A0A087YMI4_POEFO Loading...

DEP domain containing 1B

AlphaFold DB , UniProt , Accession A0A087YMI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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
1M40.1Very low58.6Low221 Ų221113.5 Ų113.5100%1.08966%0.655SS**  0113.40-87-175.1-92.300106.9G3M1-G3 PolarHBondContact O-N 3.2Å
2E36.8Very low60.4Low205 Ų205112.6 Ų112.696%0.95863%0.632SS**  trans-65.1103.8177.6-69.2175.4158.500109
3G47.1Very low61.8Low38 Ų38109.9 Ų109.939%0.39263%0.633SS.*  trans-86.8119.8-17800000111M1 V5M1-G3 PolarHBondContact O-N 3.2Å; G3-V5 PolarHBondContact O-N 3.45Å; G3-V5 VanDerWaalsContact O-N 3.1Å
4Q54Low63.2Low169 Ų169107.4 Ų107.479%0.7962%0.621SS**  trans-64.3107.4169.8-167.117318.100108.5I6Q4-I6 PolarHBondContact O-N 3.25Å; Q4-I6 VanDerWaalsContact O-N 3.16Å
5V62.2Low64.4Low103 Ų103108.7 Ų108.762%0.62462%0.616SS**  trans-61120178.5179.20000108.8G3 G7G3-V5 PolarHBondContact O-N 3.45Å; G3-V5 VanDerWaalsContact O-N 3.1Å; V5-G7 PolarHBondContact O-N 3.28Å
6I68.3Low65.6Low29 Ų29103.1 Ų103.115%0.14958%0.584CS.*  trans-77.498178-60.2-172.5000107.8Q4 R12 K15 L16 E19 N62Q4-I6 PolarHBondContact O-N 3.25Å; Q4-I6 VanDerWaalsContact O-N 3.16Å; I6-R12 HydrophobicContact CG2-CG 4.15Å; I6-R12 PolarHBondContact O-NE 3.1Å; I6-K15 HydrophobicContact CD1-CB 4.13Å; I6-K15 HydrophobicContact CG2-CB 4.14Å; I6-K15 HydrophobicContact CG2-CD 4.35Å; I6-L16 HydrophobicContact CB-CD2 4.33Å; I6-L16 HydrophobicContact CD1-CD2 3.98Å; I6-L16 HydrophobicContact CD1-CG 4.34Å; I6-L16 HydrophobicContact CG1-CD2 4.49Å; I6-E19 HydrophobicContact CD1-CB 4.31Å; I6-E19 WeakPolarHBondContact CD1-OE2 3.34Å; I6-N62 PolarHBondContact N-OD1 3.42Å; I6-N62 VanDerWaalsContact N-OD1 3.15Å
7G62.8Low66.8Low51 Ų51101.3 Ų101.353%0.52657%0.566SS.*  trans-57.5158.5179.900000114.2V5 G9V5-G7 PolarHBondContact O-N 3.28Å; G7-G9 PolarHBondContact O-N 2.61Å
8A62.6Low67.8Low104 Ų10499 Ų9986%0.8655%0.552SS**SBendtrans-65.7112.1176.200000110.6
9G71.1Confident68.7Low40 Ų4096.4 Ų96.441%0.41254%0.535SS..  trans-162.7172.1178.400000111.5G7 R12G7-G9 PolarHBondContact O-N 2.61Å; G9-R12 WeakPolarHBondContact O-CB 3.19Å; G9-R12 PolarHBondContact O-N 2.89Å
10P63.4Low69.6Low106 Ų10691.6 Ų91.669%0.68851%0.509SS*.THydrogen-bonded Turntrans-58.6142.7178.625.2-33.2000110.6R12P10-R12 VanDerWaalsContact C-N 3.28Å; P10-R12 PolarHBondContact O-N 3.5Å
11Y76.4Confident70.4Confident182 Ų18287.5 Ų87.571%0.71449%0.486SS*.THydrogen-bonded Turntrans63.920.7-177.7-45-78.7000115.9A13 T14 K15Y11-A13 VanDerWaalsContact C-N 3.28Å; Y11-A13 PolarHBondContact O-N 3.33Å; Y11-T14 WeakPolarHBondContact O-CB 3.5Å; Y11-T14 PolarHBondContact O-N 3.4Å; Y11-K15 PolarHBondContact O-N 3.25Å
12R79.9Confident72.5Confident103 Ų10384.6 Ų84.639%0.38947%0.467SS..Hα-helixtrans-51.8-43.7176.2179.1170.2-178.9-110.1-2.4113.2I6 G9 P10 T14 K15 L16I6-R12 HydrophobicContact CG2-CG 4.15Å; I6-R12 PolarHBondContact O-NE 3.1Å; G9-R12 WeakPolarHBondContact O-CB 3.19Å; G9-R12 PolarHBondContact O-N 2.89Å; P10-R12 VanDerWaalsContact C-N 3.28Å; P10-R12 PolarHBondContact O-N 3.5Å; R12-T14 VanDerWaalsContact C-N 3.32Å; R12-T14 PolarHBondContact O-N 2.98Å; R12-K15 PolarHBondContact O-N 3.11Å; R12-L16 HydrophobicContact CG-CD1 3.99Å; R12-L16 HydrophobicContact CG-CG 4.47Å; R12-L16 WeakPolarHBondContact O-CG 3.49Å; R12-L16 PolarHBondContact O-N 2.95Å
13A78.2Confident74.7Confident78 Ų7877.9 Ų77.965%0.64544%0.438SS*.Hα-helixtrans-60.5-40.4177.300000112.5Y11 W17Y11-A13 VanDerWaalsContact C-N 3.28Å; Y11-A13 PolarHBondContact O-N 3.33Å; A13-W17 VanDerWaalsContact O-CB 3.29Å; A13-W17 WeakPolarHBondContact O-CB 3.39Å; A13-W17 PolarHBondContact O-N 3.07Å
14T81.7Confident76.7Confident75 Ų7576.1 Ų76.146%0.4642%0.419SS..Hα-helixtrans-68.5-37.5177-46.30000111.9Y11 R12 W17 N18Y11-T14 WeakPolarHBondContact O-CB 3.5Å; Y11-T14 PolarHBondContact O-N 3.4Å; R12-T14 VanDerWaalsContact C-N 3.32Å; R12-T14 PolarHBondContact O-N 2.98Å; T14-W17 PolarHBondContact O-N 3.2Å; T14-N18 VanDerWaalsContact O-CG 3.31Å; T14-N18 PolarHBondContact O-N 3.41Å; T14-N18 PolarHBondContact O-ND2 3.26Å
15K80.8Confident78.1Confident126 Ų12671.2 Ų71.255%0.54839%0.393SS..Hα-helixtrans-66-46.3175.3-69.4-176.5178.9179.50111.7I6 Y11 R12 W17 N18 E19I6-K15 HydrophobicContact CD1-CB 4.13Å; I6-K15 HydrophobicContact CG2-CB 4.14Å; I6-K15 HydrophobicContact CG2-CD 4.35Å; Y11-K15 PolarHBondContact O-N 3.25Å; R12-K15 PolarHBondContact O-N 3.11Å; K15-W17 VanDerWaalsContact C-N 3.34Å; K15-W17 PolarHBondContact O-N 3.43Å; K15-N18 PolarHBondContact O-N 3.07Å; K15-E19 WeakPolarHBondContact O-CB 3.36Å; K15-E19 PolarHBondContact O-N 3.04Å
16L84.3Confident79Confident19 Ų1969.7 Ų69.710%0.09940%0.398CS..Hα-helixtrans-59.3-45.1174.6-74167.7000111.2I6 R12 N18 E19 T20 N62 F63I6-L16 HydrophobicContact CB-CD2 4.33Å; I6-L16 HydrophobicContact CD1-CD2 3.98Å; I6-L16 HydrophobicContact CD1-CG 4.34Å; I6-L16 HydrophobicContact CG1-CD2 4.49Å; R12-L16 HydrophobicContact CG-CD1 3.99Å; R12-L16 HydrophobicContact CG-CG 4.47Å; R12-L16 WeakPolarHBondContact O-CG 3.49Å; R12-L16 PolarHBondContact O-N 2.95Å; L16-N18 PolarHBondContact O-N 3.33Å; L16-E19 PolarHBondContact O-N 3.26Å; L16-T20 WeakPolarHBondContact O-CB 3.37Å; L16-T20 PolarHBondContact O-N 2.79Å; L16-T20 PolarHBondContact O-OG1 3.14Å; L16-N62 HydrophobicContact CD2-CB 3.58Å; L16-F63 HydrophobicContact CB-CZ 4.13Å; L16-F63 HydrophobicContact CD2-CE2 4.14Å; L16-F63 HydrophobicContact CD2-CZ 4.13Å
17W86.1Confident79.6Confident73 Ų7370 Ų7028%0.27741%0.409SS..Hα-helixtrans-56.4-49.6175.7174.6-90.5000112.7A13 T14 K15 T20 I21 L75 K78 F79 A82A13-W17 VanDerWaalsContact O-CB 3.29Å; A13-W17 WeakPolarHBondContact O-CB 3.39Å; A13-W17 PolarHBondContact O-N 3.07Å; T14-W17 PolarHBondContact O-N 3.2Å; K15-W17 VanDerWaalsContact C-N 3.34Å; K15-W17 PolarHBondContact O-N 3.43Å; W17-T20 PolarHBondContact O-N 2.82Å; W17-I21 HydrophobicContact CD2-CD1 4.35Å; W17-I21 HydrophobicContact CG-CD1 4.35Å; W17-I21 HydrophobicContact CZ2-CD1 4.12Å; W17-I21 WeakPolarHBondContact O-CG1 3.13Å; W17-I21 PolarHBondContact O-N 3.22Å; W17-L75 HydrophobicContact CE3-CD1 3.92Å; W17-L75 HydrophobicContact CZ3-CD1 3.53Å; W17-K78 HydrophobicContact CH2-CB 3.62Å; W17-K78 HydrophobicContact CZ3-CB 3.85Å; W17-K78 HydrophobicContact CZ3-CD 4.34Å; W17-F79 HydrophobicContact CD2-CE1 4.18Å; W17-F79 HydrophobicContact CE3-CD1 4.5Å; W17-F79 AromaticContact CE3-CE1 3.91Å; W17-F79 HydrophobicContact CE3-CE1 3.91Å; W17-F79 AromaticContact CH2-CD1 3.39Å; W17-F79 HydrophobicContact CH2-CD1 3.39Å; W17-F79 AromaticContact CH2-CE1 3.64Å; W17-F79 HydrophobicContact CH2-CE1 3.64Å; W17-F79 AromaticContact CZ2-CD1 3.75Å; W17-F79 HydrophobicContact CZ2-CD1 3.75Å; W17-F79 AromaticContact CZ2-CE1 3.9Å; W17-F79 HydrophobicContact CZ2-CE1 3.9Å; W17-F79 AromaticContact CZ3-CD1 3.82Å; W17-F79 HydrophobicContact CZ3-CD1 3.82Å; W17-F79 AromaticContact CZ3-CE1 3.65Å; W17-F79 HydrophobicContact CZ3-CE1 3.65Å; W17-A82 HydrophobicContact CZ2-CB 4Å
18N85.1Confident80.8Confident60 Ų6068.1 Ų68.132%0.32139%0.386SS..Hα-helixtrans-67.1-38-179.8-71.7-23.8000112.6T14 K15 L16 I21 K22T14-N18 VanDerWaalsContact O-CG 3.31Å; T14-N18 PolarHBondContact O-N 3.41Å; T14-N18 PolarHBondContact O-ND2 3.26Å; K15-N18 PolarHBondContact O-N 3.07Å; L16-N18 PolarHBondContact O-N 3.33Å; N18-I21 PolarHBondContact O-N 3.39Å; N18-K22 WeakPolarHBondContact O-CB 3.39Å; N18-K22 PolarHBondContact O-N 2.93Å
19E84Confident81.7Confident49 Ų4966 Ų6623%0.22936%0.364CS..Hα-helixtrans-64.4-47.1175.6-171.8-175-158.900111I6 K15 L16 I21 K22 L23I6-E19 HydrophobicContact CD1-CB 4.31Å; I6-E19 WeakPolarHBondContact CD1-OE2 3.34Å; K15-E19 WeakPolarHBondContact O-CB 3.36Å; K15-E19 PolarHBondContact O-N 3.04Å; L16-E19 PolarHBondContact O-N 3.26Å; E19-I21 VanDerWaalsContact C-N 3.32Å; E19-I21 PolarHBondContact O-N 3.17Å; E19-K22 WeakPolarHBondContact O-CB 3.45Å; E19-K22 PolarHBondContact O-N 3.37Å; E19-K22 VanDerWaalsContact O-N 3.1Å; E19-L23 HydrophobicContact CG-CD1 4.06Å; E19-L23 HydrophobicContact CG-CG 4.44Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 2.88Å
20T86.3Confident82.3Confident1 Ų167.9 Ų67.91%0.00636%0.364CS..Hα-helixtrans-60.7-40.6177.1-55.40000111.5L16 W17 K22 F24 L53 L56 L57 L75 F79L16-T20 WeakPolarHBondContact O-CB 3.37Å; L16-T20 PolarHBondContact O-N 2.79Å; L16-T20 PolarHBondContact O-OG1 3.14Å; W17-T20 PolarHBondContact O-N 2.82Å; T20-K22 PolarHBondContact O-N 2.76Å; T20-F24 WeakPolarHBondContact O-CB 3.44Å; T20-F24 PolarHBondContact O-N 3.38Å; T20-L53 HydrophobicContact CG2-CD1 3.76Å; T20-L56 HydrophobicContact CG2-CD2 4.48Å; T20-L57 HydrophobicContact CG2-CD2 4.1Å; T20-L75 HydrophobicContact CG2-CD2 4.16Å; T20-F79 HydrophobicContact CG2-CE2 4.44Å; T20-F79 HydrophobicContact CG2-CZ 3.93Å
21I86.4Confident83.3Confident6 Ų669.6 Ų69.63%0.03136%0.357CS..Hα-helixtrans-61.5-44.3174-71172.2000111.3W17 N18 E19 F24 R25 F79 V84W17-I21 HydrophobicContact CD2-CD1 4.35Å; W17-I21 HydrophobicContact CG-CD1 4.35Å; W17-I21 HydrophobicContact CZ2-CD1 4.12Å; W17-I21 WeakPolarHBondContact O-CG1 3.13Å; W17-I21 PolarHBondContact O-N 3.22Å; N18-I21 PolarHBondContact O-N 3.39Å; E19-I21 VanDerWaalsContact C-N 3.32Å; E19-I21 PolarHBondContact O-N 3.17Å; I21-F24 PolarHBondContact O-N 2.88Å; I21-R25 HydrophobicContact CG2-CG 4.37Å; I21-R25 WeakPolarHBondContact O-CB 3.38Å; I21-R25 WeakPolarHBondContact O-CG 3.4Å; I21-R25 PolarHBondContact O-N 2.87Å; I21-F79 HydrophobicContact CD1-CE1 4.24Å; I21-F79 HydrophobicContact CG1-CD1 4.35Å; I21-F79 HydrophobicContact CG1-CE1 3.7Å; I21-F79 HydrophobicContact CG1-CE2 4.12Å; I21-F79 HydrophobicContact CG1-CZ 3.56Å; I21-V84 HydrophobicContact CD1-CG1 4.47Å; I21-V84 HydrophobicContact CD1-CG2 3.66Å; I21-V84 HydrophobicContact CG1-CG1 4.15Å; I21-V84 HydrophobicContact CG1-CG2 4.2Å; I21-V84 HydrophobicContact CG2-CG1 3.95Å
22K84.6Confident83.5Confident160 Ų16069.6 Ų69.670%0.69636%0.356SS*.Hα-helixtrans-63-46.7-179.4-175.8-177.3177.2-1740111.4N18 E19 T20 G26N18-K22 WeakPolarHBondContact O-CB 3.39Å; N18-K22 PolarHBondContact O-N 2.93Å; E19-K22 WeakPolarHBondContact O-CB 3.45Å; E19-K22 PolarHBondContact O-N 3.37Å; E19-K22 VanDerWaalsContact O-N 3.1Å; T20-K22 PolarHBondContact O-N 2.76Å; K22-G26 PolarHBondContact O-N 2.69Å
23L84.1Confident83.6Confident64 Ų6466.3 Ų66.334%0.33535%0.345SS..Hα-helixtrans-67.1-43.1178.5-65.5172.6000111.1E19 G26 G27 L56E19-L23 HydrophobicContact CG-CD1 4.06Å; E19-L23 HydrophobicContact CG-CG 4.44Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 2.88Å; L23-G26 PolarHBondContact O-N 3.23Å; L23-G27 PolarHBondContact O-N 3.5Å; L23-L56 HydrophobicContact CB-CD1 3.9Å; L23-L56 HydrophobicContact CB-CD2 4.21Å; L23-L56 HydrophobicContact CD1-CD2 4.34Å
24F88Confident83.5Confident0 Ų071.3 Ų71.30%035%0.347CS..Hα-helixtrans-62.5-50.4178.5-176.7-108.3000112.2T20 I21 G26 M28 A49 Y52 L53 L76 F79 I85 F106T20-F24 WeakPolarHBondContact O-CB 3.44Å; T20-F24 PolarHBondContact O-N 3.38Å; I21-F24 PolarHBondContact O-N 2.88Å; F24-G26 VanDerWaalsContact C-N 3.31Å; F24-G26 PolarHBondContact O-N 3.03Å; F24-M28 HydrophobicContact CE2-CB 4.4Å; F24-M28 HydrophobicContact CE2-CG 4.32Å; F24-M28 HydrophobicContact CE2-SD 3.85Å; F24-M28 HydrophobicContact CZ-CG 4.31Å; F24-M28 HydrophobicContact CZ-SD 4.19Å; F24-M28 WeakPolarHBondContact O-CB 3.47Å; F24-M28 PolarHBondContact O-N 3.39Å; F24-A49 HydrophobicContact CE2-CB 4.49Å; F24-A49 HydrophobicContact CZ-CB 4.07Å; F24-Y52 AromaticContact CD2-CD1 3.79Å; F24-Y52 HydrophobicContact CD2-CD1 3.79Å; F24-Y52 HydrophobicContact CD2-CE1 4.06Å; F24-Y52 AromaticContact CE2-CD1 3.93Å; F24-Y52 HydrophobicContact CE2-CD1 3.93Å; F24-L53 HydrophobicContact CB-CD1 4.29Å; F24-L53 HydrophobicContact CD2-CB 4Å; F24-L53 HydrophobicContact CD2-CD1 3.78Å; F24-L53 HydrophobicContact CD2-CG 4.35Å; F24-L53 HydrophobicContact CE2-CB 3.95Å; F24-L53 HydrophobicContact CG-CD1 4.27Å; F24-L76 HydrophobicContact CE1-CD2 4.23Å; F24-L76 HydrophobicContact CE2-CD2 4.29Å; F24-L76 HydrophobicContact CZ-CD2 3.82Å; F24-F79 HydrophobicContact CB-CE2 4.36Å; F24-F79 HydrophobicContact CD1-CD2 4.14Å; F24-F79 HydrophobicContact CD1-CE2 4.12Å; F24-F79 HydrophobicContact CE1-CD2 4.44Å; F24-F79 HydrophobicContact CG-CE2 4.29Å; F24-I85 HydrophobicContact CE1-CD1 3.54Å; F24-I85 HydrophobicContact CE1-CG1 4.03Å; F24-I85 HydrophobicContact CZ-CD1 4.03Å; F24-F106 AromaticContact CD1-CE1 3.81Å; F24-F106 HydrophobicContact CD1-CE1 3.81Å; F24-F106 AromaticContact CD1-CZ 3.91Å; F24-F106 HydrophobicContact CD1-CZ 3.91Å; F24-F106 AromaticContact CE1-CE1 3.52Å; F24-F106 HydrophobicContact CE1-CE1 3.52Å; F24-F106 AromaticContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CZ-CZ 4.29Å
25R83.3Confident83.2Confident66 Ų6669.2 Ų69.225%0.24934%0.337CS..Hα-helixtrans-67.6-30.8177.3-68.9-172.175.4120.9-9.7113.2I21 V84 F106 P107I21-R25 HydrophobicContact CG2-CG 4.37Å; I21-R25 WeakPolarHBondContact O-CB 3.38Å; I21-R25 WeakPolarHBondContact O-CG 3.4Å; I21-R25 PolarHBondContact O-N 2.87Å; R25-V84 PolarHBondContact NH1-O 3.28Å; R25-F106 HydrophobicContact CG-CD1 3.92Å; R25-F106 HydrophobicContact CG-CE1 3.72Å; R25-F106 HydrophobicContact CG-CZ 4.23Å; R25-P107 PolarHBondContact NH2-O 2.96Å
26G81.1Confident82.8Confident71 Ų7169.1 Ų69.173%0.73234%0.343SS*.Hα-helixtrans-80.3-23.2-177.500000114.4K22 L23 F24K22-G26 PolarHBondContact O-N 2.69Å; L23-G26 PolarHBondContact O-N 3.23Å; F24-G26 VanDerWaalsContact C-N 3.31Å; F24-G26 PolarHBondContact O-N 3.03Å
27G81.8Confident82.1Confident36 Ų3677.1 Ų77.137%0.37138%0.377SS..Hα-helixtrans-125.9-10-173.700000116.3L23 Y52L23-G27 PolarHBondContact O-N 3.5Å; G27-Y52 WeakPolarHBondContact CA-OH 3.35Å; G27-Y52 WeakPolarHBondContact O-CE2 3.45Å; G27-Y52 VanDerWaalsContact O-CZ 3.24Å; G27-Y52 PolarHBondContact O-OH 2.88Å
28M87.1Confident81.6Confident11 Ų1181.8 Ų81.85%0.05440%0.395CS..SBendtrans-61.5124176.6179.868.8-167.300110.4F24 L30 F44 E48 A49 Y52 F106F24-M28 HydrophobicContact CE2-CB 4.4Å; F24-M28 HydrophobicContact CE2-CG 4.32Å; F24-M28 HydrophobicContact CE2-SD 3.85Å; F24-M28 HydrophobicContact CZ-CG 4.31Å; F24-M28 HydrophobicContact CZ-SD 4.19Å; F24-M28 WeakPolarHBondContact O-CB 3.47Å; F24-M28 PolarHBondContact O-N 3.39Å; M28-L30 PolarHBondContact O-N 2.86Å; M28-F44 HydrophobicContact CE-CB 3.51Å; M28-F44 HydrophobicContact CE-CD1 4.42Å; M28-F44 HydrophobicContact CE-CD2 3.9Å; M28-F44 HydrophobicContact CE-CG 3.71Å; M28-F44 HydrophobicContact CG-CD1 4.28Å; M28-F44 HydrophobicContact CG-CG 4.45Å; M28-E48 HydrophobicContact CE-CB 3.98Å; M28-A49 HydrophobicContact CE-CB 4.06Å; M28-Y52 HydrophobicContact CB-CD1 4.07Å; M28-Y52 HydrophobicContact CB-CE1 4.08Å; M28-Y52 HydrophobicContact CG-CD1 4.45Å; M28-Y52 VanDerWaalsContact SD-CB 3.51Å; M28-Y52 HydrophobicContact SD-CD1 3.49Å; M28-Y52 WeakPolarHBondContact SD-CD1 3.44Å; M28-Y52 HydrophobicContact SD-CD2 4.48Å; M28-Y52 HydrophobicContact SD-CE1 4.4Å; M28-Y52 HydrophobicContact SD-CG 3.56Å; M28-Y52 VanDerWaalsContact SD-CG 3.56Å; M28-F106 HydrophobicContact CB-CE2 3.99Å; M28-F106 HydrophobicContact CB-CZ 3.89Å; M28-F106 HydrophobicContact CG-CE2 4.16Å; M28-F106 HydrophobicContact CG-CZ 4.08Å
29P81.9Confident81.2Confident60 Ų6082.2 Ų82.239%0.3940%0.401SS..PPolyproline II helixtrans-67.9123.2178.126.9-33.5000110.3
30L84.9Confident81Confident80 Ų8082.3 Ų82.342%0.41940%0.4SS..PPolyproline II helixtrans-99.1126.2175.6-62.2-179.4000109.3M28 C42 F44 F106M28-L30 PolarHBondContact O-N 2.86Å; L30-C42 HydrophobicContact CD1-CB 4.23Å; L30-F44 HydrophobicContact CD2-CD1 3.54Å; L30-F44 HydrophobicContact CD2-CE1 4.11Å; L30-F106 HydrophobicContact CD1-CD2 4.2Å; L30-F106 HydrophobicContact CD2-CD2 3.81Å; L30-F106 HydrophobicContact CD2-CE2 3.75Å; L30-F106 HydrophobicContact CG-CE2 4.48Å
31R82.4Confident80.6Confident142 Ų14287.3 Ų87.354%0.53643%0.427SS..EExtended strand (participates in β ladder)trans-122169.6-177.4-70.3175.7176.5172.3-4.9110.9H33 C42 T43 E48R31-H33 WeakPolarHBondContact CB-NE2 3.47Å; R31-C42 PolarHBondContact O-N 3.29Å; R31-T43 PolarHBondContact N-O 2.81Å; R31-T43 PolarHBondContact O-N 3.12Å; R31-T43 VanDerWaalsContact O-O 3.07Å; R31-T43 PolarHBondContact O-OG1 2.84Å; R31-E48 IonicContact CZ-OE1 2.75Å; R31-E48 IonicContact NH1-OE1 3.14Å; R31-E48 PolarHBondContact NH1-OE1 3.42Å
32R80.8Confident80.4Confident182 Ų18291 Ų9169%0.68745%0.452SS*.EExtended strand (participates in β ladder)trans-95.3118.5172.7-175170.677.1174.4-2108.8C39 Y40 D41R32-C39 WeakPolarHBondContact CD-SG 3.39Å; R32-C39 WeakPolarHBondContact CG-SG 3.16Å; R32-Y40 WeakPolarHBondContact CA-O 3.46Å; R32-D41 WeakPolarHBondContact CD-OD1 3.27Å; R32-D41 WeakPolarHBondContact CG-OD1 3.43Å
33H81.9Confident80.5Confident33 Ų3383.5 Ų83.515%0.15342%0.419CS..EExtended strand (participates in β ladder)trans-112.8143-179.4-65.3-97.9000110.7R31 Y40 T43 E48 L103R31-H33 WeakPolarHBondContact CB-NE2 3.47Å; H33-Y40 PolarHBondContact N-O 2.81Å; H33-Y40 PolarHBondContact O-N 3.31Å; H33-T43 PolarHBondContact CD2-O 3.37Å; H33-T43 PolarHBondContact CD2-OG1 3.18Å; H33-T43 PolarHBondContact NE2-O 2.97Å; H33-E48 IonicContact CE1-OE2 3.8Å; H33-E48 PolarHBondContact CE1-OE2 3.28Å; H33-E48 IonicContact NE2-OE2 3.35Å; H33-E48 PolarHBondContact NE2-OE2 3.25Å; H33-L103 HydrophobicContact CB-CD1 3.81Å; H33-L103 HydrophobicContact CB-CD2 3.5Å; H33-L103 VanDerWaalsContact CB-CD2 3.5Å; H33-L103 HydrophobicContact CB-CG 4.33Å
34W77.6Confident80.8Confident184 Ų18480.4 Ų80.470%0.69740%0.404SS*.EExtended strand (participates in β ladder)trans-106.6118.3173.7-173.168.5000109.4F37 R38W34-F37 HydrophobicContact CH2-CD1 4.42Å; W34-F37 HydrophobicContact CZ2-CD1 4.07Å; W34-R38 WeakPolarHBondContact CA-O 3.36Å; W34-R38 VanDerWaalsContact CD1-O 3.27Å
35A75.6Confident80.8Confident30 Ų3081.2 Ų81.225%0.24841%0.408CS..EExtended strand (participates in β ladder)trans-150.5146.6179.700000110.4F37 R38 Y40 L103A35-F37 VanDerWaalsContact C-N 3.26Å; A35-F37 PolarHBondContact O-N 3.32Å; A35-R38 PolarHBondContact N-O 3.02Å; A35-R38 PolarHBondContact O-N 2.62Å; A35-Y40 HydrophobicContact CB-CD2 4.47Å; A35-Y40 HydrophobicContact CB-CE2 4.26Å; A35-Y40 WeakPolarHBondContact O-CE2 3.44Å; A35-L103 HydrophobicContact CB-CD1 3.59Å
