolarHBondContact O-CB 3.28Å; E67-Q71 VanDerWaalsContact O-CG 3.22Å; E67-Q71 WeakPolarHBondContact O-CG 3.16Å; E67-Q71 PolarHBondContact O-N 3.42Å
68L95.5Very high93.6Very high112 Ų11268.9 Ų68.959%0.58635%0.352SS*.Hα-helixtrans-66.9-40.6179-70.5170.3000111.5N66 I70 Q71 D72N66-L68 VanDerWaalsContact C-N 3.26Å; N66-L68 PolarHBondContact O-N 2.62Å; N66-L68 WeakPolarHBondContact OD1-CB 3.24Å; N66-L68 PolarHBondContact OD1-N 2.97Å; N66-L68 VanDerWaalsContact OD1-N 3.11Å; L68-I70 VanDerWaalsContact C-N 3.3Å; L68-I70 PolarHBondContact O-N 3.03Å; L68-Q71 PolarHBondContact O-N 2.92Å; L68-D72 WeakPolarHBondContact O-CB 3.44Å; L68-D72 PolarHBondContact O-N 3.2Å
69I96.2Very high93.6Very high60 Ų6071.3 Ų71.331%0.30837%0.366SS..Hα-helixtrans-61.2-42.8175.8-68.2177.5000110.4E58 N66 G73E58-I69 HydrophobicContact CB-CG2 4.43Å; E58-I69 HydrophobicContact CG-CB 4.26Å; E58-I69 HydrophobicContact CG-CG2 4.1Å; N66-I69 HydrophobicContact CB-CB 4.24Å; N66-I69 HydrophobicContact CB-CD1 3.86Å; N66-I69 HydrophobicContact CB-CG1 4.06Å; N66-I69 WeakPolarHBondContact ND2-CD1 3.47Å; N66-I69 PolarHBondContact O-N 2.77Å; N66-I69 PolarHBondContact OD1-N 3.04Å; I69-G73 PolarHBondContact O-N 3.35Å
70I97.5Very high93.5Very high4 Ų475.4 Ų75.42%0.02139%0.385CS..Hα-helixtrans-65.1-48.6177.6-65.5174.3000110.6E58 A59 T65 N66 E67 L68 D72 G73 L74 F92 E95E58-I70 HydrophobicContact CB-CG1 4.45Å; E58-I70 HydrophobicContact CG-CD1 4.47Å; E58-I70 HydrophobicContact CG-CG1 4.16Å; A59-I70 HydrophobicContact CB-CD1 3.91Å; T65-I70 HydrophobicContact CG2-CD1 3.23Å; T65-I70 HydrophobicContact CG2-CG1 4.4Å; N66-I70 PolarHBondContact O-N 2.74Å; E67-I70 PolarHBondContact O-N 3.14Å; L68-I70 VanDerWaalsContact C-N 3.3Å; L68-I70 PolarHBondContact O-N 3.03Å; I70-D72 PolarHBondContact O-N 2.93Å; I70-G73 PolarHBondContact O-N 3.39Å; I70-L74 HydrophobicContact CG2-CD1 3.64Å; I70-L74 HydrophobicContact CG2-CG 4.16Å; I70-L74 WeakPolarHBondContact O-CB 3.25Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.43Å; I70-L74 PolarHBondContact O-N 3.21Å; I70-F92 HydrophobicContact CD1-CE1 4.24Å; I70-F92 HydrophobicContact CG2-CD1 3.92Å; I70-F92 HydrophobicContact CG2-CE1 3.71Å; I70-E95 HydrophobicContact CG2-CB 4.27Å; I70-E95 HydrophobicContact CG2-CG 4.05Å
71Q97.3Very high93.6Very high53 Ų5374.4 Ų74.425%0.24838%0.378CS..Hα-helixtrans-61.5-46.7-178.7-71.5177.835.200112.3E67 L68 L74 K75 I99E67-Q71 WeakPolarHBondContact O-CB 3.28Å; E67-Q71 VanDerWaalsContact O-CG 3.22Å; E67-Q71 WeakPolarHBondContact O-CG 3.16Å; E67-Q71 PolarHBondContact O-N 3.42Å; L68-Q71 PolarHBondContact O-N 2.92Å; Q71-L74 PolarHBondContact O-N 2.71Å; Q71-K75 WeakPolarHBondContact O-CG 3.35Å; Q71-K75 PolarHBondContact O-N 3.27Å; Q71-I99 HydrophobicContact CB-CD1 4.13Å; Q71-I99 HydrophobicContact CB-CG1 4.17Å; Q71-I99 HydrophobicContact CG-CD1 4.02Å; Q71-I99 HydrophobicContact CG-CG1 3.83Å
72D97.3Very high93.9Very high97 Ų9770.8 Ų70.852%0.51936%0.363SS..Hα-helixtrans-66.8-42.6-179.4-72.2-16000111.4L68 I70 K75 E76L68-D72 WeakPolarHBondContact O-CB 3.44Å; L68-D72 PolarHBondContact O-N 3.2Å; I70-D72 PolarHBondContact O-N 2.93Å; D72-K75 PolarHBondContact O-N 3.47Å; D72-E76 WeakPolarHBondContact O-CB 3.35Å; D72-E76 PolarHBondContact O-N 2.94Å
73G97.9Very high94.9Very high12 Ų1262.7 Ų62.712%0.12432%0.323CS..Hα-helixtrans-67.9-37.7177.600000113.1I69 I70 E76 I77I69-G73 PolarHBondContact O-N 3.35Å; I70-G73 PolarHBondContact O-N 3.39Å; G73-E76 PolarHBondContact O-N 3Å; G73-I77 VanDerWaalsContact O-CG1 3.27Å; G73-I77 WeakPolarHBondContact O-CG1 3.27Å; G73-I77 PolarHBondContact O-N 3.46Å
74L98.2Very high95.8Very high0 Ų053.7 Ų53.70%028%0.282CS..Hα-helixtrans-63.8-42.4173.8-73.3173.9000111.6W52 L55 I70 Q71 L78 F92 E95 L96 I99W52-L74 HydrophobicContact CH2-CD2 3.7Å; W52-L74 HydrophobicContact CZ3-CD2 3.65Å; L55-L74 HydrophobicContact CD1-CD2 3.91Å; L55-L74 HydrophobicContact CD1-CG 4.08Å; I70-L74 HydrophobicContact CG2-CD1 3.64Å; I70-L74 HydrophobicContact CG2-CG 4.16Å; I70-L74 WeakPolarHBondContact O-CB 3.25Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.43Å; I70-L74 PolarHBondContact O-N 3.21Å; Q71-L74 PolarHBondContact O-N 2.71Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 WeakPolarHBondContact O-CG 3.23Å; L74-L78 PolarHBondContact O-N 3.09Å; L74-F92 HydrophobicContact CD1-CB 4.07Å; L74-F92 HydrophobicContact CD1-CD1 4.24Å; L74-F92 HydrophobicContact CD1-CG 4.22Å; L74-F92 HydrophobicContact CD2-CB 4.14Å; L74-F92 HydrophobicContact CD2-CD2 4.1Å; L74-F92 HydrophobicContact CD2-CG 4.1Å; L74-E95 HydrophobicContact CD1-CB 3.79Å; L74-L96 HydrophobicContact CB-CD2 4.29Å; L74-L96 HydrophobicContact CD1-CD2 4.13Å; L74-L96 HydrophobicContact CD1-CG 4.34Å; L74-L96 HydrophobicContact CD2-CD2 4.32Å; L74-L96 HydrophobicContact CG-CD2 4.5Å; L74-I99 HydrophobicContact CB-CD1 3.87Å; L74-I99 HydrophobicContact CD1-CD1 3.75Å; L74-I99 HydrophobicContact CG-CD1 4.48Å
75K97.3Very high96.5Very high93 Ų9349.7 Ų49.740%0.40425%0.253SS..Hα-helixtrans-63.3-41.4174.5-73.8173.4-178.1173.60112Q71 D72 N79 I99Q71-K75 WeakPolarHBondContact O-CG 3.35Å; Q71-K75 PolarHBondContact O-N 3.27Å; D72-K75 PolarHBondContact O-N 3.47Å; K75-N79 WeakPolarHBondContact O-CB 3.24Å; K75-N79 PolarHBondContact O-N 3.35Å; K75-N79 VanDerWaalsContact O-N 3.09Å; K75-I99 HydrophobicContact CD-CG2 4.27Å; K75-I99 VanDerWaalsContact CE-CG2 3.42Å; K75-I99 HydrophobicContact CG-CG2 3.81Å
76E97Very high96.9Very high113 Ų11347.1 Ų47.153%0.52824%0.237SC..Hα-helixtrans-62.1-50.5178.4-170.9-162.1146.700111.5K51 D72 G73 N79K51-E76 WeakPolarHBondContact CE-OE1 3.41Å; K51-E76 IonicContact NZ-OE1 2.82Å; K51-E76 PolarHBondContact NZ-OE1 3.08Å; D72-E76 WeakPolarHBondContact O-CB 3.35Å; D72-E76 PolarHBondContact O-N 2.94Å; G73-E76 PolarHBondContact O-N 3Å; E76-N79 WeakPolarHBondContact O-CB 3.22Å
77I98Very high97.1Very high7 Ų744.4 Ų44.44%0.03622%0.223CC..Hα-helixtrans-67.3-41.4-176.3-66.4167.6000111.4Y36 K51 W52 L55 G73 N79Y36-I77 HydrophobicContact CE2-CG2 3.68Å; Y36-I77 WeakPolarHBondContact OH-CG2 3.35Å; K51-I77 HydrophobicContact CB-CD1 3.79Å; K51-I77 HydrophobicContact CB-CG1 4Å; K51-I77 HydrophobicContact CD-CG1 4.07Å; W52-I77 HydrophobicContact CD2-CD1 3.81Å; W52-I77 HydrophobicContact CE3-CD1 4.22Å; W52-I77 HydrophobicContact CG-CD1 4.12Å; W52-I77 HydrophobicContact CZ2-CB 4.4Å; W52-I77 HydrophobicContact CZ2-CD1 4.19Å; W52-I77 HydrophobicContact CZ2-CG2 3.57Å; L55-I77 HydrophobicContact CD1-CD1 3.76Å; G73-I77 VanDerWaalsContact O-CG1 3.27Å; G73-I77 WeakPolarHBondContact O-CG1 3.27Å; G73-I77 PolarHBondContact O-N 3.46Å; I77-N79 VanDerWaalsContact C-N 3.31Å
78L97.8Very high97.3Very high1 Ų138 Ų381%0.00519%0.193CC..Hα-helixtrans-90.35.7-174.9-60.5175.1000113.4L8 Y36 L74 N80 Y81 V84 L96L8-L78 HydrophobicContact CD1-CB 4.15Å; L8-L78 HydrophobicContact CD1-CD1 4.23Å; Y36-L78 HydrophobicContact CD1-CD2 4.13Å; Y36-L78 HydrophobicContact CD2-CD2 3.73Å; Y36-L78 HydrophobicContact CE2-CD2 4.39Å; Y36-L78 HydrophobicContact CG-CD2 3.61Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 WeakPolarHBondContact O-CG 3.23Å; L74-L78 PolarHBondContact O-N 3.09Å; L78-N80 PolarHBondContact O-N 2.89Å; L78-Y81 PolarHBondContact O-N 3.11Å; L78-Y81 VanDerWaalsContact O-N 3.12Å; L78-V84 HydrophobicContact CD2-CB 4.14Å; L78-V84 HydrophobicContact CD2-CG2 3.9Å; L78-L96 HydrophobicContact CD1-CD1 4.44Å; L78-L96 HydrophobicContact CD1-CD2 3.37Å
79N95.4Very high97.5Very high71 Ų7132.8 Ų32.838%0.3817%0.166SC..THydrogen-bonded Turntrans-57.8134.6175.3-173.444.5000110.9N6 K75 E76 I77 Y81N6-N79 PolarHBondContact ND2-OD1 3.31Å; N6-N79 VanDerWaalsContact ND2-OD1 3.16Å; K75-N79 WeakPolarHBondContact O-CB 3.24Å; K75-N79 PolarHBondContact O-N 3.35Å; K75-N79 VanDerWaalsContact O-N 3.09Å; E76-N79 WeakPolarHBondContact O-CB 3.22Å; I77-N79 VanDerWaalsContact C-N 3.31Å; N79-Y81 VanDerWaalsContact C-N 3.31Å; N79-Y81 WeakPolarHBondContact O-CD2 3.35Å
80N94Very high97.6Very high103 Ų10330 Ų3055%0.55115%0.152SC*.THydrogen-bonded Turntrans69.912.2-175.4-46.7-63.2000116.5P34 L78P34-N80 WeakPolarHBondContact CG-O 3.42Å; L78-N80 PolarHBondContact O-N 2.89Å
81Y97.3Very high97.6Very high21 Ų2130.3 Ų30.38%0.08216%0.156CC..  trans-105.3138.7169.5-64.7-92.3000110.5P34 Y36 E40 L78 N79P34-Y81 HydrophobicContact CB-CD1 3.73Å; P34-Y81 HydrophobicContact CB-CE1 3.9Å; P34-Y81 HydrophobicContact CG-CD1 3.96Å; P34-Y81 HydrophobicContact CG-CE1 4.33Å; Y36-Y81 HydrophobicContact CD2-CD1 4.12Å; Y36-Y81 AromaticContact CD2-CD2 3.77Å; Y36-Y81 HydrophobicContact CD2-CD2 3.77Å; Y36-Y81 AromaticContact CD2-CE1 3.81Å; Y36-Y81 HydrophobicContact CD2-CE1 3.81Å; Y36-Y81 AromaticContact CD2-CE2 3.44Å; Y36-Y81 HydrophobicContact CD2-CE2 3.44Å; Y36-Y81 VanDerWaalsContact CD2-CE2 3.44Å; Y36-Y81 HydrophobicContact CD2-CG 4.09Å; Y36-Y81 AromaticContact CD2-CZ 3.44Å; Y36-Y81 VanDerWaalsContact CD2-CZ 3.44Å; Y36-Y81 AromaticContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CG-CD1 4.47Å; Y36-Y81 HydrophobicContact CG-CE1 4.37Å; Y36-Y81 VanDerWaalsContact N-CD1 3.35Å; E40-Y81 HydrophobicContact CG-CE1 4.22Å; L78-Y81 PolarHBondContact O-N 3.11Å; L78-Y81 VanDerWaalsContact O-N 3.12Å; N79-Y81 VanDerWaalsContact C-N 3.31Å; N79-Y81 WeakPolarHBondContact O-CD2 3.35Å
82E96.6Very high97.7Very high27 Ų2727.8 Ų27.813%0.12614%0.144CC..SBendtrans-90.1-15.4175.8-65.3-70.9172.100111.9L9 V10 K33 P34L9-E82 WeakPolarHBondContact CA-O 3.24Å; L9-E82 WeakPolarHBondContact CB-O 3.49Å; L9-E82 HydrophobicContact CD1-CB 4.42Å; L9-E82 WeakPolarHBondContact CD1-OE2 3.48Å; L9-E82 VanDerWaalsContact CG-OE2 3.24Å; L9-E82 WeakPolarHBondContact CG-OE2 3.34Å; L9-E82 PolarHBondContact N-O 3.47Å; V10-E82 PolarHBondContact N-O 2.71Å; K33-E82 HydrophobicContact CB-CB 4.07Å; K33-E82 HydrophobicContact CB-CG 3.23Å; K33-E82 HydrophobicContact CD-CG 4.39Å; K33-E82 HydrophobicContact CG-CG 3.59Å; P34-E82 PolarHBondContact O-N 3.04Å; P34-E82 VanDerWaalsContact O-N 3.12Å
83A98.6Very high97.7Very high1 Ų123.5 Ų23.51%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-150.7160.1-178.800000111.2V10 L27 C35 Y36V10-A83 HydrophobicContact CB-CB 3.91Å; V10-A83 VanDerWaalsContact O-CA 3.22Å; V10-A83 WeakPolarHBondContact O-CA 3.41Å; L27-A83 HydrophobicContact CB-CB 4.31Å; L27-A83 HydrophobicContact CD1-CB 3.77Å; C35-A83 CarbonylContact C-O 3.57Å; C35-A83 WeakPolarHBondContact CA-O 3.37Å; C35-A83 HydrophobicContact CB-CB 3.98Å; C35-A83 VanDerWaalsContact SG-CB 3.59Å; Y36-A83 PolarHBondContact N-O 2.89Å
84V98.8Very high97.7Very high2 Ų226.1 Ų26.11%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-135.7142.1173.665.40000110L8 V10 I11 G12 Y36 L78 A89 L96L8-V84 HydrophobicContact CD1-CB 4.41Å; L8-V84 HydrophobicContact CD1-CG1 4.49Å; L8-V84 HydrophobicContact CD2-CB 4.3Å; L8-V84 HydrophobicContact CD2-CG1 3.58Å; V10-V84 PolarHBondContact O-N 3.45Å; I11-V84 HydrophobicContact CG2-CG1 4.46Å; G12-V84 VanDerWaalsContact CA-O 3.24Å; G12-V84 WeakPolarHBondContact CA-O 3.38Å; G12-V84 PolarHBondContact N-O 3.04Å; Y36-V84 HydrophobicContact CD1-CG2 4.27Å; Y36-V84 HydrophobicContact CG-CG2 4.42Å; L78-V84 HydrophobicContact CD2-CB 4.14Å; L78-V84 HydrophobicContact CD2-CG2 3.9Å; V84-A89 HydrophobicContact CG2-CB 3.21Å; V84-L96 HydrophobicContact CG1-CD1 3.92Å
85T98.8Very high97.7Very high1 Ų128.9 Ų28.91%0.00614%0.142CC..  trans-142.6165.3175.857.30000109.3L23 L27 Y36 H37L23-T85 HydrophobicContact CB-CG2 4.48Å; L23-T85 HydrophobicContact CD2-CG2 3.92Å; L23-T85 HydrophobicContact CG-CG2 4.05Å; L27-T85 HydrophobicContact CD1-CG2 4.16Å; Y36-T85 PolarHBondContact O-N 3.19Å; Y36-T85 PolarHBondContact O-OG1 2.71Å; Y36-T85 VanDerWaalsContact O-OG1 3.12Å; H37-T85 WeakPolarHBondContact CA-O 3.48Å; H37-T85 PolarHBondContact CD2-OG1 3.5Å; H37-T85 VanDerWaalsContact CD2-OG1 3.31Å
86D98.5Very high97.8Very high11 Ų1124.5 Ų24.56%0.05912%0.123CC..SBendtrans68174.9174.4-155.324.7000114.3P16 T20 H37 M38 A89 C90P16-D86 WeakPolarHBondContact CA-OD1 3.37Å; P16-D86 VanDerWaalsContact CB-OD1 3.31Å; P16-D86 WeakPolarHBondContact CB-OD1 3.46Å; T20-D86 HydrophobicContact CG2-CB 4.15Å; H37-D86 IonicContact CE1-OD2 2.61Å; H37-D86 PolarHBondContact CE1-OD2 3.48Å; H37-D86 IonicContact ND1-OD2 3.05Å; H37-D86 PolarHBondContact ND1-OD2 3.08Å; H37-D86 VanDerWaalsContact ND1-OD2 3.17Å; H37-D86 IonicContact NE2-OD2 2.9Å; M38-D86 VanDerWaalsContact CB-OD2 3.22Å; M38-D86 WeakPolarHBondContact CB-OD2 3.44Å; D86-A89 PolarHBondContact O-N 2.89Å; D86-C90 WeakPolarHBondContact O-CB 3.33Å; D86-C90 PolarHBondContact O-N 3.44Å
87V97.7Very high97.8Very high10 Ų1019.9 Ų19.96%0.06110%0.102CC..THydrogen-bonded Turntrans-63.2152.9159-76.60000110.2P16 M38 S155 M156P16-V87 HydrophobicContact CB-CG2 4.31Å; P16-V87 HydrophobicContact CG-CG1 4.31Å; P16-V87 HydrophobicContact CG-CG2 4.13Å; M38-V87 WeakPolarHBondContact CB-O 3.27Å; M38-V87 HydrophobicContact CE-CB 4.11Å; M38-V87 HydrophobicContact CE-CG2 3.68Å; M38-V87 PolarHBondContact N-O 2.9Å; V87-S155 WeakPolarHBondContact CG1-OG 3.44Å; V87-M156 HydrophobicContact CG1-SD 3.87Å
88P98.1Very high97.8Very high0 Ų025.5 Ų25.50%013%0.132CC..THydrogen-bonded Turncis-77.5-11.50.226.8-34000115.8I41 W52 F56 M151I41-P88 HydrophobicContact CD1-CG 3.53Å; W52-P88 HydrophobicContact CB-CG 4.42Å; W52-P88 HydrophobicContact CD2-CB 3.76Å; W52-P88 HydrophobicContact CD2-CG 3.33Å; W52-P88 HydrophobicContact CE3-CB 3.88Å; W52-P88 HydrophobicContact CE3-CG 3.92Å; W52-P88 HydrophobicContact CG-CB 4.06Å; W52-P88 HydrophobicContact CG-CG 3.55Å; W52-P88 HydrophobicContact CH2-CG 4.38Å; W52-P88 HydrophobicContact CZ2-CG 3.84Å; W52-P88 HydrophobicContact CZ3-CB 4.39Å; W52-P88 HydrophobicContact CZ3-CG 4.41Å; F56-P88 HydrophobicContact CE2-CB 3.86Å; F56-P88 HydrophobicContact CZ-CB 3.48Å; F56-P88 VanDerWaalsContact CZ-CB 3.48Å; P88-M151 HydrophobicContact CB-SD 3.81Å; P88-M151 HydrophobicContact CG-SD 4.05Å
