A0A4W5RT06_9TELE Loading...

Sine oculis homeobox homolog 1a

AlphaFold DB , UniProt , Accession A0A4W5RT06, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 284 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
1M32.8Very low56.1Low237 Ų237110.5 Ų110.5100%1.16764%0.644SS**  0110.10-62.7-177.6-157.900107.6I3M1-I3 PolarHBondContact O-N 3.44Å
2S39Very low58.6Low114 Ų114112.2 Ų112.280%0.79764%0.641SS**  trans-79105.7175.544.20000109L4S2-L4 PolarHBondContact O-N 3.45Å
3I40.1Very low60.9Low160 Ų160110.5 Ų110.582%0.82162%0.624SS**  trans-70.7106.4174.3-59.8167.1000106.8M1M1-I3 PolarHBondContact O-N 3.44Å
4L45.8Very low62.9Low106 Ų106102.6 Ų102.656%0.55558%0.579SS**PPolyproline II helixtrans-76.5127.7168.9-75.2167.3000107.9S2 W35S2-L4 PolarHBondContact O-N 3.45Å; L4-W35 HydrophobicContact CD1-CZ3 4.18Å
5P49.8Very low64.7Low104 Ų10496.5 Ų96.568%0.67555%0.547SS*.PPolyproline II helixtrans-63.6144.1179.225.8-32.1000110.6F7P5-F7 PolarHBondContact O-N 3.25Å; P5-F7 VanDerWaalsContact O-N 3.16Å
6S49.9Very low66.3Low130 Ų13095.4 Ų95.491%0.90955%0.546SS*.PPolyproline II helixtrans-52.2118.1176.5-174.30000110.4G8S6-G8 PolarHBondContact O-N 3.42Å
7F59.2Low67.8Low69 Ų6992.4 Ų92.430%0.30353%0.53SS..  trans-80.1115.4-164.2-143.2-100.6000111.3P5 F9 V14 F33 L37 P38P5-F7 PolarHBondContact O-N 3.25Å; P5-F7 VanDerWaalsContact O-N 3.16Å; F7-F9 HydrophobicContact CD1-CB 4.41Å; F7-F9 AromaticContact CD1-CD2 3.76Å; F7-F9 HydrophobicContact CD1-CD2 3.76Å; F7-F9 HydrophobicContact CE1-CB 4.22Å; F7-F9 AromaticContact CE1-CD2 3.43Å; F7-F9 HydrophobicContact CE1-CD2 3.43Å; F7-F9 VanDerWaalsContact CE1-CD2 3.43Å; F7-F9 HydrophobicContact CE1-CE2 4.25Å; F7-F9 HydrophobicContact CE1-CG 4.25Å; F7-F9 HydrophobicContact CE2-CD2 4.25Å; F7-F9 HydrophobicContact CE2-CE2 4.32Å; F7-F9 HydrophobicContact CG-CD2 4.31Å; F7-F9 AromaticContact CZ-CD2 3.7Å; F7-F9 HydrophobicContact CZ-CD2 3.7Å; F7-F9 HydrophobicContact CZ-CE2 4.06Å; F7-V14 HydrophobicContact CE1-CG2 4.49Å; F7-F33 HydrophobicContact CZ-CD2 4.36Å; F7-F33 AromaticContact CZ-CE2 3.79Å; F7-F33 HydrophobicContact CZ-CE2 3.79Å; F7-F33 HydrophobicContact CZ-CZ 4.49Å; F7-L37 HydrophobicContact CE1-CD2 3.45Å; F7-L37 VanDerWaalsContact CE1-CD2 3.45Å; F7-L37 HydrophobicContact CZ-CD2 3.64Å; F7-P38 HydrophobicContact CD1-CG 4.31Å
8G62.4Low69.1Low72 Ų7287.3 Ų87.374%0.74250%0.5SS*.  trans-121.150.6-177.900000113.2S6S6-G8 PolarHBondContact O-N 3.42Å
9F70.4Confident70.2Confident107 Ų10785.1 Ų85.147%0.46949%0.485SS..  trans-103137.4174.6-70-76.5000111.2F7 Q13 V14F7-F9 HydrophobicContact CD1-CB 4.41Å; F7-F9 AromaticContact CD1-CD2 3.76Å; F7-F9 HydrophobicContact CD1-CD2 3.76Å; F7-F9 HydrophobicContact CE1-CB 4.22Å; F7-F9 AromaticContact CE1-CD2 3.43Å; F7-F9 HydrophobicContact CE1-CD2 3.43Å; F7-F9 VanDerWaalsContact CE1-CD2 3.43Å; F7-F9 HydrophobicContact CE1-CE2 4.25Å; F7-F9 HydrophobicContact CE1-CG 4.25Å; F7-F9 HydrophobicContact CE2-CD2 4.25Å; F7-F9 HydrophobicContact CE2-CE2 4.32Å; F7-F9 HydrophobicContact CG-CD2 4.31Å; F7-F9 AromaticContact CZ-CD2 3.7Å; F7-F9 HydrophobicContact CZ-CD2 3.7Å; F7-F9 HydrophobicContact CZ-CE2 4.06Å; F9-Q13 VanDerWaalsContact CA-OE1 3.31Å; F9-Q13 HydrophobicContact CB-CB 4.29Å; F9-Q13 HydrophobicContact CD1-CB 3.98Å; F9-V14 HydrophobicContact CB-CG2 3.66Å
10T84.3Confident71.4Confident66 Ų6685.3 Ų85.341%0.40549%0.488SS..  trans-72.2164.4168.880.40000110.7E12 Q13 V14T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 VanDerWaalsContact CB-OE2 3.26Å; T10-E12 WeakPolarHBondContact CB-OE2 3.48Å; T10-E12 PolarHBondContact O-N 3.24Å; T10-E12 PolarHBondContact OG1-OE2 2.73Å; T10-Q13 PolarHBondContact O-N 3.49Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.41Å; T10-Q13 PolarHBondContact OG1-N 3.38Å; T10-V14 WeakPolarHBondContact O-CG2 3.37Å; T10-V14 PolarHBondContact O-N 3.41Å
11Q83.7Confident72.4Confident51 Ų5182.3 Ų82.324%0.23847%0.471CS..Hα-helixtrans-60.7-38.7178.7-171.2-177.214.500111.9V14 A15 H42 L43 N46Q11-V14 PolarHBondContact O-N 2.86Å; Q11-A15 WeakPolarHBondContact O-CB 3.42Å; Q11-A15 PolarHBondContact O-N 2.93Å; Q11-H42 PolarHBondContact NE2-CD2 3.09Å; Q11-H42 PolarHBondContact NE2-O 3.07Å; Q11-H42 PolarHBondContact OE1-CD2 2.91Å; Q11-H42 VanDerWaalsContact OE1-CD2 3.29Å; Q11-H42 PolarHBondContact OE1-NE2 3.07Å; Q11-L43 HydrophobicContact CB-CD1 4.42Å; Q11-L43 HydrophobicContact CG-CD1 4.13Å; Q11-N46 HydrophobicContact CG-CB 4.21Å; Q11-N46 WeakPolarHBondContact CG-ND2 3.17Å; Q11-N46 PolarHBondContact NE2-ND2 2.9Å; Q11-N46 VanDerWaalsContact NE2-ND2 3.18Å
12E85.3Confident75.1Confident130 Ų13072.6 Ų72.661%0.60742%0.422SS*.Hα-helixtrans-66.3-39.4177.4-55.577.4-163.900111.3T10 A15 C16T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 VanDerWaalsContact CB-OE2 3.26Å; T10-E12 WeakPolarHBondContact CB-OE2 3.48Å; T10-E12 PolarHBondContact O-N 3.24Å; T10-E12 PolarHBondContact OG1-OE2 2.73Å; E12-A15 PolarHBondContact O-N 3.26Å; E12-C16 VanDerWaalsContact O-CB 3.29Å; E12-C16 WeakPolarHBondContact O-CB 3.29Å; E12-C16 PolarHBondContact O-N 3.22Å
13Q88.6Confident77.6Confident90 Ų9074.7 Ų74.742%0.42142%0.42SS..Hα-helixtrans-65.7-44.1176.7-69.2172-20.600111.2F9 T10 A15 C16 V17F9-Q13 VanDerWaalsContact CA-OE1 3.31Å; F9-Q13 HydrophobicContact CB-CB 4.29Å; F9-Q13 HydrophobicContact CD1-CB 3.98Å; T10-Q13 PolarHBondContact O-N 3.49Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.41Å; T10-Q13 PolarHBondContact OG1-N 3.38Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.34Å; Q13-C16 PolarHBondContact O-N 2.94Å; Q13-V17 VanDerWaalsContact O-CG2 3.3Å; Q13-V17 WeakPolarHBondContact O-CG2 3.45Å; Q13-V17 PolarHBondContact O-N 2.69Å
14V89.8Confident79.9Confident0 Ų070.1 Ų70.10%041%0.412CS..Hα-helixtrans-62.8-42.7175.6175.50000111.1F7 F9 T10 Q11 V17 C18 F33 L37 L43 V49F7-V14 HydrophobicContact CE1-CG2 4.49Å; F9-V14 HydrophobicContact CB-CG2 3.66Å; T10-V14 WeakPolarHBondContact O-CG2 3.37Å; T10-V14 PolarHBondContact O-N 3.41Å; Q11-V14 PolarHBondContact O-N 2.86Å; V14-V17 PolarHBondContact O-N 2.67Å; V14-C18 PolarHBondContact O-N 2.88Å; V14-C18 PolarHBondContact O-SG 3.04Å; V14-F33 HydrophobicContact CB-CZ 4.43Å; V14-F33 HydrophobicContact CG1-CE1 3.91Å; V14-F33 HydrophobicContact CG1-CZ 4Å; V14-F33 HydrophobicContact CG2-CZ 4.35Å; V14-L37 HydrophobicContact CG1-CD1 3.84Å; V14-L37 HydrophobicContact CG1-CD2 3.81Å; V14-L37 HydrophobicContact CG2-CD2 4.1Å; V14-L43 HydrophobicContact CB-CD1 3.82Å; V14-L43 HydrophobicContact CG1-CD1 3.83Å; V14-L43 HydrophobicContact CG1-CD2 4.49Å; V14-L43 HydrophobicContact CG1-CG 4.44Å; V14-L43 HydrophobicContact CG2-CD1 4Å; V14-L43 HydrophobicContact CG2-CD2 4.4Å; V14-V49 HydrophobicContact CG1-CG2 3.79Å
15A88.9Confident82Confident12 Ų1267.7 Ų67.710%0.09941%0.412CS..Hα-helixtrans-60.3-47.3175.600000111.5Q11 E12 Q13 V17 C18 E19Q11-A15 WeakPolarHBondContact O-CB 3.42Å; Q11-A15 PolarHBondContact O-N 2.93Å; E12-A15 PolarHBondContact O-N 3.26Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.34Å; A15-V17 PolarHBondContact O-N 3.33Å; A15-C18 WeakPolarHBondContact O-CB 3.49Å; A15-C18 PolarHBondContact O-N 3.48Å; A15-E19 PolarHBondContact O-N 3.22Å
16C90.9Very high83.9Confident78 Ų7866.5 Ų66.553%0.52740%0.4SS..Hα-helixtrans-58.3-47.8176.8-177.10000111.9E12 Q13 C18 E19 V20E12-C16 VanDerWaalsContact O-CB 3.29Å; E12-C16 WeakPolarHBondContact O-CB 3.29Å; E12-C16 PolarHBondContact O-N 3.22Å; Q13-C16 PolarHBondContact O-N 2.94Å; C16-C18 VanDerWaalsContact C-N 3.29Å; C16-C18 PolarHBondContact O-N 3.41Å; C16-E19 PolarHBondContact O-N 3.43Å; C16-E19 VanDerWaalsContact O-N 3.16Å; C16-V20 WeakPolarHBondContact O-CG2 3.44Å; C16-V20 PolarHBondContact O-N 3.25Å
17V91.3Very high85.9Confident45 Ų4562 Ų6227%0.27337%0.366SS..Hα-helixtrans-60.2-40.4176.9173.30000111.3Q13 V14 A15 V20 L21 F33Q13-V17 VanDerWaalsContact O-CG2 3.3Å; Q13-V17 WeakPolarHBondContact O-CG2 3.45Å; Q13-V17 PolarHBondContact O-N 2.69Å; V14-V17 PolarHBondContact O-N 2.67Å; A15-V17 PolarHBondContact O-N 3.33Å; V17-V20 PolarHBondContact O-N 3.35Å; V17-L21 HydrophobicContact CG1-CD1 3.75Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.25Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.31Å; V17-L21 PolarHBondContact O-N 3.34Å; V17-F33 HydrophobicContact CB-CE1 3.99Å; V17-F33 HydrophobicContact CB-CE2 4.49Å; V17-F33 HydrophobicContact CB-CZ 3.84Å; V17-F33 HydrophobicContact CG1-CD1 3.95Å; V17-F33 HydrophobicContact CG1-CD2 4.18Å; V17-F33 HydrophobicContact CG1-CE1 3.62Å; V17-F33 HydrophobicContact CG1-CE2 3.87Å; V17-F33 HydrophobicContact CG1-CG 4.21Å; V17-F33 HydrophobicContact CG1-CZ 3.58Å; V17-F33 HydrophobicContact CG2-CZ 4.46Å
18C92.1Very high87.5Confident0 Ų062.7 Ų62.70%037%0.37CS..Hα-helixtrans-60.7-44.6175.6-71.10000111.9V14 A15 C16 Q22 L30 A52V14-C18 PolarHBondContact O-N 2.88Å; V14-C18 PolarHBondContact O-SG 3.04Å; A15-C18 WeakPolarHBondContact O-CB 3.49Å; A15-C18 PolarHBondContact O-N 3.48Å; C16-C18 VanDerWaalsContact C-N 3.29Å; C16-C18 PolarHBondContact O-N 3.41Å; C18-Q22 WeakPolarHBondContact O-CB 3.14Å; C18-Q22 WeakPolarHBondContact O-CG 3.47Å; C18-Q22 PolarHBondContact O-N 3.29Å; C18-Q22 VanDerWaalsContact O-N 3.11Å; C18-Q22 PolarHBondContact O-NE2 3.08Å; C18-L30 HydrophobicContact CB-CD1 4.46Å; C18-A52 HydrophobicContact CB-CB 3.94Å
19E90.3Very high88.9Confident45 Ų4567 Ų6721%0.2136%0.364CS..Hα-helixtrans-65.6-46.5178.9-66.8-55.5127.600112A15 C16 L21 Q22 Q23 K51A15-E19 PolarHBondContact O-N 3.22Å; C16-E19 PolarHBondContact O-N 3.43Å; C16-E19 VanDerWaalsContact O-N 3.16Å; E19-L21 PolarHBondContact O-N 2.96Å; E19-Q22 PolarHBondContact O-N 3.06Å; E19-Q23 WeakPolarHBondContact O-CG 3.37Å; E19-Q23 PolarHBondContact O-N 2.75Å; E19-K51 WeakPolarHBondContact OE1-CE 3.32Å; E19-K51 IonicContact OE1-NZ 3.85Å; E19-K51 PolarHBondContact OE1-NZ 3.28Å; E19-K51 IonicContact OE2-NZ 3.49Å; E19-K51 PolarHBondContact OE2-NZ 2.88Å
20V93.6Very high89.9Confident90 Ų9061.9 Ų61.955%0.54534%0.341SS..Hα-helixtrans-62.3-44.9-179.7174.60000111.4C16 V17 Q22 Q23 G24C16-V20 WeakPolarHBondContact O-CG2 3.44Å; C16-V20 PolarHBondContact O-N 3.25Å; V17-V20 PolarHBondContact O-N 3.35Å; V20-Q22 VanDerWaalsContact C-N 3.31Å; V20-Q22 PolarHBondContact O-N 3.11Å; V20-Q23 PolarHBondContact O-N 3.03Å; V20-G24 PolarHBondContact O-N 3.38Å
21L92.1Very high90.3Very high23 Ų2358.9 Ų58.912%0.1232%0.323CS..Hα-helixtrans-66.9-33.1178.9-70.9177.1000112.5V17 E19 G25 N26 R29 L30 F33V17-L21 HydrophobicContact CG1-CD1 3.75Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.25Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.31Å; V17-L21 PolarHBondContact O-N 3.34Å; E19-L21 PolarHBondContact O-N 2.96Å; L21-G25 PolarHBondContact O-N 3.14Å; L21-N26 PolarHBondContact O-N 3.34Å; L21-R29 HydrophobicContact CD2-CB 4.44Å; L21-R29 HydrophobicContact CD2-CG 4.15Å; L21-L30 HydrophobicContact CB-CB 4.17Å; L21-L30 HydrophobicContact CB-CD1 4Å; L21-L30 HydrophobicContact CD1-CB 4.39Å; L21-L30 HydrophobicContact CD1-CD1 4.08Å; L21-F33 HydrophobicContact CD1-CB 4.25Å; L21-F33 HydrophobicContact CD1-CD1 4.48Å; L21-F33 HydrophobicContact CD1-CG 4.44Å
22Q90.6Very high90.7Very high33 Ų3364.2 Ų64.215%0.15434%0.341CS..Hα-helixtrans-68-45.4173.3-76.9172.388.500111.8C18 E19 V20 G24 G25 L30C18-Q22 WeakPolarHBondContact O-CB 3.14Å; C18-Q22 WeakPolarHBondContact O-CG 3.47Å; C18-Q22 PolarHBondContact O-N 3.29Å; C18-Q22 VanDerWaalsContact O-N 3.11Å; C18-Q22 PolarHBondContact O-NE2 3.08Å; E19-Q22 PolarHBondContact O-N 3.06Å; V20-Q22 VanDerWaalsContact C-N 3.31Å; V20-Q22 PolarHBondContact O-N 3.11Å; Q22-G24 VanDerWaalsContact C-N 3.34Å; Q22-G25 PolarHBondContact O-N 3.38Å; Q22-G25 VanDerWaalsContact O-N 3.17Å; Q22-L30 HydrophobicContact CG-CD2 3.52Å
23Q90.6Very high91Very high158 Ų15859.3 Ų59.374%0.73832%0.318SS*.Hα-helixtrans-64.9-38.4178.6-71.2176.816.600112E19 V20 G25E19-Q23 WeakPolarHBondContact O-CG 3.37Å; E19-Q23 PolarHBondContact O-N 2.75Å; V20-Q23 PolarHBondContact O-N 3.03Å; Q23-G25 PolarHBondContact O-N 3.38Å
24G88.8Confident91Very high64 Ų6455.9 Ų55.966%0.6630%0.303SS*.THydrogen-bonded Turntrans-74.7-1.1175.200000114.8V20 Q22 N26V20-G24 PolarHBondContact O-N 3.38Å; Q22-G24 VanDerWaalsContact C-N 3.34Å; G24-N26 PolarHBondContact O-N 2.97Å; G24-N26 VanDerWaalsContact O-N 3.13Å
25G88.7Confident91Very high54 Ų5465.9 Ų65.956%0.55734%0.34SS*.THydrogen-bonded Turntrans67.79.1177.900000115.3L21 Q22 Q23 L27L21-G25 PolarHBondContact O-N 3.14Å; Q22-G25 PolarHBondContact O-N 3.38Å; Q22-G25 VanDerWaalsContact O-N 3.17Å; Q23-G25 PolarHBondContact O-N 3.38Å; G25-L27 VanDerWaalsContact C-N 3.31Å; G25-L27 PolarHBondContact O-N 3.08Å
26N90.8Very high91Very high79 Ų7966.7 Ų66.742%0.42235%0.346SS..  trans-87.969-175.4-158.7-35.6000111.4L21 G24 E28 R29 L30L21-N26 PolarHBondContact O-N 3.34Å; G24-N26 PolarHBondContact O-N 2.97Å; G24-N26 VanDerWaalsContact O-N 3.13Å; N26-E28 VanDerWaalsContact C-N 3.31Å; N26-E28 PolarHBondContact O-N 2.91Å; N26-R29 HydrophobicContact CB-CB 4.35Å; N26-R29 PolarHBondContact O-N 3.31Å; N26-R29 WeakPolarHBondContact OD1-CB 3.44Å; N26-R29 PolarHBondContact OD1-N 3.13Å; N26-L30 PolarHBondContact O-N 3.02Å
27L91.5Very high90.8Very high37 Ų3763.7 Ų63.719%0.19432%0.324CS..Hα-helixtrans-67.7-28.9-172-57.8-175.6000113.3G25 L30 G31 V55 H59G25-L27 VanDerWaalsContact C-N 3.31Å; G25-L27 PolarHBondContact O-N 3.08Å; L27-L30 HydrophobicContact CD2-CD2 4.26Å; L27-L30 PolarHBondContact O-N 3.23Å; L27-G31 PolarHBondContact O-N 3.14Å; L27-V55 HydrophobicContact CD1-CG1 4.22Å; L27-V55 HydrophobicContact CD2-CG1 3.58Å; L27-H59 HydrophobicContact CD1-CB 3.9Å
28E92.3Very high90.4Very high83 Ų8364.3 Ų64.339%0.38833%0.329SS..Hα-helixtrans-69.4-39.5175.3-71.5-54.8133.400112.4N26 G31 R32 H59N26-E28 VanDerWaalsContact C-N 3.31Å; N26-E28 PolarHBondContact O-N 2.91Å; E28-G31 PolarHBondContact O-N 3.05Å; E28-R32 PolarHBondContact O-N 2.94Å; E28-R32 PolarHBondContact O-NH1 2.59Å; E28-H59 IonicContact OE1-CE1 3.87Å; E28-H59 PolarHBondContact OE1-CE1 3.06Å; E28-H59 IonicContact OE1-ND1 2.81Å; E28-H59 PolarHBondContact OE1-ND1 3.26Å
29R91.7Very high89.5Confident161 Ų16169.5 Ų69.561%0.60837%0.372SS*.Hα-helixtrans-69.3-39.4173.5-171.1172.2-177171.60.8111L21 N26 G31 R32 F33L21-R29 HydrophobicContact CD2-CB 4.44Å; L21-R29 HydrophobicContact CD2-CG 4.15Å; N26-R29 HydrophobicContact CB-CB 4.35Å; N26-R29 PolarHBondContact O-N 3.31Å; N26-R29 WeakPolarHBondContact OD1-CB 3.44Å; N26-R29 PolarHBondContact OD1-N 3.13Å; R29-G31 VanDerWaalsContact C-N 3.34Å; R29-G31 PolarHBondContact O-N 3.04Å; R29-R32 PolarHBondContact O-N 3.15Å; R29-F33 WeakPolarHBondContact O-CB 3.39Å; R29-F33 PolarHBondContact O-N 3.47Å
30L92.4Very high88.8Confident0 Ų070.1 Ų70.10%038%0.381CS..Hα-helixtrans-58.8-45173.6-176.860.4000111.8C18 L21 Q22 N26 L27 R32 F33 L34 A52 V56C18-L30 HydrophobicContact CB-CD1 4.46Å; L21-L30 HydrophobicContact CB-CB 4.17Å; L21-L30 HydrophobicContact CB-CD1 4Å; L21-L30 HydrophobicContact CD1-CB 4.39Å; L21-L30 HydrophobicContact CD1-CD1 4.08Å; Q22-L30 HydrophobicContact CG-CD2 3.52Å; N26-L30 PolarHBondContact O-N 3.02Å; L27-L30 HydrophobicContact CD2-CD2 4.26Å; L27-L30 PolarHBondContact O-N 3.23Å; L30-R32 PolarHBondContact O-N 3.28Å; L30-F33 PolarHBondContact O-N 2.89Å; L30-L34 HydrophobicContact CD1-CD1 4.4Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CG-CD1 4.14Å; L30-L34 HydrophobicContact CG-CG 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.47Å; L30-A52 HydrophobicContact CD1-CB 3.99Å; L30-A52 HydrophobicContact CD2-CB 4.03Å; L30-A52 HydrophobicContact CG-CB 4.31Å; L30-V56 HydrophobicContact CB-CG2 4.17Å; L30-V56 HydrophobicContact CD2-CG2 3.8Å; L30-V56 HydrophobicContact CG-CG2 3.78Å