36N72.4Confident81.1Confident125 Ų12578 Ų7867%0.66840%0.396SS*.THydrogen-bonded Turntrans51.542.9-179.6-58.7-33.7000113.3R38N36-R38 PolarHBondContact O-N 3.11Å; N36-R38 VanDerWaalsContact O-N 3.09Å
37F69.5Low81.4Confident187 Ų18776.5 Ų76.582%0.8237%0.374SS*.THydrogen-bonded Turntrans57.519.2-177.1-58.5-83000115W34 A35W34-F37 HydrophobicContact CH2-CD1 4.42Å; W34-F37 HydrophobicContact CZ2-CD1 4.07Å; A35-F37 VanDerWaalsContact C-N 3.26Å; A35-F37 PolarHBondContact O-N 3.32Å
38R74.1Confident81.8Confident171 Ų17176.7 Ų76.765%0.64537%0.365SS*.EExtended strand (participates in β ladder)trans-126.9149.8177.5-66.1-176.2-177.7-170.1-0.1110.3W34 A35 N36 Y40W34-R38 WeakPolarHBondContact CA-O 3.36Å; W34-R38 VanDerWaalsContact CD1-O 3.27Å; A35-R38 PolarHBondContact N-O 3.02Å; A35-R38 PolarHBondContact O-N 2.62Å; N36-R38 PolarHBondContact O-N 3.11Å; N36-R38 VanDerWaalsContact O-N 3.09Å; R38-Y40 HydrophobicContact CB-CE1 4.36Å; R38-Y40 HydrophobicContact CB-CE2 4.01Å
39C77.7Confident82.1Confident68 Ų6876.1 Ų76.146%0.45936%0.363SS..EExtended strand (participates in β ladder)trans-98.4128.9174.5-157.90000108.7R32R32-C39 WeakPolarHBondContact CD-SG 3.39Å; R32-C39 WeakPolarHBondContact CG-SG 3.16Å
40Y79.4Confident82.5Confident51 Ų5173.3 Ų73.320%0.234%0.344CS..EExtended strand (participates in β ladder)trans-116115.3178.9-59.1-74.6000109.6R32 H33 A35 R38 T43 V88 L103R32-Y40 WeakPolarHBondContact CA-O 3.46Å; H33-Y40 PolarHBondContact N-O 2.81Å; H33-Y40 PolarHBondContact O-N 3.31Å; A35-Y40 HydrophobicContact CB-CD2 4.47Å; A35-Y40 HydrophobicContact CB-CE2 4.26Å; A35-Y40 WeakPolarHBondContact O-CE2 3.44Å; R38-Y40 HydrophobicContact CB-CE1 4.36Å; R38-Y40 HydrophobicContact CB-CE2 4.01Å; Y40-T43 PolarHBondContact O-OG1 2.95Å; Y40-V88 HydrophobicContact CD1-CG1 3.23Å; Y40-V88 HydrophobicContact CD2-CG1 4.15Å; Y40-V88 HydrophobicContact CE1-CG1 3.11Å; Y40-V88 HydrophobicContact CE2-CG1 4.05Å; Y40-V88 HydrophobicContact CG-CG1 3.76Å; Y40-V88 HydrophobicContact CG-CG2 4.48Å; Y40-L103 HydrophobicContact CD2-CD1 3.69Å; Y40-L103 HydrophobicContact CE2-CD1 4.32Å; Y40-L103 HydrophobicContact CG-CD1 4.45Å
41D77.3Confident82.8Confident107 Ų10773.1 Ų73.157%0.57234%0.344SS*.EExtended strand (participates in β ladder)trans-84.9151.7175.9-65.6-43.3000111R32 T43R32-D41 WeakPolarHBondContact CD-OD1 3.27Å; R32-D41 WeakPolarHBondContact CG-OD1 3.43Å; D41-T43 VanDerWaalsContact C-N 3.35Å; D41-T43 PolarHBondContact O-N 3.07Å
42C82.8Confident83.2Confident83 Ų8369.2 Ų69.256%0.56133%0.329SS*.EExtended strand (participates in β ladder)trans57.741.8178-58.30000113.9L30 R31L30-C42 HydrophobicContact CD1-CB 4.23Å; R31-C42 PolarHBondContact O-N 3.29Å
43T86.5Confident83.6Confident2 Ų260.5 Ų60.51%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-117.8166.3-179.156.60000111.6R31 H33 Y40 D41 V88 Y104 R105R31-T43 PolarHBondContact N-O 2.81Å; R31-T43 PolarHBondContact O-N 3.12Å; R31-T43 VanDerWaalsContact O-O 3.07Å; R31-T43 PolarHBondContact O-OG1 2.84Å; H33-T43 PolarHBondContact CD2-O 3.37Å; H33-T43 PolarHBondContact CD2-OG1 3.18Å; H33-T43 PolarHBondContact NE2-O 2.97Å; Y40-T43 PolarHBondContact O-OG1 2.95Å; D41-T43 VanDerWaalsContact C-N 3.35Å; D41-T43 PolarHBondContact O-N 3.07Å; T43-V88 HydrophobicContact CG2-CG2 3.91Å; T43-Y104 WeakPolarHBondContact CA-O 3.42Å; T43-Y104 WeakPolarHBondContact CB-O 3.2Å; T43-R105 HydrophobicContact CG2-CB 4.17Å
44F89.9Confident84Confident0 Ų060.4 Ų60.40%030%0.296CS..EExtended strand (participates in β ladder)trans-145.4154.5174.753.7-94.2000109.9M28 L30 A49 I85 Y104 F106M28-F44 HydrophobicContact CE-CB 3.51Å; M28-F44 HydrophobicContact CE-CD1 4.42Å; M28-F44 HydrophobicContact CE-CD2 3.9Å; M28-F44 HydrophobicContact CE-CG 3.71Å; M28-F44 HydrophobicContact CG-CD1 4.28Å; M28-F44 HydrophobicContact CG-CG 4.45Å; L30-F44 HydrophobicContact CD2-CD1 3.54Å; L30-F44 HydrophobicContact CD2-CE1 4.11Å; F44-A49 HydrophobicContact CD2-CB 3.65Å; F44-A49 HydrophobicContact CE2-CB 3.64Å; F44-I85 HydrophobicContact CE2-CD1 4.49Å; F44-I85 HydrophobicContact CE2-CG2 4.1Å; F44-I85 HydrophobicContact CZ-CD1 4.28Å; F44-I85 HydrophobicContact CZ-CG1 4.24Å; F44-I85 HydrophobicContact CZ-CG2 3.68Å; F44-Y104 HydrophobicContact CE2-CG 4.49Å; F44-Y104 PolarHBondContact N-O 3.05Å; F44-Y104 PolarHBondContact O-N 3.17Å; F44-F106 HydrophobicContact CD1-CE2 4.33Å; F44-F106 HydrophobicContact CE1-CD1 4.3Å; F44-F106 AromaticContact CE1-CD2 3.96Å; F44-F106 HydrophobicContact CE1-CD2 3.96Å; F44-F106 HydrophobicContact CE1-CE1 4.06Å; F44-F106 AromaticContact CE1-CE2 3.69Å; F44-F106 HydrophobicContact CE1-CE2 3.69Å; F44-F106 HydrophobicContact CE1-CG 4.26Å; F44-F106 AromaticContact CE1-CZ 3.74Å; F44-F106 HydrophobicContact CE1-CZ 3.74Å; F44-F106 HydrophobicContact CZ-CE1 4.12Å; F44-F106 HydrophobicContact CZ-CE2 4.49Å; F44-F106 HydrophobicContact CZ-CZ 4.1Å
45T89.8Confident84.5Confident16 Ų1658.4 Ų58.410%0.09829%0.294CS..EExtended strand (participates in β ladder)trans-80.7158.1173.970.50000112.1S47 E48 A49 H102 L103T45-S47 PolarHBondContact O-N 3.03Å; T45-S47 PolarHBondContact OG1-OG 3.38Å; T45-E48 PolarHBondContact N-OE2 3.05Å; T45-E48 PolarHBondContact O-N 2.79Å; T45-E48 WeakPolarHBondContact OG1-CB 3.35Å; T45-E48 VanDerWaalsContact OG1-CG 3.28Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 3.22Å; T45-E48 VanDerWaalsContact OG1-N 3.09Å; T45-A49 PolarHBondContact O-N 3.49Å; T45-H102 CarbonylContact C-O 3.59Å; T45-H102 VanDerWaalsContact CA-O 3.29Å; T45-H102 WeakPolarHBondContact CA-O 3.46Å; T45-L103 HydrophobicContact CG2-CD2 4.01Å
46G88.8Confident85.1Confident0 Ų057.9 Ų57.90%029%0.288CS..Hα-helixtrans-53.4-43172.200000112.2A49 V50 N100 H102G46-A49 PolarHBondContact O-N 2.92Å; G46-V50 VanDerWaalsContact O-CG2 3.32Å; G46-V50 WeakPolarHBondContact O-CG2 3.45Å; G46-V50 PolarHBondContact O-N 3.5Å; G46-V50 VanDerWaalsContact O-N 3.08Å; G46-N100 WeakPolarHBondContact CA-O 3.44Å; G46-N100 PolarHBondContact N-O 2.62Å; G46-N100 VanDerWaalsContact N-O 3.15Å; G46-H102 PolarHBondContact N-O 3.44Å
47S88.2Confident85.8Confident38 Ų3852.2 Ų52.227%0.26626%0.257SS..Hα-helixtrans-65.1-43.817763.80000113.9T45 A49 V50 D51 D99 N100T45-S47 PolarHBondContact O-N 3.03Å; T45-S47 PolarHBondContact OG1-OG 3.38Å; S47-A49 VanDerWaalsContact C-N 3.29Å; S47-A49 PolarHBondContact O-N 2.84Å; S47-V50 PolarHBondContact O-N 3.4Å; S47-D51 PolarHBondContact O-N 2.93Å; S47-D99 VanDerWaalsContact CA-OD1 3.24Å; S47-D99 WeakPolarHBondContact CA-OD1 3.26Å; S47-D99 WeakPolarHBondContact CB-OD1 3.21Å; S47-N100 PolarHBondContact N-O 3.26Å
48E90Very high86.5Confident40 Ų4049.3 Ų49.319%0.18724%0.241CC..Hα-helixtrans-62.1-39176.7-75.2174.9145.700111.1M28 R31 H33 T45 D51 Y52M28-E48 HydrophobicContact CE-CB 3.98Å; R31-E48 IonicContact CZ-OE1 2.75Å; R31-E48 IonicContact NH1-OE1 3.14Å; R31-E48 PolarHBondContact NH1-OE1 3.42Å; H33-E48 IonicContact CE1-OE2 3.8Å; H33-E48 PolarHBondContact CE1-OE2 3.28Å; H33-E48 IonicContact NE2-OE2 3.35Å; H33-E48 PolarHBondContact NE2-OE2 3.25Å; T45-E48 PolarHBondContact N-OE2 3.05Å; T45-E48 PolarHBondContact O-N 2.79Å; T45-E48 WeakPolarHBondContact OG1-CB 3.35Å; T45-E48 VanDerWaalsContact OG1-CG 3.28Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 3.22Å; T45-E48 VanDerWaalsContact OG1-N 3.09Å; E48-D51 PolarHBondContact O-N 3.38Å; E48-Y52 VanDerWaalsContact O-CB 3.31Å; E48-Y52 WeakPolarHBondContact O-CB 3.37Å; E48-Y52 PolarHBondContact O-N 2.9Å
49A91.7Very high86.9Confident0 Ų045.1 Ų45.10%024%0.238CC..Hα-helixtrans-66-39.4176.300000112.7F24 M28 F44 T45 G46 S47 L53 L76 F97F24-A49 HydrophobicContact CE2-CB 4.49Å; F24-A49 HydrophobicContact CZ-CB 4.07Å; M28-A49 HydrophobicContact CE-CB 4.06Å; F44-A49 HydrophobicContact CD2-CB 3.65Å; F44-A49 HydrophobicContact CE2-CB 3.64Å; T45-A49 PolarHBondContact O-N 3.49Å; G46-A49 PolarHBondContact O-N 2.92Å; S47-A49 VanDerWaalsContact C-N 3.29Å; S47-A49 PolarHBondContact O-N 2.84Å; A49-L53 VanDerWaalsContact O-CB 3.26Å; A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 PolarHBondContact O-N 2.88Å; A49-L76 HydrophobicContact CB-CD1 4.23Å; A49-L76 HydrophobicContact CB-CD2 4.41Å; A49-F97 HydrophobicContact CB-CZ 4.09Å
50V91.3Very high87Confident0 Ų042.9 Ų42.90%022%0.221CC..Hα-helixtrans-65.5-47.3175.4174.50000110.2G46 S47 Y52 H54 R69 L73 L76 F97 D99G46-V50 VanDerWaalsContact O-CG2 3.32Å; G46-V50 WeakPolarHBondContact O-CG2 3.45Å; G46-V50 PolarHBondContact O-N 3.5Å; G46-V50 VanDerWaalsContact O-N 3.08Å; S47-V50 PolarHBondContact O-N 3.4Å; V50-Y52 PolarHBondContact O-N 3.45Å; V50-H54 WeakPolarHBondContact O-CB 3.4Å; V50-H54 PolarHBondContact O-N 3.42Å; V50-R69 HydrophobicContact CG1-CG 3.48Å; V50-R69 VanDerWaalsContact CG1-CG 3.48Å; V50-L73 HydrophobicContact CG2-CD1 3.89Å; V50-L76 HydrophobicContact CB-CD1 4.23Å; V50-L76 HydrophobicContact CG2-CD1 3.58Å; V50-F97 HydrophobicContact CG2-CE1 3.88Å; V50-F97 HydrophobicContact CG2-CZ 4.48Å; V50-D99 HydrophobicContact CG2-CB 4.18Å
51D90.3Very high86.9Confident76 Ų7649.2 Ų49.241%0.40625%0.246SC..Hα-helixtrans-57.6-51.2179.2-69.1-26.7000111.3S47 E48 H54 E55 R69S47-D51 PolarHBondContact O-N 2.93Å; E48-D51 PolarHBondContact O-N 3.38Å; D51-H54 PolarHBondContact O-N 3.23Å; D51-E55 PolarHBondContact O-N 3.46Å; D51-R69 IonicContact OD1-CZ 3.83Å; D51-R69 IonicContact OD1-NH1 2.59Å; D51-R69 PolarHBondContact OD1-NH1 2.82Å; D51-R69 IonicContact OD1-NH2 3.05Å; D51-R69 PolarHBondContact OD1-NH2 2.72Å
52Y91.7Very high86.9Confident60 Ų6045.4 Ų45.424%0.23523%0.226CC..Hα-helixtrans-65.3-48.4-177.8179.5-96.7000112.5F24 G27 M28 E48 V50 H54 E55 L56F24-Y52 AromaticContact CD2-CD1 3.79Å; F24-Y52 HydrophobicContact CD2-CD1 3.79Å; F24-Y52 HydrophobicContact CD2-CE1 4.06Å; F24-Y52 AromaticContact CE2-CD1 3.93Å; F24-Y52 HydrophobicContact CE2-CD1 3.93Å; G27-Y52 WeakPolarHBondContact CA-OH 3.35Å; G27-Y52 WeakPolarHBondContact O-CE2 3.45Å; G27-Y52 VanDerWaalsContact O-CZ 3.24Å; G27-Y52 PolarHBondContact O-OH 2.88Å; M28-Y52 HydrophobicContact CB-CD1 4.07Å; M28-Y52 HydrophobicContact CB-CE1 4.08Å; M28-Y52 HydrophobicContact CG-CD1 4.45Å; M28-Y52 VanDerWaalsContact SD-CB 3.51Å; M28-Y52 HydrophobicContact SD-CD1 3.49Å; M28-Y52 WeakPolarHBondContact SD-CD1 3.44Å; M28-Y52 HydrophobicContact SD-CD2 4.48Å; M28-Y52 HydrophobicContact SD-CE1 4.4Å; M28-Y52 HydrophobicContact SD-CG 3.56Å; M28-Y52 VanDerWaalsContact SD-CG 3.56Å; E48-Y52 VanDerWaalsContact O-CB 3.31Å; E48-Y52 WeakPolarHBondContact O-CB 3.37Å; E48-Y52 PolarHBondContact O-N 2.9Å; V50-Y52 PolarHBondContact O-N 3.45Å; Y52-H54 VanDerWaalsContact C-N 3.27Å; Y52-H54 PolarHBondContact O-N 3.01Å; Y52-E55 PolarHBondContact O-N 3.44Å; Y52-L56 HydrophobicContact CD1-CD1 4.48Å; Y52-L56 HydrophobicContact CE1-CD1 3.62Å; Y52-L56 WeakPolarHBondContact O-CB 3.36Å; Y52-L56 PolarHBondContact O-N 3.29Å
53L90.1Very high86.6Confident0 Ų044.8 Ų44.80%021%0.213CC..Hα-helixtrans-67-33.2179.8-17464.5000111.3T20 F24 A49 L56 L57 T72 L75 L76 F79T20-L53 HydrophobicContact CG2-CD1 3.76Å; F24-L53 HydrophobicContact CB-CD1 4.29Å; F24-L53 HydrophobicContact CD2-CB 4Å; F24-L53 HydrophobicContact CD2-CD1 3.78Å; F24-L53 HydrophobicContact CD2-CG 4.35Å; F24-L53 HydrophobicContact CE2-CB 3.95Å; F24-L53 HydrophobicContact CG-CD1 4.27Å; A49-L53 VanDerWaalsContact O-CB 3.26Å; A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 PolarHBondContact O-N 2.88Å; L53-L56 HydrophobicContact CD1-CD2 4.29Å; L53-L56 PolarHBondContact O-N 3.1Å; L53-L57 HydrophobicContact CD1-CG 4.31Å; L53-L57 HydrophobicContact CG-CD1 4.09Å; L53-L57 HydrophobicContact CG-CG 4.25Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.43Å; L53-L57 PolarHBondContact O-N 2.64Å; L53-T72 HydrophobicContact CB-CG2 3.73Å; L53-T72 HydrophobicContact CD2-CG2 3.87Å; L53-T72 HydrophobicContact CG-CG2 3.79Å; L53-L75 HydrophobicContact CD2-CD2 4.14Å; L53-L75 HydrophobicContact CD2-CG 4.35Å; L53-L76 HydrophobicContact CD2-CD1 4.16Å; L53-L76 HydrophobicContact CD2-CD2 3.8Å; L53-L76 HydrophobicContact CD2-CG 3.62Å; L53-F79 HydrophobicContact CD2-CE2 4.4Å
54H90.4Very high85.8Confident31 Ų3145.7 Ų45.714%0.14422%0.223CC..Hα-helixtrans-64.4-45.7177.8-174.565.3000111.1V50 D51 Y52 L56 L57 R58 V67 R69 T72V50-H54 WeakPolarHBondContact O-CB 3.4Å; V50-H54 PolarHBondContact O-N 3.42Å; D51-H54 PolarHBondContact O-N 3.23Å; Y52-H54 VanDerWaalsContact C-N 3.27Å; Y52-H54 PolarHBondContact O-N 3.01Å; H54-L56 VanDerWaalsContact C-N 3.34Å; H54-L57 PolarHBondContact O-N 3.25Å; H54-R58 WeakPolarHBondContact O-CG 3.08Å; H54-R58 PolarHBondContact O-N 2.86Å; H54-V67 PolarHBondContact CE1-O 3.44Å; H54-R69 PolarHBondContact CE1-N 3.37Å; H54-R69 VanDerWaalsContact CE1-N 3.26Å; H54-T72 HydrophobicContact CB-CG2 3.97Å; H54-T72 PolarHBondContact ND1-OG1 2.99Å; H54-T72 VanDerWaalsContact ND1-OG1 3.1Å
55E88.1Confident85Confident141 Ų14150 Ų5066%0.65925%0.251SS*.Hα-helixtrans-63.7-39.9174.7-169.6175-175.600111.9D51 Y52 R58 S59D51-E55 PolarHBondContact O-N 3.46Å; Y52-E55 PolarHBondContact O-N 3.44Å; E55-R58 PolarHBondContact O-N 2.92Å; E55-S59 WeakPolarHBondContact O-CB 3.31Å; E55-S59 PolarHBondContact O-N 3.2Å; E55-S59 PolarHBondContact O-OG 3.34Å
56L87.1Confident84.4Confident20 Ų2057.6 Ų57.611%0.10529%0.286CS..Hα-helixtrans-63.8-41.2176.9-170.1152.8000112.6T20 L23 Y52 L53 H54 S59 N60T20-L56 HydrophobicContact CG2-CD2 4.48Å; L23-L56 HydrophobicContact CB-CD1 3.9Å; L23-L56 HydrophobicContact CB-CD2 4.21Å; L23-L56 HydrophobicContact CD1-CD2 4.34Å; Y52-L56 HydrophobicContact CD1-CD1 4.48Å; Y52-L56 HydrophobicContact CE1-CD1 3.62Å; Y52-L56 WeakPolarHBondContact O-CB 3.36Å; Y52-L56 PolarHBondContact O-N 3.29Å; L53-L56 HydrophobicContact CD1-CD2 4.29Å; L53-L56 PolarHBondContact O-N 3.1Å; H54-L56 VanDerWaalsContact C-N 3.34Å; L56-S59 WeakPolarHBondContact CA-OG 3.2Å; L56-S59 PolarHBondContact O-OG 3.43Å; L56-N60 WeakPolarHBondContact O-CB 3.33Å; L56-N60 PolarHBondContact O-N 2.96Å
57L86.8Confident84.3Confident5 Ų558.6 Ų58.63%0.02629%0.292CS..Hα-helixtrans-70.4-39.8177.7-69.3173.7000111.5T20 L53 H54 S59 N60 F63 V67 T72 L75T20-L57 HydrophobicContact CG2-CD2 4.1Å; L53-L57 HydrophobicContact CD1-CG 4.31Å; L53-L57 HydrophobicContact CG-CD1 4.09Å; L53-L57 HydrophobicContact CG-CG 4.25Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.43Å; L53-L57 PolarHBondContact O-N 2.64Å; H54-L57 PolarHBondContact O-N 3.25Å; L57-S59 VanDerWaalsContact C-N 3.35Å; L57-N60 PolarHBondContact O-N 3.06Å; L57-F63 HydrophobicContact CD2-CD1 4.21Å; L57-F63 HydrophobicContact CD2-CD2 3.74Å; L57-F63 HydrophobicContact CD2-CE1 4.29Å; L57-F63 HydrophobicContact CD2-CE2 3.83Å; L57-F63 HydrophobicContact CD2-CG 3.94Å; L57-F63 HydrophobicContact CD2-CZ 4.1Å; L57-V67 HydrophobicContact CB-CB 4.42Å; L57-V67 HydrophobicContact CB-CG1 4.13Å; L57-V67 HydrophobicContact CB-CG2 4.29Å; L57-V67 HydrophobicContact CD1-CG1 3.96Å; L57-T72 HydrophobicContact CD1-CG2 4.2Å; L57-L75 HydrophobicContact CD1-CD2 4.04Å; L57-L75 HydrophobicContact CD2-CD2 4.32Å
58R85.1Confident84.3Confident126 Ų12659.9 Ų59.948%0.47530%0.298SS..Hα-helixtrans-68.9-32.3178.6-71.6-176.974.5155.55.8113.4H54 E55 N60 P65 V67H54-R58 WeakPolarHBondContact O-CG 3.08Å; H54-R58 PolarHBondContact O-N 2.86Å; E55-R58 PolarHBondContact O-N 2.92Å; R58-N60 VanDerWaalsContact C-N 3.35Å; R58-P65 PolarHBondContact NE-O 3.06Å; R58-P65 PolarHBondContact NH2-O 2.94Å; R58-V67 HydrophobicContact CG-CB 4.49Å
59S81.4Confident84.2Confident84 Ų8462.4 Ų62.459%0.58731%0.306SS*.Hα-helixtrans-82.4-11.3176.6540000113.5E55 L56 L57E55-S59 WeakPolarHBondContact O-CB 3.31Å; E55-S59 PolarHBondContact O-N 3.2Å; E55-S59 PolarHBondContact O-OG 3.34Å; L56-S59 WeakPolarHBondContact CA-OG 3.2Å; L56-S59 PolarHBondContact O-OG 3.43Å; L57-S59 VanDerWaalsContact C-N 3.35Å
60N80.8Confident84.1Confident21 Ų2169.6 Ų69.611%0.11233%0.334CS..SBendtrans-86.1122.9178.6-170.3-31.3000111.2L56 L57 R58 N62 F63 G64L56-N60 WeakPolarHBondContact O-CB 3.33Å; L56-N60 PolarHBondContact O-N 2.96Å; L57-N60 PolarHBondContact O-N 3.06Å; R58-N60 VanDerWaalsContact C-N 3.35Å; N60-N62 PolarHBondContact O-N 3.12Å; N60-N62 WeakPolarHBondContact OD1-CB 3.3Å; N60-N62 PolarHBondContact OD1-N 3.09Å; N60-N62 PolarHBondContact OD1-ND2 3.3Å; N60-F63 HydrophobicContact CB-CD2 4.06Å; N60-F63 PolarHBondContact O-N 3.29Å; N60-F63 VanDerWaalsContact O-N 3.12Å; N60-G64 PolarHBondContact O-N 3.42Å
61Y76.8Confident83.9Confident183 Ų18374.6 Ų74.672%0.71836%0.357SS*.THydrogen-bonded Turntrans-55-22.1178.2-62.3-77.9000114.2
62N77.1Confident83.9Confident27 Ų2771 Ų7114%0.14434%0.338CS..THydrogen-bonded Turntrans-82.4-20.9-179.3-64.4-71.5000114.7I6 L16 N60I6-N62 PolarHBondContact N-OD1 3.42Å; I6-N62 VanDerWaalsContact N-OD1 3.15Å; L16-N62 HydrophobicContact CD2-CB 3.58Å; N60-N62 PolarHBondContact O-N 3.12Å; N60-N62 WeakPolarHBondContact OD1-CB 3.3Å; N60-N62 PolarHBondContact OD1-N 3.09Å; N60-N62 PolarHBondContact OD1-ND2 3.3Å
63F77.1Confident83.9Confident70 Ų7069 Ų6931%0.30733%0.332SS..THydrogen-bonded Turntrans-113.7-29.2-175.2-64.2-83.9000113L16 L57 N60 V67L16-F63 HydrophobicContact CB-CZ 4.13Å; L16-F63 HydrophobicContact CD2-CE2 4.14Å; L16-F63 HydrophobicContact CD2-CZ 4.13Å; L57-F63 HydrophobicContact CD2-CD1 4.21Å; L57-F63 HydrophobicContact CD2-CD2 3.74Å; L57-F63 HydrophobicContact CD2-CE1 4.29Å; L57-F63 HydrophobicContact CD2-CE2 3.83Å; L57-F63 HydrophobicContact CD2-CG 3.94Å; L57-F63 HydrophobicContact CD2-CZ 4.1Å; N60-F63 HydrophobicContact CB-CD2 4.06Å; N60-F63 PolarHBondContact O-N 3.29Å; N60-F63 VanDerWaalsContact O-N 3.12Å; F63-V67 HydrophobicContact CB-CG2 3.93Å
64G69.6Low83.8Confident21 Ų2172 Ų7222%0.21635%0.346CS..  trans76.9169.5174.600000114.9N60 E66N60-G64 PolarHBondContact O-N 3.42Å; G64-E66 PolarHBondContact O-N 2.94Å
65P74.1Confident83.8Confident91 Ų9172.2 Ų72.259%0.59135%0.347SS*.THydrogen-bonded Turntrans-74.9-4.2-17430.8-35.9000114.7R58R58-P65 PolarHBondContact NE-O 3.06Å; R58-P65 PolarHBondContact NH2-O 2.94Å
66E76.9Confident83.9Confident176 Ų17665.5 Ų65.582%0.82232%0.316SS*.THydrogen-bonded Turntrans-83.4-6.8-176.8-61.6-173.3174.100114G64 T68G64-E66 PolarHBondContact O-N 2.94Å; E66-T68 PolarHBondContact O-N 3.34Å
