A0A077ZIS2_TRITR Loading...

DUF1342 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M94.9Very high97.7Very high41 Ų4162.5 Ų62.520%0.20228%0.276CS..  0-61.90-161.952.462.500116.2T3 W4 L5 L158 I161 D185 L186M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.39Å; M1-W4 HydrophobicContact CE-CE3 4.06Å; M1-W4 HydrophobicContact CE-CZ3 4.28Å; M1-W4 WeakPolarHBondContact O-CA 3.41Å; M1-W4 WeakPolarHBondContact O-CB 3.43Å; M1-W4 PolarHBondContact O-N 3.22Å; M1-W4 HydrophobicContact SD-CE3 4.3Å; M1-L5 HydrophobicContact CG-CD1 4.03Å; M1-L5 HydrophobicContact CG-CG 4.2Å; M1-L5 PolarHBondContact O-N 3.12Å; M1-L5 HydrophobicContact SD-CD1 4.42Å; M1-L5 HydrophobicContact SD-CD2 4.25Å; M1-L5 HydrophobicContact SD-CG 4.03Å; M1-L158 HydrophobicContact CE-CD2 4.11Å; M1-L158 HydrophobicContact SD-CD2 3.65Å; M1-I161 HydrophobicContact CE-CD1 3.66Å; M1-I161 HydrophobicContact CE-CG2 3.9Å; M1-D185 HydrophobicContact CB-CB 4.43Å; M1-D185 WeakPolarHBondContact CB-O 3.49Å; M1-D185 HydrophobicContact CE-CB 3.69Å; M1-D185 WeakPolarHBondContact CG-O 3.37Å; M1-L186 HydrophobicContact CE-CB 4.02Å; M1-L186 HydrophobicContact CG-CB 4.18Å; M1-L186 HydrophobicContact CG-CD1 4.25Å; M1-L186 HydrophobicContact SD-CB 4.27Å; M1-L186 HydrophobicContact SD-CD1 4.49Å
2R95.7Very high97.7Very high188 Ų18865.8 Ų65.871%0.70929%0.293SS*.Hα-helixtrans-50.9-46.5-173.5-176.6-177.2-66.7-164.2-1.1114.2W4 R6R2-W4 VanDerWaalsContact C-N 3.34Å; R2-R6 WeakPolarHBondContact O-CG 3.44Å; R2-R6 PolarHBondContact O-N 3.07Å
3T97Very high97.8Very high69 Ų6963.9 Ų63.942%0.42329%0.285SS..Hα-helixtrans-61.6-41.9177.5-55.70000111.8M1 R6 I7 V39 V45M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.39Å; T3-R6 PolarHBondContact O-N 3.3Å; T3-I7 HydrophobicContact CG2-CD1 3.8Å; T3-I7 HydrophobicContact CG2-CG1 4.41Å; T3-I7 VanDerWaalsContact O-CG1 3.31Å; T3-I7 WeakPolarHBondContact O-CG1 3.47Å; T3-I7 PolarHBondContact O-N 3.46Å; T3-V39 HydrophobicContact CG2-CG1 3.71Å; T3-V45 HydrophobicContact CG2-CG2 4.49Å
4W97.8Very high97.8Very high22 Ų2259.6 Ų59.68%0.08327%0.266CS..Hα-helixtrans-64.9-43.4179.7-65.5-19.5000112.8M1 R2 R6 I7 E8 E52 L154 V157 L158 I161M1-W4 HydrophobicContact CE-CE3 4.06Å; M1-W4 HydrophobicContact CE-CZ3 4.28Å; M1-W4 WeakPolarHBondContact O-CA 3.41Å; M1-W4 WeakPolarHBondContact O-CB 3.43Å; M1-W4 PolarHBondContact O-N 3.22Å; M1-W4 HydrophobicContact SD-CE3 4.3Å; R2-W4 VanDerWaalsContact C-N 3.34Å; W4-R6 VanDerWaalsContact C-N 3.28Å; W4-R6 PolarHBondContact O-N 3.22Å; W4-I7 PolarHBondContact O-N 3.48Å; W4-E8 VanDerWaalsContact O-CB 3.31Å; W4-E8 WeakPolarHBondContact O-CB 3.46Å; W4-E8 PolarHBondContact O-N 2.62Å; W4-E52 HydrophobicContact CH2-CB 3.55Å; W4-E52 HydrophobicContact CH2-CG 3.49Å; W4-E52 VanDerWaalsContact CH2-CG 3.49Å; W4-E52 HydrophobicContact CZ2-CB 4.05Å; W4-E52 HydrophobicContact CZ2-CG 4.41Å; W4-E52 HydrophobicContact CZ3-CB 4.37Å; W4-E52 HydrophobicContact CZ3-CG 3.83Å; W4-L154 HydrophobicContact CB-CD1 3.66Å; W4-L154 HydrophobicContact CG-CD1 3.8Å; W4-V157 HydrophobicContact CE3-CG1 4.47Å; W4-V157 HydrophobicContact CZ3-CG1 4.23Å; W4-L158 HydrophobicContact CB-CD1 4.45Å; W4-L158 HydrophobicContact CB-CD2 4.11Å; W4-L158 HydrophobicContact CE3-CD2 4.27Å; W4-I161 HydrophobicContact CZ3-CD1 4.19Å
5L98.1Very high97.8Very high60 Ų6060.9 Ų60.931%0.31428%0.281SS..Hα-helixtrans-62.3-36.8175.3-65.5175.3000112.1M1 F9 L186M1-L5 HydrophobicContact CG-CD1 4.03Å; M1-L5 HydrophobicContact CG-CG 4.2Å; M1-L5 PolarHBondContact O-N 3.12Å; M1-L5 HydrophobicContact SD-CD1 4.42Å; M1-L5 HydrophobicContact SD-CD2 4.25Å; M1-L5 HydrophobicContact SD-CG 4.03Å; L5-F9 WeakPolarHBondContact O-CB 3.44Å; L5-F9 PolarHBondContact O-N 3.37Å; L5-L186 HydrophobicContact CD1-CD1 4.05Å
6R98Very high97.8Very high136 Ų13662.4 Ų62.451%0.51330%0.295SS..Hα-helixtrans-67.2-46.7175.3-72.5176.4174-177.6-6111.9R2 T3 W4 F9 L10R2-R6 WeakPolarHBondContact O-CG 3.44Å; R2-R6 PolarHBondContact O-N 3.07Å; T3-R6 PolarHBondContact O-N 3.3Å; W4-R6 VanDerWaalsContact C-N 3.28Å; W4-R6 PolarHBondContact O-N 3.22Å; R6-F9 PolarHBondContact O-N 3.03Å; R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.29Å; R6-L10 PolarHBondContact O-N 2.98Å
7I98.4Very high97.8Very high0 Ų063.6 Ų63.60%030%0.304CS..Hα-helixtrans-62.7-45.5178.4-67.6169.5000110.3T3 W4 F9 L10 I11 L36 V39 F40 V45 L150 L154T3-I7 HydrophobicContact CG2-CD1 3.8Å; T3-I7 HydrophobicContact CG2-CG1 4.41Å; T3-I7 VanDerWaalsContact O-CG1 3.31Å; T3-I7 WeakPolarHBondContact O-CG1 3.47Å; T3-I7 PolarHBondContact O-N 3.46Å; W4-I7 PolarHBondContact O-N 3.48Å; I7-F9 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 3.18Å; I7-I11 HydrophobicContact CG2-CD1 3.58Å; I7-I11 HydrophobicContact CG2-CG1 4.2Å; I7-I11 WeakPolarHBondContact O-CB 3.42Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.27Å; I7-L36 HydrophobicContact CB-CD2 4.32Å; I7-L36 HydrophobicContact CG1-CD2 4.39Å; I7-L36 HydrophobicContact CG2-CD2 3.93Å; I7-V39 HydrophobicContact CD1-CG1 3.89Å; I7-V39 HydrophobicContact CG1-CG1 3.76Å; I7-F40 HydrophobicContact CD1-CD1 4.45Å; I7-F40 HydrophobicContact CD1-CE1 4.03Å; I7-F40 HydrophobicContact CG1-CE1 4.26Å; I7-F40 HydrophobicContact CG2-CE1 4.32Å; I7-V45 HydrophobicContact CD1-CB 4.48Å; I7-V45 HydrophobicContact CD1-CG1 3.77Å; I7-V45 HydrophobicContact CD1-CG2 3.82Å; I7-L150 HydrophobicContact CG2-CD2 3.93Å; I7-L154 HydrophobicContact CB-CD2 3.95Å; I7-L154 HydrophobicContact CG2-CD2 3.49Å; I7-L154 VanDerWaalsContact CG2-CD2 3.49Å
8E98.6Very high97.8Very high24 Ų2463.9 Ų63.911%0.11231%0.307CS..Hα-helixtrans-56.8-50.7177.2178.2-172.2-127.800111.2W4 L10 I11 Q12 L154 L158 R162W4-E8 VanDerWaalsContact O-CB 3.31Å; W4-E8 WeakPolarHBondContact O-CB 3.46Å; W4-E8 PolarHBondContact O-N 2.62Å; E8-L10 PolarHBondContact O-N 3.37Å; E8-I11 PolarHBondContact O-N 3.1Å; E8-Q12 VanDerWaalsContact O-CG 3.3Å; E8-Q12 WeakPolarHBondContact O-CG 3.39Å; E8-Q12 PolarHBondContact O-N 3.35Å; E8-L154 HydrophobicContact CB-CD2 4.11Å; E8-L158 HydrophobicContact CB-CD1 3.82Å; E8-L158 VanDerWaalsContact CD-CD1 3.43Å; E8-L158 HydrophobicContact CG-CD1 4.07Å; E8-L158 WeakPolarHBondContact OE1-CD1 3.47Å; E8-R162 IonicContact OE1-CZ 2.72Å; E8-R162 VanDerWaalsContact OE1-CZ 3.32Å; E8-R162 IonicContact OE1-NH1 3.05Å; E8-R162 PolarHBondContact OE1-NH1 2.99Å; E8-R162 IonicContact OE1-NH2 3.32Å; E8-R162 PolarHBondContact OE1-NH2 3.04Å; E8-R162 IonicContact OE2-CZ 2.94Å; E8-R162 IonicContact OE2-NH1 2.65Å; E8-R162 IonicContact OE2-NH2 3.67Å; E8-R162 PolarHBondContact OE2-NH2 2.85Å
9F98.6Very high97.8Very high111 Ų11164.2 Ų64.249%0.48732%0.315SS..Hα-helixtrans-56.5-50.5176.9172.7-97.9000111.6L5 R6 I7 I11 Q12 Q13L5-F9 WeakPolarHBondContact O-CB 3.44Å; L5-F9 PolarHBondContact O-N 3.37Å; R6-F9 PolarHBondContact O-N 3.03Å; I7-F9 PolarHBondContact O-N 3.44Å; F9-I11 PolarHBondContact O-N 2.94Å; F9-Q12 WeakPolarHBondContact O-CB 3.37Å; F9-Q12 PolarHBondContact O-N 3.44Å; F9-Q13 HydrophobicContact CD1-CG 4.29Å; F9-Q13 HydrophobicContact CE1-CG 3.83Å; F9-Q13 HydrophobicContact CE2-CG 4.2Å; F9-Q13 HydrophobicContact CZ-CG 3.79Å; F9-Q13 WeakPolarHBondContact O-CG 3.38Å; F9-Q13 PolarHBondContact O-N 3.3Å
10L98.7Very high97.9Very high16 Ų1661.2 Ų61.28%0.08430%0.3CS..Hα-helixtrans-65.5-37.4-177.3-66.9167.2000112.5R6 I7 E8 Q13 L14 N32 E35 L36R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.29Å; R6-L10 PolarHBondContact O-N 2.98Å; I7-L10 PolarHBondContact O-N 3.18Å; E8-L10 PolarHBondContact O-N 3.37Å; L10-Q13 PolarHBondContact O-N 3.47Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 3.27Å; L10-N32 HydrophobicContact CD2-CB 4.48Å; L10-N32 WeakPolarHBondContact CD2-OD1 3.36Å; L10-E35 HydrophobicContact CD1-CB 3.8Å; L10-E35 HydrophobicContact CD2-CB 3.72Å; L10-E35 HydrophobicContact CD2-CG 4.4Å; L10-E35 HydrophobicContact CG-CB 4.43Å; L10-L36 HydrophobicContact CB-CD1 4.12Å; L10-L36 HydrophobicContact CB-CD2 3.65Å; L10-L36 HydrophobicContact CB-CG 3.58Å; L10-L36 HydrophobicContact CD1-CD2 3.99Å; L10-L36 HydrophobicContact CD1-CG 4.02Å; L10-L36 HydrophobicContact CG-CD2 4.49Å; L10-L36 HydrophobicContact CG-CG 4.43Å
11I98.6Very high97.9Very high21 Ų2162.4 Ų62.411%0.10831%0.311CS..Hα-helixtrans-63.3-45.2174.5-71.9172.5000110.3I7 E8 F9 Q13 L14 L36 L150 T151 L154I7-I11 HydrophobicContact CG2-CD1 3.58Å; I7-I11 HydrophobicContact CG2-CG1 4.2Å; I7-I11 WeakPolarHBondContact O-CB 3.42Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.27Å; E8-I11 PolarHBondContact O-N 3.1Å; F9-I11 PolarHBondContact O-N 2.94Å; I11-Q13 VanDerWaalsContact C-N 3.27Å; I11-Q13 PolarHBondContact O-N 3Å; I11-L14 WeakPolarHBondContact O-CB 3.39Å; I11-L14 PolarHBondContact O-N 3.25Å; I11-L14 VanDerWaalsContact O-N 3.14Å; I11-L36 HydrophobicContact CG1-CD1 4.05Å; I11-L36 HydrophobicContact CG1-CD2 4.09Å; I11-L150 HydrophobicContact CD1-CD2 4.17Å; I11-L150 HydrophobicContact CD1-CG 4.35Å; I11-T151 HydrophobicContact CG2-CG2 3.95Å; I11-L154 HydrophobicContact CD1-CD2 4.36Å
12Q98.4Very high98Very high102 Ų10264.7 Ų64.748%0.47732%0.324SS..Hα-helixtrans-59.1-40.7176.9-71.9169.1-5.100111.4E8 F9 L14 T15 V16E8-Q12 VanDerWaalsContact O-CG 3.3Å; E8-Q12 WeakPolarHBondContact O-CG 3.39Å; E8-Q12 PolarHBondContact O-N 3.35Å; F9-Q12 WeakPolarHBondContact O-CB 3.37Å; F9-Q12 PolarHBondContact O-N 3.44Å; Q12-L14 PolarHBondContact O-N 3.23Å; Q12-T15 PolarHBondContact O-N 3.21Å; Q12-T15 PolarHBondContact O-OG1 3.42Å; Q12-T15 VanDerWaalsContact O-OG1 3.08Å; Q12-V16 WeakPolarHBondContact O-CG2 3.37Å
13Q98.6Very high98.1Very high41 Ų4158.1 Ų58.119%0.19230%0.301CS..Hα-helixtrans-60.2-28.9178.6-69-55.7-64.500113.3F9 L10 I11 T15 V16 H28 N32F9-Q13 HydrophobicContact CD1-CG 4.29Å; F9-Q13 HydrophobicContact CE1-CG 3.83Å; F9-Q13 HydrophobicContact CE2-CG 4.2Å; F9-Q13 HydrophobicContact CZ-CG 3.79Å; F9-Q13 WeakPolarHBondContact O-CG 3.38Å; F9-Q13 PolarHBondContact O-N 3.3Å; L10-Q13 PolarHBondContact O-N 3.47Å; I11-Q13 VanDerWaalsContact C-N 3.27Å; I11-Q13 PolarHBondContact O-N 3Å; Q13-T15 PolarHBondContact O-N 2.99Å; Q13-T15 VanDerWaalsContact O-N 3.1Å; Q13-V16 PolarHBondContact O-N 3.14Å; Q13-H28 PolarHBondContact O-CE1 3.28Å; Q13-H28 PolarHBondContact OE1-NE2 3.02Å; Q13-N32 HydrophobicContact CB-CB 4.2Å; Q13-N32 VanDerWaalsContact CB-CG 3.42Å; Q13-N32 VanDerWaalsContact CB-OD1 3.3Å; Q13-N32 WeakPolarHBondContact CB-OD1 3.32Å
14L98.6Very high98.2Very high4 Ų458 Ų582%0.02131%0.307CS..Hα-helixtrans-60.8-23.5-179.5-59.1-175.8000113.6L10 I11 Q12 F29 N32 V33 L36 I144 L147L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 3.27Å; I11-L14 WeakPolarHBondContact O-CB 3.39Å; I11-L14 PolarHBondContact O-N 3.25Å; I11-L14 VanDerWaalsContact O-N 3.14Å; Q12-L14 PolarHBondContact O-N 3.23Å; L14-F29 HydrophobicContact CB-CD2 4.31Å; L14-F29 HydrophobicContact CB-CE2 4Å; L14-F29 HydrophobicContact CD2-CD2 4.15Å; L14-F29 HydrophobicContact CD2-CE2 4.09Å; L14-F29 WeakPolarHBondContact O-CD2 3.24Å; L14-N32 HydrophobicContact CD2-CB 3.68Å; L14-V33 HydrophobicContact CD2-CG2 3.66Å; L14-L36 HydrophobicContact CD1-CD1 3.9Å; L14-L36 HydrophobicContact CG-CD1 4.4Å; L14-I144 HydrophobicContact CB-CD1 4.48Å; L14-I144 HydrophobicContact CB-CG1 4.33Å; L14-L147 HydrophobicContact CD1-CD1 3.62Å
15T97.6Very high98.2Very high79 Ų7957.4 Ų57.449%0.48531%0.308SS..Hα-helixtrans-106.4-9.1-17753.20000114.5Q12 Q13 N17 L18 I144Q12-T15 PolarHBondContact O-N 3.21Å; Q12-T15 PolarHBondContact O-OG1 3.42Å; Q12-T15 VanDerWaalsContact O-OG1 3.08Å; Q13-T15 PolarHBondContact O-N 2.99Å; Q13-T15 VanDerWaalsContact O-N 3.1Å; T15-N17 PolarHBondContact O-N 3.42Å; T15-L18 HydrophobicContact CG2-CD1 4.17Å; T15-I144 HydrophobicContact CG2-CD1 4.02Å
16V97.6Very high98.2Very high85 Ų8554.5 Ų54.552%0.51529%0.293SS..Hα-helixtrans-66.1-41-170.61710000113Q12 Q13Q12-V16 WeakPolarHBondContact O-CG2 3.37Å; Q13-V16 PolarHBondContact O-N 3.14Å
17N97.4Very high98.2Very high83 Ų8350.3 Ų50.344%0.44428%0.28SS..THydrogen-bonded Turntrans-109.825.4-174-66-36.7000112.7T15 H28T15-N17 PolarHBondContact O-N 3.42Å; N17-H28 PolarHBondContact ND2-CE1 3.36Å; N17-H28 VanDerWaalsContact ND2-CE1 3.27Å; N17-H28 PolarHBondContact ND2-ND1 3.31Å; N17-H28 VanDerWaalsContact ND2-ND1 3.15Å
18L98.1Very high98.2Very high68 Ų6852.5 Ų52.536%0.35629%0.29SS..  trans-76.5147.5175.1-63.2-176000111.1T15 I20 V140 I144T15-L18 HydrophobicContact CG2-CD1 4.17Å; L18-I20 HydrophobicContact CD2-CD1 4.39Å; L18-I20 HydrophobicContact CD2-CG1 3.84Å; L18-V140 HydrophobicContact CD1-CG1 4.22Å; L18-V140 HydrophobicContact CD2-CG1 3.67Å; L18-I144 HydrophobicContact CD1-CD1 3.77Å
19P98.6Very high98.2Very high70 Ų7051.5 Ų51.546%0.45529%0.285SS..SBendcis-77.5158-1.532.3-35.1000113.2V21 D137P19-V21 HydrophobicContact CG-CG2 4.02Å; P19-V21 PolarHBondContact O-N 2.84Å; P19-V21 VanDerWaalsContact O-N 3.1Å; P19-D137 WeakPolarHBondContact CB-OD1 3.46Å
20I98.7Very high98.2Very high3 Ų346.2 Ų46.22%0.01526%0.262CS..  trans-77.699.6176.7-58.7-178.9000109.3L18 A26 F29 W128 L129 Q133 R136 V140L18-I20 HydrophobicContact CD2-CD1 4.39Å; L18-I20 HydrophobicContact CD2-CG1 3.84Å; I20-A26 HydrophobicContact CG2-CB 3.78Å; I20-F29 HydrophobicContact CD1-CB 3.52Å; I20-F29 HydrophobicContact CD1-CD1 3.95Å; I20-F29 HydrophobicContact CD1-CD2 3.98Å; I20-F29 HydrophobicContact CD1-CG 3.55Å; I20-F29 HydrophobicContact CG1-CB 4.47Å; I20-W128 HydrophobicContact CB-CH2 4.19Å; I20-W128 HydrophobicContact CB-CZ3 4.44Å; I20-W128 HydrophobicContact CD1-CH2 4.09Å; I20-W128 HydrophobicContact CG2-CH2 3.98Å; I20-W128 HydrophobicContact CG2-CZ3 3.73Å; I20-L129 HydrophobicContact CG2-CD2 3.98Å; I20-Q133 PolarHBondContact O-NE2 3.25Å; I20-R136 PolarHBondContact O-NH1 2.94Å; I20-V140 HydrophobicContact CD1-CG2 3.63Å; I20-V140 HydrophobicContact CG1-CG2 4.28Å
21V98.4Very high98.2Very high87 Ų8752.3 Ų52.353%0.52728%0.284SS..  trans-99.4-37.2-178-1770000112.2P19 R136P19-V21 HydrophobicContact CG-CG2 4.02Å; P19-V21 PolarHBondContact O-N 2.84Å; P19-V21 VanDerWaalsContact O-N 3.1Å; V21-R136 VanDerWaalsContact C-NH1 3.29Å; V21-R136 PolarHBondContact O-NH1 3.28Å
22D97.7Very high98.2Very high89 Ų8952 Ų5248%0.47628%0.283SS..SBendtrans-129.1179.8-170.673.1-2000113.1A24 G25 A26 L129D22-A24 VanDerWaalsContact C-N 3.34Å; D22-A24 PolarHBondContact O-N 2.93Å; D22-A24 PolarHBondContact OD1-N 2.95Å; D22-G25 PolarHBondContact OD1-N 3.24Å; D22-A26 PolarHBondContact O-N 3.39Å; D22-A26 VanDerWaalsContact O-N 3.11Å; D22-L129 WeakPolarHBondContact O-CD2 3.42Å
23H97.7Very high98.2Very high50 Ų5047.1 Ų47.123%0.23126%0.26CS..Hα-helixtrans-65.9-36.6-177.8-15583.8000112.5A26 L27 C117 L129H23-A26 PolarHBondContact O-N 3.34Å; H23-L27 VanDerWaalsContact O-CG 3.32Å; H23-L27 WeakPolarHBondContact O-CG 3.39Å; H23-L27 PolarHBondContact O-N 3.43Å; H23-C117 PolarHBondContact CE1-O 2.91Å; H23-C117 VanDerWaalsContact CE1-O 3.29Å; H23-C117 PolarHBondContact NE2-O 2.9Å; H23-L129 HydrophobicContact CB-CD1 4.07Å
24A97.7Very high98.2Very high67 Ų6745.8 Ų45.855%0.55426%0.255SS*.Hα-helixtrans-65.5-47.1179.300000111.4D22 A26 L27 H28D22-A24 VanDerWaalsContact C-N 3.34Å; D22-A24 PolarHBondContact O-N 2.93Å; D22-A24 PolarHBondContact OD1-N 2.95Å; A24-A26 VanDerWaalsContact C-N 3.34Å; A24-A26 PolarHBondContact O-N 3.31Å; A24-L27 PolarHBondContact O-N 3.04Å; A24-H28 PolarHBondContact O-N 2.92Å
25G98.1Very high98.2Very high9 Ų950.1 Ų50.19%0.09328%0.275CS..Hα-helixtrans-60.7-41.6175.700000112.5D22 H28 F29D22-G25 PolarHBondContact OD1-N 3.24Å; G25-H28 PolarHBondContact O-N 3.04Å; G25-F29 PolarHBondContact O-N 3.27Å
26A98.4Very high98.2Very high0 Ų046.3 Ų46.30%025%0.252CS..Hα-helixtrans-61.9-47.8175.500000112.3I20 D22 H23 A24 H28 F29 F30 L125 W128 L129I20-A26 HydrophobicContact CG2-CB 3.78Å; D22-A26 PolarHBondContact O-N 3.39Å; D22-A26 VanDerWaalsContact O-N 3.11Å; H23-A26 PolarHBondContact O-N 3.34Å; A24-A26 VanDerWaalsContact C-N 3.34Å; A24-A26 PolarHBondContact O-N 3.31Å; A26-H28 VanDerWaalsContact C-N 3.32Å; A26-H28 PolarHBondContact O-N 3.43Å; A26-F29 PolarHBondContact O-N 3.45Å; A26-F30 HydrophobicContact CB-CD2 4.17Å; A26-F30 HydrophobicContact CB-CE2 4.08Å; A26-F30 WeakPolarHBondContact O-CD2 3.25Å; A26-F30 PolarHBondContact O-N 3.02Å; A26-L125 HydrophobicContact CB-CD1 4.09Å; A26-W128 HydrophobicContact CB-CZ3 4.41Å; A26-L129 HydrophobicContact CB-CD1 4.3Å; A26-L129 HydrophobicContact CB-CD2 4.02Å
27L98.1Very high98.2Very high47 Ų4742.3 Ų42.325%0.24623%0.227CC..Hα-helixtrans-64.3-37.4179.8-66.6-176.6000112.4H23 A24 R31 C117 L125H23-L27 VanDerWaalsContact O-CG 3.32Å; H23-L27 WeakPolarHBondContact O-CG 3.39Å; H23-L27 PolarHBondContact O-N 3.43Å; A24-L27 PolarHBondContact O-N 3.04Å; L27-R31 WeakPolarHBondContact O-CB 3.36Å; L27-R31 PolarHBondContact O-N 3.31Å; L27-C117 HydrophobicContact CD1-CB 4.11Å; L27-C117 HydrophobicContact CD2-CB 3.53Å; L27-C117 HydrophobicContact CG-CB 4.49Å; L27-L125 HydrophobicContact CD2-CD2 4.24Å
28H98.4Very high98.2Very high46 Ų4640.6 Ų40.621%0.21322%0.218CC..Hα-helixtrans-59.8-49.5172.7173.8-98.3000111.1Q13 N17 A24 G25 A26 N32Q13-H28 PolarHBondContact O-CE1 3.28Å; Q13-H28 PolarHBondContact OE1-NE2 3.02Å; N17-H28 PolarHBondContact ND2-CE1 3.36Å; N17-H28 VanDerWaalsContact ND2-CE1 3.27Å; N17-H28 PolarHBondContact ND2-ND1 3.31Å; N17-H28 VanDerWaalsContact ND2-ND1 3.15Å; A24-H28 PolarHBondContact O-N 2.92Å; G25-H28 PolarHBondContact O-N 3.04Å; A26-H28 VanDerWaalsContact C-N 3.32Å; A26-H28 PolarHBondContact O-N 3.43Å; H28-N32 PolarHBondContact NE2-ND2 2.96Å; H28-N32 PolarHBondContact O-N 3.08Å; H28-N32 PolarHBondContact O-ND2 2.9Å