31G91.9Very high88Confident3 Ų371.9 Ų71.93%0.03139%0.387CS..Hα-helixtrans-61.7-39.2177.500000113.5L27 E28 R29 W35L27-G31 PolarHBondContact O-N 3.14Å; E28-G31 PolarHBondContact O-N 3.05Å; R29-G31 VanDerWaalsContact C-N 3.34Å; R29-G31 PolarHBondContact O-N 3.04Å; G31-W35 PolarHBondContact O-N 3.02Å
32R92.1Very high87.2Confident163 Ų16376.7 Ų76.762%0.61541%0.409SS*.Hα-helixtrans-68.9-42.6174.6-69.2-176.6-17389.2-5.1111.9E28 R29 L30 W35 S36E28-R32 PolarHBondContact O-N 2.94Å; E28-R32 PolarHBondContact O-NH1 2.59Å; R29-R32 PolarHBondContact O-N 3.15Å; L30-R32 PolarHBondContact O-N 3.28Å; R32-W35 PolarHBondContact O-N 3.09Å; R32-S36 PolarHBondContact O-N 3.48Å
33F91.3Very high86.7Confident28 Ų2875.8 Ų75.812%0.12341%0.405CS..Hα-helixtrans-59.3-48.9176.8175.8-108.9000111.4F7 V14 V17 L21 R29 L30 W35 S36 L37F7-F33 HydrophobicContact CZ-CD2 4.36Å; F7-F33 AromaticContact CZ-CE2 3.79Å; F7-F33 HydrophobicContact CZ-CE2 3.79Å; F7-F33 HydrophobicContact CZ-CZ 4.49Å; V14-F33 HydrophobicContact CB-CZ 4.43Å; V14-F33 HydrophobicContact CG1-CE1 3.91Å; V14-F33 HydrophobicContact CG1-CZ 4Å; V14-F33 HydrophobicContact CG2-CZ 4.35Å; V17-F33 HydrophobicContact CB-CE1 3.99Å; V17-F33 HydrophobicContact CB-CE2 4.49Å; V17-F33 HydrophobicContact CB-CZ 3.84Å; V17-F33 HydrophobicContact CG1-CD1 3.95Å; V17-F33 HydrophobicContact CG1-CD2 4.18Å; V17-F33 HydrophobicContact CG1-CE1 3.62Å; V17-F33 HydrophobicContact CG1-CE2 3.87Å; V17-F33 HydrophobicContact CG1-CG 4.21Å; V17-F33 HydrophobicContact CG1-CZ 3.58Å; V17-F33 HydrophobicContact CG2-CZ 4.46Å; L21-F33 HydrophobicContact CD1-CB 4.25Å; L21-F33 HydrophobicContact CD1-CD1 4.48Å; L21-F33 HydrophobicContact CD1-CG 4.44Å; R29-F33 WeakPolarHBondContact O-CB 3.39Å; R29-F33 PolarHBondContact O-N 3.47Å; L30-F33 PolarHBondContact O-N 2.89Å; F33-W35 VanDerWaalsContact C-N 3.26Å; F33-W35 PolarHBondContact O-N 3.47Å; F33-S36 PolarHBondContact O-N 3.48Å; F33-S36 PolarHBondContact O-OG 3.35Å; F33-L37 HydrophobicContact CE1-CD2 4.06Å; F33-L37 HydrophobicContact CE2-CD2 4.17Å; F33-L37 HydrophobicContact CZ-CD2 3.83Å; F33-L37 PolarHBondContact O-N 3.29Å
34L90.4Very high86.3Confident17 Ų1770.9 Ų70.99%0.08938%0.382CS..Hα-helixtrans-60-34.5177.2-70.8173000113L30 L37 V49 A52 K53 V56L30-L34 HydrophobicContact CD1-CD1 4.4Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CG-CD1 4.14Å; L30-L34 HydrophobicContact CG-CG 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.47Å; L34-L37 HydrophobicContact CD2-CD1 3.98Å; L34-V49 HydrophobicContact CD2-CG1 3.97Å; L34-A52 HydrophobicContact CD1-CB 4.06Å; L34-A52 HydrophobicContact CD2-CB 4.19Å; L34-K53 HydrophobicContact CD1-CG 3.86Å; L34-K53 HydrophobicContact CD2-CG 4.18Å; L34-V56 HydrophobicContact CD1-CB 4.38Å; L34-V56 HydrophobicContact CD1-CG2 3.9Å
35W89.3Confident86.1Confident210 Ų21074.5 Ų74.580%0.79538%0.379SS*.Hα-helixtrans-72.3-30.3175.8-174.981.5000112.7L4 G31 R32 F33 L37L4-W35 HydrophobicContact CD1-CZ3 4.18Å; G31-W35 PolarHBondContact O-N 3.02Å; R32-W35 PolarHBondContact O-N 3.09Å; F33-W35 VanDerWaalsContact C-N 3.26Å; F33-W35 PolarHBondContact O-N 3.47Å; W35-L37 VanDerWaalsContact C-N 3.29Å; W35-L37 PolarHBondContact O-N 3.06Å
36S88.8Confident86.1Confident30 Ų3073.3 Ų73.321%0.2136%0.36CS..Hα-helixtrans-78.3-9.2177.369.20000114.5R32 F33R32-S36 PolarHBondContact O-N 3.48Å; F33-S36 PolarHBondContact O-N 3.48Å; F33-S36 PolarHBondContact O-OG 3.35Å
37L86.2Confident86.1Confident14 Ų1471.4 Ų71.47%0.07335%0.349CS..SBendtrans-67139.4-179.1-65.4-177.6000111F7 V14 F33 L34 W35 L43 V49F7-L37 HydrophobicContact CE1-CD2 3.45Å; F7-L37 VanDerWaalsContact CE1-CD2 3.45Å; F7-L37 HydrophobicContact CZ-CD2 3.64Å; V14-L37 HydrophobicContact CG1-CD1 3.84Å; V14-L37 HydrophobicContact CG1-CD2 3.81Å; V14-L37 HydrophobicContact CG2-CD2 4.1Å; F33-L37 HydrophobicContact CE1-CD2 4.06Å; F33-L37 HydrophobicContact CE2-CD2 4.17Å; F33-L37 HydrophobicContact CZ-CD2 3.83Å; F33-L37 PolarHBondContact O-N 3.29Å; L34-L37 HydrophobicContact CD2-CD1 3.98Å; W35-L37 VanDerWaalsContact C-N 3.29Å; W35-L37 PolarHBondContact O-N 3.06Å; L37-L43 HydrophobicContact CB-CD2 4.15Å; L37-L43 HydrophobicContact CD1-CD2 4.18Å; L37-L43 HydrophobicContact CD2-CD2 4.21Å; L37-L43 HydrophobicContact CG-CD2 4.41Å; L37-V49 HydrophobicContact CD1-CG1 4.16Å
38P82.9Confident86.2Confident59 Ų5970.9 Ų70.938%0.38335%0.348SS..  trans-64.1150176.127.5-34.4000111F7 C40 L43 H44F7-P38 HydrophobicContact CD1-CG 4.31Å; P38-C40 PolarHBondContact O-N 2.83Å; P38-L43 HydrophobicContact CG-CD2 4.35Å; P38-H44 PolarHBondContact O-CE1 3.2Å
39A73.5Confident86.2Confident108 Ų10866.9 Ų66.989%0.89333%0.33SS*.  trans-71.470.7175.600000111
40C75.7Confident86.4Confident59 Ų5959.7 Ų59.740%0.39930%0.303SS..  trans-111.6119173.9-1790000109.2P38 H42 L43 H44P38-C40 PolarHBondContact O-N 2.83Å; C40-H42 VanDerWaalsContact C-N 3.27Å; C40-H42 PolarHBondContact O-N 3.4Å; C40-L43 HydrophobicContact CB-CB 4.14Å; C40-L43 WeakPolarHBondContact O-CB 3.38Å; C40-L43 PolarHBondContact O-N 3.31Å; C40-H44 PolarHBondContact O-N 3.06Å; C40-H44 VanDerWaalsContact O-N 3.11Å; C40-H44 PolarHBondContact O-ND1 2.88Å
41D75.4Confident86.5Confident126 Ų12660.5 Ų60.567%0.67431%0.307SS*.Hα-helixtrans-58.7-37.2-176.9-72.6-17000112.9L43 H44 K45D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.46Å; D41-H44 PolarHBondContact O-N 3.37Å; D41-K45 VanDerWaalsContact O-CG 3.3Å; D41-K45 WeakPolarHBondContact O-CG 3.47Å; D41-K45 PolarHBondContact O-N 3.42Å; D41-K45 VanDerWaalsContact O-N 3.09Å
42H76.4Confident86.6Confident124 Ų12460.4 Ų60.457%0.57431%0.305SS*.Hα-helixtrans-67.6-37.1-179.2-162.974.2000112.1Q11 C40 K45 N46Q11-H42 PolarHBondContact NE2-CD2 3.09Å; Q11-H42 PolarHBondContact NE2-O 3.07Å; Q11-H42 PolarHBondContact OE1-CD2 2.91Å; Q11-H42 VanDerWaalsContact OE1-CD2 3.29Å; Q11-H42 PolarHBondContact OE1-NE2 3.07Å; C40-H42 VanDerWaalsContact C-N 3.27Å; C40-H42 PolarHBondContact O-N 3.4Å; H42-K45 PolarHBondContact O-N 3.29Å; H42-N46 PolarHBondContact O-N 2.98Å
43L80.8Confident86.8Confident15 Ų1555 Ų558%0.07929%0.286CS..Hα-helixtrans-67.7-39.2174.8-172.563.5000111.5Q11 V14 L37 P38 C40 D41 K45 N46 V49Q11-L43 HydrophobicContact CB-CD1 4.42Å; Q11-L43 HydrophobicContact CG-CD1 4.13Å; V14-L43 HydrophobicContact CB-CD1 3.82Å; V14-L43 HydrophobicContact CG1-CD1 3.83Å; V14-L43 HydrophobicContact CG1-CD2 4.49Å; V14-L43 HydrophobicContact CG1-CG 4.44Å; V14-L43 HydrophobicContact CG2-CD1 4Å; V14-L43 HydrophobicContact CG2-CD2 4.4Å; L37-L43 HydrophobicContact CB-CD2 4.15Å; L37-L43 HydrophobicContact CD1-CD2 4.18Å; L37-L43 HydrophobicContact CD2-CD2 4.21Å; L37-L43 HydrophobicContact CG-CD2 4.41Å; P38-L43 HydrophobicContact CG-CD2 4.35Å; C40-L43 HydrophobicContact CB-CB 4.14Å; C40-L43 WeakPolarHBondContact O-CB 3.38Å; C40-L43 PolarHBondContact O-N 3.31Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.46Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 3.19Å; L43-N46 VanDerWaalsContact O-CB 3.3Å; L43-N46 WeakPolarHBondContact O-CB 3.47Å; L43-N46 PolarHBondContact O-N 2.86Å; L43-V49 HydrophobicContact CD1-CG2 4.48Å
44H81.8Confident87Confident54 Ų5453.7 Ų53.725%0.2528%0.28CS..Hα-helixtrans-72.5-20-178.2-76.357.9000113.4P38 C40 D41 L50 K53P38-H44 PolarHBondContact O-CE1 3.2Å; C40-H44 PolarHBondContact O-N 3.06Å; C40-H44 VanDerWaalsContact O-N 3.11Å; C40-H44 PolarHBondContact O-ND1 2.88Å; D41-H44 PolarHBondContact O-N 3.37Å; H44-L50 VanDerWaalsContact O-CD2 3.3Å; H44-L50 WeakPolarHBondContact O-CD2 3.36Å; H44-L50 WeakPolarHBondContact O-CG 3.4Å; H44-K53 PolarHBondContact CD2-NZ 2.8Å; H44-K53 PolarHBondContact NE2-NZ 3.39Å
45K83.5Confident87.3Confident141 Ų14153.5 Ų53.561%0.61328%0.28SS*.THydrogen-bonded Turntrans-88.6-6.7173-70.3172.5-177178.60113.5D41 H42 L43 E47D41-K45 VanDerWaalsContact O-CG 3.3Å; D41-K45 WeakPolarHBondContact O-CG 3.47Å; D41-K45 PolarHBondContact O-N 3.42Å; D41-K45 VanDerWaalsContact O-N 3.09Å; H42-K45 PolarHBondContact O-N 3.29Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 3.19Å; K45-E47 PolarHBondContact O-N 3.16Å
46N89.2Confident87.6Confident29 Ų2943.9 Ų43.916%0.15524%0.244CC..  trans-65.1132177.1-172.1-83.5000110.5Q11 H42 L43 S48 V49 L50Q11-N46 HydrophobicContact CG-CB 4.21Å; Q11-N46 WeakPolarHBondContact CG-ND2 3.17Å; Q11-N46 PolarHBondContact NE2-ND2 2.9Å; Q11-N46 VanDerWaalsContact NE2-ND2 3.18Å; H42-N46 PolarHBondContact O-N 2.98Å; L43-N46 VanDerWaalsContact O-CB 3.3Å; L43-N46 WeakPolarHBondContact O-CB 3.47Å; L43-N46 PolarHBondContact O-N 2.86Å; N46-S48 VanDerWaalsContact C-N 3.32Å; N46-S48 PolarHBondContact O-N 3.32Å; N46-S48 WeakPolarHBondContact OD1-CB 3.41Å; N46-S48 PolarHBondContact OD1-N 3.32Å; N46-S48 PolarHBondContact OD1-OG 3.06Å; N46-V49 HydrophobicContact CB-CB 4.26Å; N46-V49 HydrophobicContact CB-CG2 4.01Å; N46-V49 PolarHBondContact O-N 2.94Å; N46-V49 VanDerWaalsContact O-N 3.16Å; N46-L50 WeakPolarHBondContact O-CG 3.46Å; N46-L50 PolarHBondContact O-N 3.37Å
47E91.7Very high88Confident39 Ų3942.8 Ų42.818%0.18224%0.237CC..Hα-helixtrans-60.2-39.4-175.2-163.7179.6163.900113K45 V49 L50 K51 F75 S76 N79K45-E47 PolarHBondContact O-N 3.16Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.15Å; E47-L50 PolarHBondContact O-N 2.92Å; E47-K51 VanDerWaalsContact O-CB 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.37Å; E47-K51 PolarHBondContact O-N 3.01Å; E47-F75 HydrophobicContact CG-CD1 3.53Å; E47-F75 HydrophobicContact CG-CE1 4.09Å; E47-F75 HydrophobicContact CG-CG 4.48Å; E47-F75 WeakPolarHBondContact OE1-CA 3.27Å; E47-S76 WeakPolarHBondContact OE1-CB 3.5Å; E47-S76 PolarHBondContact OE1-N 3.43Å; E47-S76 VanDerWaalsContact OE2-CB 3.28Å; E47-S76 WeakPolarHBondContact OE2-CB 3.45Å; E47-S76 PolarHBondContact OE2-N 2.84Å; E47-S76 PolarHBondContact OE2-OG 3.06Å; E47-N79 VanDerWaalsContact CD-ND2 3.27Å; E47-N79 PolarHBondContact OE1-ND2 3.25Å
48S92.4Very high88.5Confident25 Ų2544.7 Ų44.718%0.17525%0.245CC..Hα-helixtrans-65.7-38.1179.5-50.30000111.5N46 A52N46-S48 VanDerWaalsContact C-N 3.32Å; N46-S48 PolarHBondContact O-N 3.32Å; N46-S48 WeakPolarHBondContact OD1-CB 3.41Å; N46-S48 PolarHBondContact OD1-N 3.32Å; N46-S48 PolarHBondContact OD1-OG 3.06Å; S48-A52 VanDerWaalsContact O-CB 3.32Å; S48-A52 WeakPolarHBondContact O-CB 3.41Å; S48-A52 PolarHBondContact O-N 3.42Å
49V93.2Very high89.1Confident0 Ų046.4 Ų46.40%025%0.248CC..Hα-helixtrans-69.4-43.9176.3177.70000110.6V14 L34 L37 L43 N46 E47 A52 K53V14-V49 HydrophobicContact CG1-CG2 3.79Å; L34-V49 HydrophobicContact CD2-CG1 3.97Å; L37-V49 HydrophobicContact CD1-CG1 4.16Å; L43-V49 HydrophobicContact CD1-CG2 4.48Å; N46-V49 HydrophobicContact CB-CB 4.26Å; N46-V49 HydrophobicContact CB-CG2 4.01Å; N46-V49 PolarHBondContact O-N 2.94Å; N46-V49 VanDerWaalsContact O-N 3.16Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.15Å; V49-A52 PolarHBondContact O-N 3.45Å; V49-K53 HydrophobicContact CG1-CD 4.35Å; V49-K53 WeakPolarHBondContact O-CG 3.37Å; V49-K53 PolarHBondContact O-N 3.18Å
50L94.6Very high90.1Very high10 Ų1048.2 Ų48.25%0.05223%0.232CC..Hα-helixtrans-62.1-44.2176.1-72168.9000111.6H44 N46 E47 K53 A54 I69 H73 F75H44-L50 VanDerWaalsContact O-CD2 3.3Å; H44-L50 WeakPolarHBondContact O-CD2 3.36Å; H44-L50 WeakPolarHBondContact O-CG 3.4Å; N46-L50 WeakPolarHBondContact O-CG 3.46Å; N46-L50 PolarHBondContact O-N 3.37Å; E47-L50 PolarHBondContact O-N 2.92Å; L50-K53 PolarHBondContact O-N 3.12Å; L50-A54 PolarHBondContact O-N 2.68Å; L50-I69 HydrophobicContact CB-CG2 4.42Å; L50-I69 HydrophobicContact CD2-CG2 4.35Å; L50-H73 HydrophobicContact CD1-CB 3.8Å; L50-F75 HydrophobicContact CB-CE1 3.9Å; L50-F75 HydrophobicContact CB-CZ 4.01Å
51K94.8Very high91Very high17 Ų1747.3 Ų47.37%0.07423%0.232CC..Hα-helixtrans-59.8-47.2174.4-177.4176.971.5-177.60111.3E19 E47 K53 A54 V55 N79 L83E19-K51 WeakPolarHBondContact OE1-CE 3.32Å; E19-K51 IonicContact OE1-NZ 3.85Å; E19-K51 PolarHBondContact OE1-NZ 3.28Å; E19-K51 IonicContact OE2-NZ 3.49Å; E19-K51 PolarHBondContact OE2-NZ 2.88Å; E47-K51 VanDerWaalsContact O-CB 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.37Å; E47-K51 PolarHBondContact O-N 3.01Å; K51-K53 VanDerWaalsContact C-N 3.34Å; K51-K53 PolarHBondContact O-N 2.92Å; K51-A54 WeakPolarHBondContact O-CB 3.43Å; K51-A54 PolarHBondContact O-N 2.83Å; K51-V55 WeakPolarHBondContact O-CG2 3.27Å; K51-V55 PolarHBondContact O-N 2.97Å; K51-N79 HydrophobicContact CD-CB 4.38Å; K51-N79 WeakPolarHBondContact CD-OD1 3.33Å; K51-N79 PolarHBondContact NZ-OD1 3Å; K51-L83 HydrophobicContact CG-CD2 3.98Å
52A95.3Very high92Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-59.9-42.7176.300000112.4C18 L30 L34 S48 V49 V55 V56C18-A52 HydrophobicContact CB-CB 3.94Å; L30-A52 HydrophobicContact CD1-CB 3.99Å; L30-A52 HydrophobicContact CD2-CB 4.03Å; L30-A52 HydrophobicContact CG-CB 4.31Å; L34-A52 HydrophobicContact CD1-CB 4.06Å; L34-A52 HydrophobicContact CD2-CB 4.19Å; S48-A52 VanDerWaalsContact O-CB 3.32Å; S48-A52 WeakPolarHBondContact O-CB 3.41Å; S48-A52 PolarHBondContact O-N 3.42Å; V49-A52 PolarHBondContact O-N 3.45Å; A52-V55 PolarHBondContact O-N 3.41Å; A52-V56 WeakPolarHBondContact O-CG2 3.29Å; A52-V56 PolarHBondContact O-N 3.24Å
53K94.9Very high92.9Very high50 Ų5040.5 Ų40.522%0.21720%0.199CC..Hα-helixtrans-60.9-43.4174.6-75.1177.8177.1-1750111.9L34 H44 V49 L50 K51 V56 A57 I69L34-K53 HydrophobicContact CD1-CG 3.86Å; L34-K53 HydrophobicContact CD2-CG 4.18Å; H44-K53 PolarHBondContact CD2-NZ 2.8Å; H44-K53 PolarHBondContact NE2-NZ 3.39Å; V49-K53 HydrophobicContact CG1-CD 4.35Å; V49-K53 WeakPolarHBondContact O-CG 3.37Å; V49-K53 PolarHBondContact O-N 3.18Å; L50-K53 PolarHBondContact O-N 3.12Å; K51-K53 VanDerWaalsContact C-N 3.34Å; K51-K53 PolarHBondContact O-N 2.92Å; K53-V56 PolarHBondContact O-N 2.97Å; K53-A57 VanDerWaalsContact O-CB 3.3Å; K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 3.28Å; K53-I69 HydrophobicContact CB-CD1 3.77Å
54A96.6Very high93.7Very high0 Ų050.1 Ų50.10%023%0.234CC..Hα-helixtrans-60.3-44.9175.300000111.7L50 K51 V56 A57 F58 L66 I69 L70 L83 L86L50-A54 PolarHBondContact O-N 2.68Å; K51-A54 WeakPolarHBondContact O-CB 3.43Å; K51-A54 PolarHBondContact O-N 2.83Å; A54-V56 PolarHBondContact O-N 3.38Å; A54-A57 PolarHBondContact O-N 3.31Å; A54-F58 PolarHBondContact O-N 3.01Å; A54-L66 HydrophobicContact CB-CD1 3.71Å; A54-I69 HydrophobicContact CB-CG2 4.14Å; A54-L70 HydrophobicContact CB-CD2 4.17Å; A54-L83 HydrophobicContact CB-CD2 4.46Å; A54-L86 HydrophobicContact CB-CD1 4.43Å
55V96.1Very high94.4Very high13 Ų1351 Ų518%0.07924%0.238CC..Hα-helixtrans-61.7-45.3176.81740000111.5L27 K51 A52 F58 H59 L86L27-V55 HydrophobicContact CD1-CG1 4.22Å; L27-V55 HydrophobicContact CD2-CG1 3.58Å; K51-V55 WeakPolarHBondContact O-CG2 3.27Å; K51-V55 PolarHBondContact O-N 2.97Å; A52-V55 PolarHBondContact O-N 3.41Å; V55-F58 PolarHBondContact O-N 2.98Å; V55-H59 PolarHBondContact O-N 3.1Å; V55-L86 HydrophobicContact CG2-CD1 3.86Å
56V96.3Very high95Very high8 Ų844.3 Ų44.35%0.04821%0.209CC..Hα-helixtrans-66.4-40.1178.3171.10000111.5L30 L34 A52 K53 A54 F58 H59 R60L30-V56 HydrophobicContact CB-CG2 4.17Å; L30-V56 HydrophobicContact CD2-CG2 3.8Å; L30-V56 HydrophobicContact CG-CG2 3.78Å; L34-V56 HydrophobicContact CD1-CB 4.38Å; L34-V56 HydrophobicContact CD1-CG2 3.9Å; A52-V56 WeakPolarHBondContact O-CG2 3.29Å; A52-V56 PolarHBondContact O-N 3.24Å; K53-V56 PolarHBondContact O-N 2.97Å; A54-V56 PolarHBondContact O-N 3.38Å; V56-F58 VanDerWaalsContact C-N 3.33Å; V56-F58 PolarHBondContact O-N 3.49Å; V56-H59 PolarHBondContact O-N 3.46Å; V56-R60 HydrophobicContact CG1-CG 4.46Å; V56-R60 WeakPolarHBondContact O-CG 3.44Å; V56-R60 PolarHBondContact O-N 3.43Å
57A96.4Very high95.4Very high8 Ų844.2 Ų44.27%0.06621%0.207CC..Hα-helixtrans-60.5-43.6175.700000111.4K53 A54 R60 G61 N62 E65 L66K53-A57 VanDerWaalsContact O-CB 3.3Å; K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 3.28Å; A54-A57 PolarHBondContact O-N 3.31Å; A57-R60 PolarHBondContact O-N 2.83Å; A57-G61 PolarHBondContact O-N 2.81Å; A57-N62 PolarHBondContact O-N 3.19Å; A57-E65 HydrophobicContact CB-CB 4.4Å; A57-E65 HydrophobicContact CB-CG 4.5Å; A57-L66 HydrophobicContact CB-CB 4.17Å
