A0A5K4F2N5_SCHMA Loading...

DNK domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2N5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 209 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
1M95.4Very high97.2Very high20 Ų209.5 Ų9.510%0.0997%0.067CC..  01440-65.8177.5-4.700109.4E3 L80 S83 V124 L126 I127 V128M1-E3 WeakPolarHBondContact CE-OE1 3.49Å; M1-L80 HydrophobicContact CG-CB 4.44Å; M1-L80 HydrophobicContact CG-CD1 4.26Å; M1-S83 WeakPolarHBondContact CE-OG 3.21Å; M1-S83 WeakPolarHBondContact SD-CB 3.38Å; M1-V124 HydrophobicContact CB-CG1 4.42Å; M1-V124 HydrophobicContact CE-CG1 4.35Å; M1-V124 HydrophobicContact CE-CG2 4.42Å; M1-V124 HydrophobicContact CG-CG1 3.85Å; M1-V124 HydrophobicContact CG-CG2 4.2Å; M1-V124 HydrophobicContact SD-CB 4.27Å; M1-V124 HydrophobicContact SD-CG1 3.82Å; M1-V124 HydrophobicContact SD-CG2 3.36Å; M1-V124 WeakPolarHBondContact SD-CG2 3.23Å; M1-L126 PolarHBondContact N-O 2.67Å; M1-I127 HydrophobicContact CE-CG1 4.41Å; M1-V128 PolarHBondContact O-N 2.89Å
2V98.3Very high97.2Very high1 Ų113.3 Ų13.31%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-114.2113.4179.8-174.40000109.3K10 F13 L14 L80 R82 V128 L130V2-K10 HydrophobicContact CG1-CB 4.34Å; V2-K10 HydrophobicContact CG1-CG 4.14Å; V2-F13 HydrophobicContact CG1-CD1 3.9Å; V2-F13 HydrophobicContact CG1-CE1 4.29Å; V2-F13 HydrophobicContact CG2-CD1 3.87Å; V2-F13 HydrophobicContact CG2-CE1 3.69Å; V2-L14 HydrophobicContact CB-CD2 4.26Å; V2-L14 HydrophobicContact CG2-CD2 3.61Å; V2-L14 HydrophobicContact CG2-CG 4.31Å; V2-L80 PolarHBondContact N-O 3.21Å; V2-R82 PolarHBondContact O-N 2.9Å; V2-V128 CarbonylContact C-O 3.55Å; V2-V128 WeakPolarHBondContact CA-O 3.14Å; V2-V128 HydrophobicContact CG2-CB 4.33Å; V2-L130 HydrophobicContact CG1-CD1 3.79Å; V2-L130 HydrophobicContact CG1-CG 3.95Å
3E98.4Very high97.2Very high0 Ų012.2 Ų12.20%08%0.083CC..EExtended strand (participates in β ladder)trans-112.2158.3-174-62.6-63.5176.500111.8M1 R82 S83 S86 I127 V128 L130 W167 L168M1-E3 WeakPolarHBondContact CE-OE1 3.49Å; E3-R82 WeakPolarHBondContact OE2-CA 3.42Å; E3-S83 VanDerWaalsContact OE1-CB 3.26Å; E3-S83 WeakPolarHBondContact OE1-CB 3.41Å; E3-S83 PolarHBondContact OE1-N 3.22Å; E3-S83 PolarHBondContact OE1-OG 3.34Å; E3-S86 WeakPolarHBondContact OE2-CB 3.35Å; E3-S86 PolarHBondContact OE2-OG 3.13Å; E3-I127 HydrophobicContact CB-CG2 4.48Å; E3-I127 HydrophobicContact CG-CG2 3.99Å; E3-V128 PolarHBondContact N-O 3.27Å; E3-L130 PolarHBondContact O-N 3.49Å; E3-W167 HydrophobicContact CG-CH2 3.98Å; E3-W167 HydrophobicContact CG-CZ3 4.1Å; E3-L168 HydrophobicContact CB-CD1 3.99Å
4G98.3Very high97.3Very high0 Ų011.4 Ų11.40%08%0.077CC..  trans148.7171.6174.500000113.7K10 R82 H164G4-K10 PolarHBondContact O-NZ 2.89Å; G4-R82 PolarHBondContact O-NH1 3.03Å; G4-R82 PolarHBondContact O-NH2 3.29Å; G4-H164 PolarHBondContact O-NE2 3.5Å
5N98.1Very high97.3Very high2 Ų219 Ų191%0.01110%0.104CC..  trans-64.4165.6-174-151.4-12.5000112.8G7 C8 K10 L157 L160N5-G7 PolarHBondContact O-N 3.35Å; N5-C8 PolarHBondContact O-N 3.46Å; N5-C8 PolarHBondContact O-SG 3.3Å; N5-K10 PolarHBondContact O-NZ 3.06Å; N5-L157 PolarHBondContact ND2-O 3.44Å; N5-L160 WeakPolarHBondContact OD1-CB 3.47Å
6I96.4Very high97.3Very high10 Ų1019.4 Ų19.45%0.05110%0.104CC..THydrogen-bonded Turntrans-60.4137.1169.3-54.1174000107.7C8 Y47 C137 L141 I152 Y156 L157 L160I6-C8 VanDerWaalsContact C-N 3.27Å; I6-C8 PolarHBondContact O-N 3.06Å; I6-Y47 WeakPolarHBondContact CD1-OH 3.48Å; I6-C137 WeakPolarHBondContact O-CB 3.39Å; I6-L141 HydrophobicContact CG2-CD1 3.77Å; I6-I152 HydrophobicContact CD1-CD1 4.43Å; I6-Y156 HydrophobicContact CD1-CE1 3.91Å; I6-L157 HydrophobicContact CB-CD2 3.87Å; I6-L157 HydrophobicContact CD1-CD2 4.4Å; I6-L157 HydrophobicContact CG1-CD2 4.48Å; I6-L160 HydrophobicContact CD1-CD1 3.97Å; I6-L160 HydrophobicContact CG1-CD1 4.25Å
7G96Very high97.3Very high12 Ų1218.3 Ų18.312%0.12410%0.097CC..THydrogen-bonded Turntrans77.6-4.2-178.800000116.2N5 G9 R140N5-G7 PolarHBondContact O-N 3.35Å; G7-G9 VanDerWaalsContact C-N 3.27Å; G7-G9 PolarHBondContact O-N 3.27Å; G7-R140 WeakPolarHBondContact O-CB 3.38Å; G7-R140 WeakPolarHBondContact O-CD 3.21Å
8C97.7Very high97.3Very high1 Ų122.3 Ų22.31%0.00712%0.116CC..SBendtrans-70.7-17.1-176.875.40000115.1N5 I6 A132 R140N5-C8 PolarHBondContact O-N 3.46Å; N5-C8 PolarHBondContact O-SG 3.3Å; I6-C8 VanDerWaalsContact C-N 3.27Å; I6-C8 PolarHBondContact O-N 3.06Å; C8-A132 HydrophobicContact CB-CB 4.04Å; C8-R140 PolarHBondContact O-NH1 3.22Å; C8-R140 VanDerWaalsContact O-NH1 3.12Å
9G97Very high97.2Very high20 Ų2029.1 Ų29.121%0.20615%0.147CC..SBendtrans111.813.8176.400000116.4G7 S11 T12 F13G7-G9 VanDerWaalsContact C-N 3.27Å; G7-G9 PolarHBondContact O-N 3.27Å; G9-S11 PolarHBondContact O-N 3.41Å; G9-T12 WeakPolarHBondContact O-CA 3.33Å; G9-T12 WeakPolarHBondContact O-CB 3.45Å; G9-T12 PolarHBondContact O-N 3.17Å; G9-F13 PolarHBondContact O-N 3.31Å
10K98Very high97.1Very high10 Ų1030.1 Ų30.14%0.04315%0.152CC..Hα-helixtrans-48.1-53.8178.6-64.3-175.2-67.2-71.10113.9V2 G4 N5 T12 F13 L14 E81 R82 L130V2-K10 HydrophobicContact CG1-CB 4.34Å; V2-K10 HydrophobicContact CG1-CG 4.14Å; G4-K10 PolarHBondContact O-NZ 2.89Å; N5-K10 PolarHBondContact O-NZ 3.06Å; K10-T12 PolarHBondContact O-N 3.19Å; K10-F13 WeakPolarHBondContact O-CB 3.31Å; K10-F13 PolarHBondContact O-N 3.36Å; K10-L14 WeakPolarHBondContact O-CB 3.38Å; K10-L14 VanDerWaalsContact O-CG 3.29Å; K10-L14 WeakPolarHBondContact O-CG 3.41Å; K10-L14 PolarHBondContact O-N 3.31Å; K10-E81 HydrophobicContact CB-CG 3.99Å; K10-E81 WeakPolarHBondContact CB-OE1 3.35Å; K10-E81 HydrophobicContact CD-CG 4.18Å; K10-R82 HydrophobicContact CD-CG 4.32Å; K10-R82 VanDerWaalsContact NZ-NH2 3.17Å; K10-L130 HydrophobicContact CB-CD1 4.4Å; K10-L130 HydrophobicContact CG-CD1 4.1Å
11S96Very high97.1Very high28 Ų2828.7 Ų28.720%0.19615%0.145CC..Hα-helixtrans-63.3-31-178.4-31.80000112.2G9 R15 E81G9-S11 PolarHBondContact O-N 3.41Å; S11-R15 WeakPolarHBondContact O-CB 3.29Å; S11-R15 PolarHBondContact O-N 2.94Å; S11-E81 PolarHBondContact N-OE1 3.05Å; S11-E81 PolarHBondContact OG-OE1 2.93Å
12T96.6Very high97.1Very high55 Ų5532.8 Ų32.834%0.33717%0.173SC..Hα-helixtrans-69.5-46.8174.5-56.10000111.5G9 K10 L14 R15 Y16 L189G9-T12 WeakPolarHBondContact O-CA 3.33Å; G9-T12 WeakPolarHBondContact O-CB 3.45Å; G9-T12 PolarHBondContact O-N 3.17Å; K10-T12 PolarHBondContact O-N 3.19Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-L14 PolarHBondContact O-N 3.22Å; T12-R15 PolarHBondContact O-N 3.45Å; T12-Y16 PolarHBondContact O-N 3.17Å; T12-L189 HydrophobicContact CG2-CD1 3.67Å; T12-L189 HydrophobicContact CG2-CD2 4.44Å
13F98.3Very high97Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-57-48.6174.1175.5-86.5000111.3V2 G9 K10 R15 Y16 F17 L79 V128 L130 F183 Y196 V203V2-F13 HydrophobicContact CG1-CD1 3.9Å; V2-F13 HydrophobicContact CG1-CE1 4.29Å; V2-F13 HydrophobicContact CG2-CD1 3.87Å; V2-F13 HydrophobicContact CG2-CE1 3.69Å; G9-F13 PolarHBondContact O-N 3.31Å; K10-F13 WeakPolarHBondContact O-CB 3.31Å; K10-F13 PolarHBondContact O-N 3.36Å; F13-R15 PolarHBondContact O-N 3.34Å; F13-Y16 WeakPolarHBondContact O-CB 3.4Å; F13-Y16 PolarHBondContact O-N 2.83Å; F13-F17 HydrophobicContact CD1-CD2 4.09Å; F13-F17 HydrophobicContact CD1-CE2 4.49Å; F13-F17 HydrophobicContact CD2-CD2 4.31Å; F13-F17 HydrophobicContact CD2-CE2 4.05Å; F13-F17 AromaticContact CE1-CD2 3.7Å; F13-F17 HydrophobicContact CE1-CD2 3.7Å; F13-F17 AromaticContact CE1-CE2 3.9Å; F13-F17 HydrophobicContact CE1-CE2 3.9Å; F13-F17 AromaticContact CE2-CD2 3.97Å; F13-F17 HydrophobicContact CE2-CD2 3.97Å; F13-F17 AromaticContact CE2-CE2 3.41Å; F13-F17 HydrophobicContact CE2-CE2 3.41Å; F13-F17 VanDerWaalsContact CE2-CE2 3.41Å; F13-F17 HydrophobicContact CE2-CZ 4.4Å; F13-F17 HydrophobicContact CG-CD2 4.38Å; F13-F17 AromaticContact CZ-CD2 3.64Å; F13-F17 HydrophobicContact CZ-CD2 3.64Å; F13-F17 AromaticContact CZ-CE2 3.31Å; F13-F17 HydrophobicContact CZ-CE2 3.31Å; F13-F17 HydrophobicContact CZ-CZ 4.19Å; F13-F17 WeakPolarHBondContact O-CD2 3.49Å; F13-F17 PolarHBondContact O-N 3.04Å; F13-F17 VanDerWaalsContact O-N 3.12Å; F13-L79 HydrophobicContact CE1-CD2 4Å; F13-V128 HydrophobicContact CE1-CG1 4.18Å; F13-V128 HydrophobicContact CE2-CG1 4.13Å; F13-V128 HydrophobicContact CZ-CG1 3.73Å; F13-V128 HydrophobicContact CZ-CG2 4.42Å; F13-L130 HydrophobicContact CB-CD1 3.63Å; F13-L130 HydrophobicContact CD2-CD1 4.35Å; F13-L130 HydrophobicContact CD2-CD2 3.84Å; F13-L130 HydrophobicContact CE2-CD2 4.16Å; F13-L130 HydrophobicContact CG-CD1 3.98Å; F13-L130 HydrophobicContact CG-CD2 4.22Å; F13-F183 HydrophobicContact CE2-CD2 4.27Å; F13-F183 AromaticContact CE2-CE2 3.89Å; F13-F183 HydrophobicContact CE2-CE2 3.89Å; F13-F183 HydrophobicContact CE2-CZ 4.36Å; F13-F183 HydrophobicContact CZ-CE2 4.33Å; F13-Y196 HydrophobicContact CB-CE2 4.26Å; F13-Y196 AromaticContact CD2-CD1 3.73Å; F13-Y196 HydrophobicContact CD2-CD1 3.73Å; F13-Y196 AromaticContact CD2-CD2 3.85Å; F13-Y196 HydrophobicContact CD2-CD2 3.85Å; F13-Y196 AromaticContact CD2-CE1 3.67Å; F13-Y196 HydrophobicContact CD2-CE1 3.67Å; F13-Y196 AromaticContact CD2-CE2 3.79Å; F13-Y196 HydrophobicContact CD2-CE2 3.79Å; F13-Y196 AromaticContact CD2-CG 3.84Å; F13-Y196 HydrophobicContact CD2-CG 3.84Å; F13-Y196 AromaticContact CD2-CZ 3.71Å; F13-Y196 AromaticContact CE2-CD1 3.8Å; F13-Y196 HydrophobicContact CE2-CD1 3.8Å; F13-Y196 HydrophobicContact CE2-CD2 4.49Å; F13-Y196 HydrophobicContact CE2-CE1 4.08Å; F13-Y196 HydrophobicContact CE2-CG 4.05Å; F13-V203 HydrophobicContact CE1-CG1 4.2Å; F13-V203 HydrophobicContact CZ-CG1 3.78Å; F13-V203 HydrophobicContact CZ-CG2 3.95Å
14L98Very high96.9Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-62-44.5-180-73.2170.9000112.2V2 K10 T12 Y16 F17 Q18 V26 L79 E81V2-L14 HydrophobicContact CB-CD2 4.26Å; V2-L14 HydrophobicContact CG2-CD2 3.61Å; V2-L14 HydrophobicContact CG2-CG 4.31Å; K10-L14 WeakPolarHBondContact O-CB 3.38Å; K10-L14 VanDerWaalsContact O-CG 3.29Å; K10-L14 WeakPolarHBondContact O-CG 3.41Å; K10-L14 PolarHBondContact O-N 3.31Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-L14 PolarHBondContact O-N 3.22Å; L14-Y16 VanDerWaalsContact C-N 3.31Å; L14-Y16 PolarHBondContact O-N 3.45Å; L14-F17 PolarHBondContact O-N 3.4Å; L14-Q18 WeakPolarHBondContact O-CB 3.41Å; L14-Q18 PolarHBondContact O-N 3.15Å; L14-V26 HydrophobicContact CB-CG1 3.79Å; L14-V26 HydrophobicContact CD2-CG1 4.2Å; L14-V26 HydrophobicContact CG-CG1 4.4Å; L14-L79 HydrophobicContact CD2-CB 3.41Å; L14-L79 VanDerWaalsContact CD2-CB 3.41Å; L14-L79 HydrophobicContact CD2-CD2 4.18Å; L14-L79 HydrophobicContact CD2-CG 4.44Å; L14-E81 HydrophobicContact CD1-CB 3.4Å; L14-E81 HydrophobicContact CD1-CG 3.64Å
15R97.3Very high96.8Very high126 Ų12637.9 Ų37.948%0.47520%0.196SC..Hα-helixtrans-61.3-40.1176.1-173.3-178.3-61.1125.91.3111.9S11 T12 F13 Q18 Q19S11-R15 WeakPolarHBondContact O-CB 3.29Å; S11-R15 PolarHBondContact O-N 2.94Å; T12-R15 PolarHBondContact O-N 3.45Å; F13-R15 PolarHBondContact O-N 3.34Å; R15-Q18 WeakPolarHBondContact O-CB 3.32Å; R15-Q18 PolarHBondContact O-N 3.05Å; R15-Q19 WeakPolarHBondContact O-CG 3.32Å; R15-Q19 PolarHBondContact O-N 3.17Å
16Y97.3Very high96.7Very high26 Ų2638.8 Ų38.810%0.10220%0.201CC..Hα-helixtrans-58.5-50.6176.1172.8-101.5000111.3T12 F13 L14 Q18 Q19 L20 L193 Y196 R197T12-Y16 PolarHBondContact O-N 3.17Å; F13-Y16 WeakPolarHBondContact O-CB 3.4Å; F13-Y16 PolarHBondContact O-N 2.83Å; L14-Y16 VanDerWaalsContact C-N 3.31Å; L14-Y16 PolarHBondContact O-N 3.45Å; Y16-Q18 PolarHBondContact O-N 3.13Å; Y16-Q19 PolarHBondContact O-N 3.38Å; Y16-L20 HydrophobicContact CE1-CD2 4.18Å; Y16-L20 WeakPolarHBondContact O-CB 3.34Å; Y16-L20 PolarHBondContact O-N 2.91Å; Y16-L193 HydrophobicContact CD2-CD2 3.68Å; Y16-L193 HydrophobicContact CE2-CD2 4.27Å; Y16-L193 HydrophobicContact CG-CD2 3.96Å; Y16-Y196 HydrophobicContact CD1-CD2 4.3Å; Y16-R197 VanDerWaalsContact OH-CB 3.29Å; Y16-R197 WeakPolarHBondContact OH-CB 3.49Å
17F97.6Very high96.7Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-67.1-34.7177.6-83.5-84.2000112.9F13 L14 Q19 L20 S21 N24 L79 K200 V203 M204F13-F17 HydrophobicContact CD1-CD2 4.09Å; F13-F17 HydrophobicContact CD1-CE2 4.49Å; F13-F17 HydrophobicContact CD2-CD2 4.31Å; F13-F17 HydrophobicContact CD2-CE2 4.05Å; F13-F17 AromaticContact CE1-CD2 3.7Å; F13-F17 HydrophobicContact CE1-CD2 3.7Å; F13-F17 AromaticContact CE1-CE2 3.9Å; F13-F17 HydrophobicContact CE1-CE2 3.9Å; F13-F17 AromaticContact CE2-CD2 3.97Å; F13-F17 HydrophobicContact CE2-CD2 3.97Å; F13-F17 AromaticContact CE2-CE2 3.41Å; F13-F17 HydrophobicContact CE2-CE2 3.41Å; F13-F17 VanDerWaalsContact CE2-CE2 3.41Å; F13-F17 HydrophobicContact CE2-CZ 4.4Å; F13-F17 HydrophobicContact CG-CD2 4.38Å; F13-F17 AromaticContact CZ-CD2 3.64Å; F13-F17 HydrophobicContact CZ-CD2 3.64Å; F13-F17 AromaticContact CZ-CE2 3.31Å; F13-F17 HydrophobicContact CZ-CE2 3.31Å; F13-F17 HydrophobicContact CZ-CZ 4.19Å; F13-F17 WeakPolarHBondContact O-CD2 3.49Å; F13-F17 PolarHBondContact O-N 3.04Å; F13-F17 VanDerWaalsContact O-N 3.12Å; L14-F17 PolarHBondContact O-N 3.4Å; F17-Q19 VanDerWaalsContact C-N 3.27Å; F17-Q19 PolarHBondContact O-N 2.95Å; F17-L20 HydrophobicContact CD1-CD2 3.99Å; F17-L20 HydrophobicContact CE1-CD2 3.94Å; F17-L20 PolarHBondContact O-N 2.92Å; F17-S21 PolarHBondContact O-N 3.43Å; F17-N24 PolarHBondContact O-ND2 3.04Å; F17-L79 HydrophobicContact CB-CD1 4.39Å; F17-L79 HydrophobicContact CB-CD2 3.9Å; F17-L79 HydrophobicContact CD2-CD2 4.45Å; F17-L79 HydrophobicContact CG-CD2 4.08Å; F17-K200 HydrophobicContact CE1-CB 4.24Å; F17-V203 HydrophobicContact CD1-CB 4.43Å; F17-V203 HydrophobicContact CD1-CG1 3.83Å; F17-V203 HydrophobicContact CD2-CG1 4.14Å; F17-V203 HydrophobicContact CE1-CB 3.61Å; F17-V203 HydrophobicContact CE1-CG1 3.48Å; F17-V203 VanDerWaalsContact CE1-CG1 3.48Å; F17-V203 HydrophobicContact CE1-CG2 4.3Å; F17-V203 HydrophobicContact CE2-CB 4.29Å; F17-V203 HydrophobicContact CE2-CG1 3.84Å; F17-V203 HydrophobicContact CE2-CG2 4.25Å; F17-V203 HydrophobicContact CG-CG1 4.15Å; F17-V203 HydrophobicContact CZ-CB 3.55Å; F17-V203 HydrophobicContact CZ-CG1 3.5Å; F17-V203 VanDerWaalsContact CZ-CG1 3.5Å; F17-V203 HydrophobicContact CZ-CG2 3.7Å; F17-M204 HydrophobicContact CD1-CG 4.19Å; F17-M204 HydrophobicContact CD1-SD 4.49Å; F17-M204 HydrophobicContact CE1-CG 4.23Å
18Q96.9Very high96.7Very high91 Ų9141.3 Ų41.343%0.42521%0.21SC..Hα-helixtrans-58.4-40.2173.7-164.2177.625.600112.2L14 R15 Y16 V26L14-Q18 WeakPolarHBondContact O-CB 3.41Å; L14-Q18 PolarHBondContact O-N 3.15Å; R15-Q18 WeakPolarHBondContact O-CB 3.32Å; R15-Q18 PolarHBondContact O-N 3.05Å; Y16-Q18 PolarHBondContact O-N 3.13Å; Q18-V26 HydrophobicContact CB-CB 4.3Å; Q18-V26 HydrophobicContact CB-CG2 3.73Å; Q18-V26 HydrophobicContact CG-CB 4.25Å; Q18-V26 HydrophobicContact CG-CG2 4.06Å
19Q96.3Very high96.5Very high151 Ų15143 Ų4371%0.70622%0.218SC*.Hα-helixtrans-78.8-28.9178.6-69.5174.5-13.600112.7R15 Y16 F17 S21R15-Q19 WeakPolarHBondContact O-CG 3.32Å; R15-Q19 PolarHBondContact O-N 3.17Å; Y16-Q19 PolarHBondContact O-N 3.38Å; F17-Q19 VanDerWaalsContact C-N 3.27Å; F17-Q19 PolarHBondContact O-N 2.95Å; Q19-S21 VanDerWaalsContact C-N 3.34Å; Q19-S21 PolarHBondContact O-N 2.76Å
20L95.2Very high96.3Very high49 Ų4942.1 Ų42.126%0.25721%0.208SC..Hα-helixtrans-66.3-34.3-177.4-173.666000112.9Y16 F17 K200 A209Y16-L20 HydrophobicContact CE1-CD2 4.18Å; Y16-L20 WeakPolarHBondContact O-CB 3.34Å; Y16-L20 PolarHBondContact O-N 2.91Å; F17-L20 HydrophobicContact CD1-CD2 3.99Å; F17-L20 HydrophobicContact CE1-CD2 3.94Å; F17-L20 PolarHBondContact O-N 2.92Å; L20-K200 HydrophobicContact CD2-CB 3.93Å; L20-A209 HydrophobicContact CG-CB 4.39Å
21S95.5Very high96Very high1 Ų142.7 Ų42.71%0.00721%0.212CC..  trans-148.6134.4-177.2178.60000113.1F17 Q19 K23 N24 A209F17-S21 PolarHBondContact O-N 3.43Å; Q19-S21 VanDerWaalsContact C-N 3.34Å; Q19-S21 PolarHBondContact O-N 2.76Å; S21-K23 PolarHBondContact O-N 2.83Å; S21-K23 WeakPolarHBondContact OG-CB 3.32Å; S21-K23 PolarHBondContact OG-N 2.98Å; S21-N24 PolarHBondContact O-N 2.51Å; S21-A209 WeakPolarHBondContact CB-OXT 3.47Å; S21-A209 PolarHBondContact OG-OXT 2.89Å
22P95.4Very high95.9Very high105 Ų10548.9 Ų48.968%0.68223%0.232SC*.THydrogen-bonded Turntrans-67.3-12.6171.130.8-35.7000112.9N24 K75P22-N24 PolarHBondContact O-N 2.75Å; P22-K75 VanDerWaalsContact O-CD 3.31Å; P22-K75 WeakPolarHBondContact O-CD 3.32Å; P22-K75 VanDerWaalsContact O-CE 3.23Å; P22-K75 WeakPolarHBondContact O-CE 3.11Å; P22-K75 PolarHBondContact O-NZ 2.77Å
23K96.3Very high95.8Very high79 Ų7949.3 Ų49.334%0.34323%0.232SC..THydrogen-bonded Turntrans-79.1-5.9175.4-58.9176.7-172.9166.40113.3S21 K75 P76 V77 V207 E208S21-K23 PolarHBondContact O-N 2.83Å; S21-K23 WeakPolarHBondContact OG-CB 3.32Å; S21-K23 PolarHBondContact OG-N 2.98Å; K23-K75 WeakPolarHBondContact O-CB 3.49Å; K23-P76 HydrophobicContact CB-CG 4.5Å; K23-V77 PolarHBondContact O-N 3.16Å; K23-V207 HydrophobicContact CD-CG1 3.77Å; K23-E208 WeakPolarHBondContact CD-O 3.48Å; K23-E208 WeakPolarHBondContact CE-O 3.3Å; K23-E208 PolarHBondContact NZ-O 2.81Å