29F98.8Very high98.2Very high4 Ų438.6 Ų38.62%0.01821%0.209CC..Hα-helixtrans-60.3-56.1178.3-177.7-92.7000112.3L14 I20 G25 A26 R31 N32 V33 V140 W143 I144L14-F29 HydrophobicContact CB-CD2 4.31Å; L14-F29 HydrophobicContact CB-CE2 4Å; L14-F29 HydrophobicContact CD2-CD2 4.15Å; L14-F29 HydrophobicContact CD2-CE2 4.09Å; L14-F29 WeakPolarHBondContact O-CD2 3.24Å; I20-F29 HydrophobicContact CD1-CB 3.52Å; I20-F29 HydrophobicContact CD1-CD1 3.95Å; I20-F29 HydrophobicContact CD1-CD2 3.98Å; I20-F29 HydrophobicContact CD1-CG 3.55Å; I20-F29 HydrophobicContact CG1-CB 4.47Å; G25-F29 PolarHBondContact O-N 3.27Å; A26-F29 PolarHBondContact O-N 3.45Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 2.94Å; F29-N32 PolarHBondContact O-N 2.84Å; F29-N32 VanDerWaalsContact O-N 3.16Å; F29-V33 HydrophobicContact CD1-CG2 4.03Å; F29-V33 HydrophobicContact CE1-CG2 3.63Å; F29-V33 HydrophobicContact CZ-CG2 3.94Å; F29-V33 WeakPolarHBondContact O-CG2 3.31Å; F29-V33 PolarHBondContact O-N 2.83Å; F29-V140 HydrophobicContact CD2-CG1 4.45Å; F29-V140 HydrophobicContact CE2-CG1 3.84Å; F29-V140 HydrophobicContact CZ-CG1 4.11Å; F29-W143 HydrophobicContact CD1-CE3 4.49Å; F29-W143 HydrophobicContact CE1-CD2 4.42Å; F29-W143 AromaticContact CE1-CE3 3.52Å; F29-W143 HydrophobicContact CE1-CE3 3.52Å; F29-W143 HydrophobicContact CE1-CZ3 4.08Å; F29-W143 HydrophobicContact CZ-CB 4.27Å; F29-W143 AromaticContact CZ-CE3 3.9Å; F29-W143 HydrophobicContact CZ-CE3 3.9Å; F29-I144 HydrophobicContact CE2-CD1 4.05Å; F29-I144 HydrophobicContact CE2-CG1 3.98Å; F29-I144 HydrophobicContact CZ-CG1 4.27Å
30F98.6Very high98.1Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-66.4-30.1-175.6-69.1-61.9000113A26 S34 L103 I104 V107 L125 W128 W143A26-F30 HydrophobicContact CB-CD2 4.17Å; A26-F30 HydrophobicContact CB-CE2 4.08Å; A26-F30 WeakPolarHBondContact O-CD2 3.25Å; A26-F30 PolarHBondContact O-N 3.02Å; F30-S34 WeakPolarHBondContact O-CB 3.4Å; F30-S34 PolarHBondContact O-N 3.07Å; F30-L103 HydrophobicContact CE1-CD2 4.42Å; F30-L103 HydrophobicContact CE1-CG 4.39Å; F30-L103 HydrophobicContact CE2-CD2 4.47Å; F30-L103 HydrophobicContact CZ-CD2 3.72Å; F30-L103 HydrophobicContact CZ-CG 4.02Å; F30-I104 HydrophobicContact CD1-CG1 3.91Å; F30-I104 HydrophobicContact CE1-CG1 3.71Å; F30-V107 HydrophobicContact CB-CB 4.22Å; F30-V107 HydrophobicContact CB-CG1 3.57Å; F30-V107 HydrophobicContact CD2-CB 4.49Å; F30-V107 HydrophobicContact CD2-CG1 4.17Å; F30-V107 HydrophobicContact CD2-CG2 4.09Å; F30-V107 HydrophobicContact CE2-CG2 4.42Å; F30-V107 HydrophobicContact CG-CB 4.21Å; F30-V107 HydrophobicContact CG-CG1 3.96Å; F30-V107 HydrophobicContact CG-CG2 4.24Å; F30-L125 HydrophobicContact CD2-CD1 4.23Å; F30-L125 HydrophobicContact CE2-CD1 3.59Å; F30-L125 HydrophobicContact CZ-CD1 4.44Å; F30-W128 HydrophobicContact CE2-CZ3 4.26Å; F30-W128 HydrophobicContact CZ-CH2 4.46Å; F30-W128 HydrophobicContact CZ-CZ3 4.45Å; F30-W143 HydrophobicContact CE1-CH2 4.08Å; F30-W143 AromaticContact CE1-CZ3 3.93Å; F30-W143 HydrophobicContact CE1-CZ3 3.93Å; F30-W143 AromaticContact CZ-CH2 3.97Å; F30-W143 HydrophobicContact CZ-CH2 3.97Å; F30-W143 AromaticContact CZ-CZ3 3.88Å; F30-W143 HydrophobicContact CZ-CZ3 3.88Å
31R98.4Very high97.8Very high144 Ų14440.8 Ų40.854%0.54321%0.213SC..Hα-helixtrans-64.8-46.4172.8-175.9-179.9-82.4-141.2-4.4111.3L27 F29 V33 S34 E35 L111L27-R31 WeakPolarHBondContact O-CB 3.36Å; L27-R31 PolarHBondContact O-N 3.31Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 2.94Å; R31-V33 PolarHBondContact O-N 3.18Å; R31-S34 WeakPolarHBondContact O-CB 3.5Å; R31-S34 PolarHBondContact O-N 2.71Å; R31-S34 VanDerWaalsContact O-N 3.16Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 2.83Å; R31-L111 HydrophobicContact CB-CD1 4.45Å; R31-L111 HydrophobicContact CB-CD2 4.22Å
32N98.7Very high97.5Very high14 Ų1446.9 Ų46.98%0.07523%0.226CC..Hα-helixtrans-65.7-37.9177.5-75.3-74.2000112.2L10 Q13 L14 H28 F29 S34 E35 L36L10-N32 HydrophobicContact CD2-CB 4.48Å; L10-N32 WeakPolarHBondContact CD2-OD1 3.36Å; Q13-N32 HydrophobicContact CB-CB 4.2Å; Q13-N32 VanDerWaalsContact CB-CG 3.42Å; Q13-N32 VanDerWaalsContact CB-OD1 3.3Å; Q13-N32 WeakPolarHBondContact CB-OD1 3.32Å; L14-N32 HydrophobicContact CD2-CB 3.68Å; H28-N32 PolarHBondContact NE2-ND2 2.96Å; H28-N32 PolarHBondContact O-N 3.08Å; H28-N32 PolarHBondContact O-ND2 2.9Å; F29-N32 PolarHBondContact O-N 2.84Å; F29-N32 VanDerWaalsContact O-N 3.16Å; N32-S34 VanDerWaalsContact C-N 3.34Å; N32-S34 PolarHBondContact O-N 2.85Å; N32-E35 PolarHBondContact O-N 2.87Å; N32-L36 WeakPolarHBondContact O-CG 3.19Å; N32-L36 PolarHBondContact O-N 3.44Å
33V98.7Very high96.7Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-59.6-44.6170.41710000111.1L14 F29 R31 L36 L37 L98 I104L14-V33 HydrophobicContact CD2-CG2 3.66Å; F29-V33 HydrophobicContact CD1-CG2 4.03Å; F29-V33 HydrophobicContact CE1-CG2 3.63Å; F29-V33 HydrophobicContact CZ-CG2 3.94Å; F29-V33 WeakPolarHBondContact O-CG2 3.31Å; F29-V33 PolarHBondContact O-N 2.83Å; R31-V33 PolarHBondContact O-N 3.18Å; V33-L36 WeakPolarHBondContact O-CB 3.48Å; V33-L36 PolarHBondContact O-N 3.32Å; V33-L37 HydrophobicContact CG1-CD1 4.19Å; V33-L37 HydrophobicContact CG1-CG 4.44Å; V33-L37 WeakPolarHBondContact O-CG 3.21Å; V33-L37 PolarHBondContact O-N 3.27Å; V33-L98 HydrophobicContact CG1-CB 4.42Å; V33-L98 HydrophobicContact CG1-CD1 4.14Å; V33-I104 HydrophobicContact CG1-CD1 4.15Å; V33-I104 HydrophobicContact CG1-CG2 3.81Å
34S98.4Very high96.3Very high12 Ų1248.8 Ų48.88%0.08424%0.244CC..Hα-helixtrans-60.9-48.9178.8-165.60000112.2F30 R31 N32 L36 L37 D38 R108 L111F30-S34 WeakPolarHBondContact O-CB 3.4Å; F30-S34 PolarHBondContact O-N 3.07Å; R31-S34 WeakPolarHBondContact O-CB 3.5Å; R31-S34 PolarHBondContact O-N 2.71Å; R31-S34 VanDerWaalsContact O-N 3.16Å; N32-S34 VanDerWaalsContact C-N 3.34Å; N32-S34 PolarHBondContact O-N 2.85Å; S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 2.82Å; S34-L37 PolarHBondContact O-N 3.24Å; S34-L37 VanDerWaalsContact O-N 3.11Å; S34-D38 VanDerWaalsContact O-CG 3.24Å; S34-D38 PolarHBondContact O-N 3.43Å; S34-R108 PolarHBondContact OG-NE 3Å; S34-R108 VanDerWaalsContact OG-NE 3.15Å; S34-L111 VanDerWaalsContact CB-CD1 3.49Å
35E98.1Very high96.2Very high95 Ų9546.2 Ų46.244%0.44422%0.221SC..Hα-helixtrans-61-38179.1-66.8-73.6170.400111.4L10 R31 N32 D38 V39L10-E35 HydrophobicContact CD1-CB 3.8Å; L10-E35 HydrophobicContact CD2-CB 3.72Å; L10-E35 HydrophobicContact CD2-CG 4.4Å; L10-E35 HydrophobicContact CG-CB 4.43Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 2.83Å; N32-E35 PolarHBondContact O-N 2.87Å; E35-D38 PolarHBondContact O-N 3.49Å; E35-V39 VanDerWaalsContact O-CG2 3.32Å; E35-V39 WeakPolarHBondContact O-CG2 3.28Å; E35-V39 PolarHBondContact O-N 2.93Å
36L98.1Very high96.2Very high0 Ų048.8 Ų48.80%023%0.228CC..Hα-helixtrans-61.1-47.8172.5-81.5168.7000111.7I7 L10 I11 L14 N32 V33 S34 D38 V39 F40 L147I7-L36 HydrophobicContact CB-CD2 4.32Å; I7-L36 HydrophobicContact CG1-CD2 4.39Å; I7-L36 HydrophobicContact CG2-CD2 3.93Å; L10-L36 HydrophobicContact CB-CD1 4.12Å; L10-L36 HydrophobicContact CB-CD2 3.65Å; L10-L36 HydrophobicContact CB-CG 3.58Å; L10-L36 HydrophobicContact CD1-CD2 3.99Å; L10-L36 HydrophobicContact CD1-CG 4.02Å; L10-L36 HydrophobicContact CG-CD2 4.49Å; L10-L36 HydrophobicContact CG-CG 4.43Å; I11-L36 HydrophobicContact CG1-CD1 4.05Å; I11-L36 HydrophobicContact CG1-CD2 4.09Å; L14-L36 HydrophobicContact CD1-CD1 3.9Å; L14-L36 HydrophobicContact CG-CD1 4.4Å; N32-L36 WeakPolarHBondContact O-CG 3.19Å; N32-L36 PolarHBondContact O-N 3.44Å; V33-L36 WeakPolarHBondContact O-CB 3.48Å; V33-L36 PolarHBondContact O-N 3.32Å; S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 2.82Å; L36-D38 VanDerWaalsContact C-N 3.3Å; L36-D38 PolarHBondContact O-N 2.63Å; L36-V39 PolarHBondContact O-N 2.9Å; L36-F40 HydrophobicContact CB-CE2 4.12Å; L36-F40 HydrophobicContact CB-CZ 4.18Å; L36-F40 HydrophobicContact CD2-CE1 4.28Å; L36-F40 HydrophobicContact CD2-CZ 3.94Å; L36-F40 WeakPolarHBondContact O-CD1 3.22Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 WeakPolarHBondContact O-CG 3.39Å; L36-F40 PolarHBondContact O-N 2.9Å; L36-L147 HydrophobicContact CD1-CD1 4.07Å
37L98Very high96.1Very high0 Ų051.2 Ų51.20%024%0.243CC..Hα-helixtrans-62-38.8179.3-70-177.6000111.8V33 S34 V39 F40 E41 L98 R99 I104V33-L37 HydrophobicContact CG1-CD1 4.19Å; V33-L37 HydrophobicContact CG1-CG 4.44Å; V33-L37 WeakPolarHBondContact O-CG 3.21Å; V33-L37 PolarHBondContact O-N 3.27Å; S34-L37 PolarHBondContact O-N 3.24Å; S34-L37 VanDerWaalsContact O-N 3.11Å; L37-V39 VanDerWaalsContact C-N 3.35Å; L37-F40 HydrophobicContact CD2-CD2 4.07Å; L37-F40 PolarHBondContact O-N 3.29Å; L37-E41 WeakPolarHBondContact O-CG 3.27Å; L37-E41 PolarHBondContact O-N 3.21Å; L37-E41 VanDerWaalsContact O-N 3.09Å; L37-L98 HydrophobicContact CD1-CB 4.27Å; L37-L98 HydrophobicContact CD2-CB 4.18Å; L37-R99 HydrophobicContact CD1-CG 4.1Å; L37-R99 HydrophobicContact CD2-CG 3.78Å; L37-R99 PolarHBondContact O-NH2 2.94Å; L37-I104 HydrophobicContact CD1-CG2 4.24Å
38D97.3Very high96Very high48 Ų4853.4 Ų53.426%0.25725%0.252SS..Hα-helixtrans-67-36.2177-64.3-7.2000111.5S34 E35 L36 E41 R42 R108S34-D38 VanDerWaalsContact O-CG 3.24Å; S34-D38 PolarHBondContact O-N 3.43Å; E35-D38 PolarHBondContact O-N 3.49Å; L36-D38 VanDerWaalsContact C-N 3.3Å; L36-D38 PolarHBondContact O-N 2.63Å; D38-E41 PolarHBondContact O-N 2.94Å; D38-R42 WeakPolarHBondContact O-CG 3.5Å; D38-R108 IonicContact OD1-CZ 3.65Å; D38-R108 IonicContact OD1-NH2 2.66Å; D38-R108 PolarHBondContact OD1-NH2 3.25Å
39V96.7Very high96Very high25 Ų2551.2 Ų51.215%0.15224%0.242CC..Hα-helixtrans-67.1-41.1172.7173.60000111.2T3 I7 E35 L36 L37 E41 R42T3-V39 HydrophobicContact CG2-CG1 3.71Å; I7-V39 HydrophobicContact CD1-CG1 3.89Å; I7-V39 HydrophobicContact CG1-CG1 3.76Å; E35-V39 VanDerWaalsContact O-CG2 3.32Å; E35-V39 WeakPolarHBondContact O-CG2 3.28Å; E35-V39 PolarHBondContact O-N 2.93Å; L36-V39 PolarHBondContact O-N 2.9Å; L37-V39 VanDerWaalsContact C-N 3.35Å; V39-E41 VanDerWaalsContact C-N 3.26Å; V39-E41 PolarHBondContact O-N 3.33Å; V39-R42 PolarHBondContact O-N 3.49Å
40F96.6Very high96Very high14 Ų1452.7 Ų52.76%0.06125%0.25CC..Hα-helixtrans-66.8-23.9178.7-60.9-22.4000113.5I7 L36 L37 V45 I94 L147 L150I7-F40 HydrophobicContact CD1-CD1 4.45Å; I7-F40 HydrophobicContact CD1-CE1 4.03Å; I7-F40 HydrophobicContact CG1-CE1 4.26Å; I7-F40 HydrophobicContact CG2-CE1 4.32Å; L36-F40 HydrophobicContact CB-CE2 4.12Å; L36-F40 HydrophobicContact CB-CZ 4.18Å; L36-F40 HydrophobicContact CD2-CE1 4.28Å; L36-F40 HydrophobicContact CD2-CZ 3.94Å; L36-F40 WeakPolarHBondContact O-CD1 3.22Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 WeakPolarHBondContact O-CG 3.39Å; L36-F40 PolarHBondContact O-N 2.9Å; L37-F40 HydrophobicContact CD2-CD2 4.07Å; L37-F40 PolarHBondContact O-N 3.29Å; F40-V45 HydrophobicContact CD1-CG2 4.19Å; F40-I94 HydrophobicContact CD1-CG2 3.97Å; F40-I94 HydrophobicContact CD2-CG2 3.73Å; F40-I94 HydrophobicContact CE1-CG2 3.82Å; F40-I94 HydrophobicContact CE2-CG2 3.57Å; F40-I94 HydrophobicContact CG-CG2 3.94Å; F40-I94 HydrophobicContact CZ-CG2 3.62Å; F40-L147 HydrophobicContact CE2-CD2 4.06Å; F40-L147 HydrophobicContact CZ-CD2 4.37Å; F40-L150 HydrophobicContact CE1-CD2 3.52Å; F40-L150 HydrophobicContact CE2-CD2 4.49Å; F40-L150 HydrophobicContact CZ-CD2 3.39Å
41E93.5Very high95.9Very high106 Ų10658.2 Ų58.250%0.49527%0.274SS..Hα-helixtrans-72.6-29.5175.8-73.1172.2-164.500112.9L37 D38 V39 R99 R108L37-E41 WeakPolarHBondContact O-CG 3.27Å; L37-E41 PolarHBondContact O-N 3.21Å; L37-E41 VanDerWaalsContact O-N 3.09Å; D38-E41 PolarHBondContact O-N 2.94Å; V39-E41 VanDerWaalsContact C-N 3.26Å; V39-E41 PolarHBondContact O-N 3.33Å; E41-R99 VanDerWaalsContact CG-NH1 3.25Å; E41-R99 VanDerWaalsContact CG-NH2 3.29Å; E41-R99 IonicContact OE1-CZ 2.74Å; E41-R99 IonicContact OE1-NH1 3.82Å; E41-R99 PolarHBondContact OE1-NH1 2.91Å; E41-R99 IonicContact OE1-NH2 2.71Å; E41-R108 IonicContact OE1-NH2 2.76Å
42R90.9Very high95.9Very high214 Ų21452 Ų5281%0.80825%0.251SS*.SBendtrans-83-11.8-169.7-67.7178.8-171.4-167.54.9114.6D38 V39D38-R42 WeakPolarHBondContact O-CG 3.5Å; V39-R42 PolarHBondContact O-N 3.49Å
43G82.3Confident95.9Very high43 Ų4351.4 Ų51.444%0.44325%0.248SC..SBendtrans-175.8172.8-177.400000115.8V45G43-V45 PolarHBondContact O-N 3.38Å
44E88.9Confident95.9Very high136 Ų13655.2 Ų55.264%0.63627%0.268SS*.  trans-85.471.7-175.6-63.3-158.4-176.300112.8R46 T47 E48E44-R46 PolarHBondContact O-N 3.13Å; E44-T47 PolarHBondContact O-N 3.1Å; E44-T47 WeakPolarHBondContact OE2-CB 3.48Å; E44-T47 PolarHBondContact OE2-OG1 3.34Å; E44-E48 PolarHBondContact O-N 3.48Å
45V96Very high95.8Very high13 Ų1358.2 Ų58.28%0.07928%0.278CS..Hα-helixtrans-54.2-41178.6177.20000111.9T3 I7 F40 G43 L49 I94 L150T3-V45 HydrophobicContact CG2-CG2 4.49Å; I7-V45 HydrophobicContact CD1-CB 4.48Å; I7-V45 HydrophobicContact CD1-CG1 3.77Å; I7-V45 HydrophobicContact CD1-CG2 3.82Å; F40-V45 HydrophobicContact CD1-CG2 4.19Å; G43-V45 PolarHBondContact O-N 3.38Å; V45-L49 WeakPolarHBondContact O-CB 3.12Å; V45-L49 PolarHBondContact O-N 2.93Å; V45-I94 HydrophobicContact CB-CD1 4.33Å; V45-I94 HydrophobicContact CG1-CD1 4.33Å; V45-L150 HydrophobicContact CG1-CD1 3.78Å
46R96.8Very high95.8Very high63 Ų6354 Ų5424%0.23826%0.258CS..Hα-helixtrans-59.6-55.6179.3-179.2-179.9-63.9173.1-3.8111.6E44 E48 L49 L50 L88 A91 P92 I94E44-R46 PolarHBondContact O-N 3.13Å; R46-E48 VanDerWaalsContact C-N 3.34Å; R46-E48 PolarHBondContact O-N 3.5Å; R46-L49 PolarHBondContact O-N 3.39Å; R46-L50 HydrophobicContact CG-CD1 3.82Å; R46-L50 HydrophobicContact CG-CG 4.34Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.15Å; R46-L88 HydrophobicContact CG-CD1 4.44Å; R46-L88 HydrophobicContact CG-CG 4.15Å; R46-L88 PolarHBondContact NE-O 2.83Å; R46-A91 PolarHBondContact NH1-O 3.43Å; R46-A91 PolarHBondContact NH2-O 3.47Å; R46-P92 PolarHBondContact NH2-O 3.28Å; R46-I94 HydrophobicContact CB-CD1 3.75Å
47T96.7Very high95.8Very high52 Ų5254.9 Ų54.932%0.31926%0.262SS..Hα-helixtrans-60.8-45.4-173.8-53.60000110.8E44 L50 K51E44-T47 PolarHBondContact O-N 3.1Å; E44-T47 WeakPolarHBondContact OE2-CB 3.48Å; E44-T47 PolarHBondContact OE2-OG1 3.34Å; T47-L50 PolarHBondContact O-N 2.91Å; T47-K51 WeakPolarHBondContact O-CG 3.41Å; T47-K51 PolarHBondContact O-N 3.48Å; T47-K51 VanDerWaalsContact O-N 3.11Å
48E96.8Very high95.8Very high93 Ų9363.1 Ų63.144%0.43529%0.293SS..Hα-helixtrans-67.1-37.3178.4-66-56.8118.900112.5E44 R46 K51 E52E44-E48 PolarHBondContact O-N 3.48Å; R46-E48 VanDerWaalsContact C-N 3.34Å; R46-E48 PolarHBondContact O-N 3.5Å; E48-K51 PolarHBondContact O-N 3.01Å; E48-K51 IonicContact OE1-NZ 3.83Å; E48-K51 PolarHBondContact OE1-NZ 3.44Å; E48-E52 PolarHBondContact O-N 3.42Å; E48-E52 VanDerWaalsContact O-N 3.09Å
49L97.8Very high95.7Very high0 Ų064.2 Ų64.20%030%0.296CS..Hα-helixtrans-70.3-37.1177.3-170.959.6000112.3V45 R46 E52 L53 L88 L150 A153 L154 V157V45-L49 WeakPolarHBondContact O-CB 3.12Å; V45-L49 PolarHBondContact O-N 2.93Å; R46-L49 PolarHBondContact O-N 3.39Å; L49-E52 PolarHBondContact O-N 2.73Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.83Å; L49-L88 HydrophobicContact CB-CD2 4.21Å; L49-L88 HydrophobicContact CD2-CD2 3.86Å; L49-L88 HydrophobicContact CG-CD2 4.07Å; L49-L150 HydrophobicContact CD2-CD1 3.67Å; L49-A153 HydrophobicContact CD2-CB 3.61Å; L49-A153 HydrophobicContact CG-CB 4.11Å; L49-L154 HydrophobicContact CD1-CD1 4.37Å; L49-L154 HydrophobicContact CD2-CB 4.27Å; L49-V157 HydrophobicContact CD1-CB 4.12Å; L49-V157 HydrophobicContact CD1-CG1 4.3Å; L49-V157 HydrophobicContact CD1-CG2 3.87Å
50L98.3Very high95.7Very high34 Ų3464 Ų6418%0.17829%0.294CS..Hα-helixtrans-62.5-44173.6-72.2171.2000111.9R46 T47 E52 L53 D54 L88 I89R46-L50 HydrophobicContact CG-CD1 3.82Å; R46-L50 HydrophobicContact CG-CG 4.34Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.15Å; T47-L50 PolarHBondContact O-N 2.91Å; L50-E52 VanDerWaalsContact C-N 3.27Å; L50-E52 PolarHBondContact O-N 2.89Å; L50-L53 HydrophobicContact CD2-CD1 4.25Å; L50-L53 WeakPolarHBondContact O-CB 3.5Å; L50-L53 PolarHBondContact O-N 3.34Å; L50-D54 PolarHBondContact O-N 2.98Å; L50-D54 VanDerWaalsContact O-N 3.1Å; L50-L88 HydrophobicContact CD2-CB 4.22Å; L50-L88 HydrophobicContact CD2-CD2 3.92Å; L50-L88 HydrophobicContact CD2-CG 4.21Å; L50-L88 HydrophobicContact CG-CD2 4.03Å; L50-L88 HydrophobicContact CG-CG 4.47Å; L50-I89 HydrophobicContact CD1-CD1 4.45Å; L50-I89 HydrophobicContact CD1-CG1 3.63Å; L50-I89 HydrophobicContact CD2-CD1 4.11Å; L50-I89 HydrophobicContact CD2-CG1 3.66Å; L50-I89 HydrophobicContact CG-CG1 4.33Å
51K97.9Very high95.7Very high117 Ų11768 Ų6851%0.50931%0.312SS..Hα-helixtrans-58.6-41.4174-71.3173-173.9166.60111.7T47 E48 D54 R55T47-K51 WeakPolarHBondContact O-CG 3.41Å; T47-K51 PolarHBondContact O-N 3.48Å; T47-K51 VanDerWaalsContact O-N 3.11Å; E48-K51 PolarHBondContact O-N 3.01Å; E48-K51 IonicContact OE1-NZ 3.83Å; E48-K51 PolarHBondContact OE1-NZ 3.44Å; K51-D54 PolarHBondContact O-N 3.48Å; K51-R55 PolarHBondContact O-N 3.28Å