89A98.6Very high97.7Very high1 Ų126.5 Ų26.51%0.00814%0.137CC..G310 helixtrans-82.1-25.6-164.500000115.1W52 V84 D86 G91 F92W52-A89 HydrophobicContact CH2-CB 3.68Å; W52-A89 HydrophobicContact CZ2-CB 4.12Å; V84-A89 HydrophobicContact CG2-CB 3.21Å; D86-A89 PolarHBondContact O-N 2.89Å; A89-G91 PolarHBondContact O-N 2.86Å; A89-G91 VanDerWaalsContact O-N 3.08Å; A89-F92 PolarHBondContact O-N 3.33Å
90C98.6Very high97.8Very high1 Ų123.7 Ų23.71%0.00712%0.121CC..G310 helixtrans-59-26.1-174.8680000113.6D86 F92 Y93 Y180D86-C90 WeakPolarHBondContact O-CB 3.33Å; D86-C90 PolarHBondContact O-N 3.44Å; C90-F92 VanDerWaalsContact C-N 3.28Å; C90-F92 PolarHBondContact O-N 2.9Å; C90-Y93 WeakPolarHBondContact O-CD1 3.43Å; C90-Y180 PolarHBondContact O-OH 2.87Å
91G98.1Very high98Very high11 Ų1122.9 Ų22.911%0.11312%0.121CC..G310 helixtrans-66.3-28.2173.800000113.8A89 Y93A89-G91 PolarHBondContact O-N 2.86Å; A89-G91 VanDerWaalsContact O-N 3.08Å; G91-Y93 VanDerWaalsContact C-N 3.35Å; G91-Y93 PolarHBondContact O-N 3.22Å
92F98.5Very high97.9Very high0 Ų028.8 Ų28.80%015%0.154CC..G310 helixtrans-92.219.5-178.4-74.1-71000113.8W52 L55 F56 A59 I70 L74 A89 C90 K94 E95 L96 L158W52-F92 HydrophobicContact CE3-CE2 4.3Å; W52-F92 AromaticContact CZ3-CD2 3.8Å; W52-F92 HydrophobicContact CZ3-CD2 3.8Å; W52-F92 AromaticContact CZ3-CE2 3.96Å; W52-F92 HydrophobicContact CZ3-CE2 3.96Å; L55-F92 HydrophobicContact CB-CE2 4.26Å; L55-F92 HydrophobicContact CB-CZ 4.02Å; F56-F92 AromaticContact CD1-CE2 3.87Å; F56-F92 HydrophobicContact CD1-CE2 3.87Å; F56-F92 HydrophobicContact CD1-CZ 4.15Å; F56-F92 HydrophobicContact CE1-CD2 4.28Å; F56-F92 AromaticContact CE1-CE2 3.49Å; F56-F92 HydrophobicContact CE1-CE2 3.49Å; F56-F92 VanDerWaalsContact CE1-CE2 3.49Å; F56-F92 HydrophobicContact CE1-CZ 4.21Å; F56-F92 HydrophobicContact CZ-CE2 4.33Å; A59-F92 HydrophobicContact CB-CE1 3.76Å; A59-F92 HydrophobicContact CB-CZ 3.8Å; I70-F92 HydrophobicContact CD1-CE1 4.24Å; I70-F92 HydrophobicContact CG2-CD1 3.92Å; I70-F92 HydrophobicContact CG2-CE1 3.71Å; L74-F92 HydrophobicContact CD1-CB 4.07Å; L74-F92 HydrophobicContact CD1-CD1 4.24Å; L74-F92 HydrophobicContact CD1-CG 4.22Å; L74-F92 HydrophobicContact CD2-CB 4.14Å; L74-F92 HydrophobicContact CD2-CD2 4.1Å; L74-F92 HydrophobicContact CD2-CG 4.1Å; A89-F92 PolarHBondContact O-N 3.33Å; C90-F92 VanDerWaalsContact C-N 3.28Å; C90-F92 PolarHBondContact O-N 2.9Å; F92-K94 PolarHBondContact O-N 3.43Å; F92-K94 VanDerWaalsContact O-N 3.11Å; F92-E95 VanDerWaalsContact C-OE2 3.25Å; F92-E95 VanDerWaalsContact CA-OE2 3.24Å; F92-E95 WeakPolarHBondContact CA-OE2 3.2Å; F92-E95 HydrophobicContact CD1-CB 4.38Å; F92-E95 HydrophobicContact CD1-CG 4.13Å; F92-E95 PolarHBondContact O-N 3.33Å; F92-L96 HydrophobicContact CB-CD1 4.47Å; F92-L96 HydrophobicContact CB-CG 4.44Å; F92-L96 WeakPolarHBondContact O-CB 3.34Å; F92-L96 VanDerWaalsContact O-CG 3.27Å; F92-L96 WeakPolarHBondContact O-CG 3.36Å; F92-L96 PolarHBondContact O-N 3.39Å; F92-L158 HydrophobicContact CD1-CD2 3.86Å; F92-L158 HydrophobicContact CD2-CD2 3.57Å; F92-L158 HydrophobicContact CE1-CD2 3.64Å; F92-L158 HydrophobicContact CE2-CD2 3.36Å; F92-L158 HydrophobicContact CG-CD2 3.84Å; F92-L158 HydrophobicContact CZ-CD2 3.39Å
93Y98.7Very high98Very high7 Ų727.6 Ų27.63%0.02715%0.149CC..Hα-helixtrans-58-30.5-174.272.5-83.8000113.2A13 C90 G91 M97 Y180 V184 T187 V188A13-Y93 HydrophobicContact CB-CG 4.24Å; C90-Y93 WeakPolarHBondContact O-CD1 3.43Å; G91-Y93 VanDerWaalsContact C-N 3.35Å; G91-Y93 PolarHBondContact O-N 3.22Å; Y93-M97 HydrophobicContact CD2-SD 4.25Å; Y93-M97 WeakPolarHBondContact O-CB 3.29Å; Y93-M97 WeakPolarHBondContact O-CG 3.42Å; Y93-M97 PolarHBondContact O-N 3.13Å; Y93-Y180 HydrophobicContact CE1-CE2 4.27Å; Y93-V184 HydrophobicContact CD1-CG2 4.34Å; Y93-V184 HydrophobicContact CE1-CG2 3.79Å; Y93-V184 HydrophobicContact CE2-CB 4.48Å; Y93-V184 HydrophobicContact CE2-CG1 4.35Å; Y93-V184 HydrophobicContact CE2-CG2 4.16Å; Y93-T187 HydrophobicContact CE2-CG2 4.25Å; Y93-V188 HydrophobicContact CD2-CG2 4.1Å; Y93-V188 HydrophobicContact CE2-CG2 3.98Å
94K98Very high98Very high68 Ų6830.5 Ų30.530%0.29616%0.161SC..Hα-helixtrans-72-46178.9-58.7-172-172.4-156.70111.3F92 L96 M97 N98 T187F92-K94 PolarHBondContact O-N 3.43Å; F92-K94 VanDerWaalsContact O-N 3.11Å; K94-L96 VanDerWaalsContact C-N 3.33Å; K94-M97 WeakPolarHBondContact O-CB 3.48Å; K94-M97 PolarHBondContact O-N 3.02Å; K94-N98 PolarHBondContact O-N 3.24Å; K94-T187 HydrophobicContact CD-CG2 4.01Å; K94-T187 HydrophobicContact CG-CG2 4.19Å; K94-T187 PolarHBondContact NZ-OG1 3.04Å
95E98Very high98Very high58 Ų5830.4 Ų30.427%0.27116%0.16SC..Hα-helixtrans-63.2-43.8177.1-63.982.4173.700109.8I70 L74 F92 M97 N98 I99I70-E95 HydrophobicContact CG2-CB 4.27Å; I70-E95 HydrophobicContact CG2-CG 4.05Å; L74-E95 HydrophobicContact CD1-CB 3.79Å; F92-E95 VanDerWaalsContact C-OE2 3.25Å; F92-E95 VanDerWaalsContact CA-OE2 3.24Å; F92-E95 WeakPolarHBondContact CA-OE2 3.2Å; F92-E95 HydrophobicContact CD1-CB 4.38Å; F92-E95 HydrophobicContact CD1-CG 4.13Å; F92-E95 PolarHBondContact O-N 3.33Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 3.46Å; E95-N98 WeakPolarHBondContact O-CB 3.42Å; E95-N98 PolarHBondContact O-N 3.21Å; E95-I99 WeakPolarHBondContact O-CD1 3.5Å; E95-I99 WeakPolarHBondContact O-CG1 3.24Å; E95-I99 PolarHBondContact O-N 3.31Å
96L98.5Very high98Very high0 Ų030.3 Ų30.30%016%0.16CC..Hα-helixtrans-61.7-39.4174-68.3170.4000112.4I11 L74 L78 V84 F92 K94 N98 I99 Y100I11-L96 HydrophobicContact CD1-CB 3.67Å; I11-L96 HydrophobicContact CG1-CB 4.08Å; I11-L96 HydrophobicContact CG2-CB 4.29Å; I11-L96 HydrophobicContact CG2-CD1 4.09Å; L74-L96 HydrophobicContact CB-CD2 4.29Å; L74-L96 HydrophobicContact CD1-CD2 4.13Å; L74-L96 HydrophobicContact CD1-CG 4.34Å; L74-L96 HydrophobicContact CD2-CD2 4.32Å; L74-L96 HydrophobicContact CG-CD2 4.5Å; L78-L96 HydrophobicContact CD1-CD1 4.44Å; L78-L96 HydrophobicContact CD1-CD2 3.37Å; V84-L96 HydrophobicContact CG1-CD1 3.92Å; F92-L96 HydrophobicContact CB-CD1 4.47Å; F92-L96 HydrophobicContact CB-CG 4.44Å; F92-L96 WeakPolarHBondContact O-CB 3.34Å; F92-L96 VanDerWaalsContact O-CG 3.27Å; F92-L96 WeakPolarHBondContact O-CG 3.36Å; F92-L96 PolarHBondContact O-N 3.39Å; K94-L96 VanDerWaalsContact C-N 3.33Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 3.11Å; L96-I99 PolarHBondContact O-N 3.27Å; L96-Y100 HydrophobicContact CD2-CD2 4.31Å; L96-Y100 HydrophobicContact CD2-CE2 4Å; L96-Y100 WeakPolarHBondContact O-CD2 3.35Å; L96-Y100 PolarHBondContact O-N 3.31Å
97M98.1Very high98Very high17 Ų1729.8 Ų29.88%0.08416%0.157CC..Hα-helixtrans-64-34.3175.6-81.8172.865.600113.1I11 Y93 K94 E95 Y100 P101 V105 V188 R192I11-M97 HydrophobicContact CD1-CB 4.45Å; I11-M97 HydrophobicContact CD1-CG 3.87Å; Y93-M97 HydrophobicContact CD2-SD 4.25Å; Y93-M97 WeakPolarHBondContact O-CB 3.29Å; Y93-M97 WeakPolarHBondContact O-CG 3.42Å; Y93-M97 PolarHBondContact O-N 3.13Å; K94-M97 WeakPolarHBondContact O-CB 3.48Å; K94-M97 PolarHBondContact O-N 3.02Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 3.46Å; M97-Y100 CarbonylContact O-C 3.55Å; M97-P101 WeakPolarHBondContact O-CA 3.3Å; M97-V105 HydrophobicContact CG-CG2 3.67Å; M97-V105 HydrophobicContact SD-CG2 3.72Å; M97-V188 HydrophobicContact CE-CB 4.41Å; M97-V188 HydrophobicContact CE-CG1 3.9Å; M97-V188 HydrophobicContact CE-CG2 4.31Å; M97-V188 HydrophobicContact SD-CB 4.42Å; M97-V188 HydrophobicContact SD-CG1 4.09Å; M97-V188 HydrophobicContact SD-CG2 3.73Å; M97-R192 PolarHBondContact O-NH1 3.42Å; M97-R192 PolarHBondContact O-NH2 3.16Å
98N96.7Very high98.1Very high125 Ų12529.5 Ų29.567%0.66816%0.156SC*.Hα-helixtrans-73.3-40.9176.2-69.7-17.2000111.3K94 E95 L96K94-N98 PolarHBondContact O-N 3.24Å; E95-N98 WeakPolarHBondContact O-CB 3.42Å; E95-N98 PolarHBondContact O-N 3.21Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 3.11Å
99I97.1Very high98.1Very high21 Ų2131.2 Ų31.211%0.10816%0.164CC..Hα-helixtrans-67.1-44.9178.5-66.7161.6000111.2Q71 L74 K75 E95 L96 P101Q71-I99 HydrophobicContact CB-CD1 4.13Å; Q71-I99 HydrophobicContact CB-CG1 4.17Å; Q71-I99 HydrophobicContact CG-CD1 4.02Å; Q71-I99 HydrophobicContact CG-CG1 3.83Å; L74-I99 HydrophobicContact CB-CD1 3.87Å; L74-I99 HydrophobicContact CD1-CD1 3.75Å; L74-I99 HydrophobicContact CG-CD1 4.48Å; K75-I99 HydrophobicContact CD-CG2 4.27Å; K75-I99 VanDerWaalsContact CE-CG2 3.42Å; K75-I99 HydrophobicContact CG-CG2 3.81Å; E95-I99 WeakPolarHBondContact O-CD1 3.5Å; E95-I99 WeakPolarHBondContact O-CG1 3.24Å; E95-I99 PolarHBondContact O-N 3.31Å; L96-I99 PolarHBondContact O-N 3.27Å; I99-P101 VanDerWaalsContact O-CD 3.24Å; I99-P101 WeakPolarHBondContact O-CD 3.49Å
100Y97.4Very high98.1Very high13 Ų1334.1 Ų34.15%0.05118%0.175CC..SBendtrans-115.577.6-176.6-54.5-72.4000109.4D7 L8 L96 M97 N102 A103 R192D7-Y100 HydrophobicContact CB-CD1 4.05Å; D7-Y100 HydrophobicContact CB-CE1 4.47Å; L8-Y100 HydrophobicContact CB-CD1 3.93Å; L8-Y100 HydrophobicContact CB-CD2 3.59Å; L8-Y100 HydrophobicContact CB-CE1 4.09Å; L8-Y100 HydrophobicContact CB-CE2 3.76Å; L8-Y100 HydrophobicContact CB-CG 3.67Å; L8-Y100 HydrophobicContact CD2-CD2 4.48Å; L96-Y100 HydrophobicContact CD2-CD2 4.31Å; L96-Y100 HydrophobicContact CD2-CE2 4Å; L96-Y100 WeakPolarHBondContact O-CD2 3.35Å; L96-Y100 PolarHBondContact O-N 3.31Å; M97-Y100 CarbonylContact O-C 3.55Å; Y100-N102 PolarHBondContact O-N 3.12Å; Y100-N102 VanDerWaalsContact O-N 3.07Å; Y100-A103 WeakPolarHBondContact O-CB 3.19Å; Y100-A103 PolarHBondContact O-N 3.27Å; Y100-R192 PolarHBondContact O-NH2 2.96Å
101P97Very high98Very high85 Ų8538 Ų3855%0.55220%0.196SC*.THydrogen-bonded Turntrans-62.2-21.9-171.124.1-35.1000114.3M97 I99 R192M97-P101 WeakPolarHBondContact O-CA 3.3Å; I99-P101 VanDerWaalsContact O-CD 3.24Å; I99-P101 WeakPolarHBondContact O-CD 3.49Å; P101-R192 PolarHBondContact O-NE 2.93Å; P101-R192 PolarHBondContact O-NH1 3.32Å; P101-R192 PolarHBondContact O-NH2 2.97Å
102N96.5Very high98Very high146 Ų14640.2 Ų40.278%0.78120%0.202SC*.THydrogen-bonded Turntrans-91.8-11.5179.4-60.4-38.4000113.8Y100Y100-N102 PolarHBondContact O-N 3.12Å; Y100-N102 VanDerWaalsContact O-N 3.07Å
103A98.1Very high98Very high1 Ų147 Ų471%0.00823%0.229CC..  trans-65.4136.6-177.400000110.9L8 L9 I11 Y100 R192L8-A103 WeakPolarHBondContact O-CB 3.32Å; L9-A103 CarbonylContact O-C 3.32Å; L9-A103 VanDerWaalsContact O-CA 3.29Å; L9-A103 WeakPolarHBondContact O-CA 3.41Å; I11-A103 HydrophobicContact CD1-CB 3.82Å; I11-A103 HydrophobicContact CG1-CB 3.97Å; Y100-A103 WeakPolarHBondContact O-CB 3.19Å; Y100-A103 PolarHBondContact O-N 3.27Å; A103-R192 PolarHBondContact O-NE 2.89Å; A103-R192 PolarHBondContact O-NH2 2.99Å
104K98.6Very high97.9Very high62 Ų6250.4 Ų50.427%0.2725%0.248SC..EExtended strand (participates in β ladder)trans-82.5150.4172.8-70.2179.3178.9171.20110.8L9 V10 I11 F208 L209L9-K104 PolarHBondContact O-N 3.04Å; V10-K104 CarbonylContact C-O 3.56Å; V10-K104 WeakPolarHBondContact CA-O 3.16Å; I11-K104 PolarHBondContact N-O 3.41Å; K104-F208 HydrophobicContact CB-CE1 3.58Å; K104-F208 HydrophobicContact CB-CZ 3.79Å; K104-F208 HydrophobicContact CD-CD1 4.22Å; K104-F208 HydrophobicContact CD-CE1 3.88Å; K104-F208 HydrophobicContact CD-CE2 4.39Å; K104-F208 HydrophobicContact CD-CZ 3.96Å; K104-F208 HydrophobicContact CG-CE1 4.15Å; K104-F208 HydrophobicContact CG-CZ 4.05Å; K104-F208 PolarHBondContact NZ-O 3.04Å; K104-L209 HydrophobicContact CB-CD2 4.31Å; K104-L209 HydrophobicContact CD-CD2 3.99Å
105V98.9Very high97.9Very high0 Ų047.1 Ų47.10%023%0.233CC..EExtended strand (participates in β ladder)trans-106.1133.9178.2-172.80000109.9I11 A13 M97 V188 R192 L193 L194I11-V105 HydrophobicContact CB-CG2 4.36Å; I11-V105 HydrophobicContact CD1-CG2 4.48Å; I11-V105 CarbonylContact O-C 3.59Å; I11-V105 WeakPolarHBondContact O-CA 3.11Å; A13-V105 HydrophobicContact CB-CG1 3.91Å; M97-V105 HydrophobicContact CG-CG2 3.67Å; M97-V105 HydrophobicContact SD-CG2 3.72Å; V105-V188 HydrophobicContact CB-CG1 3.93Å; V105-V188 HydrophobicContact CG1-CG1 4.43Å; V105-V188 HydrophobicContact CG1-CG2 4.23Å; V105-V188 HydrophobicContact CG2-CG1 3.84Å; V105-R192 PolarHBondContact N-O 3.02Å; V105-L193 HydrophobicContact CB-CD1 4.18Å; V105-L193 HydrophobicContact CG1-CD1 3.97Å; V105-L193 WeakPolarHBondContact O-CA 3.09Å; V105-L194 PolarHBondContact O-N 3.22Å
106I98.9Very high97.9Very high0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-121.3121.4174.9-57.4-179.8000108.5V10 I11 G12 A13 L23 T108 L194 H196 L205 F208 L209V10-I106 HydrophobicContact CG1-CD1 3.6Å; V10-I106 HydrophobicContact CG1-CG1 3.92Å; I11-I106 PolarHBondContact O-N 3.22Å; G12-I106 CarbonylContact C-O 3.51Å; G12-I106 WeakPolarHBondContact CA-O 3.43Å; A13-I106 PolarHBondContact N-O 2.83Å; L23-I106 HydrophobicContact CD1-CD1 4.22Å; L23-I106 HydrophobicContact CD2-CB 4.25Å; L23-I106 HydrophobicContact CD2-CG2 3.83Å; I106-T108 HydrophobicContact CG2-CG2 4.4Å; I106-L194 CarbonylContact C-O 3.48Å; I106-L194 WeakPolarHBondContact CA-O 3.17Å; I106-L194 HydrophobicContact CG1-CB 4.38Å; I106-H196 HydrophobicContact CG2-CB 3.93Å; I106-L205 HydrophobicContact CD1-CD1 3.36Å; I106-F208 HydrophobicContact CG1-CD1 4.46Å; I106-F208 HydrophobicContact CG1-CE1 4.15Å; I106-L209 HydrophobicContact CD1-CD2 4.47Å