24N97Very high95.6Very high1 Ų149.5 Ų49.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-89.3125.4177.4-68.3-24.5000111.2F17 S21 P22 K75 V77 L79 M204F17-N24 PolarHBondContact O-ND2 3.04Å; S21-N24 PolarHBondContact O-N 2.51Å; P22-N24 PolarHBondContact O-N 2.75Å; N24-K75 VanDerWaalsContact C-CD 3.41Å; N24-K75 WeakPolarHBondContact O-CD 3.41Å; N24-K75 PolarHBondContact O-NZ 3.21Å; N24-V77 WeakPolarHBondContact CA-O 3.28Å; N24-V77 VanDerWaalsContact OD1-CB 3.25Å; N24-V77 WeakPolarHBondContact OD1-CB 3.41Å; N24-V77 WeakPolarHBondContact OD1-CG1 3.1Å; N24-L79 HydrophobicContact CB-CD1 3.98Å; N24-M204 WeakPolarHBondContact OD1-CE 3.47Å
25E96.6Very high95.4Very high28 Ų2852.3 Ų52.313%0.13125%0.245CC..EExtended strand (participates in β ladder)trans-97.3125.3162.6179.7-179.4-158.800107.9P73 T74 K75 V77 R78 L79E25-P73 WeakPolarHBondContact OE2-CA 3.43Å; E25-T74 PolarHBondContact OE1-OG1 3.29Å; E25-T74 PolarHBondContact OE2-N 2.95Å; E25-T74 PolarHBondContact OE2-OG1 3.25Å; E25-K75 HydrophobicContact CB-CB 4.03Å; E25-K75 HydrophobicContact CB-CD 4.04Å; E25-K75 HydrophobicContact CB-CG 4.18Å; E25-V77 PolarHBondContact N-O 3.19Å; E25-R78 HydrophobicContact CB-CB 4.44Å; E25-R78 HydrophobicContact CG-CG 4.49Å; E25-R78 CarbonylContact O-C 3.6Å; E25-R78 WeakPolarHBondContact O-CA 3.24Å; E25-R78 IonicContact OE1-CZ 3.86Å; E25-R78 IonicContact OE1-NE 2.73Å; E25-R78 IonicContact OE1-NH2 3.56Å; E25-R78 PolarHBondContact OE1-NH2 2.88Å; E25-R78 IonicContact OE2-CZ 2.68Å; E25-R78 VanDerWaalsContact OE2-CZ 3.24Å; E25-R78 IonicContact OE2-NE 3.97Å; E25-R78 PolarHBondContact OE2-NE 2.88Å; E25-R78 IonicContact OE2-NH2 3.49Å; E25-R78 PolarHBondContact OE2-NH2 2.91Å; E25-L79 PolarHBondContact O-N 2.82Å
26V96.6Very high95.2Very high22 Ų2251.4 Ų51.413%0.13325%0.249CC..EExtended strand (participates in β ladder)trans-117.1126.8-179.5170.50000109.5L14 Q18 L79L14-V26 HydrophobicContact CB-CG1 3.79Å; L14-V26 HydrophobicContact CD2-CG1 4.2Å; L14-V26 HydrophobicContact CG-CG1 4.4Å; Q18-V26 HydrophobicContact CB-CB 4.3Å; Q18-V26 HydrophobicContact CB-CG2 3.73Å; Q18-V26 HydrophobicContact CG-CB 4.25Å; Q18-V26 HydrophobicContact CG-CG2 4.06Å; V26-L79 WeakPolarHBondContact CA-O 3.37Å; V26-L79 HydrophobicContact CG2-CB 4.35Å; V26-L79 HydrophobicContact CG2-CD1 4.13Å
27M95.4Very high95Very high17 Ų1750.6 Ų50.68%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-116.692.1178-66.5-170.48000108.9R68 R78 L79 L80 E81M27-R68 VanDerWaalsContact CB-NH2 3.32Å; M27-R68 HydrophobicContact CE-CB 3.66Å; M27-R68 HydrophobicContact CE-CG 3.86Å; M27-R78 HydrophobicContact SD-CG 4.5Å; M27-L79 PolarHBondContact N-O 3.43Å; M27-L80 HydrophobicContact CB-CD2 3.52Å; M27-L80 HydrophobicContact CG-CD2 3.84Å; M27-L80 HydrophobicContact SD-CD2 3.42Å; M27-L80 WeakPolarHBondContact SD-CD2 3.48Å; M27-E81 PolarHBondContact O-N 3.39Å
28H95.6Very high94.6Very high58 Ų5861.9 Ų61.927%0.26929%0.291SS..  trans-61.6160.7173.8-74.3-66.7000112.9R68 E81H28-R68 PolarHBondContact O-NH2 2.94Å; H28-E81 WeakPolarHBondContact CA-OE2 3.36Å; H28-E81 IonicContact CG-OE2 2.6Å; H28-E81 IonicContact ND1-OE2 2.96Å; H28-E81 PolarHBondContact ND1-OE2 2.88Å
29E93.2Very high94.3Very high36 Ų3660.7 Ų60.717%0.16830%0.303CS..  trans-61.3125.8173.9-172.6171.9-130.300108.8L31 W34 E81 R82E29-L31 HydrophobicContact CG-CD2 4.03Å; E29-L31 HydrophobicContact CG-CG 4.25Å; E29-L31 PolarHBondContact O-N 3.13Å; E29-W34 HydrophobicContact CG-CH2 3.3Å; E29-W34 HydrophobicContact CG-CZ2 4.21Å; E29-W34 HydrophobicContact CG-CZ3 3.49Å; E29-W34 VanDerWaalsContact CG-CZ3 3.49Å; E29-W34 WeakPolarHBondContact OE1-CH2 3.38Å; E29-W34 WeakPolarHBondContact OE1-CZ3 3.32Å; E29-E81 HydrophobicContact CB-CB 4.25Å; E29-E81 HydrophobicContact CB-CG 4.07Å; E29-E81 PolarHBondContact N-OE2 3.44Å; E29-E81 VanDerWaalsContact N-OE2 3.11Å; E29-R82 WeakPolarHBondContact OE1-CD 3.45Å; E29-R82 IonicContact OE1-NE 2.62Å; E29-R82 PolarHBondContact OE1-NE 3.24Å; E29-R82 VanDerWaalsContact OE1-NE 3.11Å
30P93Very high94.2Very high1 Ų160.2 Ų60.21%0.00630%0.296CS..  trans-82.453.7-168.837.8-40.6000111.7Y32 L33 W34P30-Y32 HydrophobicContact CB-CD1 4.41Å; P30-Y32 HydrophobicContact CB-CE1 3.86Å; P30-Y32 PolarHBondContact O-N 3.16Å; P30-L33 HydrophobicContact CB-CB 4.47Å; P30-L33 HydrophobicContact CB-CD1 3.82Å; P30-L33 HydrophobicContact CB-CG 4.12Å; P30-L33 HydrophobicContact CG-CD1 4.37Å; P30-L33 WeakPolarHBondContact O-CB 3.35Å; P30-L33 PolarHBondContact O-N 3.18Å; P30-W34 HydrophobicContact CG-CZ2 3.84Å
31L92.2Very high94.2Very high23 Ų2359.6 Ų59.612%0.1229%0.293CS..Hα-helixtrans-52.6-33.7-176.3-64.2174.6000112.8E29 L33 W34 K35 F43 R146E29-L31 HydrophobicContact CG-CD2 4.03Å; E29-L31 HydrophobicContact CG-CG 4.25Å; E29-L31 PolarHBondContact O-N 3.13Å; L31-L33 PolarHBondContact O-N 3.47Å; L31-W34 HydrophobicContact CD2-CE3 3.58Å; L31-W34 HydrophobicContact CD2-CZ3 3.67Å; L31-W34 PolarHBondContact O-N 3.48Å; L31-K35 WeakPolarHBondContact O-CG 3.48Å; L31-K35 PolarHBondContact O-N 2.89Å; L31-F43 HydrophobicContact CD2-CD2 4.06Å; L31-F43 HydrophobicContact CD2-CE2 3.81Å; L31-R146 VanDerWaalsContact CD1-CZ 3.41Å
32Y93Very high94.2Very high157 Ų15760.4 Ų60.462%0.61630%0.297SS*.Hα-helixtrans-59.7-32.5176.770.2-85.3000113.1P30 W34 D36P30-Y32 HydrophobicContact CB-CD1 4.41Å; P30-Y32 HydrophobicContact CB-CE1 3.86Å; P30-Y32 PolarHBondContact O-N 3.16Å; Y32-W34 VanDerWaalsContact C-N 3.3Å; Y32-D36 PolarHBondContact O-N 3.43Å
33L94.2Very high94.1Very high65 Ų6555.8 Ų55.834%0.3427%0.266SS..Hα-helixtrans-70.4-31.8174.1-64.4-179.9000111.2P30 L31 D36 Q60 T64P30-L33 HydrophobicContact CB-CB 4.47Å; P30-L33 HydrophobicContact CB-CD1 3.82Å; P30-L33 HydrophobicContact CB-CG 4.12Å; P30-L33 HydrophobicContact CG-CD1 4.37Å; P30-L33 WeakPolarHBondContact O-CB 3.35Å; P30-L33 PolarHBondContact O-N 3.18Å; L31-L33 PolarHBondContact O-N 3.47Å; L33-D36 CarbonylContact O-C 3.38Å; L33-Q60 PolarHBondContact O-NE2 3.42Å; L33-T64 HydrophobicContact CB-CG2 4.3Å; L33-T64 HydrophobicContact CD1-CG2 3.84Å
34W94.9Very high94Very high4 Ų456.6 Ų56.62%0.01527%0.271CS..Hα-helixtrans-84.4-26.3-176.8-50.3-21.4000112.8E29 P30 L31 Y32 D36 L42 F43 F57 V61 T64E29-W34 HydrophobicContact CG-CH2 3.3Å; E29-W34 HydrophobicContact CG-CZ2 4.21Å; E29-W34 HydrophobicContact CG-CZ3 3.49Å; E29-W34 VanDerWaalsContact CG-CZ3 3.49Å; E29-W34 WeakPolarHBondContact OE1-CH2 3.38Å; E29-W34 WeakPolarHBondContact OE1-CZ3 3.32Å; P30-W34 HydrophobicContact CG-CZ2 3.84Å; L31-W34 HydrophobicContact CD2-CE3 3.58Å; L31-W34 HydrophobicContact CD2-CZ3 3.67Å; L31-W34 PolarHBondContact O-N 3.48Å; Y32-W34 VanDerWaalsContact C-N 3.3Å; W34-D36 VanDerWaalsContact C-N 3.33Å; W34-L42 PolarHBondContact O-N 2.88Å; W34-F43 HydrophobicContact CB-CB 4.28Å; W34-F43 HydrophobicContact CE3-CD2 4.37Å; W34-F43 PolarHBondContact O-N 3.31Å; W34-F57 HydrophobicContact CB-CE2 3.92Å; W34-F57 HydrophobicContact CD2-CE2 4.23Å; W34-F57 HydrophobicContact CD2-CZ 4.42Å; W34-F57 HydrophobicContact CE3-CE2 4.01Å; W34-F57 AromaticContact CE3-CZ 3.84Å; W34-F57 HydrophobicContact CE3-CZ 3.84Å; W34-F57 HydrophobicContact CG-CE2 4.22Å; W34-F57 HydrophobicContact CZ3-CZ 4.31Å; W34-V61 HydrophobicContact CD2-CG2 4.01Å; W34-V61 HydrophobicContact CE3-CG2 4.14Å; W34-V61 HydrophobicContact CH2-CG1 4.12Å; W34-V61 HydrophobicContact CH2-CG2 3.98Å; W34-V61 HydrophobicContact CZ2-CB 4.18Å; W34-V61 HydrophobicContact CZ2-CG1 4Å; W34-V61 HydrophobicContact CZ2-CG2 3.84Å; W34-V61 HydrophobicContact CZ3-CG2 4.13Å; W34-T64 PolarHBondContact NE1-OG1 3.11Å
35K93.9Very high93.8Very high59 Ų5958.8 Ų58.826%0.25728%0.283SS..Hα-helixtrans-78.9-15.2171.4-67.5-162.7163.4-144.50114.1L31 D41 F43 S147L31-K35 WeakPolarHBondContact O-CG 3.48Å; L31-K35 PolarHBondContact O-N 2.89Å; K35-D41 WeakPolarHBondContact CA-OD1 3.36Å; K35-D41 WeakPolarHBondContact CB-OD2 3.3Å; K35-D41 WeakPolarHBondContact CG-OD2 3.31Å; K35-D41 WeakPolarHBondContact O-CA 3.37Å; K35-D41 WeakPolarHBondContact O-CB 3.46Å; K35-F43 HydrophobicContact CG-CB 4.17Å; K35-S147 PolarHBondContact NZ-O 3.21Å
36D93.6Very high93.7Very high106 Ų10657.6 Ų57.657%0.56728%0.277SS*.  trans-134.975.3172.6-175.18.7000111.1Y32 L33 W34 R38 G39Y32-D36 PolarHBondContact O-N 3.43Å; L33-D36 CarbonylContact O-C 3.38Å; W34-D36 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 2.92Å; D36-G39 WeakPolarHBondContact OD1-CA 3.33Å; D36-G39 PolarHBondContact OD1-N 3.49Å
37A92Very high93.5Very high10 Ų1058.7 Ų58.78%0.08328%0.279CS..SBendtrans-90.968.8176.600000111.1Y40 L42A37-Y40 VanDerWaalsContact CB-O 3.3Å; A37-Y40 WeakPolarHBondContact CB-O 3.41Å; A37-Y40 PolarHBondContact N-O 2.97Å; A37-L42 HydrophobicContact CB-CB 4.31Å; A37-L42 HydrophobicContact CB-CD1 3.5Å; A37-L42 HydrophobicContact CB-CG 3.61Å
38R89.9Confident93.2Very high236 Ų23665.6 Ų65.689%0.89131%0.311SS*.SBendtrans63.346.2-172.6-50.4171.6-71.3-159.6-2.6111.3D36D36-R38 PolarHBondContact O-N 2.92Å
39G91.3Very high93.1Very high66 Ų6666 Ų6668%0.6832%0.315SS*.SBendtrans85.83.9-18000000115.6D36D36-G39 WeakPolarHBondContact OD1-CA 3.33Å; D36-G39 PolarHBondContact OD1-N 3.49Å
40Y92.4Very high93.2Very high142 Ų14266.5 Ų66.556%0.55732%0.317SS*.  trans-111.6129.9174.4-65.2-87.4000110.7A37 L42 L45A37-Y40 VanDerWaalsContact CB-O 3.3Å; A37-Y40 WeakPolarHBondContact CB-O 3.41Å; A37-Y40 PolarHBondContact N-O 2.97Å; Y40-L42 PolarHBondContact O-N 2.63Å; Y40-L42 VanDerWaalsContact O-N 3.11Å; Y40-L45 HydrophobicContact CD1-CD1 4.27Å
41D95.2Very high93.3Very high36 Ų3676.5 Ų76.519%0.19336%0.355CS..  trans-80.984.6168-167.3-32.6000109.2K35 F43 E44 L45K35-D41 WeakPolarHBondContact CA-OD1 3.36Å; K35-D41 WeakPolarHBondContact CB-OD2 3.3Å; K35-D41 WeakPolarHBondContact CG-OD2 3.31Å; K35-D41 WeakPolarHBondContact O-CA 3.37Å; K35-D41 WeakPolarHBondContact O-CB 3.46Å; D41-F43 PolarHBondContact O-N 3.01Å; D41-F43 WeakPolarHBondContact OD1-CB 3.3Å; D41-F43 PolarHBondContact OD1-N 2.73Å; D41-F43 VanDerWaalsContact OD1-N 3.16Å; D41-E44 HydrophobicContact CB-CB 4.13Å; D41-E44 PolarHBondContact O-N 2.83Å; D41-E44 WeakPolarHBondContact OD1-CB 3.48Å; D41-E44 PolarHBondContact OD1-N 2.82Å; D41-L45 VanDerWaalsContact O-CB 3.29Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CD1 3.49Å; D41-L45 WeakPolarHBondContact O-CG 3.4Å; D41-L45 PolarHBondContact O-N 2.79Å
42L95.7Very high93.5Very high18 Ų1881.8 Ų81.89%0.09437%0.373CS..Hα-helixtrans-66.9-23-179.7-70.9-177.2000112.3W34 A37 Y40 L45 M46 W53 P56 F57 Q60W34-L42 PolarHBondContact O-N 2.88Å; A37-L42 HydrophobicContact CB-CB 4.31Å; A37-L42 HydrophobicContact CB-CD1 3.5Å; A37-L42 HydrophobicContact CB-CG 3.61Å; Y40-L42 PolarHBondContact O-N 2.63Å; Y40-L42 VanDerWaalsContact O-N 3.11Å; L42-L45 HydrophobicContact CD2-CD1 4.15Å; L42-M46 WeakPolarHBondContact O-CB 3.38Å; L42-M46 PolarHBondContact O-N 2.89Å; L42-M46 VanDerWaalsContact O-N 3.07Å; L42-W53 HydrophobicContact CD2-CE3 3.7Å; L42-W53 HydrophobicContact CD2-CZ3 3.84Å; L42-P56 HydrophobicContact CD2-CB 4.48Å; L42-F57 HydrophobicContact CB-CD2 3.99Å; L42-F57 WeakPolarHBondContact O-CD2 3.35Å; L42-Q60 HydrophobicContact CD1-CB 4.28Å
43F94Very high93.6Very high8 Ų876.9 Ų76.94%0.03535%0.353CS..Hα-helixtrans-68.1-51.2175.7179.3-90.4000110.8L31 W34 K35 D41 M46 Y47 F57 E149L31-F43 HydrophobicContact CD2-CD2 4.06Å; L31-F43 HydrophobicContact CD2-CE2 3.81Å; W34-F43 HydrophobicContact CB-CB 4.28Å; W34-F43 HydrophobicContact CE3-CD2 4.37Å; W34-F43 PolarHBondContact O-N 3.31Å; K35-F43 HydrophobicContact CG-CB 4.17Å; D41-F43 PolarHBondContact O-N 3.01Å; D41-F43 WeakPolarHBondContact OD1-CB 3.3Å; D41-F43 PolarHBondContact OD1-N 2.73Å; D41-F43 VanDerWaalsContact OD1-N 3.16Å; F43-M46 PolarHBondContact O-N 3.27Å; F43-Y47 HydrophobicContact CD1-CD2 4.28Å; F43-Y47 HydrophobicContact CD1-CE2 4.28Å; F43-Y47 HydrophobicContact CD2-CE2 4.23Å; F43-Y47 HydrophobicContact CE1-CD2 4.05Å; F43-Y47 AromaticContact CE1-CE2 3.78Å; F43-Y47 HydrophobicContact CE1-CE2 3.78Å; F43-Y47 AromaticContact CE2-CE2 3.74Å; F43-Y47 HydrophobicContact CE2-CE2 3.74Å; F43-Y47 HydrophobicContact CG-CE2 4.49Å; F43-Y47 HydrophobicContact CZ-CD2 4.24Å; F43-Y47 AromaticContact CZ-CE2 3.51Å; F43-Y47 HydrophobicContact CZ-CE2 3.51Å; F43-Y47 VanDerWaalsContact O-CD2 3.27Å; F43-Y47 WeakPolarHBondContact O-CD2 3.25Å; F43-Y47 PolarHBondContact O-N 2.92Å; F43-F57 HydrophobicContact CB-CE2 3.92Å; F43-F57 HydrophobicContact CD2-CE2 4Å; F43-F57 AromaticContact CD2-CZ 3.87Å; F43-F57 HydrophobicContact CD2-CZ 3.87Å; F43-F57 HydrophobicContact CG-CE2 4.44Å; F43-E149 HydrophobicContact CE1-CG 3.96Å; F43-E149 HydrophobicContact CZ-CG 3.81Å
44E93.4Very high93.8Very high95 Ų9573.8 Ų73.844%0.44434%0.337SS..Hα-helixtrans-67.1-44.5177.3-171.7176.5154.100111.6D41 M46 Y47 H48D41-E44 HydrophobicContact CB-CB 4.13Å; D41-E44 PolarHBondContact O-N 2.83Å; D41-E44 WeakPolarHBondContact OD1-CB 3.48Å; D41-E44 PolarHBondContact OD1-N 2.82Å; E44-M46 VanDerWaalsContact C-N 3.26Å; E44-M46 PolarHBondContact O-N 3.37Å; E44-Y47 PolarHBondContact O-N 3.2Å; E44-Y47 VanDerWaalsContact O-N 3.12Å; E44-H48 PolarHBondContact O-N 3.33Å
45L94.3Very high93.8Very high48 Ų4875.9 Ų75.925%0.25135%0.35SS..Hα-helixtrans-58.1-38.1177.5-73.5169.6000112.3Y40 D41 L42 H48 D49 W53Y40-L45 HydrophobicContact CD1-CD1 4.27Å; D41-L45 VanDerWaalsContact O-CB 3.29Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CD1 3.49Å; D41-L45 WeakPolarHBondContact O-CG 3.4Å; D41-L45 PolarHBondContact O-N 2.79Å; L42-L45 HydrophobicContact CD2-CD1 4.15Å; L45-H48 PolarHBondContact O-N 3.36Å; L45-D49 PolarHBondContact O-N 2.87Å; L45-W53 HydrophobicContact CB-CB 4.28Å; L45-W53 HydrophobicContact CB-CD2 3.92Å; L45-W53 HydrophobicContact CB-CG 3.78Å; L45-W53 HydrophobicContact CD1-CD2 4.25Å; L45-W53 HydrophobicContact CD1-CE3 4.3Å; L45-W53 HydrophobicContact CD1-CH2 4.13Å; L45-W53 HydrophobicContact CD1-CZ2 4.08Å; L45-W53 HydrophobicContact CD1-CZ3 4.24Å; L45-W53 HydrophobicContact CD2-CZ2 4.27Å; L45-W53 VanDerWaalsContact O-CD1 3.23Å
46M94.6Very high93.9Very high2 Ų275 Ų751%0.0135%0.351CS..Hα-helixtrans-65.1-41.9176.3-179.5-86.2-49.200112.4L42 F43 E44 D49 Q50 W53 F57 M95L42-M46 WeakPolarHBondContact O-CB 3.38Å; L42-M46 PolarHBondContact O-N 2.89Å; L42-M46 VanDerWaalsContact O-N 3.07Å; F43-M46 PolarHBondContact O-N 3.27Å; E44-M46 VanDerWaalsContact C-N 3.26Å; E44-M46 PolarHBondContact O-N 3.37Å; M46-D49 CarbonylContact O-C 3.53Å; M46-Q50 VanDerWaalsContact O-CA 3.27Å; M46-Q50 WeakPolarHBondContact O-CA 3.49Å; M46-Q50 WeakPolarHBondContact O-CG 3.48Å; M46-Q50 PolarHBondContact O-N 2.81Å; M46-W53 HydrophobicContact CB-CB 4.29Å; M46-F57 HydrophobicContact CB-CB 3.88Å; M46-F57 HydrophobicContact CB-CD1 4.16Å; M46-F57 HydrophobicContact CB-CD2 4.42Å; M46-F57 HydrophobicContact CB-CG 3.89Å; M46-F57 HydrophobicContact CE-CD1 3.83Å; M46-F57 HydrophobicContact CE-CE1 3.59Å; M46-F57 HydrophobicContact CE-CG 4.46Å; M46-F57 HydrophobicContact CE-CZ 4.03Å; M46-F57 HydrophobicContact CG-CB 3.99Å; M46-F57 HydrophobicContact CG-CD1 3.75Å; M46-F57 HydrophobicContact CG-CE1 4.49Å; M46-F57 HydrophobicContact CG-CG 3.97Å; M46-F57 HydrophobicContact SD-CD1 4.32Å; M46-M95 HydrophobicContact CG-CE 4.14Å; M46-M95 HydrophobicContact SD-CE 3.96Å
47Y90.9Very high94Very high45 Ų4570.5 Ų70.518%0.17633%0.326CS..Hα-helixtrans-71-30.8175.6-75.7-67.7000113.3I6 F43 E44 G148 I152 Y156I6-Y47 WeakPolarHBondContact CD1-OH 3.48Å; F43-Y47 HydrophobicContact CD1-CD2 4.28Å; F43-Y47 HydrophobicContact CD1-CE2 4.28Å; F43-Y47 HydrophobicContact CD2-CE2 4.23Å; F43-Y47 HydrophobicContact CE1-CD2 4.05Å; F43-Y47 AromaticContact CE1-CE2 3.78Å; F43-Y47 HydrophobicContact CE1-CE2 3.78Å; F43-Y47 AromaticContact CE2-CE2 3.74Å; F43-Y47 HydrophobicContact CE2-CE2 3.74Å; F43-Y47 HydrophobicContact CG-CE2 4.49Å; F43-Y47 HydrophobicContact CZ-CD2 4.24Å; F43-Y47 AromaticContact CZ-CE2 3.51Å; F43-Y47 HydrophobicContact CZ-CE2 3.51Å; F43-Y47 VanDerWaalsContact O-CD2 3.27Å; F43-Y47 WeakPolarHBondContact O-CD2 3.25Å; F43-Y47 PolarHBondContact O-N 2.92Å; E44-Y47 PolarHBondContact O-N 3.2Å; E44-Y47 VanDerWaalsContact O-N 3.12Å; Y47-G148 WeakPolarHBondContact CD2-O 3.4Å; Y47-I152 HydrophobicContact CD1-CD1 4.04Å; Y47-I152 HydrophobicContact CD1-CG1 3.79Å; Y47-I152 HydrophobicContact CE1-CD1 3.41Å; Y47-I152 VanDerWaalsContact CE1-CD1 3.41Å; Y47-I152 HydrophobicContact CE1-CG1 3.58Å; Y47-I152 HydrophobicContact CE2-CD1 4.21Å; Y47-Y156 HydrophobicContact CE1-CE1 4.29Å
48H90.8Very high94.2Very high163 Ų16370.2 Ų70.276%0.75532%0.323SS*.Hα-helixtrans-74-45177.7-178.6-78.6000113.2E44 L45E44-H48 PolarHBondContact O-N 3.33Å; L45-H48 PolarHBondContact O-N 3.36Å
49D93.3Very high94.4Very high67 Ų6761.2 Ų61.236%0.35830%0.299SS..  trans-138.486.4176.5179.1-3.5000110.3L45 M46 R51 R52 W53L45-D49 PolarHBondContact O-N 2.87Å; M46-D49 CarbonylContact O-C 3.53Å; D49-R51 PolarHBondContact O-N 3.19Å; D49-R51 PolarHBondContact OD1-N 3.19Å; D49-R51 VanDerWaalsContact OD1-N 3.16Å; D49-R52 HydrophobicContact CB-CB 4.36Å; D49-R52 VanDerWaalsContact CG-CB 3.49Å; D49-R52 PolarHBondContact O-N 2.76Å; D49-R52 PolarHBondContact OD1-N 2.76Å; D49-R52 WeakPolarHBondContact OD2-CB 3.36Å; D49-W53 WeakPolarHBondContact O-CB 3.47Å; D49-W53 PolarHBondContact O-N 3.09Å
50Q94.3Very high94.6Very high45 Ų4559.6 Ų59.621%0.2127%0.274CS..Hα-helixtrans-59.5-35.1-179.2-68.5-177.834.500111.7M46 R52 S54 N98 S100M46-Q50 VanDerWaalsContact O-CA 3.27Å; M46-Q50 WeakPolarHBondContact O-CA 3.49Å; M46-Q50 WeakPolarHBondContact O-CG 3.48Å; M46-Q50 PolarHBondContact O-N 2.81Å; Q50-R52 PolarHBondContact O-N 3.47Å; Q50-S54 WeakPolarHBondContact O-CB 3.46Å; Q50-S54 PolarHBondContact O-N 2.75Å; Q50-S54 PolarHBondContact O-OG 3.47Å; Q50-N98 PolarHBondContact OE1-ND2 3.27Å; Q50-S100 WeakPolarHBondContact CB-OG 3.42Å; Q50-S100 PolarHBondContact OE1-OG 2.91Å; Q50-S100 VanDerWaalsContact OE1-OG 3.09Å