52E97.7Very high95.8Very high14 Ų1467.9 Ų67.97%0.06532%0.319CS..Hα-helixtrans-70.2-38.8179.3-167.759.8-149.400112W4 E48 L49 L50 D54 R55 Q56 V157 I161W4-E52 HydrophobicContact CH2-CB 3.55Å; W4-E52 HydrophobicContact CH2-CG 3.49Å; W4-E52 VanDerWaalsContact CH2-CG 3.49Å; W4-E52 HydrophobicContact CZ2-CB 4.05Å; W4-E52 HydrophobicContact CZ2-CG 4.41Å; W4-E52 HydrophobicContact CZ3-CB 4.37Å; W4-E52 HydrophobicContact CZ3-CG 3.83Å; E48-E52 PolarHBondContact O-N 3.42Å; E48-E52 VanDerWaalsContact O-N 3.09Å; L49-E52 PolarHBondContact O-N 2.73Å; L50-E52 VanDerWaalsContact C-N 3.27Å; L50-E52 PolarHBondContact O-N 2.89Å; E52-D54 VanDerWaalsContact C-N 3.27Å; E52-D54 PolarHBondContact O-N 3.49Å; E52-R55 PolarHBondContact O-N 2.9Å; E52-R55 VanDerWaalsContact O-N 3.13Å; E52-R55 IonicContact OE1-CZ 3.89Å; E52-R55 IonicContact OE1-NH1 3.66Å; E52-R55 PolarHBondContact OE1-NH1 3.49Å; E52-R55 VanDerWaalsContact OE1-NH1 3.15Å; E52-R55 WeakPolarHBondContact OE2-CD 3.41Å; E52-R55 IonicContact OE2-CZ 3.15Å; E52-R55 IonicContact OE2-NH1 3.3Å; E52-R55 PolarHBondContact OE2-NH1 3.42Å; E52-Q56 HydrophobicContact CG-CG 4.32Å; E52-Q56 VanDerWaalsContact O-CG 3.28Å; E52-Q56 WeakPolarHBondContact O-CG 3.43Å; E52-Q56 PolarHBondContact O-N 3.45Å; E52-Q56 PolarHBondContact OE1-NE2 2.97Å; E52-V157 HydrophobicContact CB-CG1 4.27Å; E52-V157 HydrophobicContact CG-CG1 3.45Å; E52-V157 VanDerWaalsContact CG-CG1 3.45Å; E52-V157 HydrophobicContact CG-CG2 4.34Å; E52-I161 HydrophobicContact CG-CD1 4.43Å
53L98.3Very high96Very high1 Ų164.4 Ų64.41%0.00531%0.306CS..Hα-helixtrans-55.7-43.5172.2-74169.2000111.4L49 L50 Q56 Q57 L81 L88 A153 M156 V157L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.83Å; L50-L53 HydrophobicContact CD2-CD1 4.25Å; L50-L53 WeakPolarHBondContact O-CB 3.5Å; L50-L53 PolarHBondContact O-N 3.34Å; L53-Q56 PolarHBondContact O-N 3.46Å; L53-Q57 WeakPolarHBondContact O-CG 3.37Å; L53-Q57 PolarHBondContact O-N 2.9Å; L53-Q57 PolarHBondContact O-NE2 2.95Å; L53-L81 HydrophobicContact CD2-CB 4.48Å; L53-L81 HydrophobicContact CD2-CD2 3.45Å; L53-L81 VanDerWaalsContact CD2-CD2 3.45Å; L53-L88 HydrophobicContact CD1-CD2 4.41Å; L53-A153 HydrophobicContact CD1-CB 4.04Å; L53-M156 HydrophobicContact CD2-CE 4.22Å; L53-V157 HydrophobicContact CD2-CG2 3.57Å; L53-V157 HydrophobicContact CG-CG2 3.94Å
54D98.1Very high96.5Very high79 Ų7966.3 Ų66.342%0.42231%0.305SS..Hα-helixtrans-68-39.6175.8-72.2-24.1000112.4L50 K51 E52 Q56 Q57 R58L50-D54 PolarHBondContact O-N 2.98Å; L50-D54 VanDerWaalsContact O-N 3.1Å; K51-D54 PolarHBondContact O-N 3.48Å; E52-D54 VanDerWaalsContact C-N 3.27Å; E52-D54 PolarHBondContact O-N 3.49Å; D54-Q56 VanDerWaalsContact C-N 3.35Å; D54-Q56 PolarHBondContact O-N 3.08Å; D54-Q57 PolarHBondContact O-N 2.91Å; D54-Q57 PolarHBondContact OD1-NE2 3.29Å; D54-R58 WeakPolarHBondContact O-CG 3.45Å; D54-R58 PolarHBondContact O-N 3.42Å
55R97.8Very high96.6Very high76 Ų7662.3 Ų62.329%0.28730%0.301SS..Hα-helixtrans-61.2-43.6175-178.6176.8166.8-138.22.9111.2K51 E52 R58 K59 D185K51-R55 PolarHBondContact O-N 3.28Å; E52-R55 PolarHBondContact O-N 2.9Å; E52-R55 VanDerWaalsContact O-N 3.13Å; E52-R55 IonicContact OE1-CZ 3.89Å; E52-R55 IonicContact OE1-NH1 3.66Å; E52-R55 PolarHBondContact OE1-NH1 3.49Å; E52-R55 VanDerWaalsContact OE1-NH1 3.15Å; E52-R55 WeakPolarHBondContact OE2-CD 3.41Å; E52-R55 IonicContact OE2-CZ 3.15Å; E52-R55 IonicContact OE2-NH1 3.3Å; E52-R55 PolarHBondContact OE2-NH1 3.42Å; R55-R58 PolarHBondContact O-N 3.01Å; R55-K59 WeakPolarHBondContact O-CG 3.26Å; R55-K59 PolarHBondContact O-N 3.42Å; R55-D185 IonicContact CZ-OD2 3.86Å; R55-D185 VanDerWaalsContact CZ-OD2 3.3Å; R55-D185 IonicContact NH1-OD2 2.91Å; R55-D185 PolarHBondContact NH1-OD2 3.05Å; R55-D185 IonicContact NH2-OD2 3.91Å; R55-D185 PolarHBondContact NH2-OD2 2.82Å
56Q97.7Very high96.6Very high6 Ų664.3 Ų64.33%0.02831%0.313CS..Hα-helixtrans-66.8-39.4177.6-65.9-59.5-33.700111.9E52 L53 D54 R58 K59 L60 L81 L160E52-Q56 HydrophobicContact CG-CG 4.32Å; E52-Q56 VanDerWaalsContact O-CG 3.28Å; E52-Q56 WeakPolarHBondContact O-CG 3.43Å; E52-Q56 PolarHBondContact O-N 3.45Å; E52-Q56 PolarHBondContact OE1-NE2 2.97Å; L53-Q56 PolarHBondContact O-N 3.46Å; D54-Q56 VanDerWaalsContact C-N 3.35Å; D54-Q56 PolarHBondContact O-N 3.08Å; Q56-R58 VanDerWaalsContact C-N 3.34Å; Q56-R58 PolarHBondContact O-N 2.94Å; Q56-K59 PolarHBondContact O-N 2.99Å; Q56-L60 WeakPolarHBondContact O-CG 3.48Å; Q56-L60 PolarHBondContact O-N 3.22Å; Q56-L81 HydrophobicContact CB-CD1 4.05Å; Q56-L81 HydrophobicContact CB-CD2 4.48Å; Q56-L160 HydrophobicContact CB-CD1 4.03Å; Q56-L160 HydrophobicContact CG-CD1 4.43Å
57Q97.8Very high96.6Very high19 Ų1967.3 Ų67.39%0.08934%0.34CS..Hα-helixtrans-57.5-46.1171.9-74.6173.967.700111.7L53 D54 L60 Q61 I78 L81 K82L53-Q57 WeakPolarHBondContact O-CG 3.37Å; L53-Q57 PolarHBondContact O-N 2.9Å; L53-Q57 PolarHBondContact O-NE2 2.95Å; D54-Q57 PolarHBondContact O-N 2.91Å; D54-Q57 PolarHBondContact OD1-NE2 3.29Å; Q57-L60 PolarHBondContact O-N 3.29Å; Q57-Q61 WeakPolarHBondContact O-CG 3.43Å; Q57-Q61 PolarHBondContact O-N 3.41Å; Q57-I78 HydrophobicContact CG-CG2 4.44Å; Q57-L81 HydrophobicContact CB-CD1 4.48Å; Q57-L81 HydrophobicContact CG-CB 3.63Å; Q57-L81 HydrophobicContact CG-CD1 3.71Å; Q57-L81 HydrophobicContact CG-CG 4.33Å; Q57-K82 VanDerWaalsContact OE1-CE 3.25Å
58R97.3Very high96.5Very high172 Ų17269.1 Ų69.165%0.64937%0.37SS*.Hα-helixtrans-63.5-42.2177.5-67.5175-164176.95.5112D54 R55 Q56 L60 Q61 T62D54-R58 WeakPolarHBondContact O-CG 3.45Å; D54-R58 PolarHBondContact O-N 3.42Å; R55-R58 PolarHBondContact O-N 3.01Å; Q56-R58 VanDerWaalsContact C-N 3.34Å; Q56-R58 PolarHBondContact O-N 2.94Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 2.82Å; R58-Q61 PolarHBondContact O-N 3.37Å; R58-T62 PolarHBondContact O-N 3.4Å
59K96Very high96.4Very high71 Ų7166.8 Ų66.831%0.30936%0.362SS..Hα-helixtrans-59.9-41174.7-74.7-173.4179.3-1780111.7R55 Q56 T62 W63R55-K59 WeakPolarHBondContact O-CG 3.26Å; R55-K59 PolarHBondContact O-N 3.42Å; Q56-K59 PolarHBondContact O-N 2.99Å; K59-T62 PolarHBondContact O-N 2.95Å; K59-T62 PolarHBondContact O-OG1 3.45Å; K59-W63 VanDerWaalsContact O-CD1 3.26Å
60L96.5Very high96.4Very high21 Ų2171.2 Ų71.211%0.1139%0.385CS..Hα-helixtrans-67.4-38177.1-74.2172.4000112.1Q56 Q57 R58 T62 W63 I74 L77 I78 L81 L160Q56-L60 WeakPolarHBondContact O-CG 3.48Å; Q56-L60 PolarHBondContact O-N 3.22Å; Q57-L60 PolarHBondContact O-N 3.29Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 2.82Å; L60-T62 PolarHBondContact O-N 3.07Å; L60-W63 PolarHBondContact O-N 3.02Å; L60-W63 VanDerWaalsContact O-N 3.14Å; L60-I74 HydrophobicContact CB-CG2 4.27Å; L60-L77 HydrophobicContact CD1-CB 3.77Å; L60-L77 HydrophobicContact CD2-CD1 4.36Å; L60-I78 HydrophobicContact CB-CD1 4.06Å; L60-I78 HydrophobicContact CB-CG1 3.84Å; L60-I78 HydrophobicContact CD1-CG1 4.04Å; L60-L81 HydrophobicContact CD1-CD1 3.61Å; L60-L160 HydrophobicContact CD1-CD1 4.3Å; L60-L160 HydrophobicContact CD1-CD2 4.48Å
61Q96.2Very high96.2Very high97 Ų9773.8 Ų73.845%0.45340%0.396SS..Hα-helixtrans-61.2-29.7177.7-74.8173.2-1800113.4Q57 R58 W63 I64 I78Q57-Q61 WeakPolarHBondContact O-CG 3.43Å; Q57-Q61 PolarHBondContact O-N 3.41Å; R58-Q61 PolarHBondContact O-N 3.37Å; Q61-W63 PolarHBondContact O-N 2.93Å; Q61-I64 HydrophobicContact CB-CD1 4.44Å; Q61-I64 HydrophobicContact CG-CD1 4.35Å; Q61-I64 WeakPolarHBondContact O-CB 3.25Å; Q61-I64 PolarHBondContact O-N 3.31Å; Q61-I78 HydrophobicContact CG-CD1 3.78Å
62T95.8Very high96.1Very high105 Ų10572 Ų7264%0.64440%0.399SS*.THydrogen-bonded Turntrans-68.9-15.4178.665.40000113.7R58 K59 L60R58-T62 PolarHBondContact O-N 3.4Å; K59-T62 PolarHBondContact O-N 2.95Å; K59-T62 PolarHBondContact O-OG1 3.45Å; L60-T62 PolarHBondContact O-N 3.07Å
63W95.1Very high96Very high140 Ų14078 Ų7853%0.5342%0.421SS..THydrogen-bonded Turntrans-89.6-9.2177.7-70.699.3000113.3K59 L60 Q61 G65 V66 V69 I74K59-W63 VanDerWaalsContact O-CD1 3.26Å; L60-W63 PolarHBondContact O-N 3.02Å; L60-W63 VanDerWaalsContact O-N 3.14Å; Q61-W63 PolarHBondContact O-N 2.93Å; W63-G65 PolarHBondContact O-N 2.91Å; W63-V66 HydrophobicContact CE3-CB 4.36Å; W63-V66 HydrophobicContact CE3-CG1 4.27Å; W63-V66 HydrophobicContact CE3-CG2 4.25Å; W63-V66 HydrophobicContact CZ3-CG1 4.42Å; W63-V66 WeakPolarHBondContact O-CB 3.22Å; W63-V66 PolarHBondContact O-N 3.43Å; W63-V69 HydrophobicContact CB-CG1 4.39Å; W63-V69 HydrophobicContact CE3-CG2 3.93Å; W63-I74 HydrophobicContact CB-CD1 3.47Å; W63-I74 VanDerWaalsContact CB-CD1 3.47Å
64I92.8Very high96Very high83 Ų8378.6 Ų78.643%0.42642%0.424SS..THydrogen-bonded Turntrans-64.8130.8175.9-60.9174000108.8Q61 V66 I74 I78Q61-I64 HydrophobicContact CB-CD1 4.44Å; Q61-I64 HydrophobicContact CG-CD1 4.35Å; Q61-I64 WeakPolarHBondContact O-CB 3.25Å; Q61-I64 PolarHBondContact O-N 3.31Å; I64-V66 VanDerWaalsContact C-N 3.31Å; I64-V66 PolarHBondContact O-N 2.87Å; I64-I74 HydrophobicContact CG1-CG2 4.04Å; I64-I78 HydrophobicContact CD1-CD1 4.5Å
65G91.2Very high95.9Very high53 Ų5380.1 Ų80.155%0.54643%0.429SS..THydrogen-bonded Turntrans83.9-6.2-17800000115.5W63 P67W63-G65 PolarHBondContact O-N 2.91Å; G65-P67 WeakPolarHBondContact O-CD 3.33Å
66V95.6Very high95.9Very high55 Ų5578.3 Ų78.333%0.33343%0.43SS..  trans-71.9126.5174.61790000109.7W63 I64 G68 V69W63-V66 HydrophobicContact CE3-CB 4.36Å; W63-V66 HydrophobicContact CE3-CG1 4.27Å; W63-V66 HydrophobicContact CE3-CG2 4.25Å; W63-V66 HydrophobicContact CZ3-CG1 4.42Å; W63-V66 WeakPolarHBondContact O-CB 3.22Å; W63-V66 PolarHBondContact O-N 3.43Å; I64-V66 VanDerWaalsContact C-N 3.31Å; I64-V66 PolarHBondContact O-N 2.87Å; V66-G68 PolarHBondContact O-N 2.9Å; V66-V69 HydrophobicContact CB-CG2 3.78Å; V66-V69 HydrophobicContact CG1-CG2 3.88Å; V66-V69 WeakPolarHBondContact O-CB 3.37Å; V66-V69 PolarHBondContact O-N 3.26Å
67P96.2Very high95.9Very high125 Ų12579.5 Ų79.581%0.81244%0.436SS*.THydrogen-bonded Turntrans-57.7136.5178.5-26.235.2000112.8G65 V69G65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-V69 VanDerWaalsContact C-N 3.33Å
68G95.5Very high95.9Very high91 Ų9179.1 Ų79.194%0.93844%0.435SS*.THydrogen-bonded Turntrans85.6-2.9179.500000115.2V66V66-G68 PolarHBondContact O-N 2.9Å
69V95.5Very high95.9Very high43 Ų4376.4 Ų76.426%0.26143%0.43SS..  trans-87.3136177.4175.60000111.3W63 V66 P67 Q71 I74W63-V69 HydrophobicContact CB-CG1 4.39Å; W63-V69 HydrophobicContact CE3-CG2 3.93Å; V66-V69 HydrophobicContact CB-CG2 3.78Å; V66-V69 HydrophobicContact CG1-CG2 3.88Å; V66-V69 WeakPolarHBondContact O-CB 3.37Å; V66-V69 PolarHBondContact O-N 3.26Å; P67-V69 VanDerWaalsContact C-N 3.33Å; V69-Q71 PolarHBondContact O-N 3.27Å; V69-Q71 VanDerWaalsContact O-N 3.12Å; V69-I74 HydrophobicContact CG1-CD1 3.22Å; V69-I74 HydrophobicContact CG1-CG1 4.2Å
70D96.2Very high96Very high93 Ų9377 Ų7750%0.49743%0.433SS..  trans-75.296.4170.4-176.5-11.4000110.4S72 R73 I74D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 PolarHBondContact O-N 3.38Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 3.09Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-R73 HydrophobicContact CB-CB 4.12Å; D70-R73 PolarHBondContact O-N 3.23Å; D70-R73 PolarHBondContact OD1-N 3.29Å; D70-R73 VanDerWaalsContact OD1-N 3.1Å; D70-I74 PolarHBondContact O-N 2.87Å
71Q94.7Very high96.1Very high88 Ų8876.1 Ų76.141%0.41143%0.429SS..Hα-helixtrans-64.3-35.1-179.9-64.7-175.7-3.300112.4V69 R73 I74 E75V69-Q71 PolarHBondContact O-N 3.27Å; V69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-R73 VanDerWaalsContact C-N 3.28Å; Q71-R73 PolarHBondContact O-N 2.89Å; Q71-I74 PolarHBondContact O-N 3.36Å; Q71-E75 WeakPolarHBondContact O-CG 3.27Å; Q71-E75 PolarHBondContact O-N 3.5Å
72S96.1Very high96.2Very high81 Ų8176 Ų7657%0.56643%0.427SS*.Hα-helixtrans-64.1-37.8-179.275.70000111.2D70 A76D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 PolarHBondContact O-N 3.38Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 3.09Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 3.48Å
73R96.4Very high96.3Very high139 Ų13973.6 Ų73.653%0.52542%0.418SS..Hα-helixtrans-68.6-40.3175.4-174.459.7-178.61803.4112.2D70 Q71 A76 L77D70-R73 HydrophobicContact CB-CB 4.12Å; D70-R73 PolarHBondContact O-N 3.23Å; D70-R73 PolarHBondContact OD1-N 3.29Å; D70-R73 VanDerWaalsContact OD1-N 3.1Å; Q71-R73 VanDerWaalsContact C-N 3.28Å; Q71-R73 PolarHBondContact O-N 2.89Å; R73-A76 PolarHBondContact O-N 3.43Å; R73-L77 HydrophobicContact CG-CD1 4.35Å; R73-L77 WeakPolarHBondContact O-CG 3.34Å; R73-L77 PolarHBondContact O-N 2.94Å
74I96.6Very high96.4Very high13 Ų1367 Ų677%0.06739%0.393CS..Hα-helixtrans-61.2-48.4176-74.1179.9000111L60 W63 I64 V69 D70 Q71 A76 L77 I78L60-I74 HydrophobicContact CB-CG2 4.27Å; W63-I74 HydrophobicContact CB-CD1 3.47Å; W63-I74 VanDerWaalsContact CB-CD1 3.47Å; I64-I74 HydrophobicContact CG1-CG2 4.04Å; V69-I74 HydrophobicContact CG1-CD1 3.22Å; V69-I74 HydrophobicContact CG1-CG1 4.2Å; D70-I74 PolarHBondContact O-N 2.87Å; Q71-I74 PolarHBondContact O-N 3.36Å; I74-A76 VanDerWaalsContact C-N 3.31Å; I74-A76 PolarHBondContact O-N 3.08Å; I74-L77 PolarHBondContact O-N 2.72Å; I74-I78 HydrophobicContact CG2-CD1 3.75Å; I74-I78 HydrophobicContact CG2-CG1 4.43Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 2.99Å
75E96.4Very high96.7Very high111 Ų11163.4 Ų63.452%0.51938%0.376SS..Hα-helixtrans-60.6-43.2179.3-72176.1174.100111.2Q71 L77 I78 Q79Q71-E75 WeakPolarHBondContact O-CG 3.27Å; Q71-E75 PolarHBondContact O-N 3.5Å; E75-L77 PolarHBondContact O-N 3.38Å; E75-I78 PolarHBondContact O-N 3.47Å; E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.19Å
76A97.4Very high97Very high38 Ų3864.3 Ų64.331%0.31437%0.374SS..Hα-helixtrans-59.5-45.2175.200000112.2S72 R73 I74 Q79 Q80S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 3.48Å; R73-A76 PolarHBondContact O-N 3.43Å; I74-A76 VanDerWaalsContact C-N 3.31Å; I74-A76 PolarHBondContact O-N 3.08Å; A76-Q79 PolarHBondContact O-N 2.95Å; A76-Q80 VanDerWaalsContact O-CG 3.29Å; A76-Q80 WeakPolarHBondContact O-CG 3.5Å; A76-Q80 PolarHBondContact O-N 3.05Å
77L97.6Very high97.1Very high31 Ų3164.8 Ų64.816%0.16238%0.377CS..Hα-helixtrans-63.6-42.3177.2-73.1170.8000112L60 R73 I74 E75 Q79 Q80 L81 L160L60-L77 HydrophobicContact CD1-CB 3.77Å; L60-L77 HydrophobicContact CD2-CD1 4.36Å; R73-L77 HydrophobicContact CG-CD1 4.35Å; R73-L77 WeakPolarHBondContact O-CG 3.34Å; R73-L77 PolarHBondContact O-N 2.94Å; I74-L77 PolarHBondContact O-N 2.72Å; E75-L77 PolarHBondContact O-N 3.38Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 2.73Å; L77-Q80 PolarHBondContact O-N 2.71Å; L77-L81 VanDerWaalsContact O-CG 3.32Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 2.77Å; L77-L160 HydrophobicContact CD1-CD2 4.2Å
78I97.8Very high97.2Very high11 Ų1158.9 Ų58.96%0.05634%0.338CS..Hα-helixtrans-60.8-42.5176.1-69.8168.6000110.6Q57 L60 Q61 I64 I74 E75 L81 K82Q57-I78 HydrophobicContact CG-CG2 4.44Å; L60-I78 HydrophobicContact CB-CD1 4.06Å; L60-I78 HydrophobicContact CB-CG1 3.84Å; L60-I78 HydrophobicContact CD1-CG1 4.04Å; Q61-I78 HydrophobicContact CG-CD1 3.78Å; I64-I78 HydrophobicContact CD1-CD1 4.5Å; I74-I78 HydrophobicContact CG2-CD1 3.75Å; I74-I78 HydrophobicContact CG2-CG1 4.43Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 2.99Å; E75-I78 PolarHBondContact O-N 3.47Å; I78-L81 PolarHBondContact O-N 3Å; I78-K82 HydrophobicContact CG2-CD 4.42Å; I78-K82 WeakPolarHBondContact O-CG 3.49Å; I78-K82 PolarHBondContact O-N 2.88Å
79Q98Very high97.3Very high116 Ų11659.6 Ų59.654%0.54232%0.32SS..Hα-helixtrans-66.4-39177-66.5-58.7-22.200112.2E75 A76 L77 K82 A83E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.19Å; A76-Q79 PolarHBondContact O-N 2.95Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 2.73Å; Q79-K82 PolarHBondContact O-N 2.73Å; Q79-A83 WeakPolarHBondContact O-CB 3.33Å; Q79-A83 PolarHBondContact O-N 2.65Å
80Q98Very high97.4Very high83 Ų8362.2 Ų62.239%0.38834%0.34SS..Hα-helixtrans-61.6-43.8174.5-72.2171.611.500111.7A76 L77 K82 A83 A84 M156A76-Q80 VanDerWaalsContact O-CG 3.29Å; A76-Q80 WeakPolarHBondContact O-CG 3.5Å; A76-Q80 PolarHBondContact O-N 3.05Å; L77-Q80 PolarHBondContact O-N 2.71Å; Q80-K82 PolarHBondContact O-N 3.08Å; Q80-A83 PolarHBondContact O-N 3.03Å; Q80-A84 PolarHBondContact O-N 2.76Å; Q80-M156 HydrophobicContact CB-SD 3.96Å
81L98.3Very high97.4Very high2 Ų258.4 Ų58.41%0.0132%0.321CS..Hα-helixtrans-60.8-44.4175.8-69.4168.3000112L53 Q56 Q57 L60 L77 I78 G85 M156 L160L53-L81 HydrophobicContact CD2-CB 4.48Å; L53-L81 HydrophobicContact CD2-CD2 3.45Å; L53-L81 VanDerWaalsContact CD2-CD2 3.45Å; Q56-L81 HydrophobicContact CB-CD1 4.05Å; Q56-L81 HydrophobicContact CB-CD2 4.48Å; Q57-L81 HydrophobicContact CB-CD1 4.48Å; Q57-L81 HydrophobicContact CG-CB 3.63Å; Q57-L81 HydrophobicContact CG-CD1 3.71Å; Q57-L81 HydrophobicContact CG-CG 4.33Å; L60-L81 HydrophobicContact CD1-CD1 3.61Å; L77-L81 VanDerWaalsContact O-CG 3.32Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 2.77Å; I78-L81 PolarHBondContact O-N 3Å; L81-G85 PolarHBondContact O-N 3.23Å; L81-M156 HydrophobicContact CD2-CB 4.48Å; L81-M156 HydrophobicContact CD2-CE 4.05Å; L81-L160 HydrophobicContact CD1-CD1 3.8Å; L81-L160 HydrophobicContact CD2-CD1 3.77Å; L81-L160 HydrophobicContact CG-CD1 4.18Å