107L98.9Very high97.8Very high0 Ų047.9 Ų47.90%024%0.244CC..EExtended strand (participates in β ladder)trans-103.1107.6172.6177.564.3000109.1A13 I109 V184 I185 L193 L194 H196A13-L107 HydrophobicContact CB-CD1 4.43Å; A13-L107 WeakPolarHBondContact O-CD1 3.13Å; L107-I109 HydrophobicContact CD1-CG2 4.43Å; L107-I109 HydrophobicContact CD2-CG2 4.07Å; L107-I109 HydrophobicContact CG-CG2 3.82Å; L107-V184 HydrophobicContact CB-CG1 4.19Å; L107-V184 HydrophobicContact CD1-CB 4.24Å; L107-V184 HydrophobicContact CD1-CG1 4.07Å; L107-V184 HydrophobicContact CD1-CG2 4.35Å; L107-V184 HydrophobicContact CD2-CB 4.03Å; L107-V184 HydrophobicContact CD2-CG1 3.94Å; L107-V184 HydrophobicContact CG-CG1 4.28Å; L107-I185 HydrophobicContact CD2-CD1 4.04Å; L107-I185 HydrophobicContact CD2-CG1 3.6Å; L107-L193 HydrophobicContact CB-CD1 4.04Å; L107-L194 PolarHBondContact N-O 3.07Å; L107-H196 PolarHBondContact O-N 3.48Å
108T98.8Very high97.6Very high4 Ų447.1 Ų47.13%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-82.1129172.8480000111G14 T18 L23 I106 H196G14-T108 WeakPolarHBondContact CA-OG1 3.39Å; T18-T108 VanDerWaalsContact CB-O 3.28Å; T18-T108 WeakPolarHBondContact CB-O 3.29Å; T18-T108 WeakPolarHBondContact O-CB 3.12Å; T18-T108 PolarHBondContact OG1-O 2.97Å; T18-T108 PolarHBondContact OG1-OG1 2.79Å; L23-T108 HydrophobicContact CB-CG2 4.44Å; L23-T108 HydrophobicContact CD2-CG2 3.75Å; I106-T108 HydrophobicContact CG2-CG2 4.4Å; T108-H196 VanDerWaalsContact CA-O 3.25Å; T108-H196 WeakPolarHBondContact CA-O 3.34Å; T108-H196 HydrophobicContact CG2-CB 4.29Å
109I98.3Very high97.5Very high36 Ų3641.2 Ų41.219%0.18521%0.208CC..EExtended strand (participates in β ladder)trans-131158.7-179.264.4170000112.2L107 I195 H196 K197 L198L107-I109 HydrophobicContact CD1-CG2 4.43Å; L107-I109 HydrophobicContact CD2-CG2 4.07Å; L107-I109 HydrophobicContact CG-CG2 3.82Å; I109-I195 HydrophobicContact CD1-CG2 3.39Å; I109-I195 HydrophobicContact CG1-CG2 3.81Å; I109-H196 PolarHBondContact N-O 3.15Å; I109-H196 VanDerWaalsContact N-O 3.08Å; I109-K197 HydrophobicContact CD1-CG 3.94Å; I109-K197 HydrophobicContact CG1-CB 4.47Å; I109-K197 HydrophobicContact CG1-CG 3.8Å; I109-K197 WeakPolarHBondContact O-CA 3.14Å; I109-L198 PolarHBondContact O-N 2.93Å
110R97.7Very high97.3Very high62 Ų6241.2 Ų41.223%0.23421%0.207CC..  trans-152.4174174.364.9-179.6-61.7155.410.2109.8R17 T18 K112 W115 L198R17-R110 WeakPolarHBondContact O-CD 3.4Å; R17-R110 PolarHBondContact O-NH1 2.89Å; R17-R110 VanDerWaalsContact O-NH1 3.08Å; T18-R110 HydrophobicContact CG2-CG 4.47Å; R110-K112 PolarHBondContact O-N 2.71Å; R110-W115 HydrophobicContact CG-CB 3.81Å; R110-L198 HydrophobicContact CB-CB 4.19Å
111D97.9Very high97Very high83 Ų8345.1 Ų45.144%0.44423%0.226SC..  trans-53.8135.5169.4173.6-91.6000110.7Y113 D114 W115D111-Y113 WeakPolarHBondContact OD1-CA 3.33Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.41Å; D111-Y113 PolarHBondContact OD1-N 3.45Å; D111-D114 HydrophobicContact CB-CB 4.04Å; D111-D114 CarbonylContact O-C 3.57Å; D111-D114 WeakPolarHBondContact O-CB 3.48Å; D111-D114 PolarHBondContact O-N 3.01Å; D111-D114 PolarHBondContact OD1-N 2.79Å; D111-W115 WeakPolarHBondContact O-CB 3.48Å; D111-W115 PolarHBondContact O-N 2.82Å
112K98.1Very high96.5Very high57 Ų5743.5 Ų43.525%0.24822%0.215CC..Hα-helixtrans-71.2-32.2-171.965.2177.7-178.21770113.6R110 W115 L116 L174 F177 D178R110-K112 PolarHBondContact O-N 2.71Å; K112-W115 WeakPolarHBondContact O-CB 3.22Å; K112-W115 PolarHBondContact O-N 2.91Å; K112-L116 WeakPolarHBondContact O-CB 3.31Å; K112-L116 PolarHBondContact O-N 3.1Å; K112-L174 HydrophobicContact CB-CD2 3.84Å; K112-L174 HydrophobicContact CD-CD2 4.13Å; K112-L174 HydrophobicContact CG-CD2 3.88Å; K112-L174 VanDerWaalsContact O-CD2 3.22Å; K112-L174 WeakPolarHBondContact O-CD2 3.22Å; K112-F177 HydrophobicContact CB-CD1 3.71Å; K112-F177 HydrophobicContact CB-CE1 3.85Å; K112-D178 WeakPolarHBondContact CD-OD1 3.37Å; K112-D178 VanDerWaalsContact CD-OD2 3.27Å; K112-D178 WeakPolarHBondContact CD-OD2 3.43Å; K112-D178 IonicContact NZ-OD2 3.39Å; K112-D178 PolarHBondContact NZ-OD2 2.9Å
113Y98.1Very high96.1Very high141 Ų14140.2 Ų40.255%0.55320%0.196SC*.Hα-helixtrans-73.3-37.5176.9-61.5-76.4000110.2D111 W115 L116 S117 L174D111-Y113 WeakPolarHBondContact OD1-CA 3.33Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.41Å; D111-Y113 PolarHBondContact OD1-N 3.45Å; Y113-W115 VanDerWaalsContact C-N 3.34Å; Y113-L116 PolarHBondContact O-N 3.42Å; Y113-S117 VanDerWaalsContact O-CB 3.29Å; Y113-S117 WeakPolarHBondContact O-CB 3.49Å; Y113-S117 PolarHBondContact O-N 3.37Å; Y113-L174 HydrophobicContact CD1-CD1 3.96Å; Y113-L174 HydrophobicContact CD1-CD2 4.32Å; Y113-L174 HydrophobicContact CE1-CD1 3.67Å
114D97.1Very high95.5Very high79 Ų7941.2 Ų41.242%0.42220%0.201SC..Hα-helixtrans-66.8-33.1168.1-79.6-16.3000112.8D111 S118 R225D111-D114 HydrophobicContact CB-CB 4.04Å; D111-D114 CarbonylContact O-C 3.57Å; D111-D114 WeakPolarHBondContact O-CB 3.48Å; D111-D114 PolarHBondContact O-N 3.01Å; D111-D114 PolarHBondContact OD1-N 2.79Å; D114-S118 WeakPolarHBondContact O-CB 3.48Å; D114-S118 PolarHBondContact O-N 2.96Å; D114-R225 PolarHBondContact O-NH2 3.14Å
115W97.6Very high95.1Very high0 Ų038.9 Ų38.90%019%0.192CC..Hα-helixtrans-64.8-53.6171.516780.7000110P16 R110 D111 K112 Y113 S117 S118 F119 F160 M173 F177P16-W115 PolarHBondContact O-NE1 3.3Å; R110-W115 HydrophobicContact CG-CB 3.81Å; D111-W115 WeakPolarHBondContact O-CB 3.48Å; D111-W115 PolarHBondContact O-N 2.82Å; K112-W115 WeakPolarHBondContact O-CB 3.22Å; K112-W115 PolarHBondContact O-N 2.91Å; Y113-W115 VanDerWaalsContact C-N 3.34Å; W115-S117 PolarHBondContact O-N 3.11Å; W115-S118 CarbonylContact O-C 3.52Å; W115-S118 WeakPolarHBondContact O-CB 3.46Å; W115-S118 PolarHBondContact O-N 3.08Å; W115-F119 HydrophobicContact CZ2-CB 4.36Å; W115-F119 HydrophobicContact CZ2-CD1 4.5Å; W115-F119 AromaticContact CZ2-CD2 3.92Å; W115-F119 HydrophobicContact CZ2-CD2 3.92Å; W115-F119 HydrophobicContact CZ2-CE2 4.32Å; W115-F119 HydrophobicContact CZ2-CG 4.01Å; W115-F119 WeakPolarHBondContact O-CB 3.43Å; W115-F119 PolarHBondContact O-N 2.72Å; W115-F160 HydrophobicContact CH2-CZ 4.46Å; W115-M173 HydrophobicContact CH2-CB 4.31Å; W115-M173 HydrophobicContact CH2-CE 4.16Å; W115-M173 HydrophobicContact CZ3-CB 4.33Å; W115-M173 WeakPolarHBondContact CZ3-O 3.32Å; W115-F177 HydrophobicContact CB-CD2 4.4Å; W115-F177 HydrophobicContact CB-CE1 4.39Å; W115-F177 HydrophobicContact CB-CE2 3.94Å; W115-F177 HydrophobicContact CB-CZ 3.92Å; W115-F177 AromaticContact CD1-CD2 3.85Å; W115-F177 AromaticContact CD1-CE2 3.46Å; W115-F177 VanDerWaalsContact CD1-CE2 3.46Å; W115-F177 HydrophobicContact CD2-CB 4.27Å; W115-F177 AromaticContact CD2-CD2 3.28Å; W115-F177 HydrophobicContact CD2-CD2 3.28Å; W115-F177 AromaticContact CD2-CE2 3.64Å; W115-F177 HydrophobicContact CD2-CE2 3.64Å; W115-F177 AromaticContact CD2-CG 3.79Å; W115-F177 HydrophobicContact CD2-CG 3.79Å; W115-F177 HydrophobicContact CD2-CZ 4.38Å; W115-F177 AromaticContact CE2-CD2 3.4Å; W115-F177 AromaticContact CE2-CE2 3.88Å; W115-F177 HydrophobicContact CE3-CB 3.78Å; W115-F177 HydrophobicContact CE3-CD1 4.34Å; W115-F177 AromaticContact CE3-CD2 3.68Å; W115-F177 HydrophobicContact CE3-CD2 3.68Å; W115-F177 HydrophobicContact CE3-CE2 4.36Å; W115-F177 AromaticContact CE3-CG 3.67Å; W115-F177 HydrophobicContact CE3-CG 3.67Å; W115-F177 AromaticContact CG-CD2 3.6Å; W115-F177 HydrophobicContact CG-CD2 3.6Å; W115-F177 AromaticContact CG-CE2 3.38Å; W115-F177 HydrophobicContact CG-CE2 3.38Å; W115-F177 HydrophobicContact CG-CG 4.3Å; W115-F177 AromaticContact CG-CZ 3.89Å; W115-F177 HydrophobicContact CG-CZ 3.89Å; W115-F177 HydrophobicContact CH2-CB 3.88Å; W115-F177 HydrophobicContact CH2-CD2 4.24Å; W115-F177 HydrophobicContact CH2-CG 4.41Å; W115-F177 HydrophobicContact CZ2-CB 4.36Å; W115-F177 AromaticContact CZ2-CD2 3.89Å; W115-F177 HydrophobicContact CZ2-CD2 3.89Å; W115-F177 HydrophobicContact CZ3-CB 3.58Å; W115-F177 HydrophobicContact CZ3-CD2 4.15Å; W115-F177 HydrophobicContact CZ3-CG 4.01Å; W115-F177 AromaticContact NE1-CD2 3.72Å; W115-F177 AromaticContact NE1-CE2 3.74Å
116L97.3Very high94.8Very high15 Ų1541.8 Ų41.88%0.07921%0.205CC..Hα-helixtrans-58.5-48.7-176.5177.568.8000111.3K112 Y113 S118 F119 R120 D170 M173 L174K112-L116 WeakPolarHBondContact O-CB 3.31Å; K112-L116 PolarHBondContact O-N 3.1Å; Y113-L116 PolarHBondContact O-N 3.42Å; L116-S118 PolarHBondContact O-N 2.6Å; L116-F119 WeakPolarHBondContact O-CB 3.45Å; L116-F119 PolarHBondContact O-N 2.77Å; L116-R120 HydrophobicContact CD1-CG 4.28Å; L116-R120 HydrophobicContact CG-CG 4.44Å; L116-R120 WeakPolarHBondContact O-CG 3.31Å; L116-R120 PolarHBondContact O-N 3.46Å; L116-D170 HydrophobicContact CD2-CB 3.62Å; L116-M173 HydrophobicContact CD1-CB 3.9Å; L116-L174 HydrophobicContact CB-CD2 3.82Å; L116-L174 HydrophobicContact CB-CG 4.43Å; L116-L174 HydrophobicContact CD2-CD1 3.96Å; L116-L174 HydrophobicContact CD2-CD2 4.08Å; L116-L174 HydrophobicContact CD2-CG 3.87Å; L116-L174 HydrophobicContact CG-CD2 4.49Å
117S95.7Very high94.3Very high58 Ų5845.9 Ų45.941%0.40623%0.234SC..Hα-helixtrans-59.4-36.9178.71750000111.7Y113 W115 Q121 R225Y113-S117 VanDerWaalsContact O-CB 3.29Å; Y113-S117 WeakPolarHBondContact O-CB 3.49Å; Y113-S117 PolarHBondContact O-N 3.37Å; W115-S117 PolarHBondContact O-N 3.11Å; S117-Q121 PolarHBondContact O-N 3.17Å; S117-R225 PolarHBondContact OG-NH1 3.37Å
118S95.2Very high93.8Very high1 Ų152.4 Ų52.41%0.00727%0.269CS..Hα-helixtrans-73.1-35.1174.2-167.30000113R17 D114 W115 L116 T122 R225R17-S118 PolarHBondContact NE-OG 2.95Å; R17-S118 PolarHBondContact NH2-OG 3.3Å; D114-S118 WeakPolarHBondContact O-CB 3.48Å; D114-S118 PolarHBondContact O-N 2.96Å; W115-S118 CarbonylContact O-C 3.52Å; W115-S118 WeakPolarHBondContact O-CB 3.46Å; W115-S118 PolarHBondContact O-N 3.08Å; L116-S118 PolarHBondContact O-N 2.6Å; S118-T122 PolarHBondContact O-N 3.31Å; S118-T122 PolarHBondContact O-OG1 3.39Å; S118-R225 VanDerWaalsContact CB-NE 3.28Å; S118-R225 VanDerWaalsContact N-NH2 3.15Å
119F94.4Very high93.3Very high1 Ų155 Ų550%0.00428%0.282CS..Hα-helixtrans-65.2-45.5-179.8-172.2-98000110.9P16 R17 W115 L116 T122 L123 M124 M156 M173P16-F119 HydrophobicContact CG-CD2 4.44Å; P16-F119 HydrophobicContact CG-CE2 3.99Å; R17-F119 HydrophobicContact CG-CB 4.34Å; R17-F119 HydrophobicContact CG-CD2 4.19Å; W115-F119 HydrophobicContact CZ2-CB 4.36Å; W115-F119 HydrophobicContact CZ2-CD1 4.5Å; W115-F119 AromaticContact CZ2-CD2 3.92Å; W115-F119 HydrophobicContact CZ2-CD2 3.92Å; W115-F119 HydrophobicContact CZ2-CE2 4.32Å; W115-F119 HydrophobicContact CZ2-CG 4.01Å; W115-F119 WeakPolarHBondContact O-CB 3.43Å; W115-F119 PolarHBondContact O-N 2.72Å; L116-F119 WeakPolarHBondContact O-CB 3.45Å; L116-F119 PolarHBondContact O-N 2.77Å; F119-T122 PolarHBondContact O-N 2.97Å; F119-L123 HydrophobicContact CD2-CB 4.43Å; F119-L123 HydrophobicContact CD2-CD1 3.95Å; F119-L123 HydrophobicContact CE2-CB 4.37Å; F119-L123 HydrophobicContact CE2-CD1 3.99Å; F119-L123 PolarHBondContact O-N 3.33Å; F119-M124 HydrophobicContact CD1-CB 4.12Å; F119-M124 HydrophobicContact CE1-CB 3.54Å; F119-M124 HydrophobicContact CE1-CG 3.88Å; F119-M124 HydrophobicContact CE1-SD 3.65Å; F119-M124 HydrophobicContact CE2-SD 4.49Å; F119-M124 HydrophobicContact CZ-CB 4.06Å; F119-M124 HydrophobicContact CZ-CG 3.86Å; F119-M124 HydrophobicContact CZ-SD 3.37Å; F119-M124 WeakPolarHBondContact CZ-SD 3.25Å; F119-M124 PolarHBondContact O-N 3.24Å; F119-M124 VanDerWaalsContact O-N 3.09Å; F119-M156 HydrophobicContact CE2-CE 3.97Å; F119-M156 HydrophobicContact CE2-SD 4.38Å; F119-M156 HydrophobicContact CZ-CE 3.88Å; F119-M156 HydrophobicContact CZ-SD 4.46Å; F119-M173 HydrophobicContact CD1-CE 4.2Å; F119-M173 HydrophobicContact CE1-CE 3.51Å; F119-M173 HydrophobicContact CZ-CE 4.02Å
120R93.9Very high92.6Very high22 Ų2258.4 Ų58.48%0.08331%0.306CS..Hα-helixtrans-60.1-45.6173.7-65.8-53.8-173.6-167.4-2.6113L116 T122 M124 P125 I167 D170L116-R120 HydrophobicContact CD1-CG 4.28Å; L116-R120 HydrophobicContact CG-CG 4.44Å; L116-R120 WeakPolarHBondContact O-CG 3.31Å; L116-R120 PolarHBondContact O-N 3.46Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 3.31Å; R120-M124 WeakPolarHBondContact CD-O 3.27Å; R120-M124 PolarHBondContact NH1-O 3.27Å; R120-M124 VanDerWaalsContact NH1-O 3.08Å; R120-P125 VanDerWaalsContact O-CA 3.24Å; R120-P125 WeakPolarHBondContact O-CA 3.25Å; R120-I167 PolarHBondContact NH1-O 2.93Å; R120-I167 PolarHBondContact NH2-O 2.82Å; R120-D170 IonicContact CZ-OD1 3.25Å; R120-D170 VanDerWaalsContact CZ-OD1 3.25Å; R120-D170 IonicContact NE-OD1 2.89Å; R120-D170 PolarHBondContact NE-OD1 2.75Å; R120-D170 IonicContact NH2-OD1 2.74Å; R120-D170 PolarHBondContact NH2-OD1 2.95Å
121Q90.1Very high91.9Very high94 Ų9457.3 Ų57.344%0.43931%0.308SS..Hα-helixtrans-68.4-30.3-175.9-168.6-173.92100113.4S117S117-Q121 PolarHBondContact O-N 3.17Å
122T86.3Confident91.1Very high52 Ų5255.1 Ų55.132%0.31930%0.297SS..Hα-helixtrans-114.9-31.4-167-49.60000114.9S118 F119 R120S118-T122 PolarHBondContact O-N 3.31Å; S118-T122 PolarHBondContact O-OG1 3.39Å; F119-T122 PolarHBondContact O-N 2.97Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 3.31Å
123L87.6Confident90Very high76 Ų7661.5 Ų61.540%0.39832%0.319SS..THydrogen-bonded Turntrans-121.7-47.2-168.6-62.1177.8000113.1P16 R17 F119P16-L123 HydrophobicContact CB-CD1 3.43Å; P16-L123 VanDerWaalsContact CB-CD1 3.43Å; P16-L123 HydrophobicContact CG-CD1 4.08Å; R17-L123 HydrophobicContact CG-CD1 3.71Å; R17-L123 HydrophobicContact CG-CG 4.34Å; F119-L123 HydrophobicContact CD2-CB 4.43Å; F119-L123 HydrophobicContact CD2-CD1 3.95Å; F119-L123 HydrophobicContact CE2-CB 4.37Å; F119-L123 HydrophobicContact CE2-CD1 3.99Å; F119-L123 PolarHBondContact O-N 3.33Å