51R95.4Very high94.7Very high211 Ų21153.3 Ų53.380%0.79625%0.25SS*.Hα-helixtrans-66.6-40.4-178-65.1-173.4-166-166.44111.8D49 S100D49-R51 PolarHBondContact O-N 3.19Å; D49-R51 PolarHBondContact OD1-N 3.19Å; D49-R51 VanDerWaalsContact OD1-N 3.16Å; R51-S100 WeakPolarHBondContact CA-O 3.38Å
52R96.2Very high94.6Very high135 Ų13552.1 Ų52.151%0.50924%0.244SC..Hα-helixtrans-79.1-37.2-179.9177.458.1-173.584.11113.1D49 Q50D49-R52 HydrophobicContact CB-CB 4.36Å; D49-R52 VanDerWaalsContact CG-CB 3.49Å; D49-R52 PolarHBondContact O-N 2.76Å; D49-R52 PolarHBondContact OD1-N 2.76Å; D49-R52 WeakPolarHBondContact OD2-CB 3.36Å; Q50-R52 PolarHBondContact O-N 3.47Å
53W96.5Very high94.5Very high53 Ų5356 Ų5620%0.20127%0.268CS..Hα-helixtrans-112.3-8.2-162.3-63.8109.8000115L42 L45 M46 D49 V55 P56 F57L42-W53 HydrophobicContact CD2-CE3 3.7Å; L42-W53 HydrophobicContact CD2-CZ3 3.84Å; L45-W53 HydrophobicContact CB-CB 4.28Å; L45-W53 HydrophobicContact CB-CD2 3.92Å; L45-W53 HydrophobicContact CB-CG 3.78Å; L45-W53 HydrophobicContact CD1-CD2 4.25Å; L45-W53 HydrophobicContact CD1-CE3 4.3Å; L45-W53 HydrophobicContact CD1-CH2 4.13Å; L45-W53 HydrophobicContact CD1-CZ2 4.08Å; L45-W53 HydrophobicContact CD1-CZ3 4.24Å; L45-W53 HydrophobicContact CD2-CZ2 4.27Å; L45-W53 VanDerWaalsContact O-CD1 3.23Å; M46-W53 HydrophobicContact CB-CB 4.29Å; D49-W53 WeakPolarHBondContact O-CB 3.47Å; D49-W53 PolarHBondContact O-N 3.09Å; W53-V55 PolarHBondContact O-N 3.12Å; W53-P56 HydrophobicContact CE3-CB 4.35Å; W53-P56 HydrophobicContact CE3-CG 4.28Å; W53-P56 WeakPolarHBondContact O-CD 3.18Å; W53-F57 VanDerWaalsContact O-CB 3.23Å; W53-F57 WeakPolarHBondContact O-CB 3.23Å; W53-F57 PolarHBondContact O-N 2.83Å
54S96.4Very high94.5Very high0 Ų056.5 Ų56.50%027%0.272CS..Hα-helixtrans-56.1-49.7177.8-73.40000112.7Q50 F57 Q58Q50-S54 WeakPolarHBondContact O-CB 3.46Å; Q50-S54 PolarHBondContact O-N 2.75Å; Q50-S54 PolarHBondContact O-OG 3.47Å; S54-F57 PolarHBondContact O-N 3.4Å; S54-Q58 WeakPolarHBondContact O-CB 3.4Å; S54-Q58 VanDerWaalsContact O-CG 3.29Å; S54-Q58 WeakPolarHBondContact O-CG 3.47Å; S54-Q58 PolarHBondContact O-N 3.12Å
55V96.1Very high94.5Very high48 Ų4852.3 Ų52.329%0.29125%0.253SS..Hα-helixtrans-66-50.3-178178.90000112.3W53 F57 Q58 A59 I101 D105W53-V55 PolarHBondContact O-N 3.12Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.49Å; V55-Q58 PolarHBondContact O-N 3.31Å; V55-A59 WeakPolarHBondContact O-CB 3.38Å; V55-A59 PolarHBondContact O-N 2.94Å; V55-I101 HydrophobicContact CG2-CB 4.42Å; V55-I101 HydrophobicContact CG2-CG2 3.69Å; V55-D105 HydrophobicContact CG2-CB 3.86Å
56P95.6Very high94.4Very high41 Ų4151.7 Ų51.727%0.26625%0.249SC..Hα-helixtrans-56.1-42.5174.1-2734000113.9L42 W53 A59 Q60L42-P56 HydrophobicContact CD2-CB 4.48Å; W53-P56 HydrophobicContact CE3-CB 4.35Å; W53-P56 HydrophobicContact CE3-CG 4.28Å; W53-P56 WeakPolarHBondContact O-CD 3.18Å; P56-A59 PolarHBondContact O-N 3.24Å; P56-Q60 PolarHBondContact O-N 2.93Å; P56-Q60 VanDerWaalsContact O-N 3.14Å
57F96.2Very high94.3Very high12 Ų1255.1 Ų55.15%0.05327%0.268CS..Hα-helixtrans-65.8-46177.9177.8-105.8000111.4W34 L42 F43 M46 W53 S54 V55 A59 Q60 V61 M95W34-F57 HydrophobicContact CB-CE2 3.92Å; W34-F57 HydrophobicContact CD2-CE2 4.23Å; W34-F57 HydrophobicContact CD2-CZ 4.42Å; W34-F57 HydrophobicContact CE3-CE2 4.01Å; W34-F57 AromaticContact CE3-CZ 3.84Å; W34-F57 HydrophobicContact CE3-CZ 3.84Å; W34-F57 HydrophobicContact CG-CE2 4.22Å; W34-F57 HydrophobicContact CZ3-CZ 4.31Å; L42-F57 HydrophobicContact CB-CD2 3.99Å; L42-F57 WeakPolarHBondContact O-CD2 3.35Å; F43-F57 HydrophobicContact CB-CE2 3.92Å; F43-F57 HydrophobicContact CD2-CE2 4Å; F43-F57 AromaticContact CD2-CZ 3.87Å; F43-F57 HydrophobicContact CD2-CZ 3.87Å; F43-F57 HydrophobicContact CG-CE2 4.44Å; M46-F57 HydrophobicContact CB-CB 3.88Å; M46-F57 HydrophobicContact CB-CD1 4.16Å; M46-F57 HydrophobicContact CB-CD2 4.42Å; M46-F57 HydrophobicContact CB-CG 3.89Å; M46-F57 HydrophobicContact CE-CD1 3.83Å; M46-F57 HydrophobicContact CE-CE1 3.59Å; M46-F57 HydrophobicContact CE-CG 4.46Å; M46-F57 HydrophobicContact CE-CZ 4.03Å; M46-F57 HydrophobicContact CG-CB 3.99Å; M46-F57 HydrophobicContact CG-CD1 3.75Å; M46-F57 HydrophobicContact CG-CE1 4.49Å; M46-F57 HydrophobicContact CG-CG 3.97Å; M46-F57 HydrophobicContact SD-CD1 4.32Å; W53-F57 VanDerWaalsContact O-CB 3.23Å; W53-F57 WeakPolarHBondContact O-CB 3.23Å; W53-F57 PolarHBondContact O-N 2.83Å; S54-F57 PolarHBondContact O-N 3.4Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.49Å; F57-A59 VanDerWaalsContact C-N 3.33Å; F57-A59 PolarHBondContact O-N 3.47Å; F57-Q60 WeakPolarHBondContact O-CB 3.31Å; F57-Q60 PolarHBondContact O-N 3.03Å; F57-Q60 VanDerWaalsContact O-N 3.09Å; F57-V61 HydrophobicContact CD1-CG2 4.02Å; F57-V61 HydrophobicContact CD2-CG2 4.34Å; F57-V61 HydrophobicContact CE1-CG2 3.59Å; F57-V61 HydrophobicContact CE2-CG2 3.95Å; F57-V61 HydrophobicContact CG-CG2 4.38Å; F57-V61 HydrophobicContact CZ-CG2 3.56Å; F57-V61 WeakPolarHBondContact O-CG2 3.38Å; F57-V61 PolarHBondContact O-N 3.07Å; F57-M95 HydrophobicContact CD1-CE 4.47Å
58Q95.3Very high94.3Very high3 Ų354.8 Ų54.81%0.01427%0.266CS..Hα-helixtrans-61.7-39.4177-75.6-56.3-30.900112.7S54 V55 Q60 V61 L62 S87 M95S54-Q58 WeakPolarHBondContact O-CB 3.4Å; S54-Q58 VanDerWaalsContact O-CG 3.29Å; S54-Q58 WeakPolarHBondContact O-CG 3.47Å; S54-Q58 PolarHBondContact O-N 3.12Å; V55-Q58 PolarHBondContact O-N 3.31Å; Q58-Q60 VanDerWaalsContact C-N 3.29Å; Q58-Q60 PolarHBondContact O-N 3.23Å; Q58-V61 PolarHBondContact O-N 3.33Å; Q58-L62 VanDerWaalsContact O-CB 3.25Å; Q58-L62 WeakPolarHBondContact O-CB 3.27Å; Q58-L62 PolarHBondContact O-N 2.88Å; Q58-S87 PolarHBondContact OE1-OG 3.18Å; Q58-S87 VanDerWaalsContact OE1-OG 3.13Å; Q58-M95 HydrophobicContact CG-CE 3.89Å; Q58-M95 HydrophobicContact CG-SD 3.36Å; Q58-M95 WeakPolarHBondContact CG-SD 3.42Å; Q58-M95 PolarHBondContact NE2-SD 2.85Å; Q58-M95 VanDerWaalsContact NE2-SD 3.4Å
59A94.1Very high94.3Very high47 Ų4747.7 Ų47.739%0.38823%0.233SC..Hα-helixtrans-59.5-42.2173.600000111.5V55 P56 F57 L62 V63V55-A59 WeakPolarHBondContact O-CB 3.38Å; V55-A59 PolarHBondContact O-N 2.94Å; P56-A59 PolarHBondContact O-N 3.24Å; F57-A59 VanDerWaalsContact C-N 3.33Å; F57-A59 PolarHBondContact O-N 3.47Å; A59-L62 PolarHBondContact O-N 3.28Å; A59-V63 WeakPolarHBondContact O-CG2 3.29Å; A59-V63 PolarHBondContact O-N 3.17Å; A59-V63 VanDerWaalsContact O-N 3.09Å
60Q95.2Very high94.2Very high33 Ų3348 Ų4815%0.15424%0.241CC..Hα-helixtrans-66.9-46.8176.9-170-175.930.700112.4L33 L42 P56 F57 Q58 L62 V63 T64L33-Q60 PolarHBondContact O-NE2 3.42Å; L42-Q60 HydrophobicContact CD1-CB 4.28Å; P56-Q60 PolarHBondContact O-N 2.93Å; P56-Q60 VanDerWaalsContact O-N 3.14Å; F57-Q60 WeakPolarHBondContact O-CB 3.31Å; F57-Q60 PolarHBondContact O-N 3.03Å; F57-Q60 VanDerWaalsContact O-N 3.09Å; Q58-Q60 VanDerWaalsContact C-N 3.29Å; Q58-Q60 PolarHBondContact O-N 3.23Å; Q60-L62 VanDerWaalsContact C-N 3.27Å; Q60-L62 PolarHBondContact O-N 2.82Å; Q60-V63 PolarHBondContact O-N 2.68Å; Q60-T64 HydrophobicContact CG-CG2 4.42Å; Q60-T64 WeakPolarHBondContact O-CB 3.5Å; Q60-T64 VanDerWaalsContact O-CG2 3.3Å; Q60-T64 WeakPolarHBondContact O-CG2 3.36Å; Q60-T64 PolarHBondContact O-N 3.48Å; Q60-T64 PolarHBondContact O-OG1 2.83Å
61V95.1Very high94Very high9 Ų950.2 Ų50.26%0.05525%0.25CC..Hα-helixtrans-55.7-46.3175.4170.30000109.8W34 F57 Q58 T64 L65W34-V61 HydrophobicContact CD2-CG2 4.01Å; W34-V61 HydrophobicContact CE3-CG2 4.14Å; W34-V61 HydrophobicContact CH2-CG1 4.12Å; W34-V61 HydrophobicContact CH2-CG2 3.98Å; W34-V61 HydrophobicContact CZ2-CB 4.18Å; W34-V61 HydrophobicContact CZ2-CG1 4Å; W34-V61 HydrophobicContact CZ2-CG2 3.84Å; W34-V61 HydrophobicContact CZ3-CG2 4.13Å; F57-V61 HydrophobicContact CD1-CG2 4.02Å; F57-V61 HydrophobicContact CD2-CG2 4.34Å; F57-V61 HydrophobicContact CE1-CG2 3.59Å; F57-V61 HydrophobicContact CE2-CG2 3.95Å; F57-V61 HydrophobicContact CG-CG2 4.38Å; F57-V61 HydrophobicContact CZ-CG2 3.56Å; F57-V61 WeakPolarHBondContact O-CG2 3.38Å; F57-V61 PolarHBondContact O-N 3.07Å; Q58-V61 PolarHBondContact O-N 3.33Å; V61-T64 WeakPolarHBondContact CA-OG1 3.12Å; V61-T64 PolarHBondContact O-N 3.47Å; V61-T64 PolarHBondContact O-OG1 3.24Å; V61-L65 HydrophobicContact CG1-CD1 3.66Å; V61-L65 HydrophobicContact CG1-CG 4.14Å; V61-L65 WeakPolarHBondContact O-CB 3.4Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.32Å; V61-L65 PolarHBondContact O-N 3.36Å
62L93.7Very high93.8Very high11 Ų1145.2 Ų45.26%0.05825%0.245CC..Hα-helixtrans-62.5-49.6-178.4-175.659000112.8Q58 A59 Q60 T64 L65 L66 I84 I112 F113 I116Q58-L62 VanDerWaalsContact O-CB 3.25Å; Q58-L62 WeakPolarHBondContact O-CB 3.27Å; Q58-L62 PolarHBondContact O-N 2.88Å; A59-L62 PolarHBondContact O-N 3.28Å; Q60-L62 VanDerWaalsContact C-N 3.27Å; Q60-L62 PolarHBondContact O-N 2.82Å; L62-T64 VanDerWaalsContact C-N 3.33Å; L62-T64 PolarHBondContact O-N 3.11Å; L62-L65 PolarHBondContact O-N 3.01Å; L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.4Å; L62-I84 HydrophobicContact CD1-CG2 4.15Å; L62-I112 HydrophobicContact CD2-CG2 3.47Å; L62-I112 VanDerWaalsContact CD2-CG2 3.47Å; L62-F113 HydrophobicContact CD1-CD1 4.02Å; L62-F113 HydrophobicContact CD1-CE1 3.54Å; L62-F113 HydrophobicContact CD1-CZ 4.25Å; L62-F113 HydrophobicContact CD2-CE1 4.47Å; L62-I116 HydrophobicContact CD1-CD1 3.61Å; L62-I116 HydrophobicContact CD2-CD1 3.7Å; L62-I116 HydrophobicContact CG-CD1 3.78Å
63V92.5Very high93.7Very high101 Ų10142.9 Ų42.961%0.61225%0.247SC*.Hα-helixtrans-61.2-44.5179171.20000110.8A59 Q60 D67A59-V63 WeakPolarHBondContact O-CG2 3.29Å; A59-V63 PolarHBondContact O-N 3.17Å; A59-V63 VanDerWaalsContact O-N 3.09Å; Q60-V63 PolarHBondContact O-N 2.68Å; V63-D67 WeakPolarHBondContact O-CB 3.36Å; V63-D67 PolarHBondContact O-N 2.84Å
64T94.2Very high93.6Very high18 Ų1845.6 Ų45.611%0.1127%0.269CS..Hα-helixtrans-68.2-42.6-178.954.10000112.6L33 W34 Q60 V61 L62 R68L33-T64 HydrophobicContact CB-CG2 4.3Å; L33-T64 HydrophobicContact CD1-CG2 3.84Å; W34-T64 PolarHBondContact NE1-OG1 3.11Å; Q60-T64 HydrophobicContact CG-CG2 4.42Å; Q60-T64 WeakPolarHBondContact O-CB 3.5Å; Q60-T64 VanDerWaalsContact O-CG2 3.3Å; Q60-T64 WeakPolarHBondContact O-CG2 3.36Å; Q60-T64 PolarHBondContact O-N 3.48Å; Q60-T64 PolarHBondContact O-OG1 2.83Å; V61-T64 WeakPolarHBondContact CA-OG1 3.12Å; V61-T64 PolarHBondContact O-N 3.47Å; V61-T64 PolarHBondContact O-OG1 3.24Å; L62-T64 VanDerWaalsContact C-N 3.33Å; L62-T64 PolarHBondContact O-N 3.11Å; T64-R68 WeakPolarHBondContact O-CB 3.29Å; T64-R68 WeakPolarHBondContact O-CD 3.41Å; T64-R68 WeakPolarHBondContact O-CG 3.42Å; T64-R68 PolarHBondContact O-N 3.07Å; T64-R68 VanDerWaalsContact O-N 3.12Å
65L93.9Very high93.6Very high7 Ų749.5 Ų49.54%0.03729%0.286CS..Hα-helixtrans-66.5-41.1176.4-69.3-178000111.5V61 L62 R68 Q69 I84V61-L65 HydrophobicContact CG1-CD1 3.66Å; V61-L65 HydrophobicContact CG1-CG 4.14Å; V61-L65 WeakPolarHBondContact O-CB 3.4Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.32Å; V61-L65 PolarHBondContact O-N 3.36Å; L62-L65 PolarHBondContact O-N 3.01Å; L65-R68 PolarHBondContact O-N 3.29Å; L65-Q69 WeakPolarHBondContact O-CB 3.49Å; L65-Q69 WeakPolarHBondContact O-CG 3.21Å; L65-Q69 PolarHBondContact O-N 3Å; L65-I84 HydrophobicContact CB-CG2 3.99Å
66L92.2Very high93.6Very high34 Ų3452 Ų5218%0.17830%0.303CS..Hα-helixtrans-62.9-46.8177.8-176.362.1000112L62 R68 Q69 S70 I116 K120L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.4Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 3.39Å; L66-Q69 PolarHBondContact O-N 2.77Å; L66-S70 VanDerWaalsContact O-CB 3.25Å; L66-S70 WeakPolarHBondContact O-CB 3.26Å; L66-S70 PolarHBondContact O-N 2.79Å; L66-S70 PolarHBondContact O-OG 2.78Å; L66-S70 VanDerWaalsContact O-OG 3.13Å; L66-I116 HydrophobicContact CD1-CG2 3.87Å; L66-I116 HydrophobicContact CD2-CD1 4.23Å; L66-I116 HydrophobicContact CD2-CG1 4.37Å; L66-K120 HydrophobicContact CD1-CB 4.4Å; L66-K120 HydrophobicContact CD1-CG 4.4Å
67D91.8Very high93.6Very high74 Ų7450.6 Ų50.640%0.39629%0.294SS..Hα-helixtrans-56.3-49.5175.3171.263.4000110.9V63 Q69 S70 K71V63-D67 WeakPolarHBondContact O-CB 3.36Å; V63-D67 PolarHBondContact O-N 2.84Å; D67-Q69 PolarHBondContact O-N 3.34Å; D67-S70 PolarHBondContact O-N 2.92Å; D67-S70 PolarHBondContact O-OG 2.83Å; D67-K71 WeakPolarHBondContact O-CG 3.4Å; D67-K71 PolarHBondContact O-N 2.81Å; D67-K71 VanDerWaalsContact OD1-CE 3.28Å; D67-K71 WeakPolarHBondContact OD1-CE 3.21Å; D67-K71 IonicContact OD1-NZ 3.66Å; D67-K71 PolarHBondContact OD1-NZ 3.4Å; D67-K71 VanDerWaalsContact OD2-CE 3.29Å; D67-K71 WeakPolarHBondContact OD2-CE 3.44Å; D67-K71 IonicContact OD2-NZ 2.75Å; D67-K71 PolarHBondContact OD2-NZ 3.26Å
68R91.9Very high93.6Very high39 Ų3952.3 Ų52.315%0.14730%0.3CS..Hα-helixtrans-61.6-44.8-180-70.2173.276.270.7-1.8112.7M27 H28 T64 L65 L66M27-R68 VanDerWaalsContact CB-NH2 3.32Å; M27-R68 HydrophobicContact CE-CB 3.66Å; M27-R68 HydrophobicContact CE-CG 3.86Å; H28-R68 PolarHBondContact O-NH2 2.94Å; T64-R68 WeakPolarHBondContact O-CB 3.29Å; T64-R68 WeakPolarHBondContact O-CD 3.41Å; T64-R68 WeakPolarHBondContact O-CG 3.42Å; T64-R68 PolarHBondContact O-N 3.07Å; T64-R68 VanDerWaalsContact O-N 3.12Å; L65-R68 PolarHBondContact O-N 3.29Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 3.39Å
69Q91.3Very high93.7Very high13 Ų1352.6 Ų52.66%0.06130%0.302CS..Hα-helixtrans-70-31.1-179.4-83.4179-123.200113.1L65 L66 D67 L80 V122L65-Q69 WeakPolarHBondContact O-CB 3.49Å; L65-Q69 WeakPolarHBondContact O-CG 3.21Å; L65-Q69 PolarHBondContact O-N 3Å; L66-Q69 PolarHBondContact O-N 2.77Å; D67-Q69 PolarHBondContact O-N 3.34Å; Q69-L80 HydrophobicContact CG-CD1 3.8Å; Q69-V122 HydrophobicContact CB-CB 4.36Å; Q69-V122 HydrophobicContact CB-CG1 3.66Å; Q69-V122 HydrophobicContact CB-CG2 3.82Å; Q69-V122 HydrophobicContact CG-CG1 4.06Å
70S89.8Confident93.8Very high75 Ų7551.2 Ų51.252%0.52429%0.288SS..Hα-helixtrans-78.9-17.2-179.470.70000114.5L66 D67L66-S70 VanDerWaalsContact O-CB 3.25Å; L66-S70 WeakPolarHBondContact O-CB 3.26Å; L66-S70 PolarHBondContact O-N 2.79Å; L66-S70 PolarHBondContact O-OG 2.78Å; L66-S70 VanDerWaalsContact O-OG 3.13Å; D67-S70 PolarHBondContact O-N 2.92Å; D67-S70 PolarHBondContact O-OG 2.83Å
71K90.9Very high93.9Very high91 Ų9150.2 Ų50.240%0.39628%0.283SS..SBendtrans-65.8141.2179.7-78.8167.7-174.6166.80110.2D67 R78D67-K71 WeakPolarHBondContact O-CG 3.4Å; D67-K71 PolarHBondContact O-N 2.81Å; D67-K71 VanDerWaalsContact OD1-CE 3.28Å; D67-K71 WeakPolarHBondContact OD1-CE 3.21Å; D67-K71 IonicContact OD1-NZ 3.66Å; D67-K71 PolarHBondContact OD1-NZ 3.4Å; D67-K71 VanDerWaalsContact OD2-CE 3.29Å; D67-K71 WeakPolarHBondContact OD2-CE 3.44Å; D67-K71 IonicContact OD2-NZ 2.75Å; D67-K71 PolarHBondContact OD2-NZ 3.26Å; K71-R78 PolarHBondContact O-NH1 3.26Å
72P91.8Very high93.9Very high106 Ų10650.2 Ų50.269%0.68828%0.282SS*.PPolyproline II helixtrans-61.7141.7170.5-23.634.2000111.7R78P72-R78 PolarHBondContact O-NH2 3.18Å
73P92.7Very high93.9Very high86 Ų8649.7 Ų49.756%0.55828%0.279SS*.PPolyproline II helixtrans-58.2136.6171.425.2-32.1000111.9E25 R78E25-P73 WeakPolarHBondContact OE2-CA 3.43Å; P73-R78 HydrophobicContact CB-CB 4.42Å
74T94.9Very high94Very high109 Ų10945 Ų4567%0.66925%0.251SS*.SBendtrans-92.1-12.3175.659.40000112.3E25E25-T74 PolarHBondContact OE1-OG1 3.29Å; E25-T74 PolarHBondContact OE2-N 2.95Å; E25-T74 PolarHBondContact OE2-OG1 3.25Å
75K95.8Very high94Very high83 Ų8345 Ų4536%0.36125%0.25SC..SBendtrans-138.8163.1178.1-59.1179.7174.2-172.90110.7P22 K23 N24 E25 V77P22-K75 VanDerWaalsContact O-CD 3.31Å; P22-K75 WeakPolarHBondContact O-CD 3.32Å; P22-K75 VanDerWaalsContact O-CE 3.23Å; P22-K75 WeakPolarHBondContact O-CE 3.11Å; P22-K75 PolarHBondContact O-NZ 2.77Å; K23-K75 WeakPolarHBondContact O-CB 3.49Å; N24-K75 VanDerWaalsContact C-CD 3.41Å; N24-K75 WeakPolarHBondContact O-CD 3.41Å; N24-K75 PolarHBondContact O-NZ 3.21Å; E25-K75 HydrophobicContact CB-CB 4.03Å; E25-K75 HydrophobicContact CB-CD 4.04Å; E25-K75 HydrophobicContact CB-CG 4.18Å; K75-V77 PolarHBondContact O-N 3.25Å
76P95.9Very high94.1Very high99 Ų9944.7 Ų44.764%0.64325%0.248SC*.SBendtrans-59.6-31.2-175-2635.3000114.6K23 V207K23-P76 HydrophobicContact CB-CG 4.5Å; P76-V207 HydrophobicContact CB-CG1 4.36Å; P76-V207 HydrophobicContact CB-CG2 4.48Å
77V96.6Very high94.3Very high12 Ų1243.1 Ų43.17%0.07324%0.24CC..EExtended strand (participates in β ladder)trans-119.3126.3177.8-178.30000108.7K23 N24 E25 K75 L79 M204 V207K23-V77 PolarHBondContact O-N 3.16Å; N24-V77 WeakPolarHBondContact CA-O 3.28Å; N24-V77 VanDerWaalsContact OD1-CB 3.25Å; N24-V77 WeakPolarHBondContact OD1-CB 3.41Å; N24-V77 WeakPolarHBondContact OD1-CG1 3.1Å; E25-V77 PolarHBondContact N-O 3.19Å; K75-V77 PolarHBondContact O-N 3.25Å; V77-L79 HydrophobicContact CG1-CD1 3.86Å; V77-L79 HydrophobicContact CG1-CG 4.47Å; V77-M204 HydrophobicContact CG2-CB 4.26Å; V77-M204 HydrophobicContact CG2-CE 4.23Å; V77-V207 HydrophobicContact CG2-CB 3.61Å; V77-V207 HydrophobicContact CG2-CG1 3.97Å; V77-V207 HydrophobicContact CG2-CG2 3.65Å