82K98.2Very high97.4Very high96 Ų9659.4 Ų59.442%0.41734%0.336SS..Hα-helixtrans-62.1-45.4175.8-73.6178.4178.8178.90112.2Q57 I78 Q79 Q80 G85 S86Q57-K82 VanDerWaalsContact OE1-CE 3.25Å; I78-K82 HydrophobicContact CG2-CD 4.42Å; I78-K82 WeakPolarHBondContact O-CG 3.49Å; I78-K82 PolarHBondContact O-N 2.88Å; Q79-K82 PolarHBondContact O-N 2.73Å; Q80-K82 PolarHBondContact O-N 3.08Å; K82-G85 PolarHBondContact O-N 3.19Å; K82-S86 PolarHBondContact O-N 3.18Å
83A98.2Very high97.4Very high54 Ų5463.2 Ų63.245%0.44634%0.338SS..Hα-helixtrans-61.5-48.1179.300000111.1Q79 Q80 G85 S86 V87Q79-A83 WeakPolarHBondContact O-CB 3.33Å; Q79-A83 PolarHBondContact O-N 2.65Å; Q80-A83 PolarHBondContact O-N 3.03Å; A83-G85 VanDerWaalsContact C-N 3.32Å; A83-G85 PolarHBondContact O-N 2.76Å; A83-S86 PolarHBondContact O-N 3.06Å; A83-V87 WeakPolarHBondContact O-CG2 3.27Å; A83-V87 PolarHBondContact O-N 3.4Å
84A98.1Very high97.4Very high1 Ų157.8 Ų57.81%0.00832%0.319CS..Hα-helixtrans-64.2-37.4176.600000112.4Q80 V87 L88 Q152 A153 M156Q80-A84 PolarHBondContact O-N 2.76Å; A84-V87 PolarHBondContact O-N 2.64Å; A84-L88 VanDerWaalsContact O-CB 3.22Å; A84-L88 WeakPolarHBondContact O-CB 3.18Å; A84-L88 PolarHBondContact O-N 3.38Å; A84-Q152 HydrophobicContact CB-CG 4.39Å; A84-A153 HydrophobicContact CB-CB 4.42Å; A84-M156 HydrophobicContact CB-CE 3.16Å; A84-M156 HydrophobicContact CB-SD 4.44Å
85G98.2Very high97.4Very high8 Ų857.4 Ų57.48%0.08232%0.318CS..Hα-helixtrans-58.9-47.4172.700000112.1L81 K82 A83 L88 I89L81-G85 PolarHBondContact O-N 3.23Å; K82-G85 PolarHBondContact O-N 3.19Å; A83-G85 VanDerWaalsContact C-N 3.32Å; A83-G85 PolarHBondContact O-N 2.76Å; G85-L88 PolarHBondContact O-N 3Å; G85-I89 VanDerWaalsContact O-CG1 3.25Å; G85-I89 WeakPolarHBondContact O-CG1 3.17Å; G85-I89 PolarHBondContact O-N 3.28Å
86S98.2Very high97.4Very high71 Ų7154.6 Ų54.650%0.49731%0.305SS..Hα-helixtrans-61.1-46.3176.4-1710000112K82 A83 L88 I89 S90K82-S86 PolarHBondContact O-N 3.18Å; A83-S86 PolarHBondContact O-N 3.06Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 3.17Å; S86-I89 PolarHBondContact O-N 3.26Å; S86-S90 PolarHBondContact O-N 3.04Å; S86-S90 VanDerWaalsContact O-N 3.07Å; S86-S90 PolarHBondContact O-OG 3.37Å
87V98.2Very high97.5Very high66 Ų6657.3 Ų57.340%0.431%0.309SS..Hα-helixtrans-60.7-43.5177.5170.80000110.8A83 A84 S90 A91 P149A83-V87 WeakPolarHBondContact O-CG2 3.27Å; A83-V87 PolarHBondContact O-N 3.4Å; A84-V87 PolarHBondContact O-N 2.64Å; V87-S90 PolarHBondContact O-N 3.38Å; V87-A91 WeakPolarHBondContact O-CB 3.32Å; V87-A91 PolarHBondContact O-N 3.21Å; V87-P149 HydrophobicContact CG1-CB 3.94Å; V87-P149 HydrophobicContact CG1-CG 4.06Å
88L97.9Very high97.5Very high0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-68.7-35.4-179.5-177.662000113R46 L49 L50 L53 A84 G85 S86 I94 P149 A153R46-L88 HydrophobicContact CG-CD1 4.44Å; R46-L88 HydrophobicContact CG-CG 4.15Å; R46-L88 PolarHBondContact NE-O 2.83Å; L49-L88 HydrophobicContact CB-CD2 4.21Å; L49-L88 HydrophobicContact CD2-CD2 3.86Å; L49-L88 HydrophobicContact CG-CD2 4.07Å; L50-L88 HydrophobicContact CD2-CB 4.22Å; L50-L88 HydrophobicContact CD2-CD2 3.92Å; L50-L88 HydrophobicContact CD2-CG 4.21Å; L50-L88 HydrophobicContact CG-CD2 4.03Å; L50-L88 HydrophobicContact CG-CG 4.47Å; L53-L88 HydrophobicContact CD1-CD2 4.41Å; A84-L88 VanDerWaalsContact O-CB 3.22Å; A84-L88 WeakPolarHBondContact O-CB 3.18Å; A84-L88 PolarHBondContact O-N 3.38Å; G85-L88 PolarHBondContact O-N 3Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 3.17Å; L88-I94 HydrophobicContact CD1-CD1 4.35Å; L88-P149 HydrophobicContact CD1-CB 4.36Å; L88-A153 HydrophobicContact CD2-CB 3.92Å
89I97.3Very high97.5Very high107 Ų10757.9 Ų57.955%0.54931%0.309SS..Hα-helixtrans-64.4-47.2174-72.7164.5000110.5L50 G85 S86 A91L50-I89 HydrophobicContact CD1-CD1 4.45Å; L50-I89 HydrophobicContact CD1-CG1 3.63Å; L50-I89 HydrophobicContact CD2-CD1 4.11Å; L50-I89 HydrophobicContact CD2-CG1 3.66Å; L50-I89 HydrophobicContact CG-CG1 4.33Å; G85-I89 VanDerWaalsContact O-CG1 3.25Å; G85-I89 WeakPolarHBondContact O-CG1 3.17Å; G85-I89 PolarHBondContact O-N 3.28Å; S86-I89 PolarHBondContact O-N 3.26Å; I89-A91 VanDerWaalsContact C-N 3.28Å; I89-A91 PolarHBondContact O-N 2.79Å
90S96.8Very high97.5Very high97 Ų9758.9 Ų58.968%0.67831%0.313SS*.Hα-helixtrans-75.2-15.3-177.7-60.10000113.7S86 V87S86-S90 PolarHBondContact O-N 3.04Å; S86-S90 VanDerWaalsContact O-N 3.07Å; S86-S90 PolarHBondContact O-OG 3.37Å; V87-S90 PolarHBondContact O-N 3.38Å
91A96.3Very high97.5Very high13 Ų1356.6 Ų56.611%0.10730%0.304CS..SBendtrans-66144.3-178.200000112.6R46 V87 I89 P149R46-A91 PolarHBondContact NH1-O 3.43Å; R46-A91 PolarHBondContact NH2-O 3.47Å; V87-A91 WeakPolarHBondContact O-CB 3.32Å; V87-A91 PolarHBondContact O-N 3.21Å; I89-A91 VanDerWaalsContact C-N 3.28Å; I89-A91 PolarHBondContact O-N 2.79Å; A91-P149 HydrophobicContact CB-CB 3.73Å; A91-P149 HydrophobicContact CB-CG 3.84Å
92P94.9Very high97.5Very high110 Ų11065.5 Ų65.571%0.71434%0.337SS*.  trans-55.4160.4167.4-21.432.3000111.5R46 I94R46-P92 PolarHBondContact NH2-O 3.28Å; P92-I94 PolarHBondContact O-N 3.23Å
93R95.7Very high97.5Very high161 Ų16161.7 Ų61.761%0.60832%0.322SS*.SBendtrans-45.6130.7-179.9177.2-179.7-175.8-177.82.9110.5G95 Q96R93-G95 PolarHBondContact O-N 3.43Å; R93-Q96 HydrophobicContact CB-CB 4.06Å; R93-Q96 WeakPolarHBondContact O-CB 3.48Å; R93-Q96 PolarHBondContact O-N 3.01Å
94I96.7Very high97.5Very high25 Ų2559.2 Ų59.213%0.12830%0.301CS..THydrogen-bonded Turntrans-56.5125.9-173.7-62.1178000110F40 V45 R46 L88 P92 Q96 L150F40-I94 HydrophobicContact CD1-CG2 3.97Å; F40-I94 HydrophobicContact CD2-CG2 3.73Å; F40-I94 HydrophobicContact CE1-CG2 3.82Å; F40-I94 HydrophobicContact CE2-CG2 3.57Å; F40-I94 HydrophobicContact CG-CG2 3.94Å; F40-I94 HydrophobicContact CZ-CG2 3.62Å; V45-I94 HydrophobicContact CB-CD1 4.33Å; V45-I94 HydrophobicContact CG1-CD1 4.33Å; R46-I94 HydrophobicContact CB-CD1 3.75Å; L88-I94 HydrophobicContact CD1-CD1 4.35Å; P92-I94 PolarHBondContact O-N 3.23Å; I94-Q96 PolarHBondContact O-N 3.18Å; I94-L150 HydrophobicContact CD1-CD1 4.27Å; I94-L150 HydrophobicContact CG2-CD2 3.79Å
95G97.2Very high97.5Very high4 Ų461 Ų614%0.04132%0.315CS..THydrogen-bonded Turntrans743.9-178.900000115.2R93 F97 L98 R99R93-G95 PolarHBondContact O-N 3.43Å; G95-F97 VanDerWaalsContact C-N 3.34Å; G95-F97 PolarHBondContact O-N 3.17Å; G95-L98 PolarHBondContact O-N 3.15Å; G95-R99 WeakPolarHBondContact O-CG 3.43Å; G95-R99 PolarHBondContact O-N 3.15Å
96Q96.8Very high97.5Very high53 Ų5363 Ų6325%0.24832%0.324CS..Hα-helixtrans-58.6-45.6-179.3-173.665.720.700112R93 I94 L98 R99 E100R93-Q96 HydrophobicContact CB-CB 4.06Å; R93-Q96 WeakPolarHBondContact O-CB 3.48Å; R93-Q96 PolarHBondContact O-N 3.01Å; I94-Q96 PolarHBondContact O-N 3.18Å; Q96-L98 VanDerWaalsContact C-N 3.26Å; Q96-L98 PolarHBondContact O-N 2.74Å; Q96-R99 WeakPolarHBondContact O-CB 3.44Å; Q96-R99 PolarHBondContact O-N 3.35Å; Q96-E100 HydrophobicContact CG-CG 4.46Å; Q96-E100 PolarHBondContact NE2-OE1 3.37Å; Q96-E100 WeakPolarHBondContact O-CG 3.47Å; Q96-E100 PolarHBondContact O-N 3.15Å
97F98.3Very high97.5Very high94 Ų9459.7 Ų59.741%0.41230%0.3SS..Hα-helixtrans-55.3-42176.9-177.5-105.6000112.3G95 D101 T142 W143 S146G95-F97 VanDerWaalsContact C-N 3.34Å; G95-F97 PolarHBondContact O-N 3.17Å; F97-D101 PolarHBondContact O-N 3.06Å; F97-T142 HydrophobicContact CE1-CG2 3.73Å; F97-T142 HydrophobicContact CZ-CG2 3.53Å; F97-W143 AromaticContact CE1-CD1 3.68Å; F97-S146 VanDerWaalsContact CD1-CB 3.48Å
98L98.5Very high97.4Very high1 Ų159 Ų591%0.00529%0.291CS..Hα-helixtrans-72.3-30.8177.9-56.7-179.7000112.9V33 L37 G95 Q96 I104 W143 L147V33-L98 HydrophobicContact CG1-CB 4.42Å; V33-L98 HydrophobicContact CG1-CD1 4.14Å; L37-L98 HydrophobicContact CD1-CB 4.27Å; L37-L98 HydrophobicContact CD2-CB 4.18Å; G95-L98 PolarHBondContact O-N 3.15Å; Q96-L98 VanDerWaalsContact C-N 3.26Å; Q96-L98 PolarHBondContact O-N 2.74Å; L98-I104 HydrophobicContact CB-CD1 4.07Å; L98-I104 HydrophobicContact CD2-CD1 3.77Å; L98-I104 WeakPolarHBondContact O-CG2 3.41Å; L98-W143 HydrophobicContact CD2-CB 3.56Å; L98-W143 HydrophobicContact CD2-CG 3.86Å; L98-L147 HydrophobicContact CD1-CD1 4Å; L98-L147 HydrophobicContact CD1-CD2 3.85Å; L98-L147 HydrophobicContact CD1-CG 4.02Å
99R97.3Very high97.4Very high54 Ų5465.6 Ų65.620%0.20432%0.321CS..Hα-helixtrans-70.7-34.8176.4-70.7170.1-171.4-76.9-13.4112.4L37 E41 G95 Q96 D101L37-R99 HydrophobicContact CD1-CG 4.1Å; L37-R99 HydrophobicContact CD2-CG 3.78Å; L37-R99 PolarHBondContact O-NH2 2.94Å; E41-R99 VanDerWaalsContact CG-NH1 3.25Å; E41-R99 VanDerWaalsContact CG-NH2 3.29Å; E41-R99 IonicContact OE1-CZ 2.74Å; E41-R99 IonicContact OE1-NH1 3.82Å; E41-R99 PolarHBondContact OE1-NH1 2.91Å; E41-R99 IonicContact OE1-NH2 2.71Å; G95-R99 WeakPolarHBondContact O-CG 3.43Å; G95-R99 PolarHBondContact O-N 3.15Å; Q96-R99 WeakPolarHBondContact O-CB 3.44Å; Q96-R99 PolarHBondContact O-N 3.35Å; R99-D101 VanDerWaalsContact C-N 3.29Å
100E97.9Very high97.4Very high136 Ų13665.1 Ų65.164%0.63631%0.313SS*.Hα-helixtrans-80.9-13.8-179.4-69.2174.3170.800112.2Q96 R102Q96-E100 HydrophobicContact CG-CG 4.46Å; Q96-E100 PolarHBondContact NE2-OE1 3.37Å; Q96-E100 WeakPolarHBondContact O-CG 3.47Å; Q96-E100 PolarHBondContact O-N 3.15Å; E100-R102 PolarHBondContact O-N 2.93Å
101D98.6Very high97.4Very high35 Ų3561.8 Ų61.819%0.18729%0.287CS..  trans-70.2122.3176.5-171.5-78.3000111.8F97 R99 L103 I104 A105 W143F97-D101 PolarHBondContact O-N 3.06Å; R99-D101 VanDerWaalsContact C-N 3.29Å; D101-L103 PolarHBondContact O-N 3.5Å; D101-L103 WeakPolarHBondContact OD1-CA 3.4Å; D101-L103 WeakPolarHBondContact OD1-CB 3.19Å; D101-L103 PolarHBondContact OD1-N 3.38Å; D101-I104 HydrophobicContact CB-CB 4.07Å; D101-I104 HydrophobicContact CB-CD1 3.8Å; D101-I104 HydrophobicContact CB-CG1 4.08Å; D101-I104 PolarHBondContact O-N 2.82Å; D101-I104 PolarHBondContact OD1-N 2.84Å; D101-A105 WeakPolarHBondContact O-CB 3.3Å; D101-A105 PolarHBondContact O-N 3.29Å; D101-W143 VanDerWaalsContact CG-NE1 3.34Å; D101-W143 PolarHBondContact OD2-NE1 2.96Å
102R97.7Very high97.3Very high190 Ų19066.1 Ų66.172%0.71732%0.316SS*.Hα-helixtrans-65.1-38.1-176.4178.6178.2163.1177.7-4.5112.8E100 L106E100-R102 PolarHBondContact O-N 2.93Å; R102-L106 HydrophobicContact CG-CD1 4.21Å; R102-L106 VanDerWaalsContact O-CG 3.31Å; R102-L106 WeakPolarHBondContact O-CG 3.17Å; R102-L106 PolarHBondContact O-N 3.14Å; R102-L106 VanDerWaalsContact O-N 3.08Å
103L98.3Very high97.4Very high16 Ų1664.5 Ų64.58%0.08430%0.301CS..Hα-helixtrans-70.6-46-178.8179.862.7000109.8F30 D101 A105 L106 V107 T124 L125 W128 W143F30-L103 HydrophobicContact CE1-CD2 4.42Å; F30-L103 HydrophobicContact CE1-CG 4.39Å; F30-L103 HydrophobicContact CE2-CD2 4.47Å; F30-L103 HydrophobicContact CZ-CD2 3.72Å; F30-L103 HydrophobicContact CZ-CG 4.02Å; D101-L103 PolarHBondContact O-N 3.5Å; D101-L103 WeakPolarHBondContact OD1-CA 3.4Å; D101-L103 WeakPolarHBondContact OD1-CB 3.19Å; D101-L103 PolarHBondContact OD1-N 3.38Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 3.08Å; L103-L106 PolarHBondContact O-N 3.19Å; L103-V107 HydrophobicContact CD1-CG2 4.28Å; L103-V107 WeakPolarHBondContact O-CG2 3.17Å; L103-V107 PolarHBondContact O-N 3.06Å; L103-T124 HydrophobicContact CD1-CG2 4.06Å; L103-L125 HydrophobicContact CD1-CB 4.28Å; L103-L125 HydrophobicContact CD1-CD1 4.41Å; L103-W128 HydrophobicContact CD2-CB 4.11Å; L103-W128 HydrophobicContact CD2-CD2 3.64Å; L103-W128 HydrophobicContact CD2-CE3 4.28Å; L103-W128 HydrophobicContact CD2-CG 3.53Å; L103-W143 HydrophobicContact CD2-CH2 3.96Å; L103-W143 HydrophobicContact CD2-CZ2 4.49Å
104I98.6Very high97.5Very high2 Ų263 Ų631%0.0131%0.312CS..Hα-helixtrans-56.4-47.5175.1-67.1170.9000110F30 V33 L37 L98 D101 L106 V107 R108 W143F30-I104 HydrophobicContact CD1-CG1 3.91Å; F30-I104 HydrophobicContact CE1-CG1 3.71Å; V33-I104 HydrophobicContact CG1-CD1 4.15Å; V33-I104 HydrophobicContact CG1-CG2 3.81Å; L37-I104 HydrophobicContact CD1-CG2 4.24Å; L98-I104 HydrophobicContact CB-CD1 4.07Å; L98-I104 HydrophobicContact CD2-CD1 3.77Å; L98-I104 WeakPolarHBondContact O-CG2 3.41Å; D101-I104 HydrophobicContact CB-CB 4.07Å; D101-I104 HydrophobicContact CB-CD1 3.8Å; D101-I104 HydrophobicContact CB-CG1 4.08Å; D101-I104 PolarHBondContact O-N 2.82Å; D101-I104 PolarHBondContact OD1-N 2.84Å; I104-L106 PolarHBondContact O-N 3.43Å; I104-V107 PolarHBondContact O-N 3.1Å; I104-R108 HydrophobicContact CG2-CG 4.16Å; I104-R108 WeakPolarHBondContact O-CB 3.41Å; I104-R108 VanDerWaalsContact O-CG 3.25Å; I104-R108 WeakPolarHBondContact O-CG 3.48Å; I104-R108 PolarHBondContact O-N 3.24Å; I104-W143 HydrophobicContact CD1-CD2 4.08Å; I104-W143 HydrophobicContact CD1-CG 4.07Å
105A97.9Very high97.4Very high37 Ų3764.5 Ų64.531%0.30633%0.334SS..Hα-helixtrans-58.4-44.6178.600000112.8D101 L103 R108 Q109D101-A105 WeakPolarHBondContact O-CB 3.3Å; D101-A105 PolarHBondContact O-N 3.29Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 3.08Å; A105-R108 PolarHBondContact O-N 3.36Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 3.47Å
106L97.5Very high97.4Very high52 Ų5264.5 Ų64.527%0.27233%0.334SS..Hα-helixtrans-64.1-44.4178.6-75.1170.6000112.5R102 L103 I104 T124R102-L106 HydrophobicContact CG-CD1 4.21Å; R102-L106 VanDerWaalsContact O-CG 3.31Å; R102-L106 WeakPolarHBondContact O-CG 3.17Å; R102-L106 PolarHBondContact O-N 3.14Å; R102-L106 VanDerWaalsContact O-N 3.08Å; L103-L106 PolarHBondContact O-N 3.19Å; I104-L106 PolarHBondContact O-N 3.43Å; L106-T124 HydrophobicContact CD1-CG2 4.26Å
107V98.3Very high97.4Very high0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-66-43.9178.5-179.90000110.2F30 L103 I104 Q109 R110 L111 L122 L125F30-V107 HydrophobicContact CB-CB 4.22Å; F30-V107 HydrophobicContact CB-CG1 3.57Å; F30-V107 HydrophobicContact CD2-CB 4.49Å; F30-V107 HydrophobicContact CD2-CG1 4.17Å; F30-V107 HydrophobicContact CD2-CG2 4.09Å; F30-V107 HydrophobicContact CE2-CG2 4.42Å; F30-V107 HydrophobicContact CG-CB 4.21Å; F30-V107 HydrophobicContact CG-CG1 3.96Å; F30-V107 HydrophobicContact CG-CG2 4.24Å; L103-V107 HydrophobicContact CD1-CG2 4.28Å; L103-V107 WeakPolarHBondContact O-CG2 3.17Å; L103-V107 PolarHBondContact O-N 3.06Å; I104-V107 PolarHBondContact O-N 3.1Å; V107-Q109 VanDerWaalsContact C-N 3.31Å; V107-Q109 PolarHBondContact O-N 3.42Å; V107-R110 PolarHBondContact O-N 3.05Å; V107-L111 HydrophobicContact CG1-CD2 4.35Å; V107-L111 HydrophobicContact CG1-CG 4.24Å; V107-L111 PolarHBondContact O-N 2.87Å; V107-L122 HydrophobicContact CG1-CD1 4.37Å; V107-L122 HydrophobicContact CG2-CD1 4.3Å; V107-L125 HydrophobicContact CG2-CB 4.41Å; V107-L125 HydrophobicContact CG2-CD1 4.42Å; V107-L125 HydrophobicContact CG2-CD2 4.09Å
108R97.7Very high97.3Very high53 Ų5360.3 Ų60.320%0.232%0.322CS..Hα-helixtrans-56.7-40.4179.8-77.1-175.771.7-147.23.7113.6S34 D38 E41 I104 A105 R110 L111S34-R108 PolarHBondContact OG-NE 3Å; S34-R108 VanDerWaalsContact OG-NE 3.15Å; D38-R108 IonicContact OD1-CZ 3.65Å; D38-R108 IonicContact OD1-NH2 2.66Å; D38-R108 PolarHBondContact OD1-NH2 3.25Å; E41-R108 IonicContact OE1-NH2 2.76Å; I104-R108 HydrophobicContact CG2-CG 4.16Å; I104-R108 WeakPolarHBondContact O-CB 3.41Å; I104-R108 VanDerWaalsContact O-CG 3.25Å; I104-R108 WeakPolarHBondContact O-CG 3.48Å; I104-R108 PolarHBondContact O-N 3.24Å; A105-R108 PolarHBondContact O-N 3.36Å; R108-R110 PolarHBondContact O-N 3.36Å; R108-R110 VanDerWaalsContact O-N 3.1Å; R108-L111 HydrophobicContact CG-CD1 4.42Å; R108-L111 PolarHBondContact O-N 3.29Å
109Q97Very high97.1Very high138 Ų13862.7 Ų62.765%0.64534%0.338SS*.Hα-helixtrans-59.8-22.1178.1-73.6174.74.600113.7A105 V107A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 3.47Å; V107-Q109 VanDerWaalsContact C-N 3.31Å; V107-Q109 PolarHBondContact O-N 3.42Å
110R97.6Very high97Very high96 Ų9667.9 Ų67.936%0.36236%0.363SS..Hα-helixtrans-104.8-15-176.8-65.5-61.2-174167.93114.2V107 R108 S112 I113 G116 L122V107-R110 PolarHBondContact O-N 3.05Å; R108-R110 PolarHBondContact O-N 3.36Å; R108-R110 VanDerWaalsContact O-N 3.1Å; R110-S112 PolarHBondContact O-N 2.86Å; R110-I113 PolarHBondContact O-N 3.45Å; R110-G116 VanDerWaalsContact CB-O 3.31Å; R110-G116 WeakPolarHBondContact CB-O 3.33Å; R110-L122 HydrophobicContact CB-CD1 4.45Å; R110-L122 HydrophobicContact CB-CD2 4.3Å; R110-L122 HydrophobicContact CG-CD2 3.74Å; R110-L122 HydrophobicContact CG-CG 4.23Å
111L96.6Very high97Very high28 Ų2863.7 Ų63.715%0.14735%0.345CS..Hα-helixtrans-62.5-26.7-175.6-77.9174.6000114R31 S34 V107 R108 I113R31-L111 HydrophobicContact CB-CD1 4.45Å; R31-L111 HydrophobicContact CB-CD2 4.22Å; S34-L111 VanDerWaalsContact CB-CD1 3.49Å; V107-L111 HydrophobicContact CG1-CD2 4.35Å; V107-L111 HydrophobicContact CG1-CG 4.24Å; V107-L111 PolarHBondContact O-N 2.87Å; R108-L111 HydrophobicContact CG-CD1 4.42Å; R108-L111 PolarHBondContact O-N 3.29Å; L111-I113 VanDerWaalsContact C-N 3.29Å
112S94.4Very high96.9Very high103 Ų10362.4 Ų62.472%0.7234%0.338SS*.THydrogen-bonded Turntrans-77.8-12.8176.558.30000113.7R110R110-S112 PolarHBondContact O-N 2.86Å
113I97.1Very high96.9Very high76 Ų7656.9 Ų56.939%0.3933%0.326SS..SBendtrans-95.6117.3-178.5-56.2174.2000108.6R110 L111 G115 G116R110-I113 PolarHBondContact O-N 3.45Å; L111-I113 VanDerWaalsContact C-N 3.29Å; I113-G115 PolarHBondContact O-N 3.31Å; I113-G116 PolarHBondContact O-N 3.48Å
114P96.8Very high96.9Very high129 Ų12959 Ų5984%0.83834%0.34SS*.THydrogen-bonded Turntrans-56124.3172.8-23.233.8000110.6G116P114-G116 PolarHBondContact O-N 2.88Å