124M86.9Confident89.1Confident23 Ų2359.2 Ų59.211%0.11332%0.32CS..  trans-140.475.4-172-67.9-174.1169.900109.6F119 R120 I153 M156 I167F119-M124 HydrophobicContact CD1-CB 4.12Å; F119-M124 HydrophobicContact CE1-CB 3.54Å; F119-M124 HydrophobicContact CE1-CG 3.88Å; F119-M124 HydrophobicContact CE1-SD 3.65Å; F119-M124 HydrophobicContact CE2-SD 4.49Å; F119-M124 HydrophobicContact CZ-CB 4.06Å; F119-M124 HydrophobicContact CZ-CG 3.86Å; F119-M124 HydrophobicContact CZ-SD 3.37Å; F119-M124 WeakPolarHBondContact CZ-SD 3.25Å; F119-M124 PolarHBondContact O-N 3.24Å; F119-M124 VanDerWaalsContact O-N 3.09Å; R120-M124 WeakPolarHBondContact CD-O 3.27Å; R120-M124 PolarHBondContact NH1-O 3.27Å; R120-M124 VanDerWaalsContact NH1-O 3.08Å; M124-I153 HydrophobicContact CE-CG1 4.14Å; M124-M156 HydrophobicContact CE-CG 3.88Å; M124-M156 HydrophobicContact SD-CG 4.44Å; M124-I167 HydrophobicContact CB-CD1 3.96Å; M124-I167 HydrophobicContact CB-CG1 4.34Å; M124-I167 HydrophobicContact CE-CD1 4.27Å; M124-I167 HydrophobicContact CG-CD1 3.89Å; M124-I167 HydrophobicContact SD-CD1 3.33Å; M124-I167 WeakPolarHBondContact SD-CD1 3.47Å; M124-I167 HydrophobicContact SD-CG1 4.11Å
125P89.8Confident88.3Confident12 Ų1257.3 Ų57.38%0.07831%0.309CS..  trans-58.3159.6171.4-10.824.7000109.5R120 D129 N132 I135R120-P125 VanDerWaalsContact O-CA 3.24Å; R120-P125 WeakPolarHBondContact O-CA 3.25Å; P125-D129 HydrophobicContact CB-CB 3.72Å; P125-N132 VanDerWaalsContact CB-OD1 3.28Å; P125-N132 WeakPolarHBondContact CB-OD1 3.33Å; P125-N132 WeakPolarHBondContact CD-OD1 3.45Å; P125-N132 WeakPolarHBondContact CG-OD1 3.22Å; P125-I135 HydrophobicContact CG-CD1 3.33Å
126K91.5Very high87.6Confident62 Ų6261.8 Ų61.827%0.2733%0.333SS..  trans-64.5151.9173-69.1-168.1177.7-173.40110N128 D129 N132 D168 D170K126-N128 WeakPolarHBondContact CB-OD1 3.37Å; K126-N128 PolarHBondContact O-N 2.96Å; K126-D129 WeakPolarHBondContact O-CB 3.39Å; K126-D129 PolarHBondContact O-N 3.06Å; K126-N132 PolarHBondContact O-ND2 3.46Å; K126-D168 WeakPolarHBondContact CA-OD1 3.32Å; K126-D168 WeakPolarHBondContact CE-O 3.19Å; K126-D168 PolarHBondContact NZ-O 3.15Å; K126-D170 VanDerWaalsContact CE-CG 3.41Å; K126-D170 WeakPolarHBondContact CE-OD1 3.3Å; K126-D170 WeakPolarHBondContact CE-OD2 3.4Å; K126-D170 VanDerWaalsContact NZ-CG 3.32Å; K126-D170 IonicContact NZ-OD1 3.61Å; K126-D170 IonicContact NZ-OD2 2.71Å; K126-D170 PolarHBondContact NZ-OD2 3.36Å
127S89.2Confident86.9Confident86 Ų8666.6 Ų66.660%0.60136%0.355SS*.THydrogen-bonded Turntrans-56.1-27.4-178.4-540000113.5N132 D168S127-N132 PolarHBondContact O-ND2 3.26Å; S127-D168 WeakPolarHBondContact CB-OD2 3.46Å; S127-D168 PolarHBondContact N-OD1 2.96Å; S127-D168 PolarHBondContact N-OD2 2.94Å; S127-D168 PolarHBondContact OG-OD1 3.37Å; S127-D168 PolarHBondContact OG-OD2 3.07Å
128N89.1Confident86.3Confident137 Ų13765.9 Ų65.973%0.73335%0.353SS*.THydrogen-bonded Turntrans-92.42.7177.168.8-15.4000114.6K126K126-N128 WeakPolarHBondContact CB-OD1 3.37Å; K126-N128 PolarHBondContact O-N 2.96Å
129D87.6Confident85.9Confident58 Ų5867.1 Ų67.131%0.3136%0.359SS..  trans-77.1126.5-179.1-164.7-50.1000110.8P125 K126 S131 N132P125-D129 HydrophobicContact CB-CB 3.72Å; K126-D129 WeakPolarHBondContact O-CB 3.39Å; K126-D129 PolarHBondContact O-N 3.06Å; D129-S131 PolarHBondContact O-N 3.05Å; D129-S131 VanDerWaalsContact O-N 3.16Å; D129-S131 VanDerWaalsContact OD1-CB 3.28Å; D129-S131 WeakPolarHBondContact OD1-CB 3.43Å; D129-S131 PolarHBondContact OD1-N 3.22Å; D129-S131 PolarHBondContact OD1-OG 3.38Å; D129-N132 PolarHBondContact O-N 2.84Å; D129-N132 PolarHBondContact O-ND2 3.38Å; D129-N132 VanDerWaalsContact O-ND2 3.14Å
130P84Confident85.5Confident107 Ų10774.4 Ų74.470%0.69539%0.393SS*.THydrogen-bonded Turntrans-58.7-25.1177.6-24.534.2000114.6N132 R133P130-N132 PolarHBondContact O-N 3.12Å; P130-R133 PolarHBondContact O-N 3.35Å
131S83.3Confident85.3Confident39 Ų3979.9 Ų79.927%0.27342%0.423SS..THydrogen-bonded Turntrans-65.9-17.6179.961.10000114D129 R133 T134 I135D129-S131 PolarHBondContact O-N 3.05Å; D129-S131 VanDerWaalsContact O-N 3.16Å; D129-S131 VanDerWaalsContact OD1-CB 3.28Å; D129-S131 WeakPolarHBondContact OD1-CB 3.43Å; D129-S131 PolarHBondContact OD1-N 3.22Å; D129-S131 PolarHBondContact OD1-OG 3.38Å; S131-R133 PolarHBondContact O-N 3.01Å; S131-T134 PolarHBondContact O-N 2.87Å; S131-I135 PolarHBondContact O-N 3.13Å
132N79.8Confident85.3Confident37 Ų3779.3 Ų79.320%0.19842%0.422CS..Hα-helixtrans-52.5-38.4173.9-76.6-39.3000112.1P125 K126 S127 D129 P130 T134 I135 D136P125-N132 VanDerWaalsContact CB-OD1 3.28Å; P125-N132 WeakPolarHBondContact CB-OD1 3.33Å; P125-N132 WeakPolarHBondContact CD-OD1 3.45Å; P125-N132 WeakPolarHBondContact CG-OD1 3.22Å; K126-N132 PolarHBondContact O-ND2 3.46Å; S127-N132 PolarHBondContact O-ND2 3.26Å; D129-N132 PolarHBondContact O-N 2.84Å; D129-N132 PolarHBondContact O-ND2 3.38Å; D129-N132 VanDerWaalsContact O-ND2 3.14Å; P130-N132 PolarHBondContact O-N 3.12Å; N132-T134 VanDerWaalsContact C-N 3.3Å; N132-T134 PolarHBondContact O-N 3.07Å; N132-I135 PolarHBondContact O-N 3.27Å; N132-I135 VanDerWaalsContact O-N 3.14Å; N132-D136 VanDerWaalsContact O-CG 3.29Å; N132-D136 PolarHBondContact O-N 3.46Å
133R76.2Confident85.5Confident192 Ų19285 Ų8573%0.72544%0.443SS*.Hα-helixtrans-60.7-39.9178.8-64.1-177.3-174176.60.2112.4P130 S131 I135 E137P130-R133 PolarHBondContact O-N 3.35Å; S131-R133 PolarHBondContact O-N 3.01Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-E137 WeakPolarHBondContact O-CB 3.5Å; R133-E137 VanDerWaalsContact O-CG 3.24Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.11Å
134T78.2Confident85.6Confident92 Ų9282 Ų8256%0.56443%0.427SS*.Hα-helixtrans-71.6-31.5179.2-53.90000111.8S131 N132 A138S131-T134 PolarHBondContact O-N 2.87Å; N132-T134 VanDerWaalsContact C-N 3.3Å; N132-T134 PolarHBondContact O-N 3.07Å; T134-A138 WeakPolarHBondContact O-CB 3.49Å; T134-A138 PolarHBondContact O-N 3.37Å; T134-A138 VanDerWaalsContact O-N 3.11Å
135I81.3Confident85.7Confident40 Ų4082.5 Ų82.521%0.20544%0.438CS..Hα-helixtrans-70.3-46.6174.3-63.5-175.3000110.1P125 S131 N132 R133 E137 A138 D139P125-I135 HydrophobicContact CG-CD1 3.33Å; S131-I135 PolarHBondContact O-N 3.13Å; N132-I135 PolarHBondContact O-N 3.27Å; N132-I135 VanDerWaalsContact O-N 3.14Å; R133-I135 VanDerWaalsContact C-N 3.34Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-E137 PolarHBondContact O-N 3.09Å; I135-A138 WeakPolarHBondContact O-CB 3.47Å; I135-A138 PolarHBondContact O-N 2.73Å; I135-A138 VanDerWaalsContact O-N 3.08Å; I135-D139 PolarHBondContact O-N 3.08Å
136D81.9Confident85.9Confident94 Ų9487.3 Ų87.350%0.50347%0.47SS..Hα-helixtrans-58.2-43.2177.4-66.6-23.9000111.5N132 A138 D139 E140N132-D136 VanDerWaalsContact O-CG 3.29Å; N132-D136 PolarHBondContact O-N 3.46Å; D136-A138 PolarHBondContact O-N 3.29Å; D136-D139 PolarHBondContact O-N 3.45Å; D136-E140 PolarHBondContact O-N 2.89Å
137E82.4Confident86.1Confident116 Ų11690.2 Ų90.254%0.54248%0.482SS..Hα-helixtrans-62-41.6174.9-75.6169.9-179.800112.2R133 I135 E140 I141R133-E137 WeakPolarHBondContact O-CB 3.5Å; R133-E137 VanDerWaalsContact O-CG 3.24Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.11Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-E137 PolarHBondContact O-N 3.09Å; E137-E140 PolarHBondContact O-N 2.87Å; E137-I141 WeakPolarHBondContact O-CD1 3.31Å; E137-I141 VanDerWaalsContact O-CG1 3.28Å; E137-I141 WeakPolarHBondContact O-CG1 3.39Å; E137-I141 PolarHBondContact O-N 3.06Å
138A84.3Confident86.4Confident42 Ų4287.1 Ų87.135%0.34746%0.458SS..Hα-helixtrans-66.9-41.6177.800000111.7T134 I135 D136 E140 I141 L142T134-A138 WeakPolarHBondContact O-CB 3.49Å; T134-A138 PolarHBondContact O-N 3.37Å; T134-A138 VanDerWaalsContact O-N 3.11Å; I135-A138 WeakPolarHBondContact O-CB 3.47Å; I135-A138 PolarHBondContact O-N 2.73Å; I135-A138 VanDerWaalsContact O-N 3.08Å; D136-A138 PolarHBondContact O-N 3.29Å; A138-E140 VanDerWaalsContact C-N 3.33Å; A138-I141 PolarHBondContact O-N 3.46Å; A138-L142 WeakPolarHBondContact O-CB 3.49Å; A138-L142 VanDerWaalsContact O-CG 3.3Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 2.87Å
139D86.4Confident86.5Confident27 Ų2784 Ų8414%0.14444%0.44CS..Hα-helixtrans-62.5-41.7175.9-80.2-2.4000110.7I135 D136 I141 L142 K143 L144I135-D139 PolarHBondContact O-N 3.08Å; D136-D139 PolarHBondContact O-N 3.45Å; D139-I141 PolarHBondContact O-N 3.39Å; D139-L142 CarbonylContact O-C 3.44Å; D139-L142 PolarHBondContact O-N 2.88Å; D139-K143 PolarHBondContact O-N 2.77Å; D139-L144 HydrophobicContact CB-CB 4.01Å; D139-L144 PolarHBondContact O-N 3.44Å
140E86.6Confident86.9Confident154 Ų15485.6 Ų85.672%0.7245%0.445SS*.Hα-helixtrans-61.3-45.8174.7-170.4178-177.500111.8D136 E137 A138 L142 K143D136-E140 PolarHBondContact O-N 2.89Å; E137-E140 PolarHBondContact O-N 2.87Å; A138-E140 VanDerWaalsContact C-N 3.33Å; E140-L142 VanDerWaalsContact C-N 3.28Å; E140-L142 PolarHBondContact O-N 3.39Å; E140-K143 PolarHBondContact O-N 3.02Å
141I89.9Confident87.5Confident138 Ų13880.5 Ų80.571%0.70841%0.411SS*.Hα-helixtrans-59.9-40.4176.3-71.3164.2000111.2E137 A138 D139 K143E137-I141 WeakPolarHBondContact O-CD1 3.31Å; E137-I141 VanDerWaalsContact O-CG1 3.28Å; E137-I141 WeakPolarHBondContact O-CG1 3.39Å; E137-I141 PolarHBondContact O-N 3.06Å; A138-I141 PolarHBondContact O-N 3.46Å; D139-I141 PolarHBondContact O-N 3.39Å; I141-K143 PolarHBondContact O-N 2.84Å
142L89.1Confident88.1Confident81 Ų8179.5 Ų79.542%0.42441%0.406SS..THydrogen-bonded Turntrans-81.4-0.4178.6-67170.9000113.2I42 Q46 A138 D139 E140 L144I42-L142 HydrophobicContact CG2-CD1 4.06Å; Q46-L142 PolarHBondContact NE2-O 2.88Å; A138-L142 WeakPolarHBondContact O-CB 3.49Å; A138-L142 VanDerWaalsContact O-CG 3.3Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 2.87Å; D139-L142 CarbonylContact O-C 3.44Å; D139-L142 PolarHBondContact O-N 2.88Å; E140-L142 VanDerWaalsContact C-N 3.28Å; E140-L142 PolarHBondContact O-N 3.39Å; L142-L144 HydrophobicContact CB-CD1 3.9Å; L142-L144 HydrophobicContact CB-CG 3.78Å; L142-L144 HydrophobicContact CD1-CD1 4.13Å; L142-L144 PolarHBondContact O-N 3.28Å
143K90.8Very high88.8Confident172 Ų17280.3 Ų80.375%0.74841%0.41SS*.THydrogen-bonded Turntrans58.431.2-176.2-54.7178.4-179.9177.40113.3D139 E140 I141 G145D139-K143 PolarHBondContact O-N 2.77Å; E140-K143 PolarHBondContact O-N 3.02Å; I141-K143 PolarHBondContact O-N 2.84Å; K143-G145 PolarHBondContact O-N 3.32Å
144L89Confident89.7Confident12 Ų1271.6 Ų71.66%0.06338%0.377CS..  trans-84.3107175-57.9177.7000108.5I42 D139 L142 F148I42-L144 HydrophobicContact CD1-CD1 4.5Å; I42-L144 HydrophobicContact CG1-CD1 4.07Å; I42-L144 HydrophobicContact CG1-CD2 4.44Å; I42-L144 HydrophobicContact CG2-CD1 4.13Å; D139-L144 HydrophobicContact CB-CB 4.01Å; D139-L144 PolarHBondContact O-N 3.44Å; L142-L144 HydrophobicContact CB-CD1 3.9Å; L142-L144 HydrophobicContact CB-CG 3.78Å; L142-L144 HydrophobicContact CD1-CD1 4.13Å; L142-L144 PolarHBondContact O-N 3.28Å; L144-F148 HydrophobicContact CB-CB 4.16Å; L144-F148 HydrophobicContact CB-CD1 3.84Å; L144-F148 HydrophobicContact CB-CE1 4.46Å; L144-F148 HydrophobicContact CB-CG 4.01Å; L144-F148 HydrophobicContact CD1-CD1 4.05Å; L144-F148 HydrophobicContact CD1-CE1 3.84Å; L144-F148 HydrophobicContact CD1-CE2 4.46Å; L144-F148 HydrophobicContact CD1-CG 4.46Å; L144-F148 HydrophobicContact CD1-CZ 4.07Å; L144-F148 HydrophobicContact CD2-CD2 4.08Å; L144-F148 HydrophobicContact CD2-CE2 4.42Å; L144-F148 HydrophobicContact CD2-CG 4.13Å; L144-F148 HydrophobicContact CG-CD1 4.34Å; L144-F148 HydrophobicContact CG-CG 4.41Å
145G90.6Very high90.7Very high34 Ų3467.2 Ų67.235%0.35135%0.35SS..  trans-91.9-175.5-177.600000114.1K143 K147 F148K143-G145 PolarHBondContact O-N 3.32Å; G145-K147 PolarHBondContact O-N 3.09Å; G145-F148 VanDerWaalsContact O-CB 3.29Å; G145-F148 WeakPolarHBondContact O-CB 3.48Å; G145-F148 PolarHBondContact O-N 2.9Å
146P92.1Very high91.4Very high114 Ų11465.5 Ų65.574%0.7434%0.341SS*.Hα-helixtrans-54.7-28.8-179.9-27.534.7000114.9F148 I149 K150P146-F148 VanDerWaalsContact C-N 3.33Å; P146-I149 PolarHBondContact O-N 3.29Å; P146-K150 PolarHBondContact O-N 3Å
147K95.7Very high92.1Very high123 Ų12363.3 Ų63.354%0.53533%0.328SS..Hα-helixtrans-63.2-37.6174.3-70.7-177.8164.7-160.30112.7I49 D50 G145 M151I49-K147 HydrophobicContact CG2-CB 4.03Å; D50-K147 VanDerWaalsContact CG-NZ 3.31Å; D50-K147 WeakPolarHBondContact OD1-CD 3.22Å; D50-K147 WeakPolarHBondContact OD1-CE 3.22Å; D50-K147 IonicContact OD1-NZ 2.81Å; D50-K147 PolarHBondContact OD1-NZ 3.35Å; D50-K147 IonicContact OD2-NZ 2.75Å; D50-K147 PolarHBondContact OD2-NZ 3.43Å; G145-K147 PolarHBondContact O-N 3.09Å; K147-M151 WeakPolarHBondContact O-CB 3.39Å; K147-M151 PolarHBondContact O-N 3.48Å
148F95.6Very high92.8Very high20 Ų2058.9 Ų58.99%0.08831%0.308CS..Hα-helixtrans-64.1-47.3176.1173.6-103.4000110.6M38 I42 I49 L144 G145 P146 K150 M151 A152M38-F148 HydrophobicContact SD-CE2 3.63Å; M38-F148 HydrophobicContact SD-CZ 4.02Å; I42-F148 HydrophobicContact CD1-CE2 4.42Å; I42-F148 HydrophobicContact CD1-CZ 4.06Å; I42-F148 HydrophobicContact CG1-CE2 3.92Å; I42-F148 HydrophobicContact CG1-CZ 4.01Å; I49-F148 HydrophobicContact CD1-CB 4.09Å; I49-F148 HydrophobicContact CD1-CD2 4.06Å; I49-F148 HydrophobicContact CG1-CD2 4.35Å; L144-F148 HydrophobicContact CB-CB 4.16Å; L144-F148 HydrophobicContact CB-CD1 3.84Å; L144-F148 HydrophobicContact CB-CE1 4.46Å; L144-F148 HydrophobicContact CB-CG 4.01Å; L144-F148 HydrophobicContact CD1-CD1 4.05Å; L144-F148 HydrophobicContact CD1-CE1 3.84Å; L144-F148 HydrophobicContact CD1-CE2 4.46Å; L144-F148 HydrophobicContact CD1-CG 4.46Å; L144-F148 HydrophobicContact CD1-CZ 4.07Å; L144-F148 HydrophobicContact CD2-CD2 4.08Å; L144-F148 HydrophobicContact CD2-CE2 4.42Å; L144-F148 HydrophobicContact CD2-CG 4.13Å; L144-F148 HydrophobicContact CG-CD1 4.34Å; L144-F148 HydrophobicContact CG-CG 4.41Å; G145-F148 VanDerWaalsContact O-CB 3.29Å; G145-F148 WeakPolarHBondContact O-CB 3.48Å; G145-F148 PolarHBondContact O-N 2.9Å; P146-F148 VanDerWaalsContact C-N 3.33Å; F148-K150 VanDerWaalsContact C-N 3.35Å; F148-K150 PolarHBondContact O-N 2.91Å; F148-M151 HydrophobicContact CD2-CE 3.8Å; F148-M151 HydrophobicContact CE2-CE 3.94Å; F148-M151 PolarHBondContact O-N 2.56Å; F148-A152 WeakPolarHBondContact O-CB 3.29Å; F148-A152 PolarHBondContact O-N 3.28Å