58F96.7Very high95.6Very high53 Ų5348.3 Ų48.323%0.23222%0.224CC..Hα-helixtrans-60.9-46.6174-179.2-94.3000112.2A54 V55 V56 R60 G61 F63 L66 L86 K89 A90A54-F58 PolarHBondContact O-N 3.01Å; V55-F58 PolarHBondContact O-N 2.98Å; V56-F58 VanDerWaalsContact C-N 3.33Å; V56-F58 PolarHBondContact O-N 3.49Å; F58-R60 VanDerWaalsContact C-N 3.3Å; F58-R60 PolarHBondContact O-N 3.25Å; F58-G61 PolarHBondContact O-N 2.93Å; F58-F63 HydrophobicContact CD2-CD1 4.32Å; F58-F63 AromaticContact CD2-CE1 3.87Å; F58-F63 HydrophobicContact CD2-CE1 3.87Å; F58-F63 HydrophobicContact CE2-CE1 4.03Å; F58-L66 HydrophobicContact CB-CD2 4.17Å; F58-L66 HydrophobicContact CD2-CD2 3.91Å; F58-L86 HydrophobicContact CB-CD2 3.94Å; F58-L86 HydrophobicContact CD1-CD2 3.8Å; F58-L86 HydrophobicContact CD2-CD2 4.09Å; F58-L86 HydrophobicContact CE1-CD2 4.37Å; F58-L86 HydrophobicContact CG-CD2 3.65Å; F58-K89 HydrophobicContact CE2-CB 3.78Å; F58-K89 HydrophobicContact CZ-CB 3.79Å; F58-K89 HydrophobicContact CZ-CD 4.4Å; F58-A90 HydrophobicContact CD2-CB 4.04Å; F58-A90 HydrophobicContact CE2-CB 4.04Å
59H95.1Very high95.7Very high96 Ų9647.5 Ų47.544%0.44422%0.217SC..Hα-helixtrans-60-39.1179.3-176.5-102.6000112.8L27 E28 V55 V56 G61L27-H59 HydrophobicContact CD1-CB 3.9Å; E28-H59 IonicContact OE1-CE1 3.87Å; E28-H59 PolarHBondContact OE1-CE1 3.06Å; E28-H59 IonicContact OE1-ND1 2.81Å; E28-H59 PolarHBondContact OE1-ND1 3.26Å; V55-H59 PolarHBondContact O-N 3.1Å; V56-H59 PolarHBondContact O-N 3.46Å; H59-G61 PolarHBondContact O-N 3.48Å
60R94.4Very high95.8Very high146 Ų14647.5 Ų47.555%0.55122%0.217SC*.THydrogen-bonded Turntrans-79.1-1.5178.2-67.2177.5176.5174.8-0.6113.7V56 A57 F58 N62V56-R60 HydrophobicContact CG1-CG 4.46Å; V56-R60 WeakPolarHBondContact O-CG 3.44Å; V56-R60 PolarHBondContact O-N 3.43Å; A57-R60 PolarHBondContact O-N 2.83Å; F58-R60 VanDerWaalsContact C-N 3.3Å; F58-R60 PolarHBondContact O-N 3.25Å; R60-N62 PolarHBondContact O-N 2.97Å
61G94.8Very high95.9Very high39 Ų3952.1 Ų52.140%0.40224%0.239SC..THydrogen-bonded Turntrans6814.7-174.200000114.2A57 F58 H59 F63A57-G61 PolarHBondContact O-N 2.81Å; F58-G61 PolarHBondContact O-N 2.93Å; H59-G61 PolarHBondContact O-N 3.48Å; G61-F63 VanDerWaalsContact C-N 3.27Å; G61-F63 PolarHBondContact O-N 3Å
62N96.4Very high95.8Very high80 Ų8055 Ų5543%0.42826%0.261SS..  trans-84.973175.3-172.2-2.9000109.9A57 R60 R64 E65 L66A57-N62 PolarHBondContact O-N 3.19Å; R60-N62 PolarHBondContact O-N 2.97Å; N62-R64 VanDerWaalsContact C-N 3.29Å; N62-R64 PolarHBondContact O-N 2.93Å; N62-E65 PolarHBondContact O-N 2.63Å; N62-E65 PolarHBondContact OD1-N 3.48Å; N62-L66 PolarHBondContact O-N 3.47Å
63F96.9Very high95.6Very high28 Ų2858.1 Ų58.112%0.12328%0.275CS..Hα-helixtrans-67.2-29.9-176.1-56.7-48.2000113.1F58 G61 E65 L66 Y67 A90 V93 E94F58-F63 HydrophobicContact CD2-CD1 4.32Å; F58-F63 AromaticContact CD2-CE1 3.87Å; F58-F63 HydrophobicContact CD2-CE1 3.87Å; F58-F63 HydrophobicContact CE2-CE1 4.03Å; G61-F63 VanDerWaalsContact C-N 3.27Å; G61-F63 PolarHBondContact O-N 3Å; F63-E65 VanDerWaalsContact C-N 3.34Å; F63-E65 PolarHBondContact O-N 2.9Å; F63-L66 HydrophobicContact CD1-CD2 4.35Å; F63-L66 WeakPolarHBondContact O-CB 3.26Å; F63-L66 PolarHBondContact O-N 3.39Å; F63-Y67 HydrophobicContact CB-CD2 4.49Å; F63-Y67 HydrophobicContact CB-CE2 3.71Å; F63-Y67 WeakPolarHBondContact O-CD2 3.35Å; F63-Y67 WeakPolarHBondContact O-CE2 3.48Å; F63-Y67 PolarHBondContact O-N 2.94Å; F63-A90 HydrophobicContact CB-CB 4.5Å; F63-A90 HydrophobicContact CD1-CB 3.49Å; F63-A90 VanDerWaalsContact CD1-CB 3.49Å; F63-A90 HydrophobicContact CE1-CB 3.88Å; F63-A90 HydrophobicContact CG-CB 4.08Å; F63-V93 HydrophobicContact CE2-CB 4.37Å; F63-V93 HydrophobicContact CE2-CG1 3.96Å; F63-V93 HydrophobicContact CZ-CB 4.09Å; F63-V93 HydrophobicContact CZ-CG1 3.81Å; F63-E94 HydrophobicContact CD2-CG 3.46Å; F63-E94 VanDerWaalsContact CD2-CG 3.46Å; F63-E94 HydrophobicContact CE2-CG 3.9Å; F63-E94 HydrophobicContact CG-CG 4.3Å
64R96.8Very high95.4Very high216 Ų21661.9 Ų61.982%0.81529%0.294SS*.Hα-helixtrans-58.5-46175.8-174.9178.7-178.2-177.81112.1N62 Y67 K68N62-R64 VanDerWaalsContact C-N 3.29Å; N62-R64 PolarHBondContact O-N 2.93Å; R64-Y67 PolarHBondContact O-N 3.45Å; R64-K68 PolarHBondContact O-N 3.01Å; R64-K68 VanDerWaalsContact O-N 3.12Å
65E95.6Very high95.2Very high74 Ų7462.2 Ų62.235%0.34630%0.295SS..Hα-helixtrans-70.1-37.6177.9-174.659.8-162.700111.6A57 N62 F63 Y67 K68 I69A57-E65 HydrophobicContact CB-CB 4.4Å; A57-E65 HydrophobicContact CB-CG 4.5Å; N62-E65 PolarHBondContact O-N 2.63Å; N62-E65 PolarHBondContact OD1-N 3.48Å; F63-E65 VanDerWaalsContact C-N 3.34Å; F63-E65 PolarHBondContact O-N 2.9Å; E65-Y67 PolarHBondContact O-N 3.12Å; E65-K68 PolarHBondContact O-N 3Å; E65-I69 HydrophobicContact CG-CD1 4Å; E65-I69 HydrophobicContact CG-CG1 4.49Å; E65-I69 VanDerWaalsContact O-CG1 3.31Å; E65-I69 WeakPolarHBondContact O-CG1 3.4Å; E65-I69 PolarHBondContact O-N 2.95Å
66L96.8Very high95Very high0 Ų063.7 Ų63.70%031%0.306CS..Hα-helixtrans-54.9-51.8172.4170.666.9000111.1A54 A57 F58 N62 F63 K68 I69 L70 L86 A90A54-L66 HydrophobicContact CB-CD1 3.71Å; A57-L66 HydrophobicContact CB-CB 4.17Å; F58-L66 HydrophobicContact CB-CD2 4.17Å; F58-L66 HydrophobicContact CD2-CD2 3.91Å; N62-L66 PolarHBondContact O-N 3.47Å; F63-L66 HydrophobicContact CD1-CD2 4.35Å; F63-L66 WeakPolarHBondContact O-CB 3.26Å; F63-L66 PolarHBondContact O-N 3.39Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.36Å; L66-I69 PolarHBondContact O-N 3.07Å; L66-L70 HydrophobicContact CD1-CD1 3.71Å; L66-L70 HydrophobicContact CD1-CG 3.97Å; L66-L70 HydrophobicContact CG-CD1 4.07Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.01Å; L66-L86 HydrophobicContact CD1-CB 4.27Å; L66-L86 HydrophobicContact CD1-CD1 4.48Å; L66-L86 HydrophobicContact CD2-CB 4.47Å; L66-A90 HydrophobicContact CD2-CB 3.57Å
67Y96.9Very high94.7Very high27 Ų2768 Ų6811%0.10633%0.334CS..Hα-helixtrans-60.6-45.4-179.7-55.5-37.6000111.5F63 R64 E65 I69 L70 E71 W87 A90 H91 E94F63-Y67 HydrophobicContact CB-CD2 4.49Å; F63-Y67 HydrophobicContact CB-CE2 3.71Å; F63-Y67 WeakPolarHBondContact O-CD2 3.35Å; F63-Y67 WeakPolarHBondContact O-CE2 3.48Å; F63-Y67 PolarHBondContact O-N 2.94Å; R64-Y67 PolarHBondContact O-N 3.45Å; E65-Y67 PolarHBondContact O-N 3.12Å; Y67-I69 VanDerWaalsContact C-N 3.34Å; Y67-I69 PolarHBondContact O-N 3.31Å; Y67-L70 PolarHBondContact O-N 2.96Å; Y67-E71 WeakPolarHBondContact O-CB 3.4Å; Y67-E71 VanDerWaalsContact O-CG 3.32Å; Y67-E71 WeakPolarHBondContact O-CG 3.41Å; Y67-E71 PolarHBondContact O-N 3.41Å; Y67-W87 HydrophobicContact CD1-CD2 4.42Å; Y67-W87 AromaticContact CD1-CE3 3.71Å; Y67-W87 HydrophobicContact CD1-CE3 3.71Å; Y67-W87 HydrophobicContact CD1-CH2 4.24Å; Y67-W87 AromaticContact CD1-CZ3 3.6Å; Y67-W87 HydrophobicContact CD1-CZ3 3.6Å; Y67-W87 HydrophobicContact CE1-CE3 4.31Å; Y67-W87 HydrophobicContact CE1-CZ3 4.48Å; Y67-W87 HydrophobicContact CG-CZ3 4.15Å; Y67-A90 HydrophobicContact CE1-CB 3.85Å; Y67-A90 WeakPolarHBondContact OH-CB 3.46Å; Y67-H91 AromaticContact CE1-CD2 3.97Å; Y67-H91 AromaticContact CE1-CE1 3.64Å; Y67-H91 AromaticContact CE1-NE2 3.56Å; Y67-H91 AromaticContact CE2-CE1 3.71Å; Y67-H91 AromaticContact CZ-CE1 3.31Å; Y67-H91 AromaticContact CZ-ND1 3.53Å; Y67-H91 AromaticContact CZ-NE2 3.75Å; Y67-H91 PolarHBondContact OH-CE1 3.48Å; Y67-H91 PolarHBondContact OH-N 2.98Å; Y67-H91 PolarHBondContact OH-ND1 3.44Å; Y67-H91 VanDerWaalsContact OH-ND1 3.08Å; Y67-E94 PolarHBondContact OH-OE2 3.17Å
68K96.5Very high94.5Very high124 Ų12474.2 Ų74.254%0.53936%0.362SS..Hα-helixtrans-55.7-47.2176.3-174.5-175.6177.6-170.90112.1R64 E65 L66 S72R64-K68 PolarHBondContact O-N 3.01Å; R64-K68 VanDerWaalsContact O-N 3.12Å; E65-K68 PolarHBondContact O-N 3Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.36Å; K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.92Å; K68-S72 PolarHBondContact O-OG 3.2Å
69I95.1Very high94.3Very high8 Ų872.1 Ų72.14%0.04135%0.353CS..Hα-helixtrans-61.9-48.3179.2-68.4163.6000110.5L50 K53 A54 E65 L66 Y67 E71 S72 H73 F75L50-I69 HydrophobicContact CB-CG2 4.42Å; L50-I69 HydrophobicContact CD2-CG2 4.35Å; K53-I69 HydrophobicContact CB-CD1 3.77Å; A54-I69 HydrophobicContact CB-CG2 4.14Å; E65-I69 HydrophobicContact CG-CD1 4Å; E65-I69 HydrophobicContact CG-CG1 4.49Å; E65-I69 VanDerWaalsContact O-CG1 3.31Å; E65-I69 WeakPolarHBondContact O-CG1 3.4Å; E65-I69 PolarHBondContact O-N 2.95Å; L66-I69 PolarHBondContact O-N 3.07Å; Y67-I69 VanDerWaalsContact C-N 3.34Å; Y67-I69 PolarHBondContact O-N 3.31Å; I69-E71 PolarHBondContact O-N 3.39Å; I69-S72 PolarHBondContact O-N 3.43Å; I69-H73 PolarHBondContact O-ND1 2.95Å; I69-F75 HydrophobicContact CG2-CZ 4.2Å
70L95.6Very high94.2Very high0 Ų068.3 Ų68.30%034%0.335CS..Hα-helixtrans-66.7-35.1-176.5-64.1-175.2000112.5A54 L66 Y67 F75 L83 W87 T120 I121A54-L70 HydrophobicContact CB-CD2 4.17Å; L66-L70 HydrophobicContact CD1-CD1 3.71Å; L66-L70 HydrophobicContact CD1-CG 3.97Å; L66-L70 HydrophobicContact CG-CD1 4.07Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.01Å; Y67-L70 PolarHBondContact O-N 2.96Å; L70-F75 HydrophobicContact CD2-CE2 4.23Å; L70-F75 HydrophobicContact CD2-CZ 4.42Å; L70-L83 HydrophobicContact CD2-CB 3.99Å; L70-L83 HydrophobicContact CD2-CD1 4.15Å; L70-L83 HydrophobicContact CD2-CD2 3.82Å; L70-L83 HydrophobicContact CD2-CG 4.19Å; L70-W87 HydrophobicContact CB-CE3 4.25Å; L70-W87 HydrophobicContact CD1-CB 4.04Å; L70-W87 HydrophobicContact CD1-CE3 3.91Å; L70-T120 WeakPolarHBondContact O-CB 3.31Å; L70-T120 PolarHBondContact O-OG1 3.41Å; L70-I121 HydrophobicContact CD1-CD1 4.22Å; L70-I121 HydrophobicContact CD2-CG2 4.25Å
71E94.8Very high94.2Very high108 Ų10864.9 Ų64.951%0.50533%0.332SS..Hα-helixtrans-83.2-25-179.6-68.3174.6152.300113.6Y67 I69 W87 P118 T120Y67-E71 WeakPolarHBondContact O-CB 3.4Å; Y67-E71 VanDerWaalsContact O-CG 3.32Å; Y67-E71 WeakPolarHBondContact O-CG 3.41Å; Y67-E71 PolarHBondContact O-N 3.41Å; I69-E71 PolarHBondContact O-N 3.39Å; E71-W87 HydrophobicContact CG-CH2 4.13Å; E71-W87 HydrophobicContact CG-CZ3 3.94Å; E71-W87 WeakPolarHBondContact OE1-CH2 3.44Å; E71-P118 HydrophobicContact CG-CB 4.12Å; E71-P118 HydrophobicContact CG-CG 4.22Å; E71-T120 WeakPolarHBondContact O-CG2 3.01Å
72S93.7Very high94.2Very high77 Ų7768.2 Ų68.254%0.53834%0.335SS..Hα-helixtrans-89.7-18.1-171.6-56.40000114.5K68 I69K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.92Å; K68-S72 PolarHBondContact O-OG 3.2Å; I69-S72 PolarHBondContact O-N 3.43Å
73H92.1Very high94.2Very high65 Ų6564.4 Ų64.430%0.30132%0.315SS..SBendtrans-130.9136.5-172.7-57.785.3000111.2L50 I69 F75 T120L50-H73 HydrophobicContact CD1-CB 3.8Å; I69-H73 PolarHBondContact O-ND1 2.95Å; H73-F75 HydrophobicContact CB-CE2 4.17Å; H73-F75 HydrophobicContact CB-CZ 4.4Å; H73-F75 WeakPolarHBondContact O-CD2 3.3Å; H73-F75 WeakPolarHBondContact O-CE2 3.3Å; H73-T120 VanDerWaalsContact O-CB 3.22Å; H73-T120 WeakPolarHBondContact O-CB 3.03Å; H73-T120 WeakPolarHBondContact O-CG2 3.24Å
74Q90.1Very high94.1Very high130 Ų13065.3 Ų65.361%0.60732%0.32SS*.  trans-75.7132.5174.1-16966.35400110R119 T120Q74-R119 PolarHBondContact NE2-O 3.03Å; Q74-T120 PolarHBondContact NE2-O 3.29Å
75F92.5Very high94.1Very high7 Ų759.9 Ų59.93%0.03130%0.303CS..  trans-108.1151.4175.3-66.3-91.5000110.9E47 L50 I69 L70 H73 H80 L83 T120 I121E47-F75 HydrophobicContact CG-CD1 3.53Å; E47-F75 HydrophobicContact CG-CE1 4.09Å; E47-F75 HydrophobicContact CG-CG 4.48Å; E47-F75 WeakPolarHBondContact OE1-CA 3.27Å; L50-F75 HydrophobicContact CB-CE1 3.9Å; L50-F75 HydrophobicContact CB-CZ 4.01Å; I69-F75 HydrophobicContact CG2-CZ 4.2Å; L70-F75 HydrophobicContact CD2-CE2 4.23Å; L70-F75 HydrophobicContact CD2-CZ 4.42Å; H73-F75 HydrophobicContact CB-CE2 4.17Å; H73-F75 HydrophobicContact CB-CZ 4.4Å; H73-F75 WeakPolarHBondContact O-CD2 3.3Å; H73-F75 WeakPolarHBondContact O-CE2 3.3Å; F75-H80 PolarHBondContact O-NE2 3.41Å; F75-L83 HydrophobicContact CB-CD1 3.76Å; F75-L83 HydrophobicContact CD1-CD1 3.28Å; F75-L83 HydrophobicContact CD2-CD1 3.64Å; F75-L83 HydrophobicContact CE1-CD1 3.68Å; F75-L83 HydrophobicContact CE2-CD1 4.01Å; F75-L83 HydrophobicContact CG-CD1 3.25Å; F75-L83 HydrophobicContact CZ-CD1 4.03Å; F75-T120 PolarHBondContact N-O 2.95Å; F75-I121 HydrophobicContact CB-CG2 4.44Å; F75-I121 HydrophobicContact CD2-CG2 3.59Å; F75-I121 HydrophobicContact CE2-CG2 4.2Å; F75-I121 HydrophobicContact CG-CG2 4.27Å
76S91.5Very high94.1Very high43 Ų4356.9 Ų56.930%0.30129%0.29SS..  trans-69.6147.3172.8-62.80000111E47 H78 N79 H80E47-S76 WeakPolarHBondContact OE1-CB 3.5Å; E47-S76 PolarHBondContact OE1-N 3.43Å; E47-S76 VanDerWaalsContact OE2-CB 3.28Å; E47-S76 WeakPolarHBondContact OE2-CB 3.45Å; E47-S76 PolarHBondContact OE2-N 2.84Å; E47-S76 PolarHBondContact OE2-OG 3.06Å; S76-H78 WeakPolarHBondContact CB-CE1 3.39Å; S76-H78 VanDerWaalsContact CB-ND1 3.3Å; S76-H78 WeakPolarHBondContact CB-ND1 3.2Å; S76-H78 PolarHBondContact O-N 3.44Å; S76-H78 VanDerWaalsContact O-N 3.08Å; S76-N79 PolarHBondContact O-N 3.14Å; S76-H80 PolarHBondContact O-CD2 2.82Å; S76-H80 PolarHBondContact O-NE2 2.96Å
77P91.1Very high94.1Very high99 Ų9957.4 Ų57.464%0.64329%0.292SS*.G310 helixtrans-54.4-33.8-175.4-29.636000115.2N79 H80 P81P77-N79 PolarHBondContact O-N 2.84Å; P77-H80 WeakPolarHBondContact O-CB 3.4Å; P77-H80 PolarHBondContact O-N 3.34Å; P77-H80 VanDerWaalsContact O-N 3.13Å; P77-P81 WeakPolarHBondContact O-CD 3.36Å
78H91.3Very high94.1Very high139 Ų13958 Ų5864%0.64430%0.297SS*.G310 helixtrans-64.2-25179.367.7-90.1000113.4S76S76-H78 WeakPolarHBondContact CB-CE1 3.39Å; S76-H78 VanDerWaalsContact CB-ND1 3.3Å; S76-H78 WeakPolarHBondContact CB-ND1 3.2Å; S76-H78 PolarHBondContact O-N 3.44Å; S76-H78 VanDerWaalsContact O-N 3.08Å
79N92.6Very high94.1Very high9 Ų957.5 Ų57.55%0.04829%0.294CS..G310 helixtrans-89.8-17.2176.6-71.8-44.9000112.9E47 K51 S76 P77 K82 L83E47-N79 VanDerWaalsContact CD-ND2 3.27Å; E47-N79 PolarHBondContact OE1-ND2 3.25Å; K51-N79 HydrophobicContact CD-CB 4.38Å; K51-N79 WeakPolarHBondContact CD-OD1 3.33Å; K51-N79 PolarHBondContact NZ-OD1 3Å; S76-N79 PolarHBondContact O-N 3.14Å; P77-N79 PolarHBondContact O-N 2.84Å; N79-K82 PolarHBondContact O-N 3.24Å; N79-L83 HydrophobicContact CB-CD1 4.26Å; N79-L83 WeakPolarHBondContact O-CG 3.29Å; N79-L83 PolarHBondContact O-N 3.36Å
80H93.6Very high94.2Very high16 Ų1657.1 Ų57.17%0.07429%0.293CS..Hα-helixtrans-53.2-48.9-175.9-68.9-174.1000113.3F75 S76 P77 K82 L83 Q84 I121F75-H80 PolarHBondContact O-NE2 3.41Å; S76-H80 PolarHBondContact O-CD2 2.82Å; S76-H80 PolarHBondContact O-NE2 2.96Å; P77-H80 WeakPolarHBondContact O-CB 3.4Å; P77-H80 PolarHBondContact O-N 3.34Å; P77-H80 VanDerWaalsContact O-N 3.13Å; H80-K82 VanDerWaalsContact C-N 3.27Å; H80-K82 PolarHBondContact O-N 3.46Å; H80-L83 PolarHBondContact O-N 3.36Å; H80-L83 VanDerWaalsContact O-N 3.12Å; H80-Q84 WeakPolarHBondContact O-CB 3.15Å; H80-Q84 WeakPolarHBondContact O-CG 3.31Å; H80-Q84 PolarHBondContact O-N 3.06Å; H80-I121 WeakPolarHBondContact CB-O 3.46Å; H80-I121 VanDerWaalsContact CG-O 3.29Å; H80-I121 PolarHBondContact ND1-O 3.13Å
81P94.3Very high94.3Very high74 Ų7457.7 Ų57.748%0.48130%0.295SS..Hα-helixtrans-57.6-39.8-176-25.735.3000113P77 Q85P77-P81 WeakPolarHBondContact O-CD 3.36Å; P81-Q85 VanDerWaalsContact O-CG 3.24Å; P81-Q85 WeakPolarHBondContact O-CG 3.28Å; P81-Q85 PolarHBondContact O-N 3.05Å; P81-Q85 VanDerWaalsContact O-N 3.17Å
82K94.4Very high94.4Very high109 Ų10954.1 Ų54.147%0.47428%0.277SS..Hα-helixtrans-69.6-44.2179.3-174.465.8173.9-168.70111.5N79 H80 Q85 L86N79-K82 PolarHBondContact O-N 3.24Å; H80-K82 VanDerWaalsContact C-N 3.27Å; H80-K82 PolarHBondContact O-N 3.46Å; K82-Q85 WeakPolarHBondContact O-CB 3.45Å; K82-Q85 PolarHBondContact O-N 3.2Å; K82-L86 WeakPolarHBondContact O-CG 3.36Å; K82-L86 PolarHBondContact O-N 3.37Å; K82-L86 VanDerWaalsContact O-N 3.13Å