67V85Confident84Confident20 Ų2067.3 Ų67.312%0.12132%0.321CS..  trans-60.6126.6177.8179.10000109.4H54 L57 R58 F63 Q71H54-V67 PolarHBondContact CE1-O 3.44Å; L57-V67 HydrophobicContact CB-CB 4.42Å; L57-V67 HydrophobicContact CB-CG1 4.13Å; L57-V67 HydrophobicContact CB-CG2 4.29Å; L57-V67 HydrophobicContact CD1-CG1 3.96Å; R58-V67 HydrophobicContact CG-CB 4.49Å; F63-V67 HydrophobicContact CB-CG2 3.93Å; V67-Q71 HydrophobicContact CG1-CB 4.41Å
68T88.4Confident84.1Confident65 Ų6573.3 Ų73.340%0.39935%0.347SS..  trans-87.2155.8177.161.80000111.7E66 Y70 Q71 T72E66-T68 PolarHBondContact O-N 3.34Å; T68-Y70 PolarHBondContact O-N 3.36Å; T68-Q71 PolarHBondContact O-N 2.94Å; T68-Q71 WeakPolarHBondContact OG1-CB 3.44Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.31Å; T68-Q71 PolarHBondContact OG1-N 2.92Å; T68-Q71 PolarHBondContact OG1-OE1 3.22Å; T68-T72 PolarHBondContact O-N 2.88Å; T68-T72 VanDerWaalsContact O-N 3.07Å; T68-T72 PolarHBondContact O-OG1 3.22Å
69R89.5Confident84.2Confident94 Ų9467.3 Ų67.336%0.35533%0.325SS..Hα-helixtrans-57.5-38.5173.7-168.1-174.1-177.492.37.6111.3V50 D51 H54 T72 L73 D99V50-R69 HydrophobicContact CG1-CG 3.48Å; V50-R69 VanDerWaalsContact CG1-CG 3.48Å; D51-R69 IonicContact OD1-CZ 3.83Å; D51-R69 IonicContact OD1-NH1 2.59Å; D51-R69 PolarHBondContact OD1-NH1 2.82Å; D51-R69 IonicContact OD1-NH2 3.05Å; D51-R69 PolarHBondContact OD1-NH2 2.72Å; H54-R69 PolarHBondContact CE1-N 3.37Å; H54-R69 VanDerWaalsContact CE1-N 3.26Å; R69-T72 VanDerWaalsContact O-CB 3.31Å; R69-T72 WeakPolarHBondContact O-CB 3.3Å; R69-T72 PolarHBondContact O-N 3.34Å; R69-L73 PolarHBondContact O-N 3.46Å; R69-D99 IonicContact CZ-OD2 3.35Å; R69-D99 IonicContact NE-OD2 2.83Å; R69-D99 PolarHBondContact NE-OD2 3.32Å; R69-D99 IonicContact NH2-OD1 3.48Å; R69-D99 PolarHBondContact NH2-OD1 2.79Å; R69-D99 VanDerWaalsContact NH2-OD1 3.13Å; R69-D99 IonicContact NH2-OD2 2.75Å; R69-D99 PolarHBondContact NH2-OD2 3.13Å
70Y87.9Confident84.5Confident150 Ų15063.5 Ų63.559%0.58830%0.298SS*.Hα-helixtrans-63.4-43176.5-177.3-105.1000113T68 T72 L73 Q74T68-Y70 PolarHBondContact O-N 3.36Å; Y70-T72 VanDerWaalsContact C-N 3.28Å; Y70-T72 PolarHBondContact O-N 2.85Å; Y70-L73 WeakPolarHBondContact O-CB 3.48Å; Y70-L73 PolarHBondContact O-N 3.12Å; Y70-Q74 HydrophobicContact CD1-CG 4.41Å; Y70-Q74 HydrophobicContact CE1-CG 4.07Å; Y70-Q74 VanDerWaalsContact CZ-NE2 3.31Å; Y70-Q74 WeakPolarHBondContact O-CG 3.45Å; Y70-Q74 PolarHBondContact O-N 3.4Å; Y70-Q74 PolarHBondContact OH-NE2 3.2Å; Y70-Q74 VanDerWaalsContact OH-NE2 3.1Å
71Q88.1Confident84.8Confident106 Ų10668.1 Ų68.150%0.49532%0.317SS..Hα-helixtrans-64.3-34.6174.5-74.2161.7-32.500112.2V67 T68 Q74 L75V67-Q71 HydrophobicContact CG1-CB 4.41Å; T68-Q71 PolarHBondContact O-N 2.94Å; T68-Q71 WeakPolarHBondContact OG1-CB 3.44Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.31Å; T68-Q71 PolarHBondContact OG1-N 2.92Å; T68-Q71 PolarHBondContact OG1-OE1 3.22Å; Q71-Q74 PolarHBondContact O-N 3.34Å; Q71-L75 PolarHBondContact O-N 2.89Å
72T90.7Very high85.1Confident0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-63.8-43.9174.1-51.20000110.7L53 H54 L57 T68 R69 Y70 Q74 L75 L76L53-T72 HydrophobicContact CB-CG2 3.73Å; L53-T72 HydrophobicContact CD2-CG2 3.87Å; L53-T72 HydrophobicContact CG-CG2 3.79Å; H54-T72 HydrophobicContact CB-CG2 3.97Å; H54-T72 PolarHBondContact ND1-OG1 2.99Å; H54-T72 VanDerWaalsContact ND1-OG1 3.1Å; L57-T72 HydrophobicContact CD1-CG2 4.2Å; T68-T72 PolarHBondContact O-N 2.88Å; T68-T72 VanDerWaalsContact O-N 3.07Å; T68-T72 PolarHBondContact O-OG1 3.22Å; R69-T72 VanDerWaalsContact O-CB 3.31Å; R69-T72 WeakPolarHBondContact O-CB 3.3Å; R69-T72 PolarHBondContact O-N 3.34Å; Y70-T72 VanDerWaalsContact C-N 3.28Å; Y70-T72 PolarHBondContact O-N 2.85Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-Q74 PolarHBondContact O-N 2.83Å; T72-L75 WeakPolarHBondContact O-CB 3.26Å; T72-L75 PolarHBondContact O-N 2.84Å; T72-L75 VanDerWaalsContact O-N 3.15Å; T72-L76 HydrophobicContact CG2-CD1 4.48Å; T72-L76 PolarHBondContact O-N 3.4Å
73L90.6Very high85.5Confident19 Ų1962.9 Ų62.910%0.09931%0.306CS..Hα-helixtrans-60.7-41.9174.5-176.165.4000112V50 R69 Y70 L75 L76 R77 F97 D99V50-L73 HydrophobicContact CG2-CD1 3.89Å; R69-L73 PolarHBondContact O-N 3.46Å; Y70-L73 WeakPolarHBondContact O-CB 3.48Å; Y70-L73 PolarHBondContact O-N 3.12Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 2.63Å; L73-L76 PolarHBondContact O-N 3.17Å; L73-R77 WeakPolarHBondContact O-CG 3.46Å; L73-R77 PolarHBondContact O-N 2.67Å; L73-F97 HydrophobicContact CD1-CD1 3.54Å; L73-F97 HydrophobicContact CD1-CE1 3.68Å; L73-D99 HydrophobicContact CD1-CB 4.03Å; L73-D99 HydrophobicContact CD2-CB 4.38Å
74Q88.6Confident85.9Confident63 Ų6359.6 Ų59.629%0.29429%0.291SS..Hα-helixtrans-62.8-35175.3-68-62-28.800112.5Y70 Q71 T72 K78Y70-Q74 HydrophobicContact CD1-CG 4.41Å; Y70-Q74 HydrophobicContact CE1-CG 4.07Å; Y70-Q74 VanDerWaalsContact CZ-NE2 3.31Å; Y70-Q74 WeakPolarHBondContact O-CG 3.45Å; Y70-Q74 PolarHBondContact O-N 3.4Å; Y70-Q74 PolarHBondContact OH-NE2 3.2Å; Y70-Q74 VanDerWaalsContact OH-NE2 3.1Å; Q71-Q74 PolarHBondContact O-N 3.34Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-Q74 PolarHBondContact O-N 2.83Å; Q74-K78 PolarHBondContact O-N 3.12Å
75L90.4Very high86.7Confident34 Ų3458.6 Ų58.618%0.17828%0.281CS..Hα-helixtrans-69.1-42.6174.5-174.957.9000111.7W17 T20 L53 L57 Q71 T72 L73 R77 K78 F79W17-L75 HydrophobicContact CE3-CD1 3.92Å; W17-L75 HydrophobicContact CZ3-CD1 3.53Å; T20-L75 HydrophobicContact CG2-CD2 4.16Å; L53-L75 HydrophobicContact CD2-CD2 4.14Å; L53-L75 HydrophobicContact CD2-CG 4.35Å; L57-L75 HydrophobicContact CD1-CD2 4.04Å; L57-L75 HydrophobicContact CD2-CD2 4.32Å; Q71-L75 PolarHBondContact O-N 2.89Å; T72-L75 WeakPolarHBondContact O-CB 3.26Å; T72-L75 PolarHBondContact O-N 2.84Å; T72-L75 VanDerWaalsContact O-N 3.15Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 2.63Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 3.31Å; L75-K78 CarbonylContact O-C 3.52Å; L75-K78 WeakPolarHBondContact O-CA 3.1Å; L75-K78 WeakPolarHBondContact O-CB 3.13Å; L75-K78 PolarHBondContact O-N 3.49Å; L75-F79 HydrophobicContact CD1-CD1 4.3Å; L75-F79 HydrophobicContact CD1-CE1 3.83Å; L75-F79 HydrophobicContact CD1-CZ 4.4Å; L75-F79 HydrophobicContact CD2-CZ 4.42Å; L75-F79 HydrophobicContact CG-CD1 4.46Å; L75-F79 HydrophobicContact CG-CE1 4.04Å; L75-F79 HydrophobicContact CG-CZ 4.2Å; L75-F79 PolarHBondContact O-N 2.88Å
76L90Very high87.3Confident0 Ų055 Ų550%026%0.256CS..Hα-helixtrans-63.6-36.3175.2-76.3164.3000112.6F24 A49 V50 L53 T72 L73 K78 F79 F80 I85 F97F24-L76 HydrophobicContact CE1-CD2 4.23Å; F24-L76 HydrophobicContact CE2-CD2 4.29Å; F24-L76 HydrophobicContact CZ-CD2 3.82Å; A49-L76 HydrophobicContact CB-CD1 4.23Å; A49-L76 HydrophobicContact CB-CD2 4.41Å; V50-L76 HydrophobicContact CB-CD1 4.23Å; V50-L76 HydrophobicContact CG2-CD1 3.58Å; L53-L76 HydrophobicContact CD2-CD1 4.16Å; L53-L76 HydrophobicContact CD2-CD2 3.8Å; L53-L76 HydrophobicContact CD2-CG 3.62Å; T72-L76 HydrophobicContact CG2-CD1 4.48Å; T72-L76 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.17Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.47Å; L76-F79 HydrophobicContact CD2-CD2 4.21Å; L76-F79 WeakPolarHBondContact O-CB 3.46Å; L76-F79 PolarHBondContact O-N 3Å; L76-F79 VanDerWaalsContact O-N 3.1Å; L76-F80 PolarHBondContact O-N 3.08Å; L76-I85 HydrophobicContact CD2-CD1 3.6Å; L76-F97 HydrophobicContact CB-CD1 3.66Å; L76-F97 HydrophobicContact CB-CE1 3.63Å; L76-F97 HydrophobicContact CB-CG 4.2Å; L76-F97 HydrophobicContact CB-CZ 4.12Å; L76-F97 HydrophobicContact CD1-CE1 3.72Å; L76-F97 HydrophobicContact CD1-CZ 3.95Å; L76-F97 HydrophobicContact CG-CE1 4.22Å; L76-F97 HydrophobicContact CG-CZ 4.42Å
77R89.2Confident87.7Confident58 Ų5847.7 Ų47.722%0.21922%0.223CC..Hα-helixtrans-58.6-40.1170.2-74.4175.6176.9-173.7-0.1112.1L73 L75 F80 K81 F97L73-R77 WeakPolarHBondContact O-CG 3.46Å; L73-R77 PolarHBondContact O-N 2.67Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 3.31Å; R77-F80 PolarHBondContact O-N 2.85Å; R77-K81 WeakPolarHBondContact O-CG 3.15Å; R77-K81 PolarHBondContact O-N 2.94Å; R77-F97 HydrophobicContact CB-CB 4.49Å; R77-F97 HydrophobicContact CG-CB 3.84Å; R77-F97 WeakPolarHBondContact CG-O 3.44Å; R77-F97 PolarHBondContact NE-O 3.43Å
78K87.9Confident87.5Confident131 Ų13147.8 Ų47.857%0.5722%0.223SC*.Hα-helixtrans-69.4-36.6173.9-66.4-178.5177.3-178.50111.9W17 Q74 L75 L76 F80 K81 A82W17-K78 HydrophobicContact CH2-CB 3.62Å; W17-K78 HydrophobicContact CZ3-CB 3.85Å; W17-K78 HydrophobicContact CZ3-CD 4.34Å; Q74-K78 PolarHBondContact O-N 3.12Å; L75-K78 CarbonylContact O-C 3.52Å; L75-K78 WeakPolarHBondContact O-CA 3.1Å; L75-K78 WeakPolarHBondContact O-CB 3.13Å; L75-K78 PolarHBondContact O-N 3.49Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.47Å; K78-F80 VanDerWaalsContact C-N 3.34Å; K78-K81 PolarHBondContact O-N 2.93Å; K78-A82 VanDerWaalsContact O-CB 3.27Å; K78-A82 WeakPolarHBondContact O-CB 3.33Å; K78-A82 PolarHBondContact O-N 3.27Å
79F89.1Confident86.9Confident0 Ų051.7 Ų51.70%024%0.235CC..Hα-helixtrans-62.8-40.9174.4-78.210.5000111.8W17 T20 I21 F24 L53 L75 L76 A82 H83 V84 I85W17-F79 HydrophobicContact CD2-CE1 4.18Å; W17-F79 HydrophobicContact CE3-CD1 4.5Å; W17-F79 AromaticContact CE3-CE1 3.91Å; W17-F79 HydrophobicContact CE3-CE1 3.91Å; W17-F79 AromaticContact CH2-CD1 3.39Å; W17-F79 HydrophobicContact CH2-CD1 3.39Å; W17-F79 AromaticContact CH2-CE1 3.64Å; W17-F79 HydrophobicContact CH2-CE1 3.64Å; W17-F79 AromaticContact CZ2-CD1 3.75Å; W17-F79 HydrophobicContact CZ2-CD1 3.75Å; W17-F79 AromaticContact CZ2-CE1 3.9Å; W17-F79 HydrophobicContact CZ2-CE1 3.9Å; W17-F79 AromaticContact CZ3-CD1 3.82Å; W17-F79 HydrophobicContact CZ3-CD1 3.82Å; W17-F79 AromaticContact CZ3-CE1 3.65Å; W17-F79 HydrophobicContact CZ3-CE1 3.65Å; T20-F79 HydrophobicContact CG2-CE2 4.44Å; T20-F79 HydrophobicContact CG2-CZ 3.93Å; I21-F79 HydrophobicContact CD1-CE1 4.24Å; I21-F79 HydrophobicContact CG1-CD1 4.35Å; I21-F79 HydrophobicContact CG1-CE1 3.7Å; I21-F79 HydrophobicContact CG1-CE2 4.12Å; I21-F79 HydrophobicContact CG1-CZ 3.56Å; F24-F79 HydrophobicContact CB-CE2 4.36Å; F24-F79 HydrophobicContact CD1-CD2 4.14Å; F24-F79 HydrophobicContact CD1-CE2 4.12Å; F24-F79 HydrophobicContact CE1-CD2 4.44Å; F24-F79 HydrophobicContact CG-CE2 4.29Å; L53-F79 HydrophobicContact CD2-CE2 4.4Å; L75-F79 HydrophobicContact CD1-CD1 4.3Å; L75-F79 HydrophobicContact CD1-CE1 3.83Å; L75-F79 HydrophobicContact CD1-CZ 4.4Å; L75-F79 HydrophobicContact CD2-CZ 4.42Å; L75-F79 HydrophobicContact CG-CD1 4.46Å; L75-F79 HydrophobicContact CG-CE1 4.04Å; L75-F79 HydrophobicContact CG-CZ 4.2Å; L75-F79 PolarHBondContact O-N 2.88Å; L76-F79 HydrophobicContact CD2-CD2 4.21Å; L76-F79 WeakPolarHBondContact O-CB 3.46Å; L76-F79 PolarHBondContact O-N 3Å; L76-F79 VanDerWaalsContact O-N 3.1Å; F79-A82 PolarHBondContact O-N 3.03Å; F79-H83 PolarHBondContact O-N 2.88Å; F79-V84 HydrophobicContact CB-CB 3.92Å; F79-V84 HydrophobicContact CB-CG1 4.34Å; F79-V84 HydrophobicContact CB-CG2 4.41Å; F79-V84 HydrophobicContact CD2-CG1 4.15Å; F79-V84 HydrophobicContact CG-CB 4.22Å; F79-V84 HydrophobicContact CG-CG1 4.23Å; F79-V84 HydrophobicContact CG-CG2 4.46Å; F79-V84 WeakPolarHBondContact O-CB 3.26Å; F79-V84 PolarHBondContact O-N 3.39Å; F79-I85 HydrophobicContact CB-CD1 4.08Å; F79-I85 HydrophobicContact CB-CG1 4.42Å; F79-I85 HydrophobicContact CD2-CD1 4.43Å
80F87.6Confident86Confident5 Ų548.7 Ų48.72%0.02223%0.233CC..Hα-helixtrans-65.4-43.5175.8-168.5-108.3000112L76 R77 K78 A82 H83 I85 R91 E95 F97 Y104L76-F80 PolarHBondContact O-N 3.08Å; R77-F80 PolarHBondContact O-N 2.85Å; K78-F80 VanDerWaalsContact C-N 3.34Å; F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.21Å; F80-H83 PolarHBondContact O-N 3.06Å; F80-I85 WeakPolarHBondContact CD2-O 3.39Å; F80-R91 WeakPolarHBondContact CZ-O 3.4Å; F80-E95 VanDerWaalsContact CD1-O 3.29Å; F80-E95 WeakPolarHBondContact CD1-O 3.17Å; F80-E95 WeakPolarHBondContact CE1-O 3.2Å; F80-F97 HydrophobicContact CB-CB 4.05Å; F80-F97 HydrophobicContact CG-CB 4.33Å; F80-Y104 HydrophobicContact CD2-CD1 4.28Å; F80-Y104 HydrophobicContact CD2-CE1 4.17Å; F80-Y104 AromaticContact CE2-CD1 3.95Å; F80-Y104 HydrophobicContact CE2-CD1 3.95Å; F80-Y104 AromaticContact CE2-CE1 3.77Å; F80-Y104 HydrophobicContact CE2-CE1 3.77Å; F80-Y104 HydrophobicContact CZ-CE1 4.37Å
81K85.5Confident85.4Confident118 Ų11846.1 Ų46.151%0.51322%0.222SC..Hα-helixtrans-65.8-33.3175.4-72.3176.9-176.3174.40113R77 K78 H83 D96R77-K81 WeakPolarHBondContact O-CG 3.15Å; R77-K81 PolarHBondContact O-N 2.94Å; K78-K81 PolarHBondContact O-N 2.93Å; K81-H83 VanDerWaalsContact C-N 3.28Å; K81-H83 PolarHBondContact O-N 3.03Å; K81-D96 WeakPolarHBondContact CE-OD1 3.1Å; K81-D96 IonicContact NZ-OD1 2.88Å; K81-D96 PolarHBondContact NZ-OD1 3.13Å
82A83.4Confident84.8Confident46 Ų4644.8 Ų44.838%0.3822%0.216SC..THydrogen-bonded Turntrans-86.711178.300000114.1W17 K78 F79 F80 V84W17-A82 HydrophobicContact CZ2-CB 4Å; K78-A82 VanDerWaalsContact O-CB 3.27Å; K78-A82 WeakPolarHBondContact O-CB 3.33Å; K78-A82 PolarHBondContact O-N 3.27Å; F79-A82 PolarHBondContact O-N 3.03Å; F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.21Å; A82-V84 HydrophobicContact CB-CG2 4.26Å; A82-V84 PolarHBondContact O-N 2.73Å
83H85.8Confident83.5Confident53 Ų5346.4 Ų46.425%0.24523%0.233CC..THydrogen-bonded Turntrans5634.2-178.8-162.853.6000114.1F79 F80 K81 E86 H92F79-H83 PolarHBondContact O-N 2.88Å; F80-H83 PolarHBondContact O-N 3.06Å; K81-H83 VanDerWaalsContact C-N 3.28Å; K81-H83 PolarHBondContact O-N 3.03Å; H83-E86 IonicContact CE1-OE2 3.39Å; H83-E86 PolarHBondContact CE1-OE2 3.07Å; H83-H92 AromaticContact CE1-CE1 3.5Å; H83-H92 AromaticContact CE1-CG 3.85Å; H83-H92 AromaticContact CE1-ND1 3.34Å; H83-H92 PolarHBondContact CE1-ND1 3.12Å; H83-H92 VanDerWaalsContact CE1-ND1 3.34Å; H83-H92 AromaticContact CG-CD2 3.69Å; H83-H92 AromaticContact CG-CE1 3.85Å; H83-H92 AromaticContact CG-CG 3.9Å; H83-H92 AromaticContact CG-NE2 3.65Å; H83-H92 AromaticContact ND1-CD2 3.36Å; H83-H92 PolarHBondContact ND1-CD2 3.26Å; H83-H92 AromaticContact ND1-CE1 3.3Å; H83-H92 PolarHBondContact ND1-CE1 3.14Å; H83-H92 VanDerWaalsContact ND1-CE1 3.3Å; H83-H92 AromaticContact ND1-CG 3.09Å; H83-H92 AromaticContact ND1-ND1 3.07Å; H83-H92 PolarHBondContact ND1-ND1 3.03Å; H83-H92 AromaticContact ND1-NE2 3.48Å; H83-H92 PolarHBondContact ND1-NE2 2.77Å
84V84.8Confident82.1Confident2 Ų251.2 Ų51.21%0.01226%0.263CS..SBendtrans-80.5-29.8170.1-179.70000110.5I21 R25 F79 A82 P107 P111I21-V84 HydrophobicContact CD1-CG1 4.47Å; I21-V84 HydrophobicContact CD1-CG2 3.66Å; I21-V84 HydrophobicContact CG1-CG1 4.15Å; I21-V84 HydrophobicContact CG1-CG2 4.2Å; I21-V84 HydrophobicContact CG2-CG1 3.95Å; R25-V84 PolarHBondContact NH1-O 3.28Å; F79-V84 HydrophobicContact CB-CB 3.92Å; F79-V84 HydrophobicContact CB-CG1 4.34Å; F79-V84 HydrophobicContact CB-CG2 4.41Å; F79-V84 HydrophobicContact CD2-CG1 4.15Å; F79-V84 HydrophobicContact CG-CB 4.22Å; F79-V84 HydrophobicContact CG-CG1 4.23Å; F79-V84 HydrophobicContact CG-CG2 4.46Å; F79-V84 WeakPolarHBondContact O-CB 3.26Å; F79-V84 PolarHBondContact O-N 3.39Å; A82-V84 HydrophobicContact CB-CG2 4.26Å; A82-V84 PolarHBondContact O-N 2.73Å; V84-P107 WeakPolarHBondContact O-CD 3.45Å; V84-P111 HydrophobicContact CG2-CG 4.32Å
85I87.4Confident81.1Confident0 Ų052.7 Ų52.70%027%0.27CS..SBendtrans-132.4146.6178.7-55.6169.7000107.5F24 F44 L76 F79 F80 Y104 F106F24-I85 HydrophobicContact CE1-CD1 3.54Å; F24-I85 HydrophobicContact CE1-CG1 4.03Å; F24-I85 HydrophobicContact CZ-CD1 4.03Å; F44-I85 HydrophobicContact CE2-CD1 4.49Å; F44-I85 HydrophobicContact CE2-CG2 4.1Å; F44-I85 HydrophobicContact CZ-CD1 4.28Å; F44-I85 HydrophobicContact CZ-CG1 4.24Å; F44-I85 HydrophobicContact CZ-CG2 3.68Å; L76-I85 HydrophobicContact CD2-CD1 3.6Å; F79-I85 HydrophobicContact CB-CD1 4.08Å; F79-I85 HydrophobicContact CB-CG1 4.42Å; F79-I85 HydrophobicContact CD2-CD1 4.43Å; F80-I85 WeakPolarHBondContact CD2-O 3.39Å; I85-Y104 HydrophobicContact CG2-CD1 4.14Å; I85-Y104 HydrophobicContact CG2-CG 4.19Å; I85-F106 HydrophobicContact CG1-CD1 4.4Å; I85-F106 HydrophobicContact CG1-CE1 4.13Å
86E86.7Confident80.4Confident14 Ų1454.8 Ų54.87%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-131.1155.7173.962.1-179.4-161.200111.5H83 Y104 R105 P107H83-E86 IonicContact CE1-OE2 3.39Å; H83-E86 PolarHBondContact CE1-OE2 3.07Å; E86-Y104 CarbonylContact O-C 3.57Å; E86-Y104 WeakPolarHBondContact O-CA 3.37Å; E86-R105 HydrophobicContact CG-CG 3.64Å; E86-R105 PolarHBondContact N-O 3.48Å; E86-R105 PolarHBondContact O-N 2.96Å; E86-R105 IonicContact OE1-CZ 3.36Å; E86-R105 IonicContact OE1-NE 2.66Å; E86-R105 PolarHBondContact OE1-NE 3.2Å; E86-R105 IonicContact OE1-NH2 2.86Å; E86-R105 PolarHBondContact OE1-NH2 3.13Å; E86-P107 HydrophobicContact CB-CG 4.13Å; E86-P107 HydrophobicContact CG-CG 3.84Å
87D85.4Confident80.2Confident24 Ų2454.8 Ų54.813%0.12828%0.281CS..EExtended strand (participates in β ladder)trans-63154.3168.7179.3-1.3000108.9K89 G90 R91D87-K89 PolarHBondContact O-N 3.27Å; D87-K89 PolarHBondContact OD1-N 2.98Å; D87-G90 WeakPolarHBondContact O-CA 3.4Å; D87-G90 PolarHBondContact O-N 3.11Å; D87-R91 HydrophobicContact CB-CB 4.4Å; D87-R91 WeakPolarHBondContact CB-O 3.24Å; D87-R91 PolarHBondContact N-O 3.32Å; D87-R91 IonicContact OD2-CZ 2.61Å; D87-R91 IonicContact OD2-NE 3.9Å; D87-R91 PolarHBondContact OD2-NE 3.28Å; D87-R91 IonicContact OD2-NH2 2.7Å; D87-R91 PolarHBondContact OD2-NH2 2.97Å
88V79.9Confident79.9Confident21 Ų2156.7 Ų56.713%0.12729%0.292CS..THydrogen-bonded Turntrans-52.1-26172.5166.50000112.9Y40 T43 G90 L103Y40-V88 HydrophobicContact CD1-CG1 3.23Å; Y40-V88 HydrophobicContact CD2-CG1 4.15Å; Y40-V88 HydrophobicContact CE1-CG1 3.11Å; Y40-V88 HydrophobicContact CE2-CG1 4.05Å; Y40-V88 HydrophobicContact CG-CG1 3.76Å; Y40-V88 HydrophobicContact CG-CG2 4.48Å; T43-V88 HydrophobicContact CG2-CG2 3.91Å; V88-G90 VanDerWaalsContact C-N 3.33Å; V88-L103 HydrophobicContact CB-CB 4.43Å; V88-L103 HydrophobicContact CG2-CB 3.38Å; V88-L103 HydrophobicContact CG2-CD1 4.47Å; V88-L103 WeakPolarHBondContact CG2-O 3.11Å; V88-L103 PolarHBondContact N-O 3.31Å