149I92.2Very high93.4Very high72 Ų7257.1 Ų57.137%0.36929%0.293SS..Hα-helixtrans-60.3-45.7178.3-60.1173.2000110.4P146 M151 A152 I153P146-I149 PolarHBondContact O-N 3.29Å; I149-M151 PolarHBondContact O-N 3.03Å; I149-A152 PolarHBondContact O-N 3.27Å; I149-I153 HydrophobicContact CG2-CD1 3.84Å; I149-I153 HydrophobicContact CG2-CG1 4.49Å; I149-I153 WeakPolarHBondContact O-CG1 3.42Å; I149-I153 PolarHBondContact O-N 3.39Å
150K95.2Very high93.9Very high91 Ų9156.3 Ų56.340%0.39629%0.288SS..Hα-helixtrans-57.8-48.8175.5-171.5-170.6-173.9-61.70111.6D57 P146 F148 A152 I153 D154D57-K150 IonicContact OD1-NZ 3.79Å; D57-K150 PolarHBondContact OD1-NZ 3.45Å; P146-K150 PolarHBondContact O-N 3Å; F148-K150 VanDerWaalsContact C-N 3.35Å; F148-K150 PolarHBondContact O-N 2.91Å; K150-A152 VanDerWaalsContact C-N 3.34Å; K150-A152 PolarHBondContact O-N 3.43Å; K150-I153 PolarHBondContact O-N 2.82Å; K150-D154 IonicContact NZ-OD2 3.37Å; K150-D154 PolarHBondContact NZ-OD2 3.47Å; K150-D154 WeakPolarHBondContact O-CB 3.46Å; K150-D154 PolarHBondContact O-N 2.91Å
151M97.3Very high94.2Very high0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-60.4-43.4179.2179.9-77.8-66.900111.4M38 I41 I49 W52 Q53 F56 P88 K147 F148 I149 D154 S155M38-M151 HydrophobicContact CE-CE 4.02Å; M38-M151 HydrophobicContact CE-SD 4.35Å; M38-M151 HydrophobicContact SD-CE 4.06Å; I41-M151 HydrophobicContact CD1-CE 4.17Å; I41-M151 HydrophobicContact CG2-CE 4.39Å; I49-M151 HydrophobicContact CG1-CE 4.41Å; I49-M151 HydrophobicContact CG2-CB 4.19Å; W52-M151 HydrophobicContact CB-CG 3.74Å; W52-M151 HydrophobicContact CB-SD 4.22Å; Q53-M151 VanDerWaalsContact OE1-CA 3.31Å; F56-M151 HydrophobicContact CD2-CG 4.26Å; F56-M151 HydrophobicContact CE2-CG 3.87Å; F56-M151 WeakPolarHBondContact CE2-O 3.48Å; F56-M151 HydrophobicContact CE2-SD 4.07Å; P88-M151 HydrophobicContact CB-SD 3.81Å; P88-M151 HydrophobicContact CG-SD 4.05Å; K147-M151 WeakPolarHBondContact O-CB 3.39Å; K147-M151 PolarHBondContact O-N 3.48Å; F148-M151 HydrophobicContact CD2-CE 3.8Å; F148-M151 HydrophobicContact CE2-CE 3.94Å; F148-M151 PolarHBondContact O-N 2.56Å; I149-M151 PolarHBondContact O-N 3.03Å; M151-D154 PolarHBondContact O-N 3.05Å; M151-S155 WeakPolarHBondContact O-CB 3.3Å; M151-S155 PolarHBondContact O-N 2.99Å
152A95.1Very high94.4Very high18 Ų1855.2 Ų55.215%0.14927%0.271CS..Hα-helixtrans-62.5-46.7176.600000111.7F148 I149 K150 S155 M156F148-A152 WeakPolarHBondContact O-CB 3.29Å; F148-A152 PolarHBondContact O-N 3.28Å; I149-A152 PolarHBondContact O-N 3.27Å; K150-A152 VanDerWaalsContact C-N 3.34Å; K150-A152 PolarHBondContact O-N 3.43Å; A152-S155 PolarHBondContact O-N 2.93Å; A152-S155 PolarHBondContact O-OG 3.38Å; A152-M156 PolarHBondContact O-N 3.32Å
153I94.6Very high94.5Very high55 Ų5556.2 Ų56.228%0.28228%0.275SS..Hα-helixtrans-63.1-46.8177.5-69.9170.4000111.1M124 I149 K150 S155 M156 K157M124-I153 HydrophobicContact CE-CG1 4.14Å; I149-I153 HydrophobicContact CG2-CD1 3.84Å; I149-I153 HydrophobicContact CG2-CG1 4.49Å; I149-I153 WeakPolarHBondContact O-CG1 3.42Å; I149-I153 PolarHBondContact O-N 3.39Å; K150-I153 PolarHBondContact O-N 2.82Å; I153-S155 VanDerWaalsContact C-N 3.27Å; I153-S155 PolarHBondContact O-N 3.37Å; I153-M156 WeakPolarHBondContact O-CB 3.28Å; I153-M156 PolarHBondContact O-N 2.87Å; I153-K157 PolarHBondContact O-N 2.87Å
154D96.8Very high94.4Very high8 Ų854.7 Ų54.74%0.04328%0.275CS..Hα-helixtrans-67.7-29.3-178.7-71.2-14000112.1Q53 F56 L60 K150 M151 M156 K157 L158Q53-D154 PolarHBondContact NE2-OD2 3.27Å; F56-D154 HydrophobicContact CB-CB 3.94Å; F56-D154 HydrophobicContact CD2-CB 4.13Å; F56-D154 HydrophobicContact CG-CB 4.07Å; L60-D154 HydrophobicContact CD1-CB 4.09Å; K150-D154 IonicContact NZ-OD2 3.37Å; K150-D154 PolarHBondContact NZ-OD2 3.47Å; K150-D154 WeakPolarHBondContact O-CB 3.46Å; K150-D154 PolarHBondContact O-N 2.91Å; M151-D154 PolarHBondContact O-N 3.05Å; D154-M156 VanDerWaalsContact C-N 3.31Å; D154-M156 PolarHBondContact O-N 3.26Å; D154-K157 WeakPolarHBondContact O-CB 3.35Å; D154-K157 PolarHBondContact O-N 3.43Å; D154-K157 WeakPolarHBondContact OD1-CD 3.47Å; D154-K157 IonicContact OD1-NZ 2.64Å; D154-K157 PolarHBondContact OD1-NZ 3.05Å; D154-L158 PolarHBondContact O-N 3.16Å
155S97.6Very high94.5Very high0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-62.6-37.9169.8810000112.7F56 V87 M151 A152 I153 A159F56-S155 VanDerWaalsContact CZ-CA 3.42Å; V87-S155 WeakPolarHBondContact CG1-OG 3.44Å; M151-S155 WeakPolarHBondContact O-CB 3.3Å; M151-S155 PolarHBondContact O-N 2.99Å; A152-S155 PolarHBondContact O-N 2.93Å; A152-S155 PolarHBondContact O-OG 3.38Å; I153-S155 VanDerWaalsContact C-N 3.27Å; I153-S155 PolarHBondContact O-N 3.37Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 2.61Å
156M96.6Very high94.6Very high4 Ų457.5 Ų57.52%0.0228%0.282CS..Hα-helixtrans-71.4-39175.4-63.3-58.3-57.400111.3P16 V87 F119 M124 A152 I153 D154 L158 A159 F160 F165P16-M156 HydrophobicContact CG-CE 4.49Å; P16-M156 HydrophobicContact CG-SD 3.97Å; V87-M156 HydrophobicContact CG1-SD 3.87Å; F119-M156 HydrophobicContact CE2-CE 3.97Å; F119-M156 HydrophobicContact CE2-SD 4.38Å; F119-M156 HydrophobicContact CZ-CE 3.88Å; F119-M156 HydrophobicContact CZ-SD 4.46Å; M124-M156 HydrophobicContact CE-CG 3.88Å; M124-M156 HydrophobicContact SD-CG 4.44Å; A152-M156 PolarHBondContact O-N 3.32Å; I153-M156 WeakPolarHBondContact O-CB 3.28Å; I153-M156 PolarHBondContact O-N 2.87Å; D154-M156 VanDerWaalsContact C-N 3.31Å; D154-M156 PolarHBondContact O-N 3.26Å; M156-L158 VanDerWaalsContact C-N 3.31Å; M156-L158 PolarHBondContact O-N 3.25Å; M156-A159 PolarHBondContact O-N 2.9Å; M156-F160 HydrophobicContact CB-CD2 4.4Å; M156-F160 HydrophobicContact CB-CE2 4.28Å; M156-F160 HydrophobicContact CE-CD2 4.32Å; M156-F160 HydrophobicContact CE-CE1 3.75Å; M156-F160 HydrophobicContact CE-CE2 3.42Å; M156-F160 VanDerWaalsContact CE-CE2 3.42Å; M156-F160 HydrophobicContact CE-CZ 3.09Å; M156-F160 WeakPolarHBondContact O-CB 3.46Å; M156-F160 WeakPolarHBondContact O-CD2 3.49Å; M156-F160 VanDerWaalsContact O-CG 3.31Å; M156-F160 WeakPolarHBondContact O-CG 3.39Å; M156-F160 PolarHBondContact O-N 3.29Å; M156-F165 HydrophobicContact CB-CE1 4.48Å; M156-F165 HydrophobicContact CB-CZ 4.05Å
157K96.8Very high94.4Very high49 Ų4954.3 Ų54.321%0.21326%0.258CS..Hα-helixtrans-56.9-45.9173.4-70.5178.8-175.8159.90111.8L60 I153 D154 R161 K162 I163 F165L60-K157 HydrophobicContact CD1-CB 4.13Å; L60-K157 HydrophobicContact CD1-CD 4.39Å; L60-K157 HydrophobicContact CD2-CB 4.42Å; I153-K157 PolarHBondContact O-N 2.87Å; D154-K157 WeakPolarHBondContact O-CB 3.35Å; D154-K157 PolarHBondContact O-N 3.43Å; D154-K157 WeakPolarHBondContact OD1-CD 3.47Å; D154-K157 IonicContact OD1-NZ 2.64Å; D154-K157 PolarHBondContact OD1-NZ 3.05Å; K157-R161 WeakPolarHBondContact O-CA 3.12Å; K157-R161 PolarHBondContact O-N 3.44Å; K157-K162 WeakPolarHBondContact CA-O 3.47Å; K157-K162 WeakPolarHBondContact CB-O 3.5Å; K157-K162 WeakPolarHBondContact CG-O 3.35Å; K157-K162 PolarHBondContact O-N 3.3Å; K157-I163 VanDerWaalsContact CD-O 3.25Å; K157-I163 WeakPolarHBondContact CD-O 3.35Å; K157-I163 WeakPolarHBondContact CE-O 3.35Å; K157-F165 HydrophobicContact CG-CD1 4.29Å; K157-F165 HydrophobicContact CG-CE1 3.71Å
158L96.8Very high94.4Very high23 Ų2350.5 Ų50.512%0.1224%0.243CC..Hα-helixtrans-62.6-50.6177-175.671.1000111F56 A59 L60 F92 D154 M156 F160 R161F56-L158 HydrophobicContact CD1-CB 4.27Å; F56-L158 HydrophobicContact CD1-CD2 3.97Å; F56-L158 HydrophobicContact CE1-CB 4.27Å; F56-L158 HydrophobicContact CE1-CD2 3.74Å; A59-L158 HydrophobicContact CB-CD1 3.83Å; L60-L158 HydrophobicContact CD2-CB 4.26Å; L60-L158 HydrophobicContact CD2-CD1 4.09Å; F92-L158 HydrophobicContact CD1-CD2 3.86Å; F92-L158 HydrophobicContact CD2-CD2 3.57Å; F92-L158 HydrophobicContact CE1-CD2 3.64Å; F92-L158 HydrophobicContact CE2-CD2 3.36Å; F92-L158 HydrophobicContact CG-CD2 3.84Å; F92-L158 HydrophobicContact CZ-CD2 3.39Å; D154-L158 PolarHBondContact O-N 3.16Å; M156-L158 VanDerWaalsContact C-N 3.31Å; M156-L158 PolarHBondContact O-N 3.25Å; L158-F160 PolarHBondContact O-N 3.23Å; L158-R161 PolarHBondContact O-N 2.87Å; L158-R161 VanDerWaalsContact O-N 3.09Å
159A97.3Very high94.4Very high5 Ų551.7 Ų51.74%0.04125%0.251CS..Hα-helixtrans-58.2-48.2179.800000111.6L15 S155 M156 R161 Y180L15-A159 HydrophobicContact CD2-CB 3.95Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 2.61Å; M156-A159 PolarHBondContact O-N 2.9Å; A159-R161 PolarHBondContact O-N 3.04Å; A159-Y180 HydrophobicContact CB-CD2 4.32Å; A159-Y180 HydrophobicContact CB-CE2 4.06Å; A159-Y180 WeakPolarHBondContact O-CD2 3.4Å
160F96.4Very high94.6Very high10 Ų1050.4 Ų50.44%0.04424%0.244CC..Hα-helixtrans-75.2-10.3178.9-61.1-27.4000114L15 W115 M156 L158 K162 F165 M173 Y176L15-F160 HydrophobicContact CD1-CE1 3.99Å; L15-F160 HydrophobicContact CD2-CE1 4.32Å; W115-F160 HydrophobicContact CH2-CZ 4.46Å; M156-F160 HydrophobicContact CB-CD2 4.4Å; M156-F160 HydrophobicContact CB-CE2 4.28Å; M156-F160 HydrophobicContact CE-CD2 4.32Å; M156-F160 HydrophobicContact CE-CE1 3.75Å; M156-F160 HydrophobicContact CE-CE2 3.42Å; M156-F160 VanDerWaalsContact CE-CE2 3.42Å; M156-F160 HydrophobicContact CE-CZ 3.09Å; M156-F160 WeakPolarHBondContact O-CB 3.46Å; M156-F160 WeakPolarHBondContact O-CD2 3.49Å; M156-F160 VanDerWaalsContact O-CG 3.31Å; M156-F160 WeakPolarHBondContact O-CG 3.39Å; M156-F160 PolarHBondContact O-N 3.29Å; L158-F160 PolarHBondContact O-N 3.23Å; F160-K162 HydrophobicContact CB-CB 4.39Å; F160-K162 HydrophobicContact CB-CG 4.36Å; F160-K162 PolarHBondContact O-N 2.66Å; F160-F165 HydrophobicContact CD2-CD1 4.46Å; F160-F165 HydrophobicContact CD2-CE1 4.15Å; F160-F165 HydrophobicContact CD2-CE2 4.48Å; F160-F165 HydrophobicContact CD2-CZ 4.16Å; F160-F165 HydrophobicContact CE2-CE2 4.39Å; F160-F165 HydrophobicContact CE2-CZ 4.31Å; F160-M173 HydrophobicContact CE2-CE 3.58Å; F160-M173 HydrophobicContact CE2-SD 4.18Å; F160-M173 HydrophobicContact CZ-CE 3.78Å; F160-Y176 HydrophobicContact CB-CG 4.24Å; F160-Y176 HydrophobicContact CD1-CG 4.49Å; F160-Y176 HydrophobicContact CD2-CD2 4.03Å; F160-Y176 HydrophobicContact CD2-CG 4.31Å; F160-Y176 HydrophobicContact CE2-CD2 4.38Å; F160-Y176 HydrophobicContact CG-CD2 4.31Å; F160-Y176 HydrophobicContact CG-CG 4.14Å
161R93.8Very high94.8Very high185 Ų18552 Ų5270%0.69826%0.257SS*.THydrogen-bonded Turntrans54.941.4-173.4-53.5175.268.8-169.11.2111.5K157 L158 A159K157-R161 WeakPolarHBondContact O-CA 3.12Å; K157-R161 PolarHBondContact O-N 3.44Å; L158-R161 PolarHBondContact O-N 2.87Å; L158-R161 VanDerWaalsContact O-N 3.09Å; A159-R161 PolarHBondContact O-N 3.04Å
162K93.4Very high94.7Very high83 Ų8354.4 Ų54.436%0.36127%0.268SS..  trans-133.2121-179.9-66.2-62.5-177.9-179.60109.7K157 F160 D164 F165 Y176K157-K162 WeakPolarHBondContact CA-O 3.47Å; K157-K162 WeakPolarHBondContact CB-O 3.5Å; K157-K162 WeakPolarHBondContact CG-O 3.35Å; K157-K162 PolarHBondContact O-N 3.3Å; F160-K162 HydrophobicContact CB-CB 4.39Å; F160-K162 HydrophobicContact CB-CG 4.36Å; F160-K162 PolarHBondContact O-N 2.66Å; K162-D164 VanDerWaalsContact C-N 3.33Å; K162-F165 HydrophobicContact CB-CD1 4.35Å; K162-Y176 HydrophobicContact CD-CE1 4.28Å; K162-Y176 HydrophobicContact CG-CD1 4.29Å; K162-Y176 HydrophobicContact CG-CE1 3.83Å
163I90.3Very high94.8Very high102 Ų10253.5 Ų53.552%0.52326%0.261SS..SBendtrans-71.6-34.1177.2-64.3175.9000110.9M62 K157M62-I163 HydrophobicContact CG-CD1 4.2Å; K157-I163 VanDerWaalsContact CD-O 3.25Å; K157-I163 WeakPolarHBondContact CD-O 3.35Å; K157-I163 WeakPolarHBondContact CE-O 3.35Å
164D89Confident95Very high140 Ų14051.5 Ų51.575%0.74925%0.251SS*.SBendtrans-132.6136.2179.5-160.54.1000109K162K162-D164 VanDerWaalsContact C-N 3.33Å
165F91.3Very high95Very high24 Ų2456.6 Ų56.611%0.10527%0.274CS..  trans-155.8145.8175.562.4-92.3000110M156 K157 F160 K162 I167 M173 Y176M156-F165 HydrophobicContact CB-CE1 4.48Å; M156-F165 HydrophobicContact CB-CZ 4.05Å; K157-F165 HydrophobicContact CG-CD1 4.29Å; K157-F165 HydrophobicContact CG-CE1 3.71Å; F160-F165 HydrophobicContact CD2-CD1 4.46Å; F160-F165 HydrophobicContact CD2-CE1 4.15Å; F160-F165 HydrophobicContact CD2-CE2 4.48Å; F160-F165 HydrophobicContact CD2-CZ 4.16Å; F160-F165 HydrophobicContact CE2-CE2 4.39Å; F160-F165 HydrophobicContact CE2-CZ 4.31Å; K162-F165 HydrophobicContact CB-CD1 4.35Å; F165-I167 HydrophobicContact CD2-CB 4.49Å; F165-I167 HydrophobicContact CE2-CB 4.18Å; F165-I167 HydrophobicContact CE2-CG1 4.35Å; F165-I167 PolarHBondContact O-N 3.31Å; F165-I167 VanDerWaalsContact O-N 3.12Å; F165-M173 HydrophobicContact CD2-SD 3.99Å; F165-M173 HydrophobicContact CE2-SD 3.97Å; F165-Y176 HydrophobicContact CB-CE2 3.67Å; F165-Y176 HydrophobicContact CG-CE2 4.31Å
166D92.3Very high95Very high82 Ų8257.6 Ų57.644%0.43928%0.278SS..  trans-77.9101.4174.2-1793.1000109.2D168 N169 E172D166-D168 PolarHBondContact O-N 3.48Å; D166-D168 VanDerWaalsContact O-N 3.15Å; D166-D168 WeakPolarHBondContact OD1-CB 3.19Å; D166-D168 PolarHBondContact OD1-N 3.19Å; D166-N169 HydrophobicContact CB-CB 3.82Å; D166-N169 WeakPolarHBondContact O-CB 3.38Å; D166-N169 PolarHBondContact O-N 3.37Å; D166-E172 PolarHBondContact N-OE2 3.42Å