83L95.8Very high94.6Very high0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-71-39-177.8-61.6-179.4000112.2K51 A54 L70 F75 N79 H80 Q85 L86 W87 I121K51-L83 HydrophobicContact CG-CD2 3.98Å; A54-L83 HydrophobicContact CB-CD2 4.46Å; L70-L83 HydrophobicContact CD2-CB 3.99Å; L70-L83 HydrophobicContact CD2-CD1 4.15Å; L70-L83 HydrophobicContact CD2-CD2 3.82Å; L70-L83 HydrophobicContact CD2-CG 4.19Å; F75-L83 HydrophobicContact CB-CD1 3.76Å; F75-L83 HydrophobicContact CD1-CD1 3.28Å; F75-L83 HydrophobicContact CD2-CD1 3.64Å; F75-L83 HydrophobicContact CE1-CD1 3.68Å; F75-L83 HydrophobicContact CE2-CD1 4.01Å; F75-L83 HydrophobicContact CG-CD1 3.25Å; F75-L83 HydrophobicContact CZ-CD1 4.03Å; N79-L83 HydrophobicContact CB-CD1 4.26Å; N79-L83 WeakPolarHBondContact O-CG 3.29Å; N79-L83 PolarHBondContact O-N 3.36Å; H80-L83 PolarHBondContact O-N 3.36Å; H80-L83 VanDerWaalsContact O-N 3.12Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.28Å; L83-L86 HydrophobicContact CD2-CD1 4.25Å; L83-L86 PolarHBondContact O-N 3.37Å; L83-L86 VanDerWaalsContact O-N 3.16Å; L83-W87 PolarHBondContact O-N 3.08Å; L83-I121 HydrophobicContact CB-CB 4.24Å; L83-I121 HydrophobicContact CB-CD1 4.32Å; L83-I121 HydrophobicContact CB-CG2 3.91Å; L83-I121 HydrophobicContact CD1-CG2 3.8Å
84Q95.5Very high94.7Very high47 Ų4753.7 Ų53.722%0.2227%0.271CS..Hα-helixtrans-59.7-41.8172.4-68.3172.63.700111H80 L86 W87 L88 L117 I121H80-Q84 WeakPolarHBondContact O-CB 3.15Å; H80-Q84 WeakPolarHBondContact O-CG 3.31Å; H80-Q84 PolarHBondContact O-N 3.06Å; Q84-L86 PolarHBondContact O-N 2.97Å; Q84-W87 PolarHBondContact O-N 3.49Å; Q84-L88 WeakPolarHBondContact O-CB 3.34Å; Q84-L88 VanDerWaalsContact O-CG 3.24Å; Q84-L88 WeakPolarHBondContact O-CG 3.36Å; Q84-L88 PolarHBondContact O-N 3.04Å; Q84-L117 HydrophobicContact CB-CD1 4.26Å; Q84-L117 HydrophobicContact CB-CD2 3.92Å; Q84-L117 HydrophobicContact CG-CD1 3.79Å; Q84-L117 HydrophobicContact CG-CD2 3.91Å; Q84-L117 HydrophobicContact CG-CG 4.42Å; Q84-I121 HydrophobicContact CG-CD1 4.3Å; Q84-I121 HydrophobicContact CG-CG1 4.23Å; Q84-I121 WeakPolarHBondContact CG-O 3.41Å; Q84-I121 PolarHBondContact NE2-O 3.29Å
85Q95.9Very high95Very high101 Ų10148.4 Ų48.447%0.47225%0.249SC..Hα-helixtrans-61.4-42174.3-76.3176.63.100112.5P81 K82 L83 K89P81-Q85 VanDerWaalsContact O-CG 3.24Å; P81-Q85 WeakPolarHBondContact O-CG 3.28Å; P81-Q85 PolarHBondContact O-N 3.05Å; P81-Q85 VanDerWaalsContact O-N 3.17Å; K82-Q85 WeakPolarHBondContact O-CB 3.45Å; K82-Q85 PolarHBondContact O-N 3.2Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 PolarHBondContact O-N 3.28Å; Q85-K89 VanDerWaalsContact O-CB 3.24Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 VanDerWaalsContact O-CG 3.24Å; Q85-K89 WeakPolarHBondContact O-CG 3.48Å; Q85-K89 PolarHBondContact O-N 3.11Å
86L96.7Very high95.1Very high12 Ų1250.8 Ų50.86%0.06326%0.261CS..Hα-helixtrans-63.1-47.3177-68.2175.1000111.4A54 V55 F58 L66 K82 L83 Q84 L88 K89 A90A54-L86 HydrophobicContact CB-CD1 4.43Å; V55-L86 HydrophobicContact CG2-CD1 3.86Å; F58-L86 HydrophobicContact CB-CD2 3.94Å; F58-L86 HydrophobicContact CD1-CD2 3.8Å; F58-L86 HydrophobicContact CD2-CD2 4.09Å; F58-L86 HydrophobicContact CE1-CD2 4.37Å; F58-L86 HydrophobicContact CG-CD2 3.65Å; L66-L86 HydrophobicContact CD1-CB 4.27Å; L66-L86 HydrophobicContact CD1-CD1 4.48Å; L66-L86 HydrophobicContact CD2-CB 4.47Å; K82-L86 WeakPolarHBondContact O-CG 3.36Å; K82-L86 PolarHBondContact O-N 3.37Å; K82-L86 VanDerWaalsContact O-N 3.13Å; L83-L86 HydrophobicContact CD2-CD1 4.25Å; L83-L86 PolarHBondContact O-N 3.37Å; L83-L86 VanDerWaalsContact O-N 3.16Å; Q84-L86 PolarHBondContact O-N 2.97Å; L86-L88 PolarHBondContact O-N 3.4Å; L86-K89 PolarHBondContact O-N 3.29Å; L86-A90 VanDerWaalsContact O-CB 3.24Å; L86-A90 WeakPolarHBondContact O-CB 3.46Å; L86-A90 PolarHBondContact O-N 3.37Å
87W97.2Very high95.3Very high10 Ų1057.5 Ų57.54%0.03829%0.285CS..Hα-helixtrans-54.4-53.5176.4178.5-87.5000111.9Y67 L70 E71 L83 Q84 A90 H91 F115 P116 L117 P118 I121Y67-W87 HydrophobicContact CD1-CD2 4.42Å; Y67-W87 AromaticContact CD1-CE3 3.71Å; Y67-W87 HydrophobicContact CD1-CE3 3.71Å; Y67-W87 HydrophobicContact CD1-CH2 4.24Å; Y67-W87 AromaticContact CD1-CZ3 3.6Å; Y67-W87 HydrophobicContact CD1-CZ3 3.6Å; Y67-W87 HydrophobicContact CE1-CE3 4.31Å; Y67-W87 HydrophobicContact CE1-CZ3 4.48Å; Y67-W87 HydrophobicContact CG-CZ3 4.15Å; L70-W87 HydrophobicContact CB-CE3 4.25Å; L70-W87 HydrophobicContact CD1-CB 4.04Å; L70-W87 HydrophobicContact CD1-CE3 3.91Å; E71-W87 HydrophobicContact CG-CH2 4.13Å; E71-W87 HydrophobicContact CG-CZ3 3.94Å; E71-W87 WeakPolarHBondContact OE1-CH2 3.44Å; L83-W87 PolarHBondContact O-N 3.08Å; Q84-W87 PolarHBondContact O-N 3.49Å; W87-A90 PolarHBondContact O-N 3.28Å; W87-H91 AromaticContact CD1-CD2 3.89Å; W87-H91 AromaticContact CE2-CD2 3.64Å; W87-H91 AromaticContact CE2-NE2 3.43Å; W87-H91 AromaticContact CH2-NE2 3.94Å; W87-H91 AromaticContact CZ2-NE2 3.38Å; W87-H91 WeakPolarHBondContact CZ2-NE2 3.5Å; W87-H91 AromaticContact NE1-CD2 3.5Å; W87-H91 AromaticContact NE1-NE2 3.76Å; W87-H91 PolarHBondContact O-CD2 2.93Å; W87-H91 PolarHBondContact O-N 3.42Å; W87-F115 HydrophobicContact CZ2-CB 4.44Å; W87-F115 PolarHBondContact NE1-O 3.44Å; W87-P116 PolarHBondContact NE1-O 2.89Å; W87-L117 HydrophobicContact CB-CD2 4.26Å; W87-L117 HydrophobicContact CG-CD2 4.06Å; W87-P118 HydrophobicContact CD2-CG 4.44Å; W87-P118 HydrophobicContact CE3-CG 4.05Å; W87-P118 HydrophobicContact CH2-CG 4.23Å; W87-P118 HydrophobicContact CZ3-CG 3.94Å; W87-I121 HydrophobicContact CB-CD1 4.16Å
88L96.8Very high95.3Very high40 Ų4060.2 Ų60.221%0.20929%0.293CS..Hα-helixtrans-63.8-47.2-178.3-68.5176.4000111.7Q84 L86 A90 H91 Y92 R112 L117Q84-L88 WeakPolarHBondContact O-CB 3.34Å; Q84-L88 VanDerWaalsContact O-CG 3.24Å; Q84-L88 WeakPolarHBondContact O-CG 3.36Å; Q84-L88 PolarHBondContact O-N 3.04Å; L86-L88 PolarHBondContact O-N 3.4Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.99Å; L88-H91 PolarHBondContact O-N 3.44Å; L88-Y92 HydrophobicContact CB-CE2 4.07Å; L88-Y92 WeakPolarHBondContact O-CD1 3.35Å; L88-Y92 VanDerWaalsContact O-CD2 3.27Å; L88-Y92 WeakPolarHBondContact O-CD2 3.27Å; L88-Y92 PolarHBondContact O-N 3.48Å; L88-R112 HydrophobicContact CD2-CG 3.65Å; L88-L117 HydrophobicContact CD2-CD2 4.42Å; L88-L117 HydrophobicContact CG-CD2 4.31Å
89K96.8Very high95.4Very high114 Ų11460.1 Ų60.150%0.49629%0.287SS..Hα-helixtrans-62.2-41.9179.4-76.5179176-1780111.5F58 Q85 L86 Y92 V93F58-K89 HydrophobicContact CE2-CB 3.78Å; F58-K89 HydrophobicContact CZ-CB 3.79Å; F58-K89 HydrophobicContact CZ-CD 4.4Å; Q85-K89 VanDerWaalsContact O-CB 3.24Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 VanDerWaalsContact O-CG 3.24Å; Q85-K89 WeakPolarHBondContact O-CG 3.48Å; Q85-K89 PolarHBondContact O-N 3.11Å; L86-K89 PolarHBondContact O-N 3.29Å; K89-Y92 PolarHBondContact O-N 3.02Å; K89-V93 WeakPolarHBondContact O-CG2 3.39Å; K89-V93 PolarHBondContact O-N 3.44Å
90A97.3Very high95.4Very high0 Ų063.1 Ų63.10%032%0.32CS..Hα-helixtrans-59.7-50.2179.500000110.8F58 F63 L66 Y67 L86 W87 L88 Y92 V93 E94F58-A90 HydrophobicContact CD2-CB 4.04Å; F58-A90 HydrophobicContact CE2-CB 4.04Å; F63-A90 HydrophobicContact CB-CB 4.5Å; F63-A90 HydrophobicContact CD1-CB 3.49Å; F63-A90 VanDerWaalsContact CD1-CB 3.49Å; F63-A90 HydrophobicContact CE1-CB 3.88Å; F63-A90 HydrophobicContact CG-CB 4.08Å; L66-A90 HydrophobicContact CD2-CB 3.57Å; Y67-A90 HydrophobicContact CE1-CB 3.85Å; Y67-A90 WeakPolarHBondContact OH-CB 3.46Å; L86-A90 VanDerWaalsContact O-CB 3.24Å; L86-A90 WeakPolarHBondContact O-CB 3.46Å; L86-A90 PolarHBondContact O-N 3.37Å; W87-A90 PolarHBondContact O-N 3.28Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.99Å; A90-Y92 VanDerWaalsContact C-N 3.31Å; A90-Y92 PolarHBondContact O-N 2.89Å; A90-V93 PolarHBondContact O-N 3.47Å; A90-E94 PolarHBondContact O-N 3.17Å
91H97.8Very high95.4Very high11 Ų1170.1 Ų70.15%0.05135%0.346CS..Hα-helixtrans-66.4-30177.1-75.8-53000113.8Y67 W87 L88 E94 A95 V111 F115Y67-H91 AromaticContact CE1-CD2 3.97Å; Y67-H91 AromaticContact CE1-CE1 3.64Å; Y67-H91 AromaticContact CE1-NE2 3.56Å; Y67-H91 AromaticContact CE2-CE1 3.71Å; Y67-H91 AromaticContact CZ-CE1 3.31Å; Y67-H91 AromaticContact CZ-ND1 3.53Å; Y67-H91 AromaticContact CZ-NE2 3.75Å; Y67-H91 PolarHBondContact OH-CE1 3.48Å; Y67-H91 PolarHBondContact OH-N 2.98Å; Y67-H91 PolarHBondContact OH-ND1 3.44Å; Y67-H91 VanDerWaalsContact OH-ND1 3.08Å; W87-H91 AromaticContact CD1-CD2 3.89Å; W87-H91 AromaticContact CE2-CD2 3.64Å; W87-H91 AromaticContact CE2-NE2 3.43Å; W87-H91 AromaticContact CH2-NE2 3.94Å; W87-H91 AromaticContact CZ2-NE2 3.38Å; W87-H91 WeakPolarHBondContact CZ2-NE2 3.5Å; W87-H91 AromaticContact NE1-CD2 3.5Å; W87-H91 AromaticContact NE1-NE2 3.76Å; W87-H91 PolarHBondContact O-CD2 2.93Å; W87-H91 PolarHBondContact O-N 3.42Å; L88-H91 PolarHBondContact O-N 3.44Å; H91-E94 IonicContact ND1-OE2 2.75Å; H91-E94 PolarHBondContact ND1-OE2 3.22Å; H91-A95 WeakPolarHBondContact O-CB 3.31Å; H91-A95 PolarHBondContact O-N 2.69Å; H91-V111 HydrophobicContact CB-CG1 3.56Å; H91-F115 HydrophobicContact CB-CD2 4.37Å; H91-F115 AromaticContact CD2-CG 3.99Å; H91-F115 AromaticContact CE1-CD1 3.77Å; H91-F115 AromaticContact CE1-CG 3.71Å; H91-F115 AromaticContact CG-CD2 3.98Å; H91-F115 AromaticContact ND1-CD2 3.86Å; H91-F115 AromaticContact ND1-CG 3.91Å; H91-F115 AromaticContact NE2-CG 3.76Å
92Y96.8Very high95.3Very high34 Ų3472.1 Ų72.113%0.13336%0.359CS..Hα-helixtrans-65-47.6171.4-62.5-24.7000111.2L88 K89 A90 E94 A95 E96 L103 K108 V111 R112L88-Y92 HydrophobicContact CB-CE2 4.07Å; L88-Y92 WeakPolarHBondContact O-CD1 3.35Å; L88-Y92 VanDerWaalsContact O-CD2 3.27Å; L88-Y92 WeakPolarHBondContact O-CD2 3.27Å; L88-Y92 PolarHBondContact O-N 3.48Å; K89-Y92 PolarHBondContact O-N 3.02Å; A90-Y92 VanDerWaalsContact C-N 3.31Å; A90-Y92 PolarHBondContact O-N 2.89Å; Y92-E94 VanDerWaalsContact C-N 3.35Å; Y92-E94 PolarHBondContact O-N 2.99Å; Y92-A95 PolarHBondContact O-N 2.96Å; Y92-A95 VanDerWaalsContact O-N 3.17Å; Y92-E96 WeakPolarHBondContact O-CB 3.24Å; Y92-E96 VanDerWaalsContact O-CG 3.26Å; Y92-E96 WeakPolarHBondContact O-CG 3.32Å; Y92-E96 PolarHBondContact O-N 3.39Å; Y92-L103 HydrophobicContact CD1-CD2 4.23Å; Y92-K108 HydrophobicContact CD1-CB 4.38Å; Y92-K108 HydrophobicContact CD1-CG 4.09Å; Y92-K108 HydrophobicContact CD2-CD 4.42Å; Y92-K108 HydrophobicContact CD2-CG 4.46Å; Y92-K108 HydrophobicContact CE1-CB 3.78Å; Y92-K108 HydrophobicContact CE1-CG 3.94Å; Y92-K108 HydrophobicContact CE2-CD 4.21Å; Y92-K108 HydrophobicContact CE2-CG 4.32Å; Y92-K108 HydrophobicContact CG-CG 4.37Å; Y92-V111 HydrophobicContact CD1-CB 3.97Å; Y92-V111 HydrophobicContact CD1-CG1 3.72Å; Y92-V111 HydrophobicContact CD1-CG2 4.38Å; Y92-V111 HydrophobicContact CE1-CB 3.95Å; Y92-V111 HydrophobicContact CE1-CG1 3.86Å; Y92-R112 HydrophobicContact CE1-CG 4.34Å; Y92-R112 VanDerWaalsContact OH-CD 3.32Å; Y92-R112 WeakPolarHBondContact OH-CD 3.24Å; Y92-R112 WeakPolarHBondContact OH-CG 3.45Å
93V96Very high95.2Very high62 Ų6267.6 Ų67.638%0.37634%0.339SS..Hα-helixtrans-60.3-44.7179172.10000111F63 K89 A90 A95 E96 K97F63-V93 HydrophobicContact CE2-CB 4.37Å; F63-V93 HydrophobicContact CE2-CG1 3.96Å; F63-V93 HydrophobicContact CZ-CB 4.09Å; F63-V93 HydrophobicContact CZ-CG1 3.81Å; K89-V93 WeakPolarHBondContact O-CG2 3.39Å; K89-V93 PolarHBondContact O-N 3.44Å; A90-V93 PolarHBondContact O-N 3.47Å; V93-A95 PolarHBondContact O-N 3.43Å; V93-E96 PolarHBondContact O-N 3.19Å; V93-K97 WeakPolarHBondContact O-CB 3.43Å; V93-K97 PolarHBondContact O-N 3.45Å
94E95.8Very high95.2Very high70 Ų7069.9 Ų69.933%0.32736%0.363SS..Hα-helixtrans-61-44.4175-70.2-170.113300112.1F63 Y67 A90 H91 Y92 K97 L98F63-E94 HydrophobicContact CD2-CG 3.46Å; F63-E94 VanDerWaalsContact CD2-CG 3.46Å; F63-E94 HydrophobicContact CE2-CG 3.9Å; F63-E94 HydrophobicContact CG-CG 4.3Å; Y67-E94 PolarHBondContact OH-OE2 3.17Å; A90-E94 PolarHBondContact O-N 3.17Å; H91-E94 IonicContact ND1-OE2 2.75Å; H91-E94 PolarHBondContact ND1-OE2 3.22Å; Y92-E94 VanDerWaalsContact C-N 3.35Å; Y92-E94 PolarHBondContact O-N 2.99Å; E94-K97 PolarHBondContact O-N 3.25Å; E94-L98 WeakPolarHBondContact O-CG 3.32Å; E94-L98 PolarHBondContact O-N 3.13Å
95A95.6Very high95.1Very high19 Ų1971.6 Ų71.616%0.15739%0.385CS..Hα-helixtrans-68-35.1179.500000113.1H91 Y92 V93 R99 L103 V111H91-A95 WeakPolarHBondContact O-CB 3.31Å; H91-A95 PolarHBondContact O-N 2.69Å; Y92-A95 PolarHBondContact O-N 2.96Å; Y92-A95 VanDerWaalsContact O-N 3.17Å; V93-A95 PolarHBondContact O-N 3.43Å; A95-R99 WeakPolarHBondContact O-CB 3.47Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 3.01Å; A95-L103 HydrophobicContact CB-CD1 4.12Å; A95-L103 HydrophobicContact CB-CD2 3.96Å; A95-V111 HydrophobicContact CB-CG2 3.66Å
96E95.8Very high94.9Very high57 Ų5771.3 Ų71.327%0.26639%0.39SS..Hα-helixtrans-67.7-45.2174.6-74.1178.1154.200110.5Y92 V93 L98 R99 G100 L103Y92-E96 WeakPolarHBondContact O-CB 3.24Å; Y92-E96 VanDerWaalsContact O-CG 3.26Å; Y92-E96 WeakPolarHBondContact O-CG 3.32Å; Y92-E96 PolarHBondContact O-N 3.39Å; V93-E96 PolarHBondContact O-N 3.19Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 2.9Å; E96-R99 CarbonylContact O-C 3.45Å; E96-R99 PolarHBondContact O-N 3.2Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E96-G100 PolarHBondContact O-N 3.25Å; E96-L103 HydrophobicContact CB-CD1 4.5Å; E96-L103 HydrophobicContact CG-CB 3.71Å; E96-L103 HydrophobicContact CG-CD1 3.67Å; E96-L103 HydrophobicContact CG-CG 4.17Å; E96-L103 WeakPolarHBondContact OE1-CB 3.36Å; E96-L103 PolarHBondContact OE1-N 3.28Å
97K94.1Very high94.8Very high185 Ų18571.6 Ų71.680%0.80440%0.396SS*.Hα-helixtrans-60.1-42.6176.8-171175-177.6178.10112V93 E94 R99V93-K97 WeakPolarHBondContact O-CB 3.43Å; V93-K97 PolarHBondContact O-N 3.45Å; E94-K97 PolarHBondContact O-N 3.25Å; K97-R99 VanDerWaalsContact C-N 3.31Å; K97-R99 PolarHBondContact O-N 3.18Å
98L92.3Very high94.7Very high155 Ų15575 Ų7581%0.81241%0.411SS*.Hα-helixtrans-67.3-29176.3-74.3172.8000113.5E94 E96E94-L98 WeakPolarHBondContact O-CG 3.32Å; E94-L98 PolarHBondContact O-N 3.13Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 2.9Å
99R92.4Very high94.5Very high137 Ų13777.4 Ų77.452%0.51742%0.418SS..Hα-helixtrans-91.8-15.4-179.4-75.4-173.2173.2-89.8-2.3113.9A95 E96 K97 R101A95-R99 WeakPolarHBondContact O-CB 3.47Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 3.01Å; E96-R99 CarbonylContact O-C 3.45Å; E96-R99 PolarHBondContact O-N 3.2Å; E96-R99 VanDerWaalsContact O-N 3.12Å; K97-R99 VanDerWaalsContact C-N 3.31Å; K97-R99 PolarHBondContact O-N 3.18Å; R99-R101 HydrophobicContact CB-CG 4.21Å; R99-R101 PolarHBondContact O-N 3.33Å
100G92.6Very high94.4Very high72 Ų7279.4 Ų79.474%0.74242%0.422SS*.THydrogen-bonded Turntrans65.513.7-174.100000114.3E96E96-G100 PolarHBondContact O-N 3.25Å
101R92.9Very high94.3Very high164 Ų16480 Ų8062%0.61943%0.426SS*.SBendtrans-148.4152.9179.965.7178.4179.5-175.1-2.7112.3R99R99-R101 HydrophobicContact CB-CG 4.21Å; R99-R101 PolarHBondContact O-N 3.33Å
102P92Very high94.1Very high116 Ų11684.6 Ų84.675%0.75344%0.443SS*.  trans-58.2145.4177.5-24.334.2000113.2G104P102-G104 PolarHBondContact O-N 3.39Å
103L94.1Very high93.8Very high14 Ų1490.1 Ų90.17%0.07346%0.464CS..  trans-84.1115.4-178.1-118.869.2000110.9Y92 A95 E96 K108 V111Y92-L103 HydrophobicContact CD1-CD2 4.23Å; A95-L103 HydrophobicContact CB-CD1 4.12Å; A95-L103 HydrophobicContact CB-CD2 3.96Å; E96-L103 HydrophobicContact CB-CD1 4.5Å; E96-L103 HydrophobicContact CG-CB 3.71Å; E96-L103 HydrophobicContact CG-CD1 3.67Å; E96-L103 HydrophobicContact CG-CG 4.17Å; E96-L103 WeakPolarHBondContact OE1-CB 3.36Å; E96-L103 PolarHBondContact OE1-N 3.28Å; L103-K108 HydrophobicContact CB-CG 4.05Å; L103-K108 HydrophobicContact CD2-CG 4.19Å; L103-K108 VanDerWaalsContact O-CE 3.31Å; L103-K108 WeakPolarHBondContact O-CE 3.47Å; L103-V111 HydrophobicContact CD2-CG2 3.62Å