115G95.4Very high96.9Very high57 Ų5758.9 Ų58.959%0.58834%0.34SS*.THydrogen-bonded Turntrans69.52.5-176.100000115.2I113 C117 C118I113-G115 PolarHBondContact O-N 3.31Å; G115-C117 PolarHBondContact O-N 2.89Å; G115-C118 PolarHBondContact O-SG 2.75Å
116G96.3Very high96.9Very high4 Ų460.7 Ų60.74%0.04134%0.341CS..THydrogen-bonded Turntrans-792.1-176.100000115.1R110 I113 P114 D121R110-G116 VanDerWaalsContact CB-O 3.31Å; R110-G116 WeakPolarHBondContact CB-O 3.33Å; I113-G116 PolarHBondContact O-N 3.48Å; P114-G116 PolarHBondContact O-N 2.88Å; G116-D121 WeakPolarHBondContact O-CB 3.3Å
117C97.1Very high96.9Very high15 Ų1563.4 Ų63.410%0.10136%0.355CS..THydrogen-bonded Turntrans-102.622.7176.8-62.90000112.3H23 L27 G115 L122H23-C117 PolarHBondContact CE1-O 2.91Å; H23-C117 VanDerWaalsContact CE1-O 3.29Å; H23-C117 PolarHBondContact NE2-O 2.9Å; L27-C117 HydrophobicContact CD1-CB 4.11Å; L27-C117 HydrophobicContact CD2-CB 3.53Å; L27-C117 HydrophobicContact CG-CB 4.49Å; G115-C117 PolarHBondContact O-N 2.89Å; C117-L122 HydrophobicContact CB-CD1 3.81Å
118C96Very high96.9Very high45 Ų4564 Ų6430%0.30436%0.358SS..SBendtrans-69.1161.4175.9-69.20000111.9G115 F120 D121 L122G115-C118 PolarHBondContact O-SG 2.75Å; C118-F120 HydrophobicContact CB-CD1 3.88Å; C118-F120 HydrophobicContact CB-CD2 4.39Å; C118-F120 HydrophobicContact CB-CE1 3.42Å; C118-F120 VanDerWaalsContact CB-CE1 3.42Å; C118-F120 HydrophobicContact CB-CE2 3.98Å; C118-F120 HydrophobicContact CB-CG 4.34Å; C118-F120 HydrophobicContact CB-CZ 3.48Å; C118-F120 VanDerWaalsContact CB-CZ 3.48Å; C118-F120 PolarHBondContact O-N 2.94Å; C118-D121 PolarHBondContact O-N 2.95Å; C118-L122 PolarHBondContact O-N 2.88Å
119S94.7Very high97Very high51 Ų5162.2 Ų62.236%0.35735%0.352SS..THydrogen-bonded Turntrans-55.8-34.9-179.6-56.40000113.7L122 H126S119-L122 CarbonylContact O-C 3.39Å; S119-H126 WeakPolarHBondContact CB-ND1 3.38Å; S119-H126 PolarHBondContact OG-ND1 3.22Å
120F95.5Very high97Very high163 Ų16362.2 Ų62.272%0.71535%0.351SS*.THydrogen-bonded Turntrans-75.5-21.9178.555.5-100.9000113.4C118C118-F120 HydrophobicContact CB-CD1 3.88Å; C118-F120 HydrophobicContact CB-CD2 4.39Å; C118-F120 HydrophobicContact CB-CE1 3.42Å; C118-F120 VanDerWaalsContact CB-CE1 3.42Å; C118-F120 HydrophobicContact CB-CE2 3.98Å; C118-F120 HydrophobicContact CB-CG 4.34Å; C118-F120 HydrophobicContact CB-CZ 3.48Å; C118-F120 VanDerWaalsContact CB-CZ 3.48Å; C118-F120 PolarHBondContact O-N 2.94Å
121D97.3Very high97.1Very high47 Ų4760.2 Ų60.225%0.25135%0.347SS..THydrogen-bonded Turntrans-88.2-29.3174.9-66.5-55.5000112.4G116 C118 P123G116-D121 WeakPolarHBondContact O-CB 3.3Å; C118-D121 PolarHBondContact O-N 2.95Å; D121-P123 WeakPolarHBondContact O-CD 3.31Å
122L97.2Very high97.2Very high9 Ų962.5 Ų62.55%0.04736%0.364CS..  trans-123.563.6-178.7-66.5175.2000111.6V107 R110 C117 C118 S119 T124 L125 H126V107-L122 HydrophobicContact CG1-CD1 4.37Å; V107-L122 HydrophobicContact CG2-CD1 4.3Å; R110-L122 HydrophobicContact CB-CD1 4.45Å; R110-L122 HydrophobicContact CB-CD2 4.3Å; R110-L122 HydrophobicContact CG-CD2 3.74Å; R110-L122 HydrophobicContact CG-CG 4.23Å; C117-L122 HydrophobicContact CB-CD1 3.81Å; C118-L122 PolarHBondContact O-N 2.88Å; S119-L122 CarbonylContact O-C 3.39Å; L122-T124 PolarHBondContact O-N 3.08Å; L122-L125 HydrophobicContact CB-CB 3.88Å; L122-L125 HydrophobicContact CD1-CD2 3.94Å; L122-L125 PolarHBondContact O-N 2.85Å; L122-H126 PolarHBondContact O-N 2.91Å
123P97.6Very high97.4Very high73 Ų7360.1 Ų60.147%0.47434%0.342SS..Hα-helixtrans-59.8-32.2-179.423.4-33.9000112.6D121 H126 I127D121-P123 WeakPolarHBondContact O-CD 3.31Å; P123-H126 WeakPolarHBondContact O-CB 3.45Å; P123-H126 PolarHBondContact O-N 2.83Å; P123-I127 WeakPolarHBondContact O-CG1 3.38Å; P123-I127 PolarHBondContact O-N 3.25Å
124T97.7Very high97.5Very high60 Ų6060 Ų6037%0.36835%0.352SS..Hα-helixtrans-64.1-43.6175.6-50.70000111.7L103 L106 L122 H126 I127 W128L103-T124 HydrophobicContact CD1-CG2 4.06Å; L106-T124 HydrophobicContact CD1-CG2 4.26Å; L122-T124 PolarHBondContact O-N 3.08Å; T124-H126 VanDerWaalsContact C-N 3.33Å; T124-I127 PolarHBondContact O-N 2.68Å; T124-W128 WeakPolarHBondContact O-CB 3.3Å; T124-W128 PolarHBondContact O-N 3.05Å
125L98.2Very high97.6Very high1 Ų158.2 Ų58.21%0.00533%0.332CS..Hα-helixtrans-65.8-40.6175.917861.4000110.7A26 L27 F30 L103 V107 L122 I127 W128 L129A26-L125 HydrophobicContact CB-CD1 4.09Å; L27-L125 HydrophobicContact CD2-CD2 4.24Å; F30-L125 HydrophobicContact CD2-CD1 4.23Å; F30-L125 HydrophobicContact CE2-CD1 3.59Å; F30-L125 HydrophobicContact CZ-CD1 4.44Å; L103-L125 HydrophobicContact CD1-CB 4.28Å; L103-L125 HydrophobicContact CD1-CD1 4.41Å; V107-L125 HydrophobicContact CG2-CB 4.41Å; V107-L125 HydrophobicContact CG2-CD1 4.42Å; V107-L125 HydrophobicContact CG2-CD2 4.09Å; L122-L125 HydrophobicContact CB-CB 3.88Å; L122-L125 HydrophobicContact CD1-CD2 3.94Å; L122-L125 PolarHBondContact O-N 2.85Å; L125-I127 PolarHBondContact O-N 2.7Å; L125-W128 HydrophobicContact CD1-CE3 3.84Å; L125-W128 HydrophobicContact CD1-CZ3 4.39Å; L125-W128 PolarHBondContact O-N 2.78Å; L125-L129 HydrophobicContact CD1-CD1 4.46Å; L125-L129 HydrophobicContact CD1-CG 4.4Å; L125-L129 HydrophobicContact CG-CD1 4.26Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.47Å
126H98.3Very high97.7Very high74 Ų7456.4 Ų56.434%0.34331%0.308SS..Hα-helixtrans-58.7-47.1177.4-173.873.7000111.6S119 L122 P123 T124 L129 H130S119-H126 WeakPolarHBondContact CB-ND1 3.38Å; S119-H126 PolarHBondContact OG-ND1 3.22Å; L122-H126 PolarHBondContact O-N 2.91Å; P123-H126 WeakPolarHBondContact O-CB 3.45Å; P123-H126 PolarHBondContact O-N 2.83Å; T124-H126 VanDerWaalsContact C-N 3.33Å; H126-L129 PolarHBondContact O-N 3.2Å; H126-H130 AromaticContact CE1-CE1 3.47Å; H126-H130 PolarHBondContact CE1-CE1 3.09Å; H126-H130 VanDerWaalsContact CE1-CE1 3.47Å; H126-H130 AromaticContact ND1-CE1 3.99Å; H126-H130 AromaticContact NE2-CE1 3.61Å; H126-H130 PolarHBondContact O-ND1 3.4Å
127I98.2Very high97.8Very high110 Ų11059 Ų5956%0.56432%0.321SS*.Hα-helixtrans-65.2-43.4175.6-66.5167.8000111P123 T124 L125 L129 H130 L131P123-I127 WeakPolarHBondContact O-CG1 3.38Å; P123-I127 PolarHBondContact O-N 3.25Å; T124-I127 PolarHBondContact O-N 2.68Å; L125-I127 PolarHBondContact O-N 2.7Å; I127-L129 PolarHBondContact O-N 3.23Å; I127-H130 CarbonylContact O-C 3.55Å; I127-H130 WeakPolarHBondContact O-CA 3.11Å; I127-H130 PolarHBondContact O-N 3.23Å; I127-L131 PolarHBondContact O-N 3.42Å
128W98.6Very high97.9Very high13 Ų1361.5 Ų61.55%0.04934%0.338CS..Hα-helixtrans-56.1-40.2178.9-179.284.5000112.2I20 A26 F30 L103 T124 L125 H130 L131 R136 V140 W143I20-W128 HydrophobicContact CB-CH2 4.19Å; I20-W128 HydrophobicContact CB-CZ3 4.44Å; I20-W128 HydrophobicContact CD1-CH2 4.09Å; I20-W128 HydrophobicContact CG2-CH2 3.98Å; I20-W128 HydrophobicContact CG2-CZ3 3.73Å; A26-W128 HydrophobicContact CB-CZ3 4.41Å; F30-W128 HydrophobicContact CE2-CZ3 4.26Å; F30-W128 HydrophobicContact CZ-CH2 4.46Å; F30-W128 HydrophobicContact CZ-CZ3 4.45Å; L103-W128 HydrophobicContact CD2-CB 4.11Å; L103-W128 HydrophobicContact CD2-CD2 3.64Å; L103-W128 HydrophobicContact CD2-CE3 4.28Å; L103-W128 HydrophobicContact CD2-CG 3.53Å; T124-W128 WeakPolarHBondContact O-CB 3.3Å; T124-W128 PolarHBondContact O-N 3.05Å; L125-W128 HydrophobicContact CD1-CE3 3.84Å; L125-W128 HydrophobicContact CD1-CZ3 4.39Å; L125-W128 PolarHBondContact O-N 2.78Å; W128-H130 PolarHBondContact O-N 2.65Å; W128-L131 HydrophobicContact CG-CD1 4.49Å; W128-L131 WeakPolarHBondContact O-CB 3.37Å; W128-L131 PolarHBondContact O-N 3.41Å; W128-L131 VanDerWaalsContact O-N 3.15Å; W128-R136 HydrophobicContact CD2-CG 4.11Å; W128-R136 HydrophobicContact CE3-CG 4.39Å; W128-R136 HydrophobicContact CH2-CB 4.16Å; W128-R136 HydrophobicContact CH2-CG 4.05Å; W128-R136 HydrophobicContact CZ2-CB 3.89Å; W128-R136 HydrophobicContact CZ2-CG 3.76Å; W128-R136 HydrophobicContact CZ3-CG 4.36Å; W128-R136 WeakPolarHBondContact O-CD 3.4Å; W128-V140 HydrophobicContact CH2-CG2 4.13Å; W128-V140 HydrophobicContact CZ2-CG2 4.19Å; W128-W143 HydrophobicContact CH2-CZ3 4.28Å; W128-W143 AromaticContact CZ2-CH2 3.76Å; W128-W143 HydrophobicContact CZ2-CH2 3.76Å; W128-W143 AromaticContact CZ2-CZ3 3.79Å; W128-W143 HydrophobicContact CZ2-CZ3 3.79Å
129L98.5Very high98Very high14 Ų1462.6 Ų62.67%0.07334%0.339CS..THydrogen-bonded Turntrans-66.3-16.7174.4-76.4171.4000114.6I20 D22 H23 A26 L125 H126 I127 R136I20-L129 HydrophobicContact CG2-CD2 3.98Å; D22-L129 WeakPolarHBondContact O-CD2 3.42Å; H23-L129 HydrophobicContact CB-CD1 4.07Å; A26-L129 HydrophobicContact CB-CD1 4.3Å; A26-L129 HydrophobicContact CB-CD2 4.02Å; L125-L129 HydrophobicContact CD1-CD1 4.46Å; L125-L129 HydrophobicContact CD1-CG 4.4Å; L125-L129 HydrophobicContact CG-CD1 4.26Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.47Å; H126-L129 PolarHBondContact O-N 3.2Å; I127-L129 PolarHBondContact O-N 3.23Å; L129-R136 PolarHBondContact O-NH1 2.9Å; L129-R136 PolarHBondContact O-NH2 3.16Å
130H98.5Very high98.2Very high139 Ų13960.3 Ų60.364%0.64432%0.323SS*.THydrogen-bonded Turntrans-99.6-1.4175.7-69.779.2000113.1H126 I127 W128H126-H130 AromaticContact CE1-CE1 3.47Å; H126-H130 PolarHBondContact CE1-CE1 3.09Å; H126-H130 VanDerWaalsContact CE1-CE1 3.47Å; H126-H130 AromaticContact ND1-CE1 3.99Å; H126-H130 AromaticContact NE2-CE1 3.61Å; H126-H130 PolarHBondContact O-ND1 3.4Å; I127-H130 CarbonylContact O-C 3.55Å; I127-H130 WeakPolarHBondContact O-CA 3.11Å; I127-H130 PolarHBondContact O-N 3.23Å; W128-H130 PolarHBondContact O-N 2.65Å
131L98.6Very high98.4Very high53 Ų5359.1 Ų59.128%0.27732%0.32SS..SBendtrans-66.6156.3170.6-63.6178.1000110.7I127 W128 Q133 R136I127-L131 PolarHBondContact O-N 3.42Å; W128-L131 HydrophobicContact CG-CD1 4.49Å; W128-L131 WeakPolarHBondContact O-CB 3.37Å; W128-L131 PolarHBondContact O-N 3.41Å; W128-L131 VanDerWaalsContact O-N 3.15Å; L131-Q133 PolarHBondContact O-N 2.85Å; L131-R136 PolarHBondContact O-NE 3.17Å; L131-R136 PolarHBondContact O-NH2 3.11Å
132P98.7Very high98.4Very high77 Ų7760.1 Ų60.150%0.533%0.327SS..  trans-50.5135.8173.1-26.734.9000111.3A134 Q135 R136P132-A134 PolarHBondContact O-N 3.3Å; P132-A134 VanDerWaalsContact O-N 3.14Å; P132-Q135 HydrophobicContact CB-CG 4.38Å; P132-Q135 WeakPolarHBondContact O-CB 3.43Å; P132-Q135 PolarHBondContact O-N 2.93Å; P132-R136 PolarHBondContact O-N 3.49Å
133Q98.8Very high98.5Very high53 Ų5360 Ų6025%0.24833%0.326CS..Hα-helixtrans-52.4-41.7-174.5-171.460.45200112.3I20 L131 Q135 R136 D137I20-Q133 PolarHBondContact O-NE2 3.25Å; L131-Q133 PolarHBondContact O-N 2.85Å; Q133-Q135 PolarHBondContact O-N 2.91Å; Q133-Q135 VanDerWaalsContact O-N 3.16Å; Q133-R136 WeakPolarHBondContact O-CB 3.45Å; Q133-R136 PolarHBondContact O-N 2.93Å; Q133-R136 VanDerWaalsContact OE1-CZ 3.24Å; Q133-R136 VanDerWaalsContact OE1-NH2 3.16Å; Q133-D137 PolarHBondContact NE2-OD1 2.78Å; Q133-D137 VanDerWaalsContact O-CG 3.29Å; Q133-D137 PolarHBondContact O-N 3.14Å
134A98.7Very high98.6Very high72 Ų7258 Ų5860%0.59531%0.312SS*.Hα-helixtrans-56.9-32.7177.700000113.9P132 S138P132-A134 PolarHBondContact O-N 3.3Å; P132-A134 VanDerWaalsContact O-N 3.14Å; A134-S138 WeakPolarHBondContact O-CB 3.38Å; A134-S138 PolarHBondContact O-N 2.89Å; A134-S138 VanDerWaalsContact O-N 3.09Å
135Q98.7Very high98.6Very high93 Ų9357.2 Ų57.244%0.43531%0.311SS..Hα-helixtrans-72.5-38.6176.4-64.4-174.721.400111.6P132 Q133 Q139P132-Q135 HydrophobicContact CB-CG 4.38Å; P132-Q135 WeakPolarHBondContact O-CB 3.43Å; P132-Q135 PolarHBondContact O-N 2.93Å; Q133-Q135 PolarHBondContact O-N 2.91Å; Q133-Q135 VanDerWaalsContact O-N 3.16Å; Q135-Q139 WeakPolarHBondContact O-CG 3.29Å; Q135-Q139 PolarHBondContact O-N 3.22Å
136R98.7Very high98.6Very high18 Ų1859.2 Ų59.27%0.06833%0.325CS..Hα-helixtrans-66.1-46.6175.5-71.6-174.8-85.7172.7-12.6110.9I20 V21 W128 L129 L131 P132 Q133 S138 Q139 V140I20-R136 PolarHBondContact O-NH1 2.94Å; V21-R136 VanDerWaalsContact C-NH1 3.29Å; V21-R136 PolarHBondContact O-NH1 3.28Å; W128-R136 HydrophobicContact CD2-CG 4.11Å; W128-R136 HydrophobicContact CE3-CG 4.39Å; W128-R136 HydrophobicContact CH2-CB 4.16Å; W128-R136 HydrophobicContact CH2-CG 4.05Å; W128-R136 HydrophobicContact CZ2-CB 3.89Å; W128-R136 HydrophobicContact CZ2-CG 3.76Å; W128-R136 HydrophobicContact CZ3-CG 4.36Å; W128-R136 WeakPolarHBondContact O-CD 3.4Å; L129-R136 PolarHBondContact O-NH1 2.9Å; L129-R136 PolarHBondContact O-NH2 3.16Å; L131-R136 PolarHBondContact O-NE 3.17Å; L131-R136 PolarHBondContact O-NH2 3.11Å; P132-R136 PolarHBondContact O-N 3.49Å; Q133-R136 WeakPolarHBondContact O-CB 3.45Å; Q133-R136 PolarHBondContact O-N 2.93Å; Q133-R136 VanDerWaalsContact OE1-CZ 3.24Å; Q133-R136 VanDerWaalsContact OE1-NH2 3.16Å; R136-S138 VanDerWaalsContact C-N 3.33Å; R136-S138 PolarHBondContact O-N 3Å; R136-Q139 PolarHBondContact O-N 3.43Å; R136-V140 WeakPolarHBondContact O-CB 3.37Å; R136-V140 VanDerWaalsContact O-CG2 3.29Å; R136-V140 WeakPolarHBondContact O-CG2 3.21Å; R136-V140 PolarHBondContact O-N 2.97Å
137D98.8Very high98.6Very high60 Ų6055.9 Ų55.932%0.32131%0.309SS..Hα-helixtrans-59.6-45.6179.5-63-16.8000111P19 Q133 Q139 V140 E141P19-D137 WeakPolarHBondContact CB-OD1 3.46Å; Q133-D137 PolarHBondContact NE2-OD1 2.78Å; Q133-D137 VanDerWaalsContact O-CG 3.29Å; Q133-D137 PolarHBondContact O-N 3.14Å; D137-Q139 VanDerWaalsContact C-N 3.35Å; D137-Q139 PolarHBondContact O-N 3.44Å; D137-V140 PolarHBondContact O-N 3.03Å; D137-E141 WeakPolarHBondContact O-CB 3.38Å; D137-E141 PolarHBondContact O-N 3.1Å
138S98.8Very high98.6Very high66 Ų6654.5 Ų54.546%0.46230%0.303SS..Hα-helixtrans-60.6-40.8177.6178.70000113A134 R136 T142A134-S138 WeakPolarHBondContact O-CB 3.38Å; A134-S138 PolarHBondContact O-N 2.89Å; A134-S138 VanDerWaalsContact O-N 3.09Å; R136-S138 VanDerWaalsContact C-N 3.33Å; R136-S138 PolarHBondContact O-N 3Å; S138-T142 PolarHBondContact O-N 3.15Å; S138-T142 VanDerWaalsContact O-N 3.11Å; S138-T142 PolarHBondContact O-OG1 2.89Å
139Q98.6Very high98.6Very high68 Ų6855.3 Ų55.332%0.31831%0.31SS..Hα-helixtrans-68.6-44.6177.1-71.5177.125.200111.7Q135 R136 D137 E141 T142 W143Q135-Q139 WeakPolarHBondContact O-CG 3.29Å; Q135-Q139 PolarHBondContact O-N 3.22Å; R136-Q139 PolarHBondContact O-N 3.43Å; D137-Q139 VanDerWaalsContact C-N 3.35Å; D137-Q139 PolarHBondContact O-N 3.44Å; Q139-E141 PolarHBondContact O-N 3.04Å; Q139-T142 WeakPolarHBondContact O-CB 3.12Å; Q139-T142 PolarHBondContact O-N 3.38Å; Q139-W143 HydrophobicContact CB-CH2 4.1Å; Q139-W143 HydrophobicContact CB-CZ2 4.16Å; Q139-W143 HydrophobicContact CB-CZ3 4.42Å; Q139-W143 PolarHBondContact O-N 3.34Å
140V98.8Very high98.6Very high4 Ų454.8 Ų54.82%0.02431%0.307CS..Hα-helixtrans-62.4-43.9178.5171.90000111.4L18 I20 F29 W128 R136 D137 T142 W143 I144L18-V140 HydrophobicContact CD1-CG1 4.22Å; L18-V140 HydrophobicContact CD2-CG1 3.67Å; I20-V140 HydrophobicContact CD1-CG2 3.63Å; I20-V140 HydrophobicContact CG1-CG2 4.28Å; F29-V140 HydrophobicContact CD2-CG1 4.45Å; F29-V140 HydrophobicContact CE2-CG1 3.84Å; F29-V140 HydrophobicContact CZ-CG1 4.11Å; W128-V140 HydrophobicContact CH2-CG2 4.13Å; W128-V140 HydrophobicContact CZ2-CG2 4.19Å; R136-V140 WeakPolarHBondContact O-CB 3.37Å; R136-V140 VanDerWaalsContact O-CG2 3.29Å; R136-V140 WeakPolarHBondContact O-CG2 3.21Å; R136-V140 PolarHBondContact O-N 2.97Å; D137-V140 PolarHBondContact O-N 3.03Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 2.81Å; V140-W143 HydrophobicContact CB-CE3 4.36Å; V140-W143 HydrophobicContact CG2-CE3 3.91Å; V140-W143 HydrophobicContact CG2-CZ3 3.77Å; V140-W143 PolarHBondContact O-N 3.23Å; V140-I144 HydrophobicContact CG1-CD1 3.71Å; V140-I144 HydrophobicContact CG1-CG1 4.38Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; V140-I144 PolarHBondContact O-N 3.17Å
141E98.7Very high98.6Very high138 Ų13849.8 Ų49.865%0.64529%0.287SS*.Hα-helixtrans-57.6-44.6174.2-176.4176.5-158.300110.9D137 Q139 W143 I144 A145D137-E141 WeakPolarHBondContact O-CB 3.38Å; D137-E141 PolarHBondContact O-N 3.1Å; Q139-E141 PolarHBondContact O-N 3.04Å; E141-W143 PolarHBondContact O-N 3.49Å; E141-I144 PolarHBondContact O-N 3.14Å; E141-A145 WeakPolarHBondContact O-CB 3.46Å; E141-A145 PolarHBondContact O-N 3.27Å
142T98.7Very high98.5Very high68 Ų6852 Ų5242%0.41730%0.296SS..Hα-helixtrans-63.8-43178-53.80000111.9F97 S138 Q139 V140 A145 S146F97-T142 HydrophobicContact CE1-CG2 3.73Å; F97-T142 HydrophobicContact CZ-CG2 3.53Å; S138-T142 PolarHBondContact O-N 3.15Å; S138-T142 VanDerWaalsContact O-N 3.11Å; S138-T142 PolarHBondContact O-OG1 2.89Å; Q139-T142 WeakPolarHBondContact O-CB 3.12Å; Q139-T142 PolarHBondContact O-N 3.38Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 2.81Å; T142-A145 PolarHBondContact O-N 2.88Å; T142-S146 PolarHBondContact O-N 3.41Å; T142-S146 VanDerWaalsContact O-N 3.15Å