167I89.5Confident95.1Very high46 Ų4657.6 Ų57.624%0.23628%0.278CS..THydrogen-bonded Turntrans-57.9-26177.5-165.6163.8000112R120 M124 F165R120-I167 PolarHBondContact NH1-O 2.93Å; R120-I167 PolarHBondContact NH2-O 2.82Å; M124-I167 HydrophobicContact CB-CD1 3.96Å; M124-I167 HydrophobicContact CB-CG1 4.34Å; M124-I167 HydrophobicContact CE-CD1 4.27Å; M124-I167 HydrophobicContact CG-CD1 3.89Å; M124-I167 HydrophobicContact SD-CD1 3.33Å; M124-I167 WeakPolarHBondContact SD-CD1 3.47Å; M124-I167 HydrophobicContact SD-CG1 4.11Å; F165-I167 HydrophobicContact CD2-CB 4.49Å; F165-I167 HydrophobicContact CE2-CB 4.18Å; F165-I167 HydrophobicContact CE2-CG1 4.35Å; F165-I167 PolarHBondContact O-N 3.31Å; F165-I167 VanDerWaalsContact O-N 3.12Å
168D94Very high95.2Very high43 Ų4358.3 Ų58.323%0.2329%0.285CS..THydrogen-bonded Turntrans-85.6-11.5-179.6-74-26.4000113.3K126 S127 D166 D170K126-D168 WeakPolarHBondContact CA-OD1 3.32Å; K126-D168 WeakPolarHBondContact CE-O 3.19Å; K126-D168 PolarHBondContact NZ-O 3.15Å; S127-D168 WeakPolarHBondContact CB-OD2 3.46Å; S127-D168 PolarHBondContact N-OD1 2.96Å; S127-D168 PolarHBondContact N-OD2 2.94Å; S127-D168 PolarHBondContact OG-OD1 3.37Å; S127-D168 PolarHBondContact OG-OD2 3.07Å; D166-D168 PolarHBondContact O-N 3.48Å; D166-D168 VanDerWaalsContact O-N 3.15Å; D166-D168 WeakPolarHBondContact OD1-CB 3.19Å; D166-D168 PolarHBondContact OD1-N 3.19Å; D168-D170 PolarHBondContact O-N 3.06Å
169N96.2Very high95.3Very high46 Ų4660.7 Ų60.725%0.24630%0.295CS..  trans-83.995.7179.7-173.2-13.6000111.6D166 N171 E172 M173D166-N169 HydrophobicContact CB-CB 3.82Å; D166-N169 WeakPolarHBondContact O-CB 3.38Å; D166-N169 PolarHBondContact O-N 3.37Å; N169-N171 PolarHBondContact O-N 3Å; N169-N171 PolarHBondContact OD1-N 3.09Å; N169-N171 VanDerWaalsContact OD1-N 3.12Å; N169-E172 HydrophobicContact CB-CB 4.06Å; N169-E172 HydrophobicContact CB-CG 4.29Å; N169-E172 WeakPolarHBondContact ND2-CG 3.45Å; N169-E172 PolarHBondContact ND2-OE1 2.97Å; N169-E172 PolarHBondContact O-N 2.86Å; N169-E172 VanDerWaalsContact O-N 3.16Å; N169-E172 PolarHBondContact OD1-N 3.49Å; N169-M173 WeakPolarHBondContact O-CG 3.16Å; N169-M173 PolarHBondContact O-N 3.03Å
170D97.3Very high95.3Very high44 Ų4460.9 Ų60.924%0.23530%0.295CS..Hα-helixtrans-57.6-33.3179.6-72.4-19.1000114L116 R120 K126 D168 M173 L174L116-D170 HydrophobicContact CD2-CB 3.62Å; R120-D170 IonicContact CZ-OD1 3.25Å; R120-D170 VanDerWaalsContact CZ-OD1 3.25Å; R120-D170 IonicContact NE-OD1 2.89Å; R120-D170 PolarHBondContact NE-OD1 2.75Å; R120-D170 IonicContact NH2-OD1 2.74Å; R120-D170 PolarHBondContact NH2-OD1 2.95Å; K126-D170 VanDerWaalsContact CE-CG 3.41Å; K126-D170 WeakPolarHBondContact CE-OD1 3.3Å; K126-D170 WeakPolarHBondContact CE-OD2 3.4Å; K126-D170 VanDerWaalsContact NZ-CG 3.32Å; K126-D170 IonicContact NZ-OD1 3.61Å; K126-D170 IonicContact NZ-OD2 2.71Å; K126-D170 PolarHBondContact NZ-OD2 3.36Å; D168-D170 PolarHBondContact O-N 3.06Å; D170-M173 PolarHBondContact O-N 3.05Å; D170-L174 WeakPolarHBondContact O-CB 3.24Å; D170-L174 VanDerWaalsContact O-CG 3.24Å; D170-L174 WeakPolarHBondContact O-CG 3.39Å; D170-L174 PolarHBondContact O-N 2.85Å
171N97.6Very high95.4Very high124 Ų12461 Ų6166%0.66330%0.296SS*.Hα-helixtrans-68.7-41.1179.2-70.4-35.4000111.1N169 L174 Q175N169-N171 PolarHBondContact O-N 3Å; N169-N171 PolarHBondContact OD1-N 3.09Å; N169-N171 VanDerWaalsContact OD1-N 3.12Å; N171-L174 PolarHBondContact O-N 3.49Å; N171-Q175 WeakPolarHBondContact O-CB 3.46Å; N171-Q175 PolarHBondContact O-N 3.04Å
172E96.4Very high95.7Very high51 Ų5157.9 Ų57.924%0.23828%0.284CS..Hα-helixtrans-62.7-46.6173.1-83.1-176.6-139.600111.2D166 N169 L174 Q175 Y176D166-E172 PolarHBondContact N-OE2 3.42Å; N169-E172 HydrophobicContact CB-CB 4.06Å; N169-E172 HydrophobicContact CB-CG 4.29Å; N169-E172 WeakPolarHBondContact ND2-CG 3.45Å; N169-E172 PolarHBondContact ND2-OE1 2.97Å; N169-E172 PolarHBondContact O-N 2.86Å; N169-E172 VanDerWaalsContact O-N 3.16Å; N169-E172 PolarHBondContact OD1-N 3.49Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.34Å; E172-Q175 WeakPolarHBondContact O-CB 3.41Å; E172-Q175 PolarHBondContact O-N 2.96Å; E172-Q175 VanDerWaalsContact O-N 3.09Å; E172-Y176 HydrophobicContact CB-CD2 4.38Å; E172-Y176 HydrophobicContact CB-CE2 3.72Å; E172-Y176 HydrophobicContact CG-CE2 4.38Å; E172-Y176 WeakPolarHBondContact O-CD2 3.43Å; E172-Y176 VanDerWaalsContact O-CG 3.27Å; E172-Y176 PolarHBondContact O-N 3.28Å; E172-Y176 PolarHBondContact OE2-OH 2.97Å
173M97Very high95.9Very high0 Ų054.8 Ų54.80%027%0.272CS..Hα-helixtrans-59.5-41.8179-64.4-57-61.900112.4W115 L116 F119 F160 F165 N169 D170 Y176 F177W115-M173 HydrophobicContact CH2-CB 4.31Å; W115-M173 HydrophobicContact CH2-CE 4.16Å; W115-M173 HydrophobicContact CZ3-CB 4.33Å; W115-M173 WeakPolarHBondContact CZ3-O 3.32Å; L116-M173 HydrophobicContact CD1-CB 3.9Å; F119-M173 HydrophobicContact CD1-CE 4.2Å; F119-M173 HydrophobicContact CE1-CE 3.51Å; F119-M173 HydrophobicContact CZ-CE 4.02Å; F160-M173 HydrophobicContact CE2-CE 3.58Å; F160-M173 HydrophobicContact CE2-SD 4.18Å; F160-M173 HydrophobicContact CZ-CE 3.78Å; F165-M173 HydrophobicContact CD2-SD 3.99Å; F165-M173 HydrophobicContact CE2-SD 3.97Å; N169-M173 WeakPolarHBondContact O-CG 3.16Å; N169-M173 PolarHBondContact O-N 3.03Å; D170-M173 PolarHBondContact O-N 3.05Å; M173-Y176 PolarHBondContact O-N 3.09Å; M173-F177 WeakPolarHBondContact O-CB 3.34Å; M173-F177 PolarHBondContact O-N 3.39Å
174L98.2Very high96.3Very high12 Ų1249.9 Ų49.96%0.06325%0.247CC..Hα-helixtrans-65.1-40.6174.9-72168.1000112K112 Y113 L116 D170 N171 E172 F177 D178K112-L174 HydrophobicContact CB-CD2 3.84Å; K112-L174 HydrophobicContact CD-CD2 4.13Å; K112-L174 HydrophobicContact CG-CD2 3.88Å; K112-L174 VanDerWaalsContact O-CD2 3.22Å; K112-L174 WeakPolarHBondContact O-CD2 3.22Å; Y113-L174 HydrophobicContact CD1-CD1 3.96Å; Y113-L174 HydrophobicContact CD1-CD2 4.32Å; Y113-L174 HydrophobicContact CE1-CD1 3.67Å; L116-L174 HydrophobicContact CB-CD2 3.82Å; L116-L174 HydrophobicContact CB-CG 4.43Å; L116-L174 HydrophobicContact CD2-CD1 3.96Å; L116-L174 HydrophobicContact CD2-CD2 4.08Å; L116-L174 HydrophobicContact CD2-CG 3.87Å; L116-L174 HydrophobicContact CG-CD2 4.49Å; D170-L174 WeakPolarHBondContact O-CB 3.24Å; D170-L174 VanDerWaalsContact O-CG 3.24Å; D170-L174 WeakPolarHBondContact O-CG 3.39Å; D170-L174 PolarHBondContact O-N 2.85Å; N171-L174 PolarHBondContact O-N 3.49Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.34Å; L174-F177 PolarHBondContact O-N 2.9Å; L174-D178 PolarHBondContact O-N 2.93Å; L174-D178 VanDerWaalsContact O-N 3.08Å
175Q97.9Very high96.8Very high115 Ų11546.7 Ų46.754%0.53723%0.229SC..Hα-helixtrans-63.5-45.5176.6-179.8178.9-16.900111.2N171 E172 F177 D178 E179N171-Q175 WeakPolarHBondContact O-CB 3.46Å; N171-Q175 PolarHBondContact O-N 3.04Å; E172-Q175 WeakPolarHBondContact O-CB 3.41Å; E172-Q175 PolarHBondContact O-N 2.96Å; E172-Q175 VanDerWaalsContact O-N 3.09Å; Q175-F177 VanDerWaalsContact C-N 3.33Å; Q175-F177 PolarHBondContact O-N 2.81Å; Q175-D178 PolarHBondContact O-N 3.28Å; Q175-E179 WeakPolarHBondContact O-CB 3.13Å; Q175-E179 PolarHBondContact O-N 3.47Å
176Y97.8Very high97.1Very high21 Ų2151.6 Ų51.68%0.08225%0.252CS..Hα-helixtrans-66.6-34.7179.1-58.2-38.1000112.4F160 K162 F165 E172 M173 Y180F160-Y176 HydrophobicContact CB-CG 4.24Å; F160-Y176 HydrophobicContact CD1-CG 4.49Å; F160-Y176 HydrophobicContact CD2-CD2 4.03Å; F160-Y176 HydrophobicContact CD2-CG 4.31Å; F160-Y176 HydrophobicContact CE2-CD2 4.38Å; F160-Y176 HydrophobicContact CG-CD2 4.31Å; F160-Y176 HydrophobicContact CG-CG 4.14Å; K162-Y176 HydrophobicContact CD-CE1 4.28Å; K162-Y176 HydrophobicContact CG-CD1 4.29Å; K162-Y176 HydrophobicContact CG-CE1 3.83Å; F165-Y176 HydrophobicContact CB-CE2 3.67Å; F165-Y176 HydrophobicContact CG-CE2 4.31Å; E172-Y176 HydrophobicContact CB-CD2 4.38Å; E172-Y176 HydrophobicContact CB-CE2 3.72Å; E172-Y176 HydrophobicContact CG-CE2 4.38Å; E172-Y176 WeakPolarHBondContact O-CD2 3.43Å; E172-Y176 VanDerWaalsContact O-CG 3.27Å; E172-Y176 PolarHBondContact O-N 3.28Å; E172-Y176 PolarHBondContact OE2-OH 2.97Å; M173-Y176 PolarHBondContact O-N 3.09Å; Y176-Y180 WeakPolarHBondContact O-CB 3.37Å; Y176-Y180 PolarHBondContact O-N 2.64Å
177F98.2Very high97.4Very high4 Ų450.3 Ų50.32%0.01825%0.248CC..Hα-helixtrans-60.5-50171.5179.5-97.5000112L15 T18 K112 W115 M173 L174 Q175 N181L15-F177 HydrophobicContact CD1-CD2 3.59Å; L15-F177 HydrophobicContact CD1-CE2 4.2Å; L15-F177 HydrophobicContact CD1-CG 4.46Å; T18-F177 HydrophobicContact CG2-CE2 3.78Å; T18-F177 HydrophobicContact CG2-CZ 4.22Å; K112-F177 HydrophobicContact CB-CD1 3.71Å; K112-F177 HydrophobicContact CB-CE1 3.85Å; W115-F177 HydrophobicContact CB-CD2 4.4Å; W115-F177 HydrophobicContact CB-CE1 4.39Å; W115-F177 HydrophobicContact CB-CE2 3.94Å; W115-F177 HydrophobicContact CB-CZ 3.92Å; W115-F177 AromaticContact CD1-CD2 3.85Å; W115-F177 AromaticContact CD1-CE2 3.46Å; W115-F177 VanDerWaalsContact CD1-CE2 3.46Å; W115-F177 HydrophobicContact CD2-CB 4.27Å; W115-F177 AromaticContact CD2-CD2 3.28Å; W115-F177 HydrophobicContact CD2-CD2 3.28Å; W115-F177 AromaticContact CD2-CE2 3.64Å; W115-F177 HydrophobicContact CD2-CE2 3.64Å; W115-F177 AromaticContact CD2-CG 3.79Å; W115-F177 HydrophobicContact CD2-CG 3.79Å; W115-F177 HydrophobicContact CD2-CZ 4.38Å; W115-F177 AromaticContact CE2-CD2 3.4Å; W115-F177 AromaticContact CE2-CE2 3.88Å; W115-F177 HydrophobicContact CE3-CB 3.78Å; W115-F177 HydrophobicContact CE3-CD1 4.34Å; W115-F177 AromaticContact CE3-CD2 3.68Å; W115-F177 HydrophobicContact CE3-CD2 3.68Å; W115-F177 HydrophobicContact CE3-CE2 4.36Å; W115-F177 AromaticContact CE3-CG 3.67Å; W115-F177 HydrophobicContact CE3-CG 3.67Å; W115-F177 AromaticContact CG-CD2 3.6Å; W115-F177 HydrophobicContact CG-CD2 3.6Å; W115-F177 AromaticContact CG-CE2 3.38Å; W115-F177 HydrophobicContact CG-CE2 3.38Å; W115-F177 HydrophobicContact CG-CG 4.3Å; W115-F177 AromaticContact CG-CZ 3.89Å; W115-F177 HydrophobicContact CG-CZ 3.89Å; W115-F177 HydrophobicContact CH2-CB 3.88Å; W115-F177 HydrophobicContact CH2-CD2 4.24Å; W115-F177 HydrophobicContact CH2-CG 4.41Å; W115-F177 HydrophobicContact CZ2-CB 4.36Å; W115-F177 AromaticContact CZ2-CD2 3.89Å; W115-F177 HydrophobicContact CZ2-CD2 3.89Å; W115-F177 HydrophobicContact CZ3-CB 3.58Å; W115-F177 HydrophobicContact CZ3-CD2 4.15Å; W115-F177 HydrophobicContact CZ3-CG 4.01Å; W115-F177 AromaticContact NE1-CD2 3.72Å; W115-F177 AromaticContact NE1-CE2 3.74Å; M173-F177 WeakPolarHBondContact O-CB 3.34Å; M173-F177 PolarHBondContact O-N 3.39Å; L174-F177 PolarHBondContact O-N 2.9Å; Q175-F177 VanDerWaalsContact C-N 3.33Å; Q175-F177 PolarHBondContact O-N 2.81Å; F177-N181 WeakPolarHBondContact CD1-ND2 3.37Å; F177-N181 WeakPolarHBondContact CE1-ND2 3.42Å; F177-N181 WeakPolarHBondContact CZ-ND2 3.41Å; F177-N181 VanDerWaalsContact O-CG 3.26Å; F177-N181 PolarHBondContact O-N 3.37Å; F177-N181 VanDerWaalsContact O-N 3.11Å; F177-N181 PolarHBondContact O-ND2 3.47Å
178D98.5Very high97.9Very high65 Ų6548.4 Ų48.435%0.34824%0.238SC..Hα-helixtrans-63.4-44.3179-75.9-17.6000111.2K112 L174 Q175 R182K112-D178 WeakPolarHBondContact CD-OD1 3.37Å; K112-D178 VanDerWaalsContact CD-OD2 3.27Å; K112-D178 WeakPolarHBondContact CD-OD2 3.43Å; K112-D178 IonicContact NZ-OD2 3.39Å; K112-D178 PolarHBondContact NZ-OD2 2.9Å; L174-D178 PolarHBondContact O-N 2.93Å; L174-D178 VanDerWaalsContact O-N 3.08Å; Q175-D178 PolarHBondContact O-N 3.28Å; D178-R182 VanDerWaalsContact O-CB 3.3Å; D178-R182 WeakPolarHBondContact O-CB 3.24Å; D178-R182 PolarHBondContact O-N 2.98Å
179E98.4Very high98.1Very high72 Ų7249 Ų4934%0.33624%0.244SC..Hα-helixtrans-65.3-43.1-180-175.1171.7-173.500112.3Q175 T183Q175-E179 WeakPolarHBondContact O-CB 3.13Å; Q175-E179 PolarHBondContact O-N 3.47Å; E179-T183 VanDerWaalsContact O-CB 3.32Å; E179-T183 WeakPolarHBondContact O-CB 3.22Å; E179-T183 PolarHBondContact O-N 3.36Å; E179-T183 PolarHBondContact O-OG1 2.86Å
180Y98.6Very high98.1Very high9 Ų951.6 Ų51.64%0.03527%0.266CS..Hα-helixtrans-61.1-52.6176.6175.7-96.1000111.3A13 L15 C90 Y93 A159 Y176 R182 T183 V184A13-Y180 WeakPolarHBondContact O-CE1 3.18Å; A13-Y180 PolarHBondContact O-OH 3.47Å; L15-Y180 HydrophobicContact CD1-CD1 3.58Å; L15-Y180 HydrophobicContact CD1-CE1 4.21Å; L15-Y180 HydrophobicContact CD1-CG 4.02Å; L15-Y180 HydrophobicContact CD2-CD1 3.94Å; L15-Y180 HydrophobicContact CD2-CE1 3.88Å; L15-Y180 HydrophobicContact CD2-CE2 4.5Å; L15-Y180 HydrophobicContact CD2-CG 4.26Å; L15-Y180 HydrophobicContact CG-CD1 3.47Å; L15-Y180 VanDerWaalsContact CG-CD1 3.47Å; L15-Y180 HydrophobicContact CG-CE1 3.56Å; L15-Y180 HydrophobicContact CG-CG 4.17Å; C90-Y180 PolarHBondContact O-OH 2.87Å; Y93-Y180 HydrophobicContact CE1-CE2 4.27Å; A159-Y180 HydrophobicContact CB-CD2 4.32Å; A159-Y180 HydrophobicContact CB-CE2 4.06Å; A159-Y180 WeakPolarHBondContact O-CD2 3.4Å; Y176-Y180 WeakPolarHBondContact O-CB 3.37Å; Y176-Y180 PolarHBondContact O-N 2.64Å; Y180-R182 VanDerWaalsContact C-N 3.32Å; Y180-R182 PolarHBondContact O-N 3.45Å; Y180-T183 WeakPolarHBondContact O-CB 3.19Å; Y180-T183 PolarHBondContact O-N 2.87Å; Y180-T183 VanDerWaalsContact O-N 3.1Å; Y180-V184 HydrophobicContact CD1-CG2 4.24Å; Y180-V184 HydrophobicContact CE1-CG2 3.82Å; Y180-V184 HydrophobicContact CE2-CG2 4.2Å; Y180-V184 WeakPolarHBondContact O-CG2 3.37Å; Y180-V184 PolarHBondContact O-N 3.08Å
181N98.7Very high98.2Very high13 Ų1356.5 Ų56.57%0.0729%0.288CS..Hα-helixtrans-59.5-44.9-178.8-69.7-31.8000111.3F177 T183 V184 I185F177-N181 WeakPolarHBondContact CD1-ND2 3.37Å; F177-N181 WeakPolarHBondContact CE1-ND2 3.42Å; F177-N181 WeakPolarHBondContact CZ-ND2 3.41Å; F177-N181 VanDerWaalsContact O-CG 3.26Å; F177-N181 PolarHBondContact O-N 3.37Å; F177-N181 VanDerWaalsContact O-N 3.11Å; F177-N181 PolarHBondContact O-ND2 3.47Å; N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 PolarHBondContact O-N 2.86Å; N181-V184 PolarHBondContact O-N 3.23Å; N181-I185 VanDerWaalsContact O-CG1 3.3Å; N181-I185 WeakPolarHBondContact O-CG1 3.43Å; N181-I185 PolarHBondContact O-N 3.01Å; N181-I185 VanDerWaalsContact O-N 3.09Å