78R96.5Very high94.4Very high49 Ų4940.5 Ų40.519%0.18522%0.224CC..EExtended strand (participates in β ladder)trans-117.1124.2172.2177.4-179.2-79.8-178.8-13.8111E25 M27 K71 P72 P73 L80E25-R78 HydrophobicContact CB-CB 4.44Å; E25-R78 HydrophobicContact CG-CG 4.49Å; E25-R78 CarbonylContact O-C 3.6Å; E25-R78 WeakPolarHBondContact O-CA 3.24Å; E25-R78 IonicContact OE1-CZ 3.86Å; E25-R78 IonicContact OE1-NE 2.73Å; E25-R78 IonicContact OE1-NH2 3.56Å; E25-R78 PolarHBondContact OE1-NH2 2.88Å; E25-R78 IonicContact OE2-CZ 2.68Å; E25-R78 VanDerWaalsContact OE2-CZ 3.24Å; E25-R78 IonicContact OE2-NE 3.97Å; E25-R78 PolarHBondContact OE2-NE 2.88Å; E25-R78 IonicContact OE2-NH2 3.49Å; E25-R78 PolarHBondContact OE2-NH2 2.91Å; M27-R78 HydrophobicContact SD-CG 4.5Å; K71-R78 PolarHBondContact O-NH1 3.26Å; P72-R78 PolarHBondContact O-NH2 3.18Å; P73-R78 HydrophobicContact CB-CB 4.42Å; R78-L80 HydrophobicContact CG-CD2 3.9Å; R78-L80 HydrophobicContact CG-CG 4.18Å
79L97.1Very high94.7Very high8 Ų840.4 Ų40.44%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-106.2121.8171.3-54.792.2000109.8F13 L14 F17 N24 E25 V26 M27 V77 V203F13-L79 HydrophobicContact CE1-CD2 4Å; L14-L79 HydrophobicContact CD2-CB 3.41Å; L14-L79 VanDerWaalsContact CD2-CB 3.41Å; L14-L79 HydrophobicContact CD2-CD2 4.18Å; L14-L79 HydrophobicContact CD2-CG 4.44Å; F17-L79 HydrophobicContact CB-CD1 4.39Å; F17-L79 HydrophobicContact CB-CD2 3.9Å; F17-L79 HydrophobicContact CD2-CD2 4.45Å; F17-L79 HydrophobicContact CG-CD2 4.08Å; N24-L79 HydrophobicContact CB-CD1 3.98Å; E25-L79 PolarHBondContact O-N 2.82Å; V26-L79 WeakPolarHBondContact CA-O 3.37Å; V26-L79 HydrophobicContact CG2-CB 4.35Å; V26-L79 HydrophobicContact CG2-CD1 4.13Å; M27-L79 PolarHBondContact N-O 3.43Å; V77-L79 HydrophobicContact CG1-CD1 3.86Å; V77-L79 HydrophobicContact CG1-CG 4.47Å; L79-V203 HydrophobicContact CD2-CG1 3.94Å
80L96.2Very high95Very high19 Ų1939.8 Ų39.810%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-104.8132178.2-60.4175.6000109.8M1 V2 M27 Q69 R78M1-L80 HydrophobicContact CG-CB 4.44Å; M1-L80 HydrophobicContact CG-CD1 4.26Å; V2-L80 PolarHBondContact N-O 3.21Å; M27-L80 HydrophobicContact CB-CD2 3.52Å; M27-L80 HydrophobicContact CG-CD2 3.84Å; M27-L80 HydrophobicContact SD-CD2 3.42Å; M27-L80 WeakPolarHBondContact SD-CD2 3.48Å; Q69-L80 HydrophobicContact CG-CD1 3.8Å; R78-L80 HydrophobicContact CG-CD2 3.9Å; R78-L80 HydrophobicContact CG-CG 4.18Å
81E97Very high95.3Very high12 Ų1237.3 Ų37.36%0.05620%0.201CC..BIsolated β-bridgetrans-80.2115.7168-160.2161.1-175.200109.6K10 S11 L14 M27 H28 E29K10-E81 HydrophobicContact CB-CG 3.99Å; K10-E81 WeakPolarHBondContact CB-OE1 3.35Å; K10-E81 HydrophobicContact CD-CG 4.18Å; S11-E81 PolarHBondContact N-OE1 3.05Å; S11-E81 PolarHBondContact OG-OE1 2.93Å; L14-E81 HydrophobicContact CD1-CB 3.4Å; L14-E81 HydrophobicContact CD1-CG 3.64Å; M27-E81 PolarHBondContact O-N 3.39Å; H28-E81 WeakPolarHBondContact CA-OE2 3.36Å; H28-E81 IonicContact CG-OE2 2.6Å; H28-E81 IonicContact ND1-OE2 2.96Å; H28-E81 PolarHBondContact ND1-OE2 2.88Å; E29-E81 HydrophobicContact CB-CB 4.25Å; E29-E81 HydrophobicContact CB-CG 4.07Å; E29-E81 PolarHBondContact N-OE2 3.44Å; E29-E81 VanDerWaalsContact N-OE2 3.11Å
82R95.5Very high95.6Very high8 Ų833 Ų333%0.0318%0.182CC..SBendtrans60-178.6-172.3-59.6-164.8-173.6-81.71.2114.4V2 E3 G4 K10 E29 F91V2-R82 PolarHBondContact O-N 2.9Å; E3-R82 WeakPolarHBondContact OE2-CA 3.42Å; G4-R82 PolarHBondContact O-NH1 3.03Å; G4-R82 PolarHBondContact O-NH2 3.29Å; K10-R82 HydrophobicContact CD-CG 4.32Å; K10-R82 VanDerWaalsContact NZ-NH2 3.17Å; E29-R82 WeakPolarHBondContact OE1-CD 3.45Å; E29-R82 IonicContact OE1-NE 2.62Å; E29-R82 PolarHBondContact OE1-NE 3.24Å; E29-R82 VanDerWaalsContact OE1-NE 3.11Å; R82-F91 VanDerWaalsContact NH1-CE2 3.29Å
83S94.5Very high95.9Very high0 Ų028.9 Ų28.90%015%0.154CC..  trans-155.3168.3176.7670000113M1 E3 H85 S86 S87M1-S83 WeakPolarHBondContact CE-OG 3.21Å; M1-S83 WeakPolarHBondContact SD-CB 3.38Å; E3-S83 VanDerWaalsContact OE1-CB 3.26Å; E3-S83 WeakPolarHBondContact OE1-CB 3.41Å; E3-S83 PolarHBondContact OE1-N 3.22Å; E3-S83 PolarHBondContact OE1-OG 3.34Å; S83-H85 PolarHBondContact O-N 3.36Å; S83-H85 VanDerWaalsContact O-N 3.08Å; S83-H85 WeakPolarHBondContact OG-CB 3.23Å; S83-H85 PolarHBondContact OG-N 2.89Å; S83-S86 PolarHBondContact N-OG 3.4Å; S83-S86 PolarHBondContact O-N 3Å; S83-S86 VanDerWaalsContact O-N 3.11Å; S83-S86 PolarHBondContact O-OG 3.02Å; S83-S86 PolarHBondContact OG-N 3.35Å; S83-S87 PolarHBondContact O-N 3.04Å; S83-S87 VanDerWaalsContact O-N 3.16Å
84I94.4Very high96.2Very high3 Ų324.9 Ų24.92%0.01513%0.128CC..Hα-helixtrans-51-27.5166.964.3177000112.6L62 L65 S87 R88 I116 L117L62-I84 HydrophobicContact CD1-CG2 4.15Å; L65-I84 HydrophobicContact CB-CG2 3.99Å; I84-S87 WeakPolarHBondContact O-CB 3.46Å; I84-S87 PolarHBondContact O-N 3.11Å; I84-R88 WeakPolarHBondContact O-CB 3.36Å; I84-R88 PolarHBondContact O-N 2.92Å; I84-I116 HydrophobicContact CD1-CG2 3.79Å; I84-L117 HydrophobicContact CD1-CD2 4.05Å
85H94.5Very high96.3Very high18 Ų1819.8 Ų19.88%0.08310%0.097CC..Hα-helixtrans-71.3-45.7179-56.2-81.3000111.3S83 S87 R88 Y89 W167S83-H85 PolarHBondContact O-N 3.36Å; S83-H85 VanDerWaalsContact O-N 3.08Å; S83-H85 WeakPolarHBondContact OG-CB 3.23Å; S83-H85 PolarHBondContact OG-N 2.89Å; H85-S87 VanDerWaalsContact C-N 3.27Å; H85-S87 PolarHBondContact O-N 3.43Å; H85-R88 PolarHBondContact O-N 2.62Å; H85-Y89 HydrophobicContact CB-CD2 3.96Å; H85-Y89 HydrophobicContact CB-CE2 4.01Å; H85-Y89 AromaticContact ND1-CE2 3.96Å; H85-Y89 WeakPolarHBondContact O-CB 3.43Å; H85-Y89 WeakPolarHBondContact O-CD2 3.3Å; H85-Y89 PolarHBondContact O-N 2.97Å; H85-W167 HydrophobicContact CB-CH2 3.49Å; H85-W167 VanDerWaalsContact CB-CH2 3.49Å; H85-W167 HydrophobicContact CB-CZ2 3.22Å
86S95.7Very high96.4Very high1 Ų118.1 Ų18.11%0.0079%0.09CC..Hα-helixtrans-64.2-34174.370.60000112.4E3 S83 C90 F91E3-S86 WeakPolarHBondContact OE2-CB 3.35Å; E3-S86 PolarHBondContact OE2-OG 3.13Å; S83-S86 PolarHBondContact N-OG 3.4Å; S83-S86 PolarHBondContact O-N 3Å; S83-S86 VanDerWaalsContact O-N 3.11Å; S83-S86 PolarHBondContact O-OG 3.02Å; S83-S86 PolarHBondContact OG-N 3.35Å; S86-C90 WeakPolarHBondContact O-CA 3.2Å; S86-C90 VanDerWaalsContact O-CB 3.3Å; S86-C90 WeakPolarHBondContact O-CB 3.13Å; S86-C90 PolarHBondContact O-N 3.41Å; S86-F91 WeakPolarHBondContact O-CD2 3.16Å; S86-F91 PolarHBondContact O-N 3.04Å; S86-F91 VanDerWaalsContact O-N 3.09Å
87S95.5Very high96.5Very high0 Ų018.7 Ų18.70%09%0.088CC..Iπ-helixtrans-60.8-45.2173.2-178.50000111.3Q58 S83 I84 H85 T92Q58-S87 PolarHBondContact OE1-OG 3.18Å; Q58-S87 VanDerWaalsContact OE1-OG 3.13Å; S83-S87 PolarHBondContact O-N 3.04Å; S83-S87 VanDerWaalsContact O-N 3.16Å; I84-S87 WeakPolarHBondContact O-CB 3.46Å; I84-S87 PolarHBondContact O-N 3.11Å; H85-S87 VanDerWaalsContact C-N 3.27Å; H85-S87 PolarHBondContact O-N 3.43Å; S87-T92 WeakPolarHBondContact O-CB 3.42Å; S87-T92 PolarHBondContact O-N 2.58Å; S87-T92 PolarHBondContact O-OG1 3.19Å
88R95.1Very high96.4Very high19 Ų1921.1 Ų21.17%0.07210%0.1CC..Iπ-helixtrans-68.6-59.1176.3174.857.2-167.277.3-8.4112.9I84 H85 E93 Y106 L110 F113I84-R88 WeakPolarHBondContact O-CB 3.36Å; I84-R88 PolarHBondContact O-N 2.92Å; H85-R88 PolarHBondContact O-N 2.62Å; R88-E93 IonicContact CZ-OE1 3.49Å; R88-E93 IonicContact NH1-OE1 2.82Å; R88-E93 PolarHBondContact NH1-OE1 2.92Å; R88-E93 IonicContact NH2-OE1 3.72Å; R88-E93 PolarHBondContact NH2-OE1 3.43Å; R88-Y106 PolarHBondContact NH2-OH 3.4Å; R88-Y106 VanDerWaalsContact NH2-OH 3.17Å; R88-L110 VanDerWaalsContact NH2-CD1 3.27Å; R88-F113 HydrophobicContact CB-CB 4.48Å; R88-F113 HydrophobicContact CB-CD1 3.62Å; R88-F113 HydrophobicContact CB-CD2 4.13Å; R88-F113 HydrophobicContact CB-CE1 3.67Å; R88-F113 HydrophobicContact CB-CE2 4.21Å; R88-F113 HydrophobicContact CB-CG 3.85Å; R88-F113 HydrophobicContact CB-CZ 3.98Å; R88-F113 VanDerWaalsContact CD-CG 3.46Å; R88-F113 HydrophobicContact CG-CB 4.16Å; R88-F113 HydrophobicContact CG-CD1 4.23Å; R88-F113 HydrophobicContact CG-CD2 4.21Å; R88-F113 HydrophobicContact CG-CG 3.98Å
89Y97.1Very high96.4Very high38 Ų3821 Ų2115%0.14912%0.115CC..Iπ-helixtrans-89.1-15.3-163.6-58.1-55.1000114H85 E93 W167 F173H85-Y89 HydrophobicContact CB-CD2 3.96Å; H85-Y89 HydrophobicContact CB-CE2 4.01Å; H85-Y89 AromaticContact ND1-CE2 3.96Å; H85-Y89 WeakPolarHBondContact O-CB 3.43Å; H85-Y89 WeakPolarHBondContact O-CD2 3.3Å; H85-Y89 PolarHBondContact O-N 2.97Å; Y89-E93 WeakPolarHBondContact O-CG 3.44Å; Y89-W167 AromaticContact CD2-CD1 3.78Å; Y89-W167 HydrophobicContact CD2-CD2 4Å; Y89-W167 AromaticContact CD2-CE2 3.68Å; Y89-W167 HydrophobicContact CD2-CG 4.11Å; Y89-W167 HydrophobicContact CD2-CZ2 4.25Å; Y89-W167 AromaticContact CD2-NE1 3.49Å; Y89-W167 AromaticContact CE2-NE1 3.9Å; Y89-W167 HydrophobicContact CG-CD2 4.46Å; Y89-W167 HydrophobicContact CG-CG 4.28Å; Y89-F173 HydrophobicContact CD1-CB 3.62Å; Y89-F173 AromaticContact CD1-CD1 3.61Å; Y89-F173 HydrophobicContact CD1-CD1 3.61Å; Y89-F173 AromaticContact CD1-CD2 3.76Å; Y89-F173 HydrophobicContact CD1-CD2 3.76Å; Y89-F173 HydrophobicContact CD1-CE1 4.17Å; Y89-F173 HydrophobicContact CD1-CE2 4.32Å; Y89-F173 AromaticContact CD1-CG 3.36Å; Y89-F173 HydrophobicContact CD1-CG 3.36Å; Y89-F173 HydrophobicContact CD1-CZ 4.5Å; Y89-F173 HydrophobicContact CE1-CB 3.58Å; Y89-F173 HydrophobicContact CE1-CD1 4.06Å; Y89-F173 AromaticContact CE1-CG 3.84Å; Y89-F173 HydrophobicContact CE1-CG 3.84Å; Y89-F173 HydrophobicContact CG-CB 4.21Å; Y89-F173 AromaticContact CG-CD2 3.88Å; Y89-F173 HydrophobicContact CG-CD2 3.88Å; Y89-F173 HydrophobicContact CG-CE2 4.39Å; Y89-F173 AromaticContact CG-CG 3.96Å; Y89-F173 HydrophobicContact CG-CG 3.96Å
90C98Very high96.4Very high0 Ų021.2 Ų21.20%012%0.116CC..Iπ-helixtrans-114-60.9175.8-53.50000111.4S86 N94 L163S86-C90 WeakPolarHBondContact O-CA 3.2Å; S86-C90 VanDerWaalsContact O-CB 3.3Å; S86-C90 WeakPolarHBondContact O-CB 3.13Å; S86-C90 PolarHBondContact O-N 3.41Å; C90-N94 WeakPolarHBondContact O-CB 3.26Å; C90-N94 PolarHBondContact O-N 2.72Å; C90-L163 HydrophobicContact CB-CB 4.25Å; C90-L163 VanDerWaalsContact O-CD1 3.27Å; C90-L163 WeakPolarHBondContact O-CD1 3.02Å
91F96.9Very high96.5Very high23 Ų2320.7 Ų20.710%0.10111%0.114CC..Iπ-helixtrans-73.1-46.9-169.9-69.2-78.1000113.6R82 S86 N94 M95 L160R82-F91 VanDerWaalsContact NH1-CE2 3.29Å; S86-F91 WeakPolarHBondContact O-CD2 3.16Å; S86-F91 PolarHBondContact O-N 3.04Å; S86-F91 VanDerWaalsContact O-N 3.09Å; F91-N94 PolarHBondContact O-N 3.36Å; F91-M95 VanDerWaalsContact O-CG 3.26Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 2.96Å; F91-L160 HydrophobicContact CD1-CD1 4.49Å; F91-L160 HydrophobicContact CD1-CD2 4.1Å; F91-L160 HydrophobicContact CE1-CD1 3.84Å; F91-L160 HydrophobicContact CE1-CD2 4.16Å; F91-L160 HydrophobicContact CZ-CD1 4.48Å
92T97.1Very high96.5Very high0 Ų022.8 Ų22.80%013%0.13CC..Iπ-helixtrans-67.1-41.3179-59.90000111.2S87 N94 M95 H96 I101 Y106 L109 F113S87-T92 WeakPolarHBondContact O-CB 3.42Å; S87-T92 PolarHBondContact O-N 2.58Å; S87-T92 PolarHBondContact O-OG1 3.19Å; T92-N94 PolarHBondContact O-N 3.42Å; T92-M95 PolarHBondContact O-N 3.43Å; T92-H96 PolarHBondContact O-N 2.87Å; T92-I101 HydrophobicContact CG2-CD1 4.28Å; T92-Y106 HydrophobicContact CG2-CD2 4.03Å; T92-Y106 HydrophobicContact CG2-CE2 4.26Å; T92-L109 HydrophobicContact CG2-CB 4.15Å; T92-L109 HydrophobicContact CG2-CD1 3.9Å; T92-F113 HydrophobicContact CG2-CE2 4.25Å; T92-F113 WeakPolarHBondContact OG1-CE2 3.18Å
93E97.7Very high96.6Very high20 Ų2028 Ų289%0.09316%0.158CC..Hα-helixtrans-58.2-46.6172.2-70.8-64140.200111.6R88 Y89 M95 H96 N97 Y106 L163 F173R88-E93 IonicContact CZ-OE1 3.49Å; R88-E93 IonicContact NH1-OE1 2.82Å; R88-E93 PolarHBondContact NH1-OE1 2.92Å; R88-E93 IonicContact NH2-OE1 3.72Å; R88-E93 PolarHBondContact NH2-OE1 3.43Å; Y89-E93 WeakPolarHBondContact O-CG 3.44Å; E93-M95 VanDerWaalsContact C-N 3.35Å; E93-M95 PolarHBondContact O-N 2.82Å; E93-H96 PolarHBondContact O-N 3.28Å; E93-N97 WeakPolarHBondContact O-CB 3.45Å; E93-N97 PolarHBondContact O-N 3.36Å; E93-N97 PolarHBondContact O-ND2 3.24Å; E93-Y106 WeakPolarHBondContact OE1-CE2 3.41Å; E93-Y106 PolarHBondContact OE1-OH 3.08Å; E93-L163 HydrophobicContact CB-CD1 4.09Å; E93-L163 HydrophobicContact CB-CD2 3.9Å; E93-F173 HydrophobicContact CG-CE1 4.31Å; E93-F173 HydrophobicContact CG-CZ 4.05Å
94N97.9Very high96.8Very high2 Ų231.2 Ų31.21%0.01119%0.185CC..Hα-helixtrans-61.4-43.1178.4-172.475.4000112.5C90 F91 T92 H96 N97 N98 Y156 D159 L160 L163C90-N94 WeakPolarHBondContact O-CB 3.26Å; C90-N94 PolarHBondContact O-N 2.72Å; F91-N94 PolarHBondContact O-N 3.36Å; T92-N94 PolarHBondContact O-N 3.42Å; N94-H96 VanDerWaalsContact C-N 3.26Å; N94-H96 PolarHBondContact O-N 3.13Å; N94-N97 PolarHBondContact O-N 3.25Å; N94-N98 WeakPolarHBondContact O-CB 3.41Å; N94-N98 PolarHBondContact O-N 2.96Å; N94-N98 PolarHBondContact O-OD1 3.43Å; N94-Y156 WeakPolarHBondContact ND2-CE2 3.48Å; N94-D159 VanDerWaalsContact OD1-CB 3.23Å; N94-D159 WeakPolarHBondContact OD1-CB 3.29Å; N94-L160 HydrophobicContact CB-CD2 3.85Å; N94-L163 HydrophobicContact CB-CD1 3.58Å
95M97.3Very high96.9Very high2 Ų234.1 Ų34.11%0.0120%0.2CC..Hα-helixtrans-62.3-34.5177.7-73.6171.7169.300112.3M46 F57 Q58 F91 T92 E93 N98 S100 I101M46-M95 HydrophobicContact CG-CE 4.14Å; M46-M95 HydrophobicContact SD-CE 3.96Å; F57-M95 HydrophobicContact CD1-CE 4.47Å; Q58-M95 HydrophobicContact CG-CE 3.89Å; Q58-M95 HydrophobicContact CG-SD 3.36Å; Q58-M95 WeakPolarHBondContact CG-SD 3.42Å; Q58-M95 PolarHBondContact NE2-SD 2.85Å; Q58-M95 VanDerWaalsContact NE2-SD 3.4Å; F91-M95 VanDerWaalsContact O-CG 3.26Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 2.96Å; T92-M95 PolarHBondContact O-N 3.43Å; E93-M95 VanDerWaalsContact C-N 3.35Å; E93-M95 PolarHBondContact O-N 2.82Å; M95-N98 WeakPolarHBondContact CA-OD1 3.15Å; M95-N98 PolarHBondContact O-OD1 2.74Å; M95-S100 WeakPolarHBondContact O-CA 3.49Å; M95-S100 PolarHBondContact O-N 2.74Å; M95-I101 HydrophobicContact CB-CD1 4.06Å; M95-I101 HydrophobicContact CB-CG1 4.05Å; M95-I101 HydrophobicContact CB-CG2 4.21Å; M95-I101 PolarHBondContact O-N 2.98Å; M95-I101 VanDerWaalsContact O-N 3.14Å
96H97.9Very high97.1Very high47 Ų4734.5 Ų34.522%0.21820%0.201CC..Hα-helixtrans-73.5-50174.7-177.2-134.6000111.1T92 E93 N94 N98 G99 I101 D103 Y106T92-H96 PolarHBondContact O-N 2.87Å; E93-H96 PolarHBondContact O-N 3.28Å; N94-H96 VanDerWaalsContact C-N 3.26Å; N94-H96 PolarHBondContact O-N 3.13Å; H96-N98 VanDerWaalsContact C-N 3.26Å; H96-N98 PolarHBondContact O-N 2.92Å; H96-G99 PolarHBondContact O-N 3.33Å; H96-I101 HydrophobicContact CB-CD1 4.23Å; H96-I101 HydrophobicContact CB-CG1 4.13Å; H96-D103 IonicContact CD2-OD1 2.69Å; H96-D103 IonicContact CE1-OD1 2.98Å; H96-D103 IonicContact NE2-OD1 3.84Å; H96-D103 PolarHBondContact NE2-OD1 3.16Å; H96-Y106 HydrophobicContact CB-CD2 3.5Å; H96-Y106 VanDerWaalsContact CB-CD2 3.5Å; H96-Y106 HydrophobicContact CB-CE2 4.01Å; H96-Y106 HydrophobicContact CB-CG 3.98Å; H96-Y106 AromaticContact CD2-CG 3.92Å; H96-Y106 AromaticContact CE1-CD1 3.89Å; H96-Y106 AromaticContact CG-CD2 3.63Å; H96-Y106 AromaticContact CG-CG 3.62Å; H96-Y106 AromaticContact ND1-CD1 3.83Å; H96-Y106 AromaticContact ND1-CD2 3.82Å; H96-Y106 AromaticContact ND1-CE1 3.97Å; H96-Y106 AromaticContact ND1-CE2 3.93Å; H96-Y106 AromaticContact ND1-CG 3.75Å
97N97.5Very high97.2Very high111 Ų11138.9 Ų38.959%0.59422%0.222SC*.Hα-helixtrans-58.1-35.9-179.4-70.4-18.8000113.2E93 N94E93-N97 WeakPolarHBondContact O-CB 3.45Å; E93-N97 PolarHBondContact O-N 3.36Å; E93-N97 PolarHBondContact O-ND2 3.24Å; N94-N97 PolarHBondContact O-N 3.25Å
98N96Very high97.3Very high64 Ų6443.8 Ų43.834%0.34224%0.244SC..THydrogen-bonded Turntrans-90.73.2-18079.14.9000113.8Q50 N94 M95 H96 S100Q50-N98 PolarHBondContact OE1-ND2 3.27Å; N94-N98 WeakPolarHBondContact O-CB 3.41Å; N94-N98 PolarHBondContact O-N 2.96Å; N94-N98 PolarHBondContact O-OD1 3.43Å; M95-N98 WeakPolarHBondContact CA-OD1 3.15Å; M95-N98 PolarHBondContact O-OD1 2.74Å; H96-N98 VanDerWaalsContact C-N 3.26Å; H96-N98 PolarHBondContact O-N 2.92Å; N98-S100 VanDerWaalsContact C-N 3.32Å; N98-S100 PolarHBondContact ND2-OG 3.11Å; N98-S100 PolarHBondContact O-N 2.76Å; N98-S100 WeakPolarHBondContact OD1-CB 3.45Å; N98-S100 PolarHBondContact OD1-N 2.8Å; N98-S100 PolarHBondContact OD1-OG 3.49Å
99G96.6Very high97.3Very high47 Ų4743.3 Ų43.349%0.48524%0.243SC..THydrogen-bonded Turntrans71.718.9178.600000115H96 I101H96-G99 PolarHBondContact O-N 3.33Å; G99-I101 VanDerWaalsContact C-N 3.32Å
100S96.6Very high97.2Very high11 Ų1142.7 Ų42.78%0.07724%0.242CC..SBendtrans-75.7-21.3174.8-62.50000113.1Q50 R51 M95 N98Q50-S100 WeakPolarHBondContact CB-OG 3.42Å; Q50-S100 PolarHBondContact OE1-OG 2.91Å; Q50-S100 VanDerWaalsContact OE1-OG 3.09Å; R51-S100 WeakPolarHBondContact CA-O 3.38Å; M95-S100 WeakPolarHBondContact O-CA 3.49Å; M95-S100 PolarHBondContact O-N 2.74Å; N98-S100 VanDerWaalsContact C-N 3.32Å; N98-S100 PolarHBondContact ND2-OG 3.11Å; N98-S100 PolarHBondContact O-N 2.76Å; N98-S100 WeakPolarHBondContact OD1-CB 3.45Å; N98-S100 PolarHBondContact OD1-N 2.8Å; N98-S100 PolarHBondContact OD1-OG 3.49Å