143W98.8Very high98.5Very high5 Ų548.3 Ų48.32%0.01927%0.272CS..Hα-helixtrans-61.3-47.6175.8-67.5-35.2000111.7F29 F30 F97 L98 D101 L103 I104 W128 Q139 V140 E141 S146F29-W143 HydrophobicContact CD1-CE3 4.49Å; F29-W143 HydrophobicContact CE1-CD2 4.42Å; F29-W143 AromaticContact CE1-CE3 3.52Å; F29-W143 HydrophobicContact CE1-CE3 3.52Å; F29-W143 HydrophobicContact CE1-CZ3 4.08Å; F29-W143 HydrophobicContact CZ-CB 4.27Å; F29-W143 AromaticContact CZ-CE3 3.9Å; F29-W143 HydrophobicContact CZ-CE3 3.9Å; F30-W143 HydrophobicContact CE1-CH2 4.08Å; F30-W143 AromaticContact CE1-CZ3 3.93Å; F30-W143 HydrophobicContact CE1-CZ3 3.93Å; F30-W143 AromaticContact CZ-CH2 3.97Å; F30-W143 HydrophobicContact CZ-CH2 3.97Å; F30-W143 AromaticContact CZ-CZ3 3.88Å; F30-W143 HydrophobicContact CZ-CZ3 3.88Å; F97-W143 AromaticContact CE1-CD1 3.68Å; L98-W143 HydrophobicContact CD2-CB 3.56Å; L98-W143 HydrophobicContact CD2-CG 3.86Å; D101-W143 VanDerWaalsContact CG-NE1 3.34Å; D101-W143 PolarHBondContact OD2-NE1 2.96Å; L103-W143 HydrophobicContact CD2-CH2 3.96Å; L103-W143 HydrophobicContact CD2-CZ2 4.49Å; I104-W143 HydrophobicContact CD1-CD2 4.08Å; I104-W143 HydrophobicContact CD1-CG 4.07Å; W128-W143 HydrophobicContact CH2-CZ3 4.28Å; W128-W143 AromaticContact CZ2-CH2 3.76Å; W128-W143 HydrophobicContact CZ2-CH2 3.76Å; W128-W143 AromaticContact CZ2-CZ3 3.79Å; W128-W143 HydrophobicContact CZ2-CZ3 3.79Å; Q139-W143 HydrophobicContact CB-CH2 4.1Å; Q139-W143 HydrophobicContact CB-CZ2 4.16Å; Q139-W143 HydrophobicContact CB-CZ3 4.42Å; Q139-W143 PolarHBondContact O-N 3.34Å; V140-W143 HydrophobicContact CB-CE3 4.36Å; V140-W143 HydrophobicContact CG2-CE3 3.91Å; V140-W143 HydrophobicContact CG2-CZ3 3.77Å; V140-W143 PolarHBondContact O-N 3.23Å; E141-W143 PolarHBondContact O-N 3.49Å; W143-S146 WeakPolarHBondContact O-CB 3.45Å; W143-S146 PolarHBondContact O-N 3.04Å; W143-S146 PolarHBondContact O-OG 3.28Å
144I98.7Very high98.5Very high33 Ų3346 Ų4617%0.16926%0.261CS..Hα-helixtrans-64.6-44.9179.2-66.2168.9000110.3L14 T15 L18 F29 V140 E141 S146 L147L14-I144 HydrophobicContact CB-CD1 4.48Å; L14-I144 HydrophobicContact CB-CG1 4.33Å; T15-I144 HydrophobicContact CG2-CD1 4.02Å; L18-I144 HydrophobicContact CD1-CD1 3.77Å; F29-I144 HydrophobicContact CE2-CD1 4.05Å; F29-I144 HydrophobicContact CE2-CG1 3.98Å; F29-I144 HydrophobicContact CZ-CG1 4.27Å; V140-I144 HydrophobicContact CG1-CD1 3.71Å; V140-I144 HydrophobicContact CG1-CG1 4.38Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; V140-I144 PolarHBondContact O-N 3.17Å; E141-I144 PolarHBondContact O-N 3.14Å; I144-S146 PolarHBondContact O-N 3.02Å; I144-S146 VanDerWaalsContact O-N 3.17Å; I144-L147 WeakPolarHBondContact O-CB 3.46Å; I144-L147 PolarHBondContact O-N 3.35Å
145A98.4Very high98.4Very high43 Ų4346 Ų4636%0.35525%0.254SS..Hα-helixtrans-59.6-30.3-179.200000112.7E141 T142 L147 N148E141-A145 WeakPolarHBondContact O-CB 3.46Å; E141-A145 PolarHBondContact O-N 3.27Å; T142-A145 PolarHBondContact O-N 2.88Å; A145-L147 PolarHBondContact O-N 3.33Å; A145-L147 VanDerWaalsContact O-N 3.15Å; A145-N148 VanDerWaalsContact O-CB 3.27Å; A145-N148 WeakPolarHBondContact O-CB 3.49Å; A145-N148 VanDerWaalsContact O-CG 3.27Å; A145-N148 PolarHBondContact O-N 2.94Å
146S98.2Very high98.4Very high42 Ų4243 Ų4329%0.29424%0.24SC..THydrogen-bonded Turntrans-61.6-20.6175.380.70000113.9F97 T142 W143 I144F97-S146 VanDerWaalsContact CD1-CB 3.48Å; T142-S146 PolarHBondContact O-N 3.41Å; T142-S146 VanDerWaalsContact O-N 3.15Å; W143-S146 WeakPolarHBondContact O-CB 3.45Å; W143-S146 PolarHBondContact O-N 3.04Å; W143-S146 PolarHBondContact O-OG 3.28Å; I144-S146 PolarHBondContact O-N 3.02Å; I144-S146 VanDerWaalsContact O-N 3.17Å
147L98.4Very high98.4Very high4 Ų442.2 Ų42.22%0.02124%0.237CC..THydrogen-bonded Turntrans-92.4-8.5177.7-60.2177000113.1L14 L36 F40 L98 I144 A145 P149 L150 T151L14-L147 HydrophobicContact CD1-CD1 3.62Å; L36-L147 HydrophobicContact CD1-CD1 4.07Å; F40-L147 HydrophobicContact CE2-CD2 4.06Å; F40-L147 HydrophobicContact CZ-CD2 4.37Å; L98-L147 HydrophobicContact CD1-CD1 4Å; L98-L147 HydrophobicContact CD1-CD2 3.85Å; L98-L147 HydrophobicContact CD1-CG 4.02Å; I144-L147 WeakPolarHBondContact O-CB 3.46Å; I144-L147 PolarHBondContact O-N 3.35Å; A145-L147 PolarHBondContact O-N 3.33Å; A145-L147 VanDerWaalsContact O-N 3.15Å; L147-P149 VanDerWaalsContact C-CD 3.47Å; L147-L150 WeakPolarHBondContact O-CA 3.32Å; L147-L150 WeakPolarHBondContact O-CB 3.32Å; L147-L150 PolarHBondContact O-N 2.81Å; L147-T151 PolarHBondContact O-N 3.17Å; L147-T151 PolarHBondContact O-OG1 3.31Å
148N98.1Very high98.3Very high82 Ų8239.3 Ų39.344%0.43922%0.222SC..Hα-helixtrans-51.7-43-174.5-73.7-7.8000114.6A145 L150 T151 Q152A145-N148 VanDerWaalsContact O-CB 3.27Å; A145-N148 WeakPolarHBondContact O-CB 3.49Å; A145-N148 VanDerWaalsContact O-CG 3.27Å; A145-N148 PolarHBondContact O-N 2.94Å; N148-L150 VanDerWaalsContact C-N 3.26Å; N148-L150 PolarHBondContact O-N 2.99Å; N148-T151 PolarHBondContact O-N 2.84Å; N148-Q152 WeakPolarHBondContact O-CB 3.39Å; N148-Q152 PolarHBondContact O-N 3.09Å
149P98.1Very high98.3Very high29 Ų2939.9 Ų39.919%0.18822%0.22CC..Hα-helixtrans-56.2-40.1175.8-28.937.8000113.5V87 L88 A91 L147 A153V87-P149 HydrophobicContact CG1-CB 3.94Å; V87-P149 HydrophobicContact CG1-CG 4.06Å; L88-P149 HydrophobicContact CD1-CB 4.36Å; A91-P149 HydrophobicContact CB-CB 3.73Å; A91-P149 HydrophobicContact CB-CG 3.84Å; L147-P149 VanDerWaalsContact C-CD 3.47Å; P149-A153 WeakPolarHBondContact O-CB 3.29Å; P149-A153 PolarHBondContact O-N 3.35Å
150L98.2Very high98.3Very high3 Ų337.7 Ų37.72%0.01621%0.21CC..Hα-helixtrans-72.8-48.3176.2172.264.4000110.7I7 I11 F40 V45 L49 I94 L147 N148 Q152 A153 L154I7-L150 HydrophobicContact CG2-CD2 3.93Å; I11-L150 HydrophobicContact CD1-CD2 4.17Å; I11-L150 HydrophobicContact CD1-CG 4.35Å; F40-L150 HydrophobicContact CE1-CD2 3.52Å; F40-L150 HydrophobicContact CE2-CD2 4.49Å; F40-L150 HydrophobicContact CZ-CD2 3.39Å; V45-L150 HydrophobicContact CG1-CD1 3.78Å; L49-L150 HydrophobicContact CD2-CD1 3.67Å; I94-L150 HydrophobicContact CD1-CD1 4.27Å; I94-L150 HydrophobicContact CG2-CD2 3.79Å; L147-L150 WeakPolarHBondContact O-CA 3.32Å; L147-L150 WeakPolarHBondContact O-CB 3.32Å; L147-L150 PolarHBondContact O-N 2.81Å; N148-L150 VanDerWaalsContact C-N 3.26Å; N148-L150 PolarHBondContact O-N 2.99Å; L150-Q152 PolarHBondContact O-N 3.25Å; L150-A153 PolarHBondContact O-N 3.48Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-L154 PolarHBondContact O-N 3.5Å
151T98.3Very high98.2Very high34 Ų3437.6 Ų37.621%0.20921%0.209CC..Hα-helixtrans-56.5-50.1-177.6-55.80000111I11 L147 N148 A153 L154 T155I11-T151 HydrophobicContact CG2-CG2 3.95Å; L147-T151 PolarHBondContact O-N 3.17Å; L147-T151 PolarHBondContact O-OG1 3.31Å; N148-T151 PolarHBondContact O-N 2.84Å; T151-A153 PolarHBondContact O-N 2.92Å; T151-L154 PolarHBondContact O-N 3.16Å; T151-T155 WeakPolarHBondContact O-CB 3.5Å; T151-T155 PolarHBondContact O-N 3Å; T151-T155 PolarHBondContact O-OG1 3.11Å
152Q97.6Very high98.2Very high100 Ų10033.9 Ų33.947%0.46719%0.189SC..Hα-helixtrans-61.3-48.3-178.5-172.9176.110.300111.9A84 N148 L150 M156A84-Q152 HydrophobicContact CB-CG 4.39Å; N148-Q152 WeakPolarHBondContact O-CB 3.39Å; N148-Q152 PolarHBondContact O-N 3.09Å; L150-Q152 PolarHBondContact O-N 3.25Å; Q152-M156 VanDerWaalsContact O-CG 3.31Å; Q152-M156 WeakPolarHBondContact O-CG 3.47Å; Q152-M156 PolarHBondContact O-N 3.27Å
153A98.3Very high98.1Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-62.6-45.2178.400000112L49 L53 A84 L88 P149 L150 T151 V157L49-A153 HydrophobicContact CD2-CB 3.61Å; L49-A153 HydrophobicContact CG-CB 4.11Å; L53-A153 HydrophobicContact CD1-CB 4.04Å; A84-A153 HydrophobicContact CB-CB 4.42Å; L88-A153 HydrophobicContact CD2-CB 3.92Å; P149-A153 WeakPolarHBondContact O-CB 3.29Å; P149-A153 PolarHBondContact O-N 3.35Å; L150-A153 PolarHBondContact O-N 3.48Å; T151-A153 PolarHBondContact O-N 2.92Å; A153-V157 WeakPolarHBondContact O-CB 3.49Å; A153-V157 WeakPolarHBondContact O-CG2 3.49Å; A153-V157 PolarHBondContact O-N 2.9Å; A153-V157 VanDerWaalsContact O-N 3.08Å
154L98.4Very high97.8Very high3 Ų339.6 Ų39.62%0.01622%0.218CC..Hα-helixtrans-65.7-47.5-177.9-178.563.7000111.9W4 I7 E8 I11 L49 L150 T151 M156 V157 L158W4-L154 HydrophobicContact CB-CD1 3.66Å; W4-L154 HydrophobicContact CG-CD1 3.8Å; I7-L154 HydrophobicContact CB-CD2 3.95Å; I7-L154 HydrophobicContact CG2-CD2 3.49Å; I7-L154 VanDerWaalsContact CG2-CD2 3.49Å; E8-L154 HydrophobicContact CB-CD2 4.11Å; I11-L154 HydrophobicContact CD1-CD2 4.36Å; L49-L154 HydrophobicContact CD1-CD1 4.37Å; L49-L154 HydrophobicContact CD2-CB 4.27Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-L154 PolarHBondContact O-N 3.5Å; T151-L154 PolarHBondContact O-N 3.16Å; L154-M156 PolarHBondContact O-N 3.41Å; L154-V157 PolarHBondContact O-N 3.21Å; L154-L158 HydrophobicContact CD1-CD1 3.86Å; L154-L158 HydrophobicContact CD1-CG 4.08Å; L154-L158 HydrophobicContact CG-CD1 3.97Å; L154-L158 HydrophobicContact CG-CG 4.47Å; L154-L158 WeakPolarHBondContact O-CB 3.21Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.37Å
155T98Very high97.7Very high73 Ų7339 Ų3945%0.44822%0.218SC..Hα-helixtrans-60.7-45.9179.8-62.60000110.9T151 L158 D159T151-T155 WeakPolarHBondContact O-CB 3.5Å; T151-T155 PolarHBondContact O-N 3Å; T151-T155 PolarHBondContact O-OG1 3.11Å; T155-L158 PolarHBondContact O-N 3.33Å; T155-D159 WeakPolarHBondContact O-CB 3.3Å; T155-D159 PolarHBondContact O-N 3.41Å
156M97.6Very high97.7Very high31 Ų3141.3 Ų41.315%0.15323%0.229CC..Hα-helixtrans-63.6-43.5178.1-69.6-171.8-36.400112.6L53 Q80 L81 A84 Q152 L154 D159 L160L53-M156 HydrophobicContact CD2-CE 4.22Å; Q80-M156 HydrophobicContact CB-SD 3.96Å; L81-M156 HydrophobicContact CD2-CB 4.48Å; L81-M156 HydrophobicContact CD2-CE 4.05Å; A84-M156 HydrophobicContact CB-CE 3.16Å; A84-M156 HydrophobicContact CB-SD 4.44Å; Q152-M156 VanDerWaalsContact O-CG 3.31Å; Q152-M156 WeakPolarHBondContact O-CG 3.47Å; Q152-M156 PolarHBondContact O-N 3.27Å; L154-M156 PolarHBondContact O-N 3.41Å; M156-D159 PolarHBondContact O-N 3.02Å; M156-L160 WeakPolarHBondContact O-CG 3.4Å; M156-L160 PolarHBondContact O-N 3.37Å
157V98.2Very high97.7Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-61.2-48.9178.21630000110.9W4 L49 E52 L53 A153 L154 D159 L160 I161W4-V157 HydrophobicContact CE3-CG1 4.47Å; W4-V157 HydrophobicContact CZ3-CG1 4.23Å; L49-V157 HydrophobicContact CD1-CB 4.12Å; L49-V157 HydrophobicContact CD1-CG1 4.3Å; L49-V157 HydrophobicContact CD1-CG2 3.87Å; E52-V157 HydrophobicContact CB-CG1 4.27Å; E52-V157 HydrophobicContact CG-CG1 3.45Å; E52-V157 VanDerWaalsContact CG-CG1 3.45Å; E52-V157 HydrophobicContact CG-CG2 4.34Å; L53-V157 HydrophobicContact CD2-CG2 3.57Å; L53-V157 HydrophobicContact CG-CG2 3.94Å; A153-V157 WeakPolarHBondContact O-CB 3.49Å; A153-V157 WeakPolarHBondContact O-CG2 3.49Å; A153-V157 PolarHBondContact O-N 2.9Å; A153-V157 VanDerWaalsContact O-N 3.08Å; L154-V157 PolarHBondContact O-N 3.21Å; V157-D159 VanDerWaalsContact C-N 3.34Å; V157-D159 PolarHBondContact O-N 3.37Å; V157-L160 PolarHBondContact O-N 3.36Å; V157-I161 HydrophobicContact CG1-CD1 3.73Å; V157-I161 VanDerWaalsContact O-CG1 3.27Å; V157-I161 WeakPolarHBondContact O-CG1 3.45Å; V157-I161 PolarHBondContact O-N 3.49Å
158L98.5Very high97.7Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-68.7-34-178.9-67.2178.6000112.2M1 W4 E8 L154 T155 I161 R162M1-L158 HydrophobicContact CE-CD2 4.11Å; M1-L158 HydrophobicContact SD-CD2 3.65Å; W4-L158 HydrophobicContact CB-CD1 4.45Å; W4-L158 HydrophobicContact CB-CD2 4.11Å; W4-L158 HydrophobicContact CE3-CD2 4.27Å; E8-L158 HydrophobicContact CB-CD1 3.82Å; E8-L158 VanDerWaalsContact CD-CD1 3.43Å; E8-L158 HydrophobicContact CG-CD1 4.07Å; E8-L158 WeakPolarHBondContact OE1-CD1 3.47Å; L154-L158 HydrophobicContact CD1-CD1 3.86Å; L154-L158 HydrophobicContact CD1-CG 4.08Å; L154-L158 HydrophobicContact CG-CD1 3.97Å; L154-L158 HydrophobicContact CG-CG 4.47Å; L154-L158 WeakPolarHBondContact O-CB 3.21Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.37Å; T155-L158 PolarHBondContact O-N 3.33Å; L158-I161 PolarHBondContact O-N 3.16Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 WeakPolarHBondContact O-CG 3.37Å; L158-R162 PolarHBondContact O-N 3.03Å
159D98Very high97.7Very high78 Ų7854.4 Ų54.442%0.41727%0.272SS..Hα-helixtrans-63.4-47.4175.1-17046.9000111.5T155 M156 V157 I161 R162 Q163T155-D159 WeakPolarHBondContact O-CB 3.3Å; T155-D159 PolarHBondContact O-N 3.41Å; M156-D159 PolarHBondContact O-N 3.02Å; V157-D159 VanDerWaalsContact C-N 3.34Å; V157-D159 PolarHBondContact O-N 3.37Å; D159-I161 PolarHBondContact O-N 3.21Å; D159-R162 PolarHBondContact O-N 3.46Å; D159-Q163 WeakPolarHBondContact O-CG 3.33Å; D159-Q163 PolarHBondContact O-N 2.81Å; D159-Q163 VanDerWaalsContact O-N 3.07Å; D159-Q163 PolarHBondContact OD1-NE2 3.11Å; D159-Q163 PolarHBondContact OD2-NE2 3.23Å
160L97.6Very high97.7Very high22 Ų2255.4 Ų55.412%0.11527%0.274CS..Hα-helixtrans-62.3-43.2175.3-72173000112.5Q56 L60 L77 L81 M156 V157 Q163 S164Q56-L160 HydrophobicContact CB-CD1 4.03Å; Q56-L160 HydrophobicContact CG-CD1 4.43Å; L60-L160 HydrophobicContact CD1-CD1 4.3Å; L60-L160 HydrophobicContact CD1-CD2 4.48Å; L77-L160 HydrophobicContact CD1-CD2 4.2Å; L81-L160 HydrophobicContact CD1-CD1 3.8Å; L81-L160 HydrophobicContact CD2-CD1 3.77Å; L81-L160 HydrophobicContact CG-CD1 4.18Å; M156-L160 WeakPolarHBondContact O-CG 3.4Å; M156-L160 PolarHBondContact O-N 3.37Å; V157-L160 PolarHBondContact O-N 3.36Å; L160-Q163 PolarHBondContact O-N 2.89Å; L160-S164 PolarHBondContact O-N 2.97Å
161I97.7Very high97.7Very high1 Ų158.1 Ų58.11%0.00529%0.291CS..Hα-helixtrans-62.4-45.3176.5-68.8169.5000110.1M1 W4 E52 V157 L158 D159 Q163 S164 L186 C233M1-I161 HydrophobicContact CE-CD1 3.66Å; M1-I161 HydrophobicContact CE-CG2 3.9Å; W4-I161 HydrophobicContact CZ3-CD1 4.19Å; E52-I161 HydrophobicContact CG-CD1 4.43Å; V157-I161 HydrophobicContact CG1-CD1 3.73Å; V157-I161 VanDerWaalsContact O-CG1 3.27Å; V157-I161 WeakPolarHBondContact O-CG1 3.45Å; V157-I161 PolarHBondContact O-N 3.49Å; L158-I161 PolarHBondContact O-N 3.16Å; D159-I161 PolarHBondContact O-N 3.21Å; I161-Q163 PolarHBondContact O-N 3.19Å; I161-S164 WeakPolarHBondContact O-CB 3.2Å; I161-S164 PolarHBondContact O-N 3.03Å; I161-S164 PolarHBondContact O-OG 3.43Å; I161-L186 HydrophobicContact CG2-CB 4.18Å; I161-L186 HydrophobicContact CG2-CD2 4.39Å; I161-C233 HydrophobicContact CG2-CB 3.81Å; I161-C233 VanDerWaalsContact O-CB 3.22Å; I161-C233 WeakPolarHBondContact O-CB 3.48Å; I161-C233 PolarHBondContact O-SG 3.31Å; I161-C233 VanDerWaalsContact O-SG 3.42Å
162R98.1Very high97.6Very high61 Ų6156.5 Ų56.523%0.2328%0.281CS..Hα-helixtrans-62.2-33.2179.6-75.5171.8-176.3124.93.4112.7E8 L158 D159 L186 R188E8-R162 IonicContact OE1-CZ 2.72Å; E8-R162 VanDerWaalsContact OE1-CZ 3.32Å; E8-R162 IonicContact OE1-NH1 3.05Å; E8-R162 PolarHBondContact OE1-NH1 2.99Å; E8-R162 IonicContact OE1-NH2 3.32Å; E8-R162 PolarHBondContact OE1-NH2 3.04Å; E8-R162 IonicContact OE2-CZ 2.94Å; E8-R162 IonicContact OE2-NH1 2.65Å; E8-R162 IonicContact OE2-NH2 3.67Å; E8-R162 PolarHBondContact OE2-NH2 2.85Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 WeakPolarHBondContact O-CG 3.37Å; L158-R162 PolarHBondContact O-N 3.03Å; D159-R162 PolarHBondContact O-N 3.46Å; R162-L186 HydrophobicContact CG-CD2 3.85Å; R162-R188 PolarHBondContact O-NH1 3.47Å
163Q96.1Very high97.6Very high133 Ų13356.5 Ų56.562%0.62128%0.284SS*.Hα-helixtrans-87.9-7.4-179.7-65.417955.500113.5D159 L160 I161 A165D159-Q163 WeakPolarHBondContact O-CG 3.33Å; D159-Q163 PolarHBondContact O-N 2.81Å; D159-Q163 VanDerWaalsContact O-N 3.07Å; D159-Q163 PolarHBondContact OD1-NE2 3.11Å; D159-Q163 PolarHBondContact OD2-NE2 3.23Å; L160-Q163 PolarHBondContact O-N 2.89Å; I161-Q163 PolarHBondContact O-N 3.19Å; Q163-A165 VanDerWaalsContact C-N 3.27Å; Q163-A165 PolarHBondContact O-N 3.48Å
164S94.5Very high97.5Very high60 Ų6062.3 Ų62.342%0.4232%0.315SS..SBendtrans-67.5-26.1-175.674.70000113.7L160 I161 C233L160-S164 PolarHBondContact O-N 2.97Å; I161-S164 WeakPolarHBondContact O-CB 3.2Å; I161-S164 PolarHBondContact O-N 3.03Å; I161-S164 PolarHBondContact O-OG 3.43Å; S164-C233 PolarHBondContact OG-OXT 3.42Å; S164-C233 VanDerWaalsContact OG-OXT 3.08Å
165A96Very high97.4Very high19 Ų1962.4 Ų62.416%0.15732%0.317CS..SBendtrans-132.8129.5-174.400000111.2Q163 A231 C232Q163-A165 VanDerWaalsContact C-N 3.27Å; Q163-A165 PolarHBondContact O-N 3.48Å; A165-A231 HydrophobicContact CB-CB 4.42Å; A165-C232 VanDerWaalsContact CB-O 3.24Å; A165-C232 WeakPolarHBondContact CB-O 3.45Å
166P97.2Very high97.4Very high92 Ų9263 Ų6360%0.59731%0.314SS*.  trans-73.8152.2174.531.7-34.8000110.8
167F98.4Very high97.4Very high59 Ų5962.7 Ų62.726%0.25931%0.311SS..  trans-64.6134.2166.8-81.4-75.7000110.8R188 N190 E229 A231F167-R188 HydrophobicContact CE1-CB 3.79Å; F167-R188 WeakPolarHBondContact CE1-O 3.16Å; F167-R188 HydrophobicContact CZ-CB 3.67Å; F167-N190 WeakPolarHBondContact CZ-ND2 3.36Å; F167-N190 WeakPolarHBondContact CZ-OD1 3.49Å; F167-E229 HydrophobicContact CB-CB 4.02Å; F167-E229 HydrophobicContact CD1-CB 3.7Å; F167-E229 HydrophobicContact CG-CB 4.17Å; F167-A231 HydrophobicContact CD1-CB 4.01Å; F167-A231 HydrophobicContact CE1-CB 4.25Å; F167-A231 HydrophobicContact CG-CB 4.27Å
168R98.1Very high97.4Very high168 Ų16869 Ų6963%0.63434%0.34SS*.EExtended strand (participates in β ladder)trans-117.8136.4173.4-62.1-177.9-178.41790.4108.9Q170 E229 L230R168-Q170 PolarHBondContact O-N 2.99Å; R168-E229 WeakPolarHBondContact O-CA 3.49Å; R168-L230 PolarHBondContact N-O 3.22Å; R168-L230 PolarHBondContact O-N 3.44Å
169K98.3Very high97.3Very high177 Ų17772.5 Ų72.577%0.7736%0.359SS*.EExtended strand (participates in β ladder)trans-64.7134.5173-69.4-171.3177.1-173.70110