104G94.9Very high93.7Very high48 Ų4894.6 Ų94.650%0.49548%0.478SS..  trans-70.4175.416800000113.3P102 V106 G107 K108P102-G104 PolarHBondContact O-N 3.39Å; G104-V106 VanDerWaalsContact C-N 3.32Å; G104-V106 PolarHBondContact O-N 3.4Å; G104-G107 WeakPolarHBondContact O-CA 3.39Å; G104-G107 PolarHBondContact O-N 2.91Å; G104-K108 PolarHBondContact O-N 3.41Å
105A93.8Very high93.6Very high83 Ų8394.6 Ų94.669%0.68648%0.477SS*.Hα-helixtrans-54.1-43.8-176.600000113.6G107 K108 Y109A105-G107 VanDerWaalsContact C-N 3.34Å; A105-K108 PolarHBondContact O-N 3.25Å; A105-Y109 PolarHBondContact O-N 3.49Å
106V91.9Very high93.4Very high94 Ų9497.7 Ų97.757%0.5750%0.496SS*.Hα-helixtrans-66.8-37.2177.6-1800000111.4G104 Y109 R110G104-V106 VanDerWaalsContact C-N 3.32Å; G104-V106 PolarHBondContact O-N 3.4Å; V106-Y109 PolarHBondContact O-N 2.91Å; V106-R110 WeakPolarHBondContact O-CG 3.24Å; V106-R110 PolarHBondContact O-N 3.42Å
107G95.1Very high93.1Very high19 Ų1996.8 Ų96.820%0.19649%0.492CS..Hα-helixtrans-62.5-49175.500000111.4G104 A105 Y109 R110 V111G104-G107 WeakPolarHBondContact O-CA 3.39Å; G104-G107 PolarHBondContact O-N 2.91Å; A105-G107 VanDerWaalsContact C-N 3.34Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; G107-Y109 PolarHBondContact O-N 2.84Å; G107-R110 WeakPolarHBondContact O-CB 3.24Å; G107-R110 PolarHBondContact O-N 3.21Å; G107-R110 VanDerWaalsContact O-N 3.14Å; G107-V111 WeakPolarHBondContact O-CG2 3.24Å; G107-V111 PolarHBondContact O-N 3.35Å
108K95Very high93Very high80 Ų8089 Ų8935%0.34846%0.461SS..Hα-helixtrans-61.1-38.6175.7-66.3-178178172.70112.3Y92 L103 G104 A105 V111 R112Y92-K108 HydrophobicContact CD1-CB 4.38Å; Y92-K108 HydrophobicContact CD1-CG 4.09Å; Y92-K108 HydrophobicContact CD2-CD 4.42Å; Y92-K108 HydrophobicContact CD2-CG 4.46Å; Y92-K108 HydrophobicContact CE1-CB 3.78Å; Y92-K108 HydrophobicContact CE1-CG 3.94Å; Y92-K108 HydrophobicContact CE2-CD 4.21Å; Y92-K108 HydrophobicContact CE2-CG 4.32Å; Y92-K108 HydrophobicContact CG-CG 4.37Å; L103-K108 HydrophobicContact CB-CG 4.05Å; L103-K108 HydrophobicContact CD2-CG 4.19Å; L103-K108 VanDerWaalsContact O-CE 3.31Å; L103-K108 WeakPolarHBondContact O-CE 3.47Å; G104-K108 PolarHBondContact O-N 3.41Å; A105-K108 PolarHBondContact O-N 3.25Å; K108-V111 PolarHBondContact O-N 3.5Å; K108-R112 WeakPolarHBondContact O-CG 3.47Å; K108-R112 PolarHBondContact O-N 3.46Å; K108-R112 PolarHBondContact O-NE 3.2Å
109Y92.6Very high92.8Very high91 Ų9188.9 Ų88.936%0.35745%0.45SS..Hα-helixtrans-59.9-47.3172.4172.8-99000112.3A105 V106 G107 V111 R112 R113 Y129A105-Y109 PolarHBondContact O-N 3.49Å; V106-Y109 PolarHBondContact O-N 2.91Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; G107-Y109 PolarHBondContact O-N 2.84Å; Y109-V111 VanDerWaalsContact C-N 3.32Å; Y109-V111 PolarHBondContact O-N 3.37Å; Y109-R112 PolarHBondContact O-N 3.25Å; Y109-R113 HydrophobicContact CE1-CG 4.1Å; Y109-R113 HydrophobicContact CE2-CG 4.09Å; Y109-R113 PolarHBondContact O-N 3.36Å; Y109-R113 VanDerWaalsContact OH-CD 3.32Å; Y109-R113 WeakPolarHBondContact OH-CD 3.45Å; Y109-Y129 HydrophobicContact CE2-CD1 4.45Å
110R94Very high92.7Very high156 Ų15683.3 Ų83.359%0.58943%0.431SS*.Hα-helixtrans-61-40.3178.2-72.8172.9175.6178.9-1.8112.1V106 G107 R113 K114V106-R110 WeakPolarHBondContact O-CG 3.24Å; V106-R110 PolarHBondContact O-N 3.42Å; G107-R110 WeakPolarHBondContact O-CB 3.24Å; G107-R110 PolarHBondContact O-N 3.21Å; G107-R110 VanDerWaalsContact O-N 3.14Å; R110-R113 PolarHBondContact O-N 3.48Å; R110-K114 WeakPolarHBondContact O-CB 3.36Å; R110-K114 PolarHBondContact O-N 2.94Å
111V94.9Very high92.5Very high14 Ų1479.9 Ų79.99%0.08540%0.395CS..Hα-helixtrans-62.8-49.6176.4172.60000111.2H91 Y92 A95 L103 G107 K108 Y109 R113 K114 F115H91-V111 HydrophobicContact CB-CG1 3.56Å; Y92-V111 HydrophobicContact CD1-CB 3.97Å; Y92-V111 HydrophobicContact CD1-CG1 3.72Å; Y92-V111 HydrophobicContact CD1-CG2 4.38Å; Y92-V111 HydrophobicContact CE1-CB 3.95Å; Y92-V111 HydrophobicContact CE1-CG1 3.86Å; A95-V111 HydrophobicContact CB-CG2 3.66Å; L103-V111 HydrophobicContact CD2-CG2 3.62Å; G107-V111 WeakPolarHBondContact O-CG2 3.24Å; G107-V111 PolarHBondContact O-N 3.35Å; K108-V111 PolarHBondContact O-N 3.5Å; Y109-V111 VanDerWaalsContact C-N 3.32Å; Y109-V111 PolarHBondContact O-N 3.37Å; V111-R113 PolarHBondContact O-N 2.97Å; V111-K114 PolarHBondContact O-N 3.28Å; V111-F115 HydrophobicContact CG1-CD2 4.17Å; V111-F115 PolarHBondContact O-N 3.38Å
112R93.8Very high92.3Very high106 Ų10674.7 Ų74.740%0.438%0.376SS..Hα-helixtrans-57.2-35.1177.1-73.2-176.7-74.5174.8-1.2113.2L88 Y92 K108 Y109 F115L88-R112 HydrophobicContact CD2-CG 3.65Å; Y92-R112 HydrophobicContact CE1-CG 4.34Å; Y92-R112 VanDerWaalsContact OH-CD 3.32Å; Y92-R112 WeakPolarHBondContact OH-CD 3.24Å; Y92-R112 WeakPolarHBondContact OH-CG 3.45Å; K108-R112 WeakPolarHBondContact O-CG 3.47Å; K108-R112 PolarHBondContact O-N 3.46Å; K108-R112 PolarHBondContact O-NE 3.2Å; Y109-R112 PolarHBondContact O-N 3.25Å; R112-F115 CarbonylContact O-C 3.48Å
113R90.8Very high91.5Very high151 Ų15174.8 Ų74.857%0.5737%0.37SS*.Hα-helixtrans-74.3-33.9176.3-77.9-131.860.7166.61.5113.5Y109 R110 V111Y109-R113 HydrophobicContact CE1-CG 4.1Å; Y109-R113 HydrophobicContact CE2-CG 4.09Å; Y109-R113 PolarHBondContact O-N 3.36Å; Y109-R113 VanDerWaalsContact OH-CD 3.32Å; Y109-R113 WeakPolarHBondContact OH-CD 3.45Å; R110-R113 PolarHBondContact O-N 3.48Å; V111-R113 PolarHBondContact O-N 2.97Å
114K93Very high90.2Very high155 Ų15574.8 Ų74.867%0.67437%0.373SS*.Hα-helixtrans-77-35.2179-172.7175.5177.3-175.40111.7R110 V111R110-K114 WeakPolarHBondContact O-CB 3.36Å; R110-K114 PolarHBondContact O-N 2.94Å; V111-K114 PolarHBondContact O-N 3.28Å
115F93.3Very high88.7Confident70 Ų7079.7 Ų79.731%0.30738%0.383SS..SBendtrans-126.677.9-177.3-54.2-72.5000109.7W87 H91 V111 R112W87-F115 HydrophobicContact CZ2-CB 4.44Å; W87-F115 PolarHBondContact NE1-O 3.44Å; H91-F115 HydrophobicContact CB-CD2 4.37Å; H91-F115 AromaticContact CD2-CG 3.99Å; H91-F115 AromaticContact CE1-CD1 3.77Å; H91-F115 AromaticContact CE1-CG 3.71Å; H91-F115 AromaticContact CG-CD2 3.98Å; H91-F115 AromaticContact ND1-CD2 3.86Å; H91-F115 AromaticContact ND1-CG 3.91Å; H91-F115 AromaticContact NE2-CG 3.76Å; V111-F115 HydrophobicContact CG1-CD2 4.17Å; V111-F115 PolarHBondContact O-N 3.38Å; R112-F115 CarbonylContact O-C 3.48Å
116P91.4Very high87Confident85 Ų8583.5 Ų83.555%0.55239%0.387SS*.PPolyproline II helixtrans-62.4158.6177.528.8-35000110.8W87W87-P116 PolarHBondContact NE1-O 2.89Å
117L91.4Very high85.3Confident37 Ų3783.1 Ų83.119%0.19439%0.385CS..PPolyproline II helixtrans-64.8132.9176.2-66.7169.8000109.9Q84 W87 L88 I121 W122Q84-L117 HydrophobicContact CB-CD1 4.26Å; Q84-L117 HydrophobicContact CB-CD2 3.92Å; Q84-L117 HydrophobicContact CG-CD1 3.79Å; Q84-L117 HydrophobicContact CG-CD2 3.91Å; Q84-L117 HydrophobicContact CG-CG 4.42Å; W87-L117 HydrophobicContact CB-CD2 4.26Å; W87-L117 HydrophobicContact CG-CD2 4.06Å; L88-L117 HydrophobicContact CD2-CD2 4.42Å; L88-L117 HydrophobicContact CG-CD2 4.31Å; L117-I121 HydrophobicContact CD2-CD1 4.3Å; L117-W122 HydrophobicContact CB-CB 3.95Å; L117-W122 HydrophobicContact CB-CD2 4.29Å; L117-W122 HydrophobicContact CB-CE3 4.29Å; L117-W122 HydrophobicContact CB-CG 4.18Å; L117-W122 HydrophobicContact CD1-CB 4.5Å; L117-W122 HydrophobicContact CD1-CG 4.28Å
118P91.6Very high83.8Confident22 Ų2286.3 Ų86.314%0.14341%0.405CS..PPolyproline II helixtrans-69.9148.5176.226.8-30.4000111E71 W87 T120 I121 W122E71-P118 HydrophobicContact CG-CB 4.12Å; E71-P118 HydrophobicContact CG-CG 4.22Å; W87-P118 HydrophobicContact CD2-CG 4.44Å; W87-P118 HydrophobicContact CE3-CG 4.05Å; W87-P118 HydrophobicContact CH2-CG 4.23Å; W87-P118 HydrophobicContact CZ3-CG 3.94Å; P118-T120 WeakPolarHBondContact CB-OG1 3.18Å; P118-T120 PolarHBondContact O-N 3.01Å; P118-T120 VanDerWaalsContact O-N 3.07Å; P118-I121 HydrophobicContact CG-CD1 3.96Å; P118-I121 HydrophobicContact CG-CG1 3.9Å; P118-I121 PolarHBondContact O-N 3.41Å; P118-W122 PolarHBondContact O-N 3.48Å
119R87.7Confident82.5Confident153 Ų15389 Ų8958%0.57741%0.413SS*.G310 helixtrans-60.1-19.6-177.7-63.9-65.7-163.5-1638.5113.6Q74 I121 W122 G124Q74-R119 PolarHBondContact NE2-O 3.03Å; R119-I121 VanDerWaalsContact C-N 3.28Å; R119-I121 PolarHBondContact O-N 3.16Å; R119-W122 CarbonylContact C-O 3.51Å; R119-W122 WeakPolarHBondContact CA-O 3.4Å; R119-G124 PolarHBondContact NH1-O 2.96Å
120T89.9Confident81.8Confident19 Ų1987.9 Ų87.912%0.11742%0.418CS..G310 helixtrans-66-25.7175.243.80000114.3L70 E71 H73 Q74 F75 P118L70-T120 WeakPolarHBondContact O-CB 3.31Å; L70-T120 PolarHBondContact O-OG1 3.41Å; E71-T120 WeakPolarHBondContact O-CG2 3.01Å; H73-T120 VanDerWaalsContact O-CB 3.22Å; H73-T120 WeakPolarHBondContact O-CB 3.03Å; H73-T120 WeakPolarHBondContact O-CG2 3.24Å; Q74-T120 PolarHBondContact NE2-O 3.29Å; F75-T120 PolarHBondContact N-O 2.95Å; P118-T120 WeakPolarHBondContact CB-OG1 3.18Å; P118-T120 PolarHBondContact O-N 3.01Å; P118-T120 VanDerWaalsContact O-N 3.07Å
121I88.9Confident81.3Confident0 Ų083 Ų830%040%0.401CS..G310 helixtrans-124.514.6179.568.3179.7000112.1L70 F75 H80 L83 Q84 W87 L117 P118 R119L70-I121 HydrophobicContact CD1-CD1 4.22Å; L70-I121 HydrophobicContact CD2-CG2 4.25Å; F75-I121 HydrophobicContact CB-CG2 4.44Å; F75-I121 HydrophobicContact CD2-CG2 3.59Å; F75-I121 HydrophobicContact CE2-CG2 4.2Å; F75-I121 HydrophobicContact CG-CG2 4.27Å; H80-I121 WeakPolarHBondContact CB-O 3.46Å; H80-I121 VanDerWaalsContact CG-O 3.29Å; H80-I121 PolarHBondContact ND1-O 3.13Å; L83-I121 HydrophobicContact CB-CB 4.24Å; L83-I121 HydrophobicContact CB-CD1 4.32Å; L83-I121 HydrophobicContact CB-CG2 3.91Å; L83-I121 HydrophobicContact CD1-CG2 3.8Å; Q84-I121 HydrophobicContact CG-CD1 4.3Å; Q84-I121 HydrophobicContact CG-CG1 4.23Å; Q84-I121 WeakPolarHBondContact CG-O 3.41Å; Q84-I121 PolarHBondContact NE2-O 3.29Å; W87-I121 HydrophobicContact CB-CD1 4.16Å; L117-I121 HydrophobicContact CD2-CD1 4.3Å; P118-I121 HydrophobicContact CG-CD1 3.96Å; P118-I121 HydrophobicContact CG-CG1 3.9Å; P118-I121 PolarHBondContact O-N 3.41Å; R119-I121 VanDerWaalsContact C-N 3.28Å; R119-I121 PolarHBondContact O-N 3.16Å
122W87.6Confident80.9Confident56 Ų5690.5 Ų90.521%0.21243%0.433CS..  trans-153.2122.5-177.5-175.445.4000110.2L117 P118 R119 G124 E125L117-W122 HydrophobicContact CB-CB 3.95Å; L117-W122 HydrophobicContact CB-CD2 4.29Å; L117-W122 HydrophobicContact CB-CE3 4.29Å; L117-W122 HydrophobicContact CB-CG 4.18Å; L117-W122 HydrophobicContact CD1-CB 4.5Å; L117-W122 HydrophobicContact CD1-CG 4.28Å; P118-W122 PolarHBondContact O-N 3.48Å; R119-W122 CarbonylContact C-O 3.51Å; R119-W122 WeakPolarHBondContact CA-O 3.4Å; W122-G124 PolarHBondContact O-N 3.43Å; W122-G124 VanDerWaalsContact O-N 3.11Å; W122-E125 WeakPolarHBondContact CZ2-O 3.44Å
123D75.8Confident80.7Confident117 Ų11790.9 Ų90.963%0.62644%0.439SS*.  trans-57.5-18.7175.254.72000114
124G66.2Low80.7Confident14 Ų1492.1 Ų92.114%0.14445%0.449CS..  trans92.717166.300000115.6R119 W122 E126R119-G124 PolarHBondContact NH1-O 2.96Å; W122-G124 PolarHBondContact O-N 3.43Å; W122-G124 VanDerWaalsContact O-N 3.11Å; G124-E126 PolarHBondContact O-N 3.36Å
125E63.4Low80.7Confident151 Ų15185.3 Ų85.371%0.70642%0.421SS*.  trans-5993.8171.3-71-156.9154.200111.1W122 T127W122-E125 WeakPolarHBondContact CZ2-O 3.44Å; E125-T127 PolarHBondContact O-N 3.17Å
126E58.1Low80.6Confident164 Ų16486 Ų8677%0.76642%0.421SS*.  trans-62.3109.1-175.5-168.3172.4-160.800110.9G124 S128G124-E126 PolarHBondContact O-N 3.36Å; E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.83Å
127T57.6Low80.7Confident85 Ų8583 Ų8352%0.52141%0.407SS..  trans-70.693167.5-47.60000107.6E125 Y129E125-T127 PolarHBondContact O-N 3.17Å; T127-Y129 HydrophobicContact CG2-CD1 4.38Å; T127-Y129 HydrophobicContact CG2-CE1 3.92Å; T127-Y129 HydrophobicContact CG2-CE2 4.44Å; T127-Y129 WeakPolarHBondContact O-CD2 3.04Å; T127-Y129 WeakPolarHBondContact O-CE2 3.37Å; T127-Y129 PolarHBondContact O-N 3.35Å
128S62.5Low80.9Confident87 Ų8783.3 Ų83.361%0.60841%0.41SS*.  trans-65.4104.8173.5-176.20000109.3E126 C130E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.83Å; S128-C130 PolarHBondContact O-N 3.29Å; S128-C130 PolarHBondContact OG-O 3.2Å
129Y68Low81.1Confident135 Ų13582.3 Ų82.353%0.52940%0.403SS..  trans-76.6-6.8175.7-61-79.3000112.7Y109 T127Y109-Y129 HydrophobicContact CE2-CD1 4.45Å; T127-Y129 HydrophobicContact CG2-CD1 4.38Å; T127-Y129 HydrophobicContact CG2-CE1 3.92Å; T127-Y129 HydrophobicContact CG2-CE2 4.44Å; T127-Y129 WeakPolarHBondContact O-CD2 3.04Å; T127-Y129 WeakPolarHBondContact O-CE2 3.37Å; T127-Y129 PolarHBondContact O-N 3.35Å
130C77.1Confident81.5Confident69 Ų6980.8 Ų80.847%0.46640%0.397SS..SBendtrans-94140.8175.2-71.10000109.4S128S128-C130 PolarHBondContact O-N 3.29Å; S128-C130 PolarHBondContact OG-O 3.2Å
131F84.4Confident81.8Confident52 Ų5286 Ų8623%0.22842%0.42CS..PPolyproline II helixtrans-58.5153169.5-53.4-39000110.6R136 L139 L163 Q167 W171F131-R136 HydrophobicContact CB-CG 3.98Å; F131-R136 WeakPolarHBondContact O-CD 3.48Å; F131-R136 WeakPolarHBondContact O-CG 3.16Å; F131-L139 HydrophobicContact CD2-CD1 3.97Å; F131-L139 HydrophobicContact CE2-CD1 4.25Å; F131-L163 HydrophobicContact CB-CD1 4.39Å; F131-L163 HydrophobicContact CB-CD2 4.41Å; F131-L163 HydrophobicContact CD1-CD1 4.06Å; F131-L163 HydrophobicContact CD1-CD2 3.53Å; F131-L163 HydrophobicContact CD1-CG 4.47Å; F131-L163 HydrophobicContact CD2-CD1 3.54Å; F131-L163 HydrophobicContact CE1-CD1 4.2Å; F131-L163 HydrophobicContact CE1-CD2 3.85Å; F131-L163 HydrophobicContact CE2-CD1 3.68Å; F131-L163 HydrophobicContact CG-CD1 3.75Å; F131-L163 HydrophobicContact CG-CD2 3.93Å; F131-L163 HydrophobicContact CZ-CD1 4.03Å; F131-L163 HydrophobicContact CZ-CD2 4.47Å; F131-Q167 HydrophobicContact CE1-CB 4.19Å; F131-Q167 HydrophobicContact CE1-CG 4.16Å; F131-Q167 HydrophobicContact CZ-CB 3.79Å; F131-Q167 HydrophobicContact CZ-CG 4.16Å; F131-W171 AromaticContact CD2-CD1 3.87Å; F131-W171 HydrophobicContact CE2-CB 4.07Å; F131-W171 AromaticContact CE2-CD1 3.63Å; F131-W171 HydrophobicContact CE2-CG 4.16Å
132K86.3Confident82.1Confident173 Ų17389.7 Ų89.775%0.75243%0.434SS*.PPolyproline II helixtrans-54.1148.4174.9-66.2-176.1178-179.10110.3K134 S135 R136K132-K134 PolarHBondContact O-N 3.17Å; K132-S135 WeakPolarHBondContact O-CB 3.38Å; K132-S135 PolarHBondContact O-N 2.91Å; K132-R136 WeakPolarHBondContact O-CG 3.39Å; K132-R136 PolarHBondContact O-N 3.18Å
133E88.7Confident82.5Confident113 Ų11388.6 Ų88.653%0.52843%0.431SS..Hα-helixtrans-58.6-37.6-174.8-169.352.5-140.300112.3S135 R136 G137 R140E133-S135 PolarHBondContact O-N 3.34Å; E133-R136 WeakPolarHBondContact O-CB 3.3Å; E133-R136 PolarHBondContact O-N 3.2Å; E133-R136 IonicContact OE2-NE 3.62Å; E133-R136 PolarHBondContact OE2-NE 2.95Å; E133-G137 PolarHBondContact O-N 2.86Å; E133-R140 IonicContact OE1-CZ 3.17Å; E133-R140 IonicContact OE1-NH2 2.68Å; E133-R140 PolarHBondContact OE1-NH2 3.47Å
134K91.1Very high83.4Confident177 Ų17788.3 Ų88.377%0.7743%0.433SS*.Hα-helixtrans-55.2-51.6172.4-173.3176.9-179.5178.90112.3K132 R136 G137 V138K132-K134 PolarHBondContact O-N 3.17Å; K134-R136 VanDerWaalsContact C-N 3.31Å; K134-R136 PolarHBondContact O-N 2.81Å; K134-G137 PolarHBondContact O-N 2.91Å; K134-V138 PolarHBondContact O-N 3.12Å