101I97.7Very high97.1Very high9 Ų947.8 Ų47.85%0.04627%0.265CS..SBendtrans-126.1149170.263.7176.5000109.5V55 T92 M95 H96 G99 D105 Y106 L109V55-I101 HydrophobicContact CG2-CB 4.42Å; V55-I101 HydrophobicContact CG2-CG2 3.69Å; T92-I101 HydrophobicContact CG2-CD1 4.28Å; M95-I101 HydrophobicContact CB-CD1 4.06Å; M95-I101 HydrophobicContact CB-CG1 4.05Å; M95-I101 HydrophobicContact CB-CG2 4.21Å; M95-I101 PolarHBondContact O-N 2.98Å; M95-I101 VanDerWaalsContact O-N 3.14Å; H96-I101 HydrophobicContact CB-CD1 4.23Å; H96-I101 HydrophobicContact CB-CG1 4.13Å; G99-I101 VanDerWaalsContact C-N 3.32Å; I101-D105 HydrophobicContact CB-CB 3.96Å; I101-Y106 HydrophobicContact CD1-CD2 4.26Å; I101-L109 HydrophobicContact CD1-CD1 3.94Å
102S97.5Very high97Very high56 Ų5650.4 Ų50.439%0.39228%0.279SS..  trans-73.5164.3176.368.80000111.5A104 D105 Y106S102-A104 PolarHBondContact O-N 2.73Å; S102-D105 WeakPolarHBondContact CB-OD2 3.33Å; S102-D105 PolarHBondContact N-OD2 3.11Å; S102-D105 PolarHBondContact O-N 3.32Å; S102-D105 PolarHBondContact OG-N 2.9Å; S102-D105 VanDerWaalsContact OG-N 3.13Å; S102-D105 PolarHBondContact OG-OD2 2.83Å; S102-Y106 WeakPolarHBondContact O-CB 3.39Å; S102-Y106 PolarHBondContact O-N 2.92Å
103D98.1Very high96.9Very high116 Ų11650.6 Ų50.662%0.6228%0.28SS*.Hα-helixtrans-56.4-37.6171.9-65.2-25.6000111.5H96 Y106 E107H96-D103 IonicContact CD2-OD1 2.69Å; H96-D103 IonicContact CE1-OD1 2.98Å; H96-D103 IonicContact NE2-OD1 3.84Å; H96-D103 PolarHBondContact NE2-OD1 3.16Å; D103-Y106 PolarHBondContact O-N 2.62Å; D103-E107 WeakPolarHBondContact O-CB 3.46Å; D103-E107 VanDerWaalsContact O-CG 3.32Å; D103-E107 WeakPolarHBondContact O-CG 3.27Å; D103-E107 PolarHBondContact O-N 2.91Å
104A97.7Very high96.6Very high68 Ų6855.1 Ų55.156%0.56230%0.301SS*.Hα-helixtrans-65.1-45.3177.400000111.9S102 Y106 E107 E108S102-A104 PolarHBondContact O-N 2.73Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; A104-Y106 PolarHBondContact O-N 3.38Å; A104-E107 PolarHBondContact O-N 3.28Å; A104-E108 WeakPolarHBondContact O-CG 3.42Å; A104-E108 PolarHBondContact O-N 3Å; A104-E108 VanDerWaalsContact O-N 3.11Å
105D97.2Very high96.5Very high64 Ų6462 Ų6234%0.34233%0.327SS..Hα-helixtrans-62.7-42.3176.3-65.2-51.2000111.5V55 I101 S102 E108 L109V55-D105 HydrophobicContact CG2-CB 3.86Å; I101-D105 HydrophobicContact CB-CB 3.96Å; S102-D105 WeakPolarHBondContact CB-OD2 3.33Å; S102-D105 PolarHBondContact N-OD2 3.11Å; S102-D105 PolarHBondContact O-N 3.32Å; S102-D105 PolarHBondContact OG-N 2.9Å; S102-D105 VanDerWaalsContact OG-N 3.13Å; S102-D105 PolarHBondContact OG-OD2 2.83Å; D105-E108 PolarHBondContact O-N 2.96Å; D105-L109 WeakPolarHBondContact O-CG 3.26Å; D105-L109 PolarHBondContact O-N 3.27Å
106Y97.9Very high96.2Very high27 Ų2762.2 Ų62.211%0.10633%0.328CS..Hα-helixtrans-60.8-47.3177.5174-101.2000111.7R88 T92 E93 H96 I101 S102 D103 A104 E108 L109 L110R88-Y106 PolarHBondContact NH2-OH 3.4Å; R88-Y106 VanDerWaalsContact NH2-OH 3.17Å; T92-Y106 HydrophobicContact CG2-CD2 4.03Å; T92-Y106 HydrophobicContact CG2-CE2 4.26Å; E93-Y106 WeakPolarHBondContact OE1-CE2 3.41Å; E93-Y106 PolarHBondContact OE1-OH 3.08Å; H96-Y106 HydrophobicContact CB-CD2 3.5Å; H96-Y106 VanDerWaalsContact CB-CD2 3.5Å; H96-Y106 HydrophobicContact CB-CE2 4.01Å; H96-Y106 HydrophobicContact CB-CG 3.98Å; H96-Y106 AromaticContact CD2-CG 3.92Å; H96-Y106 AromaticContact CE1-CD1 3.89Å; H96-Y106 AromaticContact CG-CD2 3.63Å; H96-Y106 AromaticContact CG-CG 3.62Å; H96-Y106 AromaticContact ND1-CD1 3.83Å; H96-Y106 AromaticContact ND1-CD2 3.82Å; H96-Y106 AromaticContact ND1-CE1 3.97Å; H96-Y106 AromaticContact ND1-CE2 3.93Å; H96-Y106 AromaticContact ND1-CG 3.75Å; I101-Y106 HydrophobicContact CD1-CD2 4.26Å; S102-Y106 WeakPolarHBondContact O-CB 3.39Å; S102-Y106 PolarHBondContact O-N 2.92Å; D103-Y106 PolarHBondContact O-N 2.62Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; A104-Y106 PolarHBondContact O-N 3.38Å; Y106-E108 VanDerWaalsContact C-N 3.34Å; Y106-E108 PolarHBondContact O-N 2.6Å; Y106-L109 PolarHBondContact O-N 3.14Å; Y106-L110 HydrophobicContact CE1-CD2 4.37Å; Y106-L110 WeakPolarHBondContact O-CB 3.48Å; Y106-L110 PolarHBondContact O-N 3.22Å
107E97.7Very high95.8Very high93 Ų9363.2 Ų63.244%0.43533%0.334SS..Hα-helixtrans-62.7-38.1178.3-74.7-62.9158.600112.5D103 A104 L110 K111D103-E107 WeakPolarHBondContact O-CB 3.46Å; D103-E107 VanDerWaalsContact O-CG 3.32Å; D103-E107 WeakPolarHBondContact O-CG 3.27Å; D103-E107 PolarHBondContact O-N 2.91Å; A104-E107 PolarHBondContact O-N 3.28Å; E107-L110 PolarHBondContact O-N 3.44Å; E107-K111 WeakPolarHBondContact O-CG 3.5Å; E107-K111 PolarHBondContact O-N 3.49Å
108E97Very high95.4Very high102 Ų10266.5 Ų66.548%0.47734%0.343SS..Hα-helixtrans-67.3-43.7174.9-68.5-51.6132.600112.1A104 D105 Y106 L110 K111 I112A104-E108 WeakPolarHBondContact O-CG 3.42Å; A104-E108 PolarHBondContact O-N 3Å; A104-E108 VanDerWaalsContact O-N 3.11Å; D105-E108 PolarHBondContact O-N 2.96Å; Y106-E108 VanDerWaalsContact C-N 3.34Å; Y106-E108 PolarHBondContact O-N 2.6Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 2.59Å; E108-K111 PolarHBondContact O-N 3.34Å; E108-K111 IonicContact OE1-NZ 3.11Å; E108-K111 PolarHBondContact OE1-NZ 3.09Å; E108-K111 IonicContact OE2-NZ 2.85Å; E108-I112 WeakPolarHBondContact O-CG1 3.43Å; E108-I112 PolarHBondContact O-N 3Å; E108-I112 VanDerWaalsContact O-N 3.17Å
109L96.3Very high95.1Very high9 Ų967.6 Ų67.65%0.04735%0.349CS..Hα-helixtrans-60.1-42.4173.4-71.2173.5000111.1T92 I101 D105 Y106 K111 I112 F113T92-L109 HydrophobicContact CG2-CB 4.15Å; T92-L109 HydrophobicContact CG2-CD1 3.9Å; I101-L109 HydrophobicContact CD1-CD1 3.94Å; D105-L109 WeakPolarHBondContact O-CG 3.26Å; D105-L109 PolarHBondContact O-N 3.27Å; Y106-L109 PolarHBondContact O-N 3.14Å; L109-K111 PolarHBondContact O-N 2.94Å; L109-I112 WeakPolarHBondContact O-CB 3.48Å; L109-I112 PolarHBondContact O-N 2.78Å; L109-I112 VanDerWaalsContact O-N 3.16Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CB-CE2 4.36Å; L109-F113 WeakPolarHBondContact O-CD2 3.27Å; L109-F113 PolarHBondContact O-N 3.19Å
110L95.4Very high94.5Very high25 Ų2570.5 Ų70.513%0.13135%0.349CS..Hα-helixtrans-58.4-46.2177.618055000112R88 Y106 E107 E108 I112 F113 Q114R88-L110 VanDerWaalsContact NH2-CD1 3.27Å; Y106-L110 HydrophobicContact CE1-CD2 4.37Å; Y106-L110 WeakPolarHBondContact O-CB 3.48Å; Y106-L110 PolarHBondContact O-N 3.22Å; E107-L110 PolarHBondContact O-N 3.44Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 2.59Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.17Å; L110-F113 PolarHBondContact O-N 3.37Å; L110-Q114 HydrophobicContact CD1-CG 4.17Å; L110-Q114 HydrophobicContact CG-CG 4.46Å; L110-Q114 WeakPolarHBondContact O-CB 3.41Å; L110-Q114 WeakPolarHBondContact O-CG 3.45Å; L110-Q114 PolarHBondContact O-N 3.35Å
111K95.9Very high93.1Very high108 Ų10875.3 Ų75.347%0.4738%0.382SS..Hα-helixtrans-58-42.8175.4-71.6169.5-169.6167.90111.8E107 E108 L109 Q114 W115E107-K111 WeakPolarHBondContact O-CG 3.5Å; E107-K111 PolarHBondContact O-N 3.49Å; E108-K111 PolarHBondContact O-N 3.34Å; E108-K111 IonicContact OE1-NZ 3.11Å; E108-K111 PolarHBondContact OE1-NZ 3.09Å; E108-K111 IonicContact OE2-NZ 2.85Å; L109-K111 PolarHBondContact O-N 2.94Å; K111-Q114 PolarHBondContact O-N 2.9Å; K111-W115 WeakPolarHBondContact O-CB 3.38Å; K111-W115 PolarHBondContact O-N 3.39Å
112I94.8Very high92.1Very high78 Ų7875.8 Ų75.840%0.439%0.385SS..Hα-helixtrans-62.5-48.4177.7-62.8165.7000110.2L62 E108 L109 L110 Q114 W115 I116L62-I112 HydrophobicContact CD2-CG2 3.47Å; L62-I112 VanDerWaalsContact CD2-CG2 3.47Å; E108-I112 WeakPolarHBondContact O-CG1 3.43Å; E108-I112 PolarHBondContact O-N 3Å; E108-I112 VanDerWaalsContact O-N 3.17Å; L109-I112 WeakPolarHBondContact O-CB 3.48Å; L109-I112 PolarHBondContact O-N 2.78Å; L109-I112 VanDerWaalsContact O-N 3.16Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.17Å; I112-Q114 PolarHBondContact O-N 2.91Å; I112-W115 PolarHBondContact O-N 3.48Å; I112-I116 HydrophobicContact CG2-CD1 3.88Å; I112-I116 HydrophobicContact CG2-CG1 4.47Å; I112-I116 WeakPolarHBondContact O-CG1 3.39Å; I112-I116 PolarHBondContact O-N 3.08Å
113F93.9Very high91.5Very high4 Ų478 Ų782%0.01840%0.399CS..Hα-helixtrans-61.9-43.2178.3-76.5-68.7000112.4L62 R88 T92 L109 L110 W115 I116 L117L62-F113 HydrophobicContact CD1-CD1 4.02Å; L62-F113 HydrophobicContact CD1-CE1 3.54Å; L62-F113 HydrophobicContact CD1-CZ 4.25Å; L62-F113 HydrophobicContact CD2-CE1 4.47Å; R88-F113 HydrophobicContact CB-CB 4.48Å; R88-F113 HydrophobicContact CB-CD1 3.62Å; R88-F113 HydrophobicContact CB-CD2 4.13Å; R88-F113 HydrophobicContact CB-CE1 3.67Å; R88-F113 HydrophobicContact CB-CE2 4.21Å; R88-F113 HydrophobicContact CB-CG 3.85Å; R88-F113 HydrophobicContact CB-CZ 3.98Å; R88-F113 VanDerWaalsContact CD-CG 3.46Å; R88-F113 HydrophobicContact CG-CB 4.16Å; R88-F113 HydrophobicContact CG-CD1 4.23Å; R88-F113 HydrophobicContact CG-CD2 4.21Å; R88-F113 HydrophobicContact CG-CG 3.98Å; T92-F113 HydrophobicContact CG2-CE2 4.25Å; T92-F113 WeakPolarHBondContact OG1-CE2 3.18Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CB-CE2 4.36Å; L109-F113 WeakPolarHBondContact O-CD2 3.27Å; L109-F113 PolarHBondContact O-N 3.19Å; L110-F113 PolarHBondContact O-N 3.37Å; F113-W115 VanDerWaalsContact C-N 3.31Å; F113-W115 PolarHBondContact O-N 3.16Å; F113-I116 PolarHBondContact O-N 3.01Å; F113-L117 WeakPolarHBondContact O-CB 3.37Å; F113-L117 VanDerWaalsContact O-CG 3.27Å; F113-L117 WeakPolarHBondContact O-CG 3.36Å; F113-L117 PolarHBondContact O-N 2.82Å
114Q92.9Very high91.2Very high115 Ų11573.4 Ų73.454%0.53738%0.375SS..Hα-helixtrans-59.4-42.9175-73.51752.100111.4L110 K111 I112 K118L110-Q114 HydrophobicContact CD1-CG 4.17Å; L110-Q114 HydrophobicContact CG-CG 4.46Å; L110-Q114 WeakPolarHBondContact O-CB 3.41Å; L110-Q114 WeakPolarHBondContact O-CG 3.45Å; L110-Q114 PolarHBondContact O-N 3.35Å; K111-Q114 PolarHBondContact O-N 2.9Å; I112-Q114 PolarHBondContact O-N 2.91Å; Q114-K118 WeakPolarHBondContact O-CB 3.22Å; Q114-K118 PolarHBondContact O-N 3.37Å
115W94.6Very high91.1Very high147 Ų14776.2 Ų76.256%0.55738%0.38SS*.Hα-helixtrans-62.9-44.7176-176.593.6000111.8K111 I112 F113 K118 N119K111-W115 WeakPolarHBondContact O-CB 3.38Å; K111-W115 PolarHBondContact O-N 3.39Å; I112-W115 PolarHBondContact O-N 3.48Å; F113-W115 VanDerWaalsContact C-N 3.31Å; F113-W115 PolarHBondContact O-N 3.16Å; W115-K118 PolarHBondContact O-N 2.88Å; W115-N119 HydrophobicContact CZ2-CB 4.43Å; W115-N119 PolarHBondContact NE1-ND2 2.64Å; W115-N119 WeakPolarHBondContact O-CB 3.25Å; W115-N119 PolarHBondContact O-N 3.34Å; W115-N119 PolarHBondContact O-ND2 3.45Å
116I92.1Very high91.1Very high6 Ų674.3 Ų74.33%0.03137%0.37CS..Hα-helixtrans-62.6-51.9178.6-68.6169.6000110.3L62 L66 I84 I112 F113 K118 N119 K120L62-I116 HydrophobicContact CD1-CD1 3.61Å; L62-I116 HydrophobicContact CD2-CD1 3.7Å; L62-I116 HydrophobicContact CG-CD1 3.78Å; L66-I116 HydrophobicContact CD1-CG2 3.87Å; L66-I116 HydrophobicContact CD2-CD1 4.23Å; L66-I116 HydrophobicContact CD2-CG1 4.37Å; I84-I116 HydrophobicContact CD1-CG2 3.79Å; I112-I116 HydrophobicContact CG2-CD1 3.88Å; I112-I116 HydrophobicContact CG2-CG1 4.47Å; I112-I116 WeakPolarHBondContact O-CG1 3.39Å; I112-I116 PolarHBondContact O-N 3.08Å; F113-I116 PolarHBondContact O-N 3.01Å; I116-K118 PolarHBondContact O-N 2.91Å; I116-N119 PolarHBondContact O-N 3.37Å; I116-K120 HydrophobicContact CG2-CB 4.38Å; I116-K120 WeakPolarHBondContact O-CA 3.09Å; I116-K120 WeakPolarHBondContact O-CB 3.49Å; I116-K120 PolarHBondContact O-N 3.34Å
117L87.9Confident91.1Very high67 Ų6773 Ų7335%0.35137%0.365SS..Hα-helixtrans-62.5-32.3-177.8-67.5174.1000112.4I84 F113I84-L117 HydrophobicContact CD1-CD2 4.05Å; F113-L117 WeakPolarHBondContact O-CB 3.37Å; F113-L117 VanDerWaalsContact O-CG 3.27Å; F113-L117 WeakPolarHBondContact O-CG 3.36Å; F113-L117 PolarHBondContact O-N 2.82Å
118K89.8Confident91.2Very high181 Ų18168.8 Ų68.879%0.78735%0.345SS*.Hα-helixtrans-75.1-39.1176.3-177.3177.6178.2-179.90113.2Q114 W115 I116Q114-K118 WeakPolarHBondContact O-CB 3.22Å; Q114-K118 PolarHBondContact O-N 3.37Å; W115-K118 PolarHBondContact O-N 2.88Å; I116-K118 PolarHBondContact O-N 2.91Å
119N89.7Confident91.3Very high87 Ų8764 Ų6447%0.46532%0.323SS..Hα-helixtrans-105.9-15.6-167.5-65.4-79.8000114.4W115 I116W115-N119 HydrophobicContact CZ2-CB 4.43Å; W115-N119 PolarHBondContact NE1-ND2 2.64Å; W115-N119 WeakPolarHBondContact O-CB 3.25Å; W115-N119 PolarHBondContact O-N 3.34Å; W115-N119 PolarHBondContact O-ND2 3.45Å; I116-N119 PolarHBondContact O-N 3.37Å
120K83Confident91.4Very high108 Ų10863.6 Ų63.647%0.4732%0.321SS..  trans-121.8107.9-179.8-64.2-62.3-171-177.30109.1L66 I116 V122L66-K120 HydrophobicContact CD1-CB 4.4Å; L66-K120 HydrophobicContact CD1-CG 4.4Å; I116-K120 HydrophobicContact CG2-CB 4.38Å; I116-K120 WeakPolarHBondContact O-CA 3.09Å; I116-K120 WeakPolarHBondContact O-CB 3.49Å; I116-K120 PolarHBondContact O-N 3.34Å; K120-V122 PolarHBondContact O-N 3.12Å
121S68.9Low91.5Very high112 Ų11267.1 Ų67.178%0.78333%0.332SS*.  trans-76.7113.1165.4-176.70000108.4
122V75.5Confident91.7Very high19 Ų1962 Ų6212%0.11531%0.31CS..  trans-102.1102.3160.3-177.30000105.4Q69 K120 V124Q69-V122 HydrophobicContact CB-CB 4.36Å; Q69-V122 HydrophobicContact CB-CG1 3.66Å; Q69-V122 HydrophobicContact CB-CG2 3.82Å; Q69-V122 HydrophobicContact CG-CG1 4.06Å; K120-V122 PolarHBondContact O-N 3.12Å; V122-V124 PolarHBondContact O-N 3.12Å
123P84.7Confident91.8Very high103 Ų10359.7 Ų59.767%0.66930%0.301SS*.  trans-61.5134.5178.824.9-32.3000109.9
124V92.9Very high92.1Very high19 Ų1960.4 Ų60.412%0.11531%0.306CS..  trans-128.2118.6176.5-175.30000107.3M1 V122 I127 A178M1-V124 HydrophobicContact CB-CG1 4.42Å; M1-V124 HydrophobicContact CE-CG1 4.35Å; M1-V124 HydrophobicContact CE-CG2 4.42Å; M1-V124 HydrophobicContact CG-CG1 3.85Å; M1-V124 HydrophobicContact CG-CG2 4.2Å; M1-V124 HydrophobicContact SD-CB 4.27Å; M1-V124 HydrophobicContact SD-CG1 3.82Å; M1-V124 HydrophobicContact SD-CG2 3.36Å; M1-V124 WeakPolarHBondContact SD-CG2 3.23Å; V122-V124 PolarHBondContact O-N 3.12Å; V124-I127 HydrophobicContact CG1-CG1 4.17Å; V124-A178 HydrophobicContact CB-CB 4.09Å; V124-A178 HydrophobicContact CG1-CB 3.78Å; V124-A178 WeakPolarHBondContact O-CB 3.49Å
125D95.5Very high92.3Very high127 Ų12758.4 Ų58.468%0.67930%0.301SS*.SBendtrans-86.9-30.1-179.8-49.3-75000112.3
126L97.6Very high92.5Very high24 Ų2452.4 Ų52.413%0.12628%0.281CS..  trans-153.5137.7-178.1-177.268.2000111.4M1 V128 P179 L181 Q202M1-L126 PolarHBondContact N-O 2.67Å; L126-V128 HydrophobicContact CD2-CG2 3.9Å; L126-V128 HydrophobicContact CG-CG2 4.21Å; L126-P179 HydrophobicContact CD1-CB 4.42Å; L126-L181 HydrophobicContact CD1-CB 4.12Å; L126-Q202 WeakPolarHBondContact CD2-O 3.14Å
127I98.2Very high92.7Very high0 Ų052.1 Ų52.10%028%0.28CS..EExtended strand (participates in β ladder)trans-100.5122.6165.1-56.5171.8000108.2M1 E3 V124 L168 L176 P177 A178 P179 I180 L181M1-I127 HydrophobicContact CE-CG1 4.41Å; E3-I127 HydrophobicContact CB-CG2 4.48Å; E3-I127 HydrophobicContact CG-CG2 3.99Å; V124-I127 HydrophobicContact CG1-CG1 4.17Å; I127-L168 HydrophobicContact CG2-CD2 4.01Å; I127-L176 HydrophobicContact CD1-CB 4.12Å; I127-L176 HydrophobicContact CD1-CD1 4.46Å; I127-L176 HydrophobicContact CD1-CD2 4.47Å; I127-P177 HydrophobicContact CD1-CG 4.03Å; I127-A178 HydrophobicContact CG1-CB 4.2Å; I127-P179 PolarHBondContact N-O 3.39Å; I127-I180 HydrophobicContact CB-CG1 4.41Å; I127-I180 HydrophobicContact CG2-CG1 4.39Å; I127-I180 CarbonylContact O-C 3.55Å; I127-I180 VanDerWaalsContact O-CA 3.3Å; I127-I180 WeakPolarHBondContact O-CA 3.47Å; I127-L181 PolarHBondContact O-N 3.11Å
128V98.6Very high93.2Very high4 Ų451.6 Ų51.62%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-101.5114.3170.4176.80000107.9M1 V2 E3 F13 L126 L130 L181 F183 V203M1-V128 PolarHBondContact O-N 2.89Å; V2-V128 CarbonylContact C-O 3.55Å; V2-V128 WeakPolarHBondContact CA-O 3.14Å; V2-V128 HydrophobicContact CG2-CB 4.33Å; E3-V128 PolarHBondContact N-O 3.27Å; F13-V128 HydrophobicContact CE1-CG1 4.18Å; F13-V128 HydrophobicContact CE2-CG1 4.13Å; F13-V128 HydrophobicContact CZ-CG1 3.73Å; F13-V128 HydrophobicContact CZ-CG2 4.42Å; L126-V128 HydrophobicContact CD2-CG2 3.9Å; L126-V128 HydrophobicContact CG-CG2 4.21Å; V128-L130 HydrophobicContact CG1-CD2 3.83Å; V128-L181 CarbonylContact C-O 3.57Å; V128-L181 WeakPolarHBondContact CA-O 3.37Å; V128-F183 HydrophobicContact CG1-CD2 3.67Å; V128-F183 HydrophobicContact CG1-CE2 3.67Å; V128-V203 HydrophobicContact CG2-CG2 4.41Å
129Y98.7Very high93.5Very high1 Ų149.1 Ų49.10%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-100.4114.6176.2178.1-144.4000110.7R131 H164 E165 L168 I169 L181 V182 F183Y129-R131 HydrophobicContact CD1-CB 4.01Å; Y129-R131 HydrophobicContact CD1-CG 4.46Å; Y129-R131 HydrophobicContact CE1-CB 3.61Å; Y129-R131 HydrophobicContact CE1-CG 3.63Å; Y129-R131 HydrophobicContact CE2-CB 4.36Å; Y129-R131 PolarHBondContact O-N 2.82Å; Y129-H164 HydrophobicContact CE2-CB 4.05Å; Y129-E165 WeakPolarHBondContact CE1-OE1 3.42Å; Y129-E165 PolarHBondContact OH-OE1 2.87Å; Y129-L168 HydrophobicContact CD1-CB 4.32Å; Y129-L168 HydrophobicContact CD1-CD1 4.11Å; Y129-L168 HydrophobicContact CD2-CD1 3.5Å; Y129-L168 HydrophobicContact CE2-CD1 3.97Å; Y129-L168 HydrophobicContact CG-CD1 3.6Å; Y129-I169 HydrophobicContact CD1-CD1 4.07Å; Y129-I169 HydrophobicContact CE1-CD1 4.2Å; Y129-I169 HydrophobicContact CE1-CG1 4.22Å; Y129-L181 PolarHBondContact N-O 3.43Å; Y129-V182 HydrophobicContact CD1-CG1 3.95Å; Y129-V182 HydrophobicContact CD1-CG2 4.27Å; Y129-V182 WeakPolarHBondContact O-CA 3.48Å; Y129-F183 PolarHBondContact O-N 2.84Å