170Q98.1Very high97.2Very high49 Ų4972.3 Ų72.323%0.22936%0.358CS..EExtended strand (participates in β ladder)trans-133.8157.6177.1-61.1-61.5-17.400108.8R168 Y177 D227 F228 L230R168-Q170 PolarHBondContact O-N 2.99Å; Q170-Y177 HydrophobicContact CB-CE2 3.89Å; Q170-Y177 HydrophobicContact CG-CE2 4.17Å; Q170-Y177 PolarHBondContact NE2-OH 2.77Å; Q170-Y177 PolarHBondContact OE1-OH 3.32Å; Q170-D227 WeakPolarHBondContact O-CA 3.41Å; Q170-F228 HydrophobicContact CB-CD1 4.12Å; Q170-F228 HydrophobicContact CB-CD2 4.43Å; Q170-F228 HydrophobicContact CB-CE1 3.63Å; Q170-F228 HydrophobicContact CB-CE2 3.99Å; Q170-F228 HydrophobicContact CB-CG 4.5Å; Q170-F228 HydrophobicContact CB-CZ 3.55Å; Q170-F228 HydrophobicContact CG-CE2 4.44Å; Q170-F228 HydrophobicContact CG-CZ 4.29Å; Q170-F228 PolarHBondContact N-O 3.46Å; Q170-F228 PolarHBondContact O-N 2.99Å; Q170-F228 VanDerWaalsContact O-O 3.07Å; Q170-L230 HydrophobicContact CG-CB 3.74Å; Q170-L230 HydrophobicContact CG-CD2 4.23Å
171T98.1Very high96.9Very high60 Ų6072 Ų7237%0.36836%0.36SS..EExtended strand (participates in β ladder)trans-125.8122.7173.5-55.90000108.5L173 R225 L226 D227T171-L173 HydrophobicContact CG2-CD2 4.23Å; T171-R225 HydrophobicContact CG2-CB 4.41Å; T171-R225 HydrophobicContact CG2-CG 4.49Å; T171-L226 WeakPolarHBondContact CA-O 3.38Å; T171-D227 WeakPolarHBondContact CB-OD1 3.44Å; T171-D227 VanDerWaalsContact CG2-OD1 3.25Å; T171-D227 WeakPolarHBondContact CG2-OD1 3.48Å; T171-D227 PolarHBondContact OG1-OD1 2.82Å
172S97.6Very high96.7Very high0 Ų073.6 Ų73.60%038%0.377CS..EExtended strand (participates in β ladder)trans-86.8138.6167.9174.80000109.6G175 F176 F212 R225 L226S172-G175 VanDerWaalsContact OG-C 3.31Å; S172-F176 PolarHBondContact OG-N 2.96Å; S172-F176 PolarHBondContact OG-O 3.49Å; S172-F212 VanDerWaalsContact CB-CE2 3.48Å; S172-F212 WeakPolarHBondContact OG-CD2 3.44Å; S172-R225 WeakPolarHBondContact O-CA 3.4Å; S172-L226 PolarHBondContact N-O 2.7Å; S172-L226 PolarHBondContact O-N 2.7Å
173L97Very high96.3Very high100 Ų10078 Ų7852%0.52441%0.405SS..EExtended strand (participates in β ladder)trans-108.1128.5175-60.6178.9000109.1T171 G175 F176 E224 R225T171-L173 HydrophobicContact CG2-CD2 4.23Å; L173-G175 PolarHBondContact O-N 3.36Å; L173-F176 PolarHBondContact N-O 3.46Å; L173-F176 PolarHBondContact O-N 2.87Å; L173-E224 CarbonylContact C-O 3.57Å; L173-E224 VanDerWaalsContact CA-O 3.3Å; L173-E224 WeakPolarHBondContact CA-O 3.4Å; L173-R225 HydrophobicContact CD2-CG 3.82Å
174N95.4Very high96.2Very high123 Ų12373.2 Ų73.266%0.65839%0.388SS*.THydrogen-bonded Turntrans50.843-179.3-60.3-34.8000112.9F176 E224N174-F176 PolarHBondContact O-N 2.97Å; N174-E224 PolarHBondContact N-O 3.29Å
175G96.3Very high96.3Very high5 Ų573.2 Ų73.25%0.05238%0.383CS..THydrogen-bonded Turntrans6910.4178.900000115.7S172 L173 R211 F212 V222S172-G175 VanDerWaalsContact OG-C 3.31Å; L173-G175 PolarHBondContact O-N 3.36Å; G175-R211 CarbonylContact O-C 3.58Å; G175-R211 WeakPolarHBondContact O-CA 3.33Å; G175-F212 PolarHBondContact O-N 3.31Å; G175-V222 VanDerWaalsContact CA-CG1 3.41Å
176F98.3Very high96.3Very high86 Ų8673.3 Ų73.338%0.37738%0.381SS..EExtended strand (participates in β ladder)trans-120.9140.4179.8-170.7-103.6000111.9S172 L173 N174 Q178 A209 I210S172-F176 PolarHBondContact OG-N 2.96Å; S172-F176 PolarHBondContact OG-O 3.49Å; L173-F176 PolarHBondContact N-O 3.46Å; L173-F176 PolarHBondContact O-N 2.87Å; N174-F176 PolarHBondContact O-N 2.97Å; F176-Q178 HydrophobicContact CE1-CB 4Å; F176-Q178 HydrophobicContact CE1-CG 4.06Å; F176-Q178 HydrophobicContact CZ-CB 4.21Å; F176-A209 HydrophobicContact CE2-CB 3.91Å; F176-A209 HydrophobicContact CZ-CB 3.92Å; F176-I210 WeakPolarHBondContact CA-O 3.35Å
177Y98.4Very high96.4Very high24 Ų2471 Ų719%0.09436%0.364CS..EExtended strand (participates in β ladder)trans-144.3143171.8-178.5-87.9000109.3Q170 D179 F208 A209 I210 F228 L230Q170-Y177 HydrophobicContact CB-CE2 3.89Å; Q170-Y177 HydrophobicContact CG-CE2 4.17Å; Q170-Y177 PolarHBondContact NE2-OH 2.77Å; Q170-Y177 PolarHBondContact OE1-OH 3.32Å; Y177-D179 HydrophobicContact CE1-CB 3.64Å; Y177-D179 PolarHBondContact OH-OD2 3.35Å; Y177-F208 HydrophobicContact CD1-CE2 4.26Å; Y177-F208 HydrophobicContact CE1-CE2 4.09Å; Y177-F208 HydrophobicContact CE1-CZ 4.47Å; Y177-A209 CarbonylContact O-C 3.44Å; Y177-A209 WeakPolarHBondContact O-CA 3.45Å; Y177-I210 HydrophobicContact CD1-CD1 3.84Å; Y177-I210 HydrophobicContact CD1-CG1 4.46Å; Y177-I210 PolarHBondContact N-O 3.18Å; Y177-I210 PolarHBondContact O-N 2.66Å; Y177-F228 HydrophobicContact CD1-CZ 4.04Å; Y177-F228 HydrophobicContact CD2-CE1 4.04Å; Y177-F228 AromaticContact CD2-CZ 3.86Å; Y177-F228 HydrophobicContact CD2-CZ 3.86Å; Y177-F228 HydrophobicContact CE1-CZ 4.36Å; Y177-F228 HydrophobicContact CE2-CZ 4.21Å; Y177-F228 HydrophobicContact CG-CE1 4.23Å; Y177-F228 AromaticContact CG-CZ 3.76Å; Y177-F228 HydrophobicContact CG-CZ 3.76Å; Y177-L230 HydrophobicContact CE1-CD2 3.7Å
178Q97.3Very high96.4Very high131 Ų13172 Ų7261%0.61237%0.366SS*.EExtended strand (participates in β ladder)trans-141.9141.1175.564.6176.926.500110F176 F208F176-Q178 HydrophobicContact CE1-CB 4Å; F176-Q178 HydrophobicContact CE1-CG 4.06Å; F176-Q178 HydrophobicContact CZ-CB 4.21Å; Q178-F208 WeakPolarHBondContact CA-O 3.39Å
179D97Very high96.4Very high74 Ų7465.7 Ų65.740%0.39634%0.344SS..EExtended strand (participates in β ladder)trans-156.9179176.2-157.9-0.9000111Y177 R207 F208Y177-D179 HydrophobicContact CE1-CB 3.64Å; Y177-D179 PolarHBondContact OH-OD2 3.35Å; D179-R207 WeakPolarHBondContact O-CA 3.44Å; D179-F208 HydrophobicContact CB-CE1 4.25Å; D179-F208 HydrophobicContact CB-CE2 4.17Å; D179-F208 HydrophobicContact CB-CZ 3.7Å; D179-F208 PolarHBondContact N-O 2.98Å; D179-F208 PolarHBondContact O-N 3.39Å
180N95.7Very high96.4Very high75 Ų7560.6 Ų60.640%0.40133%0.326SS..EExtended strand (participates in β ladder)trans-105.5118.2174.2-171.6-2.9000109.9G182 S206 R207N180-G182 VanDerWaalsContact C-N 3.26Å; N180-G182 PolarHBondContact O-N 3.41Å; N180-G182 PolarHBondContact OD1-N 2.92Å; N180-S206 WeakPolarHBondContact OD1-CB 3.46Å; N180-S206 PolarHBondContact OD1-O 3.29Å; N180-S206 PolarHBondContact OD1-OG 3.46Å; N180-R207 HydrophobicContact CB-CG 4.33Å
181G92.1Very high96.4Very high15 Ų1560.6 Ų60.616%0.15533%0.327CS..  trans-76.9-10.3175.700000113.8D183 A184 S206G181-D183 PolarHBondContact O-N 3Å; G181-A184 WeakPolarHBondContact O-CB 3.37Å; G181-A184 PolarHBondContact O-N 3.22Å; G181-A184 VanDerWaalsContact O-N 3.08Å; G181-S206 PolarHBondContact N-O 3.46Å
182G92.6Very high96.3Very high35 Ų3560.8 Ų60.836%0.36133%0.331SS..THydrogen-bonded Turntrans60.5-123.9-174.400000111N180 A184 S206N180-G182 VanDerWaalsContact C-N 3.26Å; N180-G182 PolarHBondContact O-N 3.41Å; N180-G182 PolarHBondContact OD1-N 2.92Å; G182-A184 VanDerWaalsContact C-N 3.31Å; G182-S206 WeakPolarHBondContact O-CB 3.4Å
183D90Very high96.2Very high152 Ų15268.2 Ų68.281%0.81337%0.37SS*.THydrogen-bonded Turntrans-93.418.3178.3-61.1-32.7000113.1G181G181-D183 PolarHBondContact O-N 3Å
184A94.7Very high96.1Very high34 Ų3470.6 Ų70.628%0.28138%0.383SS..  trans-66.8136.9178.900000112G181 G182 C232 C233G181-A184 WeakPolarHBondContact O-CB 3.37Å; G181-A184 PolarHBondContact O-N 3.22Å; G181-A184 VanDerWaalsContact O-N 3.08Å; G182-A184 VanDerWaalsContact C-N 3.31Å; A184-C232 HydrophobicContact CB-CB 3.8Å; A184-C233 CarbonylContact C-O 3.56Å; A184-C233 VanDerWaalsContact CA-O 3.27Å; A184-C233 WeakPolarHBondContact CA-O 3.36Å; A184-C233 WeakPolarHBondContact CB-O 3.2Å
185D94.9Very high96.1Very high59 Ų5966.2 Ų66.232%0.31636%0.362SS..SBendtrans-96.3-25.2176.1-73-71.3000111.7M1 R55 C233M1-D185 HydrophobicContact CB-CB 4.43Å; M1-D185 WeakPolarHBondContact CB-O 3.49Å; M1-D185 HydrophobicContact CE-CB 3.69Å; M1-D185 WeakPolarHBondContact CG-O 3.37Å; R55-D185 IonicContact CZ-OD2 3.86Å; R55-D185 VanDerWaalsContact CZ-OD2 3.3Å; R55-D185 IonicContact NH1-OD2 2.91Å; R55-D185 PolarHBondContact NH1-OD2 3.05Å; R55-D185 IonicContact NH2-OD2 3.91Å; R55-D185 PolarHBondContact NH2-OD2 2.82Å; D185-C233 PolarHBondContact N-O 3.15Å
186L97.6Very high96.1Very high22 Ų2271.8 Ų71.812%0.11539%0.387CS..  trans-136.2132.5-175174.968.4000111.7M1 L5 I161 R162 R188 C233M1-L186 HydrophobicContact CE-CB 4.02Å; M1-L186 HydrophobicContact CG-CB 4.18Å; M1-L186 HydrophobicContact CG-CD1 4.25Å; M1-L186 HydrophobicContact SD-CB 4.27Å; M1-L186 HydrophobicContact SD-CD1 4.49Å; L5-L186 HydrophobicContact CD1-CD1 4.05Å; I161-L186 HydrophobicContact CG2-CB 4.18Å; I161-L186 HydrophobicContact CG2-CD2 4.39Å; R162-L186 HydrophobicContact CG-CD2 3.85Å; L186-R188 HydrophobicContact CD2-CG 3.9Å; L186-R188 HydrophobicContact CG-CG 3.99Å; L186-C233 HydrophobicContact CB-CB 4.03Å; L186-C233 PolarHBondContact N-O 3.07Å; L186-C233 WeakPolarHBondContact O-CB 3.31Å; L186-C233 PolarHBondContact O-N 3.2Å
187L98Very high96.1Very high44 Ų4468.6 Ų68.623%0.2337%0.373CS..EExtended strand (participates in β ladder)trans-98133.3164.9-61.2179.5000109.4L189 I201 F208 A231 C232L187-L189 HydrophobicContact CB-CD1 4.22Å; L187-I201 HydrophobicContact CD1-CD1 4.48Å; L187-I201 HydrophobicContact CD1-CG2 4.09Å; L187-F208 HydrophobicContact CD1-CB 4.22Å; L187-F208 HydrophobicContact CD1-CD1 3.92Å; L187-F208 HydrophobicContact CD1-CD2 3.82Å; L187-F208 HydrophobicContact CD1-CE1 4.23Å; L187-F208 HydrophobicContact CD1-CE2 4.14Å; L187-F208 HydrophobicContact CD1-CG 3.7Å; L187-F208 HydrophobicContact CD1-CZ 4.34Å; L187-F208 HydrophobicContact CD2-CD1 4.16Å; L187-F208 HydrophobicContact CD2-CE1 3.81Å; L187-F208 HydrophobicContact CD2-CZ 4.07Å; L187-A231 WeakPolarHBondContact CA-O 3.44Å; L187-C232 HydrophobicContact CD2-CB 4.16Å; L187-C232 VanDerWaalsContact CD2-SG 3.53Å
188R98.4Very high96.1Very high78 Ų7872.3 Ų72.329%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-120.2131.1172.9-54.4175.662.9-156.6-4.7108.8R162 F167 L186 L230 A231 C233R162-R188 PolarHBondContact O-NH1 3.47Å; F167-R188 HydrophobicContact CE1-CB 3.79Å; F167-R188 WeakPolarHBondContact CE1-O 3.16Å; F167-R188 HydrophobicContact CZ-CB 3.67Å; L186-R188 HydrophobicContact CD2-CG 3.9Å; L186-R188 HydrophobicContact CG-CG 3.99Å; R188-L230 WeakPolarHBondContact O-CA 3.41Å; R188-A231 HydrophobicContact CB-CB 4.26Å; R188-A231 PolarHBondContact N-O 3.18Å; R188-A231 PolarHBondContact O-N 2.92Å; R188-C233 VanDerWaalsContact CD-SG 3.55Å
189L98.5Very high96.1Very high36 Ų3668.2 Ų68.219%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-126135.4-179.4-63.983.9000110.2L187 L191 P199 I201 I210 F212 F228 E229 L230L187-L189 HydrophobicContact CB-CD1 4.22Å; L189-L191 HydrophobicContact CB-CD1 3.75Å; L189-L191 HydrophobicContact CD2-CD1 4.38Å; L189-P199 HydrophobicContact CD2-CB 3.88Å; L189-P199 HydrophobicContact CD2-CG 4.11Å; L189-I201 HydrophobicContact CD1-CD1 3.78Å; L189-I210 HydrophobicContact CD2-CD1 3.89Å; L189-I210 HydrophobicContact CD2-CG2 4.37Å; L189-F212 HydrophobicContact CD2-CE1 4.37Å; L189-F212 HydrophobicContact CD2-CZ 4.45Å; L189-F228 HydrophobicContact CD2-CD2 4.34Å; L189-F228 HydrophobicContact CD2-CE2 4.23Å; L189-E229 CarbonylContact C-O 3.58Å; L189-E229 VanDerWaalsContact CA-O 3.26Å; L189-E229 WeakPolarHBondContact CA-O 3.5Å; L189-L230 HydrophobicContact CD1-CD1 4.18Å; L189-L230 HydrophobicContact CG-CD1 3.9Å
190N98.5Very high96.2Very high71 Ų7169.5 Ų69.538%0.3838%0.376SS..EExtended strand (participates in β ladder)trans-110.5120.9164.8-61.7-28.8000108.7F167 F228 E229F167-N190 WeakPolarHBondContact CZ-ND2 3.36Å; F167-N190 WeakPolarHBondContact CZ-OD1 3.49Å; N190-F228 WeakPolarHBondContact O-CB 3.43Å; N190-E229 HydrophobicContact CB-CB 4.08Å; N190-E229 HydrophobicContact CB-CG 4.45Å; N190-E229 PolarHBondContact N-O 2.99Å; N190-E229 PolarHBondContact ND2-OE2 3.18Å; N190-E229 PolarHBondContact O-N 3.02Å
191L97.8Very high96.3Very high48 Ų4869.4 Ų69.425%0.25138%0.375SS..  trans-114.1152.3176-6783.2000109.2L189 L193 L197 P199 F212L189-L191 HydrophobicContact CB-CD1 3.75Å; L189-L191 HydrophobicContact CD2-CD1 4.38Å; L191-L193 PolarHBondContact O-N 2.76Å; L191-L197 HydrophobicContact CD2-CB 4.32Å; L191-P199 HydrophobicContact CD1-CG 4.46Å; L191-F212 HydrophobicContact CD2-CD1 3.64Å; L191-F212 HydrophobicContact CD2-CE1 3.58Å; L191-F212 HydrophobicContact CG-CE1 4.16Å
192S96.6Very high96.5Very high64 Ų6472.3 Ų72.345%0.44839%0.393SS..  trans-64.7129.3168.6178.90000110.2D194 S195S192-D194 PolarHBondContact O-N 2.91Å; S192-D194 PolarHBondContact OG-N 3.24Å; S192-S195 WeakPolarHBondContact O-CB 3.49Å; S192-S195 PolarHBondContact O-N 3.15Å; S192-S195 PolarHBondContact O-OG 2.95Å
193L95.8Very high96.6Very high157 Ų15773.8 Ų73.882%0.82241%0.409SS*.G310 helixtrans-61.7-36176.7-175.263.2000111.6L191 S195 Q196L191-L193 PolarHBondContact O-N 2.76Å; L193-S195 PolarHBondContact O-N 3.28Å; L193-Q196 PolarHBondContact O-N 3.43Å
194D95.2Very high96.8Very high150 Ų15073 Ų7380%0.80240%0.4SS*.G310 helixtrans-63.2-22.9-179.9-62.1-29.7000112.7S192 Q196S192-D194 PolarHBondContact O-N 2.91Å; S192-D194 PolarHBondContact OG-N 3.24Å; D194-Q196 PolarHBondContact O-N 2.93Å
195S94.8Very high96.6Very high31 Ų3180.6 Ų80.622%0.21743%0.426CS..G310 helixtrans-68.7-25176.673.40000112.7S192 L193 L197S192-S195 WeakPolarHBondContact O-CB 3.49Å; S192-S195 PolarHBondContact O-N 3.15Å; S192-S195 PolarHBondContact O-OG 2.95Å; L193-S195 PolarHBondContact O-N 3.28Å; S195-L197 WeakPolarHBondContact O-CG 3.34Å; S195-L197 PolarHBondContact O-N 2.89Å; S195-L197 VanDerWaalsContact O-N 3.08Å; S195-L197 PolarHBondContact OG-N 3.27Å
196Q96.9Very high96.6Very high122 Ų12280.2 Ų80.257%0.5743%0.428SS*.  trans48.433.2-172-58.3-171.2-5.500113.3L193 D194 L215L193-Q196 PolarHBondContact O-N 3.43Å; D194-Q196 PolarHBondContact O-N 2.93Å; Q196-L215 HydrophobicContact CB-CB 4.47Å; Q196-L215 WeakPolarHBondContact O-CB 3.32Å; Q196-L215 PolarHBondContact O-N 3.23Å
197L97.9Very high96.5Very high18 Ų1887 Ų879%0.09445%0.452CS..EExtended strand (participates in β ladder)trans-100.9149.5176.5-56.6-179.7000110.5L191 S195 F212 M213 P214 V222 L226L191-L197 HydrophobicContact CD2-CB 4.32Å; S195-L197 WeakPolarHBondContact O-CG 3.34Å; S195-L197 PolarHBondContact O-N 2.89Å; S195-L197 VanDerWaalsContact O-N 3.08Å; S195-L197 PolarHBondContact OG-N 3.27Å; L197-F212 HydrophobicContact CD1-CB 4.27Å; L197-M213 CarbonylContact C-O 3.53Å; L197-M213 VanDerWaalsContact CA-O 3.29Å; L197-M213 WeakPolarHBondContact CA-O 3.46Å; L197-P214 HydrophobicContact CD2-CB 3.97Å; L197-V222 HydrophobicContact CD1-CG1 4.45Å; L197-V222 HydrophobicContact CD2-CG2 4.08Å; L197-L226 HydrophobicContact CD1-CD1 3.94Å; L197-L226 HydrophobicContact CD1-CD2 3.68Å; L197-L226 HydrophobicContact CD1-CG 4.38Å
198Y98.1Very high96.5Very high103 Ų10385.8 Ų85.840%0.40445%0.445SS..EExtended strand (participates in β ladder)trans-125.8148.316867.4-88.4000111M213 P214Y198-M213 HydrophobicContact CD1-CB 4.33Å; Y198-M213 WeakPolarHBondContact CD1-O 3.37Å; Y198-M213 HydrophobicContact CD2-CB 4.47Å; Y198-M213 HydrophobicContact CE1-CB 3.76Å; Y198-M213 HydrophobicContact CE2-CB 3.92Å; Y198-M213 HydrophobicContact CE2-CG 4.36Å; Y198-M213 PolarHBondContact N-O 3.46Å; Y198-M213 PolarHBondContact O-N 2.96Å; Y198-P214 WeakPolarHBondContact CE1-O 3.42Å
199P98.2Very high96.5Very high45 Ų4583 Ų8329%0.29244%0.439SS..EExtended strand (participates in β ladder)trans-81.7127.7178.232.3-34.2000111.3L189 L191 I201 I210 F212L189-P199 HydrophobicContact CD2-CB 3.88Å; L189-P199 HydrophobicContact CD2-CG 4.11Å; L191-P199 HydrophobicContact CD1-CG 4.46Å; P199-I201 HydrophobicContact CB-CD1 4.34Å; P199-I201 HydrophobicContact CB-CG1 4.05Å; P199-I210 HydrophobicContact CB-CG2 3.72Å; P199-F212 HydrophobicContact CB-CD1 4.35Å; P199-F212 HydrophobicContact CB-CE1 4.15Å
200Q98.1Very high96.5Very high100 Ų10081.3 Ų81.347%0.46743%0.43SS..EExtended strand (participates in β ladder)trans-98.7106.2162.8-172-179.44700108.6R211 M213Q200-R211 WeakPolarHBondContact CA-O 3.35Å; Q200-R211 HydrophobicContact CB-CB 4.44Å; Q200-R211 WeakPolarHBondContact CB-O 3.4Å; Q200-R211 PolarHBondContact N-O 3.02Å; Q200-R211 PolarHBondContact O-N 3.32Å; Q200-M213 HydrophobicContact CB-CG 4.24Å
201I97.8Very high96.5Very high74 Ų7484.5 Ų84.538%0.37944%0.437SS..EExtended strand (participates in β ladder)trans-102.6131.4-172.3-51.4178.5000110.4L187 L189 P199 F208 A209 I210L187-I201 HydrophobicContact CD1-CD1 4.48Å; L187-I201 HydrophobicContact CD1-CG2 4.09Å; L189-I201 HydrophobicContact CD1-CD1 3.78Å; P199-I201 HydrophobicContact CB-CD1 4.34Å; P199-I201 HydrophobicContact CB-CG1 4.05Å; I201-F208 HydrophobicContact CG2-CB 4.45Å; I201-A209 WeakPolarHBondContact CA-O 3.44Å; I201-I210 HydrophobicContact CG1-CG1 4.27Å; I201-I210 HydrophobicContact CG1-CG2 4.37Å
202S96.8Very high96.5Very high75 Ų7582.4 Ų82.452%0.52443%0.425SS..EExtended strand (participates in β ladder)trans-119.4151.1168.566.70000110.6F208 A209S202-F208 CarbonylContact O-C 3.56Å; S202-F208 WeakPolarHBondContact O-CA 3.38Å; S202-F208 WeakPolarHBondContact O-CB 3.25Å; S202-A209 PolarHBondContact N-O 3.08Å; S202-A209 PolarHBondContact O-N 3.05Å
203G94.1Very high96.6Very high67 Ų6782 Ų8269%0.69142%0.417SS*.EExtended strand (participates in β ladder)trans-135142.9-176.100000112.3R207G203-R207 WeakPolarHBondContact CA-O 3.46Å