135S92.9Very high84.8Confident13 Ų1394.9 Ų94.99%0.09146%0.46CS..Hα-helixtrans-62.5-38.3177.9-50.30000111.6K132 E133 L139 T161K132-S135 WeakPolarHBondContact O-CB 3.38Å; K132-S135 PolarHBondContact O-N 2.91Å; E133-S135 PolarHBondContact O-N 3.34Å; S135-L139 VanDerWaalsContact O-CG 3.29Å; S135-L139 WeakPolarHBondContact O-CG 3.01Å; S135-L139 PolarHBondContact O-N 3.26Å; S135-T161 PolarHBondContact OG-O 3.25Å
136R92.7Very high86.2Confident83 Ų8389.9 Ų89.931%0.31344%0.438SS..Hα-helixtrans-66.3-38176.4-66.9169.954.286.32.5112.4F131 K132 E133 K134 R140F131-R136 HydrophobicContact CB-CG 3.98Å; F131-R136 WeakPolarHBondContact O-CD 3.48Å; F131-R136 WeakPolarHBondContact O-CG 3.16Å; K132-R136 WeakPolarHBondContact O-CG 3.39Å; K132-R136 PolarHBondContact O-N 3.18Å; E133-R136 WeakPolarHBondContact O-CB 3.3Å; E133-R136 PolarHBondContact O-N 3.2Å; E133-R136 IonicContact OE2-NE 3.62Å; E133-R136 PolarHBondContact OE2-NE 2.95Å; K134-R136 VanDerWaalsContact C-N 3.31Å; K134-R136 PolarHBondContact O-N 2.81Å; R136-R140 WeakPolarHBondContact O-CB 3.4Å; R136-R140 VanDerWaalsContact O-CG 3.31Å; R136-R140 WeakPolarHBondContact O-CG 3.14Å; R136-R140 PolarHBondContact O-N 3.34Å
137G93.6Very high88Confident24 Ų2484.2 Ų84.225%0.24742%0.415CS..Hα-helixtrans-58.6-54.9176.400000111.2E133 K134 L139 R140 E141E133-G137 PolarHBondContact O-N 2.86Å; K134-G137 PolarHBondContact O-N 2.91Å; G137-L139 VanDerWaalsContact C-N 3.33Å; G137-L139 PolarHBondContact O-N 2.95Å; G137-R140 PolarHBondContact O-N 3.12Å; G137-R140 VanDerWaalsContact O-N 3.1Å; G137-E141 PolarHBondContact O-N 3.49Å
138V95.1Very high89.8Confident43 Ų4387 Ų8726%0.26142%0.417SS..Hα-helixtrans-56.3-45.8178.7176.50000111.7K134 R140 E141 W142 L157 T161K134-V138 PolarHBondContact O-N 3.12Å; V138-R140 PolarHBondContact O-N 3.44Å; V138-E141 PolarHBondContact O-N 2.87Å; V138-W142 WeakPolarHBondContact O-CB 3.37Å; V138-W142 PolarHBondContact O-N 2.91Å; V138-L157 HydrophobicContact CG1-CD2 4.09Å; V138-T161 HydrophobicContact CB-CG2 3.9Å; V138-T161 HydrophobicContact CG1-CG2 3.81Å
139L96.2Very high91.4Very high0 Ų083.3 Ų83.30%039%0.391CS..Hα-helixtrans-65-38.1178.8-67.7170.8000112.7F131 S135 G137 Y143 T161 L163 V168 W171 F172F131-L139 HydrophobicContact CD2-CD1 3.97Å; F131-L139 HydrophobicContact CE2-CD1 4.25Å; S135-L139 VanDerWaalsContact O-CG 3.29Å; S135-L139 WeakPolarHBondContact O-CG 3.01Å; S135-L139 PolarHBondContact O-N 3.26Å; G137-L139 VanDerWaalsContact C-N 3.33Å; G137-L139 PolarHBondContact O-N 2.95Å; L139-Y143 VanDerWaalsContact O-CB 3.3Å; L139-Y143 WeakPolarHBondContact O-CB 3.34Å; L139-Y143 PolarHBondContact O-N 3.35Å; L139-T161 HydrophobicContact CD2-CG2 4.33Å; L139-T161 HydrophobicContact CG-CG2 4.16Å; L139-L163 HydrophobicContact CD1-CD1 3.87Å; L139-V168 HydrophobicContact CD2-CG1 4.09Å; L139-V168 HydrophobicContact CD2-CG2 4.43Å; L139-W171 HydrophobicContact CB-CD2 3.96Å; L139-W171 HydrophobicContact CB-CE3 3.96Å; L139-W171 HydrophobicContact CB-CH2 3.82Å; L139-W171 HydrophobicContact CB-CZ2 3.78Å; L139-W171 HydrophobicContact CB-CZ3 3.9Å; L139-W171 HydrophobicContact CD1-CB 4.36Å; L139-W171 HydrophobicContact CD1-CD2 3.88Å; L139-W171 HydrophobicContact CD1-CE3 4.46Å; L139-W171 HydrophobicContact CD1-CG 3.8Å; L139-W171 HydrophobicContact CD2-CE3 4.47Å; L139-W171 HydrophobicContact CG-CD2 4.39Å; L139-W171 VanDerWaalsContact O-CH2 3.3Å; L139-W171 WeakPolarHBondContact O-CH2 3.37Å; L139-W171 WeakPolarHBondContact O-CZ3 3.45Å; L139-F172 HydrophobicContact CD2-CE2 3.74Å
140R95.5Very high92.8Very high122 Ų12279.1 Ų79.146%0.4638%0.381SS..Hα-helixtrans-67.4-46177.6-78.7-172.9-71.1142.6-9111.7E133 R136 G137 V138 Y143 T144 W171E133-R140 IonicContact OE1-CZ 3.17Å; E133-R140 IonicContact OE1-NH2 2.68Å; E133-R140 PolarHBondContact OE1-NH2 3.47Å; R136-R140 WeakPolarHBondContact O-CB 3.4Å; R136-R140 VanDerWaalsContact O-CG 3.31Å; R136-R140 WeakPolarHBondContact O-CG 3.14Å; R136-R140 PolarHBondContact O-N 3.34Å; G137-R140 PolarHBondContact O-N 3.12Å; G137-R140 VanDerWaalsContact O-N 3.1Å; V138-R140 PolarHBondContact O-N 3.44Å; R140-Y143 WeakPolarHBondContact O-CB 3.35Å; R140-Y143 PolarHBondContact O-N 3.43Å; R140-T144 PolarHBondContact O-N 2.89Å; R140-W171 HydrophobicContact CG-CH2 4.3Å; R140-W171 HydrophobicContact CG-CZ2 4.03Å
141E96.2Very high93.7Very high128 Ų12880.7 Ų80.760%0.59839%0.391SS*.Hα-helixtrans-62.4-42.8177.6-178.4176.9-165.700111.6G137 V138 Y143 T144 H145G137-E141 PolarHBondContact O-N 3.49Å; V138-E141 PolarHBondContact O-N 2.87Å; E141-Y143 VanDerWaalsContact C-N 3.32Å; E141-Y143 PolarHBondContact O-N 3.3Å; E141-T144 PolarHBondContact O-N 3.48Å; E141-T144 PolarHBondContact O-OG1 2.92Å; E141-H145 PolarHBondContact O-ND1 3.2Å
142W95.7Very high94.3Very high78 Ų7886.4 Ų86.430%0.29541%0.411SS..Hα-helixtrans-62.5-42.2174.8-166.7-76.7000111.9V138 T144 H145 N146 E153 L157 F172V138-W142 WeakPolarHBondContact O-CB 3.37Å; V138-W142 PolarHBondContact O-N 2.91Å; W142-T144 VanDerWaalsContact C-N 3.29Å; W142-T144 PolarHBondContact O-N 3.2Å; W142-H145 PolarHBondContact O-N 3.28Å; W142-N146 PolarHBondContact O-N 3.02Å; W142-E153 HydrophobicContact CH2-CG 4.43Å; W142-E153 HydrophobicContact CZ2-CB 3.91Å; W142-E153 HydrophobicContact CZ2-CG 3.86Å; W142-L157 HydrophobicContact CB-CD2 4.02Å; W142-L157 HydrophobicContact CD2-CD1 4.01Å; W142-L157 HydrophobicContact CD2-CD2 3.79Å; W142-L157 HydrophobicContact CD2-CG 4.15Å; W142-L157 HydrophobicContact CE3-CD2 3.76Å; W142-L157 HydrophobicContact CE3-CG 4.33Å; W142-L157 HydrophobicContact CG-CD1 3.94Å; W142-L157 HydrophobicContact CG-CD2 3.91Å; W142-L157 HydrophobicContact CG-CG 4.42Å; W142-L157 HydrophobicContact CZ3-CD2 4.5Å; W142-F172 HydrophobicContact CB-CZ 4.28Å; W142-F172 AromaticContact CD1-CE1 3.96Å; W142-F172 AromaticContact CD1-CZ 3.68Å; W142-F172 HydrophobicContact CG-CZ 4.19Å
143Y96.3Very high94.8Very high33 Ų3380.6 Ų80.613%0.12939%0.386CS..Hα-helixtrans-62.2-33.3-176.1-172.8-92.7000113.6L139 R140 E141 H145 P147 W171 F172 R175 R176 D179L139-Y143 VanDerWaalsContact O-CB 3.3Å; L139-Y143 WeakPolarHBondContact O-CB 3.34Å; L139-Y143 PolarHBondContact O-N 3.35Å; R140-Y143 WeakPolarHBondContact O-CB 3.35Å; R140-Y143 PolarHBondContact O-N 3.43Å; E141-Y143 VanDerWaalsContact C-N 3.32Å; E141-Y143 PolarHBondContact O-N 3.3Å; Y143-H145 PolarHBondContact O-N 3.22Å; Y143-P147 HydrophobicContact CD2-CB 3.97Å; Y143-P147 HydrophobicContact CE1-CB 4.41Å; Y143-P147 HydrophobicContact CE2-CB 3.55Å; Y143-W171 HydrophobicContact CD2-CH2 4.49Å; Y143-W171 AromaticContact CD2-CZ3 3.94Å; Y143-W171 HydrophobicContact CD2-CZ3 3.94Å; Y143-W171 HydrophobicContact CG-CH2 4.34Å; Y143-W171 HydrophobicContact CG-CZ3 4.19Å; Y143-F172 AromaticContact CD2-CD1 3.63Å; Y143-F172 HydrophobicContact CD2-CD1 3.63Å; Y143-F172 AromaticContact CD2-CE1 3.76Å; Y143-F172 HydrophobicContact CD2-CE1 3.76Å; Y143-F172 HydrophobicContact CE2-CD1 4.24Å; Y143-F172 HydrophobicContact CG-CE1 4.48Å; Y143-R175 HydrophobicContact CD1-CG 4.03Å; Y143-R175 HydrophobicContact CD2-CB 4.32Å; Y143-R175 HydrophobicContact CD2-CG 3.9Å; Y143-R175 HydrophobicContact CE1-CG 3.7Å; Y143-R175 HydrophobicContact CE2-CB 3.91Å; Y143-R175 HydrophobicContact CE2-CG 3.57Å; Y143-R175 HydrophobicContact CG-CG 4.11Å; Y143-R175 VanDerWaalsContact CZ-CG 3.45Å; Y143-R176 HydrophobicContact CE2-CG 3.8Å; Y143-R176 WeakPolarHBondContact OH-CA 3.33Å; Y143-R176 VanDerWaalsContact OH-CG 3.29Å; Y143-R176 WeakPolarHBondContact OH-CG 3.28Å; Y143-R176 PolarHBondContact OH-N 2.94Å; Y143-D179 WeakPolarHBondContact CE1-OD2 3.44Å; Y143-D179 VanDerWaalsContact CZ-OD2 3.25Å; Y143-D179 PolarHBondContact OH-OD2 3.08Å
144T94.8Very high95.2Very high111 Ų11178 Ų7868%0.68137%0.373SS*.Hα-helixtrans-66.6-27.7176.557.10000112.3R140 E141 W142R140-T144 PolarHBondContact O-N 2.89Å; E141-T144 PolarHBondContact O-N 3.48Å; E141-T144 PolarHBondContact O-OG1 2.92Å; W142-T144 VanDerWaalsContact C-N 3.29Å; W142-T144 PolarHBondContact O-N 3.2Å
145H93.7Very high95.5Very high152 Ų15276.1 Ų76.170%0.70436%0.361SS*.Hα-helixtrans-88.4-48.3178.1-63.788.7000111.7E141 W142 Y143E141-H145 PolarHBondContact O-ND1 3.2Å; W142-H145 PolarHBondContact O-N 3.28Å; Y143-H145 PolarHBondContact O-N 3.22Å
146N93.4Very high95.7Very high46 Ų4679 Ų7925%0.24637%0.373CS..  trans-143.2104.5-177.9-177.75.1000111.8W142 Y148W142-N146 PolarHBondContact O-N 3.02Å; N146-Y148 VanDerWaalsContact C-N 3.25Å; N146-Y148 PolarHBondContact O-N 3.48Å; N146-Y148 PolarHBondContact OD1-N 2.53Å; N146-Y148 PolarHBondContact OD1-O 2.89Å
147P95.3Very high95.8Very high44 Ų4475.2 Ų75.229%0.28636%0.359SS..SBendtrans-76.7-6178.326.3-28.6000114.2Y143 F172 R176Y143-P147 HydrophobicContact CD2-CB 3.97Å; Y143-P147 HydrophobicContact CE1-CB 4.41Å; Y143-P147 HydrophobicContact CE2-CB 3.55Å; P147-F172 WeakPolarHBondContact O-CD1 3.46Å; P147-R176 PolarHBondContact O-NH1 2.98Å
148Y97Very high96Very high145 Ų14574.5 Ų74.557%0.56935%0.351SS*.SBendtrans-127.971.4-178.6-64.6-93.2000111.7N146N146-Y148 VanDerWaalsContact C-N 3.25Å; N146-Y148 PolarHBondContact O-N 3.48Å; N146-Y148 PolarHBondContact OD1-N 2.53Å; N146-Y148 PolarHBondContact OD1-O 2.89Å
149P95.9Very high96.1Very high9 Ų979.3 Ų79.36%0.05837%0.371CS..  trans-66.3138.8178.228.2-35.5000111.7E153 K154 L157 F172P149-E153 HydrophobicContact CB-CB 3.93Å; P149-K154 HydrophobicContact CB-CG 4.09Å; P149-K154 HydrophobicContact CG-CG 3.95Å; P149-K154 VanDerWaalsContact O-CE 3.25Å; P149-K154 WeakPolarHBondContact O-CE 3.3Å; P149-L157 HydrophobicContact CB-CD1 4.26Å; P149-L157 HydrophobicContact CG-CD1 4.45Å; P149-F172 VanDerWaalsContact CD-CD1 3.47Å; P149-F172 HydrophobicContact CG-CD1 3.82Å; P149-F172 HydrophobicContact CG-CD2 4Å; P149-F172 HydrophobicContact CG-CE1 3.82Å; P149-F172 HydrophobicContact CG-CE2 4.02Å; P149-F172 HydrophobicContact CG-CG 3.92Å; P149-F172 HydrophobicContact CG-CZ 3.93Å
150S97.2Very high96Very high46 Ų4682.6 Ų82.632%0.32240%0.398SS..  trans-65.6165.8172.5700000112R152 E153 K154S150-R152 PolarHBondContact O-N 3.28Å; S150-E153 WeakPolarHBondContact CA-OE2 3.31Å; S150-E153 WeakPolarHBondContact CB-OE2 3.32Å; S150-E153 PolarHBondContact N-OE2 3.43Å; S150-E153 PolarHBondContact O-N 3.33Å; S150-E153 WeakPolarHBondContact OG-CG 3.4Å; S150-E153 PolarHBondContact OG-N 3.3Å; S150-E153 PolarHBondContact OG-OE2 3.07Å; S150-K154 VanDerWaalsContact O-CG 3.31Å; S150-K154 WeakPolarHBondContact O-CG 3.44Å; S150-K154 PolarHBondContact O-N 2.95Å
151P96.6Very high95.9Very high103 Ų10377.3 Ų77.367%0.66938%0.379SS*.Hα-helixtrans-55.7-34.6176.9-26.936000114.1R155P151-R155 PolarHBondContact O-N 3.42Å
152R96.7Very high95.9Very high172 Ų17274.6 Ų74.665%0.64939%0.386SS*.Hα-helixtrans-69.8-51.3176.8177.9-178.6165.4178.7-0.6111.1S150 K154 R155 E156S150-R152 PolarHBondContact O-N 3.28Å; R152-K154 PolarHBondContact O-N 3.05Å; R152-R155 WeakPolarHBondContact O-CA 3.14Å; R152-R155 VanDerWaalsContact O-CB 3.29Å; R152-R155 WeakPolarHBondContact O-CB 3.32Å; R152-R155 PolarHBondContact O-N 3.45Å; R152-E156 IonicContact CZ-OE1 3.62Å; R152-E156 IonicContact NE-OE1 2.88Å; R152-E156 PolarHBondContact NE-OE1 3.06Å; R152-E156 IonicContact NH2-OE1 3.48Å; R152-E156 PolarHBondContact NH2-OE1 3.11Å; R152-E156 PolarHBondContact O-N 3.24Å
153E96.6Very high95.8Very high50 Ų5072.1 Ų72.123%0.23438%0.378CS..Hα-helixtrans-61.1-34.9179.1-68.3163.3122.100111.6W142 P149 S150 R155 E156 L157W142-E153 HydrophobicContact CH2-CG 4.43Å; W142-E153 HydrophobicContact CZ2-CB 3.91Å; W142-E153 HydrophobicContact CZ2-CG 3.86Å; P149-E153 HydrophobicContact CB-CB 3.93Å; S150-E153 WeakPolarHBondContact CA-OE2 3.31Å; S150-E153 WeakPolarHBondContact CB-OE2 3.32Å; S150-E153 PolarHBondContact N-OE2 3.43Å; S150-E153 PolarHBondContact O-N 3.33Å; S150-E153 WeakPolarHBondContact OG-CG 3.4Å; S150-E153 PolarHBondContact OG-N 3.3Å; S150-E153 PolarHBondContact OG-OE2 3.07Å; E153-R155 VanDerWaalsContact C-N 3.26Å; E153-R155 PolarHBondContact O-N 3.5Å; E153-E156 PolarHBondContact O-N 3.44Å; E153-L157 WeakPolarHBondContact O-CB 3.31Å; E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.37Å; E153-L157 PolarHBondContact O-N 3.02Å
154K97.1Very high95.8Very high58 Ų5874.1 Ų74.125%0.25239%0.394SS..Hα-helixtrans-62.3-32.9172.6-74.4170.4174.8-176.90113.1P149 S150 R152 A158 V168 S169P149-K154 HydrophobicContact CB-CG 4.09Å; P149-K154 HydrophobicContact CG-CG 3.95Å; P149-K154 VanDerWaalsContact O-CE 3.25Å; P149-K154 WeakPolarHBondContact O-CE 3.3Å; S150-K154 VanDerWaalsContact O-CG 3.31Å; S150-K154 WeakPolarHBondContact O-CG 3.44Å; S150-K154 PolarHBondContact O-N 2.95Å; R152-K154 PolarHBondContact O-N 3.05Å; K154-A158 VanDerWaalsContact O-CB 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.4Å; K154-A158 PolarHBondContact O-N 3.02Å; K154-V168 HydrophobicContact CG-CG1 4.47Å; K154-S169 WeakPolarHBondContact CD-OG 3.34Å; K154-S169 PolarHBondContact NZ-OG 2.9Å
155R97Very high95.9Very high139 Ų13972 Ų7253%0.52538%0.38SS..Hα-helixtrans-72.1-44.7175.7-166.2-177.7-62.4116.3-1.2110.5P151 R152 E153 L157 A158 E159 T165P151-R155 PolarHBondContact O-N 3.42Å; R152-R155 WeakPolarHBondContact O-CA 3.14Å; R152-R155 VanDerWaalsContact O-CB 3.29Å; R152-R155 WeakPolarHBondContact O-CB 3.32Å; R152-R155 PolarHBondContact O-N 3.45Å; E153-R155 VanDerWaalsContact C-N 3.26Å; E153-R155 PolarHBondContact O-N 3.5Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-L157 PolarHBondContact O-N 3.16Å; R155-A158 WeakPolarHBondContact O-CB 3.48Å; R155-A158 PolarHBondContact O-N 2.88Å; R155-A158 VanDerWaalsContact O-N 3.15Å; R155-E159 WeakPolarHBondContact O-CG 3.43Å; R155-E159 PolarHBondContact O-N 3.11Å; R155-T165 HydrophobicContact CB-CG2 4.47Å
156E96.8Very high96Very high73 Ų7369 Ų6934%0.34137%0.373SS..Hα-helixtrans-60.6-42.6175.3-65.9169.4-17500111.3R152 E153 E159 A160R152-E156 IonicContact CZ-OE1 3.62Å; R152-E156 IonicContact NE-OE1 2.88Å; R152-E156 PolarHBondContact NE-OE1 3.06Å; R152-E156 IonicContact NH2-OE1 3.48Å; R152-E156 PolarHBondContact NH2-OE1 3.11Å; R152-E156 PolarHBondContact O-N 3.24Å; E153-E156 PolarHBondContact O-N 3.44Å; E156-E159 PolarHBondContact O-N 3.09Å; E156-A160 WeakPolarHBondContact O-CB 3.32Å; E156-A160 PolarHBondContact O-N 3.13Å
157L96.3Very high96Very high3 Ų370.4 Ų70.42%0.01638%0.378CS..Hα-helixtrans-65-39.4173.9-76.6167.6000112.8V138 W142 P149 E153 R155 A160 T161 V168 F172V138-L157 HydrophobicContact CG1-CD2 4.09Å; W142-L157 HydrophobicContact CB-CD2 4.02Å; W142-L157 HydrophobicContact CD2-CD1 4.01Å; W142-L157 HydrophobicContact CD2-CD2 3.79Å; W142-L157 HydrophobicContact CD2-CG 4.15Å; W142-L157 HydrophobicContact CE3-CD2 3.76Å; W142-L157 HydrophobicContact CE3-CG 4.33Å; W142-L157 HydrophobicContact CG-CD1 3.94Å; W142-L157 HydrophobicContact CG-CD2 3.91Å; W142-L157 HydrophobicContact CG-CG 4.42Å; W142-L157 HydrophobicContact CZ3-CD2 4.5Å; P149-L157 HydrophobicContact CB-CD1 4.26Å; P149-L157 HydrophobicContact CG-CD1 4.45Å; E153-L157 WeakPolarHBondContact O-CB 3.31Å; E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.37Å; E153-L157 PolarHBondContact O-N 3.02Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-L157 PolarHBondContact O-N 3.16Å; L157-A160 PolarHBondContact O-N 2.97Å; L157-T161 VanDerWaalsContact O-CB 3.28Å; L157-T161 WeakPolarHBondContact O-CB 3.4Å; L157-T161 VanDerWaalsContact O-CG2 3.24Å; L157-T161 WeakPolarHBondContact O-CG2 3.38Å; L157-T161 PolarHBondContact O-N 2.75Å; L157-T161 PolarHBondContact O-OG1 3.32Å; L157-V168 HydrophobicContact CB-CG1 3.97Å; L157-V168 HydrophobicContact CD1-CG1 4.16Å; L157-F172 HydrophobicContact CD1-CE2 3.76Å; L157-F172 HydrophobicContact CD1-CZ 3.85Å