130L98.7Very high93.8Very high0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-89.593.7173.4-55.6-172.8000109V2 E3 K10 F13 V128 F183 Y196V2-L130 HydrophobicContact CG1-CD1 3.79Å; V2-L130 HydrophobicContact CG1-CG 3.95Å; E3-L130 PolarHBondContact O-N 3.49Å; K10-L130 HydrophobicContact CB-CD1 4.4Å; K10-L130 HydrophobicContact CG-CD1 4.1Å; F13-L130 HydrophobicContact CB-CD1 3.63Å; F13-L130 HydrophobicContact CD2-CD1 4.35Å; F13-L130 HydrophobicContact CD2-CD2 3.84Å; F13-L130 HydrophobicContact CE2-CD2 4.16Å; F13-L130 HydrophobicContact CG-CD1 3.98Å; F13-L130 HydrophobicContact CG-CD2 4.22Å; V128-L130 HydrophobicContact CG1-CD2 3.83Å; L130-F183 HydrophobicContact CD2-CB 4.01Å; L130-F183 HydrophobicContact CD2-CD2 3.81Å; L130-F183 HydrophobicContact CD2-CG 4.24Å; L130-Y196 HydrophobicContact CD2-CE1 4.47Å
131R98.6Very high94.4Very high100 Ų10043.3 Ų43.338%0.37724%0.235SC..EExtended strand (participates in β ladder)trans-89108.7-174.4-170.1178.5-170.1-147.10.3109.6Y129 E165 V182 F183 C185Y129-R131 HydrophobicContact CD1-CB 4.01Å; Y129-R131 HydrophobicContact CD1-CG 4.46Å; Y129-R131 HydrophobicContact CE1-CB 3.61Å; Y129-R131 HydrophobicContact CE1-CG 3.63Å; Y129-R131 HydrophobicContact CE2-CB 4.36Å; Y129-R131 PolarHBondContact O-N 2.82Å; R131-E165 WeakPolarHBondContact CD-OE1 3.36Å; R131-E165 IonicContact CZ-OE1 3.26Å; R131-E165 IonicContact CZ-OE2 2.91Å; R131-E165 VanDerWaalsContact CZ-OE2 3.26Å; R131-E165 VanDerWaalsContact NE-CD 3.35Å; R131-E165 IonicContact NE-OE1 3.44Å; R131-E165 PolarHBondContact NE-OE1 3.04Å; R131-E165 IonicContact NE-OE2 3.85Å; R131-E165 PolarHBondContact NE-OE2 2.97Å; R131-E165 IonicContact NH2-OE1 2.63Å; R131-E165 IonicContact NH2-OE2 3.61Å; R131-E165 PolarHBondContact NH2-OE2 2.88Å; R131-V182 HydrophobicContact CB-CG1 3.96Å; R131-F183 WeakPolarHBondContact CB-O 3.39Å; R131-F183 PolarHBondContact N-O 3.28Å; R131-C185 PolarHBondContact O-N 2.99Å
132A98.4Very high95.6Very high1 Ų142.9 Ų42.91%0.00822%0.216CC..  trans-127.2150.6172.100000109.2C8 V136 H161 C185C8-A132 HydrophobicContact CB-CB 4.04Å; A132-V136 HydrophobicContact CB-CG1 4.29Å; A132-H161 PolarHBondContact O-ND1 2.92Å; A132-C185 HydrophobicContact CB-CB 4.02Å
133S98.4Very high96.5Very high29 Ų2946.2 Ų46.220%0.20325%0.245CC..  trans-62.6153.717774.20000110.8T135 V136 C137 N186S133-T135 PolarHBondContact O-N 3.46Å; S133-T135 PolarHBondContact OG-OG1 3.27Å; S133-V136 PolarHBondContact O-N 2.84Å; S133-V136 WeakPolarHBondContact OG-CB 3.42Å; S133-V136 WeakPolarHBondContact OG-CG2 3.36Å; S133-V136 PolarHBondContact OG-N 3.13Å; S133-V136 VanDerWaalsContact OG-N 3.09Å; S133-C137 WeakPolarHBondContact O-CB 3.28Å; S133-C137 PolarHBondContact O-N 2.83Å; S133-C137 PolarHBondContact O-SG 2.6Å; S133-N186 WeakPolarHBondContact CB-OD1 3.38Å; S133-N186 PolarHBondContact N-OD1 3.16Å; S133-N186 PolarHBondContact OG-OD1 3.28Å
134P98.5Very high96.9Very high19 Ų1945.8 Ų45.812%0.12323%0.23CC..Hα-helixtrans-53.8-37.8172.4-2836000112.9C137 F138 L154 L157 E158 H161P134-C137 WeakPolarHBondContact O-CB 3.42Å; P134-C137 PolarHBondContact O-N 3.25Å; P134-F138 VanDerWaalsContact O-CB 3.28Å; P134-F138 WeakPolarHBondContact O-CB 3.14Å; P134-F138 PolarHBondContact O-N 2.94Å; P134-L154 HydrophobicContact CB-CD1 3.91Å; P134-L157 HydrophobicContact CB-CB 4.27Å; P134-E158 HydrophobicContact CB-CB 4.41Å; P134-E158 HydrophobicContact CB-CG 3.62Å; P134-E158 HydrophobicContact CG-CB 4.32Å; P134-E158 HydrophobicContact CG-CG 3.86Å; P134-H161 HydrophobicContact CG-CB 3.73Å
135T98.2Very high96.7Very high72 Ų7250.6 Ų50.644%0.44226%0.255SS..Hα-helixtrans-65-48.1178.752.90000112.4S133 C137 F138 E139 L154S133-T135 PolarHBondContact O-N 3.46Å; S133-T135 PolarHBondContact OG-OG1 3.27Å; T135-C137 VanDerWaalsContact C-N 3.31Å; T135-C137 PolarHBondContact O-N 2.87Å; T135-F138 WeakPolarHBondContact O-CB 3.44Å; T135-F138 PolarHBondContact O-N 3.22Å; T135-E139 WeakPolarHBondContact O-CG 3.46Å; T135-E139 PolarHBondContact O-N 3.3Å; T135-L154 HydrophobicContact CG2-CD1 4.42Å; T135-L154 HydrophobicContact CG2-CD2 4.42Å
136V98Very high96.3Very high22 Ų2247.5 Ų47.513%0.13323%0.234CC..Hα-helixtrans-63.2-40.3175.81690000110.8A132 S133 F138 R140 N186A132-V136 HydrophobicContact CB-CG1 4.29Å; S133-V136 PolarHBondContact O-N 2.84Å; S133-V136 WeakPolarHBondContact OG-CB 3.42Å; S133-V136 WeakPolarHBondContact OG-CG2 3.36Å; S133-V136 PolarHBondContact OG-N 3.13Å; S133-V136 VanDerWaalsContact OG-N 3.09Å; V136-F138 VanDerWaalsContact C-N 3.33Å; V136-R140 WeakPolarHBondContact O-CB 3.42Å; V136-R140 VanDerWaalsContact O-CG 3.26Å; V136-R140 WeakPolarHBondContact O-CG 3.42Å; V136-R140 PolarHBondContact O-N 3.4Å; V136-N186 HydrophobicContact CG2-CB 4.46Å; V136-N186 WeakPolarHBondContact CG2-OD1 3.09Å
137C98Very high95.8Very high0 Ų049.1 Ų49.10%025%0.247CC..Hα-helixtrans-60.7-43.9174.9-72.60000111.7I6 S133 P134 T135 R140 L141 L157I6-C137 WeakPolarHBondContact O-CB 3.39Å; S133-C137 WeakPolarHBondContact O-CB 3.28Å; S133-C137 PolarHBondContact O-N 2.83Å; S133-C137 PolarHBondContact O-SG 2.6Å; P134-C137 WeakPolarHBondContact O-CB 3.42Å; P134-C137 PolarHBondContact O-N 3.25Å; T135-C137 VanDerWaalsContact C-N 3.31Å; T135-C137 PolarHBondContact O-N 2.87Å; C137-R140 PolarHBondContact O-N 2.89Å; C137-L141 VanDerWaalsContact O-CB 3.24Å; C137-L141 WeakPolarHBondContact O-CB 3.19Å; C137-L141 PolarHBondContact O-N 3.43Å; C137-L157 HydrophobicContact CB-CD1 4.19Å
138F97.4Very high95Very high56 Ų5649.6 Ų49.625%0.24625%0.252CS..Hα-helixtrans-63.2-49.7178.3-172.4-106000111.4P134 T135 V136 R140 L141 R142 I152 L154 L157P134-F138 VanDerWaalsContact O-CB 3.28Å; P134-F138 WeakPolarHBondContact O-CB 3.14Å; P134-F138 PolarHBondContact O-N 2.94Å; T135-F138 WeakPolarHBondContact O-CB 3.44Å; T135-F138 PolarHBondContact O-N 3.22Å; V136-F138 VanDerWaalsContact C-N 3.33Å; F138-R140 VanDerWaalsContact C-N 3.32Å; F138-R140 PolarHBondContact O-N 2.79Å; F138-L141 WeakPolarHBondContact O-CB 3.32Å; F138-L141 PolarHBondContact O-N 3.43Å; F138-L141 VanDerWaalsContact O-N 3.16Å; F138-R142 HydrophobicContact CD1-CG 4.26Å; F138-R142 HydrophobicContact CE1-CG 4.07Å; F138-R142 HydrophobicContact CZ-CG 4.26Å; F138-R142 VanDerWaalsContact O-CG 3.26Å; F138-R142 WeakPolarHBondContact O-CG 3.37Å; F138-R142 PolarHBondContact O-N 3.47Å; F138-I152 WeakPolarHBondContact CE2-O 3.45Å; F138-L154 HydrophobicContact CB-CD1 3.84Å; F138-L154 HydrophobicContact CD2-CB 4.18Å; F138-L154 HydrophobicContact CE2-CB 4.34Å; F138-L154 HydrophobicContact CG-CB 4.43Å; F138-L154 HydrophobicContact CG-CD1 4.17Å; F138-L157 HydrophobicContact CB-CD1 3.73Å; F138-L157 HydrophobicContact CD2-CD1 3.91Å; F138-L157 HydrophobicContact CG-CD1 4.34Å
139E96.5Very high94.5Very high128 Ų12849.7 Ų49.760%0.59825%0.252SS*.Hα-helixtrans-56.6-44.9176.5-71.5170.8-175.300111.9T135 R142 A143T135-E139 WeakPolarHBondContact O-CG 3.46Å; T135-E139 PolarHBondContact O-N 3.3Å; E139-R142 PolarHBondContact O-N 3.25Å; E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 2.81Å
140R96.2Very high93.9Very high71 Ų7153.2 Ų53.227%0.26827%0.269SS..Hα-helixtrans-67.3-37177.7-71.6172.3-179.5168.56.1112.7G7 C8 V136 C137 F138 R144 C185 A187G7-R140 WeakPolarHBondContact O-CB 3.38Å; G7-R140 WeakPolarHBondContact O-CD 3.21Å; C8-R140 PolarHBondContact O-NH1 3.22Å; C8-R140 VanDerWaalsContact O-NH1 3.12Å; V136-R140 WeakPolarHBondContact O-CB 3.42Å; V136-R140 VanDerWaalsContact O-CG 3.26Å; V136-R140 WeakPolarHBondContact O-CG 3.42Å; V136-R140 PolarHBondContact O-N 3.4Å; C137-R140 PolarHBondContact O-N 2.89Å; F138-R140 VanDerWaalsContact C-N 3.32Å; F138-R140 PolarHBondContact O-N 2.79Å; R140-R144 WeakPolarHBondContact O-CB 3.43Å; R140-R144 PolarHBondContact O-N 3.41Å; R140-C185 VanDerWaalsContact CZ-O 3.23Å; R140-C185 PolarHBondContact NH1-O 3.42Å; R140-C185 PolarHBondContact NH2-O 3.42Å; R140-A187 PolarHBondContact NH2-O 3.47Å
141L94.3Very high93.4Very high3 Ų360.4 Ų60.42%0.01631%0.308CS..Hα-helixtrans-62-47.7174.4-177.4161.4000110.1I6 C137 F138 R144 N145 E149 I152 L157I6-L141 HydrophobicContact CG2-CD1 3.77Å; C137-L141 VanDerWaalsContact O-CB 3.24Å; C137-L141 WeakPolarHBondContact O-CB 3.19Å; C137-L141 PolarHBondContact O-N 3.43Å; F138-L141 WeakPolarHBondContact O-CB 3.32Å; F138-L141 PolarHBondContact O-N 3.43Å; F138-L141 VanDerWaalsContact O-N 3.16Å; L141-R144 PolarHBondContact O-N 2.92Å; L141-N145 PolarHBondContact O-N 2.99Å; L141-N145 VanDerWaalsContact O-N 3.14Å; L141-E149 HydrophobicContact CD2-CB 4.31Å; L141-E149 WeakPolarHBondContact CD2-O 3.48Å; L141-E149 HydrophobicContact CG-CB 4.49Å; L141-I152 HydrophobicContact CD1-CB 4.2Å; L141-I152 HydrophobicContact CD1-CD1 4.07Å; L141-I152 HydrophobicContact CD1-CG2 4.14Å; L141-L157 HydrophobicContact CD1-CD1 4.25Å; L141-L157 HydrophobicContact CD1-CD2 4.34Å
142R94.4Very high93.1Very high102 Ų10255.9 Ų55.939%0.38529%0.291SS..Hα-helixtrans-62.1-44.5176.4-62.5-65.4164.5-178.8-12.5112.2F138 E139 R144 N145 E150 I152F138-R142 HydrophobicContact CD1-CG 4.26Å; F138-R142 HydrophobicContact CE1-CG 4.07Å; F138-R142 HydrophobicContact CZ-CG 4.26Å; F138-R142 VanDerWaalsContact O-CG 3.26Å; F138-R142 WeakPolarHBondContact O-CG 3.37Å; F138-R142 PolarHBondContact O-N 3.47Å; E139-R142 PolarHBondContact O-N 3.25Å; R142-R144 VanDerWaalsContact C-N 3.29Å; R142-R144 PolarHBondContact O-N 2.95Å; R142-N145 PolarHBondContact O-N 2.95Å; R142-E150 PolarHBondContact NH1-O 2.93Å; R142-E150 PolarHBondContact NH2-O 3.42Å; R142-I152 PolarHBondContact NH2-O 3.25Å
143A94.1Very high93Very high89 Ų8959.2 Ų59.274%0.73631%0.312SS*.Hα-helixtrans-63.9-33.1177.700000113.1E139E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 2.81Å
144R92.8Very high92.9Very high94 Ų9460.3 Ų60.336%0.35532%0.316SS..Hα-helixtrans-73.1-30.8176.4-178.5173.370.6-173.5-1.6112.8R140 L141 R142 R146 E149R140-R144 WeakPolarHBondContact O-CB 3.43Å; R140-R144 PolarHBondContact O-N 3.41Å; L141-R144 PolarHBondContact O-N 2.92Å; R142-R144 VanDerWaalsContact C-N 3.29Å; R142-R144 PolarHBondContact O-N 2.95Å; R144-R146 HydrophobicContact CG-CB 4.33Å; R144-R146 PolarHBondContact O-N 3.38Å; R144-E149 IonicContact CZ-OE1 3.6Å; R144-E149 IonicContact CZ-OE2 2.74Å; R144-E149 IonicContact NE-OE2 3.89Å; R144-E149 PolarHBondContact NE-OE2 2.88Å; R144-E149 IonicContact NH2-OE1 3.24Å; R144-E149 PolarHBondContact NH2-OE1 3Å; R144-E149 IonicContact NH2-OE2 3.64Å; R144-E149 PolarHBondContact NH2-OE2 3.22Å
145N89.6Confident92.9Very high120 Ų12064.5 Ų64.564%0.64233%0.332SS*.  trans4752.6177.1-163.643.4000113.6L141 R142L141-N145 PolarHBondContact O-N 2.99Å; L141-N145 VanDerWaalsContact O-N 3.14Å; R142-N145 PolarHBondContact O-N 2.95Å
146R87.7Confident92.8Very high63 Ų6361.7 Ų61.724%0.23831%0.314CS..  trans-85.5133.9-179.3-176.6-169.5-70.3170-18.3110L31 R144 G148 E149L31-R146 VanDerWaalsContact CD1-CZ 3.41Å; R144-R146 HydrophobicContact CG-CB 4.33Å; R144-R146 PolarHBondContact O-N 3.38Å; R146-G148 PolarHBondContact O-N 2.86Å; R146-E149 WeakPolarHBondContact CD-OE1 3.08Å; R146-E149 IonicContact CZ-OE1 3.76Å; R146-E149 IonicContact NE-OE1 3.5Å; R146-E149 IonicContact NH1-OE1 2.65Å; R146-E149 PolarHBondContact NH1-OE1 3.14Å; R146-E149 WeakPolarHBondContact O-CB 3.42Å; R146-E149 PolarHBondContact O-N 3.4Å; R146-E149 VanDerWaalsContact O-N 3.13Å
147S85.6Confident92.8Very high57 Ų5760.7 Ų60.740%0.39931%0.307SS..THydrogen-bonded Turntrans-54.9131.6172.1151.80000113.4K35 E150K35-S147 PolarHBondContact NZ-O 3.21Å; S147-E150 VanDerWaalsContact CA-OE1 3.27Å; S147-E150 WeakPolarHBondContact CA-OE1 3.34Å
148G82Confident92.8Very high10 Ų1064 Ų6410%0.10332%0.323CS..THydrogen-bonded Turntrans90.8-4.2-174.700000114.4Y47 R146 E150Y47-G148 WeakPolarHBondContact CD2-O 3.4Å; R146-G148 PolarHBondContact O-N 2.86Å; G148-E150 WeakPolarHBondContact CA-OE2 3.36Å; G148-E150 PolarHBondContact N-OE2 3.34Å
149E87.9Confident92.9Very high6 Ų663 Ų633%0.02832%0.32CS..  trans-114.4-1.9-179-63.1178.1175.900113F43 L141 R144 R146 D151 I152F43-E149 HydrophobicContact CE1-CG 3.96Å; F43-E149 HydrophobicContact CZ-CG 3.81Å; L141-E149 HydrophobicContact CD2-CB 4.31Å; L141-E149 WeakPolarHBondContact CD2-O 3.48Å; L141-E149 HydrophobicContact CG-CB 4.49Å; R144-E149 IonicContact CZ-OE1 3.6Å; R144-E149 IonicContact CZ-OE2 2.74Å; R144-E149 IonicContact NE-OE2 3.89Å; R144-E149 PolarHBondContact NE-OE2 2.88Å; R144-E149 IonicContact NH2-OE1 3.24Å; R144-E149 PolarHBondContact NH2-OE1 3Å; R144-E149 IonicContact NH2-OE2 3.64Å; R144-E149 PolarHBondContact NH2-OE2 3.22Å; R146-E149 WeakPolarHBondContact CD-OE1 3.08Å; R146-E149 IonicContact CZ-OE1 3.76Å; R146-E149 IonicContact NE-OE1 3.5Å; R146-E149 IonicContact NH1-OE1 2.65Å; R146-E149 PolarHBondContact NH1-OE1 3.14Å; R146-E149 WeakPolarHBondContact O-CB 3.42Å; R146-E149 PolarHBondContact O-N 3.4Å; R146-E149 VanDerWaalsContact O-N 3.13Å; E149-D151 VanDerWaalsContact C-N 3.28Å; E149-D151 PolarHBondContact O-N 3.06Å; E149-I152 HydrophobicContact CB-CD1 3.7Å; E149-I152 HydrophobicContact CB-CG1 4.45Å; E149-I152 HydrophobicContact CG-CD1 3.85Å; E149-I152 WeakPolarHBondContact O-CG1 3.5Å; E149-I152 PolarHBondContact O-N 2.98Å
150E87.2Confident93Very high75 Ų7557 Ų5735%0.3529%0.292SS..THydrogen-bonded Turntrans-60.6-34.9-172.7-64.292.2150.100112.7R142 S147 G148R142-E150 PolarHBondContact NH1-O 2.93Å; R142-E150 PolarHBondContact NH2-O 3.42Å; S147-E150 VanDerWaalsContact CA-OE1 3.27Å; S147-E150 WeakPolarHBondContact CA-OE1 3.34Å; G148-E150 WeakPolarHBondContact CA-OE2 3.36Å; G148-E150 PolarHBondContact N-OE2 3.34Å
151D87.8Confident93.1Very high152 Ų15255.2 Ų55.281%0.81329%0.287SS*.THydrogen-bonded Turntrans-100.79.8-174.8-63.4-43.4000113.3E149 P153E149-D151 VanDerWaalsContact C-N 3.28Å; E149-D151 PolarHBondContact O-N 3.06Å; D151-P153 WeakPolarHBondContact O-CD 3.41Å; D151-P153 VanDerWaalsContact O-N 3.13Å
152I92.4Very high93.3Very high4 Ų460.6 Ų60.62%0.02131%0.312CS..  trans-64.8115.8177.4-63.7176.3000108.9I6 Y47 F138 L141 R142 E149 Y156 L157I6-I152 HydrophobicContact CD1-CD1 4.43Å; Y47-I152 HydrophobicContact CD1-CD1 4.04Å; Y47-I152 HydrophobicContact CD1-CG1 3.79Å; Y47-I152 HydrophobicContact CE1-CD1 3.41Å; Y47-I152 VanDerWaalsContact CE1-CD1 3.41Å; Y47-I152 HydrophobicContact CE1-CG1 3.58Å; Y47-I152 HydrophobicContact CE2-CD1 4.21Å; F138-I152 WeakPolarHBondContact CE2-O 3.45Å; L141-I152 HydrophobicContact CD1-CB 4.2Å; L141-I152 HydrophobicContact CD1-CD1 4.07Å; L141-I152 HydrophobicContact CD1-CG2 4.14Å; R142-I152 PolarHBondContact NH2-O 3.25Å; E149-I152 HydrophobicContact CB-CD1 3.7Å; E149-I152 HydrophobicContact CB-CG1 4.45Å; E149-I152 HydrophobicContact CG-CD1 3.85Å; E149-I152 WeakPolarHBondContact O-CG1 3.5Å; E149-I152 PolarHBondContact O-N 2.98Å; I152-Y156 HydrophobicContact CG2-CD1 3.67Å; I152-Y156 HydrophobicContact CG2-CE1 4.47Å; I152-Y156 HydrophobicContact CG2-CG 4.29Å; I152-L157 HydrophobicContact CG2-CD2 4.14Å; I152-L157 HydrophobicContact CG2-CG 4.24Å
153P94.9Very high93.5Very high71 Ų7156.2 Ų56.246%0.46130%0.296SS..  trans-78.2155.6-179.432.2-33.7000110.8D151 K155 Y156D151-P153 WeakPolarHBondContact O-CD 3.41Å; D151-P153 VanDerWaalsContact O-N 3.13Å; P153-K155 PolarHBondContact O-N 3.45Å; P153-Y156 WeakPolarHBondContact O-CB 3.45Å; P153-Y156 PolarHBondContact O-N 3.45Å; P153-Y156 VanDerWaalsContact O-N 3.12Å
154L97.3Very high93.7Very high53 Ų5352 Ų5228%0.27726%0.261SS..Hα-helixtrans-54.4-40.8174.917661.3000111.7P134 T135 F138 Y156 L157 E158P134-L154 HydrophobicContact CB-CD1 3.91Å; T135-L154 HydrophobicContact CG2-CD1 4.42Å; T135-L154 HydrophobicContact CG2-CD2 4.42Å; F138-L154 HydrophobicContact CB-CD1 3.84Å; F138-L154 HydrophobicContact CD2-CB 4.18Å; F138-L154 HydrophobicContact CE2-CB 4.34Å; F138-L154 HydrophobicContact CG-CB 4.43Å; F138-L154 HydrophobicContact CG-CD1 4.17Å; L154-Y156 VanDerWaalsContact C-N 3.26Å; L154-Y156 PolarHBondContact O-N 3.13Å; L154-L157 CarbonylContact O-C 3.54Å; L154-L157 WeakPolarHBondContact O-CA 3.26Å; L154-L157 WeakPolarHBondContact O-CB 3.25Å; L154-L157 PolarHBondContact O-N 2.93Å; L154-E158 HydrophobicContact CD1-CG 4.48Å; L154-E158 HydrophobicContact CG-CG 4.31Å; L154-E158 PolarHBondContact O-N 3.48Å
155K97.6Very high94Very high107 Ų10748.6 Ų48.647%0.46525%0.249SC..Hα-helixtrans-55-39.8178.5-179.953.8178.3155.80113.2P153 L157 E158 D159P153-K155 PolarHBondContact O-N 3.45Å; K155-L157 VanDerWaalsContact C-N 3.27Å; K155-L157 PolarHBondContact O-N 3.13Å; K155-E158 WeakPolarHBondContact CA-OE2 3.36Å; K155-E158 HydrophobicContact CD-CB 4.47Å; K155-E158 WeakPolarHBondContact CD-OE2 3.24Å; K155-E158 WeakPolarHBondContact O-CB 3.13Å; K155-E158 PolarHBondContact O-N 2.92Å; K155-E158 VanDerWaalsContact O-N 3.13Å; K155-D159 WeakPolarHBondContact CE-OD1 3.37Å; K155-D159 IonicContact NZ-OD1 3.61Å; K155-D159 PolarHBondContact NZ-OD1 3.01Å; K155-D159 VanDerWaalsContact O-CG 3.26Å; K155-D159 PolarHBondContact O-N 2.63Å
156Y96.8Very high94.4Very high13 Ų1342.9 Ų42.95%0.05122%0.218CC..Hα-helixtrans-62.5-37.1176.3-178-95.4000112I6 Y47 N94 I152 P153 L154 L160I6-Y156 HydrophobicContact CD1-CE1 3.91Å; Y47-Y156 HydrophobicContact CE1-CE1 4.29Å; N94-Y156 WeakPolarHBondContact ND2-CE2 3.48Å; I152-Y156 HydrophobicContact CG2-CD1 3.67Å; I152-Y156 HydrophobicContact CG2-CE1 4.47Å; I152-Y156 HydrophobicContact CG2-CG 4.29Å; P153-Y156 WeakPolarHBondContact O-CB 3.45Å; P153-Y156 PolarHBondContact O-N 3.45Å; P153-Y156 VanDerWaalsContact O-N 3.12Å; L154-Y156 VanDerWaalsContact C-N 3.26Å; L154-Y156 PolarHBondContact O-N 3.13Å; Y156-L160 HydrophobicContact CD1-CD1 3.93Å; Y156-L160 HydrophobicContact CD1-CG 4.42Å; Y156-L160 HydrophobicContact CE1-CD1 3.37Å; Y156-L160 HydrophobicContact CE1-CG 4.09Å; Y156-L160 WeakPolarHBondContact O-CG 3.45Å; Y156-L160 PolarHBondContact O-N 3Å; Y156-L160 VanDerWaalsContact O-N 3.08Å