89K75.7Confident79.9Confident148 Ų14853.2 Ų53.264%0.64328%0.28SS*.THydrogen-bonded Turntrans-83.42.6173.5-63.3-179.3-177.3173.90114.9D87 R91D87-K89 PolarHBondContact O-N 3.27Å; D87-K89 PolarHBondContact OD1-N 2.98Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 HydrophobicContact CB-CG 4.48Å
90G72Confident79.7Confident30 Ų3055 Ų5531%0.30929%0.29SS..SBendtrans77.711.3-17900000115D87 V88D87-G90 WeakPolarHBondContact O-CA 3.4Å; D87-G90 PolarHBondContact O-N 3.11Å; V88-G90 VanDerWaalsContact C-N 3.33Å
91R75.1Confident79.5Confident97 Ų9759.6 Ų59.637%0.36632%0.322SS..  trans-86.3139.9178-60-178.1-60.7149.415.4110F80 D87 K89 E95F80-R91 WeakPolarHBondContact CZ-O 3.4Å; D87-R91 HydrophobicContact CB-CB 4.4Å; D87-R91 WeakPolarHBondContact CB-O 3.24Å; D87-R91 PolarHBondContact N-O 3.32Å; D87-R91 IonicContact OD2-CZ 2.61Å; D87-R91 IonicContact OD2-NE 3.9Å; D87-R91 PolarHBondContact OD2-NE 3.28Å; D87-R91 IonicContact OD2-NH2 2.7Å; D87-R91 PolarHBondContact OD2-NH2 2.97Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 HydrophobicContact CB-CG 4.48Å; R91-E95 IonicContact CZ-OE1 2.81Å; R91-E95 IonicContact CZ-OE2 2.99Å; R91-E95 IonicContact NH1-OE1 2.82Å; R91-E95 PolarHBondContact NH1-OE1 3.07Å; R91-E95 IonicContact NH1-OE2 3.78Å; R91-E95 IonicContact NH2-OE1 3.02Å; R91-E95 PolarHBondContact NH2-OE1 3Å; R91-E95 IonicContact NH2-OE2 3.3Å; R91-E95 PolarHBondContact NH2-OE2 3.24Å
92H75.2Confident79.6Confident78 Ų7859.1 Ų59.136%0.36132%0.322SS..  trans-147.4149.9176.363.3-84.2000110H83 T94H83-H92 AromaticContact CE1-CE1 3.5Å; H83-H92 AromaticContact CE1-CG 3.85Å; H83-H92 AromaticContact CE1-ND1 3.34Å; H83-H92 PolarHBondContact CE1-ND1 3.12Å; H83-H92 VanDerWaalsContact CE1-ND1 3.34Å; H83-H92 AromaticContact CG-CD2 3.69Å; H83-H92 AromaticContact CG-CE1 3.85Å; H83-H92 AromaticContact CG-CG 3.9Å; H83-H92 AromaticContact CG-NE2 3.65Å; H83-H92 AromaticContact ND1-CD2 3.36Å; H83-H92 PolarHBondContact ND1-CD2 3.26Å; H83-H92 AromaticContact ND1-CE1 3.3Å; H83-H92 PolarHBondContact ND1-CE1 3.14Å; H83-H92 VanDerWaalsContact ND1-CE1 3.3Å; H83-H92 AromaticContact ND1-CG 3.09Å; H83-H92 AromaticContact ND1-ND1 3.07Å; H83-H92 PolarHBondContact ND1-ND1 3.03Å; H83-H92 AromaticContact ND1-NE2 3.48Å; H83-H92 PolarHBondContact ND1-NE2 2.77Å; H92-T94 VanDerWaalsContact C-N 3.29Å; H92-T94 PolarHBondContact O-N 3.37Å; H92-T94 VanDerWaalsContact O-N 3.12Å
93G63.7Low79.8Confident34 Ų3457.8 Ų57.835%0.35131%0.308SS..SBendtrans78-18171.300000118
94T60.5Low79.9Confident120 Ų12055.9 Ų55.974%0.73630%0.299SS*.SBendtrans-90.2-26.5178.952.70000114.6H92H92-T94 VanDerWaalsContact C-N 3.29Å; H92-T94 PolarHBondContact O-N 3.37Å; H92-T94 VanDerWaalsContact O-N 3.12Å
95E68.8Low80Confident93 Ų9360.4 Ų60.444%0.43532%0.316SS..SBendtrans-113.6150.5177.2-68.3172.1-173.700108.7F80 R91F80-E95 VanDerWaalsContact CD1-O 3.29Å; F80-E95 WeakPolarHBondContact CD1-O 3.17Å; F80-E95 WeakPolarHBondContact CE1-O 3.2Å; R91-E95 IonicContact CZ-OE1 2.81Å; R91-E95 IonicContact CZ-OE2 2.99Å; R91-E95 IonicContact NH1-OE1 2.82Å; R91-E95 PolarHBondContact NH1-OE1 3.07Å; R91-E95 IonicContact NH1-OE2 3.78Å; R91-E95 IonicContact NH2-OE1 3.02Å; R91-E95 PolarHBondContact NH2-OE1 3Å; R91-E95 IonicContact NH2-OE2 3.3Å; R91-E95 PolarHBondContact NH2-OE2 3.24Å
96D75.4Confident80Confident79 Ų7961.8 Ų61.842%0.42232%0.322SS..  trans-78.5142.6173.9-82.3-31.8000110K81K81-D96 WeakPolarHBondContact CE-OD1 3.1Å; K81-D96 IonicContact NZ-OD1 2.88Å; K81-D96 PolarHBondContact NZ-OD1 3.13Å
97F85.1Confident79.7Confident0 Ų061.3 Ų61.30%032%0.32CS..  trans-69.5134.8172.4178.8-82.6000110.1A49 V50 L73 L76 R77 F80 Y104A49-F97 HydrophobicContact CB-CZ 4.09Å; V50-F97 HydrophobicContact CG2-CE1 3.88Å; V50-F97 HydrophobicContact CG2-CZ 4.48Å; L73-F97 HydrophobicContact CD1-CD1 3.54Å; L73-F97 HydrophobicContact CD1-CE1 3.68Å; L76-F97 HydrophobicContact CB-CD1 3.66Å; L76-F97 HydrophobicContact CB-CE1 3.63Å; L76-F97 HydrophobicContact CB-CG 4.2Å; L76-F97 HydrophobicContact CB-CZ 4.12Å; L76-F97 HydrophobicContact CD1-CE1 3.72Å; L76-F97 HydrophobicContact CD1-CZ 3.95Å; L76-F97 HydrophobicContact CG-CE1 4.22Å; L76-F97 HydrophobicContact CG-CZ 4.42Å; R77-F97 HydrophobicContact CB-CB 4.49Å; R77-F97 HydrophobicContact CG-CB 3.84Å; R77-F97 WeakPolarHBondContact CG-O 3.44Å; R77-F97 PolarHBondContact NE-O 3.43Å; F80-F97 HydrophobicContact CB-CB 4.05Å; F80-F97 HydrophobicContact CG-CB 4.33Å; F97-Y104 HydrophobicContact CD2-CD1 4.18Å; F97-Y104 HydrophobicContact CD2-CD2 4.29Å; F97-Y104 AromaticContact CD2-CE1 3.76Å; F97-Y104 HydrophobicContact CD2-CE1 3.76Å; F97-Y104 AromaticContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CG 4.42Å; F97-Y104 AromaticContact CD2-CZ 3.59Å; F97-Y104 HydrophobicContact CE2-CD1 4.23Å; F97-Y104 AromaticContact CE2-CD2 3.67Å; F97-Y104 HydrophobicContact CE2-CD2 3.67Å; F97-Y104 HydrophobicContact CE2-CE1 4.13Å; F97-Y104 AromaticContact CE2-CE2 3.54Å; F97-Y104 HydrophobicContact CE2-CE2 3.54Å; F97-Y104 HydrophobicContact CE2-CG 4.02Å; F97-Y104 AromaticContact CE2-CZ 3.79Å; F97-Y104 HydrophobicContact CZ-CD2 4.49Å; F97-Y104 HydrophobicContact CZ-CE2 4.28Å
98E83.7Confident78.8Confident97 Ų9766.4 Ų66.445%0.45335%0.352SS..  trans-122.9146.5-175.6-67.5-174.9179.400112.1N100E98-N100 VanDerWaalsContact C-N 3.25Å; E98-N100 WeakPolarHBondContact CB-ND2 3.4Å; E98-N100 PolarHBondContact O-N 2.88Å; E98-N100 PolarHBondContact OE2-ND2 3.36Å
99D86.8Confident77.8Confident59 Ų5972.4 Ų72.432%0.31638%0.38SS..SBendtrans-81.271.7174.4-168.6-1.3000109.4S47 V50 R69 L73S47-D99 VanDerWaalsContact CA-OD1 3.24Å; S47-D99 WeakPolarHBondContact CA-OD1 3.26Å; S47-D99 WeakPolarHBondContact CB-OD1 3.21Å; V50-D99 HydrophobicContact CG2-CB 4.18Å; R69-D99 IonicContact CZ-OD2 3.35Å; R69-D99 IonicContact NE-OD2 2.83Å; R69-D99 PolarHBondContact NE-OD2 3.32Å; R69-D99 IonicContact NH2-OD1 3.48Å; R69-D99 PolarHBondContact NH2-OD1 2.79Å; R69-D99 VanDerWaalsContact NH2-OD1 3.13Å; R69-D99 IonicContact NH2-OD2 2.75Å; R69-D99 PolarHBondContact NH2-OD2 3.13Å; L73-D99 HydrophobicContact CD1-CB 4.03Å; L73-D99 HydrophobicContact CD2-CB 4.38Å
100N85.2Confident76.6Confident38 Ų3867.5 Ų67.520%0.20337%0.365CS..SBendtrans-142.4-171.8-177.466.419.9000111.8G46 S47 E98 H102G46-N100 WeakPolarHBondContact CA-O 3.44Å; G46-N100 PolarHBondContact N-O 2.62Å; G46-N100 VanDerWaalsContact N-O 3.15Å; S47-N100 PolarHBondContact N-O 3.26Å; E98-N100 VanDerWaalsContact C-N 3.25Å; E98-N100 WeakPolarHBondContact CB-ND2 3.4Å; E98-N100 PolarHBondContact O-N 2.88Å; E98-N100 PolarHBondContact OE2-ND2 3.36Å; N100-H102 VanDerWaalsContact CG-CD2 3.46Å; N100-H102 PolarHBondContact ND2-CD2 3.49Å; N100-H102 PolarHBondContact O-N 2.72Å; N100-H102 WeakPolarHBondContact OD1-CB 3.41Å; N100-H102 PolarHBondContact OD1-CD2 3.35Å; N100-H102 VanDerWaalsContact OD1-CG 3.32Å; N100-H102 PolarHBondContact OD1-N 3.36Å
101S83.8Confident75.8Confident100 Ų10069.7 Ų69.770%0.69937%0.374SS*.SBendtrans-82.111.2179.857.30000114.2
102H86.4Confident74.5Confident109 Ų10968.9 Ų68.951%0.50538%0.376SS..  trans-64.1142.1171.6-72.8-44.9000111.1T45 G46 N100 Y104T45-H102 CarbonylContact C-O 3.59Å; T45-H102 VanDerWaalsContact CA-O 3.29Å; T45-H102 WeakPolarHBondContact CA-O 3.46Å; G46-H102 PolarHBondContact N-O 3.44Å; N100-H102 VanDerWaalsContact CG-CD2 3.46Å; N100-H102 PolarHBondContact ND2-CD2 3.49Å; N100-H102 PolarHBondContact O-N 2.72Å; N100-H102 WeakPolarHBondContact OD1-CB 3.41Å; N100-H102 PolarHBondContact OD1-CD2 3.35Å; N100-H102 VanDerWaalsContact OD1-CG 3.32Å; N100-H102 PolarHBondContact OD1-N 3.36Å; H102-Y104 HydrophobicContact CB-CE2 3.89Å; H102-Y104 WeakPolarHBondContact O-CD2 3.48Å; H102-Y104 WeakPolarHBondContact O-CE2 3.45Å
103L87.8Confident72.8Confident18 Ų1874.8 Ų74.89%0.09440%0.401CS..EExtended strand (participates in β ladder)trans-91.4132.8-176.9-63.4177.5000110.3H33 A35 Y40 T45 V88H33-L103 HydrophobicContact CB-CD1 3.81Å; H33-L103 HydrophobicContact CB-CD2 3.5Å; H33-L103 VanDerWaalsContact CB-CD2 3.5Å; H33-L103 HydrophobicContact CB-CG 4.33Å; A35-L103 HydrophobicContact CB-CD1 3.59Å; Y40-L103 HydrophobicContact CD2-CD1 3.69Å; Y40-L103 HydrophobicContact CE2-CD1 4.32Å; Y40-L103 HydrophobicContact CG-CD1 4.45Å; T45-L103 HydrophobicContact CG2-CD2 4.01Å; V88-L103 HydrophobicContact CB-CB 4.43Å; V88-L103 HydrophobicContact CG2-CB 3.38Å; V88-L103 HydrophobicContact CG2-CD1 4.47Å; V88-L103 WeakPolarHBondContact CG2-O 3.11Å; V88-L103 PolarHBondContact N-O 3.31Å
104Y88.2Confident71.4Confident12 Ų1278.4 Ų78.45%0.04742%0.421CS..EExtended strand (participates in β ladder)trans-125.9159.7176.6-61.8-83.6000110T43 F44 F80 I85 E86 F97 H102T43-Y104 WeakPolarHBondContact CA-O 3.42Å; T43-Y104 WeakPolarHBondContact CB-O 3.2Å; F44-Y104 HydrophobicContact CE2-CG 4.49Å; F44-Y104 PolarHBondContact N-O 3.05Å; F44-Y104 PolarHBondContact O-N 3.17Å; F80-Y104 HydrophobicContact CD2-CD1 4.28Å; F80-Y104 HydrophobicContact CD2-CE1 4.17Å; F80-Y104 AromaticContact CE2-CD1 3.95Å; F80-Y104 HydrophobicContact CE2-CD1 3.95Å; F80-Y104 AromaticContact CE2-CE1 3.77Å; F80-Y104 HydrophobicContact CE2-CE1 3.77Å; F80-Y104 HydrophobicContact CZ-CE1 4.37Å; I85-Y104 HydrophobicContact CG2-CD1 4.14Å; I85-Y104 HydrophobicContact CG2-CG 4.19Å; E86-Y104 CarbonylContact O-C 3.57Å; E86-Y104 WeakPolarHBondContact O-CA 3.37Å; F97-Y104 HydrophobicContact CD2-CD1 4.18Å; F97-Y104 HydrophobicContact CD2-CD2 4.29Å; F97-Y104 AromaticContact CD2-CE1 3.76Å; F97-Y104 HydrophobicContact CD2-CE1 3.76Å; F97-Y104 AromaticContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CG 4.42Å; F97-Y104 AromaticContact CD2-CZ 3.59Å; F97-Y104 HydrophobicContact CE2-CD1 4.23Å; F97-Y104 AromaticContact CE2-CD2 3.67Å; F97-Y104 HydrophobicContact CE2-CD2 3.67Å; F97-Y104 HydrophobicContact CE2-CE1 4.13Å; F97-Y104 AromaticContact CE2-CE2 3.54Å; F97-Y104 HydrophobicContact CE2-CE2 3.54Å; F97-Y104 HydrophobicContact CE2-CG 4.02Å; F97-Y104 AromaticContact CE2-CZ 3.79Å; F97-Y104 HydrophobicContact CZ-CD2 4.49Å; F97-Y104 HydrophobicContact CZ-CE2 4.28Å; H102-Y104 HydrophobicContact CB-CE2 3.89Å; H102-Y104 WeakPolarHBondContact O-CD2 3.48Å; H102-Y104 WeakPolarHBondContact O-CE2 3.45Å
105R87.7Confident69.9Low97 Ų9780.8 Ų80.837%0.36643%0.428SS..EExtended strand (participates in β ladder)trans-142.7164.2176.170.6-177.9-169.7174.75.2111.2T43 E86T43-R105 HydrophobicContact CG2-CB 4.17Å; E86-R105 HydrophobicContact CG-CG 3.64Å; E86-R105 PolarHBondContact N-O 3.48Å; E86-R105 PolarHBondContact O-N 2.96Å; E86-R105 IonicContact OE1-CZ 3.36Å; E86-R105 IonicContact OE1-NE 2.66Å; E86-R105 PolarHBondContact OE1-NE 3.2Å; E86-R105 IonicContact OE1-NH2 2.86Å; E86-R105 PolarHBondContact OE1-NH2 3.13Å
106F87.6Confident68.4Low29 Ų2982 Ų8213%0.12745%0.445CS..  trans-84.1131.1172.3-69.1-57.9000110.8F24 R25 M28 L30 F44 I85F24-F106 AromaticContact CD1-CE1 3.81Å; F24-F106 HydrophobicContact CD1-CE1 3.81Å; F24-F106 AromaticContact CD1-CZ 3.91Å; F24-F106 HydrophobicContact CD1-CZ 3.91Å; F24-F106 AromaticContact CE1-CE1 3.52Å; F24-F106 HydrophobicContact CE1-CE1 3.52Å; F24-F106 AromaticContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CZ-CZ 4.29Å; R25-F106 HydrophobicContact CG-CD1 3.92Å; R25-F106 HydrophobicContact CG-CE1 3.72Å; R25-F106 HydrophobicContact CG-CZ 4.23Å; M28-F106 HydrophobicContact CB-CE2 3.99Å; M28-F106 HydrophobicContact CB-CZ 3.89Å; M28-F106 HydrophobicContact CG-CE2 4.16Å; M28-F106 HydrophobicContact CG-CZ 4.08Å; L30-F106 HydrophobicContact CD1-CD2 4.2Å; L30-F106 HydrophobicContact CD2-CD2 3.81Å; L30-F106 HydrophobicContact CD2-CE2 3.75Å; L30-F106 HydrophobicContact CG-CE2 4.48Å; F44-F106 HydrophobicContact CD1-CE2 4.33Å; F44-F106 HydrophobicContact CE1-CD1 4.3Å; F44-F106 AromaticContact CE1-CD2 3.96Å; F44-F106 HydrophobicContact CE1-CD2 3.96Å; F44-F106 HydrophobicContact CE1-CE1 4.06Å; F44-F106 AromaticContact CE1-CE2 3.69Å; F44-F106 HydrophobicContact CE1-CE2 3.69Å; F44-F106 HydrophobicContact CE1-CG 4.26Å; F44-F106 AromaticContact CE1-CZ 3.74Å; F44-F106 HydrophobicContact CE1-CZ 3.74Å; F44-F106 HydrophobicContact CZ-CE1 4.12Å; F44-F106 HydrophobicContact CZ-CE2 4.49Å; F44-F106 HydrophobicContact CZ-CZ 4.1Å; I85-F106 HydrophobicContact CG1-CD1 4.4Å; I85-F106 HydrophobicContact CG1-CE1 4.13Å
107P80.8Confident66.6Low4 Ų484.2 Ų84.23%0.02646%0.461CS..  trans-58.3143.3173-24.732.5000111.9R25 V84 E86 M109R25-P107 PolarHBondContact NH2-O 2.96Å; V84-P107 WeakPolarHBondContact O-CD 3.45Å; E86-P107 HydrophobicContact CB-CG 4.13Å; E86-P107 HydrophobicContact CG-CG 3.84Å; P107-M109 PolarHBondContact O-N 2.91Å
108T66.1Low63.8Low132 Ų13295.5 Ų95.581%0.8150%0.503SS*.SBendtrans-66.1-22.6178.450.40000113
109M57.7Low61.3Low146 Ų14695.1 Ų95.172%0.71951%0.509SS*.SBendtrans-108.2113.2172.2-65.9-80.486.600109.3P107P107-M109 PolarHBondContact O-N 2.91Å
110S52Low58.7Low46 Ų4697.3 Ų97.332%0.32253%0.529SS..  trans-72.8138174.7167.60000110.2L112S110-L112 VanDerWaalsContact CB-O 3.3Å; S110-L112 WeakPolarHBondContact CB-O 3.5Å; S110-L112 CarbonylContact O-C 3.52Å; S110-L112 PolarHBondContact O-N 3.28Å; S110-L112 VanDerWaalsContact O-N 3.1Å; S110-L112 PolarHBondContact OG-N 3.4Å; S110-L112 VanDerWaalsContact OG-N 3.12Å; S110-L112 PolarHBondContact OG-O 3.31Å
111P55.3Low56Low75 Ų75106.7 Ų106.749%0.48756%0.562SS.*SBendtrans-60.2-16.8170.90.31.7000113.3V84V84-P111 HydrophobicContact CG2-CG 4.32Å
112L47.1Very low53.6Low81 Ų81112.9 Ų112.942%0.42457%0.57SS.*SBendtrans-100.6108.9167.5-58.7173.1000108S110 S114S110-L112 VanDerWaalsContact CB-O 3.3Å; S110-L112 WeakPolarHBondContact CB-O 3.5Å; S110-L112 CarbonylContact O-C 3.52Å; S110-L112 PolarHBondContact O-N 3.28Å; S110-L112 VanDerWaalsContact O-N 3.1Å; S110-L112 PolarHBondContact OG-N 3.4Å; S110-L112 VanDerWaalsContact OG-N 3.12Å; S110-L112 PolarHBondContact OG-O 3.31Å; L112-S114 PolarHBondContact O-N 2.87Å
113K39.9Very low51.4Low201 Ų201115.2 Ų115.287%0.87459%0.586SS**  trans-54.1132.9-176.3-84.2178.4174.8175.80113.2
114S33.6Very low48.7Very low111 Ų111122.1 Ų122.178%0.77662%0.623SS**  trans47.1115.2162.263.80000119.7L112L112-S114 PolarHBondContact O-N 2.87Å
115L29.7Very low46.5Very low169 Ų169124.3 Ų124.389%0.88565%0.65SS**PPolyproline II helixtrans-96.1135.5150.4-77.1169.5000109.6
116P37.3Very low44.5Very low120 Ų120127.5 Ų127.578%0.77967%0.674SS**PPolyproline II helixtrans-72.4138.9154.9-4.622.2000110
117T36.3Very low41.9Very low124 Ų124133.6 Ų133.676%0.76171%0.707SS**PPolyproline II helixtrans-56.6140.4-174.5-50.70000115.9
118R26.5Very low39.7Very low238 Ų238139.2 Ų139.290%0.89874%0.743SS**  -168.5119122-104.7179.6-174.9-173.91.7110.2S120R118-S120 PolarHBondContact O-N 3.27Å
119P31.6Very low38.2Very low89 Ų89144.5 Ų144.558%0.57875%0.749SS**  trans-75.1118.7156.42.215.4000107.6W121P119-W121 PolarHBondContact O-N 3.43Å
120S31.6Very low37.2Very low105 Ų105145.8 Ų145.873%0.73476%0.757SS**  trans-71.1107.4157.472.70000106.6R118 R122R118-S120 PolarHBondContact O-N 3.27Å; S120-R122 PolarHBondContact O-N 3.44Å; S120-R122 VanDerWaalsContact O-N 3.08Å
121W30Very low36.4Very low234 Ų234150.1 Ų150.189%0.88678%0.775SS**  trans-67.1105.1164.2-6782.4000106.4P119P119-W121 PolarHBondContact O-N 3.43Å
122R33.3Very low35.3Very low231 Ų231154.4 Ų154.487%0.87278%0.782SS**  trans-80.3121.3156.7-87.2-145.1-81.6-103.82.7106.7S120 D124S120-R122 PolarHBondContact O-N 3.44Å; S120-R122 VanDerWaalsContact O-N 3.08Å; R122-D124 PolarHBondContact O-N 3.24Å
123D40.1Very low34.9Very low157 Ų157159.6 Ų159.684%0.8480%0.796SS**  trans-56.8117.3169.1-157.716000108.5
124D30.3Very low34.5Very low163 Ų163156.3 Ų156.387%0.87279%0.788SS**  trans-148.2119157.6-125-42.3000107.5R122R122-D124 PolarHBondContact O-N 3.24Å
125G42.9Very low34.4Very low59 Ų59156.4 Ų156.461%0.60878%0.78SS**  trans-71.9128.1-172.500000111.3
126D44.5Very low34.7Very low163 Ų163157.9 Ų157.987%0.87278%0.775SS**  trans155.462.9143.8-80.6-18.2000111.1
127L34.1Very low34.6Very low157 Ų157160.7 Ų160.782%0.82278%0.778SS**SBendtrans-124.8139.6159.2-74.4171.9000108.9R129L127-R129 PolarHBondContact O-N 3.26Å
128P34.8Very low34.8Very low122 Ų122163.9 Ų163.979%0.79278%0.784SS**  trans-58.4125.7-178.823.1-30.8000108.9L130P128-L130 PolarHBondContact O-N 3.5Å
129R34.1Very low35Very low244 Ų244159 Ų15992%0.92178%0.775SS**  trans-49.3108.7-177.2-68.6-177.6-177.1-172.10.7109.7L127 I131L127-R129 PolarHBondContact O-N 3.26Å; R129-I131 PolarHBondContact O-N 3.13Å; R129-I131 VanDerWaalsContact O-N 3.12Å
130L36Very low35Very low172 Ų172160.5 Ų160.590%0.90179%0.785SS**  trans-61.7114.5160.1-153.989.1000105.3P128 R132P128-L130 PolarHBondContact O-N 3.5Å; L130-R132 PolarHBondContact O-N 3.18Å
131I35Very low35Very low137 Ų137165.2 Ų165.270%0.70380%0.795SS**  trans-50.1116.7-178.6-63.6167.7000108.1R129R129-I131 PolarHBondContact O-N 3.13Å; R129-I131 VanDerWaalsContact O-N 3.12Å
132R32.3Very low35.1Very low165 Ų165163.2 Ų163.262%0.62379%0.793SS**  trans-79.7123.2173.5-157.5-174.776-154.4-1.6107L130 D134 D135L130-R132 PolarHBondContact O-N 3.18Å; R132-D134 PolarHBondContact O-N 3.39Å; R132-D134 VanDerWaalsContact O-N 3.13Å; R132-D135 IonicContact CZ-OD1 3.87Å; R132-D135 IonicContact CZ-OD2 3.5Å; R132-D135 IonicContact NH2-OD1 2.9Å; R132-D135 PolarHBondContact NH2-OD1 2.88Å; R132-D135 IonicContact NH2-OD2 3.34Å; R132-D135 PolarHBondContact NH2-OD2 3.46Å
133W38.2Very low35.1Very low191 Ų191161.2 Ų161.272%0.72379%0.793SS**THydrogen-bonded Turntrans-80.114.5-167.5-77.662.6000115.1
134D32.7Very low34.8Very low132 Ų132161.3 Ų161.371%0.70679%0.794SS**THydrogen-bonded Turntrans-106.51.7-177.1-61.1-36.3000113.7R132R132-D134 PolarHBondContact O-N 3.39Å; R132-D134 VanDerWaalsContact O-N 3.13Å
135D32.2Very low34.9Very low113 Ų113160 Ų16060%0.60479%0.791SS**  trans-107.137.5-175.7-64-6.1000113.4R132R132-D135 IonicContact CZ-OD1 3.87Å; R132-D135 IonicContact CZ-OD2 3.5Å; R132-D135 IonicContact NH2-OD1 2.9Å; R132-D135 PolarHBondContact NH2-OD1 2.88Å; R132-D135 IonicContact NH2-OD2 3.34Å; R132-D135 PolarHBondContact NH2-OD2 3.46Å
136Y34.1Very low34.3Very low199 Ų199161.2 Ų161.278%0.7880%0.796SS**  trans-107.973.9170.4-128.2-90.4000110.5
137E36.9Very low33.9Very low180 Ų180159.4 Ų159.484%0.84179%0.793SS**  trans-71.3136.5146.1-86.2-174.915900108.2L139E137-L139 PolarHBondContact O-N 3.04Å