158A96.8Very high96.1Very high9 Ų968.3 Ų68.37%0.07437%0.365CS..Hα-helixtrans-61-46.7175.700000110.9K154 R155 T161 G162 L163 T165 V168K154-A158 VanDerWaalsContact O-CB 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.4Å; K154-A158 PolarHBondContact O-N 3.02Å; R155-A158 WeakPolarHBondContact O-CB 3.48Å; R155-A158 PolarHBondContact O-N 2.88Å; R155-A158 VanDerWaalsContact O-N 3.15Å; A158-T161 PolarHBondContact O-N 2.81Å; A158-G162 WeakPolarHBondContact O-CA 3.29Å; A158-G162 PolarHBondContact O-N 3.02Å; A158-L163 CarbonylContact C-O 3.59Å; A158-L163 VanDerWaalsContact CA-O 3.31Å; A158-L163 WeakPolarHBondContact CA-O 2.91Å; A158-L163 WeakPolarHBondContact CB-O 3.4Å; A158-L163 PolarHBondContact O-N 3.46Å; A158-L163 VanDerWaalsContact O-N 3.12Å; A158-T165 HydrophobicContact CB-CG2 3.78Å; A158-V168 HydrophobicContact CB-CG2 4.19Å
159E96.4Very high96.1Very high144 Ų14463.1 Ų63.167%0.67335%0.35SS*.Hα-helixtrans-61.2-48.7175.5-71.2168.8-166.400111.8R155 E156 T161R155-E159 WeakPolarHBondContact O-CG 3.43Å; R155-E159 PolarHBondContact O-N 3.11Å; E156-E159 PolarHBondContact O-N 3.09Å; E159-T161 VanDerWaalsContact C-N 3.32Å; E159-T161 PolarHBondContact O-N 3.24Å
160A94.8Very high96.1Very high69 Ų6966.4 Ų66.457%0.5737%0.367SS*.Hα-helixtrans-65.7-32.1-179.100000113.6E156 L157E156-A160 WeakPolarHBondContact O-CB 3.32Å; E156-A160 PolarHBondContact O-N 3.13Å; L157-A160 PolarHBondContact O-N 2.97Å
161T94.6Very high96Very high12 Ų1265.5 Ų65.57%0.07436%0.356CS..Hα-helixtrans-96.7-11.8-175.860.40000114.1S135 V138 L139 L157 A158 E159 L163S135-T161 PolarHBondContact OG-O 3.25Å; V138-T161 HydrophobicContact CB-CG2 3.9Å; V138-T161 HydrophobicContact CG1-CG2 3.81Å; L139-T161 HydrophobicContact CD2-CG2 4.33Å; L139-T161 HydrophobicContact CG-CG2 4.16Å; L157-T161 VanDerWaalsContact O-CB 3.28Å; L157-T161 WeakPolarHBondContact O-CB 3.4Å; L157-T161 VanDerWaalsContact O-CG2 3.24Å; L157-T161 WeakPolarHBondContact O-CG2 3.38Å; L157-T161 PolarHBondContact O-N 2.75Å; L157-T161 PolarHBondContact O-OG1 3.32Å; A158-T161 PolarHBondContact O-N 2.81Å; E159-T161 VanDerWaalsContact C-N 3.32Å; E159-T161 PolarHBondContact O-N 3.24Å; T161-L163 PolarHBondContact O-N 3.48Å; T161-L163 WeakPolarHBondContact OG1-CB 3.2Å; T161-L163 WeakPolarHBondContact OG1-CG 3.43Å; T161-L163 PolarHBondContact OG1-N 3.21Å
162G94.5Very high96Very high71 Ų7160.7 Ų60.773%0.73233%0.325SS*.THydrogen-bonded Turntrans66.422.5-170.500000113.4A158A158-G162 WeakPolarHBondContact O-CA 3.29Å; A158-G162 PolarHBondContact O-N 3.02Å
163L94.7Very high96Very high25 Ų2557.7 Ų57.713%0.13132%0.316CS..  trans-102.2161.6178.2-60.3178000110.3F131 L139 A158 T161 Q167 V168F131-L163 HydrophobicContact CB-CD1 4.39Å; F131-L163 HydrophobicContact CB-CD2 4.41Å; F131-L163 HydrophobicContact CD1-CD1 4.06Å; F131-L163 HydrophobicContact CD1-CD2 3.53Å; F131-L163 HydrophobicContact CD1-CG 4.47Å; F131-L163 HydrophobicContact CD2-CD1 3.54Å; F131-L163 HydrophobicContact CE1-CD1 4.2Å; F131-L163 HydrophobicContact CE1-CD2 3.85Å; F131-L163 HydrophobicContact CE2-CD1 3.68Å; F131-L163 HydrophobicContact CG-CD1 3.75Å; F131-L163 HydrophobicContact CG-CD2 3.93Å; F131-L163 HydrophobicContact CZ-CD1 4.03Å; F131-L163 HydrophobicContact CZ-CD2 4.47Å; L139-L163 HydrophobicContact CD1-CD1 3.87Å; A158-L163 CarbonylContact C-O 3.59Å; A158-L163 VanDerWaalsContact CA-O 3.31Å; A158-L163 WeakPolarHBondContact CA-O 2.91Å; A158-L163 WeakPolarHBondContact CB-O 3.4Å; A158-L163 PolarHBondContact O-N 3.46Å; A158-L163 VanDerWaalsContact O-N 3.12Å; T161-L163 PolarHBondContact O-N 3.48Å; T161-L163 WeakPolarHBondContact OG1-CB 3.2Å; T161-L163 WeakPolarHBondContact OG1-CG 3.43Å; T161-L163 PolarHBondContact OG1-N 3.21Å; L163-Q167 HydrophobicContact CB-CB 4.23Å; L163-V168 HydrophobicContact CB-CG2 4.06Å; L163-V168 HydrophobicContact CD1-CG2 4.48Å
164T95.7Very high95.9Very high75 Ų7558.6 Ų58.646%0.4632%0.323SS..  trans-74151169.462.60000111T166 Q167 V168T164-T166 PolarHBondContact O-N 3.04Å; T164-T166 VanDerWaalsContact O-N 3.16Å; T164-Q167 WeakPolarHBondContact O-CB 3.38Å; T164-Q167 PolarHBondContact O-N 2.69Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.41Å; T164-Q167 VanDerWaalsContact OG1-CD 3.27Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.16Å; T164-Q167 PolarHBondContact OG1-N 3.03Å; T164-Q167 PolarHBondContact OG1-OE1 3.04Å; T164-V168 PolarHBondContact O-N 3.24Å
165T96Very high95.8Very high66 Ų6660.3 Ų60.341%0.40533%0.328SS..Hα-helixtrans-55.9-32.517552.90000112.8R155 A158 S169R155-T165 HydrophobicContact CB-CG2 4.47Å; A158-T165 HydrophobicContact CB-CG2 3.78Å; T165-S169 WeakPolarHBondContact O-CB 3.48Å; T165-S169 PolarHBondContact O-N 3.29Å; T165-S169 PolarHBondContact O-OG 3.31Å
166T96.3Very high95.8Very high89 Ų8956.1 Ų56.155%0.54631%0.312SS..Hα-helixtrans-66.9-44.9173.2-57.30000112T164 S169 N170T164-T166 PolarHBondContact O-N 3.04Å; T164-T166 VanDerWaalsContact O-N 3.16Å; T166-S169 PolarHBondContact O-N 2.65Å; T166-N170 WeakPolarHBondContact O-CB 3.29Å; T166-N170 VanDerWaalsContact O-CG 3.3Å; T166-N170 PolarHBondContact O-N 3.24Å; T166-N170 PolarHBondContact O-ND2 2.84Å
167Q94.6Very high95.7Very high77 Ų7757 Ų5736%0.3632%0.316SS..Hα-helixtrans-61.4-43.6175.7-79.3165.4-35.500111.6F131 L163 T164 N170 W171F131-Q167 HydrophobicContact CE1-CB 4.19Å; F131-Q167 HydrophobicContact CE1-CG 4.16Å; F131-Q167 HydrophobicContact CZ-CB 3.79Å; F131-Q167 HydrophobicContact CZ-CG 4.16Å; L163-Q167 HydrophobicContact CB-CB 4.23Å; T164-Q167 WeakPolarHBondContact O-CB 3.38Å; T164-Q167 PolarHBondContact O-N 2.69Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.41Å; T164-Q167 VanDerWaalsContact OG1-CD 3.27Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.16Å; T164-Q167 PolarHBondContact OG1-N 3.03Å; T164-Q167 PolarHBondContact OG1-OE1 3.04Å; Q167-N170 PolarHBondContact O-N 2.89Å; Q167-W171 WeakPolarHBondContact O-CB 3.3Å; Q167-W171 PolarHBondContact O-N 3.33Å
168V96.2Very high95.6Very high0 Ų063.2 Ų63.20%034%0.339CS..Hα-helixtrans-60.9-50.6174.31770000110.1L139 K154 L157 A158 L163 T164 N170 W171 F172L139-V168 HydrophobicContact CD2-CG1 4.09Å; L139-V168 HydrophobicContact CD2-CG2 4.43Å; K154-V168 HydrophobicContact CG-CG1 4.47Å; L157-V168 HydrophobicContact CB-CG1 3.97Å; L157-V168 HydrophobicContact CD1-CG1 4.16Å; A158-V168 HydrophobicContact CB-CG2 4.19Å; L163-V168 HydrophobicContact CB-CG2 4.06Å; L163-V168 HydrophobicContact CD1-CG2 4.48Å; T164-V168 PolarHBondContact O-N 3.24Å; V168-N170 VanDerWaalsContact C-N 3.3Å; V168-N170 PolarHBondContact O-N 3.46Å; V168-W171 WeakPolarHBondContact O-CB 3.39Å; V168-W171 PolarHBondContact O-N 2.95Å; V168-W171 VanDerWaalsContact O-N 3.07Å; V168-F172 HydrophobicContact CG1-CD2 3.91Å; V168-F172 HydrophobicContact CG1-CE2 3.86Å; V168-F172 WeakPolarHBondContact O-CD2 3.2Å; V168-F172 PolarHBondContact O-N 3.45Å; V168-F172 VanDerWaalsContact O-N 3.09Å
169S96.5Very high95.4Very high36 Ų3664.4 Ų64.425%0.25234%0.344SS..Hα-helixtrans-55.7-44.6178.3-66.70000112.6K154 T165 T166 K173K154-S169 WeakPolarHBondContact CD-OG 3.34Å; K154-S169 PolarHBondContact NZ-OG 2.9Å; T165-S169 WeakPolarHBondContact O-CB 3.48Å; T165-S169 PolarHBondContact O-N 3.29Å; T165-S169 PolarHBondContact O-OG 3.31Å; T166-S169 PolarHBondContact O-N 2.65Å; S169-K173 WeakPolarHBondContact O-CB 3.11Å; S169-K173 PolarHBondContact O-N 3.16Å
170N95.9Very high95.3Very high78 Ų7863.6 Ų63.642%0.41734%0.335SS..Hα-helixtrans-66.6-37.7177.6-75.6-23.6000112.2T166 Q167 V168 K173 N174T166-N170 WeakPolarHBondContact O-CB 3.29Å; T166-N170 VanDerWaalsContact O-CG 3.3Å; T166-N170 PolarHBondContact O-N 3.24Å; T166-N170 PolarHBondContact O-ND2 2.84Å; Q167-N170 PolarHBondContact O-N 2.89Å; V168-N170 VanDerWaalsContact C-N 3.3Å; V168-N170 PolarHBondContact O-N 3.46Å; N170-K173 PolarHBondContact O-N 3.48Å; N170-N174 VanDerWaalsContact O-CB 3.27Å; N170-N174 WeakPolarHBondContact O-CB 3.22Å; N170-N174 PolarHBondContact O-N 2.97Å; N170-N174 PolarHBondContact O-ND2 3.2Å
171W95.9Very high95Very high27 Ų2762.9 Ų62.910%0.10233%0.329CS..Hα-helixtrans-61.4-49.2177.5-17396.9000111.6F131 L139 R140 Y143 Q167 V168 N174 R175F131-W171 AromaticContact CD2-CD1 3.87Å; F131-W171 HydrophobicContact CE2-CB 4.07Å; F131-W171 AromaticContact CE2-CD1 3.63Å; F131-W171 HydrophobicContact CE2-CG 4.16Å; L139-W171 HydrophobicContact CB-CD2 3.96Å; L139-W171 HydrophobicContact CB-CE3 3.96Å; L139-W171 HydrophobicContact CB-CH2 3.82Å; L139-W171 HydrophobicContact CB-CZ2 3.78Å; L139-W171 HydrophobicContact CB-CZ3 3.9Å; L139-W171 HydrophobicContact CD1-CB 4.36Å; L139-W171 HydrophobicContact CD1-CD2 3.88Å; L139-W171 HydrophobicContact CD1-CE3 4.46Å; L139-W171 HydrophobicContact CD1-CG 3.8Å; L139-W171 HydrophobicContact CD2-CE3 4.47Å; L139-W171 HydrophobicContact CG-CD2 4.39Å; L139-W171 VanDerWaalsContact O-CH2 3.3Å; L139-W171 WeakPolarHBondContact O-CH2 3.37Å; L139-W171 WeakPolarHBondContact O-CZ3 3.45Å; R140-W171 HydrophobicContact CG-CH2 4.3Å; R140-W171 HydrophobicContact CG-CZ2 4.03Å; Y143-W171 HydrophobicContact CD2-CH2 4.49Å; Y143-W171 AromaticContact CD2-CZ3 3.94Å; Y143-W171 HydrophobicContact CD2-CZ3 3.94Å; Y143-W171 HydrophobicContact CG-CH2 4.34Å; Y143-W171 HydrophobicContact CG-CZ3 4.19Å; Q167-W171 WeakPolarHBondContact O-CB 3.3Å; Q167-W171 PolarHBondContact O-N 3.33Å; V168-W171 WeakPolarHBondContact O-CB 3.39Å; V168-W171 PolarHBondContact O-N 2.95Å; V168-W171 VanDerWaalsContact O-N 3.07Å; W171-N174 PolarHBondContact O-N 3.01Å; W171-R175 HydrophobicContact CE3-CB 4.38Å; W171-R175 HydrophobicContact CH2-CB 4.37Å; W171-R175 HydrophobicContact CH2-CG 4.17Å; W171-R175 HydrophobicContact CZ3-CB 4.18Å; W171-R175 HydrophobicContact CZ3-CG 4.33Å; W171-R175 WeakPolarHBondContact O-CB 3.3Å; W171-R175 PolarHBondContact O-N 3.36Å
172F97.1Very high94.7Very high2 Ų264.3 Ų64.31%0.00934%0.343CS..Hα-helixtrans-63.8-43178.6-84.1-93.6000111.6L139 W142 Y143 P147 P149 L157 V168 N174 R175 R176L139-F172 HydrophobicContact CD2-CE2 3.74Å; W142-F172 HydrophobicContact CB-CZ 4.28Å; W142-F172 AromaticContact CD1-CE1 3.96Å; W142-F172 AromaticContact CD1-CZ 3.68Å; W142-F172 HydrophobicContact CG-CZ 4.19Å; Y143-F172 AromaticContact CD2-CD1 3.63Å; Y143-F172 HydrophobicContact CD2-CD1 3.63Å; Y143-F172 AromaticContact CD2-CE1 3.76Å; Y143-F172 HydrophobicContact CD2-CE1 3.76Å; Y143-F172 HydrophobicContact CE2-CD1 4.24Å; Y143-F172 HydrophobicContact CG-CE1 4.48Å; P147-F172 WeakPolarHBondContact O-CD1 3.46Å; P149-F172 VanDerWaalsContact CD-CD1 3.47Å; P149-F172 HydrophobicContact CG-CD1 3.82Å; P149-F172 HydrophobicContact CG-CD2 4Å; P149-F172 HydrophobicContact CG-CE1 3.82Å; P149-F172 HydrophobicContact CG-CE2 4.02Å; P149-F172 HydrophobicContact CG-CG 3.92Å; P149-F172 HydrophobicContact CG-CZ 3.93Å; L157-F172 HydrophobicContact CD1-CE2 3.76Å; L157-F172 HydrophobicContact CD1-CZ 3.85Å; V168-F172 HydrophobicContact CG1-CD2 3.91Å; V168-F172 HydrophobicContact CG1-CE2 3.86Å; V168-F172 WeakPolarHBondContact O-CD2 3.2Å; V168-F172 PolarHBondContact O-N 3.45Å; V168-F172 VanDerWaalsContact O-N 3.09Å; F172-N174 PolarHBondContact O-N 3.25Å; F172-R175 PolarHBondContact O-N 3.17Å; F172-R176 WeakPolarHBondContact O-CG 3.37Å; F172-R176 PolarHBondContact O-N 3.46Å
173K95.9Very high94.5Very high109 Ų10965.3 Ų65.347%0.47433%0.328SS..Hα-helixtrans-56.3-50.9173.8-179.9-177.5176-179.70111.3S169 N170 R175 R176 Q177S169-K173 WeakPolarHBondContact O-CB 3.11Å; S169-K173 PolarHBondContact O-N 3.16Å; N170-K173 PolarHBondContact O-N 3.48Å; K173-R175 VanDerWaalsContact C-N 3.34Å; K173-R175 PolarHBondContact O-N 3.42Å; K173-R176 PolarHBondContact O-N 3.46Å; K173-Q177 WeakPolarHBondContact O-CG 3.24Å; K173-Q177 PolarHBondContact O-N 2.7Å; K173-Q177 VanDerWaalsContact O-N 3.09Å
174N94.5Very high94.2Very high69 Ų6966.3 Ų66.337%0.36934%0.34SS..Hα-helixtrans-68.6-32.7-177.7-69.2-13.8000112.3N170 W171 F172 R178N170-N174 VanDerWaalsContact O-CB 3.27Å; N170-N174 WeakPolarHBondContact O-CB 3.22Å; N170-N174 PolarHBondContact O-N 2.97Å; N170-N174 PolarHBondContact O-ND2 3.2Å; W171-N174 PolarHBondContact O-N 3.01Å; F172-N174 PolarHBondContact O-N 3.25Å; N174-R178 WeakPolarHBondContact O-CG 3.3Å; N174-R178 PolarHBondContact O-N 3.44Å; N174-R178 VanDerWaalsContact O-N 3.15Å; N174-R178 PolarHBondContact O-NE 2.98Å
175R95.4Very high93.7Very high93 Ų9369.9 Ų69.935%0.35135%0.349SS..Hα-helixtrans-65.2-51175.2-174.859.1175.4140.9-6.6111Y143 W171 F172 K173 Q177 R178 D179Y143-R175 HydrophobicContact CD1-CG 4.03Å; Y143-R175 HydrophobicContact CD2-CB 4.32Å; Y143-R175 HydrophobicContact CD2-CG 3.9Å; Y143-R175 HydrophobicContact CE1-CG 3.7Å; Y143-R175 HydrophobicContact CE2-CB 3.91Å; Y143-R175 HydrophobicContact CE2-CG 3.57Å; Y143-R175 HydrophobicContact CG-CG 4.11Å; Y143-R175 VanDerWaalsContact CZ-CG 3.45Å; W171-R175 HydrophobicContact CE3-CB 4.38Å; W171-R175 HydrophobicContact CH2-CB 4.37Å; W171-R175 HydrophobicContact CH2-CG 4.17Å; W171-R175 HydrophobicContact CZ3-CB 4.18Å; W171-R175 HydrophobicContact CZ3-CG 4.33Å; W171-R175 WeakPolarHBondContact O-CB 3.3Å; W171-R175 PolarHBondContact O-N 3.36Å; F172-R175 PolarHBondContact O-N 3.17Å; K173-R175 VanDerWaalsContact C-N 3.34Å; K173-R175 PolarHBondContact O-N 3.42Å; R175-Q177 VanDerWaalsContact C-N 3.28Å; R175-Q177 PolarHBondContact O-N 2.64Å; R175-R178 WeakPolarHBondContact O-CB 3.38Å; R175-R178 PolarHBondContact O-N 2.72Å; R175-D179 IonicContact CZ-OD1 3.11Å; R175-D179 IonicContact NE-OD1 3.28Å; R175-D179 IonicContact NH1-OD1 2.69Å; R175-D179 PolarHBondContact NH1-OD1 2.8Å; R175-D179 IonicContact NH2-OD1 3.29Å; R175-D179 PolarHBondContact O-N 3.49Å
176R97.2Very high93.2Very high51 Ų5172.9 Ų72.919%0.19236%0.359CS..Hα-helixtrans-59.5-36.1176.3-66.1-166.5-57.7-89.61.8113.4Y143 P147 F172 K173 R180Y143-R176 HydrophobicContact CE2-CG 3.8Å; Y143-R176 WeakPolarHBondContact OH-CA 3.33Å; Y143-R176 VanDerWaalsContact OH-CG 3.29Å; Y143-R176 WeakPolarHBondContact OH-CG 3.28Å; Y143-R176 PolarHBondContact OH-N 2.94Å; P147-R176 PolarHBondContact O-NH1 2.98Å; F172-R176 WeakPolarHBondContact O-CG 3.37Å; F172-R176 PolarHBondContact O-N 3.46Å; K173-R176 PolarHBondContact O-N 3.46Å; R176-R180 PolarHBondContact O-N 2.97Å; R176-R180 VanDerWaalsContact O-N 3.14Å
177Q94.7Very high92.6Very high92 Ų9276.5 Ų76.543%0.4336%0.362SS..Hα-helixtrans-64.5-39.6174.6-77.2-179.7-14.300112.5K173 R175 A181K173-Q177 WeakPolarHBondContact O-CG 3.24Å; K173-Q177 PolarHBondContact O-N 2.7Å; K173-Q177 VanDerWaalsContact O-N 3.09Å; R175-Q177 VanDerWaalsContact C-N 3.28Å; R175-Q177 PolarHBondContact O-N 2.64Å; Q177-A181 WeakPolarHBondContact O-CB 3.43Å; Q177-A181 PolarHBondContact O-N 2.85Å; Q177-A181 VanDerWaalsContact O-N 3.13Å
178R93.1Very high91.9Very high134 Ų13479 Ų7951%0.50637%0.374SS..Hα-helixtrans-67.8-39.3177-77.8177.5-74.4-128.9-0.4112.1N174 R175 A181 A182N174-R178 WeakPolarHBondContact O-CG 3.3Å; N174-R178 PolarHBondContact O-N 3.44Å; N174-R178 VanDerWaalsContact O-N 3.15Å; N174-R178 PolarHBondContact O-NE 2.98Å; R175-R178 WeakPolarHBondContact O-CB 3.38Å; R175-R178 PolarHBondContact O-N 2.72Å; R178-A181 PolarHBondContact O-N 3.16Å; R178-A182 PolarHBondContact O-N 3.21Å
179D92.7Very high90.9Very high34 Ų3483.9 Ų83.918%0.18240%0.4CS..Hα-helixtrans-66.6-47.6-179.5-61.2-4.9000110.5Y143 R175 A181 A182 E183Y143-D179 WeakPolarHBondContact CE1-OD2 3.44Å; Y143-D179 VanDerWaalsContact CZ-OD2 3.25Å; Y143-D179 PolarHBondContact OH-OD2 3.08Å; R175-D179 IonicContact CZ-OD1 3.11Å; R175-D179 IonicContact NE-OD1 3.28Å; R175-D179 IonicContact NH1-OD1 2.69Å; R175-D179 PolarHBondContact NH1-OD1 2.8Å; R175-D179 IonicContact NH2-OD1 3.29Å; R175-D179 PolarHBondContact O-N 3.49Å; D179-A181 VanDerWaalsContact C-N 3.28Å; D179-A181 PolarHBondContact O-N 2.77Å; D179-A182 WeakPolarHBondContact O-CB 3.45Å; D179-A182 PolarHBondContact O-N 2.89Å; D179-E183 WeakPolarHBondContact O-CG 3.29Å; D179-E183 PolarHBondContact O-N 3.11Å
180R94.4Very high89.8Confident126 Ų12685.7 Ų85.748%0.47541%0.412SS..Hα-helixtrans-58.4-37.9173.1-72.3-166.3-61.6-86.32.7113.4R176 A182 A184R176-R180 PolarHBondContact O-N 2.97Å; R176-R180 VanDerWaalsContact O-N 3.14Å; R180-A182 VanDerWaalsContact C-N 3.34Å; R180-A184 WeakPolarHBondContact O-CB 3.35Å; R180-A184 PolarHBondContact O-N 3.09Å