204H93.3Very high96.6Very high136 Ų13675.3 Ų75.363%0.6338%0.383SS*.EExtended strand (participates in β ladder)trans-145.2113.8172.3178.3-100.3000110.2S206 R207H204-S206 PolarHBondContact O-N 3.24Å; H204-R207 PolarHBondContact N-O 3.32Å; H204-R207 PolarHBondContact O-N 2.96Å; H204-R207 VanDerWaalsContact O-N 3.08Å
205K91.4Very high96.7Very high193 Ų19374.3 Ų74.384%0.83938%0.377SS*.THydrogen-bonded Turntrans55.5-128.4-169.2-58.2179176.6-179.40109.9R207K205-R207 VanDerWaalsContact C-N 3.33Å
206S94.1Very high96.8Very high50 Ų5075.8 Ų75.835%0.3538%0.383SS..THydrogen-bonded Turntrans-83.2-6.617768.80000113.6N180 G181 G182 H204N180-S206 WeakPolarHBondContact OD1-CB 3.46Å; N180-S206 PolarHBondContact OD1-O 3.29Å; N180-S206 PolarHBondContact OD1-OG 3.46Å; G181-S206 PolarHBondContact N-O 3.46Å; G182-S206 WeakPolarHBondContact O-CB 3.4Å; H204-S206 PolarHBondContact O-N 3.24Å
207R96.7Very high96.7Very high166 Ų16674.9 Ų74.963%0.62639%0.386SS*.EExtended strand (participates in β ladder)trans-94.4150.3-178.7-65.6-170.6178.5-148.7-0.1111.6D179 N180 G203 H204 K205D179-R207 WeakPolarHBondContact O-CA 3.44Å; N180-R207 HydrophobicContact CB-CG 4.33Å; G203-R207 WeakPolarHBondContact CA-O 3.46Å; H204-R207 PolarHBondContact N-O 3.32Å; H204-R207 PolarHBondContact O-N 2.96Å; H204-R207 VanDerWaalsContact O-N 3.08Å; K205-R207 VanDerWaalsContact C-N 3.33Å
208F97.6Very high96.5Very high17 Ų1782.2 Ų82.28%0.07542%0.419CS..EExtended strand (participates in β ladder)trans-137.3157.4174.161.4-91.8000111.2Y177 Q178 D179 L187 I201 S202 I210 L230Y177-F208 HydrophobicContact CD1-CE2 4.26Å; Y177-F208 HydrophobicContact CE1-CE2 4.09Å; Y177-F208 HydrophobicContact CE1-CZ 4.47Å; Q178-F208 WeakPolarHBondContact CA-O 3.39Å; D179-F208 HydrophobicContact CB-CE1 4.25Å; D179-F208 HydrophobicContact CB-CE2 4.17Å; D179-F208 HydrophobicContact CB-CZ 3.7Å; D179-F208 PolarHBondContact N-O 2.98Å; D179-F208 PolarHBondContact O-N 3.39Å; L187-F208 HydrophobicContact CD1-CB 4.22Å; L187-F208 HydrophobicContact CD1-CD1 3.92Å; L187-F208 HydrophobicContact CD1-CD2 3.82Å; L187-F208 HydrophobicContact CD1-CE1 4.23Å; L187-F208 HydrophobicContact CD1-CE2 4.14Å; L187-F208 HydrophobicContact CD1-CG 3.7Å; L187-F208 HydrophobicContact CD1-CZ 4.34Å; L187-F208 HydrophobicContact CD2-CD1 4.16Å; L187-F208 HydrophobicContact CD2-CE1 3.81Å; L187-F208 HydrophobicContact CD2-CZ 4.07Å; I201-F208 HydrophobicContact CG2-CB 4.45Å; S202-F208 CarbonylContact O-C 3.56Å; S202-F208 WeakPolarHBondContact O-CA 3.38Å; S202-F208 WeakPolarHBondContact O-CB 3.25Å; F208-I210 HydrophobicContact CD2-CD1 4.13Å; F208-I210 HydrophobicContact CD2-CG1 3.92Å; F208-I210 HydrophobicContact CE2-CD1 3.81Å; F208-I210 HydrophobicContact CE2-CG1 4.12Å; F208-L230 HydrophobicContact CE2-CD2 4.14Å; F208-L230 HydrophobicContact CZ-CD2 3.9Å
209A98.2Very high96.4Very high20 Ų2083 Ų8317%0.16543%0.43CS..EExtended strand (participates in β ladder)trans-127.7138.9171.400000109.2F176 Y177 I201 S202F176-A209 HydrophobicContact CE2-CB 3.91Å; F176-A209 HydrophobicContact CZ-CB 3.92Å; Y177-A209 CarbonylContact O-C 3.44Å; Y177-A209 WeakPolarHBondContact O-CA 3.45Å; I201-A209 WeakPolarHBondContact CA-O 3.44Å; S202-A209 PolarHBondContact N-O 3.08Å; S202-A209 PolarHBondContact O-N 3.05Å
210I98.5Very high96.2Very high0 Ų082.3 Ų82.30%043%0.432CS..EExtended strand (participates in β ladder)trans-116.8121.7179.2-51.4169.9000106.9F176 Y177 L189 P199 I201 F208 F212 F228F176-I210 WeakPolarHBondContact CA-O 3.35Å; Y177-I210 HydrophobicContact CD1-CD1 3.84Å; Y177-I210 HydrophobicContact CD1-CG1 4.46Å; Y177-I210 PolarHBondContact N-O 3.18Å; Y177-I210 PolarHBondContact O-N 2.66Å; L189-I210 HydrophobicContact CD2-CD1 3.89Å; L189-I210 HydrophobicContact CD2-CG2 4.37Å; P199-I210 HydrophobicContact CB-CG2 3.72Å; I201-I210 HydrophobicContact CG1-CG1 4.27Å; I201-I210 HydrophobicContact CG1-CG2 4.37Å; F208-I210 HydrophobicContact CD2-CD1 4.13Å; F208-I210 HydrophobicContact CD2-CG1 3.92Å; F208-I210 HydrophobicContact CE2-CD1 3.81Å; F208-I210 HydrophobicContact CE2-CG1 4.12Å; I210-F212 HydrophobicContact CB-CE2 4.33Å; I210-F212 HydrophobicContact CB-CZ 4.47Å; I210-F212 HydrophobicContact CG2-CD1 4.37Å; I210-F212 HydrophobicContact CG2-CD2 4.19Å; I210-F212 HydrophobicContact CG2-CE1 3.92Å; I210-F212 HydrophobicContact CG2-CE2 3.7Å; I210-F212 HydrophobicContact CG2-CZ 3.57Å; I210-F228 HydrophobicContact CD1-CE2 4.37Å; I210-F228 HydrophobicContact CD1-CZ 4.46Å
211R98.4Very high96Very high139 Ų13985.7 Ų85.753%0.52545%0.448SS..EExtended strand (participates in β ladder)trans-107.7121.1167.1-178.6178.7-69.1146.6-3.1108.4G175 Q200 M213G175-R211 CarbonylContact O-C 3.58Å; G175-R211 WeakPolarHBondContact O-CA 3.33Å; Q200-R211 WeakPolarHBondContact CA-O 3.35Å; Q200-R211 HydrophobicContact CB-CB 4.44Å; Q200-R211 WeakPolarHBondContact CB-O 3.4Å; Q200-R211 PolarHBondContact N-O 3.02Å; Q200-R211 PolarHBondContact O-N 3.32Å; R211-M213 HydrophobicContact CG-CG 4.45Å; R211-M213 HydrophobicContact CG-SD 3.81Å
212F98.4Very high95.9Very high3 Ų384.8 Ų84.81%0.01345%0.445CS..EExtended strand (participates in β ladder)trans-85.2129175.6-63.5-82.9000109.7S172 G175 L189 L191 L197 P199 I210 L226 F228S172-F212 VanDerWaalsContact CB-CE2 3.48Å; S172-F212 WeakPolarHBondContact OG-CD2 3.44Å; G175-F212 PolarHBondContact O-N 3.31Å; L189-F212 HydrophobicContact CD2-CE1 4.37Å; L189-F212 HydrophobicContact CD2-CZ 4.45Å; L191-F212 HydrophobicContact CD2-CD1 3.64Å; L191-F212 HydrophobicContact CD2-CE1 3.58Å; L191-F212 HydrophobicContact CG-CE1 4.16Å; L197-F212 HydrophobicContact CD1-CB 4.27Å; P199-F212 HydrophobicContact CB-CD1 4.35Å; P199-F212 HydrophobicContact CB-CE1 4.15Å; I210-F212 HydrophobicContact CB-CE2 4.33Å; I210-F212 HydrophobicContact CB-CZ 4.47Å; I210-F212 HydrophobicContact CG2-CD1 4.37Å; I210-F212 HydrophobicContact CG2-CD2 4.19Å; I210-F212 HydrophobicContact CG2-CE1 3.92Å; I210-F212 HydrophobicContact CG2-CE2 3.7Å; I210-F212 HydrophobicContact CG2-CZ 3.57Å; F212-L226 HydrophobicContact CB-CD2 4.08Å; F212-L226 HydrophobicContact CD1-CD2 3.6Å; F212-L226 HydrophobicContact CD2-CD2 3.81Å; F212-L226 HydrophobicContact CE1-CD2 3.9Å; F212-L226 HydrophobicContact CE2-CD2 4.12Å; F212-L226 HydrophobicContact CG-CD2 3.53Å; F212-L226 HydrophobicContact CZ-CD2 4.15Å; F212-F228 HydrophobicContact CE2-CD1 4.45Å; F212-F228 HydrophobicContact CE2-CE1 4.14Å; F212-F228 HydrophobicContact CE2-CZ 4.4Å; F212-F228 AromaticContact CZ-CD1 4Å; F212-F228 HydrophobicContact CZ-CD1 4Å; F212-F228 HydrophobicContact CZ-CD2 4.24Å; F212-F228 AromaticContact CZ-CE1 3.92Å; F212-F228 HydrophobicContact CZ-CE1 3.92Å; F212-F228 HydrophobicContact CZ-CE2 4.14Å; F212-F228 HydrophobicContact CZ-CG 4.17Å; F212-F228 AromaticContact CZ-CZ 4Å; F212-F228 HydrophobicContact CZ-CZ 4Å
213M97.6Very high95.9Very high57 Ų5783.6 Ų83.628%0.28144%0.436SS..EExtended strand (participates in β ladder)trans-121.1140.8-177.5-61-62.8-64.700109.1L197 Y198 Q200 R211L197-M213 CarbonylContact C-O 3.53Å; L197-M213 VanDerWaalsContact CA-O 3.29Å; L197-M213 WeakPolarHBondContact CA-O 3.46Å; Y198-M213 HydrophobicContact CD1-CB 4.33Å; Y198-M213 WeakPolarHBondContact CD1-O 3.37Å; Y198-M213 HydrophobicContact CD2-CB 4.47Å; Y198-M213 HydrophobicContact CE1-CB 3.76Å; Y198-M213 HydrophobicContact CE2-CB 3.92Å; Y198-M213 HydrophobicContact CE2-CG 4.36Å; Y198-M213 PolarHBondContact N-O 3.46Å; Y198-M213 PolarHBondContact O-N 2.96Å; Q200-M213 HydrophobicContact CB-CG 4.24Å; R211-M213 HydrophobicContact CG-CG 4.45Å; R211-M213 HydrophobicContact CG-SD 3.81Å
214P97.6Very high96Very high15 Ų1587.7 Ų87.710%0.09744%0.437CS..EExtended strand (participates in β ladder)trans-72.4145.4173.831.4-33000110.8L197 Y198 D216 V222L197-P214 HydrophobicContact CD2-CB 3.97Å; Y198-P214 WeakPolarHBondContact CE1-O 3.42Å; P214-D216 WeakPolarHBondContact CB-O 3.04Å; P214-V222 HydrophobicContact CG-CG2 4.43Å
215L97Very high96.2Very high130 Ų13090.2 Ų90.268%0.68144%0.441SS*.SBendtrans-63.5-46.3172.5-179.463.5000110.9Q196 T217Q196-L215 HydrophobicContact CB-CB 4.47Å; Q196-L215 WeakPolarHBondContact O-CB 3.32Å; Q196-L215 PolarHBondContact O-N 3.23Å; L215-T217 PolarHBondContact O-N 3.23Å
216D97Very high96.5Very high62 Ų6281.6 Ų81.633%0.33240%0.404SS..SBendtrans-83.898.4167-175-18.3000108.6P214 E218 N219 G220P214-D216 WeakPolarHBondContact CB-O 3.04Å; D216-E218 PolarHBondContact O-N 3.1Å; D216-E218 WeakPolarHBondContact OD1-CA 3.46Å; D216-E218 WeakPolarHBondContact OD1-CB 3.32Å; D216-E218 PolarHBondContact OD1-N 3.01Å; D216-N219 PolarHBondContact OD1-N 3.21Å; D216-N219 WeakPolarHBondContact OD2-CB 3.1Å; D216-N219 PolarHBondContact OD2-ND2 3.47Å; D216-G220 WeakPolarHBondContact O-CA 3.31Å; D216-G220 PolarHBondContact O-N 2.77Å
217T93.4Very high96.7Very high103 Ų10384.5 Ų84.563%0.63242%0.416SS*.THydrogen-bonded Turntrans-69.6-16.2179.150.30000113.8L215L215-T217 PolarHBondContact O-N 3.23Å
218E94.9Very high96.8Very high171 Ų17177 Ų7780%0.79939%0.388SS*.THydrogen-bonded Turntrans-89.4-41.2-179.6-62.9-171.416600111.7D216D216-E218 PolarHBondContact O-N 3.1Å; D216-E218 WeakPolarHBondContact OD1-CA 3.46Å; D216-E218 WeakPolarHBondContact OD1-CB 3.32Å; D216-E218 PolarHBondContact OD1-N 3.01Å
219N95.3Very high96.8Very high119 Ų11979.5 Ų79.564%0.63640%0.4SS*.THydrogen-bonded Turntrans-119.2-15.1-174.2-50.3-69.1000115D216D216-N219 PolarHBondContact OD1-N 3.21Å; D216-N219 WeakPolarHBondContact OD2-CB 3.1Å; D216-N219 PolarHBondContact OD2-ND2 3.47Å
220G93.6Very high96.8Very high32 Ų3278.8 Ų78.833%0.3339%0.393SS..  trans-71.4141.4-176.100000112.3D216D216-G220 WeakPolarHBondContact O-CA 3.31Å; D216-G220 PolarHBondContact O-N 2.77Å
221Q94.3Very high96.8Very high170 Ų17078.9 Ų78.979%0.79439%0.394SS*.  trans-109.1135-177.2-64-176.4-9.300110.7
222V96.6Very high96.8Very high55 Ų5574.3 Ų74.333%0.33338%0.383SS..  trans-94.8114.7169.2-1750000107.7G175 L197 P214G175-V222 VanDerWaalsContact CA-CG1 3.41Å; L197-V222 HydrophobicContact CD1-CG1 4.45Å; L197-V222 HydrophobicContact CD2-CG2 4.08Å; P214-V222 HydrophobicContact CG-CG2 4.43Å
223P95.9Very high96.7Very high51 Ų5174.6 Ų74.633%0.33139%0.385SS..  trans-68.7154-177.530-34.3000111.1R225 L226P223-R225 PolarHBondContact O-N 3.22Å; P223-L226 HydrophobicContact CG-CB 4.21Å; P223-L226 HydrophobicContact CG-CD1 4.24Å
224E96.7Very high96.7Very high152 Ų15275.5 Ų75.571%0.7139%0.39SS*.SBendtrans-60.4-32.3175.3-66.9-171.5166.500112.3L173 N174L173-E224 CarbonylContact C-O 3.57Å; L173-E224 VanDerWaalsContact CA-O 3.3Å; L173-E224 WeakPolarHBondContact CA-O 3.4Å; N174-E224 PolarHBondContact N-O 3.29Å
225R97.5Very high96.6Very high189 Ų18978.7 Ų78.771%0.71341%0.406SS*.EExtended strand (participates in β ladder)trans-124.4125.2172.7-71.4-162.4171.1-170.9-0.9110.2T171 S172 L173 P223T171-R225 HydrophobicContact CG2-CB 4.41Å; T171-R225 HydrophobicContact CG2-CG 4.49Å; S172-R225 WeakPolarHBondContact O-CA 3.4Å; L173-R225 HydrophobicContact CD2-CG 3.82Å; P223-R225 PolarHBondContact O-N 3.22Å
226L97.6Very high96.6Very high12 Ų1275.8 Ų75.86%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-124.1109.4172.6-179.971.2000108.9T171 S172 L197 F212 P223T171-L226 WeakPolarHBondContact CA-O 3.38Å; S172-L226 PolarHBondContact N-O 2.7Å; S172-L226 PolarHBondContact O-N 2.7Å; L197-L226 HydrophobicContact CD1-CD1 3.94Å; L197-L226 HydrophobicContact CD1-CD2 3.68Å; L197-L226 HydrophobicContact CD1-CG 4.38Å; F212-L226 HydrophobicContact CB-CD2 4.08Å; F212-L226 HydrophobicContact CD1-CD2 3.6Å; F212-L226 HydrophobicContact CD2-CD2 3.81Å; F212-L226 HydrophobicContact CE1-CD2 3.9Å; F212-L226 HydrophobicContact CE2-CD2 4.12Å; F212-L226 HydrophobicContact CG-CD2 3.53Å; F212-L226 HydrophobicContact CZ-CD2 4.15Å; P223-L226 HydrophobicContact CG-CB 4.21Å; P223-L226 HydrophobicContact CG-CD1 4.24Å
227D98.1Very high96.6Very high112 Ų11276.6 Ų76.660%0.59939%0.394SS*.EExtended strand (participates in β ladder)trans-81.2134.2170.4-69.7-17.4000109.8Q170 T171Q170-D227 WeakPolarHBondContact O-CA 3.41Å; T171-D227 WeakPolarHBondContact CB-OD1 3.44Å; T171-D227 VanDerWaalsContact CG2-OD1 3.25Å; T171-D227 WeakPolarHBondContact CG2-OD1 3.48Å; T171-D227 PolarHBondContact OG1-OD1 2.82Å
228F98.4Very high96.7Very high9 Ų975 Ų754%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-149.4171.4179.769.9-78.2000110.2Q170 Y177 L189 N190 I210 F212 L230Q170-F228 HydrophobicContact CB-CD1 4.12Å; Q170-F228 HydrophobicContact CB-CD2 4.43Å; Q170-F228 HydrophobicContact CB-CE1 3.63Å; Q170-F228 HydrophobicContact CB-CE2 3.99Å; Q170-F228 HydrophobicContact CB-CG 4.5Å; Q170-F228 HydrophobicContact CB-CZ 3.55Å; Q170-F228 HydrophobicContact CG-CE2 4.44Å; Q170-F228 HydrophobicContact CG-CZ 4.29Å; Q170-F228 PolarHBondContact N-O 3.46Å; Q170-F228 PolarHBondContact O-N 2.99Å; Q170-F228 VanDerWaalsContact O-O 3.07Å; Y177-F228 HydrophobicContact CD1-CZ 4.04Å; Y177-F228 HydrophobicContact CD2-CE1 4.04Å; Y177-F228 AromaticContact CD2-CZ 3.86Å; Y177-F228 HydrophobicContact CD2-CZ 3.86Å; Y177-F228 HydrophobicContact CE1-CZ 4.36Å; Y177-F228 HydrophobicContact CE2-CZ 4.21Å; Y177-F228 HydrophobicContact CG-CE1 4.23Å; Y177-F228 AromaticContact CG-CZ 3.76Å; Y177-F228 HydrophobicContact CG-CZ 3.76Å; L189-F228 HydrophobicContact CD2-CD2 4.34Å; L189-F228 HydrophobicContact CD2-CE2 4.23Å; N190-F228 WeakPolarHBondContact O-CB 3.43Å; I210-F228 HydrophobicContact CD1-CE2 4.37Å; I210-F228 HydrophobicContact CD1-CZ 4.46Å; F212-F228 HydrophobicContact CE2-CD1 4.45Å; F212-F228 HydrophobicContact CE2-CE1 4.14Å; F212-F228 HydrophobicContact CE2-CZ 4.4Å; F212-F228 AromaticContact CZ-CD1 4Å; F212-F228 HydrophobicContact CZ-CD1 4Å; F212-F228 HydrophobicContact CZ-CD2 4.24Å; F212-F228 AromaticContact CZ-CE1 3.92Å; F212-F228 HydrophobicContact CZ-CE1 3.92Å; F212-F228 HydrophobicContact CZ-CE2 4.14Å; F212-F228 HydrophobicContact CZ-CG 4.17Å; F212-F228 AromaticContact CZ-CZ 4Å; F212-F228 HydrophobicContact CZ-CZ 4Å; F228-L230 HydrophobicContact CD2-CB 4.41Å; F228-L230 HydrophobicContact CE2-CB 3.9Å; F228-L230 HydrophobicContact CE2-CD2 4.46Å
229E98.6Very high96.9Very high68 Ų6868.6 Ų68.632%0.31835%0.351SS..EExtended strand (participates in β ladder)trans-110.8140.1172.4-51.2-177.8135.900110.9F167 R168 L189 N190F167-E229 HydrophobicContact CB-CB 4.02Å; F167-E229 HydrophobicContact CD1-CB 3.7Å; F167-E229 HydrophobicContact CG-CB 4.17Å; R168-E229 WeakPolarHBondContact O-CA 3.49Å; L189-E229 CarbonylContact C-O 3.58Å; L189-E229 VanDerWaalsContact CA-O 3.26Å; L189-E229 WeakPolarHBondContact CA-O 3.5Å; N190-E229 HydrophobicContact CB-CB 4.08Å; N190-E229 HydrophobicContact CB-CG 4.45Å; N190-E229 PolarHBondContact N-O 2.99Å; N190-E229 PolarHBondContact ND2-OE2 3.18Å; N190-E229 PolarHBondContact O-N 3.02Å
230L98.4Very high97Very high5 Ų565 Ų653%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-129.8134.3-179.5-177.663.5000110.8R168 Q170 Y177 R188 L189 F208 F228R168-L230 PolarHBondContact N-O 3.22Å; R168-L230 PolarHBondContact O-N 3.44Å; Q170-L230 HydrophobicContact CG-CB 3.74Å; Q170-L230 HydrophobicContact CG-CD2 4.23Å; Y177-L230 HydrophobicContact CE1-CD2 3.7Å; R188-L230 WeakPolarHBondContact O-CA 3.41Å; L189-L230 HydrophobicContact CD1-CD1 4.18Å; L189-L230 HydrophobicContact CG-CD1 3.9Å; F208-L230 HydrophobicContact CE2-CD2 4.14Å; F208-L230 HydrophobicContact CZ-CD2 3.9Å; F228-L230 HydrophobicContact CD2-CB 4.41Å; F228-L230 HydrophobicContact CE2-CB 3.9Å; F228-L230 HydrophobicContact CE2-CD2 4.46Å
231A98.1Very high97.2Very high2 Ų267.5 Ų67.52%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-125132.9165.500000110.1A165 F167 L187 R188A165-A231 HydrophobicContact CB-CB 4.42Å; F167-A231 HydrophobicContact CD1-CB 4.01Å; F167-A231 HydrophobicContact CE1-CB 4.25Å; F167-A231 HydrophobicContact CG-CB 4.27Å; L187-A231 WeakPolarHBondContact CA-O 3.44Å; R188-A231 HydrophobicContact CB-CB 4.26Å; R188-A231 PolarHBondContact N-O 3.18Å; R188-A231 PolarHBondContact O-N 2.92Å
232C97.6Very high97.5Very high43 Ų4359 Ų5929%0.29129%0.292SS..EExtended strand (participates in β ladder)trans-106.5100.1173.6-58.40000107.9A165 A184 L187A165-C232 VanDerWaalsContact CB-O 3.24Å; A165-C232 WeakPolarHBondContact CB-O 3.45Å; A184-C232 HydrophobicContact CB-CB 3.8Å; L187-C232 HydrophobicContact CD2-CB 4.16Å; L187-C232 VanDerWaalsContact CD2-SG 3.53Å
233C96.4Very high97.6Very high10 Ų1059.4 Ų59.47%0.06829%0.289CS..  trans-97.20-168.9-69.30000113.8I161 S164 A184 D185 L186 R188I161-C233 HydrophobicContact CG2-CB 3.81Å; I161-C233 VanDerWaalsContact O-CB 3.22Å; I161-C233 WeakPolarHBondContact O-CB 3.48Å; I161-C233 PolarHBondContact O-SG 3.31Å; I161-C233 VanDerWaalsContact O-SG 3.42Å; S164-C233 PolarHBondContact OG-OXT 3.42Å; S164-C233 VanDerWaalsContact OG-OXT 3.08Å; A184-C233 CarbonylContact C-O 3.56Å; A184-C233 VanDerWaalsContact CA-O 3.27Å; A184-C233 WeakPolarHBondContact CA-O 3.36Å; A184-C233 WeakPolarHBondContact CB-O 3.2Å; D185-C233 PolarHBondContact N-O 3.15Å; L186-C233 HydrophobicContact CB-CB 4.03Å; L186-C233 PolarHBondContact N-O 3.07Å; L186-C233 WeakPolarHBondContact O-CB 3.31Å; L186-C233 PolarHBondContact O-N 3.2Å; R188-C233 VanDerWaalsContact CD-SG 3.55Å

Retrieved 233 of 233 residues in 67.1 ms (Link to these results)

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