138E40.6Very low33.9Very low190 Ų190161.4 Ų161.489%0.88880%0.798SS**  trans-45.5120.9-171.5-61.3171.9155.700113.4
139L29.8Very low33.8Very low137 Ų137165.2 Ų165.272%0.71780%0.802SS**  trans-113.7139.3163.3-70.7179.1000111E137E137-L139 PolarHBondContact O-N 3.04Å
140P31Very low34Very low119 Ų119159.5 Ų159.577%0.77380%0.8SS**PPolyproline II helixtrans-71.7139.6-170.4-10.226.5000111.8K142P140-K142 PolarHBondContact O-N 3.45Å
141Q31.8Very low33.8Very low205 Ų205156.1 Ų156.196%0.95880%0.796SS**PPolyproline II helixtrans-57.2117.7175.8-69.2176.1-1600111
142K32Very low33.6Very low191 Ų191158.5 Ų158.583%0.8381%0.805SS**PPolyproline II helixtrans-102.6119.5161.6-109.3-177.3175.7-179.50108.5P140 N144P140-K142 PolarHBondContact O-N 3.45Å; K142-N144 PolarHBondContact O-N 3.39Å
143E34.7Very low33.7Very low189 Ų189158.7 Ų158.788%0.88382%0.817SS**PPolyproline II helixtrans-59.3120.9169.9-74.9176.6143.300110
144N33.7Very low33.5Very low159 Ų159155.9 Ų155.985%0.8582%0.821SS**  trans-97.1103.1171-70.8-41.7000108.8K142K142-N144 PolarHBondContact O-N 3.39Å
145V32.2Very low33.9Very low135 Ų135154.4 Ų154.482%0.81882%0.821SS**PPolyproline II helixtrans-78.4121.81631760000107.9
146A30.8Very low34.3Very low85 Ų85155.9 Ų155.970%0.70283%0.829SS**PPolyproline II helixtrans-78.2142.2174.600000111Q148A146-Q148 PolarHBondContact O-N 2.94Å
147P34.3Very low34.7Very low125 Ų125154.2 Ų154.281%0.81283%0.833SS**PPolyproline II helixtrans-78.3122.5178.74.710.9000110.9K149P147-K149 PolarHBondContact O-N 3.29Å
148Q34.5Very low34.7Very low200 Ų200154 Ų15494%0.93582%0.824SS**PPolyproline II helixtrans-65.1118.6163.2-94-179.6-56.100109.5A146A146-Q148 PolarHBondContact O-N 2.94Å
149K33.4Very low34.9Very low201 Ų201151.3 Ų151.387%0.87482%0.816SS**  trans-116.9115155.2-81.2-171.1176.8-177.90109.1P147P147-K149 PolarHBondContact O-N 3.29Å
150S37.5Very low35.4Very low125 Ų125154.2 Ų154.287%0.87482%0.823SS**  trans-66124.5162.548.40000109.8
151A32.4Very low35.8Very low100 Ų100156.7 Ų156.783%0.82682%0.817SS**  trans-145.6139.3162.100000109.3
152E31.2Very low36.2Very low188 Ų188155.8 Ų155.888%0.87981%0.812SS**  trans-73.2149.2-158-69.4152.1148.800114T154E152-T154 PolarHBondContact O-N 2.55Å
153L32.9Very low36.7Very low168 Ų168152.1 Ų152.188%0.8881%0.811SS**  trans-66.4111.9173.3-174.577.5000109.9
154T34.3Very low37.1Very low132 Ų132149.1 Ų149.181%0.8181%0.805SS**  trans-106.9134.9158.337.10000109.8E152 D156E152-T154 PolarHBondContact O-N 2.55Å; T154-D156 PolarHBondContact O-N 2.95Å
155S42.7Very low37.5Very low101 Ų101146.2 Ų146.271%0.70680%0.803SS**  trans-89.526.8-151.6-179.40000115.5
156D39.3Very low37.9Very low144 Ų144146.5 Ų146.577%0.7780%0.798SS**  trans-120.729.7-163.1-65.3-33000116.6T154T154-D156 PolarHBondContact O-N 2.95Å
157L42.2Very low38.4Very low164 Ų164145.2 Ų145.286%0.85979%0.794SS**  trans-134.641.1168.4-71.1171.3000113.1N159L157-N159 PolarHBondContact O-N 2.87Å; L157-N159 VanDerWaalsContact O-N 3.1Å
158W37.8Very low39.1Very low175 Ų175146.4 Ų146.466%0.66379%0.793SS**  trans-58.2-12.1165.7-178.9-99.4000113.8K160 R161W158-K160 PolarHBondContact O-N 3.05Å; W158-R161 VanDerWaalsContact CH2-CZ 3.46Å; W158-R161 VanDerWaalsContact CZ2-CZ 3.42Å
159N44.4Very low39.7Very low135 Ų135142.2 Ų142.272%0.72278%0.781SS**  trans-102.773.8-176.3-67.5-26.1000112.6L157L157-N159 PolarHBondContact O-N 2.87Å; L157-N159 VanDerWaalsContact O-N 3.1Å
160K40.6Very low40.7Very low197 Ų197138.4 Ų138.486%0.85777%0.766SS**  trans-170.147.2147.9-102.6158.5-171.5178.50110.6W158 H162W158-K160 PolarHBondContact O-N 3.05Å; K160-H162 PolarHBondContact O-N 2.54Å
161R39.8Very low41.5Very low171 Ų171139 Ų13965%0.64576%0.755SS**THydrogen-bonded Turntrans-66.399.8160.9-71.9177.4168.3-165.4-8.9107.8W158W158-R161 VanDerWaalsContact CH2-CZ 3.46Å; W158-R161 VanDerWaalsContact CZ2-CZ 3.42Å
162H38.8Very low42.4Very low187 Ų187137.2 Ų137.287%0.86674%0.736SS**THydrogen-bonded Turntrans-165.821.3143.2-85174.9000111.3K160 V164K160-H162 PolarHBondContact O-N 2.54Å; H162-V164 VanDerWaalsContact C-N 3.27Å; H162-V164 PolarHBondContact O-N 3.31Å; H162-V164 VanDerWaalsContact O-N 3.09Å
163S43.6Very low43.7Very low114 Ų114134.9 Ų134.980%0.79772%0.723SS**  trans-76.390.3155.5-55.40000106.6A165S163-A165 PolarHBondContact O-N 2.9Å
164V42.7Very low45Very low125 Ų125132.1 Ų132.176%0.75871%0.709SS**  trans-42.9130.1158.9172.70000106.5H162 I166H162-V164 VanDerWaalsContact C-N 3.27Å; H162-V164 PolarHBondContact O-N 3.31Å; H162-V164 VanDerWaalsContact O-N 3.09Å; V164-I166 VanDerWaalsContact C-N 3.28Å; V164-I166 PolarHBondContact O-N 3.06Å
165A42.4Very low46.4Very low98 Ų98129.4 Ų129.481%0.8169%0.688SS**  trans-51.891.2178.200000110.4S163 G167S163-A165 PolarHBondContact O-N 2.9Å; A165-G167 PolarHBondContact O-N 3.25Å; A165-G167 VanDerWaalsContact O-N 3.14Å
166I40.1Very low47Very low141 Ų141133.2 Ų133.272%0.72369%0.687SS**  trans-77.391.6156.6-58.8174.9000102.2V164 V169V164-I166 VanDerWaalsContact C-N 3.28Å; V164-I166 PolarHBondContact O-N 3.06Å; I166-V169 HydrophobicContact CG2-CG2 3.58Å
167G42.3Very low48.1Very low59 Ų59130.4 Ų130.461%0.60867%0.666SS**  trans-49.3148.9165.300000108.8A165 V169A165-G167 PolarHBondContact O-N 3.25Å; A165-G167 VanDerWaalsContact O-N 3.14Å; G167-V169 PolarHBondContact O-N 3.13Å
168D49.1Very low49.1Very low150 Ų150134 Ų13480%0.80267%0.668SS**  trans-30.4114.8-174.8-68.9-36.7000111.9H170D168-H170 PolarHBondContact O-N 2.99Å; D168-H170 PolarHBondContact O-ND1 3Å
169V46.7Very low50.7Low112 Ų112134.3 Ų134.368%0.67968%0.677SS**  trans-61.4107.7177179.20000105.6I166 G167 E171I166-V169 HydrophobicContact CG2-CG2 3.58Å; G167-V169 PolarHBondContact O-N 3.13Å; V169-E171 PolarHBondContact O-N 2.73Å
170H53.4Low52.5Low120 Ų120129.3 Ų129.356%0.55665%0.651SS**PPolyproline II helixtrans-56.6128.9-177.5-67.755.2000107.5D168 C172 A421D168-H170 PolarHBondContact O-N 2.99Å; D168-H170 PolarHBondContact O-ND1 3Å; H170-C172 PolarHBondContact O-N 2.93Å; H170-C172 PolarHBondContact O-SG 3.49Å; H170-A421 HydrophobicContact CB-CB 4.33Å; H170-A421 WeakPolarHBondContact CB-O 3.29Å; H170-A421 PolarHBondContact CD2-O 3.46Å
171E54.6Low54.6Low138 Ų138123.5 Ų123.565%0.64563%0.632SS**PPolyproline II helixtrans-50.6118.6-177.2-73.6-173.4166.300110.1V169 A421V169-E171 PolarHBondContact O-N 2.73Å; E171-A421 HydrophobicContact CB-CB 4.16Å; E171-A421 WeakPolarHBondContact O-CB 3.33Å; E171-A421 PolarHBondContact O-N 2.77Å
172C51.4Low56.9Low63 Ų63119.3 Ų119.343%0.42663%0.629SS.*EExtended strand (participates in β ladder)trans-92.1121.4178.4-60.30000108.6H170 I418 Y420H170-C172 PolarHBondContact O-N 2.93Å; H170-C172 PolarHBondContact O-SG 3.49Å; C172-I418 HydrophobicContact CB-CG2 4.03Å; C172-Y420 WeakPolarHBondContact SG-CD1 3.33Å; C172-Y420 WeakPolarHBondContact SG-CE1 3.39Å
173K59.7Low59.3Low138 Ų138118.3 Ų118.360%0.662%0.622SS**EExtended strand (participates in β ladder)trans-103.3121.1173.3-66.7-178.9-178.2176.20109.1I175 K419K173-I175 PolarHBondContact O-N 3.35Å; K173-K419 PolarHBondContact N-O 2.99Å; K173-K419 PolarHBondContact O-N 3.29Å
174L59.1Low61.5Low111 Ų111117.6 Ų117.658%0.58161%0.606SS**EExtended strand (participates in β ladder)trans-75.5107.2169.3-174.471000108.2R176 A416 I418L174-R176 PolarHBondContact O-N 3.42Å; L174-A416 HydrophobicContact CD1-CB 3.71Å; L174-A416 HydrophobicContact CG-CB 4.34Å; L174-I418 HydrophobicContact CD1-CG1 4.02Å
175I63.9Low63.8Low74 Ų74113.2 Ų113.238%0.37958%0.58SS.*EExtended strand (participates in β ladder)trans-87106.7175-56.2177.2000107.3K173 R177 Q417 K419K173-I175 PolarHBondContact O-N 3.35Å; I175-R177 PolarHBondContact O-N 3.29Å; I175-Q417 PolarHBondContact N-O 3.46Å; I175-Q417 PolarHBondContact O-N 2.94Å; I175-K419 HydrophobicContact CD1-CB 3.66Å; I175-K419 HydrophobicContact CD1-CD 3.98Å; I175-K419 HydrophobicContact CD1-CG 4.42Å; I175-K419 HydrophobicContact CG1-CB 4.32Å
176R54.9Low66.2Low182 Ų182109.4 Ų109.469%0.68755%0.546SS*.PPolyproline II helixtrans-66.2116.9162.8-88.8-172.6172.8-177.3-0.7108L174L174-R176 PolarHBondContact O-N 3.42Å
177R62.4Low68.8Low84 Ų84108.5 Ų108.532%0.31754%0.538SS..PPolyproline II helixtrans-69.7144.7170.7-77.4-170.1167.7-153.9-2.5109.6I175 L413 Q417I175-R177 PolarHBondContact O-N 3.29Å; R177-L413 WeakPolarHBondContact CD-O 3.47Å; R177-Q417 VanDerWaalsContact NE-OE1 3.12Å
178R63.2Low71.2Confident240 Ų240106.4 Ų106.491%0.90651%0.513SS*.PPolyproline II helixtrans-53.5141.3173-71.1-179.9177.7174.8-1.3109.6V180R178-V180 PolarHBondContact O-N 3.38Å
179E72.1Confident73.4Confident181 Ų18199.3 Ų99.385%0.84648%0.475SS*.PPolyproline II helixtrans-56.5134.8175.5-67.8-173.9162.800110.7T181E179-T181 PolarHBondContact O-N 3.18Å; E179-T181 VanDerWaalsContact O-N 3.13Å
180V80.9Confident75.7Confident31 Ų3196.3 Ų96.319%0.18845%0.453CS..  trans-69.7111.7178.4-175.70000108.2R178 Q184 V185 L410 L413 K414R178-V180 PolarHBondContact O-N 3.38Å; V180-Q184 HydrophobicContact CG1-CB 3.96Å; V180-V185 HydrophobicContact CG1-CG2 3.74Å; V180-L410 HydrophobicContact CG1-CD2 4.1Å; V180-L413 HydrophobicContact CG2-CB 4.1Å; V180-K414 HydrophobicContact CG2-CG 3.92Å
181T86.3Confident77.7Confident74 Ų7492.8 Ų92.845%0.45444%0.441SS..  trans-69.5154.318063.70000111.3E179 K183 Q184 V185E179-T181 PolarHBondContact O-N 3.18Å; E179-T181 VanDerWaalsContact O-N 3.13Å; T181-K183 VanDerWaalsContact C-N 3.27Å; T181-K183 PolarHBondContact O-N 3.18Å; T181-Q184 WeakPolarHBondContact O-CB 3.49Å; T181-Q184 PolarHBondContact O-N 2.7Å; T181-Q184 VanDerWaalsContact OG1-CD 3.29Å; T181-Q184 VanDerWaalsContact OG1-CG 3.24Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.45Å; T181-Q184 PolarHBondContact OG1-N 3.1Å; T181-Q184 PolarHBondContact OG1-OE1 3.37Å; T181-V185 PolarHBondContact O-N 3.26Å; T181-V185 VanDerWaalsContact O-N 3.07Å
182S88.1Confident79.6Confident84 Ų8488.1 Ų88.159%0.58742%0.42SS*.Hα-helixtrans-55.3-40.6176.3159.60000112.6Q184 V185 D186S182-Q184 VanDerWaalsContact C-N 3.29Å; S182-Q184 PolarHBondContact O-N 3.13Å; S182-V185 WeakPolarHBondContact O-CB 3.26Å; S182-V185 PolarHBondContact O-N 3.3Å; S182-V185 VanDerWaalsContact O-N 3.11Å; S182-D186 PolarHBondContact O-N 3.12Å
183K89.4Confident81.7Confident166 Ų16685.1 Ų85.172%0.72240%0.4SS*.Hα-helixtrans-62.2-34.5176.1-67-176.1179.4179.60113.1T181 H187T181-K183 VanDerWaalsContact C-N 3.27Å; T181-K183 PolarHBondContact O-N 3.18Å; K183-H187 WeakPolarHBondContact O-CB 3.4Å; K183-H187 PolarHBondContact O-N 2.9Å
184Q88.8Confident83.4Confident99 Ų9979.7 Ų79.746%0.46338%0.377SS..Hα-helixtrans-69.9-39.2175-75.2166.9-19.800111.2V180 T181 S182 H187 I188V180-Q184 HydrophobicContact CG1-CB 3.96Å; T181-Q184 WeakPolarHBondContact O-CB 3.49Å; T181-Q184 PolarHBondContact O-N 2.7Å; T181-Q184 VanDerWaalsContact OG1-CD 3.29Å; T181-Q184 VanDerWaalsContact OG1-CG 3.24Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.45Å; T181-Q184 PolarHBondContact OG1-N 3.1Å; T181-Q184 PolarHBondContact OG1-OE1 3.37Å; S182-Q184 VanDerWaalsContact C-N 3.29Å; S182-Q184 PolarHBondContact O-N 3.13Å; Q184-H187 PolarHBondContact O-N 3.18Å; Q184-I188 WeakPolarHBondContact O-CB 3.49Å; Q184-I188 WeakPolarHBondContact O-CD1 3.32Å; Q184-I188 WeakPolarHBondContact O-CG1 3.32Å; Q184-I188 PolarHBondContact O-N 2.88Å
185V91.7Very high85Confident32 Ų3277.9 Ų77.919%0.19437%0.371CS..Hα-helixtrans-58.9-49173.3177.60000110.4V180 T181 S182 H187 I188 W189 L410V180-V185 HydrophobicContact CG1-CG2 3.74Å; T181-V185 PolarHBondContact O-N 3.26Å; T181-V185 VanDerWaalsContact O-N 3.07Å; S182-V185 WeakPolarHBondContact O-CB 3.26Å; S182-V185 PolarHBondContact O-N 3.3Å; S182-V185 VanDerWaalsContact O-N 3.11Å; V185-H187 VanDerWaalsContact C-N 3.3Å; V185-H187 PolarHBondContact O-N 2.79Å; V185-I188 PolarHBondContact O-N 3.02Å; V185-W189 VanDerWaalsContact O-CD1 3.26Å; V185-W189 PolarHBondContact O-N 3.12Å; V185-L410 HydrophobicContact CG1-CD1 4.47Å; V185-L410 HydrophobicContact CG2-CD2 4.14Å
186D93.3Very high86.5Confident18 Ų1874.5 Ų74.510%0.09635%0.353CS..Hα-helixtrans-57.7-43.8178-57.1-20.2000111.4S182 W189 K190 G217 K218S182-D186 PolarHBondContact O-N 3.12Å; D186-W189 PolarHBondContact O-N 3.34Å; D186-K190 WeakPolarHBondContact O-CB 3.45Å; D186-K190 PolarHBondContact O-N 3.41Å; D186-G217 WeakPolarHBondContact O-CA 3.3Å; D186-K218 HydrophobicContact CB-CG 4.35Å; D186-K218 WeakPolarHBondContact OD2-CE 3.28Å; D186-K218 WeakPolarHBondContact OD2-CG 3.17Å
187H93.7Very high88.4Confident122 Ų12265.8 Ų65.857%0.56532%0.321SS*.Hα-helixtrans-65.6-40.9178.4-177.776.7000112.7K183 Q184 V185 K190 S191K183-H187 WeakPolarHBondContact O-CB 3.4Å; K183-H187 PolarHBondContact O-N 2.9Å; Q184-H187 PolarHBondContact O-N 3.18Å; V185-H187 VanDerWaalsContact C-N 3.3Å; V185-H187 PolarHBondContact O-N 2.79Å; H187-K190 PolarHBondContact O-N 3.21Å; H187-S191 WeakPolarHBondContact O-CB 3.15Å; H187-S191 PolarHBondContact O-N 3.35Å; H187-S191 PolarHBondContact O-OG 3.47Å
188I93.1Very high90Very high15 Ų1564.6 Ų64.68%0.07732%0.319CS..Hα-helixtrans-63.4-46.8176.9-70.7163.1000110.1Q184 V185 K190 S191 M192 V406 L410 L413Q184-I188 WeakPolarHBondContact O-CB 3.49Å; Q184-I188 WeakPolarHBondContact O-CD1 3.32Å; Q184-I188 WeakPolarHBondContact O-CG1 3.32Å; Q184-I188 PolarHBondContact O-N 2.88Å; V185-I188 PolarHBondContact O-N 3.02Å; I188-K190 VanDerWaalsContact C-N 3.34Å; I188-K190 PolarHBondContact O-N 3.42Å; I188-S191 PolarHBondContact O-N 3.22Å; I188-S191 PolarHBondContact O-OG 3.05Å; I188-S191 VanDerWaalsContact O-OG 3.13Å; I188-M192 HydrophobicContact CG2-CG 4.29Å; I188-M192 HydrophobicContact CG2-SD 3.78Å; I188-M192 WeakPolarHBondContact O-CB 3.09Å; I188-M192 WeakPolarHBondContact O-CG 3.19Å; I188-M192 PolarHBondContact O-N 3.49Å; I188-V406 HydrophobicContact CG2-CG1 3.94Å; I188-L410 HydrophobicContact CD1-CD2 3.56Å; I188-L413 HydrophobicContact CD1-CD1 3.51Å
189W95.1Very high91.4Very high2 Ų259.9 Ų59.91%0.00830%0.301CS..Hα-helixtrans-59.2-46.6175.9-84.2106.8000111.6V185 D186 T193 I220 V221 I224 F225 L402 R403 V406V185-W189 VanDerWaalsContact O-CD1 3.26Å; V185-W189 PolarHBondContact O-N 3.12Å; D186-W189 PolarHBondContact O-N 3.34Å; W189-T193 WeakPolarHBondContact O-CB 3.45Å; W189-T193 PolarHBondContact O-N 3.15Å; W189-T193 PolarHBondContact O-OG1 2.8Å; W189-I220 HydrophobicContact CB-CG2 4.12Å; W189-I220 HydrophobicContact CE3-CG2 4.28Å; W189-V221 HydrophobicContact CB-CG2 4.14Å; W189-V221 VanDerWaalsContact CD1-CG2 3.43Å; W189-V221 HydrophobicContact CG-CG2 3.84Å; W189-I224 HydrophobicContact CD2-CD1 4.05Å; W189-I224 HydrophobicContact CE3-CD1 3.35Å; W189-I224 HydrophobicContact CH2-CD1 3.55Å; W189-I224 HydrophobicContact CH2-CG2 4.15Å; W189-I224 HydrophobicContact CZ2-CD1 4.23Å; W189-I224 HydrophobicContact CZ2-CG2 4.45Å; W189-I224 HydrophobicContact CZ3-CD1 3.08Å; W189-F225 AromaticContact CE2-CE2 3.88Å; W189-F225 AromaticContact CZ2-CE2 3.63Å; W189-F225 HydrophobicContact CZ2-CE2 3.63Å; W189-F225 AromaticContact CZ2-CZ 3.66Å; W189-F225 HydrophobicContact CZ2-CZ 3.66Å; W189-F225 AromaticContact NE1-CE2 3.88Å; W189-L402 HydrophobicContact CZ3-CG 4.25Å; W189-R403 HydrophobicContact CH2-CB 4.24Å; W189-R403 HydrophobicContact CH2-CG 4.25Å; W189-V406 HydrophobicContact CD2-CB 4.28Å; W189-V406 HydrophobicContact CD2-CG1 3.67Å; W189-V406 HydrophobicContact CD2-CG2 4.19Å; W189-V406 HydrophobicContact CE3-CB 4.14Å; W189-V406 HydrophobicContact CE3-CG1 4.03Å; W189-V406 HydrophobicContact CE3-CG2 3.71Å; W189-V406 HydrophobicContact CG-CG1 4.21Å; W189-V406 HydrophobicContact CH2-CB 3.77Å; W189-V406 HydrophobicContact CH2-CG1 3.97Å; W189-V406 HydrophobicContact CH2-CG2 4.08Å; W189-V406 HydrophobicContact CZ2-CB 3.88Å; W189-V406 HydrophobicContact CZ2-CG1 3.56Å; W189-V406 HydrophobicContact CZ2-CG2 4.49Å; W189-V406 HydrophobicContact CZ3-CB 3.86Å; W189-V406 HydrophobicContact CZ3-CG1 4.16Å; W189-V406 HydrophobicContact CZ3-CG2 3.62Å
190K95.1Very high92.5Very high49 Ų4952 Ų5221%0.21327%0.265CS..Hα-helixtrans-57.2-53.7175.8176173174.1167.70112.2D186 H187 I188 T193 I194 P212 V215 I220D186-K190 WeakPolarHBondContact O-CB 3.45Å; D186-K190 PolarHBondContact O-N 3.41Å; H187-K190 PolarHBondContact O-N 3.21Å; I188-K190 VanDerWaalsContact C-N 3.34Å; I188-K190 PolarHBondContact O-N 3.42Å; K190-T193 PolarHBondContact O-N 3.43Å; K190-I194 HydrophobicContact CG-CD1 3.86Å; K190-I194 WeakPolarHBondContact O-CB 3.31Å; K190-I194 VanDerWaalsContact O-CG1 3.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.23Å; K190-I194 PolarHBondContact O-N 2.87Å; K190-P212 WeakPolarHBondContact CE-O 3.46Å; K190-P212 PolarHBondContact NZ-O 3.09Å; K190-V215 HydrophobicContact CD-CB 4.44Å; K190-V215 HydrophobicContact CD-CG1 4.27Å; K190-V215 WeakPolarHBondContact CD-O 3.3Å; K190-V215 WeakPolarHBondContact CE-O 3.25Å; K190-V215 HydrophobicContact CG-CB 4.5Å; K190-V215 HydrophobicContact CG-CG1 3.95Å; K190-V215 PolarHBondContact NZ-O 2.9Å; K190-I220 HydrophobicContact CB-CD1 4.34Å
191S94.6Very high93.1Very high45 Ų4551.5 Ų51.532%0.31526%0.261SS..Hα-helixtrans-66-43.2-175.165.30000112.4H187 I188 T195H187-S191 WeakPolarHBondContact O-CB 3.15Å; H187-S191 PolarHBondContact O-N 3.35Å; H187-S191 PolarHBondContact O-OG 3.47Å; I188-S191 PolarHBondContact O-N 3.22Å; I188-S191 PolarHBondContact O-OG 3.05Å; I188-S191 VanDerWaalsContact O-OG 3.13Å; S191-T195 WeakPolarHBondContact O-CB 3.37Å; S191-T195 PolarHBondContact O-N 3.22Å; S191-T195 PolarHBondContact O-OG1 2.95Å
192M94.9Very high93.4Very high41 Ų4151.1 Ų51.120%0.20227%0.272CS..Hα-helixtrans-69.7-37.4179.4-66.9-1706800112.1I188 T195 H196 L402 Q405 V406 H409I188-M192 HydrophobicContact CG2-CG 4.29Å; I188-M192 HydrophobicContact CG2-SD 3.78Å; I188-M192 WeakPolarHBondContact O-CB 3.09Å; I188-M192 WeakPolarHBondContact O-CG 3.19Å; I188-M192 PolarHBondContact O-N 3.49Å; M192-T195 PolarHBondContact O-N 2.61Å; M192-H196 VanDerWaalsContact O-CB 3.24Å; M192-H196 WeakPolarHBondContact O-CB 3.25Å; M192-H196 PolarHBondContact O-N 3.44Å; M192-L402 HydrophobicContact CB-CD1 4.37Å; M192-Q405 HydrophobicContact CE-CB 3.78Å; M192-V406 HydrophobicContact CB-CG2 3.81Å; M192-V406 HydrophobicContact CE-CG2 3.89Å; M192-V406 HydrophobicContact CG-CG2 4.25Å; M192-V406 HydrophobicContact SD-CB 4.19Å; M192-V406 HydrophobicContact SD-CG2 3.58Å; M192-V406 VanDerWaalsContact SD-CG2 3.58Å; M192-H409 HydrophobicContact CE-CB 4.38Å; M192-H409 HydrophobicContact SD-CB 3.96Å