157L98Very high94.9Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-72.6-33.2175-58.7179000112N5 I6 P134 C137 F138 L141 I152 L154 K155 H161N5-L157 PolarHBondContact ND2-O 3.44Å; I6-L157 HydrophobicContact CB-CD2 3.87Å; I6-L157 HydrophobicContact CD1-CD2 4.4Å; I6-L157 HydrophobicContact CG1-CD2 4.48Å; P134-L157 HydrophobicContact CB-CB 4.27Å; C137-L157 HydrophobicContact CB-CD1 4.19Å; F138-L157 HydrophobicContact CB-CD1 3.73Å; F138-L157 HydrophobicContact CD2-CD1 3.91Å; F138-L157 HydrophobicContact CG-CD1 4.34Å; L141-L157 HydrophobicContact CD1-CD1 4.25Å; L141-L157 HydrophobicContact CD1-CD2 4.34Å; I152-L157 HydrophobicContact CG2-CD2 4.14Å; I152-L157 HydrophobicContact CG2-CG 4.24Å; L154-L157 CarbonylContact O-C 3.54Å; L154-L157 WeakPolarHBondContact O-CA 3.26Å; L154-L157 WeakPolarHBondContact O-CB 3.25Å; L154-L157 PolarHBondContact O-N 2.93Å; K155-L157 VanDerWaalsContact C-N 3.27Å; K155-L157 PolarHBondContact O-N 3.13Å; L157-H161 VanDerWaalsContact O-CB 3.29Å; L157-H161 WeakPolarHBondContact O-CB 3.29Å; L157-H161 PolarHBondContact O-N 3.22Å
158E98.6Very high95.5Very high69 Ų6937.4 Ų37.432%0.32219%0.189SC..Hα-helixtrans-62.4-49172.4-65.9170.1159.800110.8P134 L154 K155 L160 H161 E162P134-E158 HydrophobicContact CB-CB 4.41Å; P134-E158 HydrophobicContact CB-CG 3.62Å; P134-E158 HydrophobicContact CG-CB 4.32Å; P134-E158 HydrophobicContact CG-CG 3.86Å; L154-E158 HydrophobicContact CD1-CG 4.48Å; L154-E158 HydrophobicContact CG-CG 4.31Å; L154-E158 PolarHBondContact O-N 3.48Å; K155-E158 WeakPolarHBondContact CA-OE2 3.36Å; K155-E158 HydrophobicContact CD-CB 4.47Å; K155-E158 WeakPolarHBondContact CD-OE2 3.24Å; K155-E158 WeakPolarHBondContact O-CB 3.13Å; K155-E158 PolarHBondContact O-N 2.92Å; K155-E158 VanDerWaalsContact O-N 3.13Å; E158-L160 PolarHBondContact O-N 3.44Å; E158-H161 WeakPolarHBondContact O-CA 3.45Å; E158-H161 WeakPolarHBondContact O-CB 3.28Å; E158-H161 PolarHBondContact O-N 3.4Å; E158-E162 PolarHBondContact O-N 3.41Å
159D98.4Very high96.3Very high37 Ų3740.3 Ų40.320%0.19820%0.201CC..Hα-helixtrans-60.8-45178.9-62.7-28.2000111.6N94 K155 H161 E162 L163N94-D159 VanDerWaalsContact OD1-CB 3.23Å; N94-D159 WeakPolarHBondContact OD1-CB 3.29Å; K155-D159 WeakPolarHBondContact CE-OD1 3.37Å; K155-D159 IonicContact NZ-OD1 3.61Å; K155-D159 PolarHBondContact NZ-OD1 3.01Å; K155-D159 VanDerWaalsContact O-CG 3.26Å; K155-D159 PolarHBondContact O-N 2.63Å; D159-H161 VanDerWaalsContact C-N 3.3Å; D159-H161 PolarHBondContact O-N 3.38Å; D159-E162 PolarHBondContact O-N 3.37Å; D159-L163 WeakPolarHBondContact O-CG 3.38Å; D159-L163 PolarHBondContact O-N 2.84Å; D159-L163 VanDerWaalsContact O-N 3.13Å
160L98.5Very high96.8Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-63.9-35.9174.2-73.6-176.1000112.3N5 I6 F91 N94 Y156 E158 L163 H164N5-L160 WeakPolarHBondContact OD1-CB 3.47Å; I6-L160 HydrophobicContact CD1-CD1 3.97Å; I6-L160 HydrophobicContact CG1-CD1 4.25Å; F91-L160 HydrophobicContact CD1-CD1 4.49Å; F91-L160 HydrophobicContact CD1-CD2 4.1Å; F91-L160 HydrophobicContact CE1-CD1 3.84Å; F91-L160 HydrophobicContact CE1-CD2 4.16Å; F91-L160 HydrophobicContact CZ-CD1 4.48Å; N94-L160 HydrophobicContact CB-CD2 3.85Å; Y156-L160 HydrophobicContact CD1-CD1 3.93Å; Y156-L160 HydrophobicContact CD1-CG 4.42Å; Y156-L160 HydrophobicContact CE1-CD1 3.37Å; Y156-L160 HydrophobicContact CE1-CG 4.09Å; Y156-L160 WeakPolarHBondContact O-CG 3.45Å; Y156-L160 PolarHBondContact O-N 3Å; Y156-L160 VanDerWaalsContact O-N 3.08Å; E158-L160 PolarHBondContact O-N 3.44Å; L160-L163 PolarHBondContact O-N 2.84Å; L160-H164 PolarHBondContact O-N 3.01Å; L160-H164 PolarHBondContact O-ND1 2.65Å
161H98.7Very high97.3Very high35 Ų3548.4 Ų48.416%0.16223%0.233CC..Hα-helixtrans-63.6-48.8177.5-179.983.7000110.4A132 P134 L157 E158 D159 L163 H164 E165A132-H161 PolarHBondContact O-ND1 2.92Å; P134-H161 HydrophobicContact CG-CB 3.73Å; L157-H161 VanDerWaalsContact O-CB 3.29Å; L157-H161 WeakPolarHBondContact O-CB 3.29Å; L157-H161 PolarHBondContact O-N 3.22Å; E158-H161 WeakPolarHBondContact O-CA 3.45Å; E158-H161 WeakPolarHBondContact O-CB 3.28Å; E158-H161 PolarHBondContact O-N 3.4Å; D159-H161 VanDerWaalsContact C-N 3.3Å; D159-H161 PolarHBondContact O-N 3.38Å; H161-L163 PolarHBondContact O-N 3.47Å; H161-H164 PolarHBondContact O-N 2.85Å; H161-H164 VanDerWaalsContact O-N 3.07Å; H161-E165 IonicContact CE1-OE1 2.83Å; H161-E165 WeakPolarHBondContact O-CG 3.39Å; H161-E165 PolarHBondContact O-N 2.87Å
162E98.7Very high97.7Very high115 Ų11548.3 Ų48.354%0.53722%0.222SC..Hα-helixtrans-55.7-39.5176.3-69.8177.4-171.700112.1E158 D159 E165 A166E158-E162 PolarHBondContact O-N 3.41Å; D159-E162 PolarHBondContact O-N 3.37Å; E162-E165 PolarHBondContact O-N 2.86Å; E162-A166 VanDerWaalsContact O-CB 3.23Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 3.3Å
163L98.7Very high97.8Very high11 Ų1151 Ų516%0.05823%0.233CC..Hα-helixtrans-71-35177.4-69167.3000113.4C90 E93 N94 D159 L160 H161 W167C90-L163 HydrophobicContact CB-CB 4.25Å; C90-L163 VanDerWaalsContact O-CD1 3.27Å; C90-L163 WeakPolarHBondContact O-CD1 3.02Å; E93-L163 HydrophobicContact CB-CD1 4.09Å; E93-L163 HydrophobicContact CB-CD2 3.9Å; N94-L163 HydrophobicContact CB-CD1 3.58Å; D159-L163 WeakPolarHBondContact O-CG 3.38Å; D159-L163 PolarHBondContact O-N 2.84Å; D159-L163 VanDerWaalsContact O-N 3.13Å; L160-L163 PolarHBondContact O-N 2.84Å; H161-L163 PolarHBondContact O-N 3.47Å; L163-W167 WeakPolarHBondContact O-CB 3.27Å; L163-W167 PolarHBondContact O-N 2.7Å
164H98.7Very high97.7Very high0 Ų049.6 Ų49.60%023%0.232CC..Hα-helixtrans-66.7-40.9172-74.878.5000111.2G4 Y129 L160 H161 W167 L168G4-H164 PolarHBondContact O-NE2 3.5Å; Y129-H164 HydrophobicContact CE2-CB 4.05Å; L160-H164 PolarHBondContact O-N 3.01Å; L160-H164 PolarHBondContact O-ND1 2.65Å; H161-H164 PolarHBondContact O-N 2.85Å; H161-H164 VanDerWaalsContact O-N 3.07Å; H164-W167 PolarHBondContact O-N 2.78Å; H164-L168 VanDerWaalsContact O-CB 3.27Å; H164-L168 WeakPolarHBondContact O-CB 3.27Å; H164-L168 PolarHBondContact O-N 3.45Å
165E98.7Very high97.6Very high22 Ų2255.8 Ų55.810%0.10326%0.26CS..Hα-helixtrans-62.5-48.9175.5-67.9-67.4118.900111.1Y129 R131 H161 E162 W167 I169 E170Y129-E165 WeakPolarHBondContact CE1-OE1 3.42Å; Y129-E165 PolarHBondContact OH-OE1 2.87Å; R131-E165 WeakPolarHBondContact CD-OE1 3.36Å; R131-E165 IonicContact CZ-OE1 3.26Å; R131-E165 IonicContact CZ-OE2 2.91Å; R131-E165 VanDerWaalsContact CZ-OE2 3.26Å; R131-E165 VanDerWaalsContact NE-CD 3.35Å; R131-E165 IonicContact NE-OE1 3.44Å; R131-E165 PolarHBondContact NE-OE1 3.04Å; R131-E165 IonicContact NE-OE2 3.85Å; R131-E165 PolarHBondContact NE-OE2 2.97Å; R131-E165 IonicContact NH2-OE1 2.63Å; R131-E165 IonicContact NH2-OE2 3.61Å; R131-E165 PolarHBondContact NH2-OE2 2.88Å; H161-E165 IonicContact CE1-OE1 2.83Å; H161-E165 WeakPolarHBondContact O-CG 3.39Å; H161-E165 PolarHBondContact O-N 2.87Å; E162-E165 PolarHBondContact O-N 2.86Å; E165-W167 VanDerWaalsContact C-N 3.27Å; E165-W167 PolarHBondContact O-N 3.04Å; E165-I169 WeakPolarHBondContact O-CA 3.32Å; E165-I169 WeakPolarHBondContact O-CB 3.47Å; E165-I169 PolarHBondContact O-N 3.32Å; E165-E170 PolarHBondContact O-N 3.16Å
166A98.5Very high97.5Very high0 Ų051.4 Ų51.40%024%0.241CC..Hα-helixtrans-54.2-43.7175.700000112.1E162 R171 R172E162-A166 VanDerWaalsContact O-CB 3.23Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 3.3Å; A166-R171 PolarHBondContact O-N 3.17Å; A166-R171 VanDerWaalsContact O-N 3.11Å; A166-R172 HydrophobicContact CB-CB 4.29Å; A166-R172 WeakPolarHBondContact O-CB 3.45Å; A166-R172 PolarHBondContact O-N 3.28Å
167W98.3Very high97.3Very high4 Ų453.7 Ų53.72%0.01526%0.258CS..Hα-helixtrans-77.2-54.7-178.8174.133.4000113E3 H85 Y89 L163 H164 E165 R171 F173E3-W167 HydrophobicContact CG-CH2 3.98Å; E3-W167 HydrophobicContact CG-CZ3 4.1Å; H85-W167 HydrophobicContact CB-CH2 3.49Å; H85-W167 VanDerWaalsContact CB-CH2 3.49Å; H85-W167 HydrophobicContact CB-CZ2 3.22Å; Y89-W167 AromaticContact CD2-CD1 3.78Å; Y89-W167 HydrophobicContact CD2-CD2 4Å; Y89-W167 AromaticContact CD2-CE2 3.68Å; Y89-W167 HydrophobicContact CD2-CG 4.11Å; Y89-W167 HydrophobicContact CD2-CZ2 4.25Å; Y89-W167 AromaticContact CD2-NE1 3.49Å; Y89-W167 AromaticContact CE2-NE1 3.9Å; Y89-W167 HydrophobicContact CG-CD2 4.46Å; Y89-W167 HydrophobicContact CG-CG 4.28Å; L163-W167 WeakPolarHBondContact O-CB 3.27Å; L163-W167 PolarHBondContact O-N 2.7Å; H164-W167 PolarHBondContact O-N 2.78Å; E165-W167 VanDerWaalsContact C-N 3.27Å; E165-W167 PolarHBondContact O-N 3.04Å; W167-R171 WeakPolarHBondContact O-CA 3.36Å; W167-R171 PolarHBondContact O-N 2.75Å; W167-F173 HydrophobicContact CB-CD2 3.79Å; W167-F173 HydrophobicContact CB-CE2 4.01Å; W167-F173 HydrophobicContact CG-CD2 4.19Å
168L98.5Very high97.1Very high2 Ų254.3 Ų54.31%0.0126%0.262CS..Hα-helixtrans-89.1-31.1-164.6-65.2172.7000113.2E3 I127 Y129 H164 L176 I180E3-L168 HydrophobicContact CB-CD1 3.99Å; I127-L168 HydrophobicContact CG2-CD2 4.01Å; Y129-L168 HydrophobicContact CD1-CB 4.32Å; Y129-L168 HydrophobicContact CD1-CD1 4.11Å; Y129-L168 HydrophobicContact CD2-CD1 3.5Å; Y129-L168 HydrophobicContact CE2-CD1 3.97Å; Y129-L168 HydrophobicContact CG-CD1 3.6Å; H164-L168 VanDerWaalsContact O-CB 3.27Å; H164-L168 WeakPolarHBondContact O-CB 3.27Å; H164-L168 PolarHBondContact O-N 3.45Å; L168-L176 HydrophobicContact CD2-CD2 4.25Å; L168-I180 HydrophobicContact CB-CD1 3.74Å; L168-I180 HydrophobicContact CD2-CD1 4.24Å; L168-I180 HydrophobicContact CG-CD1 4.47Å
169I98.2Very high97.1Very high70 Ų7055.4 Ų55.436%0.35928%0.276SS..THydrogen-bonded Turntrans-100.8-55.9-177.1-54.5-56.2000110.2Y129 E165 R171 V182Y129-I169 HydrophobicContact CD1-CD1 4.07Å; Y129-I169 HydrophobicContact CE1-CD1 4.2Å; Y129-I169 HydrophobicContact CE1-CG1 4.22Å; E165-I169 WeakPolarHBondContact O-CA 3.32Å; E165-I169 WeakPolarHBondContact O-CB 3.47Å; E165-I169 PolarHBondContact O-N 3.32Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.4Å; I169-V182 HydrophobicContact CD1-CG2 4.08Å
170E98.1Very high97.1Very high114 Ų11455.9 Ų55.953%0.53328%0.278SS..SBendtrans-78.8-16.7-177.1-58.1175.2-167.400113.1E165 R172E165-E170 PolarHBondContact O-N 3.16Å; E170-R172 PolarHBondContact O-N 3.18Å; E170-R172 IonicContact OE1-NH2 3.53Å; E170-R172 IonicContact OE2-CZ 2.62Å; E170-R172 IonicContact OE2-NE 3.21Å; E170-R172 IonicContact OE2-NH2 3.31Å; E170-R172 PolarHBondContact OE2-NH2 2.92Å
171R96.9Very high97Very high137 Ų13757 Ų5752%0.51728%0.284SS..  trans56.636.1179.7-55.7-178.9-178.6-176.90.3113.1A166 W167 I169 F173 G174 L176A166-R171 PolarHBondContact O-N 3.17Å; A166-R171 VanDerWaalsContact O-N 3.11Å; W167-R171 WeakPolarHBondContact O-CA 3.36Å; W167-R171 PolarHBondContact O-N 2.75Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.4Å; R171-F173 PolarHBondContact O-N 2.96Å; R171-F173 VanDerWaalsContact O-N 3.11Å; R171-G174 PolarHBondContact O-N 3.42Å; R171-L176 HydrophobicContact CG-CG 4.43Å
172R97.3Very high97Very high151 Ų15158.1 Ų58.157%0.5729%0.293SS*.THydrogen-bonded Turntrans-57.7-27.7-177.4-167.5-179.9-62.1163.60.7113.2A166 E170A166-R172 HydrophobicContact CB-CB 4.29Å; A166-R172 WeakPolarHBondContact O-CB 3.45Å; A166-R172 PolarHBondContact O-N 3.28Å; E170-R172 PolarHBondContact O-N 3.18Å; E170-R172 IonicContact OE1-NH2 3.53Å; E170-R172 IonicContact OE2-CZ 2.62Å; E170-R172 IonicContact OE2-NE 3.21Å; E170-R172 IonicContact OE2-NH2 3.31Å; E170-R172 PolarHBondContact OE2-NH2 2.92Å
173F93.9Very high97Very high59 Ų5952.9 Ų52.926%0.25927%0.268SS..THydrogen-bonded Turntrans-97.514.9-179.6-54.8-75.1000113.9Y89 E93 W167 R171Y89-F173 HydrophobicContact CD1-CB 3.62Å; Y89-F173 AromaticContact CD1-CD1 3.61Å; Y89-F173 HydrophobicContact CD1-CD1 3.61Å; Y89-F173 AromaticContact CD1-CD2 3.76Å; Y89-F173 HydrophobicContact CD1-CD2 3.76Å; Y89-F173 HydrophobicContact CD1-CE1 4.17Å; Y89-F173 HydrophobicContact CD1-CE2 4.32Å; Y89-F173 AromaticContact CD1-CG 3.36Å; Y89-F173 HydrophobicContact CD1-CG 3.36Å; Y89-F173 HydrophobicContact CD1-CZ 4.5Å; Y89-F173 HydrophobicContact CE1-CB 3.58Å; Y89-F173 HydrophobicContact CE1-CD1 4.06Å; Y89-F173 AromaticContact CE1-CG 3.84Å; Y89-F173 HydrophobicContact CE1-CG 3.84Å; Y89-F173 HydrophobicContact CG-CB 4.21Å; Y89-F173 AromaticContact CG-CD2 3.88Å; Y89-F173 HydrophobicContact CG-CD2 3.88Å; Y89-F173 HydrophobicContact CG-CE2 4.39Å; Y89-F173 AromaticContact CG-CG 3.96Å; Y89-F173 HydrophobicContact CG-CG 3.96Å; E93-F173 HydrophobicContact CG-CE1 4.31Å; E93-F173 HydrophobicContact CG-CZ 4.05Å; W167-F173 HydrophobicContact CB-CD2 3.79Å; W167-F173 HydrophobicContact CB-CE2 4.01Å; W167-F173 HydrophobicContact CG-CD2 4.19Å; R171-F173 PolarHBondContact O-N 2.96Å; R171-F173 VanDerWaalsContact O-N 3.11Å
174G93.9Very high96.9Very high42 Ų4257.1 Ų57.143%0.43329%0.291SS..SBendtrans99.7-163.6179.400000113.6R171R171-G174 PolarHBondContact O-N 3.42Å
175Q93.7Very high96.9Very high184 Ų18457.1 Ų57.186%0.8629%0.291SS*.SBendtrans-67.1136-177-17017315.500111.1
176L95.4Very high96.8Very high14 Ų1459.2 Ų59.27%0.07330%0.303CS..  trans-66146173.4-61.2179.7000110.5I127 L168 R171 A178 I180I127-L176 HydrophobicContact CD1-CB 4.12Å; I127-L176 HydrophobicContact CD1-CD1 4.46Å; I127-L176 HydrophobicContact CD1-CD2 4.47Å; L168-L176 HydrophobicContact CD2-CD2 4.25Å; R171-L176 HydrophobicContact CG-CG 4.43Å; L176-A178 WeakPolarHBondContact CB-O 3.38Å; L176-A178 PolarHBondContact O-N 3.43Å; L176-A178 VanDerWaalsContact O-N 3.17Å; L176-I180 HydrophobicContact CD1-CB 4.04Å; L176-I180 HydrophobicContact CD1-CD1 4.34Å; L176-I180 HydrophobicContact CD1-CG2 4.1Å
177P92.7Very high96.7Very high62 Ų6260.6 Ų60.640%0.40331%0.314SS..SBendtrans-68.4-12.7179.228.4-36.1000113.6I127I127-P177 HydrophobicContact CD1-CG 4.03Å
178A95.7Very high96.5Very high12 Ų1264.1 Ų64.110%0.09934%0.338CS..SBendtrans-154.5167.317900000111.1V124 I127 L176V124-A178 HydrophobicContact CB-CB 4.09Å; V124-A178 HydrophobicContact CG1-CB 3.78Å; V124-A178 WeakPolarHBondContact O-CB 3.49Å; I127-A178 HydrophobicContact CG1-CB 4.2Å; L176-A178 WeakPolarHBondContact CB-O 3.38Å; L176-A178 PolarHBondContact O-N 3.43Å; L176-A178 VanDerWaalsContact O-N 3.17Å
179P97.1Very high96.3Very high93 Ų9368.1 Ų68.160%0.60436%0.359SS*.  trans-53.8154.4164.8-23.634.6000112.1L126 I127L126-P179 HydrophobicContact CD1-CB 4.42Å; I127-P179 PolarHBondContact N-O 3.39Å
180I98.1Very high96.2Very high47 Ų4769.5 Ų69.524%0.24137%0.372CS..EExtended strand (participates in β ladder)trans-117.3134.8-179.5-172.2173.5000111I127 L168 L176 V182I127-I180 HydrophobicContact CB-CG1 4.41Å; I127-I180 HydrophobicContact CG2-CG1 4.39Å; I127-I180 CarbonylContact O-C 3.55Å; I127-I180 VanDerWaalsContact O-CA 3.3Å; I127-I180 WeakPolarHBondContact O-CA 3.47Å; L168-I180 HydrophobicContact CB-CD1 3.74Å; L168-I180 HydrophobicContact CD2-CD1 4.24Å; L168-I180 HydrophobicContact CG-CD1 4.47Å; L176-I180 HydrophobicContact CD1-CB 4.04Å; L176-I180 HydrophobicContact CD1-CD1 4.34Å; L176-I180 HydrophobicContact CD1-CG2 4.1Å; I180-V182 HydrophobicContact CD1-CG2 3.96Å; I180-V182 HydrophobicContact CG1-CG2 3.97Å
181L98.2Very high96.2Very high23 Ų2369.9 Ų69.912%0.1237%0.374CS..EExtended strand (participates in β ladder)trans-114.7122.5167.9175.860.4000108.6L126 I127 V128 Y129 F183 H199 Q202 V203L126-L181 HydrophobicContact CD1-CB 4.12Å; I127-L181 PolarHBondContact O-N 3.11Å; V128-L181 CarbonylContact C-O 3.57Å; V128-L181 WeakPolarHBondContact CA-O 3.37Å; Y129-L181 PolarHBondContact N-O 3.43Å; L181-F183 HydrophobicContact CD2-CE2 3.67Å; L181-F183 HydrophobicContact CD2-CZ 3.73Å; L181-F183 HydrophobicContact CG-CD2 4.44Å; L181-F183 HydrophobicContact CG-CE2 3.8Å; L181-F183 HydrophobicContact CG-CZ 4.12Å; L181-H199 HydrophobicContact CD2-CB 4.44Å; L181-Q202 HydrophobicContact CD2-CB 4.08Å; L181-V203 HydrophobicContact CD2-CG2 3.82Å
182V98.3Very high96.2Very high59 Ų5963.7 Ų63.736%0.35835%0.351SS..EExtended strand (participates in β ladder)trans-107.5129.7-176-1740000109.9Y129 R131 I169 I180Y129-V182 HydrophobicContact CD1-CG1 3.95Å; Y129-V182 HydrophobicContact CD1-CG2 4.27Å; Y129-V182 WeakPolarHBondContact O-CA 3.48Å; R131-V182 HydrophobicContact CB-CG1 3.96Å; I169-V182 HydrophobicContact CD1-CG2 4.08Å; I180-V182 HydrophobicContact CD1-CG2 3.96Å; I180-V182 HydrophobicContact CG1-CG2 3.97Å