182R98.6Very high98.2Very high119 Ų11952.5 Ų52.545%0.44926%0.263SS..Hα-helixtrans-59.4-45.5175.2-177.1179.562.677.35.5111.5D178 Y180 V184 I185 E186D178-R182 VanDerWaalsContact O-CB 3.3Å; D178-R182 WeakPolarHBondContact O-CB 3.24Å; D178-R182 PolarHBondContact O-N 2.98Å; Y180-R182 VanDerWaalsContact C-N 3.32Å; Y180-R182 PolarHBondContact O-N 3.45Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 2.97Å; R182-I185 PolarHBondContact O-N 3.4Å; R182-E186 WeakPolarHBondContact CD-OE1 3.29Å; R182-E186 HydrophobicContact CG-CG 4.36Å; R182-E186 WeakPolarHBondContact CG-OE1 3.49Å; R182-E186 IonicContact CZ-OE1 3.17Å; R182-E186 IonicContact CZ-OE2 2.77Å; R182-E186 IonicContact NH1-OE1 2.73Å; R182-E186 PolarHBondContact NH1-OE1 3.37Å; R182-E186 IonicContact NH1-OE2 2.74Å; R182-E186 PolarHBondContact NH1-OE2 3.11Å; R182-E186 WeakPolarHBondContact O-CB 3.33Å; R182-E186 WeakPolarHBondContact O-CG 3.42Å; R182-E186 PolarHBondContact O-N 2.87Å
183T98.6Very high98.3Very high18 Ų1851.1 Ų51.111%0.1126%0.257CS..Hα-helixtrans-62.7-39.6-179.8-58.90000112E179 Y180 N181 E186 T187E179-T183 VanDerWaalsContact O-CB 3.32Å; E179-T183 WeakPolarHBondContact O-CB 3.22Å; E179-T183 PolarHBondContact O-N 3.36Å; E179-T183 PolarHBondContact O-OG1 2.86Å; Y180-T183 WeakPolarHBondContact O-CB 3.19Å; Y180-T183 PolarHBondContact O-N 2.87Å; Y180-T183 VanDerWaalsContact O-N 3.1Å; N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 PolarHBondContact O-N 2.86Å; T183-E186 PolarHBondContact O-N 3.43Å; T183-T187 VanDerWaalsContact O-CB 3.24Å; T183-T187 WeakPolarHBondContact O-CB 3.28Å; T183-T187 PolarHBondContact O-N 3.24Å; T183-T187 PolarHBondContact O-OG1 3.5Å
184V98.7Very high98.4Very high0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-61.8-49.1174.6175.90000110.1A13 Y93 L107 Y180 N181 R182 E186 T187 V188 L193A13-V184 HydrophobicContact CB-CG1 3.93Å; A13-V184 HydrophobicContact CB-CG2 4.4Å; Y93-V184 HydrophobicContact CD1-CG2 4.34Å; Y93-V184 HydrophobicContact CE1-CG2 3.79Å; Y93-V184 HydrophobicContact CE2-CB 4.48Å; Y93-V184 HydrophobicContact CE2-CG1 4.35Å; Y93-V184 HydrophobicContact CE2-CG2 4.16Å; L107-V184 HydrophobicContact CB-CG1 4.19Å; L107-V184 HydrophobicContact CD1-CB 4.24Å; L107-V184 HydrophobicContact CD1-CG1 4.07Å; L107-V184 HydrophobicContact CD1-CG2 4.35Å; L107-V184 HydrophobicContact CD2-CB 4.03Å; L107-V184 HydrophobicContact CD2-CG1 3.94Å; L107-V184 HydrophobicContact CG-CG1 4.28Å; Y180-V184 HydrophobicContact CD1-CG2 4.24Å; Y180-V184 HydrophobicContact CE1-CG2 3.82Å; Y180-V184 HydrophobicContact CE2-CG2 4.2Å; Y180-V184 WeakPolarHBondContact O-CG2 3.37Å; Y180-V184 PolarHBondContact O-N 3.08Å; N181-V184 PolarHBondContact O-N 3.23Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 2.97Å; V184-E186 VanDerWaalsContact C-N 3.29Å; V184-E186 PolarHBondContact O-N 2.94Å; V184-T187 PolarHBondContact O-N 3.31Å; V184-V188 HydrophobicContact CG1-CG2 4.03Å; V184-V188 WeakPolarHBondContact O-CG2 3.48Å; V184-V188 PolarHBondContact O-N 3.44Å; V184-L193 HydrophobicContact CG1-CD1 4.48Å
185I98.7Very high98.4Very high73 Ų7354.6 Ų54.637%0.37428%0.275SS..Hα-helixtrans-59.4-40.3179.4-65.5166.1000111.7L107 N181 R182 L193 I195L107-I185 HydrophobicContact CD2-CD1 4.04Å; L107-I185 HydrophobicContact CD2-CG1 3.6Å; N181-I185 VanDerWaalsContact O-CG1 3.3Å; N181-I185 WeakPolarHBondContact O-CG1 3.43Å; N181-I185 PolarHBondContact O-N 3.01Å; N181-I185 VanDerWaalsContact O-N 3.09Å; R182-I185 PolarHBondContact O-N 3.4Å; I185-L193 HydrophobicContact CG1-CD2 4.36Å; I185-I195 HydrophobicContact CD1-CD1 3.83Å; I185-I195 HydrophobicContact CG1-CD1 3.87Å; I185-I195 HydrophobicContact CG1-CG1 4.32Å; I185-I195 HydrophobicContact CG2-CD1 4.45Å
186E98.5Very high98.5Very high126 Ų12649.4 Ų49.459%0.58925%0.251SS*.Hα-helixtrans-74.8-29.4179.4-72.1171.4-176.700113.1R182 T183 V184R182-E186 WeakPolarHBondContact CD-OE1 3.29Å; R182-E186 HydrophobicContact CG-CG 4.36Å; R182-E186 WeakPolarHBondContact CG-OE1 3.49Å; R182-E186 IonicContact CZ-OE1 3.17Å; R182-E186 IonicContact CZ-OE2 2.77Å; R182-E186 IonicContact NH1-OE1 2.73Å; R182-E186 PolarHBondContact NH1-OE1 3.37Å; R182-E186 IonicContact NH1-OE2 2.74Å; R182-E186 PolarHBondContact NH1-OE2 3.11Å; R182-E186 WeakPolarHBondContact O-CB 3.33Å; R182-E186 WeakPolarHBondContact O-CG 3.42Å; R182-E186 PolarHBondContact O-N 2.87Å; T183-E186 PolarHBondContact O-N 3.43Å; V184-E186 VanDerWaalsContact C-N 3.29Å; V184-E186 PolarHBondContact O-N 2.94Å
187T98.5Very high98.5Very high55 Ų5554.1 Ų54.134%0.33727%0.272SS..Hα-helixtrans-85.3-39.7-175.5-58.60000112.2Y93 K94 T183 V184Y93-T187 HydrophobicContact CE2-CG2 4.25Å; K94-T187 HydrophobicContact CD-CG2 4.01Å; K94-T187 HydrophobicContact CG-CG2 4.19Å; K94-T187 PolarHBondContact NZ-OG1 3.04Å; T183-T187 VanDerWaalsContact O-CB 3.24Å; T183-T187 WeakPolarHBondContact O-CB 3.28Å; T183-T187 PolarHBondContact O-N 3.24Å; T183-T187 PolarHBondContact O-OG1 3.5Å; V184-T187 PolarHBondContact O-N 3.31Å
188V98.7Very high98.2Very high6 Ų657.7 Ų57.74%0.03629%0.291CS..SBendtrans-85.9128.1-171.6-173.90000109.9Y93 M97 V105 V184 S190 R192 L193Y93-V188 HydrophobicContact CD2-CG2 4.1Å; Y93-V188 HydrophobicContact CE2-CG2 3.98Å; M97-V188 HydrophobicContact CE-CB 4.41Å; M97-V188 HydrophobicContact CE-CG1 3.9Å; M97-V188 HydrophobicContact CE-CG2 4.31Å; M97-V188 HydrophobicContact SD-CB 4.42Å; M97-V188 HydrophobicContact SD-CG1 4.09Å; M97-V188 HydrophobicContact SD-CG2 3.73Å; V105-V188 HydrophobicContact CB-CG1 3.93Å; V105-V188 HydrophobicContact CG1-CG1 4.43Å; V105-V188 HydrophobicContact CG1-CG2 4.23Å; V105-V188 HydrophobicContact CG2-CG1 3.84Å; V184-V188 HydrophobicContact CG1-CG2 4.03Å; V184-V188 WeakPolarHBondContact O-CG2 3.48Å; V184-V188 PolarHBondContact O-N 3.44Å; V188-S190 PolarHBondContact O-N 2.94Å; V188-R192 HydrophobicContact CG1-CB 4.38Å; V188-L193 HydrophobicContact CB-CB 4.18Å; V188-L193 HydrophobicContact CB-CD1 4.3Å; V188-L193 HydrophobicContact CB-CD2 4.31Å; V188-L193 HydrophobicContact CB-CG 4.5Å; V188-L193 HydrophobicContact CG1-CB 3.78Å; V188-L193 HydrophobicContact CG1-CD1 4.27Å; V188-L193 HydrophobicContact CG1-CG 4.48Å
189P98.4Very high97.9Very high56 Ų5658.1 Ų58.136%0.36431%0.311SS..  trans-55.2133.7173.8-24.233.4000111.5E191 R192 L193P189-E191 VanDerWaalsContact CB-CD 3.44Å; P189-E191 HydrophobicContact CB-CG 4.46Å; P189-E191 WeakPolarHBondContact CB-OE1 3.42Å; P189-E191 WeakPolarHBondContact CB-OE2 3.49Å; P189-E191 PolarHBondContact O-N 3.5Å; P189-E191 VanDerWaalsContact O-N 3.16Å; P189-R192 CarbonylContact O-C 3.55Å; P189-R192 WeakPolarHBondContact O-CA 3.14Å; P189-R192 WeakPolarHBondContact O-CB 3.25Å; P189-R192 PolarHBondContact O-N 2.79Å; P189-L193 PolarHBondContact O-N 3.12Å
190S97.9Very high97.9Very high101 Ų10157.8 Ų57.871%0.70631%0.311SS*.G310 helixtrans-58-33.4-170.658.60000114V188 R192 L193V188-S190 PolarHBondContact O-N 2.94Å; S190-R192 PolarHBondContact O-N 3.38Å; S190-L193 PolarHBondContact O-N 3.21Å
191E97.8Very high97.8Very high146 Ų14658.1 Ų58.168%0.68232%0.317SS*.G310 helixtrans-68.1-19.8176.866.2-82.9-165.800113.2P189P189-E191 VanDerWaalsContact CB-CD 3.44Å; P189-E191 HydrophobicContact CB-CG 4.46Å; P189-E191 WeakPolarHBondContact CB-OE1 3.42Å; P189-E191 WeakPolarHBondContact CB-OE2 3.49Å; P189-E191 PolarHBondContact O-N 3.5Å; P189-E191 VanDerWaalsContact O-N 3.16Å
192R98.2Very high97.8Very high41 Ų4158.5 Ų58.516%0.15532%0.318CS..G310 helixtrans-105.6-1.1179.8-157.4178.7170.5-163.8-10.4112.1M97 Y100 P101 A103 V105 V188 P189 S190M97-R192 PolarHBondContact O-NH1 3.42Å; M97-R192 PolarHBondContact O-NH2 3.16Å; Y100-R192 PolarHBondContact O-NH2 2.96Å; P101-R192 PolarHBondContact O-NE 2.93Å; P101-R192 PolarHBondContact O-NH1 3.32Å; P101-R192 PolarHBondContact O-NH2 2.97Å; A103-R192 PolarHBondContact O-NE 2.89Å; A103-R192 PolarHBondContact O-NH2 2.99Å; V105-R192 PolarHBondContact N-O 3.02Å; V188-R192 HydrophobicContact CG1-CB 4.38Å; P189-R192 CarbonylContact O-C 3.55Å; P189-R192 WeakPolarHBondContact O-CA 3.14Å; P189-R192 WeakPolarHBondContact O-CB 3.25Å; P189-R192 PolarHBondContact O-N 2.79Å; S190-R192 PolarHBondContact O-N 3.38Å
193L98.9Very high97.8Very high21 Ų2158.3 Ų58.311%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-115.9129.9-176.3-177.164.2000112.2V105 L107 V184 I185 V188 P189 S190 I195V105-L193 HydrophobicContact CB-CD1 4.18Å; V105-L193 HydrophobicContact CG1-CD1 3.97Å; V105-L193 WeakPolarHBondContact O-CA 3.09Å; L107-L193 HydrophobicContact CB-CD1 4.04Å; V184-L193 HydrophobicContact CG1-CD1 4.48Å; I185-L193 HydrophobicContact CG1-CD2 4.36Å; V188-L193 HydrophobicContact CB-CB 4.18Å; V188-L193 HydrophobicContact CB-CD1 4.3Å; V188-L193 HydrophobicContact CB-CD2 4.31Å; V188-L193 HydrophobicContact CB-CG 4.5Å; V188-L193 HydrophobicContact CG1-CB 3.78Å; V188-L193 HydrophobicContact CG1-CD1 4.27Å; V188-L193 HydrophobicContact CG1-CG 4.48Å; P189-L193 PolarHBondContact O-N 3.12Å; S190-L193 PolarHBondContact O-N 3.21Å; L193-I195 HydrophobicContact CD2-CG1 4.2Å; L193-I195 HydrophobicContact CG-CG1 4.41Å
194L98.9Very high97.8Very high22 Ų2259.3 Ų59.312%0.11533%0.329CS..EExtended strand (participates in β ladder)trans-109.5124.8159.5174.467.3000109.9V105 I106 L107 H196 P204 L205 F208V105-L194 PolarHBondContact O-N 3.22Å; I106-L194 CarbonylContact C-O 3.48Å; I106-L194 WeakPolarHBondContact CA-O 3.17Å; I106-L194 HydrophobicContact CG1-CB 4.38Å; L107-L194 PolarHBondContact N-O 3.07Å; L194-H196 HydrophobicContact CD2-CB 4.33Å; L194-H196 HydrophobicContact CG-CB 4.32Å; L194-P204 HydrophobicContact CD1-CB 4.48Å; L194-L205 HydrophobicContact CD2-CD1 4.18Å; L194-F208 HydrophobicContact CB-CB 4.3Å; L194-F208 HydrophobicContact CB-CD1 3.4Å; L194-F208 HydrophobicContact CB-CD2 4.06Å; L194-F208 HydrophobicContact CB-CE1 3.5Å; L194-F208 HydrophobicContact CB-CE2 4.19Å; L194-F208 HydrophobicContact CB-CG 3.66Å; L194-F208 HydrophobicContact CB-CZ 3.92Å; L194-F208 HydrophobicContact CD1-CB 4.35Å; L194-F208 HydrophobicContact CD2-CB 3.92Å; L194-F208 HydrophobicContact CD2-CD1 3.84Å; L194-F208 HydrophobicContact CD2-CG 4.09Å; L194-F208 HydrophobicContact CG-CB 4.43Å; L194-F208 HydrophobicContact CG-CD1 4.21Å; L194-F208 HydrophobicContact CG-CG 4.31Å
195I98.8Very high97.8Very high64 Ų6459.3 Ų59.333%0.32833%0.329SS..EExtended strand (participates in β ladder)trans-87.6113.3164.3-57.4172.2000107.1I109 I185 L193I109-I195 HydrophobicContact CD1-CG2 3.39Å; I109-I195 HydrophobicContact CG1-CG2 3.81Å; I185-I195 HydrophobicContact CD1-CD1 3.83Å; I185-I195 HydrophobicContact CG1-CD1 3.87Å; I185-I195 HydrophobicContact CG1-CG1 4.32Å; I185-I195 HydrophobicContact CG2-CD1 4.45Å; L193-I195 HydrophobicContact CD2-CG1 4.2Å; L193-I195 HydrophobicContact CG-CG1 4.41Å
196H98.6Very high97.8Very high5 Ų555.9 Ų55.92%0.02331%0.311CS..EExtended strand (participates in β ladder)trans-111.5105.2-176.9-165.6-98.1000109.6I106 L107 T108 I109 L194 G201 Y219I106-H196 HydrophobicContact CG2-CB 3.93Å; L107-H196 PolarHBondContact O-N 3.48Å; T108-H196 VanDerWaalsContact CA-O 3.25Å; T108-H196 WeakPolarHBondContact CA-O 3.34Å; T108-H196 HydrophobicContact CG2-CB 4.29Å; I109-H196 PolarHBondContact N-O 3.15Å; I109-H196 VanDerWaalsContact N-O 3.08Å; L194-H196 HydrophobicContact CD2-CB 4.33Å; L194-H196 HydrophobicContact CG-CB 4.32Å; H196-G201 PolarHBondContact NE2-O 2.65Å; H196-Y219 AromaticContact CE1-CZ 3.84Å
197K97.4Very high97.8Very high121 Ų12158.3 Ų58.353%0.52632%0.315SS..EExtended strand (participates in β ladder)trans-77.4145.3179.4-60.5173.2-175.9175.60109.3I109 G199 D200I109-K197 HydrophobicContact CD1-CG 3.94Å; I109-K197 HydrophobicContact CG1-CB 4.47Å; I109-K197 HydrophobicContact CG1-CG 3.8Å; I109-K197 WeakPolarHBondContact O-CA 3.14Å; K197-G199 PolarHBondContact O-N 3.12Å; K197-D200 PolarHBondContact N-OD2 2.74Å; K197-D200 VanDerWaalsContact O-CB 3.27Å; K197-D200 WeakPolarHBondContact O-CB 3.28Å; K197-D200 PolarHBondContact O-N 2.71Å
198L92.8Very high97.8Very high78 Ų7857.4 Ų57.441%0.40831%0.306SS..THydrogen-bonded Turntrans-56.8114.7174.8-165.772.2000110.1I109 R110I109-L198 PolarHBondContact O-N 2.93Å; R110-L198 HydrophobicContact CB-CB 4.19Å
199G92.8Very high97.8Very high75 Ų7557.7 Ų57.777%0.77331%0.308SS*.THydrogen-bonded Turntrans110.4-10.9-175.700000115.2K197 G201K197-G199 PolarHBondContact O-N 3.12Å; G199-G201 PolarHBondContact O-N 2.89Å
200D97.1Very high97.7Very high65 Ų6561.8 Ų61.835%0.34833%0.327SS..  trans-63-27.2-179-82.1-0.8000113.7K197 P204K197-D200 PolarHBondContact N-OD2 2.74Å; K197-D200 VanDerWaalsContact O-CB 3.27Å; K197-D200 WeakPolarHBondContact O-CB 3.28Å; K197-D200 PolarHBondContact O-N 2.71Å; D200-P204 HydrophobicContact CB-CG 3.78Å; D200-P204 WeakPolarHBondContact O-CD 3.24Å
201G97.6Very high97.7Very high15 Ų1559.3 Ų59.316%0.15531%0.307CS..  trans69.7-155173.700000114.6H196 G199H196-G201 PolarHBondContact NE2-O 2.65Å; G199-G201 PolarHBondContact O-N 2.89Å