193T95.5Very high93.5Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-65.9-45.6176.5-54.70000111.2W189 K190 H196 L197 I220 V317 L321 L402W189-T193 WeakPolarHBondContact O-CB 3.45Å; W189-T193 PolarHBondContact O-N 3.15Å; W189-T193 PolarHBondContact O-OG1 2.8Å; K190-T193 PolarHBondContact O-N 3.43Å; T193-H196 PolarHBondContact O-N 3.02Å; T193-L197 WeakPolarHBondContact O-CB 3.2Å; T193-L197 PolarHBondContact O-N 3.45Å; T193-I220 HydrophobicContact CG2-CD1 4.44Å; T193-V317 HydrophobicContact CG2-CG1 3.76Å; T193-L321 HydrophobicContact CG2-CD2 3.73Å; T193-L402 HydrophobicContact CG2-CD2 4.13Å
194I94.7Very high93.5Very high23 Ų2351.1 Ų51.112%0.11826%0.263CS..Hα-helixtrans-62.4-45176.8-68.6171.9000110.8K190 H196 L197 Q198 L206 L210 P212 V215K190-I194 HydrophobicContact CG-CD1 3.86Å; K190-I194 WeakPolarHBondContact O-CB 3.31Å; K190-I194 VanDerWaalsContact O-CG1 3.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.23Å; K190-I194 PolarHBondContact O-N 2.87Å; I194-H196 VanDerWaalsContact C-N 3.27Å; I194-H196 PolarHBondContact O-N 3.5Å; I194-L197 PolarHBondContact O-N 3.02Å; I194-Q198 WeakPolarHBondContact O-CB 3.49Å; I194-Q198 PolarHBondContact O-N 2.99Å; I194-L206 HydrophobicContact CG2-CD1 3.65Å; I194-L210 HydrophobicContact CG1-CD2 4.13Å; I194-P212 HydrophobicContact CD1-CB 4.4Å; I194-V215 HydrophobicContact CD1-CB 4.33Å; I194-V215 HydrophobicContact CD1-CG1 4.29Å; I194-V215 HydrophobicContact CD1-CG2 4.28Å
195T94.1Very high93.6Very high74 Ų7450.7 Ų50.745%0.45427%0.268SS..Hα-helixtrans-61.8-38.9177.4-56.30000111.4S191 M192 R199S191-T195 WeakPolarHBondContact O-CB 3.37Å; S191-T195 PolarHBondContact O-N 3.22Å; S191-T195 PolarHBondContact O-OG1 2.95Å; M192-T195 PolarHBondContact O-N 2.61Å; T195-R199 PolarHBondContact O-N 2.95Å
196H94.6Very high93.6Very high2 Ų249.9 Ų49.91%0.00926%0.262CS..Hα-helixtrans-68.4-45.3177.2-170.3102000111.3M192 T193 I194 Q198 R199 V200 E313 V317 N399 L402M192-H196 VanDerWaalsContact O-CB 3.24Å; M192-H196 WeakPolarHBondContact O-CB 3.25Å; M192-H196 PolarHBondContact O-N 3.44Å; T193-H196 PolarHBondContact O-N 3.02Å; I194-H196 VanDerWaalsContact C-N 3.27Å; I194-H196 PolarHBondContact O-N 3.5Å; H196-Q198 VanDerWaalsContact C-N 3.33Å; H196-Q198 PolarHBondContact O-N 3.27Å; H196-R199 WeakPolarHBondContact O-CB 3.41Å; H196-R199 PolarHBondContact O-N 3.45Å; H196-R199 VanDerWaalsContact O-N 3.14Å; H196-V200 WeakPolarHBondContact O-CG2 3.47Å; H196-V200 PolarHBondContact O-N 2.87Å; H196-E313 IonicContact CE1-OE1 2.68Å; H196-E313 PolarHBondContact CE1-OE1 3.02Å; H196-E313 IonicContact NE2-OE1 3.13Å; H196-E313 PolarHBondContact NE2-OE1 2.99Å; H196-E313 VanDerWaalsContact NE2-OE1 3.11Å; H196-V317 WeakPolarHBondContact CD2-CG2 3.39Å; H196-N399 PolarHBondContact NE2-ND2 2.98Å; H196-L402 HydrophobicContact CB-CD1 4Å
197L94.9Very high93.4Very high0 Ų056 Ų560%030%0.295CS..Hα-helixtrans-56.3-47.7175.3-179.663.7000111.2T193 I194 R199 V200 L201 L210 V297 V317 L321T193-L197 WeakPolarHBondContact O-CB 3.2Å; T193-L197 PolarHBondContact O-N 3.45Å; I194-L197 PolarHBondContact O-N 3.02Å; L197-R199 VanDerWaalsContact C-N 3.28Å; L197-R199 PolarHBondContact O-N 3.06Å; L197-V200 PolarHBondContact O-N 2.84Å; L197-L201 HydrophobicContact CD1-CD1 3.98Å; L197-L201 HydrophobicContact CD1-CG 4.11Å; L197-L201 HydrophobicContact CG-CD1 3.95Å; L197-L201 HydrophobicContact CG-CG 4.41Å; L197-L201 WeakPolarHBondContact O-CB 3.14Å; L197-L201 WeakPolarHBondContact O-CG 3.3Å; L197-L201 PolarHBondContact O-N 3.36Å; L197-L210 HydrophobicContact CD2-CD2 4.07Å; L197-V297 HydrophobicContact CD1-CG1 4.23Å; L197-V297 HydrophobicContact CD2-CG1 3.82Å; L197-V317 HydrophobicContact CB-CG1 3.89Å; L197-V317 HydrophobicContact CD1-CG1 4.37Å; L197-L321 HydrophobicContact CD2-CD1 3.79Å
198Q95.1Very high93Very high59 Ų5953.4 Ų53.428%0.27630%0.301SS..Hα-helixtrans-55.9-44177.1-176.3-178.4-33.600112.1I194 H196 G202 L203 K204 L206I194-Q198 WeakPolarHBondContact O-CB 3.49Å; I194-Q198 PolarHBondContact O-N 2.99Å; H196-Q198 VanDerWaalsContact C-N 3.33Å; H196-Q198 PolarHBondContact O-N 3.27Å; Q198-G202 PolarHBondContact O-N 3.28Å; Q198-L203 HydrophobicContact CG-CB 4.47Å; Q198-L203 WeakPolarHBondContact CG-O 3.36Å; Q198-L203 PolarHBondContact NE2-O 3.48Å; Q198-L203 VanDerWaalsContact NE2-O 3.12Å; Q198-L203 PolarHBondContact O-N 3.04Å; Q198-L203 VanDerWaalsContact O-N 3.13Å; Q198-K204 PolarHBondContact NE2-O 3.31Å; Q198-L206 HydrophobicContact CB-CD1 3.82Å; Q198-L206 HydrophobicContact CB-CD2 4.25Å; Q198-L206 HydrophobicContact CB-CG 3.84Å; Q198-L206 HydrophobicContact CG-CD2 4.44Å; Q198-L206 HydrophobicContact CG-CG 4.04Å
199R94.3Very high92.9Very high141 Ų14154 Ų5453%0.53230%0.304SS..Hα-helixtrans-65.1-44.3178.9-173.9-170.5-62.5130.8-1.8111.8T195 H196 L197 G202T195-R199 PolarHBondContact O-N 2.95Å; H196-R199 WeakPolarHBondContact O-CB 3.41Å; H196-R199 PolarHBondContact O-N 3.45Å; H196-R199 VanDerWaalsContact O-N 3.14Å; L197-R199 VanDerWaalsContact C-N 3.28Å; L197-R199 PolarHBondContact O-N 3.06Å; R199-G202 PolarHBondContact O-N 3.49Å; R199-G202 VanDerWaalsContact O-N 3.12Å
200V94.4Very high92.7Very high16 Ų1654.3 Ų54.310%0.09731%0.306CS..Hα-helixtrans-67.6-38.3-178.5177.90000110.9H196 L197 G202 E313 A314H196-V200 WeakPolarHBondContact O-CG2 3.47Å; H196-V200 PolarHBondContact O-N 2.87Å; L197-V200 PolarHBondContact O-N 2.84Å; V200-G202 PolarHBondContact O-N 3.16Å; V200-E313 HydrophobicContact CG1-CB 4.25Å; V200-E313 HydrophobicContact CG1-CG 4.37Å; V200-E313 HydrophobicContact CG2-CG 3.94Å; V200-A314 HydrophobicContact CG1-CB 3.67Å
201L93.2Very high92.5Very high19 Ų1955.8 Ų55.810%0.09932%0.316CS..THydrogen-bonded Turntrans-70.9-11.1173.5-64.4178.5000113.4L197 L203 L206 I301 L304 A314L197-L201 HydrophobicContact CD1-CD1 3.98Å; L197-L201 HydrophobicContact CD1-CG 4.11Å; L197-L201 HydrophobicContact CG-CD1 3.95Å; L197-L201 HydrophobicContact CG-CG 4.41Å; L197-L201 WeakPolarHBondContact O-CB 3.14Å; L197-L201 WeakPolarHBondContact O-CG 3.3Å; L197-L201 PolarHBondContact O-N 3.36Å; L201-L203 HydrophobicContact CB-CD1 3.72Å; L201-L203 HydrophobicContact CB-CG 3.83Å; L201-L203 HydrophobicContact CD1-CD1 3.92Å; L201-L203 HydrophobicContact CG-CD1 4.47Å; L201-L203 PolarHBondContact O-N 3.44Å; L201-L206 HydrophobicContact CD1-CD2 4.09Å; L201-I301 HydrophobicContact CD2-CG1 3.75Å; L201-L304 HydrophobicContact CD2-CD1 3.85Å; L201-A314 HydrophobicContact CD2-CB 4.39Å
202G91.9Very high92.3Very high66 Ų6657.1 Ų57.168%0.6832%0.324SS*.THydrogen-bonded Turntrans69.120.8-178.600000114Q198 R199 V200Q198-G202 PolarHBondContact O-N 3.28Å; R199-G202 PolarHBondContact O-N 3.49Å; R199-G202 VanDerWaalsContact O-N 3.12Å; V200-G202 PolarHBondContact O-N 3.16Å
203L91.6Very high92Very high52 Ų5258.8 Ų58.827%0.27234%0.344SS..  trans-93.6143.5-173.5-62.6171.4000112Q198 L201 L206 I209Q198-L203 HydrophobicContact CG-CB 4.47Å; Q198-L203 WeakPolarHBondContact CG-O 3.36Å; Q198-L203 PolarHBondContact NE2-O 3.48Å; Q198-L203 VanDerWaalsContact NE2-O 3.12Å; Q198-L203 PolarHBondContact O-N 3.04Å; Q198-L203 VanDerWaalsContact O-N 3.13Å; L201-L203 HydrophobicContact CB-CD1 3.72Å; L201-L203 HydrophobicContact CB-CG 3.83Å; L201-L203 HydrophobicContact CD1-CD1 3.92Å; L201-L203 HydrophobicContact CG-CD1 4.47Å; L201-L203 PolarHBondContact O-N 3.44Å; L203-L206 HydrophobicContact CD1-CD2 3.88Å; L203-I209 HydrophobicContact CD1-CD1 3.41Å; L203-I209 VanDerWaalsContact CD1-CD1 3.41Å
204K89.6Confident91.6Very high198 Ų19863.9 Ų63.986%0.86137%0.368SS*.SBendtrans-72.7-32.1174.4-68.8-177.3-179.7175.70112.6Q198Q198-K204 PolarHBondContact NE2-O 3.31Å
205T91.2Very high91.5Very high91 Ų9163.1 Ų63.156%0.55836%0.364SS*.  trans-147.2151.9178.851.50000109D207T205-D207 VanDerWaalsContact C-N 3.35Å
206L90.9Very high91.4Very high15 Ų1562.9 Ų62.98%0.07936%0.36CS..  trans-97.312.4171.8-68.7175.7000112.5I194 Q198 L201 L203 I209 L210I194-L206 HydrophobicContact CG2-CD1 3.65Å; Q198-L206 HydrophobicContact CB-CD1 3.82Å; Q198-L206 HydrophobicContact CB-CD2 4.25Å; Q198-L206 HydrophobicContact CB-CG 3.84Å; Q198-L206 HydrophobicContact CG-CD2 4.44Å; Q198-L206 HydrophobicContact CG-CG 4.04Å; L201-L206 HydrophobicContact CD1-CD2 4.09Å; L203-L206 HydrophobicContact CD1-CD2 3.88Å; L206-I209 PolarHBondContact O-N 2.95Å; L206-L210 HydrophobicContact CB-CB 4.33Å; L206-L210 HydrophobicContact CD1-CD2 4.24Å; L206-L210 PolarHBondContact O-N 3.49Å
207D88.3Confident91.4Very high147 Ų14763.1 Ų63.179%0.78636%0.363SS*.THydrogen-bonded Turntrans-61.9136.1177.9-165.620.4000110.6T205 I209T205-D207 VanDerWaalsContact C-N 3.35Å; D207-I209 PolarHBondContact O-N 2.83Å
208G85.8Confident91.3Very high67 Ų6768.6 Ų68.669%0.69139%0.387SS*.THydrogen-bonded Turntrans73.5-12.8-170.500000116.1
209I90.3Very high91.3Very high27 Ų2767.8 Ų67.814%0.13838%0.384CS..THydrogen-bonded Turntrans-105.7-44-177.8-63.5167.9000111.7L203 L206 D207 E296 V297L203-I209 HydrophobicContact CD1-CD1 3.41Å; L203-I209 VanDerWaalsContact CD1-CD1 3.41Å; L206-I209 PolarHBondContact O-N 2.95Å; D207-I209 PolarHBondContact O-N 2.83Å; I209-E296 HydrophobicContact CG2-CB 4.27Å; I209-V297 HydrophobicContact CG2-CG2 3.94Å
210L92.8Very high91.4Very high8 Ų861 Ų614%0.04236%0.359CS..  trans-137.1117.3179.2179.866.1000109.6I194 L197 L206 P212 V215 L294 V297 L321I194-L210 HydrophobicContact CG1-CD2 4.13Å; L197-L210 HydrophobicContact CD2-CD2 4.07Å; L206-L210 HydrophobicContact CB-CB 4.33Å; L206-L210 HydrophobicContact CD1-CD2 4.24Å; L206-L210 PolarHBondContact O-N 3.49Å; L210-P212 VanDerWaalsContact O-CD 3.26Å; L210-P212 WeakPolarHBondContact O-CD 3.41Å; L210-V215 HydrophobicContact CD1-CG2 3.84Å; L210-V215 HydrophobicContact CD2-CG2 4.1Å; L210-V215 HydrophobicContact CG-CG2 4.15Å; L210-L294 HydrophobicContact CD1-CD2 3.36Å; L210-V297 HydrophobicContact CB-CG2 4Å; L210-V297 HydrophobicContact CD1-CG2 4.1Å; L210-L321 HydrophobicContact CD2-CD1 4.03Å
211N90.7Very high91.4Very high81 Ų8161.7 Ų61.743%0.43336%0.363SS..  trans-79.8115170.5-174.3-15.7000109.9A213 H214N211-A213 PolarHBondContact O-N 2.85Å; N211-A213 VanDerWaalsContact O-N 3.08Å; N211-A213 VanDerWaalsContact OD1-CB 3.26Å; N211-A213 WeakPolarHBondContact OD1-CB 3.28Å; N211-A213 PolarHBondContact OD1-N 3.26Å; N211-H214 PolarHBondContact O-N 3.47Å
212P88.9Confident91.4Very high72 Ų7262.4 Ų62.447%0.46837%0.368SS..G310 helixtrans-61.5-20.8-179.6-21.634.3000113.4K190 I194 L210 H214 V215K190-P212 WeakPolarHBondContact CE-O 3.46Å; K190-P212 PolarHBondContact NZ-O 3.09Å; I194-P212 HydrophobicContact CD1-CB 4.4Å; L210-P212 VanDerWaalsContact O-CD 3.26Å; L210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-H214 VanDerWaalsContact C-N 3.31Å; P212-H214 PolarHBondContact O-N 2.86Å; P212-V215 PolarHBondContact O-N 3.25Å
213A88.9Confident91.5Very high77 Ų7759.2 Ų59.264%0.63634%0.335SS*.G310 helixtrans-65.1-33.9178.500000112.8N211 V215N211-A213 PolarHBondContact O-N 2.85Å; N211-A213 VanDerWaalsContact O-N 3.08Å; N211-A213 VanDerWaalsContact OD1-CB 3.26Å; N211-A213 WeakPolarHBondContact OD1-CB 3.28Å; N211-A213 PolarHBondContact OD1-N 3.26Å; A213-V215 VanDerWaalsContact C-N 3.32Å
214H87.6Confident91.6Very high107 Ų10756.9 Ų56.950%0.49532%0.323SS..G310 helixtrans-82.4-9.8-178.4-57148.3000113.4N211 P212 H293N211-H214 PolarHBondContact O-N 3.47Å; P212-H214 VanDerWaalsContact C-N 3.31Å; P212-H214 PolarHBondContact O-N 2.86Å; H214-H293 HydrophobicContact CB-CB 4.47Å; H214-H293 AromaticContact CE1-ND1 3.91Å; H214-H293 AromaticContact ND1-CG 3.92Å; H214-H293 AromaticContact ND1-ND1 3.65Å
215V92.3Very high91.7Very high6 Ų652.1 Ų52.14%0.03630%0.302CS..  trans-84.9122.3178.8-179.60000110.6K190 I194 L210 P212 A213 I220 L321K190-V215 HydrophobicContact CD-CB 4.44Å; K190-V215 HydrophobicContact CD-CG1 4.27Å; K190-V215 WeakPolarHBondContact CD-O 3.3Å; K190-V215 WeakPolarHBondContact CE-O 3.25Å; K190-V215 HydrophobicContact CG-CB 4.5Å; K190-V215 HydrophobicContact CG-CG1 3.95Å; K190-V215 PolarHBondContact NZ-O 2.9Å; I194-V215 HydrophobicContact CD1-CB 4.33Å; I194-V215 HydrophobicContact CD1-CG1 4.29Å; I194-V215 HydrophobicContact CD1-CG2 4.28Å; L210-V215 HydrophobicContact CD1-CG2 3.84Å; L210-V215 HydrophobicContact CD2-CG2 4.1Å; L210-V215 HydrophobicContact CG-CG2 4.15Å; P212-V215 PolarHBondContact O-N 3.25Å; A213-V215 VanDerWaalsContact C-N 3.32Å; V215-I220 HydrophobicContact CG1-CD1 3.93Å; V215-L321 HydrophobicContact CG1-CD2 3.88Å
216N93.3Very high91.8Very high70 Ų7050 Ų5037%0.37429%0.288SS..  trans-99.5119.2176.7-176.61.5000111.3K218 D219 I220N216-K218 VanDerWaalsContact C-N 3.28Å; N216-K218 PolarHBondContact O-N 3.37Å; N216-K218 WeakPolarHBondContact OD1-CB 3.49Å; N216-K218 PolarHBondContact OD1-N 3.18Å; N216-D219 HydrophobicContact CB-CB 4.23Å; N216-D219 VanDerWaalsContact CB-OD2 3.26Å; N216-D219 WeakPolarHBondContact CB-OD2 3.19Å; N216-D219 VanDerWaalsContact ND2-CG 3.26Å; N216-D219 PolarHBondContact ND2-OD1 3.43Å; N216-D219 PolarHBondContact ND2-OD2 2.98Å; N216-D219 PolarHBondContact O-N 3.23Å; N216-I220 PolarHBondContact O-N 3.03Å
217G93.2Very high91.8Very high6 Ų651.5 Ų51.56%0.06230%0.297CS..Hα-helixtrans-64.1-30.7179.400000113.8D186 I220 V221D186-G217 WeakPolarHBondContact O-CA 3.3Å; G217-I220 PolarHBondContact O-N 2.78Å; G217-V221 WeakPolarHBondContact O-CG2 3.38Å; G217-V221 PolarHBondContact O-N 3.4Å
218K93.9Very high91.9Very high115 Ų11547.3 Ų47.350%0.528%0.275SS..Hα-helixtrans-65.6-41.5178-68.9-178.5175.7-172.20112D186 N216 I220 V221 V222D186-K218 HydrophobicContact CB-CG 4.35Å; D186-K218 WeakPolarHBondContact OD2-CE 3.28Å; D186-K218 WeakPolarHBondContact OD2-CG 3.17Å; N216-K218 VanDerWaalsContact C-N 3.28Å; N216-K218 PolarHBondContact O-N 3.37Å; N216-K218 WeakPolarHBondContact OD1-CB 3.49Å; N216-K218 PolarHBondContact OD1-N 3.18Å; K218-I220 VanDerWaalsContact C-N 3.29Å; K218-I220 PolarHBondContact O-N 3.32Å; K218-V221 WeakPolarHBondContact O-CB 3.46Å; K218-V221 PolarHBondContact O-N 3.1Å; K218-V221 VanDerWaalsContact O-N 3.15Å; K218-V222 WeakPolarHBondContact O-CG2 3.48Å; K218-V222 PolarHBondContact O-N 3.12Å
219D95Very high91.9Very high42 Ų4254.7 Ų54.723%0.22529%0.288CS..Hα-helixtrans-63.6-39.2-179.5-65.7-17000110.8N216 V221 V222 N223 P324N216-D219 HydrophobicContact CB-CB 4.23Å; N216-D219 VanDerWaalsContact CB-OD2 3.26Å; N216-D219 WeakPolarHBondContact CB-OD2 3.19Å; N216-D219 VanDerWaalsContact ND2-CG 3.26Å; N216-D219 PolarHBondContact ND2-OD1 3.43Å; N216-D219 PolarHBondContact ND2-OD2 2.98Å; N216-D219 PolarHBondContact O-N 3.23Å; D219-V221 PolarHBondContact O-N 3.4Å; D219-V222 PolarHBondContact O-N 3.39Å; D219-N223 VanDerWaalsContact O-CB 3.3Å; D219-N223 WeakPolarHBondContact O-CB 3.38Å; D219-N223 PolarHBondContact O-N 3.23Å; D219-N223 PolarHBondContact O-ND2 3.35Å; D219-P324 HydrophobicContact CB-CG 4.17Å
220I95.1Very high91.7Very high0 Ų057.3 Ų57.30%031%0.305CS..Hα-helixtrans-59.6-47.7173.3-61.5169.5000110.6W189 K190 T193 V215 N216 G217 K218 V222 N223 I224 L320 L321W189-I220 HydrophobicContact CB-CG2 4.12Å; W189-I220 HydrophobicContact CE3-CG2 4.28Å; K190-I220 HydrophobicContact CB-CD1 4.34Å; T193-I220 HydrophobicContact CG2-CD1 4.44Å; V215-I220 HydrophobicContact CG1-CD1 3.93Å; N216-I220 PolarHBondContact O-N 3.03Å; G217-I220 PolarHBondContact O-N 2.78Å; K218-I220 VanDerWaalsContact C-N 3.29Å; K218-I220 PolarHBondContact O-N 3.32Å; I220-V222 PolarHBondContact O-N 3.12Å; I220-N223 PolarHBondContact O-N 3.21Å; I220-I224 HydrophobicContact CG2-CD1 3.84Å; I220-I224 VanDerWaalsContact O-CG1 3.28Å; I220-I224 WeakPolarHBondContact O-CG1 3.48Å; I220-I224 PolarHBondContact O-N 2.97Å; I220-L320 WeakPolarHBondContact CG1-O 3.49Å; I220-L320 HydrophobicContact CG2-CB 4.41Å; I220-L321 HydrophobicContact CD1-CD2 3.81Å; I220-L321 HydrophobicContact CG1-CD2 4.24Å
221V94.4Very high91.4Very high30 Ų3057.7 Ų57.718%0.18231%0.311CS..Hα-helixtrans-60-46.8178.8174.10000110.7W189 G217 K218 D219 N223 I224 F225W189-V221 HydrophobicContact CB-CG2 4.14Å; W189-V221 VanDerWaalsContact CD1-CG2 3.43Å; W189-V221 HydrophobicContact CG-CG2 3.84Å; G217-V221 WeakPolarHBondContact O-CG2 3.38Å; G217-V221 PolarHBondContact O-N 3.4Å; K218-V221 WeakPolarHBondContact O-CB 3.46Å; K218-V221 PolarHBondContact O-N 3.1Å; K218-V221 VanDerWaalsContact O-N 3.15Å; D219-V221 PolarHBondContact O-N 3.4Å; V221-N223 PolarHBondContact O-N 3.32Å; V221-I224 PolarHBondContact O-N 3.14Å; V221-I224 VanDerWaalsContact O-N 3.15Å; V221-F225 HydrophobicContact CG1-CD2 3.78Å; V221-F225 HydrophobicContact CG1-CE2 4.28Å; V221-F225 WeakPolarHBondContact O-CD2 3.38Å; V221-F225 PolarHBondContact O-N 3.32Å
222V93.8Very high91.4Very high33 Ų3354.7 Ų54.720%0.230%0.295CS..Hα-helixtrans-60-46.1176.9173.10000110.8K218 D219 I220 I224 F225 N226 P324K218-V222 WeakPolarHBondContact O-CG2 3.48Å; K218-V222 PolarHBondContact O-N 3.12Å; D219-V222 PolarHBondContact O-N 3.39Å; I220-V222 PolarHBondContact O-N 3.12Å; V222-I224 PolarHBondContact O-N 3.09Å; V222-F225 PolarHBondContact O-N 3.34Å; V222-N226 HydrophobicContact CG1-CB 4.02Å; V222-N226 WeakPolarHBondContact O-CA 3.09Å; V222-N226 VanDerWaalsContact O-CB 3.3Å; V222-N226 WeakPolarHBondContact O-CB 3.43Å; V222-N226 PolarHBondContact O-N 3.06Å; V222-P324 HydrophobicContact CB-CG 4.12Å; V222-P324 HydrophobicContact CG1-CB 3.98Å; V222-P324 HydrophobicContact CG1-CG 3.86Å
223N94.3Very high91.6Very high0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-61.2-26.9178.3-76.3-28.7000113.1D219 I220 V221 V227 L320 L322 P324 R327D219-N223 VanDerWaalsContact O-CB 3.3Å; D219-N223 WeakPolarHBondContact O-CB 3.38Å; D219-N223 PolarHBondContact O-N 3.23Å; D219-N223 PolarHBondContact O-ND2 3.35Å; I220-N223 PolarHBondContact O-N 3.21Å; V221-N223 PolarHBondContact O-N 3.32Å; N223-V227 VanDerWaalsContact O-CG1 3.29Å; N223-V227 WeakPolarHBondContact O-CG1 3.48Å; N223-L320 HydrophobicContact CB-CD2 3.98Å; N223-L320 PolarHBondContact ND2-O 2.94Å; N223-L322 PolarHBondContact ND2-O 3.42Å; N223-P324 WeakPolarHBondContact OD1-CA 3.39Å; N223-R327 VanDerWaalsContact CG-CD 3.42Å; N223-R327 PolarHBondContact O-NH1 3.15Å; N223-R327 VanDerWaalsContact OD1-CD 3.31Å; N223-R327 WeakPolarHBondContact OD1-CD 3.46Å