183F98.4Very high96.2Very high4 Ų459.1 Ų59.12%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-108.9127.9169.4-68-83000109.5F13 V128 Y129 L130 R131 L181 C185 L195 Y196 H199 V203F13-F183 HydrophobicContact CE2-CD2 4.27Å; F13-F183 AromaticContact CE2-CE2 3.89Å; F13-F183 HydrophobicContact CE2-CE2 3.89Å; F13-F183 HydrophobicContact CE2-CZ 4.36Å; F13-F183 HydrophobicContact CZ-CE2 4.33Å; V128-F183 HydrophobicContact CG1-CD2 3.67Å; V128-F183 HydrophobicContact CG1-CE2 3.67Å; Y129-F183 PolarHBondContact O-N 2.84Å; L130-F183 HydrophobicContact CD2-CB 4.01Å; L130-F183 HydrophobicContact CD2-CD2 3.81Å; L130-F183 HydrophobicContact CD2-CG 4.24Å; R131-F183 WeakPolarHBondContact CB-O 3.39Å; R131-F183 PolarHBondContact N-O 3.28Å; L181-F183 HydrophobicContact CD2-CE2 3.67Å; L181-F183 HydrophobicContact CD2-CZ 3.73Å; L181-F183 HydrophobicContact CG-CD2 4.44Å; L181-F183 HydrophobicContact CG-CE2 3.8Å; L181-F183 HydrophobicContact CG-CZ 4.12Å; F183-C185 PolarHBondContact O-N 3.5Å; F183-L195 HydrophobicContact CD1-CD2 3.72Å; F183-L195 HydrophobicContact CD1-CG 3.78Å; F183-L195 HydrophobicContact CE1-CD2 4.47Å; F183-L195 HydrophobicContact CE1-CG 4.02Å; F183-Y196 HydrophobicContact CB-CE1 4.23Å; F183-Y196 AromaticContact CD1-CD1 3.8Å; F183-Y196 HydrophobicContact CD1-CD1 3.8Å; F183-Y196 AromaticContact CD1-CE1 3.91Å; F183-Y196 HydrophobicContact CD1-CE1 3.91Å; F183-Y196 HydrophobicContact CD2-CE1 4.48Å; F183-Y196 AromaticContact CE1-CD1 3.83Å; F183-Y196 HydrophobicContact CE1-CD1 3.83Å; F183-Y196 HydrophobicContact CE1-CE1 4.39Å; F183-Y196 HydrophobicContact CG-CD1 4.2Å; F183-Y196 AromaticContact CG-CE1 3.95Å; F183-Y196 HydrophobicContact CG-CE1 3.95Å; F183-Y196 HydrophobicContact CZ-CD1 4.24Å; F183-H199 HydrophobicContact CE1-CB 3.82Å; F183-H199 AromaticContact CE1-CG 3.76Å; F183-H199 AromaticContact CE1-ND1 3.96Å; F183-H199 HydrophobicContact CZ-CB 3.64Å; F183-V203 HydrophobicContact CE2-CG2 4.14Å; F183-V203 HydrophobicContact CZ-CG2 4.05Å
184D97Very high96.3Very high101 Ų10160.1 Ų60.154%0.5435%0.352SS..EExtended strand (participates in β ladder)trans-73.9108.5163.8-172.7-22.3000108.4N186 L192D184-N186 WeakPolarHBondContact OD1-CB 3.37Å; D184-N186 PolarHBondContact OD1-N 3.09Å; D184-N186 PolarHBondContact OD1-ND2 3.09Å; D184-L192 WeakPolarHBondContact O-CD2 3.38Å
185C97.8Very high96.4Very high0 Ų060.9 Ų60.90%035%0.346CS..  trans-100.118.4-174.7-67.80000112.8R131 A132 R140 F183 L192 Y196R131-C185 PolarHBondContact O-N 2.99Å; A132-C185 HydrophobicContact CB-CB 4.02Å; R140-C185 VanDerWaalsContact CZ-O 3.23Å; R140-C185 PolarHBondContact NH1-O 3.42Å; R140-C185 PolarHBondContact NH2-O 3.42Å; F183-C185 PolarHBondContact O-N 3.5Å; C185-L192 HydrophobicContact CB-CD1 4.42Å; C185-Y196 PolarHBondContact SG-OH 2.75Å
186N97.7Very high96.6Very high66 Ų6652.3 Ų52.335%0.35331%0.305SS..  trans-74.9-25.6174.5-66.7-61.5000113S133 V136 D184S133-N186 WeakPolarHBondContact CB-OD1 3.38Å; S133-N186 PolarHBondContact N-OD1 3.16Å; S133-N186 PolarHBondContact OG-OD1 3.28Å; V136-N186 HydrophobicContact CG2-CB 4.46Å; V136-N186 WeakPolarHBondContact CG2-OD1 3.09Å; D184-N186 WeakPolarHBondContact OD1-CB 3.37Å; D184-N186 PolarHBondContact OD1-N 3.09Å; D184-N186 PolarHBondContact OD1-ND2 3.09Å
187A95.5Very high96.6Very high29 Ų2959.1 Ų59.124%0.2433%0.33CS..SBendtrans-65.9159.6-178.800000113.7R140 E191 L192R140-A187 PolarHBondContact NH2-O 3.47Å; A187-E191 HydrophobicContact CB-CB 4.17Å; A187-L192 HydrophobicContact CB-CD2 3.94Å; A187-L192 HydrophobicContact CB-CG 4.31Å; A187-L192 VanDerWaalsContact O-CD1 3.3Å; A187-L192 WeakPolarHBondContact O-CD1 3.23Å; A187-L192 WeakPolarHBondContact O-CG 3.4Å
188P94.4Very high96.7Very high77 Ų7760.2 Ų60.250%0.534%0.339SS..  trans-60154.4172.1-23.234.5000113.2E191 L192P188-E191 PolarHBondContact O-N 2.6Å; P188-E191 VanDerWaalsContact O-N 3.13Å; P188-L192 PolarHBondContact O-N 3.5Å; P188-L192 VanDerWaalsContact O-N 3.16Å
189L94.5Very high96.8Very high87 Ų8762.2 Ų62.246%0.45535%0.347SS..Hα-helixtrans-54-43.8-173.8-178.561.4000114.7T12 E191 L192 L193T12-L189 HydrophobicContact CG2-CD1 3.67Å; T12-L189 HydrophobicContact CG2-CD2 4.44Å; L189-E191 VanDerWaalsContact C-N 3.29Å; L189-E191 PolarHBondContact O-N 3.01Å; L189-L192 PolarHBondContact O-N 2.93Å; L189-L193 HydrophobicContact CD1-CD1 4.43Å; L189-L193 HydrophobicContact CD1-CD2 4.02Å; L189-L193 HydrophobicContact CD1-CG 3.93Å; L189-L193 HydrophobicContact CG-CD1 4.21Å; L189-L193 HydrophobicContact CG-CG 4.15Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.29Å
190P96.2Very high96.7Very high99 Ų9961.6 Ų61.664%0.64333%0.334SS*.Hα-helixtrans-58.1-39.2179.3-26.236.2000113.8L193 S194P190-L193 PolarHBondContact O-N 2.84Å; P190-S194 PolarHBondContact O-N 3.09Å; P190-S194 VanDerWaalsContact O-N 3.17Å
191E96.7Very high96.5Very high121 Ų12165.7 Ų65.757%0.56535%0.353SS*.Hα-helixtrans-69-42.9176.9-67.8175-142.100111A187 P188 L189 L193 S194 L195A187-E191 HydrophobicContact CB-CB 4.17Å; P188-E191 PolarHBondContact O-N 2.6Å; P188-E191 VanDerWaalsContact O-N 3.13Å; L189-E191 VanDerWaalsContact C-N 3.29Å; L189-E191 PolarHBondContact O-N 3.01Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 3.42Å; E191-S194 WeakPolarHBondContact O-CB 3.42Å; E191-S194 PolarHBondContact O-N 2.98Å; E191-L195 PolarHBondContact O-N 3.4Å
192L97.1Very high96.5Very high7 Ų769.8 Ų69.84%0.03737%0.371CS..Hα-helixtrans-60.3-41.2174.9-62.9-178.2000112.2D184 C185 A187 P188 L189 S194 L195 Y196D184-L192 WeakPolarHBondContact O-CD2 3.38Å; C185-L192 HydrophobicContact CB-CD1 4.42Å; A187-L192 HydrophobicContact CB-CD2 3.94Å; A187-L192 HydrophobicContact CB-CG 4.31Å; A187-L192 VanDerWaalsContact O-CD1 3.3Å; A187-L192 WeakPolarHBondContact O-CD1 3.23Å; A187-L192 WeakPolarHBondContact O-CG 3.4Å; P188-L192 PolarHBondContact O-N 3.5Å; P188-L192 VanDerWaalsContact O-N 3.16Å; L189-L192 PolarHBondContact O-N 2.93Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 3.36Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.41Å; L192-Y196 HydrophobicContact CB-CE1 4.42Å; L192-Y196 HydrophobicContact CB-CE2 4.03Å; L192-Y196 VanDerWaalsContact O-CD1 3.32Å; L192-Y196 WeakPolarHBondContact O-CD1 3.18Å; L192-Y196 VanDerWaalsContact O-CD2 3.31Å; L192-Y196 WeakPolarHBondContact O-CD2 3.34Å; L192-Y196 PolarHBondContact O-N 3.07Å
193L97Very high96.4Very high56 Ų5667.4 Ų67.429%0.29336%0.356SS..Hα-helixtrans-64.9-35.9176.9-66.8-177.8000112.2Y16 L189 P190 E191 Y196 R197Y16-L193 HydrophobicContact CD2-CD2 3.68Å; Y16-L193 HydrophobicContact CE2-CD2 4.27Å; Y16-L193 HydrophobicContact CG-CD2 3.96Å; L189-L193 HydrophobicContact CD1-CD1 4.43Å; L189-L193 HydrophobicContact CD1-CD2 4.02Å; L189-L193 HydrophobicContact CD1-CG 3.93Å; L189-L193 HydrophobicContact CG-CD1 4.21Å; L189-L193 HydrophobicContact CG-CG 4.15Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.29Å; P190-L193 PolarHBondContact O-N 2.84Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 3.42Å; L193-Y196 HydrophobicContact CD2-CD2 4.14Å; L193-R197 WeakPolarHBondContact O-CB 3.3Å; L193-R197 PolarHBondContact O-N 2.93Å
194S96.6Very high96.3Very high79 Ų7967.2 Ų67.255%0.55236%0.356SS*.Hα-helixtrans-64.4-44.6172.7-170.10000111.1P190 E191 L192 R197 S198P190-S194 PolarHBondContact O-N 3.09Å; P190-S194 VanDerWaalsContact O-N 3.17Å; E191-S194 WeakPolarHBondContact O-CB 3.42Å; E191-S194 PolarHBondContact O-N 2.98Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 3.36Å; S194-R197 WeakPolarHBondContact O-CB 3.05Å; S194-R197 PolarHBondContact O-N 3.43Å; S194-S198 PolarHBondContact O-N 3.14Å
195L96.5Very high96.1Very high59 Ų5966 Ų6631%0.30935%0.354SS..Hα-helixtrans-63.7-42.7177.4-175.164.1000112.4F183 E191 L192 R197 S198 H199F183-L195 HydrophobicContact CD1-CD2 3.72Å; F183-L195 HydrophobicContact CD1-CG 3.78Å; F183-L195 HydrophobicContact CE1-CD2 4.47Å; F183-L195 HydrophobicContact CE1-CG 4.02Å; E191-L195 PolarHBondContact O-N 3.4Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.41Å; L195-R197 VanDerWaalsContact C-N 3.31Å; L195-R197 PolarHBondContact O-N 3.19Å; L195-S198 PolarHBondContact O-N 3.27Å; L195-S198 PolarHBondContact O-OG 3.4Å; L195-H199 PolarHBondContact O-N 3.48Å; L195-H199 PolarHBondContact O-ND1 3.35Å
196Y97.2Very high95.8Very high3 Ų368.8 Ų68.81%0.01238%0.383CS..Hα-helixtrans-63.5-39.4175.6-58.9-21.6000111.5F13 Y16 L130 F183 C185 L192 L193 H199 K200F13-Y196 HydrophobicContact CB-CE2 4.26Å; F13-Y196 AromaticContact CD2-CD1 3.73Å; F13-Y196 HydrophobicContact CD2-CD1 3.73Å; F13-Y196 AromaticContact CD2-CD2 3.85Å; F13-Y196 HydrophobicContact CD2-CD2 3.85Å; F13-Y196 AromaticContact CD2-CE1 3.67Å; F13-Y196 HydrophobicContact CD2-CE1 3.67Å; F13-Y196 AromaticContact CD2-CE2 3.79Å; F13-Y196 HydrophobicContact CD2-CE2 3.79Å; F13-Y196 AromaticContact CD2-CG 3.84Å; F13-Y196 HydrophobicContact CD2-CG 3.84Å; F13-Y196 AromaticContact CD2-CZ 3.71Å; F13-Y196 AromaticContact CE2-CD1 3.8Å; F13-Y196 HydrophobicContact CE2-CD1 3.8Å; F13-Y196 HydrophobicContact CE2-CD2 4.49Å; F13-Y196 HydrophobicContact CE2-CE1 4.08Å; F13-Y196 HydrophobicContact CE2-CG 4.05Å; Y16-Y196 HydrophobicContact CD1-CD2 4.3Å; L130-Y196 HydrophobicContact CD2-CE1 4.47Å; F183-Y196 HydrophobicContact CB-CE1 4.23Å; F183-Y196 AromaticContact CD1-CD1 3.8Å; F183-Y196 HydrophobicContact CD1-CD1 3.8Å; F183-Y196 AromaticContact CD1-CE1 3.91Å; F183-Y196 HydrophobicContact CD1-CE1 3.91Å; F183-Y196 HydrophobicContact CD2-CE1 4.48Å; F183-Y196 AromaticContact CE1-CD1 3.83Å; F183-Y196 HydrophobicContact CE1-CD1 3.83Å; F183-Y196 HydrophobicContact CE1-CE1 4.39Å; F183-Y196 HydrophobicContact CG-CD1 4.2Å; F183-Y196 AromaticContact CG-CE1 3.95Å; F183-Y196 HydrophobicContact CG-CE1 3.95Å; F183-Y196 HydrophobicContact CZ-CD1 4.24Å; C185-Y196 PolarHBondContact SG-OH 2.75Å; L192-Y196 HydrophobicContact CB-CE1 4.42Å; L192-Y196 HydrophobicContact CB-CE2 4.03Å; L192-Y196 VanDerWaalsContact O-CD1 3.32Å; L192-Y196 WeakPolarHBondContact O-CD1 3.18Å; L192-Y196 VanDerWaalsContact O-CD2 3.31Å; L192-Y196 WeakPolarHBondContact O-CD2 3.34Å; L192-Y196 PolarHBondContact O-N 3.07Å; L193-Y196 HydrophobicContact CD2-CD2 4.14Å; Y196-H199 CarbonylContact O-C 3.53Å; Y196-H199 PolarHBondContact O-N 2.97Å; Y196-K200 PolarHBondContact O-N 2.94Å
197R95.7Very high95.5Very high157 Ų15767.6 Ų67.659%0.59238%0.378SS*.Hα-helixtrans-61.8-43.7176.5-171.9-177.7-69.4-117.3-0.9112Y16 L193 S194 L195 H199 K200Y16-R197 VanDerWaalsContact OH-CB 3.29Å; Y16-R197 WeakPolarHBondContact OH-CB 3.49Å; L193-R197 WeakPolarHBondContact O-CB 3.3Å; L193-R197 PolarHBondContact O-N 2.93Å; S194-R197 WeakPolarHBondContact O-CB 3.05Å; S194-R197 PolarHBondContact O-N 3.43Å; L195-R197 VanDerWaalsContact C-N 3.31Å; L195-R197 PolarHBondContact O-N 3.19Å; R197-H199 PolarHBondContact O-N 3.12Å; R197-K200 WeakPolarHBondContact O-CB 3.45Å; R197-K200 WeakPolarHBondContact O-CG 3.46Å; R197-K200 PolarHBondContact O-N 2.83Å
198S95.8Very high95.1Very high85 Ų8573.7 Ų73.759%0.59440%0.402SS*.Hα-helixtrans-68-23.3-179.364.70000113S194 L195S194-S198 PolarHBondContact O-N 3.14Å; L195-S198 PolarHBondContact O-N 3.27Å; L195-S198 PolarHBondContact O-OG 3.4Å
199H96.3Very high94.3Very high55 Ų5572.9 Ų72.926%0.25540%0.401SS..THydrogen-bonded Turntrans-102.312.8178.2-6572.1000113.3L181 F183 L195 Y196 R197 E201 Q202 V203L181-H199 HydrophobicContact CD2-CB 4.44Å; F183-H199 HydrophobicContact CE1-CB 3.82Å; F183-H199 AromaticContact CE1-CG 3.76Å; F183-H199 AromaticContact CE1-ND1 3.96Å; F183-H199 HydrophobicContact CZ-CB 3.64Å; L195-H199 PolarHBondContact O-N 3.48Å; L195-H199 PolarHBondContact O-ND1 3.35Å; Y196-H199 CarbonylContact O-C 3.53Å; Y196-H199 PolarHBondContact O-N 2.97Å; R197-H199 PolarHBondContact O-N 3.12Å; H199-E201 VanDerWaalsContact C-N 3.29Å; H199-E201 PolarHBondContact O-N 3.43Å; H199-Q202 PolarHBondContact CD2-OE1 3.11Å; H199-Q202 PolarHBondContact O-N 3.16Å; H199-Q202 VanDerWaalsContact O-N 3.15Å; H199-V203 PolarHBondContact O-N 2.97Å
200K95.6Very high94.3Very high79 Ų7972.2 Ų72.234%0.34340%0.399SS..Hα-helixtrans-55.7-40.9-17370.7-175.6-177.9172.20113.4F17 L20 Y196 R197 V203 M204F17-K200 HydrophobicContact CE1-CB 4.24Å; L20-K200 HydrophobicContact CD2-CB 3.93Å; Y196-K200 PolarHBondContact O-N 2.94Å; R197-K200 WeakPolarHBondContact O-CB 3.45Å; R197-K200 WeakPolarHBondContact O-CG 3.46Å; R197-K200 PolarHBondContact O-N 2.83Å; K200-V203 PolarHBondContact O-N 3.31Å; K200-M204 VanDerWaalsContact O-CB 3.32Å; K200-M204 WeakPolarHBondContact O-CB 3.29Å; K200-M204 VanDerWaalsContact O-CG 3.31Å; K200-M204 WeakPolarHBondContact O-CG 3.45Å; K200-M204 PolarHBondContact O-N 3.28Å
201E95.1Very high94.2Very high134 Ų13470.7 Ų70.763%0.62639%0.386SS*.Hα-helixtrans-67.9-38.3-177.3-70.2175.1-169.600111.4H199 M204 C205 G206H199-E201 VanDerWaalsContact C-N 3.29Å; H199-E201 PolarHBondContact O-N 3.43Å; E201-M204 CarbonylContact O-C 3.56Å; E201-C205 PolarHBondContact O-N 2.65Å; E201-C205 VanDerWaalsContact O-N 3.13Å; E201-G206 PolarHBondContact O-N 3.22Å
202Q96.2Very high94.1Very high109 Ų10967.9 Ų67.951%0.50938%0.376SS..Hα-helixtrans-67.1-47.3175.4-67178.3-2100110.9L126 L181 H199 M204 C205L126-Q202 WeakPolarHBondContact CD2-O 3.14Å; L181-Q202 HydrophobicContact CD2-CB 4.08Å; H199-Q202 PolarHBondContact CD2-OE1 3.11Å; H199-Q202 PolarHBondContact O-N 3.16Å; H199-Q202 VanDerWaalsContact O-N 3.15Å; Q202-M204 VanDerWaalsContact C-N 3.25Å; Q202-M204 PolarHBondContact O-N 3.32Å; Q202-C205 PolarHBondContact O-N 3.34Å
203V97.1Very high93.9Very high8 Ų871.5 Ų71.55%0.04840%0.396CS..Hα-helixtrans-62.4-35.2178.81750000111.7F13 F17 L79 V128 L181 F183 H199 K200 C205F13-V203 HydrophobicContact CE1-CG1 4.2Å; F13-V203 HydrophobicContact CZ-CG1 3.78Å; F13-V203 HydrophobicContact CZ-CG2 3.95Å; F17-V203 HydrophobicContact CD1-CB 4.43Å; F17-V203 HydrophobicContact CD1-CG1 3.83Å; F17-V203 HydrophobicContact CD2-CG1 4.14Å; F17-V203 HydrophobicContact CE1-CB 3.61Å; F17-V203 HydrophobicContact CE1-CG1 3.48Å; F17-V203 VanDerWaalsContact CE1-CG1 3.48Å; F17-V203 HydrophobicContact CE1-CG2 4.3Å; F17-V203 HydrophobicContact CE2-CB 4.29Å; F17-V203 HydrophobicContact CE2-CG1 3.84Å; F17-V203 HydrophobicContact CE2-CG2 4.25Å; F17-V203 HydrophobicContact CG-CG1 4.15Å; F17-V203 HydrophobicContact CZ-CB 3.55Å; F17-V203 HydrophobicContact CZ-CG1 3.5Å; F17-V203 VanDerWaalsContact CZ-CG1 3.5Å; F17-V203 HydrophobicContact CZ-CG2 3.7Å; L79-V203 HydrophobicContact CD2-CG1 3.94Å; V128-V203 HydrophobicContact CG2-CG2 4.41Å; L181-V203 HydrophobicContact CD2-CG2 3.82Å; F183-V203 HydrophobicContact CE2-CG2 4.14Å; F183-V203 HydrophobicContact CZ-CG2 4.05Å; H199-V203 PolarHBondContact O-N 2.97Å; K200-V203 PolarHBondContact O-N 3.31Å; V203-C205 VanDerWaalsContact C-N 3.28Å
204M95.9Very high93.7Very high1 Ų172.5 Ų72.51%0.00540%0.402CS..THydrogen-bonded Turntrans-88.210.9177.3-64.4-173.160.500113.3F17 N24 V77 K200 E201 Q202 G206 V207 A209F17-M204 HydrophobicContact CD1-CG 4.19Å; F17-M204 HydrophobicContact CD1-SD 4.49Å; F17-M204 HydrophobicContact CE1-CG 4.23Å; N24-M204 WeakPolarHBondContact OD1-CE 3.47Å; V77-M204 HydrophobicContact CG2-CB 4.26Å; V77-M204 HydrophobicContact CG2-CE 4.23Å; K200-M204 VanDerWaalsContact O-CB 3.32Å; K200-M204 WeakPolarHBondContact O-CB 3.29Å; K200-M204 VanDerWaalsContact O-CG 3.31Å; K200-M204 WeakPolarHBondContact O-CG 3.45Å; K200-M204 PolarHBondContact O-N 3.28Å; E201-M204 CarbonylContact O-C 3.56Å; Q202-M204 VanDerWaalsContact C-N 3.25Å; Q202-M204 PolarHBondContact O-N 3.32Å; M204-G206 PolarHBondContact O-N 3.02Å; M204-V207 HydrophobicContact CB-CB 4.44Å; M204-V207 WeakPolarHBondContact CB-O 3.46Å; M204-V207 HydrophobicContact CE-CB 4.49Å; M204-V207 HydrophobicContact CE-CG1 4.39Å; M204-V207 WeakPolarHBondContact CE-O 3.22Å; M204-V207 VanDerWaalsContact O-CB 3.32Å; M204-V207 WeakPolarHBondContact O-CB 3.32Å; M204-V207 WeakPolarHBondContact O-CG2 3.43Å; M204-V207 PolarHBondContact O-N 2.69Å; M204-A209 HydrophobicContact CE-CB 4.33Å; M204-A209 HydrophobicContact SD-CB 4.01Å
205C93.9Very high93.5Very high74 Ų7472.1 Ų72.150%0.539%0.392SS..THydrogen-bonded Turntrans50.639.7178.5-60.30000113.5E201 Q202 V203 V207E201-C205 PolarHBondContact O-N 2.65Å; E201-C205 VanDerWaalsContact O-N 3.13Å; Q202-C205 PolarHBondContact O-N 3.34Å; V203-C205 VanDerWaalsContact C-N 3.28Å; C205-V207 VanDerWaalsContact C-N 3.31Å; C205-V207 PolarHBondContact O-N 3.13Å
206G92.1Very high93.3Very high60 Ų6073 Ų7362%0.61940%0.398SS*.THydrogen-bonded Turntrans82-1.4-179.400000115.3E201 M204 E208E201-G206 PolarHBondContact O-N 3.22Å; M204-G206 PolarHBondContact O-N 3.02Å; G206-E208 PolarHBondContact O-N 3.29Å
207V91.1Very high93Very high40 Ų4078.4 Ų78.424%0.24243%0.428CS..  trans-73.4121.1173.1-178.80000109.2K23 P76 V77 M204 C205 A209K23-V207 HydrophobicContact CD-CG1 3.77Å; P76-V207 HydrophobicContact CB-CG1 4.36Å; P76-V207 HydrophobicContact CB-CG2 4.48Å; V77-V207 HydrophobicContact CG2-CB 3.61Å; V77-V207 HydrophobicContact CG2-CG1 3.97Å; V77-V207 HydrophobicContact CG2-CG2 3.65Å; M204-V207 HydrophobicContact CB-CB 4.44Å; M204-V207 WeakPolarHBondContact CB-O 3.46Å; M204-V207 HydrophobicContact CE-CB 4.49Å; M204-V207 HydrophobicContact CE-CG1 4.39Å; M204-V207 WeakPolarHBondContact CE-O 3.22Å; M204-V207 VanDerWaalsContact O-CB 3.32Å; M204-V207 WeakPolarHBondContact O-CB 3.32Å; M204-V207 WeakPolarHBondContact O-CG2 3.43Å; M204-V207 PolarHBondContact O-N 2.69Å; C205-V207 VanDerWaalsContact C-N 3.31Å; C205-V207 PolarHBondContact O-N 3.13Å; V207-A209 PolarHBondContact O-N 3.03Å
208E85.8Confident92.8Very high157 Ų15771.8 Ų71.873%0.73441%0.414SS*.  trans-61.8132.3175-65.4-178.1167.800110.9K23 G206K23-E208 WeakPolarHBondContact CD-O 3.48Å; K23-E208 WeakPolarHBondContact CE-O 3.3Å; K23-E208 PolarHBondContact NZ-O 2.81Å; G206-E208 PolarHBondContact O-N 3.29Å
209A78.3Confident92.5Very high60 Ų6070.6 Ų70.650%0.49640%0.398SS..  trans-57.80179.400000113.1L20 S21 M204 V207L20-A209 HydrophobicContact CG-CB 4.39Å; S21-A209 WeakPolarHBondContact CB-OXT 3.47Å; S21-A209 PolarHBondContact OG-OXT 2.89Å; M204-A209 HydrophobicContact CE-CB 4.33Å; M204-A209 HydrophobicContact SD-CB 4.01Å; V207-A209 PolarHBondContact O-N 3.03Å

Retrieved 209 of 209 residues in 69.6 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).