181A88.8Confident88.2Confident54 Ų5488.6 Ų88.645%0.44642%0.423SS..Hα-helixtrans-70.8-30.7177.600000112.6Q177 R178 D179 K185Q177-A181 WeakPolarHBondContact O-CB 3.43Å; Q177-A181 PolarHBondContact O-N 2.85Å; Q177-A181 VanDerWaalsContact O-N 3.13Å; R178-A181 PolarHBondContact O-N 3.16Å; D179-A181 VanDerWaalsContact C-N 3.28Å; D179-A181 PolarHBondContact O-N 2.77Å; A181-K185 WeakPolarHBondContact O-CG 3.41Å; A181-K185 PolarHBondContact O-N 3.18Å
182A88.6Confident86.4Confident43 Ų4393.5 Ų93.536%0.35545%0.452SS..Hα-helixtrans-71.3-47173.300000110.9R178 D179 R180 A184 K185 E186R178-A182 PolarHBondContact O-N 3.21Å; D179-A182 WeakPolarHBondContact O-CB 3.45Å; D179-A182 PolarHBondContact O-N 2.89Å; R180-A182 VanDerWaalsContact C-N 3.34Å; A182-A184 VanDerWaalsContact C-N 3.31Å; A182-A184 PolarHBondContact O-N 3.48Å; A182-K185 PolarHBondContact O-N 3.42Å; A182-K185 VanDerWaalsContact O-N 3.14Å; A182-E186 WeakPolarHBondContact O-CG 3.3Å; A182-E186 PolarHBondContact O-N 3.31Å
183E90.5Very high84.5Confident92 Ų9299 Ų9943%0.4348%0.482SS..Hα-helixtrans-58-40.9176.1-70.1167.6-156.200112.2D179 E186 R187D179-E183 WeakPolarHBondContact O-CG 3.29Å; D179-E183 PolarHBondContact O-N 3.11Å; E183-E186 PolarHBondContact O-N 3.48Å; E183-R187 WeakPolarHBondContact O-CG 3.46Å; E183-R187 PolarHBondContact O-N 3.29Å; E183-R187 VanDerWaalsContact O-N 3.08Å
184A87.6Confident82.4Confident46 Ų46100.3 Ų100.338%0.3849%0.494SS..Hα-helixtrans-62.1-43.3176.500000112.1R180 A182 R187 E188R180-A184 WeakPolarHBondContact O-CB 3.35Å; R180-A184 PolarHBondContact O-N 3.09Å; A182-A184 VanDerWaalsContact C-N 3.31Å; A182-A184 PolarHBondContact O-N 3.48Å; A184-R187 PolarHBondContact O-N 3.4Å; A184-E188 PolarHBondContact O-N 3.42Å; A184-E188 VanDerWaalsContact O-N 3.11Å
185K86.6Confident80.3Confident150 Ų150102 Ų10265%0.65251%0.511SS*.Hα-helixtrans-67.1-36.8177.1-74.3-177.5175.4-166.80112.9A181 A182 R187 N189A181-K185 WeakPolarHBondContact O-CG 3.41Å; A181-K185 PolarHBondContact O-N 3.18Å; A182-K185 PolarHBondContact O-N 3.42Å; A182-K185 VanDerWaalsContact O-N 3.14Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-N189 WeakPolarHBondContact O-CB 3.46Å; K185-N189 PolarHBondContact O-N 3.33Å
186E84.8Confident77.9Confident129 Ų129100.7 Ų100.760%0.60353%0.526SS*.Hα-helixtrans-66-37177.2-74.2172.5-175.700111.7A182 E183 S190A182-E186 WeakPolarHBondContact O-CG 3.3Å; A182-E186 PolarHBondContact O-N 3.31Å; E183-E186 PolarHBondContact O-N 3.48Å; E186-S190 WeakPolarHBondContact O-CB 3.3Å; E186-S190 PolarHBondContact O-N 2.91Å; E186-S190 PolarHBondContact O-OG 3.39Å
187R82.9Confident75.4Confident164 Ų164105.3 Ų105.362%0.61955%0.554SS**Hα-helixtrans-65.6-49173.6-70.2176.4-168.8173.45.6112.1E183 A184 K185 N189 S190 E191E183-R187 WeakPolarHBondContact O-CG 3.46Å; E183-R187 PolarHBondContact O-N 3.29Å; E183-R187 VanDerWaalsContact O-N 3.08Å; A184-R187 PolarHBondContact O-N 3.4Å; K185-R187 VanDerWaalsContact C-N 3.32Å; R187-N189 VanDerWaalsContact C-N 3.27Å; R187-N189 PolarHBondContact O-N 3.49Å; R187-S190 PolarHBondContact O-N 2.98Å; R187-S190 VanDerWaalsContact O-N 3.08Å; R187-E191 WeakPolarHBondContact O-CG 3.26Å; R187-E191 PolarHBondContact O-N 3.18Å
188E80.3Confident73.1Confident131 Ų131108.3 Ų108.361%0.61257%0.574SS**Hα-helixtrans-55.9-41.6176.3-73.7174.5175.600112A184 N192A184-E188 PolarHBondContact O-N 3.42Å; A184-E188 VanDerWaalsContact O-N 3.11Å; E188-N192 PolarHBondContact O-N 3.3Å
189N74.7Confident70.7Confident102 Ų102112.1 Ų112.155%0.54559%0.594SS.*Hα-helixtrans-72.4-30.1179.3-162.446.1000113.1K185 R187 N193K185-N189 WeakPolarHBondContact O-CB 3.46Å; K185-N189 PolarHBondContact O-N 3.33Å; R187-N189 VanDerWaalsContact C-N 3.27Å; R187-N189 PolarHBondContact O-N 3.49Å; N189-N193 PolarHBondContact O-N 3.19Å; N189-N193 PolarHBondContact O-ND2 3.36Å
190S73.3Confident68.4Low73 Ų73119.3 Ų119.351%0.5163%0.626SS.*Hα-helixtrans-75.7-36.8177.6-58.60000112E186 R187 N193 N194E186-S190 WeakPolarHBondContact O-CB 3.3Å; E186-S190 PolarHBondContact O-N 2.91Å; E186-S190 PolarHBondContact O-OG 3.39Å; R187-S190 PolarHBondContact O-N 2.98Å; R187-S190 VanDerWaalsContact O-N 3.08Å; S190-N193 PolarHBondContact O-N 3.17Å; S190-N194 PolarHBondContact O-N 3.28Å
191E62.4Low65.6Low139 Ų139120.5 Ų120.565%0.6564%0.642SS**Hα-helixtrans-67.2-36.2174.8-71.5176.4171.200112.1R187 S195R187-E191 WeakPolarHBondContact O-CG 3.26Å; R187-E191 PolarHBondContact O-N 3.18Å; E191-S195 PolarHBondContact O-N 3.46Å; E191-S195 PolarHBondContact O-OG 3.22Å
192N59.1Low63.2Low130 Ų130127 Ų12770%0.69566%0.663SS**Hα-helixtrans-68.2-34.3173.3-109.511.1000113.1E188E188-N192 PolarHBondContact O-N 3.3Å
193N57.3Low60.7Low119 Ų119132.3 Ų132.364%0.63669%0.685SS**Hα-helixtrans-78.9-27.1178-81.7-26.9000113.4N189 S190 S195N189-N193 PolarHBondContact O-N 3.19Å; N189-N193 PolarHBondContact O-ND2 3.36Å; S190-N193 PolarHBondContact O-N 3.17Å; N193-S195 VanDerWaalsContact C-N 3.35Å
194N51.6Low58.2Low136 Ų136133.2 Ų133.273%0.72770%0.701SS**Hα-helixtrans-83.3-11.2178.8-153.225.7000113.5S190 G196S190-N194 PolarHBondContact O-N 3.28Å; N194-G196 VanDerWaalsContact C-N 3.26Å; N194-G196 PolarHBondContact O-N 3.49Å
195S49.9Very low56.7Low105 Ų105136.3 Ų136.373%0.73472%0.718SS**THydrogen-bonded Turntrans-81.1-2.2171.3-640000113.6E191 N193E191-S195 PolarHBondContact O-N 3.46Å; E191-S195 PolarHBondContact O-OG 3.22Å; N193-S195 VanDerWaalsContact C-N 3.35Å
196G46.4Very low54.2Low64 Ų64137 Ų13766%0.6673%0.727SS**THydrogen-bonded Turntrans-91.4-8.4-178.100000116.3N194N194-G196 VanDerWaalsContact C-N 3.26Å; N194-G196 PolarHBondContact O-N 3.49Å
197N44.2Very low51.9Low148 Ų148138.1 Ų138.179%0.79174%0.738SS**SBendtrans-119.821.8-165.4-132.138.4000116.5
198N45.2Very low49.7Very low156 Ų156133.3 Ų133.383%0.83474%0.739SS**  trans-142.461.5172.7-142.811.1000114.5
199K43.9Very low47.7Very low213 Ų213130.3 Ų130.393%0.92674%0.744SS**  trans-138.277.2158.6-75.1-170.7178.1175.40110.5
200Q43.8Very low46.2Very low185 Ų185135.2 Ų135.286%0.86476%0.76SS**  trans-93.6127.9149.9-92.6-177.4-8.500108.7
201N36.7Very low44.1Very low151 Ų151136.6 Ų136.681%0.80777%0.77SS**  trans59.8103.1167-76.1-9000118.2
202Q37.4Very low43Very low190 Ų190137.5 Ų137.589%0.88878%0.778SS**  -163134.3109.7-81.1-116.854.900109.7
203L35.8Very low41.8Very low155 Ų155140.3 Ų140.381%0.81279%0.79SS**  trans-63.4140.6176.1-60.4100.9000110
204S38.8Very low40.5Very low112 Ų112139.4 Ų139.478%0.78379%0.793SS**  170.8167.682.1-52.90000108.5
205P55.1Low39.7Very low111 Ų111138.1 Ų138.172%0.72179%0.794SS**  trans-97.7148.6-160.937.5-29.9000112.8
206L35.2Very low38.9Very low163 Ų163138.2 Ų138.285%0.85380%0.795SS**  trans-172.1135.3133.5-121.693.3000111.6
207D35.9Very low38.4Very low153 Ų153143.8 Ų143.882%0.81880%0.804SS**  trans75.3120.1138.2-138.911.3000121.9
208G36.4Very low37.9Very low63 Ų63144.8 Ų144.865%0.64981%0.809SS**  7094.711200000116.4
209G38.4Very low37.3Very low69 Ų69145.7 Ų145.771%0.71181%0.808SS**  trans-64.6-169.1177.300000116.1
210K43.1Very low36.8Very low204 Ų204145.1 Ų145.189%0.88781%0.806SS**  trans719416551.3173.7176.61780117.8
211S30.1Very low36.4Very low102 Ų102140 Ų14071%0.71379%0.791SS**  trans-153.7116.4135.8-91.70000110.3
212L38.6Very low36.5Very low159 Ų159138.3 Ų138.383%0.83279%0.788SS**  89.386.8102.5-71.1169.1000111.4S214L212-S214 PolarHBondContact O-N 3.29Å
213M34.5Very low36.6Very low189 Ų189135.3 Ų135.393%0.93179%0.785SS**  trans-76.5101158.4-167.3102153.700106.8S215M213-S215 PolarHBondContact O-N 3.5Å
214S30.4Very low36.5Very low100 Ų100137 Ų13770%0.69979%0.789SS**  trans-71.4112.6166.4-1750000108L212 S216L212-S214 PolarHBondContact O-N 3.29Å; S214-S216 PolarHBondContact O-N 3.34Å
215S33.8Very low36.4Very low108 Ų108136.6 Ų136.676%0.75579%0.786SS**  trans-72.6117.5164.5-70.70000108.2M213M213-S215 PolarHBondContact O-N 3.5Å
216S33.6Very low35.8Very low108 Ų108137.4 Ų137.476%0.75579%0.791SS**  trans-118136157.8-66.50000108.3S214S214-S216 PolarHBondContact O-N 3.34Å
217E35.9Very low35.9Very low181 Ų181137.4 Ų137.485%0.84679%0.792SS**  trans-91.8124.2-161-49.8174.1118.300107.1
218D32.8Very low36Very low168 Ų168138.5 Ų138.590%0.89879%0.792SS**  trans-126.1107.7159.8-87.3-56.8000109
219E33.4Very low35.9Very low175 Ų175143.1 Ų143.182%0.81880%0.802SS**  trans-63.9118.6175.9-157.4-158.513000109.7
220F32.5Very low35.7Very low201 Ų201145.3 Ų145.388%0.88281%0.806SS**  trans-126.1105.3165.7-158.7-93.9000110.2
221S36.6Very low35.1Very low79 Ų79141.4 Ų141.455%0.55280%0.8SS**PPolyproline II helixtrans-61.3151.3177.3-82.80000113.2
222P37.8Very low35.3Very low115 Ų115145 Ų14575%0.74781%0.81SS**PPolyproline II helixtrans-79.7144.8-178.931.3-32000112.2
223P39.3Very low35.2Very low126 Ų126144.5 Ų144.582%0.81881%0.807SS**PPolyproline II helixtrans-75.1131.3177.728.6-31.5000111.8
224Q34.7Very low35.1Very low190 Ų190143.6 Ų143.689%0.88881%0.805SS**PPolyproline II helixtrans-61.3147.4172.7-74.7175.5-45.600112.5
225S36.8Very low35.2Very low104 Ų104147.6 Ų147.673%0.72781%0.813SS**PPolyproline II helixtrans-64.6148166.333.80000111.9D227S225-D227 PolarHBondContact O-N 2.74Å
226P42.8Very low35Very low128 Ų128146.4 Ų146.483%0.83182%0.818SS**PPolyproline II helixtrans-82118.1179.530.9-29.7000111.2
227D36.5Very low34.8Very low163 Ų163148.1 Ų148.187%0.87282%0.819SS**PPolyproline II helixtrans-78.7152.9158.6-85.5-40.5000110.9S225S225-D227 PolarHBondContact O-N 2.74Å
228Q38.4Very low34.8Very low176 Ų176146.6 Ų146.682%0.82281%0.813SS**PPolyproline II helixtrans-85.7141-175.4-64174.9-13.500111.9
229N34.5Very low34.8Very low160 Ų160143.3 Ų143.386%0.85680%0.803SS**  trans63.1111.9151-73.4-6.4000121.1
230S33.2Very low34.9Very low115 Ų115143.5 Ų143.580%0.80480%0.804SS**  trans-78.4120.2159.645.20000113.1
231V31.8Very low35.2Very low123 Ų123139.9 Ų139.975%0.74580%0.8SS**  trans19.3125.6136.6-169.90000119.4L233V231-L233 HydrophobicContact CG1-CG 4.23Å
232L34.2Very low35Very low178 Ų178139.8 Ų139.893%0.93281%0.812SS**  trans-120.1125.5146.7-111.1171.2000109
233L35.4Very low34.8Very low147 Ų147140.9 Ų140.977%0.7782%0.817SS**  trans-82.2134.1175.9-81.8154.6000110.9V231V231-L233 HydrophobicContact CG1-CG 4.23Å
234L33.7Very low34.4Very low171 Ų171140.6 Ų140.690%0.89582%0.817SS**  trans-155.9137.4133.5-152.867.4000111.6
235Q32.4Very low34.3Very low184 Ų184134.4 Ų134.486%0.8680%0.795SS**  trans-66.1154.3177.6-76148.2-17.200113.3
236G28.2Very low34.3Very low83 Ų83139.9 Ų139.986%0.85680%0.801SS**  trans171.8119.4164.200000114.2
237N30.4Very low34.8Very low144 Ų144139.1 Ų139.177%0.7780%0.796SS**  trans-88.9154.2-167.4-144.929.1000113.2
238M35.1Very low34.7Very low149 Ų149139.9 Ų139.973%0.73480%0.797SS**  trans70.8126142.9-66.1-70.2171.400124.2
239S32.5Very low34.4Very low99 Ų99137.7 Ų137.769%0.69280%0.796SS**  95.9131.2123.765.40000123.3
240H36.2Very low34.3Very low178 Ų178133.1 Ų133.182%0.82479%0.786SS**  trans74.2133.6159.9-70.9-72.2000122.2
241P39.2Very low34.3Very low125 Ų125136.6 Ų136.681%0.81280%0.795SS**PPolyproline II helixtrans-101.6122.9141.932.8-21.8000110.4
242G32.1Very low34.2Very low78 Ų78134.3 Ų134.380%0.80480%0.797SS**PPolyproline II helixtrans-92.7134169.600000111
243V33.3Very low34Very low138 Ų138129.7 Ų129.784%0.83679%0.791SS**PPolyproline II helixtrans-65.4139.2174.2-175.90000110.3
244S31.9Very low34Very low119 Ų119127.7 Ų127.783%0.83280%0.796SS**  trans-158.8119.4138.5-151.80000112.4
245S31.1Very low34.1Very low61 Ų61128.4 Ų128.443%0.42780%0.795SS.*  trans-75.3156166.5410000112.2
246Y37Very low34.7Very low218 Ų218124.5 Ų124.586%0.85579%0.785SS**  147154.1125.4-72.5-54.8000113.9
247P52.9Low35.1Very low112 Ų112126.5 Ų126.573%0.72778%0.781SS**  trans-116.2178.3-141.141.5-29.4000112.8
248M35.1Very low35.5Very low180 Ų180128.8 Ų128.889%0.88779%0.786SS**  trans-156.7147.2147.8-108.1-57.2-178.100112.9
249T32.9Very low35.3Very low130 Ų130124.6 Ų124.680%0.79878%0.781SS**  trans-81.7165.4-169.640.30000116
250G31.2Very low35.4Very low63 Ų63127.1 Ų127.165%0.64978%0.784SS**  trans128.698.6146.600000113.9
251L33.5Very low35.4Very low188 Ų188126.5 Ų126.598%0.98478%0.781SS**  91.3118.486-96.1158000113.8
252G30.4Very low34.9Very low76 Ų76124 Ų12478%0.78478%0.779SS**  trans116.8103.5138.400000118.7
253G30.5Very low35.1Very low80 Ų80129.5 Ų129.583%0.82578%0.783SS**  98.5126.7121.600000120.5
254A34.9Very low35.5Very low105 Ų105128.3 Ų128.387%0.86878%0.778SS**  trans89.5109.8149.300000120.2
255Q34.8Very low35.5Very low186 Ų186131.3 Ų131.387%0.86978%0.778SS**  trans-68.7175.9145.5-78.4-150-23.400110.6
256P46.6Very low35.6Very low102 Ų102136.2 Ų136.266%0.66280%0.795SS**  cis-136.7176.41232.6-9.9000115
257V36.2Very low35.5Very low125 Ų125133.4 Ų133.476%0.75879%0.793SS**  151.8134.3127.4-75.40000112.7
258H38.5Very low34.5Very low192 Ų192137.4 Ų137.489%0.88980%0.803SS**  trans43.7121.5158.3-78.4-74.4000118.9
259G30.4Very low34.4Very low61 Ų61135.5 Ų135.563%0.62980%0.796SS**  cis108.168.645.800000110.8
260M33.9Very low34.3Very low152 Ų152134.3 Ų134.375%0.74979%0.793SS**  trans69.1111.6141-54.8-7375.700121.9
261H36.2Very low34.5Very low166 Ų166139 Ų13977%0.76980%0.802SS**  trans68.7124.7132.3-66.390.4000119.8
262G30.1Very low34.9Very low73 Ų73138 Ų13875%0.75380%0.797SS**  cis106.789.411.400000112.9
263H35.5Very low35.4Very low192 Ų192137.7 Ų137.789%0.88979%0.794SS**  trans-86.3165.9144.8-87.5-66.3000108
264P41.8Very low35.8Very low114 Ų114139.5 Ų139.574%0.7479%0.792SS**  cis-132.1159.1-5.234.7-15.5000114.3
265H32.3Very low35.9Very low181 Ų181143.3 Ų143.384%0.83880%0.796SS**  trans-113.5114.5159.6-100.3-69.1000106.8
266Q32.6Very low36.2Very low165 Ų165140.3 Ų140.377%0.77179%0.791SS**  68.7107.670.6-149.6176.447.500113.9
267L34.5Very low35.7Very low158 Ų158141 Ų14183%0.82780%0.798SS**  trans0.5132.1152.1-61.5164.9000118
268Q32.6Very low35.6Very low197 Ų197141 Ų14192%0.92180%0.803SS**  trans-133.8118.9148.1-160.8127.724.700110.4
269D32.2Very low35.4Very low140 Ų140139.7 Ų139.775%0.74980%0.802SS**  trans-70.5159.2167.2-95.7-58000112.5
270S32.6Very low36.1Very low104 Ų104143.2 Ų143.273%0.72781%0.811SS**  trans108.4142.2145.3-54.70000119.5
271L33.8Very low36.3Very low161 Ų161143 Ų14384%0.84381%0.813SS**  trans95.4104.4173.4-52.8172.5000112.7
272L43.3Very low36.3Very low167 Ų167143.3 Ų143.387%0.87482%0.819SS**  cis-159.1135.739.1-70.9165.4000112.8
273G40.5Very low36.5Very low71 Ų71142.6 Ų142.673%0.73281%0.813SS**  trans28.2138.6146.100000124.8
274P37.5Very low36.6Very low118 Ų118143.1 Ų143.177%0.76684%0.837SS**  trans-83.9133.716733.2-29.2000111.9
275L38.1Very low36.4Very low184 Ų184144.6 Ų144.696%0.96384%0.842SS**  trans-94.4104.8168.3-69.6176.7000109.6
276T40.9Very low36.6Very low123 Ų123142.6 Ų142.676%0.75584%0.843SS**  trans-112.7134.4166.6590000110.2
277S35.8Very low36.8Very low116 Ų116141.4 Ų141.481%0.81185%0.847SS**  trans60.9117.9150.4-150.50000119.9
278S34.2Very low36.9Very low125 Ų125140.4 Ų140.487%0.87485%0.848SS**  -168.6105.2128.1-79.70000109.7
279L35.4Very low37.2Very low166 Ų166136.9 Ų136.987%0.86984%0.843SS**  trans-136.2100.7165.4-168.2140000107.1
280V44.6Very low37.5Very low135 Ų135136.7 Ų136.782%0.81885%0.849SS**  trans-160107.2158.4-82.90000104.9
281D37.9Very low37.9Very low148 Ų148139 Ų13979%0.79186%0.858SS**  90.4129.992.6-165.331.4000111.3
282L35.1Very low38.2Very low171 Ų171137.3 Ų137.390%0.89586%0.859SS**  trans177.195.9149.6-94.8174.5000107.9
283G35.3Very low37.8Very low59 Ų59134.8 Ų134.861%0.60886%0.858SS**  trans-88.4127.5151.500000110.1
284S38.1Very low37.5Very low202 Ų202140.6 Ų140.6100%1.41387%0.869SS**  trans167.90140.3-73.50000108.4

Retrieved 284 of 284 residues in 1393 ms (Link to these results)

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