224I92.5Very high91.8Very high3 Ų350.3 Ų50.32%0.01526%0.259CS..Hα-helixtrans-88.2-46.4-179.7-69.7175.8000112.1W189 I220 V221 V222 L320 V398W189-I224 HydrophobicContact CD2-CD1 4.05Å; W189-I224 HydrophobicContact CE3-CD1 3.35Å; W189-I224 HydrophobicContact CH2-CD1 3.55Å; W189-I224 HydrophobicContact CH2-CG2 4.15Å; W189-I224 HydrophobicContact CZ2-CD1 4.23Å; W189-I224 HydrophobicContact CZ2-CG2 4.45Å; W189-I224 HydrophobicContact CZ3-CD1 3.08Å; I220-I224 HydrophobicContact CG2-CD1 3.84Å; I220-I224 VanDerWaalsContact O-CG1 3.28Å; I220-I224 WeakPolarHBondContact O-CG1 3.48Å; I220-I224 PolarHBondContact O-N 2.97Å; V221-I224 PolarHBondContact O-N 3.14Å; V221-I224 VanDerWaalsContact O-N 3.15Å; V222-I224 PolarHBondContact O-N 3.09Å; I224-L320 HydrophobicContact CD1-CD1 4.06Å; I224-L320 HydrophobicContact CG1-CD1 4.13Å; I224-L320 HydrophobicContact CG1-CD2 3.75Å; I224-V398 HydrophobicContact CG1-CG1 4.26Å; I224-V398 HydrophobicContact CG2-CG1 4.11Å
225F91.9Very high92Very high97 Ų9746.2 Ų46.243%0.42524%0.24SC..Hα-helixtrans-98.9-28.5-168.6-66.6-73.9000113.5W189 V221 V222 V227W189-F225 AromaticContact CE2-CE2 3.88Å; W189-F225 AromaticContact CZ2-CE2 3.63Å; W189-F225 HydrophobicContact CZ2-CE2 3.63Å; W189-F225 AromaticContact CZ2-CZ 3.66Å; W189-F225 HydrophobicContact CZ2-CZ 3.66Å; W189-F225 AromaticContact NE1-CE2 3.88Å; V221-F225 HydrophobicContact CG1-CD2 3.78Å; V221-F225 HydrophobicContact CG1-CE2 4.28Å; V221-F225 WeakPolarHBondContact O-CD2 3.38Å; V221-F225 PolarHBondContact O-N 3.32Å; V222-F225 PolarHBondContact O-N 3.34Å; F225-V227 PolarHBondContact O-N 3.48Å
226N93.3Very high91.7Very high47 Ų4753.7 Ų53.725%0.25128%0.275SS..SBendtrans-96.563.8-178.1-157.52.1000111.1V222 V234V222-N226 HydrophobicContact CG1-CB 4.02Å; V222-N226 WeakPolarHBondContact O-CA 3.09Å; V222-N226 VanDerWaalsContact O-CB 3.3Å; V222-N226 WeakPolarHBondContact O-CB 3.43Å; V222-N226 PolarHBondContact O-N 3.06Å; N226-V234 VanDerWaalsContact CG-O 3.24Å; N226-V234 PolarHBondContact ND2-O 2.91Å; N226-V234 PolarHBondContact O-N 2.86Å
227V92.1Very high91.5Very high46 Ų4654 Ų5428%0.27928%0.277SS..BIsolated β-bridgetrans-124.2146.8-179.9-64.10000111.4N223 F225 I232 V233N223-V227 VanDerWaalsContact O-CG1 3.29Å; N223-V227 WeakPolarHBondContact O-CG1 3.48Å; F225-V227 PolarHBondContact O-N 3.48Å; V227-I232 CarbonylContact C-O 3.59Å; V227-I232 WeakPolarHBondContact CA-O 3.37Å; V227-V233 HydrophobicContact CG1-CG2 4.35Å
228N90Very high91.2Very high60 Ų6062.5 Ų62.532%0.32131%0.312SS..  trans-75.4175.9174.7769.6000111.6T230 G231 I232 V234N228-T230 PolarHBondContact ND2-OG1 3.22Å; N228-T230 PolarHBondContact O-N 3.13Å; N228-T230 VanDerWaalsContact OD1-C 3.31Å; N228-T230 VanDerWaalsContact OD1-CA 3.31Å; N228-T230 WeakPolarHBondContact OD1-CA 3.24Å; N228-T230 WeakPolarHBondContact OD1-CB 3.33Å; N228-T230 PolarHBondContact OD1-N 3.04Å; N228-T230 PolarHBondContact OD1-OG1 3.28Å; N228-G231 PolarHBondContact O-N 3.45Å; N228-G231 PolarHBondContact OD1-N 2.89Å; N228-I232 PolarHBondContact N-O 3.06Å; N228-I232 PolarHBondContact OD1-N 3.29Å; N228-V234 HydrophobicContact CB-CG2 4.06Å
229K86.2Confident90.9Very high222 Ų22261.2 Ų61.297%0.96532%0.323SS*.THydrogen-bonded Turntrans-56.5-22.9178-63.7-176.8-179.2179.80114.3
230T84.9Confident90.6Very high82 Ų8263.7 Ų63.750%0.50333%0.333SS..THydrogen-bonded Turntrans-94.94178.471.70000112.8N228 R335N228-T230 PolarHBondContact ND2-OG1 3.22Å; N228-T230 PolarHBondContact O-N 3.13Å; N228-T230 VanDerWaalsContact OD1-C 3.31Å; N228-T230 VanDerWaalsContact OD1-CA 3.31Å; N228-T230 WeakPolarHBondContact OD1-CA 3.24Å; N228-T230 WeakPolarHBondContact OD1-CB 3.33Å; N228-T230 PolarHBondContact OD1-N 3.04Å; N228-T230 PolarHBondContact OD1-OG1 3.28Å; T230-R335 PolarHBondContact O-NH2 2.87Å; T230-R335 PolarHBondContact OG1-NH1 3.05Å
231G86.3Confident90.3Very high16 Ų1665.5 Ų65.517%0.16534%0.343CS..SBendtrans79.510.5-178.100000115.6N228 Q331N228-G231 PolarHBondContact O-N 3.45Å; N228-G231 PolarHBondContact OD1-N 2.89Å; G231-Q331 PolarHBondContact O-NE2 2.66Å
232I91.6Very high90.2Very high17 Ų1764.5 Ų64.59%0.08734%0.336CS..PPolyproline II helixtrans-80.4133.2174.3-55.6167.2000109.1V227 N228 V234 R328 L332V227-I232 CarbonylContact C-O 3.59Å; V227-I232 WeakPolarHBondContact CA-O 3.37Å; N228-I232 PolarHBondContact N-O 3.06Å; N228-I232 PolarHBondContact OD1-N 3.29Å; I232-V234 PolarHBondContact O-N 3.33Å; I232-R328 HydrophobicContact CG2-CG 4.19Å; I232-L332 HydrophobicContact CD1-CD2 3.81Å; I232-L332 HydrophobicContact CG2-CD2 4.42Å; I232-L332 HydrophobicContact CG2-CG 4.47Å
233V93.8Very high90.3Very high0 Ų065.3 Ų65.30%034%0.342CS..BIsolated β-bridgetrans-57.8132.4173178.10000111.2V227 L235 P324 R327 R328V227-V233 HydrophobicContact CG1-CG2 4.35Å; V233-L235 HydrophobicContact CG1-CD2 4.06Å; V233-P324 HydrophobicContact CG1-CB 4.05Å; V233-R327 HydrophobicContact CG2-CB 4.4Å; V233-R327 HydrophobicContact CG2-CG 4.1Å; V233-R328 HydrophobicContact CB-CB 4.17Å; V233-R328 WeakPolarHBondContact O-CD 3.43Å; V233-R328 PolarHBondContact O-NH1 3.2Å
234V92.9Very high90.2Very high58 Ų5874.3 Ų74.335%0.35238%0.377SS..PPolyproline II helixtrans-101.7122.1171.6-179.30000107.5N226 N228 I232N226-V234 VanDerWaalsContact CG-O 3.24Å; N226-V234 PolarHBondContact ND2-O 2.91Å; N226-V234 PolarHBondContact O-N 2.86Å; N228-V234 HydrophobicContact CB-CG2 4.06Å; I232-V234 PolarHBondContact O-N 3.33Å
235L92.1Very high90.2Very high20 Ų2080.3 Ų80.311%0.10540%0.4CS..PPolyproline II helixtrans-83.4137.6178.3-58.1177.3000110.1V233 D241 P324 P325V233-L235 HydrophobicContact CG1-CD2 4.06Å; L235-D241 HydrophobicContact CD1-CB 3.83Å; L235-P324 HydrophobicContact CD2-CB 3.71Å; L235-P325 HydrophobicContact CD1-CB 4.22Å; L235-P325 HydrophobicContact CD1-CG 4.33Å; L235-P325 HydrophobicContact CD2-CG 4.14Å
236E86Confident90.4Very high163 Ų16375.7 Ų75.776%0.76238%0.379SS*.SBendtrans-70.6-43.9173.2-62.4-176.7172.800110.6
237N89.3Confident90.4Very high77 Ų7774.8 Ų74.841%0.41238%0.376SS..  trans-91.9110176.1-173.54.2000111.2A239 E240N237-A239 PolarHBondContact O-N 3.27Å; N237-A239 WeakPolarHBondContact OD1-CB 3.35Å; N237-A239 PolarHBondContact OD1-N 2.99Å; N237-E240 HydrophobicContact CB-CG 4.42Å; N237-E240 PolarHBondContact ND2-OE1 3.24Å; N237-E240 PolarHBondContact O-N 3.4Å
238K85.9Confident90.4Very high184 Ų18474.3 Ų74.380%0.837%0.374SS*.G310 helixtrans-67-20.8178-67.3-174.2179.8178.10113.7E240 D241K238-E240 PolarHBondContact O-N 3.43Å; K238-D241 WeakPolarHBondContact O-CB 3.36Å; K238-D241 PolarHBondContact O-N 3.3Å
239A87.8Confident90.6Very high88 Ų8872.2 Ų72.273%0.72737%0.365SS*.G310 helixtrans-70.4-23.1179.100000112.9N237N237-A239 PolarHBondContact O-N 3.27Å; N237-A239 WeakPolarHBondContact OD1-CB 3.35Å; N237-A239 PolarHBondContact OD1-N 2.99Å
240E87.8Confident91Very high94 Ų9462.2 Ų62.244%0.43932%0.322SS..G310 helixtrans-86.2-11.9176.6-69.1167.7-146.500112.6N237 K238 P325 R329N237-E240 HydrophobicContact CB-CG 4.42Å; N237-E240 PolarHBondContact ND2-OE1 3.24Å; N237-E240 PolarHBondContact O-N 3.4Å; K238-E240 PolarHBondContact O-N 3.43Å; E240-P325 HydrophobicContact CB-CB 4.46Å; E240-P325 HydrophobicContact CB-CG 3.94Å; E240-R329 PolarHBondContact O-NH2 2.89Å
241D90.2Very high91.4Very high39 Ų3963.8 Ų63.821%0.20932%0.322CS..SBendtrans-71.8165.8176.1-154.10.1000111.4L235 K238 R328L235-D241 HydrophobicContact CD1-CB 3.83Å; K238-D241 WeakPolarHBondContact O-CB 3.36Å; K238-D241 PolarHBondContact O-N 3.3Å; D241-R328 WeakPolarHBondContact OD1-CD 3.47Å; D241-R328 IonicContact OD1-CZ 3.92Å; D241-R328 IonicContact OD1-NE 3.39Å; D241-R328 PolarHBondContact OD1-NE 2.88Å; D241-R328 IonicContact OD1-NH2 2.71Å; D241-R328 IonicContact OD2-CZ 2.78Å; D241-R328 VanDerWaalsContact OD2-CZ 3.3Å; D241-R328 IonicContact OD2-NE 3.53Å; D241-R328 PolarHBondContact OD2-NE 3Å; D241-R328 IonicContact OD2-NH2 3.35Å; D241-R328 PolarHBondContact OD2-NH2 3.47Å
242M92.5Very high91.6Very high9 Ų963.7 Ų63.74%0.04432%0.319CS..PPolyproline II helixtrans-62.7145173.9-64.3-172.2-70.800110.8Y244 V246 V247 M250 Y281 Y282 R329 L332M242-Y244 PolarHBondContact O-N 3.26Å; M242-V246 HydrophobicContact CB-CB 4.4Å; M242-V246 HydrophobicContact SD-CG1 4.13Å; M242-V247 HydrophobicContact CB-CG2 4.02Å; M242-V247 HydrophobicContact CE-CG2 4.16Å; M242-M250 HydrophobicContact CE-SD 3.97Å; M242-M250 HydrophobicContact SD-SD 4.36Å; M242-Y281 HydrophobicContact CG-CE1 4.15Å; M242-Y281 HydrophobicContact SD-CE1 3.98Å; M242-Y282 PolarHBondContact SD-OH 3.41Å; M242-Y282 VanDerWaalsContact SD-OH 3.37Å; M242-R329 HydrophobicContact CG-CG 3.61Å; M242-R329 HydrophobicContact SD-CB 4.35Å; M242-R329 HydrophobicContact SD-CG 3.78Å; M242-L332 HydrophobicContact CE-CB 4.02Å; M242-L332 HydrophobicContact CE-CD1 3.29Å; M242-L332 HydrophobicContact CE-CG 4.28Å
243P94.8Very high91.6Very high49 Ų4962.9 Ų62.932%0.31832%0.315SS..PPolyproline II helixtrans-52.2141.3172.1-25.433.3000111.4W245 V246 V247 Y281P243-W245 VanDerWaalsContact CB-CD1 3.43Å; P243-W245 HydrophobicContact CB-CD2 4.44Å; P243-W245 HydrophobicContact CB-CG 4.18Å; P243-W245 PolarHBondContact O-N 2.95Å; P243-W245 VanDerWaalsContact O-N 3.1Å; P243-V246 HydrophobicContact CB-CG2 4.15Å; P243-V246 HydrophobicContact CG-CG2 4.23Å; P243-V246 WeakPolarHBondContact O-CB 3.49Å; P243-V246 PolarHBondContact O-N 3.15Å; P243-V247 PolarHBondContact O-N 2.92Å; P243-Y281 HydrophobicContact CG-CE2 4.09Å
244Y91.8Very high91.5Very high190 Ų19063.8 Ų63.875%0.74532%0.322SS*.Hα-helixtrans-52.4-38.6-177.9173.6-99.3000112.7M242 V246 V247 S248M242-Y244 PolarHBondContact O-N 3.26Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.28Å; Y244-V247 PolarHBondContact O-N 3.02Å; Y244-S248 WeakPolarHBondContact CE1-OG 3.36Å; Y244-S248 VanDerWaalsContact CZ-OG 3.28Å; Y244-S248 WeakPolarHBondContact O-CB 3.32Å; Y244-S248 PolarHBondContact O-N 3.5Å; Y244-S248 PolarHBondContact O-OG 3.01Å; Y244-S248 VanDerWaalsContact O-OG 3.13Å
245W93.8Very high91.3Very high128 Ų12864.6 Ų64.649%0.48533%0.325SS..Hα-helixtrans-61.6-36.5179.167.1-103.2000112.7P243 S248 A249 T277 Y281P243-W245 VanDerWaalsContact CB-CD1 3.43Å; P243-W245 HydrophobicContact CB-CD2 4.44Å; P243-W245 HydrophobicContact CB-CG 4.18Å; P243-W245 PolarHBondContact O-N 2.95Å; P243-W245 VanDerWaalsContact O-N 3.1Å; W245-S248 PolarHBondContact O-N 3.2Å; W245-A249 WeakPolarHBondContact O-CB 3.36Å; W245-A249 PolarHBondContact O-N 3.04Å; W245-T277 HydrophobicContact CE3-CG2 4.31Å; W245-T277 HydrophobicContact CH2-CG2 4.42Å; W245-T277 HydrophobicContact CZ3-CG2 3.7Å; W245-Y281 HydrophobicContact CH2-CD2 4.12Å; W245-Y281 HydrophobicContact CH2-CG 4.26Å; W245-Y281 HydrophobicContact CZ2-CD2 4.07Å
246V96.1Very high91.1Very high0 Ų065.2 Ų65.20%033%0.325CS..Hα-helixtrans-65.2-51176.9-178.50000108.8M242 P243 Y244 S248 A249 M250 Y281M242-V246 HydrophobicContact CB-CB 4.4Å; M242-V246 HydrophobicContact SD-CG1 4.13Å; P243-V246 HydrophobicContact CB-CG2 4.15Å; P243-V246 HydrophobicContact CG-CG2 4.23Å; P243-V246 WeakPolarHBondContact O-CB 3.49Å; P243-V246 PolarHBondContact O-N 3.15Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.28Å; V246-S248 VanDerWaalsContact C-N 3.26Å; V246-S248 PolarHBondContact O-N 3.48Å; V246-A249 WeakPolarHBondContact O-CB 3.47Å; V246-A249 PolarHBondContact O-N 3.46Å; V246-A249 VanDerWaalsContact O-N 3.14Å; V246-M250 HydrophobicContact CG1-CG 4.28Å; V246-M250 HydrophobicContact CG1-SD 4.04Å; V246-M250 VanDerWaalsContact O-CG 3.25Å; V246-M250 WeakPolarHBondContact O-CG 3.36Å; V246-M250 PolarHBondContact O-N 3.49Å; V246-Y281 HydrophobicContact CG1-CD1 3.81Å; V246-Y281 HydrophobicContact CG1-CE1 4.14Å; V246-Y281 HydrophobicContact CG1-CG 4.21Å; V246-Y281 HydrophobicContact CG2-CD1 4Å; V246-Y281 HydrophobicContact CG2-CD2 3.61Å; V246-Y281 HydrophobicContact CG2-CE1 4.31Å; V246-Y281 HydrophobicContact CG2-CE2 3.94Å; V246-Y281 HydrophobicContact CG2-CG 3.64Å
247V93.6Very high90.8Very high28 Ų2860.1 Ų60.117%0.1731%0.307CS..Hα-helixtrans-59.5-40-179.3179.80000111.1M242 P243 Y244 K251M242-V247 HydrophobicContact CB-CG2 4.02Å; M242-V247 HydrophobicContact CE-CG2 4.16Å; P243-V247 PolarHBondContact O-N 2.92Å; Y244-V247 PolarHBondContact O-N 3.02Å; V247-K251 HydrophobicContact CG1-CD 4.34Å; V247-K251 WeakPolarHBondContact O-CB 3.27Å; V247-K251 VanDerWaalsContact O-CG 3.28Å; V247-K251 WeakPolarHBondContact O-CG 3.42Å; V247-K251 PolarHBondContact O-N 3.01Å
248S91.9Very high90Very high36 Ų3663.4 Ų63.425%0.25232%0.32SS..Hα-helixtrans-67.3-42.1176.4-65.60000112.4Y244 W245 V246 K251 C252Y244-S248 WeakPolarHBondContact CE1-OG 3.36Å; Y244-S248 VanDerWaalsContact CZ-OG 3.28Å; Y244-S248 WeakPolarHBondContact O-CB 3.32Å; Y244-S248 PolarHBondContact O-N 3.5Å; Y244-S248 PolarHBondContact O-OG 3.01Å; Y244-S248 VanDerWaalsContact O-OG 3.13Å; W245-S248 PolarHBondContact O-N 3.2Å; V246-S248 VanDerWaalsContact C-N 3.26Å; V246-S248 PolarHBondContact O-N 3.48Å; S248-K251 PolarHBondContact O-N 2.94Å; S248-C252 WeakPolarHBondContact O-CB 3.5Å; S248-C252 PolarHBondContact O-N 3.48Å
249A93.5Very high88.7Confident16 Ų1655.9 Ų55.913%0.13229%0.294CS..Hα-helixtrans-61.1-44.9173.900000111.9W245 V246 K251 C252 L253 V274 V278W245-A249 WeakPolarHBondContact O-CB 3.36Å; W245-A249 PolarHBondContact O-N 3.04Å; V246-A249 WeakPolarHBondContact O-CB 3.47Å; V246-A249 PolarHBondContact O-N 3.46Å; V246-A249 VanDerWaalsContact O-N 3.14Å; A249-K251 PolarHBondContact O-N 3.5Å; A249-C252 WeakPolarHBondContact O-CB 3.23Å; A249-C252 PolarHBondContact O-N 3.16Å; A249-L253 PolarHBondContact O-N 3.28Å; A249-V274 HydrophobicContact CB-CG1 3.83Å; A249-V278 HydrophobicContact CB-CG2 3.64Å
250M95.4Very high87.3Confident13 Ų1354.2 Ų54.26%0.06427%0.273CS..Hα-helixtrans-61.6-42.1175.2-61.4177.880.200111.7M242 V246 C252 L253 A254 V278 L332 L336M242-M250 HydrophobicContact CE-SD 3.97Å; M242-M250 HydrophobicContact SD-SD 4.36Å; V246-M250 HydrophobicContact CG1-CG 4.28Å; V246-M250 HydrophobicContact CG1-SD 4.04Å; V246-M250 VanDerWaalsContact O-CG 3.25Å; V246-M250 WeakPolarHBondContact O-CG 3.36Å; V246-M250 PolarHBondContact O-N 3.49Å; M250-C252 VanDerWaalsContact C-N 3.35Å; M250-L253 PolarHBondContact O-N 2.89Å; M250-A254 VanDerWaalsContact O-CB 3.26Å; M250-A254 WeakPolarHBondContact O-CB 3.45Å; M250-A254 PolarHBondContact O-N 2.71Å; M250-V278 HydrophobicContact CG-CG1 4.07Å; M250-V278 HydrophobicContact CG-CG2 4.14Å; M250-L332 VanDerWaalsContact CE-C 3.5Å; M250-L332 HydrophobicContact CE-CB 3.99Å; M250-L332 WeakPolarHBondContact CE-O 3.25Å; M250-L336 HydrophobicContact CB-CD1 4.27Å; M250-L336 HydrophobicContact CB-CD2 4.15Å; M250-L336 HydrophobicContact CE-CB 3.79Å; M250-L336 HydrophobicContact CE-CD2 3.72Å; M250-L336 HydrophobicContact CE-CG 4.37Å; M250-L336 HydrophobicContact CG-CD2 3.87Å; M250-L336 WeakPolarHBondContact O-CD1 3.49Å
251K92.3Very high85.7Confident114 Ų11458.2 Ų58.250%0.49630%0.297SS..Hα-helixtrans-63.6-39.7176.3-77.4173.6178.6-179.60112.4V247 S248 A249 L253 A254 N255V247-K251 HydrophobicContact CG1-CD 4.34Å; V247-K251 WeakPolarHBondContact O-CB 3.27Å; V247-K251 VanDerWaalsContact O-CG 3.28Å; V247-K251 WeakPolarHBondContact O-CG 3.42Å; V247-K251 PolarHBondContact O-N 3.01Å; S248-K251 PolarHBondContact O-N 2.94Å; A249-K251 PolarHBondContact O-N 3.5Å; K251-L253 VanDerWaalsContact C-N 3.34Å; K251-L253 PolarHBondContact O-N 3.02Å; K251-A254 PolarHBondContact O-N 3.38Å; K251-N255 WeakPolarHBondContact O-CB 3.15Å; K251-N255 PolarHBondContact O-N 3.3Å
252C90.1Very high84Confident15 Ų1558.6 Ų58.610%0.10131%0.306CS..Hα-helixtrans-56.7-48.8177-177.90000110.9S248 A249 M250 W256S248-C252 WeakPolarHBondContact O-CB 3.5Å; S248-C252 PolarHBondContact O-N 3.48Å; A249-C252 WeakPolarHBondContact O-CB 3.23Å; A249-C252 PolarHBondContact O-N 3.16Å; M250-C252 VanDerWaalsContact C-N 3.35Å; C252-W256 PolarHBondContact O-N 2.98Å
253L92.1Very high82.3Confident0 Ų068.7 Ų68.70%035%0.35CS..Hα-helixtrans-68.8-44.9177.4-67172.7000112.7A249 M250 K251 N255 W256 E271 V274 L275 L336 V340A249-L253 PolarHBondContact O-N 3.28Å; M250-L253 PolarHBondContact O-N 2.89Å; K251-L253 VanDerWaalsContact C-N 3.34Å; K251-L253 PolarHBondContact O-N 3.02Å; L253-N255 VanDerWaalsContact C-N 3.28Å; L253-N255 PolarHBondContact O-N 3.39Å; L253-W256 PolarHBondContact O-N 3.26Å; L253-E271 HydrophobicContact CD2-CB 4.3Å; L253-V274 HydrophobicContact CD1-CG1 3.93Å; L253-V274 HydrophobicContact CD2-CB 4.24Å; L253-V274 HydrophobicContact CD2-CG1 4.1Å; L253-V274 HydrophobicContact CG-CB 4.39Å; L253-V274 HydrophobicContact CG-CG1 3.72Å; L253-L275 HydrophobicContact CD1-CB 4.11Å; L253-L275 HydrophobicContact CD1-CD1 4.19Å; L253-L336 HydrophobicContact CB-CD1 3.88Å; L253-V340 HydrophobicContact CB-CG2 4Å
254A92Very high80.5Confident18 Ų1871 Ų7115%0.14936%0.356CS..Hα-helixtrans-67.5-26.6-174.800000113.9M250 K251 L336 R339M250-A254 VanDerWaalsContact O-CB 3.26Å; M250-A254 WeakPolarHBondContact O-CB 3.45Å; M250-A254 PolarHBondContact O-N 2.71Å; K251-A254 PolarHBondContact O-N 3.38Å; A254-L336 HydrophobicContact CB-CD1 4.08Å; A254-R339 HydrophobicContact CB-CB 4.22Å
255N89.3Confident78.7Confident76 Ų7667.1 Ų67.141%0.40635%0.354SS..THydrogen-bonded Turntrans-11318.2-178.4-62.9-31.2000112.4K251 L253 E258 G259K251-N255 WeakPolarHBondContact O-CB 3.15Å; K251-N255 PolarHBondContact O-N 3.3Å; L253-N255 VanDerWaalsContact C-N 3.28Å; L253-N255 PolarHBondContact O-N 3.39Å; N255-E258 CarbonylContact O-C 3.57Å; N255-E258 PolarHBondContact O-N 2.59Å; N255-G259 PolarHBondContact O-N 3.06Å
256W87.8Confident77.6Confident32 Ų3265.9 Ų65.912%0.12136%0.356CS..THydrogen-bonded Turntrans-56.9137.7-178.5-175-86.9000112.8C252 L253 L266 F270 E271 N343 R345 L346C252-W256 PolarHBondContact O-N 2.98Å; L253-W256 PolarHBondContact O-N 3.26Å; W256-L266 HydrophobicContact CH2-CD2 3.29Å; W256-L266 HydrophobicContact CZ2-CD2 4.01Å; W256-L266 HydrophobicContact CZ3-CD2 3.69Å; W256-F270 AromaticContact CH2-CD1 3.95Å; W256-F270 HydrophobicContact CH2-CD1 3.95Å; W256-F270 AromaticContact CZ3-CD1 3.71Å; W256-F270 HydrophobicContact CZ3-CD1 3.71Å; W256-F270 AromaticContact CZ3-CE1 4Å; W256-F270 HydrophobicContact CZ3-CE1 4Å; W256-E271 HydrophobicContact CH2-CB 4.17Å; W256-E271 HydrophobicContact CZ3-CB 4.24Å; W256-N343 PolarHBondContact O-ND2 3.36Å; W256-R345 PolarHBondContact NE1-O 2.81Å; W256-L346 HydrophobicContact CB-CD1 3.67Å; W256-L346 HydrophobicContact CD2-CD1 3.75Å; W256-L346 HydrophobicContact CE3-CD1 4.36Å; W256-L346 HydrophobicContact CG-CD1 3.41Å; W256-L346 VanDerWaalsContact CG-CD1 3.41Å