202W98.7Very high97.8Very high21 Ų2159.4 Ų59.48%0.0831%0.312CS..Hα-helixtrans-72.1-41.2-172.3-74128.3000114.3A26 I29 I30 L205 C206 I213 P214 I217 Y219A26-W202 HydrophobicContact CB-CH2 3.67Å; A26-W202 HydrophobicContact CB-CZ3 3.63Å; I29-W202 HydrophobicContact CB-CH2 4.14Å; I29-W202 HydrophobicContact CD1-CH2 4.21Å; I29-W202 HydrophobicContact CD1-CZ2 4.24Å; I29-W202 HydrophobicContact CG2-CH2 4.05Å; I29-W202 HydrophobicContact CG2-CZ2 4.34Å; I30-W202 HydrophobicContact CD1-CE3 4.28Å; I30-W202 HydrophobicContact CD1-CZ3 3.69Å; I30-W202 HydrophobicContact CG1-CH2 4.49Å; I30-W202 HydrophobicContact CG1-CZ3 3.86Å; W202-L205 HydrophobicContact CE3-CD2 4.17Å; W202-L205 HydrophobicContact CZ3-CD2 4.17Å; W202-L205 WeakPolarHBondContact O-CB 3.28Å; W202-L205 PolarHBondContact O-N 3.08Å; W202-L205 VanDerWaalsContact O-N 3.13Å; W202-C206 WeakPolarHBondContact O-CB 3.49Å; W202-C206 PolarHBondContact O-N 2.68Å; W202-I213 HydrophobicContact CB-CD1 4.42Å; W202-I213 HydrophobicContact CB-CG1 4.23Å; W202-I213 HydrophobicContact CB-CG2 3.84Å; W202-I213 HydrophobicContact CG-CG2 4.02Å; W202-P214 HydrophobicContact CD2-CG 4.41Å; W202-P214 HydrophobicContact CE3-CG 4.34Å; W202-P214 HydrophobicContact CH2-CG 3.88Å; W202-P214 HydrophobicContact CZ2-CB 4.46Å; W202-P214 HydrophobicContact CZ2-CG 3.95Å; W202-P214 HydrophobicContact CZ3-CG 4.08Å; W202-I217 HydrophobicContact CZ2-CG2 4.32Å; W202-I217 PolarHBondContact NE1-O 2.87Å; W202-Y219 AromaticContact CD2-CD2 3.69Å; W202-Y219 HydrophobicContact CD2-CD2 3.69Å; W202-Y219 AromaticContact CE2-CD2 3.99Å; W202-Y219 AromaticContact CE3-CD2 3.83Å; W202-Y219 HydrophobicContact CE3-CD2 3.83Å; W202-Y219 HydrophobicContact CE3-CE2 4.29Å; W202-Y219 HydrophobicContact CG-CD2 4.09Å; W202-Y219 HydrophobicContact CZ2-CD2 4.39Å; W202-Y219 HydrophobicContact CZ3-CD2 4.24Å; W202-Y219 HydrophobicContact CZ3-CE2 4.47Å; W202-Y219 VanDerWaalsContact NE1-N 3.13Å
203E98.3Very high97.8Very high116 Ų11661.4 Ų61.454%0.54233%0.325SS..Hα-helixtrans-57.7-53.4-165.4-172.5-175.2171.500113.9L205 R207 I213E203-L205 VanDerWaalsContact C-N 3.31Å; E203-L205 PolarHBondContact O-N 2.62Å; E203-R207 WeakPolarHBondContact O-CB 3.16Å; E203-R207 PolarHBondContact O-N 2.85Å; E203-R207 VanDerWaalsContact O-N 3.1Å; E203-R207 IonicContact OE1-CZ 2.79Å; E203-R207 IonicContact OE1-NH2 3.99Å; E203-R207 PolarHBondContact OE1-NH2 3.16Å; E203-I213 HydrophobicContact CB-CD1 4.33Å
204P98.5Very high97.7Very high38 Ų3861.5 Ų61.525%0.24733%0.327CS..Hα-helixtrans-67.5-33.3177.724.6-31.5000112.4L194 D200 F208L194-P204 HydrophobicContact CD1-CB 4.48Å; D200-P204 HydrophobicContact CB-CG 3.78Å; D200-P204 WeakPolarHBondContact O-CD 3.24Å; P204-F208 VanDerWaalsContact O-CB 3.24Å; P204-F208 WeakPolarHBondContact O-CB 3.12Å; P204-F208 PolarHBondContact O-N 3.21Å
205L98.7Very high97.7Very high0 Ų069.4 Ų69.40%036%0.363CS..Hα-helixtrans-65-56.6178.7177.962.3000111.5L23 A26 I30 I106 L194 W202 E203 R207 F208 L209 Y219L23-L205 HydrophobicContact CD1-CD1 4.2Å; L23-L205 HydrophobicContact CD1-CD2 4.14Å; A26-L205 HydrophobicContact CB-CD2 4.05Å; I30-L205 HydrophobicContact CD1-CD2 4.11Å; I30-L205 HydrophobicContact CD1-CG 4.31Å; I106-L205 HydrophobicContact CD1-CD1 3.36Å; L194-L205 HydrophobicContact CD2-CD1 4.18Å; W202-L205 HydrophobicContact CE3-CD2 4.17Å; W202-L205 HydrophobicContact CZ3-CD2 4.17Å; W202-L205 WeakPolarHBondContact O-CB 3.28Å; W202-L205 PolarHBondContact O-N 3.08Å; W202-L205 VanDerWaalsContact O-N 3.13Å; E203-L205 VanDerWaalsContact C-N 3.31Å; E203-L205 PolarHBondContact O-N 2.62Å; L205-R207 VanDerWaalsContact C-N 3.35Å; L205-R207 PolarHBondContact O-N 3.26Å; L205-F208 PolarHBondContact O-N 3.33Å; L205-L209 HydrophobicContact CD1-CD1 3.66Å; L205-L209 HydrophobicContact CD1-CG 4.15Å; L205-L209 HydrophobicContact CG-CD1 4.03Å; L205-L209 WeakPolarHBondContact O-CB 3.46Å; L205-L209 WeakPolarHBondContact O-CG 3.13Å; L205-L209 PolarHBondContact O-N 3.38Å; L205-Y219 HydrophobicContact CD2-CE2 3.87Å
206C98.7Very high97.6Very high2 Ų270.7 Ų70.71%0.01439%0.393CS..Hα-helixtrans-63.3-41.1-178.2-70.30000111.4W202 F208 L209 N210 V211 I213W202-C206 WeakPolarHBondContact O-CB 3.49Å; W202-C206 PolarHBondContact O-N 2.68Å; C206-F208 PolarHBondContact O-N 3.01Å; C206-L209 CarbonylContact O-C 3.6Å; C206-L209 PolarHBondContact O-N 2.91Å; C206-N210 PolarHBondContact O-N 3.23Å; C206-V211 HydrophobicContact CB-CG2 4.05Å; C206-V211 WeakPolarHBondContact CB-O 3.47Å; C206-V211 PolarHBondContact O-N 3.48Å; C206-V211 VanDerWaalsContact O-N 3.09Å; C206-I213 HydrophobicContact CB-CG1 3.85Å
207R98.5Very high97.6Very high176 Ų17674.3 Ų74.366%0.66441%0.411SS*.Hα-helixtrans-59.3-47.4174.7-173.6-171.6-55.3-164.71.2111.6E203 L205 L209 N210E203-R207 WeakPolarHBondContact O-CB 3.16Å; E203-R207 PolarHBondContact O-N 2.85Å; E203-R207 VanDerWaalsContact O-N 3.1Å; E203-R207 IonicContact OE1-CZ 2.79Å; E203-R207 IonicContact OE1-NH2 3.99Å; E203-R207 PolarHBondContact OE1-NH2 3.16Å; L205-R207 VanDerWaalsContact C-N 3.35Å; L205-R207 PolarHBondContact O-N 3.26Å; R207-L209 VanDerWaalsContact C-N 3.35Å; R207-N210 PolarHBondContact O-N 3.14Å
208F98.7Very high97.6Very high36 Ų3673.3 Ų73.316%0.15842%0.42CS..Hα-helixtrans-65-39.6178.9175.3-113.8000112K104 I106 L194 P204 L205 C206 N210K104-F208 HydrophobicContact CB-CE1 3.58Å; K104-F208 HydrophobicContact CB-CZ 3.79Å; K104-F208 HydrophobicContact CD-CD1 4.22Å; K104-F208 HydrophobicContact CD-CE1 3.88Å; K104-F208 HydrophobicContact CD-CE2 4.39Å; K104-F208 HydrophobicContact CD-CZ 3.96Å; K104-F208 HydrophobicContact CG-CE1 4.15Å; K104-F208 HydrophobicContact CG-CZ 4.05Å; K104-F208 PolarHBondContact NZ-O 3.04Å; I106-F208 HydrophobicContact CG1-CD1 4.46Å; I106-F208 HydrophobicContact CG1-CE1 4.15Å; L194-F208 HydrophobicContact CB-CB 4.3Å; L194-F208 HydrophobicContact CB-CD1 3.4Å; L194-F208 HydrophobicContact CB-CD2 4.06Å; L194-F208 HydrophobicContact CB-CE1 3.5Å; L194-F208 HydrophobicContact CB-CE2 4.19Å; L194-F208 HydrophobicContact CB-CG 3.66Å; L194-F208 HydrophobicContact CB-CZ 3.92Å; L194-F208 HydrophobicContact CD1-CB 4.35Å; L194-F208 HydrophobicContact CD2-CB 3.92Å; L194-F208 HydrophobicContact CD2-CD1 3.84Å; L194-F208 HydrophobicContact CD2-CG 4.09Å; L194-F208 HydrophobicContact CG-CB 4.43Å; L194-F208 HydrophobicContact CG-CD1 4.21Å; L194-F208 HydrophobicContact CG-CG 4.31Å; P204-F208 VanDerWaalsContact O-CB 3.24Å; P204-F208 WeakPolarHBondContact O-CB 3.12Å; P204-F208 PolarHBondContact O-N 3.21Å; L205-F208 PolarHBondContact O-N 3.33Å; C206-F208 PolarHBondContact O-N 3.01Å; F208-N210 VanDerWaalsContact C-N 3.28Å; F208-N210 PolarHBondContact O-N 3.17Å
209L98.3Very high97.8Very high12 Ų1272 Ų726%0.06341%0.41CS..Hα-helixtrans-77.4-12.6178.8-65179.4000113.4V10 L27 I30 Y31 K104 I106 L205 C206 R207 V211V10-L209 HydrophobicContact CG2-CD1 4.44Å; V10-L209 HydrophobicContact CG2-CD2 3.67Å; L27-L209 HydrophobicContact CD2-CD1 3.84Å; I30-L209 HydrophobicContact CD1-CD1 4.01Å; Y31-L209 HydrophobicContact CE2-CD1 4.28Å; K104-L209 HydrophobicContact CB-CD2 4.31Å; K104-L209 HydrophobicContact CD-CD2 3.99Å; I106-L209 HydrophobicContact CD1-CD2 4.47Å; L205-L209 HydrophobicContact CD1-CD1 3.66Å; L205-L209 HydrophobicContact CD1-CG 4.15Å; L205-L209 HydrophobicContact CG-CD1 4.03Å; L205-L209 WeakPolarHBondContact O-CB 3.46Å; L205-L209 WeakPolarHBondContact O-CG 3.13Å; L205-L209 PolarHBondContact O-N 3.38Å; C206-L209 CarbonylContact O-C 3.6Å; C206-L209 PolarHBondContact O-N 2.91Å; R207-L209 VanDerWaalsContact C-N 3.35Å; L209-V211 HydrophobicContact CB-CG2 4Å
210N97.8Very high98Very high143 Ų14369.1 Ų69.177%0.76538%0.378SS*.THydrogen-bonded Turntrans6050.5-175.2-166.655.8000112.4C206 R207 F208C206-N210 PolarHBondContact O-N 3.23Å; R207-N210 PolarHBondContact O-N 3.14Å; F208-N210 VanDerWaalsContact C-N 3.28Å; F208-N210 PolarHBondContact O-N 3.17Å
211V97.9Very high97.8Very high48 Ų4874.6 Ų74.629%0.29140%0.395SS..  trans-131.9161.2177-620000109.7I30 C206 L209I30-V211 HydrophobicContact CD1-CG2 4.24Å; I30-V211 HydrophobicContact CG1-CG2 4.45Å; I30-V211 HydrophobicContact CG2-CB 4.29Å; I30-V211 HydrophobicContact CG2-CG1 4.13Å; I30-V211 HydrophobicContact CG2-CG2 3.82Å; C206-V211 HydrophobicContact CB-CG2 4.05Å; C206-V211 WeakPolarHBondContact CB-O 3.47Å; C206-V211 PolarHBondContact O-N 3.48Å; C206-V211 VanDerWaalsContact O-N 3.09Å; L209-V211 HydrophobicContact CB-CG2 4Å
212D98.1Very high97.6Very high149 Ų14976.9 Ų76.980%0.79740%0.403SS*.PPolyproline II helixtrans-71.2153.5174.7-62.9-46.1000111.7
213I98.5Very high97.1Very high83 Ų8379.6 Ų79.643%0.42642%0.419SS..PPolyproline II helixtrans-71.1129.1170.4-65.2176.6000108W202 E203 C206 E215W202-I213 HydrophobicContact CB-CD1 4.42Å; W202-I213 HydrophobicContact CB-CG1 4.23Å; W202-I213 HydrophobicContact CB-CG2 3.84Å; W202-I213 HydrophobicContact CG-CG2 4.02Å; E203-I213 HydrophobicContact CB-CD1 4.33Å; C206-I213 HydrophobicContact CB-CG1 3.85Å; I213-E215 PolarHBondContact O-N 2.64Å; I213-E215 VanDerWaalsContact O-N 3.15Å
214P98.3Very high96.2Very high23 Ų2377.8 Ų77.815%0.14942%0.415CS..PPolyproline II helixtrans-57.8118.8178.1-26.636000112.2I29 I30 W202 G216 I217I29-P214 HydrophobicContact CG2-CB 3.85Å; I29-P214 HydrophobicContact CG2-CG 3.71Å; I30-P214 HydrophobicContact CG1-CG 4.36Å; W202-P214 HydrophobicContact CD2-CG 4.41Å; W202-P214 HydrophobicContact CE3-CG 4.34Å; W202-P214 HydrophobicContact CH2-CG 3.88Å; W202-P214 HydrophobicContact CZ2-CB 4.46Å; W202-P214 HydrophobicContact CZ2-CG 3.95Å; W202-P214 HydrophobicContact CZ3-CG 4.08Å; P214-G216 PolarHBondContact O-N 3.4Å; P214-I217 HydrophobicContact CB-CB 4.17Å; P214-I217 HydrophobicContact CB-CD1 4.13Å
215E97.5Very high95.1Very high187 Ų18779.8 Ų79.887%0.87442%0.418SS*.THydrogen-bonded Turntrans-65.9133.1-177.4-68.9-171170.100111.8I213 I217I213-E215 PolarHBondContact O-N 2.64Å; I213-E215 VanDerWaalsContact O-N 3.15Å; E215-I217 PolarHBondContact O-N 3.39Å; E215-I217 VanDerWaalsContact O-N 3.17Å
216G97.2Very high93.1Very high92 Ų9292.2 Ų92.295%0.94847%0.472SS*.THydrogen-bonded Turntrans70.36.5175.200000115.4P214P214-G216 PolarHBondContact O-N 3.4Å
217I97.6Very high92.8Very high80 Ų8096.8 Ų96.841%0.4150%0.495SS..  trans-114.5117.6-177.6-59.2171.9000109.7I29 W202 P214 E215I29-I217 HydrophobicContact CD1-CG2 4.11Å; I29-I217 HydrophobicContact CG2-CD1 4.07Å; W202-I217 HydrophobicContact CZ2-CG2 4.32Å; W202-I217 PolarHBondContact NE1-O 2.87Å; P214-I217 HydrophobicContact CB-CB 4.17Å; P214-I217 HydrophobicContact CB-CD1 4.13Å; E215-I217 PolarHBondContact O-N 3.39Å; E215-I217 VanDerWaalsContact O-N 3.17Å
218S97.4Very high92.5Very high101 Ų10192.6 Ų92.671%0.70649%0.486SS*.PPolyproline II helixtrans-67.7146171.158.10000111.2
219Y98Very high92.1Very high49 Ų4995.7 Ų95.719%0.19250%0.504CS..PPolyproline II helixtrans-56.6134.8175-172.9-90.9000110.3A26 H196 W202 L205 Y221A26-Y219 HydrophobicContact CB-CD2 4.25Å; A26-Y219 HydrophobicContact CB-CE2 3.59Å; H196-Y219 AromaticContact CE1-CZ 3.84Å; W202-Y219 AromaticContact CD2-CD2 3.69Å; W202-Y219 HydrophobicContact CD2-CD2 3.69Å; W202-Y219 AromaticContact CE2-CD2 3.99Å; W202-Y219 AromaticContact CE3-CD2 3.83Å; W202-Y219 HydrophobicContact CE3-CD2 3.83Å; W202-Y219 HydrophobicContact CE3-CE2 4.29Å; W202-Y219 HydrophobicContact CG-CD2 4.09Å; W202-Y219 HydrophobicContact CZ2-CD2 4.39Å; W202-Y219 HydrophobicContact CZ3-CD2 4.24Å; W202-Y219 HydrophobicContact CZ3-CE2 4.47Å; W202-Y219 VanDerWaalsContact NE1-N 3.13Å; L205-Y219 HydrophobicContact CD2-CE2 3.87Å; Y219-Y221 PolarHBondContact O-N 2.83Å
220P97.4Very high91.8Very high16 Ų16100.6 Ų100.610%0.10453%0.53CS..PPolyproline II helixtrans-56.4131.3-178.3-27.135.5000112.6S22 N25 A26 I29S22-P220 VanDerWaalsContact CB-O 3.27Å; S22-P220 WeakPolarHBondContact CB-O 3.18Å; S22-P220 PolarHBondContact OG-O 2.85Å; N25-P220 HydrophobicContact CB-CB 3.99Å; N25-P220 HydrophobicContact CB-CG 3.82Å; A26-P220 HydrophobicContact CB-CG 4.24Å; I29-P220 HydrophobicContact CD1-CG 3.99Å
221Y93.4Very high91.4Very high180 Ų18098 Ų9871%0.70652%0.516SS*.  trans-126.384.8172.2-174.2-112.6000108.8Y219 V224Y219-Y221 PolarHBondContact O-N 2.83Å; Y221-V224 HydrophobicContact CD1-CG1 3.91Å; Y221-V224 HydrophobicContact CD2-CG1 4.29Å; Y221-V224 HydrophobicContact CE1-CG1 3.49Å; Y221-V224 VanDerWaalsContact CE1-CG1 3.49Å; Y221-V224 HydrophobicContact CE2-CG1 3.9Å; Y221-V224 HydrophobicContact CG-CG1 4.3Å; Y221-V224 VanDerWaalsContact CZ-CG1 3.47Å
222I92.7Very high91Very high62 Ų62101.3 Ų101.332%0.31853%0.531SS..  trans-133.7167.5-171.461.3170.5000111.9K21 S22 N25 V224K21-I222 HydrophobicContact CB-CD1 4.5Å; K21-I222 HydrophobicContact CG-CD1 3.7Å; K21-I222 HydrophobicContact CG-CG1 4.22Å; S22-I222 WeakPolarHBondContact OG-CG1 3.45Å; S22-I222 PolarHBondContact OG-N 3.31Å; S22-I222 VanDerWaalsContact OG-N 3.13Å; S22-I222 PolarHBondContact OG-O 3.48Å; N25-I222 HydrophobicContact CB-CD1 4.22Å; N25-I222 VanDerWaalsContact ND2-CD1 3.33Å; N25-I222 WeakPolarHBondContact ND2-CD1 3.37Å; I222-V224 PolarHBondContact O-N 3.01Å
223N87.3Confident90.5Very high79 Ų7997.9 Ų97.942%0.42251%0.512SS..SBendtrans60.834.3-177.5-161.88.8000112.6R17 K21R17-N223 PolarHBondContact NH1-ND2 3.45Å; R17-N223 PolarHBondContact NH1-OD1 2.79Å; R17-N223 PolarHBondContact NH2-O 2.93Å; K21-N223 HydrophobicContact CB-CB 4.02Å; K21-N223 HydrophobicContact CG-CB 4.3Å
224V81Confident89.9Confident77 Ų7799.1 Ų99.147%0.46752%0.518SS..  trans-75.7156177.9-620000111Y221 I222Y221-V224 HydrophobicContact CD1-CG1 3.91Å; Y221-V224 HydrophobicContact CD2-CG1 4.29Å; Y221-V224 HydrophobicContact CE1-CG1 3.49Å; Y221-V224 VanDerWaalsContact CE1-CG1 3.49Å; Y221-V224 HydrophobicContact CE2-CG1 3.9Å; Y221-V224 HydrophobicContact CG-CG1 4.3Å; Y221-V224 VanDerWaalsContact CZ-CG1 3.47Å; I222-V224 PolarHBondContact O-N 3.01Å
225R74.4Confident89.2Confident80 Ų80105.4 Ų105.430%0.30255%0.549SS..  trans-64.4142.6171.8-57.6-175.3-162.6169.99.1109.2D114 S117 S118D114-R225 PolarHBondContact O-NH2 3.14Å; S117-R225 PolarHBondContact OG-NH1 3.37Å; S118-R225 VanDerWaalsContact CB-NE 3.28Å; S118-R225 VanDerWaalsContact N-NH2 3.15Å
226K56.2Low88.4Confident262 Ų26298 Ų98100%1.13952%0.52SS*.  trans-76.10162.9-76.9-172.6179.1178.70109.8

Retrieved 226 of 226 residues in 394.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).