257P79.8Confident77Confident57 Ų5771.2 Ų71.237%0.3738%0.378SS..THydrogen-bonded Turncis-89.8-4.7-2.835.3-35000113.9G259P257-G259 VanDerWaalsContact C-N 3.32Å; P257-G259 PolarHBondContact O-N 2.93Å
258E72.4Confident76.4Confident146 Ų14676.2 Ų76.268%0.68241%0.411SS*.THydrogen-bonded Turntrans-80.6-8.6-168.3-62.9173.6-16900113.8N255 N260 R345N255-E258 CarbonylContact O-C 3.57Å; N255-E258 PolarHBondContact O-N 2.59Å; E258-N260 PolarHBondContact O-N 3.42Å; E258-N260 VanDerWaalsContact O-N 3.12Å; E258-R345 IonicContact OE1-CZ 2.72Å; E258-R345 IonicContact OE1-NH1 3.68Å; E258-R345 PolarHBondContact OE1-NH1 3.44Å
259G58.8Low76.2Confident26 Ų2675.5 Ų75.527%0.26841%0.409SS..THydrogen-bonded Turntrans-72.63.7-175.400000116.5N255 P257N255-G259 PolarHBondContact O-N 3.06Å; P257-G259 VanDerWaalsContact C-N 3.32Å; P257-G259 PolarHBondContact O-N 2.93Å
260N57.4Low76Confident52 Ų5276 Ų7628%0.27841%0.408SS..  trans-102.494.2-176.3-136.6-5.2000110.5E258 A262E258-N260 PolarHBondContact O-N 3.42Å; E258-N260 VanDerWaalsContact O-N 3.12Å; N260-A262 WeakPolarHBondContact CB-O 3.35Å; N260-A262 PolarHBondContact ND2-O 3.34Å; N260-A262 PolarHBondContact O-N 2.85Å; N260-A262 PolarHBondContact OD1-O 3.11Å
261D54.9Low75.8Confident178 Ų17876 Ų7695%0.95241%0.408SS*.SBendtrans-62-20.6166.5-74.5-35.6000111.2
262A54.9Low75.9Confident47 Ų4774 Ų7439%0.38840%0.397SS..SBendtrans-95.6131.2174.700000110.4N260 Q264N260-A262 WeakPolarHBondContact CB-O 3.35Å; N260-A262 PolarHBondContact ND2-O 3.34Å; N260-A262 PolarHBondContact O-N 2.85Å; N260-A262 PolarHBondContact OD1-O 3.11Å; A262-Q264 HydrophobicContact CB-CG 3.98Å; A262-Q264 PolarHBondContact O-N 3.42Å
263K55.1Low76.1Confident222 Ų22276.2 Ų76.297%0.96541%0.408SS*.  trans-65.355.6167.4-59175.7-179.6178.90111.2
264Q56.8Low76.1Confident97 Ų9777 Ų7745%0.45341%0.413SS..  trans-75.9140.8176.2-71.5177.8-18.600109.6A262 L266A262-Q264 HydrophobicContact CB-CG 3.98Å; A262-Q264 PolarHBondContact O-N 3.42Å; Q264-L266 PolarHBondContact O-N 3.33Å; Q264-L266 VanDerWaalsContact O-N 3.14Å
265P55Low76.3Confident109 Ų10976.4 Ų76.471%0.70841%0.407SS*.  trans-66.4114.8175.925.5-30.3000109.7Y267P265-Y267 PolarHBondContact O-N 3.1Å; P265-Y267 VanDerWaalsContact O-N 3.14Å
266L70.4Confident76.6Confident101 Ų10180 Ų8053%0.52942%0.415SS..  trans-75.291.6170.1-68.7159.3000107.8W256 Q264 F270W256-L266 HydrophobicContact CH2-CD2 3.29Å; W256-L266 HydrophobicContact CZ2-CD2 4.01Å; W256-L266 HydrophobicContact CZ3-CD2 3.69Å; Q264-L266 PolarHBondContact O-N 3.33Å; Q264-L266 VanDerWaalsContact O-N 3.14Å; L266-F270 HydrophobicContact CD2-CD1 4.07Å; L266-F270 HydrophobicContact CD2-CE1 4.41Å
267Y83.9Confident77Confident113 Ų11381.5 Ų81.544%0.44343%0.428SS..  trans-82.4154.9168.861-91.4000110.3P265 G269 F270 D273P265-Y267 PolarHBondContact O-N 3.1Å; P265-Y267 VanDerWaalsContact O-N 3.14Å; Y267-G269 PolarHBondContact O-N 3.46Å; Y267-F270 HydrophobicContact CD1-CB 4.27Å; Y267-F270 HydrophobicContact CD1-CD2 4.37Å; Y267-F270 HydrophobicContact CD2-CB 4.21Å; Y267-F270 HydrophobicContact CE1-CB 4.07Å; Y267-F270 AromaticContact CE1-CD2 3.63Å; Y267-F270 HydrophobicContact CE1-CD2 3.63Å; Y267-F270 HydrophobicContact CE1-CG 4.29Å; Y267-F270 HydrophobicContact CE2-CB 4Å; Y267-F270 HydrophobicContact CG-CB 4.34Å; Y267-F270 AromaticContact CZ-CD2 3.81Å; Y267-F270 WeakPolarHBondContact O-CB 3.23Å; Y267-F270 PolarHBondContact O-N 3.4Å; Y267-D273 PolarHBondContact OH-OD2 3.35Å
268P81.3Confident77.8Confident133 Ų13378.8 Ų78.886%0.86441%0.41SS*.THydrogen-bonded Turntrans-58125.4177.1-2434.3000111.7
269G87.2Confident79Confident21 Ų2172 Ų7222%0.21638%0.379CS..THydrogen-bonded Turntrans92.2-1.2179.500000115.2Y267 E271 R272 D273Y267-G269 PolarHBondContact O-N 3.46Å; G269-E271 PolarHBondContact O-N 3Å; G269-R272 WeakPolarHBondContact O-CB 3.49Å; G269-R272 PolarHBondContact O-N 3.03Å; G269-D273 PolarHBondContact O-N 2.89Å
270F89.9Confident80.8Confident25 Ų2573.7 Ų73.711%0.1138%0.382CS..Hα-helixtrans-52.1-40176.5171.3-102.9000112.7W256 L266 Y267 R272 D273 V274W256-F270 AromaticContact CH2-CD1 3.95Å; W256-F270 HydrophobicContact CH2-CD1 3.95Å; W256-F270 AromaticContact CZ3-CD1 3.71Å; W256-F270 HydrophobicContact CZ3-CD1 3.71Å; W256-F270 AromaticContact CZ3-CE1 4Å; W256-F270 HydrophobicContact CZ3-CE1 4Å; L266-F270 HydrophobicContact CD2-CD1 4.07Å; L266-F270 HydrophobicContact CD2-CE1 4.41Å; Y267-F270 HydrophobicContact CD1-CB 4.27Å; Y267-F270 HydrophobicContact CD1-CD2 4.37Å; Y267-F270 HydrophobicContact CD2-CB 4.21Å; Y267-F270 HydrophobicContact CE1-CB 4.07Å; Y267-F270 AromaticContact CE1-CD2 3.63Å; Y267-F270 HydrophobicContact CE1-CD2 3.63Å; Y267-F270 HydrophobicContact CE1-CG 4.29Å; Y267-F270 HydrophobicContact CE2-CB 4Å; Y267-F270 HydrophobicContact CG-CB 4.34Å; Y267-F270 AromaticContact CZ-CD2 3.81Å; Y267-F270 WeakPolarHBondContact O-CB 3.23Å; Y267-F270 PolarHBondContact O-N 3.4Å; F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.34Å; F270-D273 PolarHBondContact O-N 2.94Å; F270-V274 HydrophobicContact CD1-CG2 4.13Å; F270-V274 HydrophobicContact CD2-CG2 4.12Å; F270-V274 HydrophobicContact CE1-CG2 3.72Å; F270-V274 HydrophobicContact CE2-CG2 3.7Å; F270-V274 HydrophobicContact CG-CG2 4.33Å; F270-V274 HydrophobicContact CZ-CG2 3.49Å; F270-V274 VanDerWaalsContact CZ-CG2 3.49Å; F270-V274 VanDerWaalsContact O-CG2 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.5Å; F270-V274 PolarHBondContact O-N 2.9Å
271E91.2Very high82.7Confident13 Ų1372.7 Ų72.76%0.06138%0.375CS..Hα-helixtrans-61.4-34.5177.471.7-68.6164.300113.1L253 W256 G269 L275 L346 L349L253-E271 HydrophobicContact CD2-CB 4.3Å; W256-E271 HydrophobicContact CH2-CB 4.17Å; W256-E271 HydrophobicContact CZ3-CB 4.24Å; G269-E271 PolarHBondContact O-N 3Å; E271-L275 WeakPolarHBondContact O-CB 3.48Å; E271-L275 PolarHBondContact O-N 3.31Å; E271-L346 HydrophobicContact CB-CD1 4.24Å; E271-L349 HydrophobicContact CB-CD2 4Å; E271-L349 HydrophobicContact CG-CD2 3.52Å
272R93.6Very high84.6Confident72 Ų7264.3 Ų64.327%0.27233%0.33SS..Hα-helixtrans-70.9-40.8178.3-57.6-177.5179.7-168.3-7.5110.4G269 F270 L275 R276 P348 D351G269-R272 WeakPolarHBondContact O-CB 3.49Å; G269-R272 PolarHBondContact O-N 3.03Å; F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.34Å; R272-L275 PolarHBondContact O-N 3.47Å; R272-R276 WeakPolarHBondContact O-CB 3.4Å; R272-R276 PolarHBondContact O-N 3.36Å; R272-P348 PolarHBondContact NE-O 2.86Å; R272-P348 PolarHBondContact NH2-O 2.7Å; R272-D351 IonicContact CZ-OD1 3.23Å; R272-D351 IonicContact CZ-OD2 3.39Å; R272-D351 IonicContact NH1-OD1 3.11Å; R272-D351 PolarHBondContact NH1-OD1 2.85Å; R272-D351 IonicContact NH1-OD2 3.66Å; R272-D351 PolarHBondContact NH1-OD2 2.59Å; R272-D351 IonicContact NH2-OD1 3.13Å; R272-D351 PolarHBondContact NH2-OD1 3.05Å; R272-D351 IonicContact NH2-OD2 3.01Å
273D93.4Very high86.4Confident63 Ų6367.8 Ų67.834%0.33734%0.338SS..Hα-helixtrans-69.2-40178.1-68.9-25.8000111.7Y267 G269 F270 R276 T277Y267-D273 PolarHBondContact OH-OD2 3.35Å; G269-D273 PolarHBondContact O-N 2.89Å; F270-D273 PolarHBondContact O-N 2.94Å; D273-R276 PolarHBondContact O-N 3.4Å; D273-T277 WeakPolarHBondContact O-CB 3.44Å; D273-T277 PolarHBondContact O-N 3Å; D273-T277 PolarHBondContact O-OG1 3.3Å
274V93.6Very high88.3Confident16 Ų1665 Ų6510%0.09733%0.325CS..Hα-helixtrans-62.6-45173.4176.80000110.6A249 L253 F270 T277 V278A249-V274 HydrophobicContact CB-CG1 3.83Å; L253-V274 HydrophobicContact CD1-CG1 3.93Å; L253-V274 HydrophobicContact CD2-CB 4.24Å; L253-V274 HydrophobicContact CD2-CG1 4.1Å; L253-V274 HydrophobicContact CG-CB 4.39Å; L253-V274 HydrophobicContact CG-CG1 3.72Å; F270-V274 HydrophobicContact CD1-CG2 4.13Å; F270-V274 HydrophobicContact CD2-CG2 4.12Å; F270-V274 HydrophobicContact CE1-CG2 3.72Å; F270-V274 HydrophobicContact CE2-CG2 3.7Å; F270-V274 HydrophobicContact CG-CG2 4.33Å; F270-V274 HydrophobicContact CZ-CG2 3.49Å; F270-V274 VanDerWaalsContact CZ-CG2 3.49Å; F270-V274 VanDerWaalsContact O-CG2 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.5Å; F270-V274 PolarHBondContact O-N 2.9Å; V274-T277 PolarHBondContact O-N 2.94Å; V274-V278 WeakPolarHBondContact O-CG2 3.33Å; V274-V278 PolarHBondContact O-N 3.11Å; V274-V278 VanDerWaalsContact O-N 3.08Å
275L95.8Very high90Very high5 Ų562.3 Ų62.33%0.02631%0.314CS..Hα-helixtrans-59.8-47175.5178.167.5000111.5L253 E271 R272 T277 V278 A279 L349 L358 M359 M362 F363L253-L275 HydrophobicContact CD1-CB 4.11Å; L253-L275 HydrophobicContact CD1-CD1 4.19Å; E271-L275 WeakPolarHBondContact O-CB 3.48Å; E271-L275 PolarHBondContact O-N 3.31Å; R272-L275 PolarHBondContact O-N 3.47Å; L275-T277 VanDerWaalsContact C-N 3.3Å; L275-T277 PolarHBondContact O-N 3.36Å; L275-V278 PolarHBondContact O-N 3.36Å; L275-V278 VanDerWaalsContact O-N 3.15Å; L275-A279 PolarHBondContact O-N 3.04Å; L275-L349 HydrophobicContact CD2-CB 4.14Å; L275-L349 HydrophobicContact CD2-CD1 3.76Å; L275-L349 HydrophobicContact CD2-CG 4.39Å; L275-L358 HydrophobicContact CD2-CD2 3.91Å; L275-M359 HydrophobicContact CD1-CE 4.13Å; L275-M359 HydrophobicContact CD1-SD 3.78Å; L275-M362 HydrophobicContact CD1-SD 4.01Å; L275-M362 HydrophobicContact CD2-CE 3.93Å; L275-M362 HydrophobicContact CD2-SD 3.98Å; L275-M362 HydrophobicContact CG-CE 4.27Å; L275-M362 HydrophobicContact CG-SD 3.8Å; L275-F363 HydrophobicContact CD1-CE2 4.26Å; L275-F363 HydrophobicContact CD1-CZ 4.38Å
276R95.8Very high91.7Very high152 Ų15267.1 Ų67.157%0.57432%0.324SS*.Hα-helixtrans-58.5-43.1177.7-174.7179.4-65.1158.91.7111.4R272 D273 V278 A279 D280R272-R276 WeakPolarHBondContact O-CB 3.4Å; R272-R276 PolarHBondContact O-N 3.36Å; D273-R276 PolarHBondContact O-N 3.4Å; R276-V278 VanDerWaalsContact C-N 3.31Å; R276-V278 PolarHBondContact O-N 3.43Å; R276-A279 WeakPolarHBondContact O-CB 3.4Å; R276-A279 PolarHBondContact O-N 2.84Å; R276-A279 VanDerWaalsContact O-N 3.13Å; R276-D280 WeakPolarHBondContact O-CB 3.31Å; R276-D280 PolarHBondContact O-N 2.84Å
277T95.9Very high92.7Very high64 Ų6465.5 Ų65.539%0.39331%0.314SS..Hα-helixtrans-62-39.1177.9-49.60000111.8W245 D273 V274 L275 Y281W245-T277 HydrophobicContact CE3-CG2 4.31Å; W245-T277 HydrophobicContact CH2-CG2 4.42Å; W245-T277 HydrophobicContact CZ3-CG2 3.7Å; D273-T277 WeakPolarHBondContact O-CB 3.44Å; D273-T277 PolarHBondContact O-N 3Å; D273-T277 PolarHBondContact O-OG1 3.3Å; V274-T277 PolarHBondContact O-N 2.94Å; L275-T277 VanDerWaalsContact C-N 3.3Å; L275-T277 PolarHBondContact O-N 3.36Å; T277-Y281 PolarHBondContact O-N 3.04Å
278V97.2Very high93.2Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-67.2-43.4173.6175.90000110.7A249 M250 V274 L275 R276 Y281 Y282 L336 F363A249-V278 HydrophobicContact CB-CG2 3.64Å; M250-V278 HydrophobicContact CG-CG1 4.07Å; M250-V278 HydrophobicContact CG-CG2 4.14Å; V274-V278 WeakPolarHBondContact O-CG2 3.33Å; V274-V278 PolarHBondContact O-N 3.11Å; V274-V278 VanDerWaalsContact O-N 3.08Å; L275-V278 PolarHBondContact O-N 3.36Å; L275-V278 VanDerWaalsContact O-N 3.15Å; R276-V278 VanDerWaalsContact C-N 3.31Å; R276-V278 PolarHBondContact O-N 3.43Å; V278-Y281 WeakPolarHBondContact O-CB 3.28Å; V278-Y281 PolarHBondContact O-N 3.32Å; V278-Y282 HydrophobicContact CG1-CD2 3.99Å; V278-Y282 HydrophobicContact CG1-CE2 3.91Å; V278-Y282 WeakPolarHBondContact O-CD2 3.48Å; V278-Y282 PolarHBondContact O-N 2.66Å; V278-L336 HydrophobicContact CG1-CD2 4.14Å; V278-F363 HydrophobicContact CG1-CE1 4.39Å; V278-F363 HydrophobicContact CG1-CZ 4.14Å
279A96.9Very high93.9Very high3 Ų354.4 Ų54.43%0.02526%0.255CS..Hα-helixtrans-59.6-48177.600000111.9L275 R276 Y281 Y282 Q283 M362 F363L275-A279 PolarHBondContact O-N 3.04Å; R276-A279 WeakPolarHBondContact O-CB 3.4Å; R276-A279 PolarHBondContact O-N 2.84Å; R276-A279 VanDerWaalsContact O-N 3.13Å; A279-Y281 PolarHBondContact O-N 2.95Å; A279-Y282 PolarHBondContact O-N 2.99Å; A279-Q283 WeakPolarHBondContact O-CB 3.33Å; A279-Q283 WeakPolarHBondContact O-CG 3.35Å; A279-Q283 PolarHBondContact O-N 3.28Å; A279-M362 HydrophobicContact CB-CG 3.68Å; A279-M362 HydrophobicContact CB-SD 3.49Å; A279-M362 WeakPolarHBondContact CB-SD 3.44Å; A279-F363 HydrophobicContact CB-CE1 4.42Å; A279-F363 HydrophobicContact CB-CZ 4.41Å
280D97Very high94.4Very high62 Ų6253.4 Ų53.433%0.33225%0.245SC..Hα-helixtrans-56.9-35.3178.3-70.7-7.2000112.2R276 K284R276-D280 WeakPolarHBondContact O-CB 3.31Å; R276-D280 PolarHBondContact O-N 2.84Å; D280-K284 WeakPolarHBondContact O-CB 3.19Å; D280-K284 VanDerWaalsContact O-CD 3.27Å; D280-K284 WeakPolarHBondContact O-CD 3.43Å; D280-K284 WeakPolarHBondContact O-CG 3.16Å; D280-K284 PolarHBondContact O-N 3.43Å
281Y96.8Very high94.6Very high31 Ų3152.7 Ų52.712%0.12224%0.242CC..Hα-helixtrans-63.7-50.8174.9170.9-101.6000111.8M242 P243 W245 V246 T277 V278 A279 K284M242-Y281 HydrophobicContact CG-CE1 4.15Å; M242-Y281 HydrophobicContact SD-CE1 3.98Å; P243-Y281 HydrophobicContact CG-CE2 4.09Å; W245-Y281 HydrophobicContact CH2-CD2 4.12Å; W245-Y281 HydrophobicContact CH2-CG 4.26Å; W245-Y281 HydrophobicContact CZ2-CD2 4.07Å; V246-Y281 HydrophobicContact CG1-CD1 3.81Å; V246-Y281 HydrophobicContact CG1-CE1 4.14Å; V246-Y281 HydrophobicContact CG1-CG 4.21Å; V246-Y281 HydrophobicContact CG2-CD1 4Å; V246-Y281 HydrophobicContact CG2-CD2 3.61Å; V246-Y281 HydrophobicContact CG2-CE1 4.31Å; V246-Y281 HydrophobicContact CG2-CE2 3.94Å; V246-Y281 HydrophobicContact CG2-CG 3.64Å; T277-Y281 PolarHBondContact O-N 3.04Å; V278-Y281 WeakPolarHBondContact O-CB 3.28Å; V278-Y281 PolarHBondContact O-N 3.32Å; A279-Y281 PolarHBondContact O-N 2.95Å; Y281-K284 PolarHBondContact O-N 3.45Å
282Y95.8Very high94.8Very high2 Ų255.4 Ų55.41%0.00825%0.254CS..Hα-helixtrans-70.1-33.9-177.3-80.3-82.7000112.3M242 V278 A279 K284 L285 L289 R329 L333 F363M242-Y282 PolarHBondContact SD-OH 3.41Å; M242-Y282 VanDerWaalsContact SD-OH 3.37Å; V278-Y282 HydrophobicContact CG1-CD2 3.99Å; V278-Y282 HydrophobicContact CG1-CE2 3.91Å; V278-Y282 WeakPolarHBondContact O-CD2 3.48Å; V278-Y282 PolarHBondContact O-N 2.66Å; A279-Y282 PolarHBondContact O-N 2.99Å; Y282-K284 VanDerWaalsContact C-N 3.27Å; Y282-K284 PolarHBondContact O-N 2.81Å; Y282-L285 HydrophobicContact CD1-CD1 3.74Å; Y282-L285 HydrophobicContact CE1-CD1 4.46Å; Y282-L285 HydrophobicContact CG-CD1 4.48Å; Y282-L285 WeakPolarHBondContact O-CB 3.38Å; Y282-L285 WeakPolarHBondContact O-CG 3.39Å; Y282-L285 PolarHBondContact O-N 3.02Å; Y282-L289 HydrophobicContact CD1-CD1 4.05Å; Y282-L289 HydrophobicContact CD1-CD2 4.44Å; Y282-L289 HydrophobicContact CE1-CD1 3.85Å; Y282-L289 HydrophobicContact CE1-CD2 4.25Å; Y282-R329 HydrophobicContact CE1-CB 4.39Å; Y282-R329 PolarHBondContact OH-O 3.14Å; Y282-L333 HydrophobicContact CD1-CD2 4.14Å; Y282-L333 HydrophobicContact CD2-CD1 4.42Å; Y282-L333 HydrophobicContact CE1-CB 4.29Å; Y282-L333 HydrophobicContact CE1-CD2 3.96Å; Y282-L333 HydrophobicContact CE2-CD1 4.06Å; Y282-F363 HydrophobicContact CD2-CD1 4.38Å; Y282-F363 AromaticContact CD2-CE1 3.83Å; Y282-F363 HydrophobicContact CD2-CE1 3.83Å; Y282-F363 HydrophobicContact CG-CD1 4.37Å; Y282-F363 HydrophobicContact CG-CE1 4.22Å
283Q92.7Very high94.7Very high119 Ų11957.2 Ų57.256%0.55627%0.266SS*.Hα-helixtrans-68.5-24.9175.1-70.5174.24.800113A279 L285A279-Q283 WeakPolarHBondContact O-CB 3.33Å; A279-Q283 WeakPolarHBondContact O-CG 3.35Å; A279-Q283 PolarHBondContact O-N 3.28Å; Q283-L285 VanDerWaalsContact C-N 3.29Å
284K93.9Very high94.8Very high163 Ų16354.7 Ų54.771%0.70925%0.252SS*.THydrogen-bonded Turntrans-83.4-1.4175.8-73.3169.3-169.91690113.6D280 Y281 Y282D280-K284 WeakPolarHBondContact O-CB 3.19Å; D280-K284 VanDerWaalsContact O-CD 3.27Å; D280-K284 WeakPolarHBondContact O-CD 3.43Å; D280-K284 WeakPolarHBondContact O-CG 3.16Å; D280-K284 PolarHBondContact O-N 3.43Å; Y281-K284 PolarHBondContact O-N 3.45Å; Y282-K284 VanDerWaalsContact C-N 3.27Å; Y282-K284 PolarHBondContact O-N 2.81Å
285L92.6Very high94.8Very high42 Ų4255.1 Ų55.122%0.2225%0.252CS..  trans-66.9134.7175.1-64.7175.7000109.6Y282 Q283 E287 L289Y282-L285 HydrophobicContact CD1-CD1 3.74Å; Y282-L285 HydrophobicContact CE1-CD1 4.46Å; Y282-L285 HydrophobicContact CG-CD1 4.48Å; Y282-L285 WeakPolarHBondContact O-CB 3.38Å; Y282-L285 WeakPolarHBondContact O-CG 3.39Å; Y282-L285 PolarHBondContact O-N 3.02Å; Q283-L285 VanDerWaalsContact C-N 3.29Å; L285-E287 PolarHBondContact O-N 3.33Å; L285-L289 HydrophobicContact CD1-CD2 3.82Å; L285-L289 HydrophobicContact CD1-CG 4.44Å
286K90.1Very high94.7Very high210 Ų21059.1 Ų59.191%0.91327%0.271SS*.SBendtrans-70.9-18.6-179.2-63.5-175.1178.5-176.20113.6
287E92.2Very high94.7Very high67 Ų6751.9 Ų51.931%0.31324%0.243SC..SBendtrans-142.3143.6-175.2-174.3-179.9-162.600108.6L285 T291 F292L285-E287 PolarHBondContact O-N 3.33Å; E287-T291 WeakPolarHBondContact OE1-CA 3.28Å; E287-T291 WeakPolarHBondContact OE1-CB 3.45Å; E287-F292 HydrophobicContact CB-CD2 4.49Å; E287-F292 HydrophobicContact CB-CE2 4.12Å; E287-F292 HydrophobicContact CG-CD2 3.65Å; E287-F292 HydrophobicContact CG-CE2 3.72Å; E287-F292 HydrophobicContact CG-CG 4.27Å; E287-F292 HydrophobicContact CG-CZ 4.38Å; E287-F292 PolarHBondContact OE1-N 3.2Å
288P94.6Very high94.7Very high11 Ų1148.8 Ų48.87%0.07123%0.225CC..  trans-58.2151.6171.724.3-35.6000111.8L290 T291 F292 C366P288-L290 PolarHBondContact O-N 3.26Å; P288-T291 WeakPolarHBondContact O-CA 3.32Å; P288-T291 PolarHBondContact O-N 2.83Å; P288-F292 HydrophobicContact CG-CD1 3.81Å; P288-F292 HydrophobicContact CG-CE1 3.68Å; P288-F292 HydrophobicContact CG-CG 4.47Å; P288-F292 HydrophobicContact CG-CZ 4.24Å; P288-C366 CarbonylContact C-O 3.55Å; P288-C366 VanDerWaalsContact CA-O 3.3Å; P288-C366 WeakPolarHBondContact CA-O 3.38Å
289L96.6Very high94.6Very high2 Ų250.4 Ų50.41%0.0123%0.234CC..THydrogen-bonded Turntrans-59.7-32.1-179.5-65.9174.7000112.3Y282 L285 T291 N326 R329 L330 L333 C366 V367Y282-L289 HydrophobicContact CD1-CD1 4.05Å; Y282-L289 HydrophobicContact CD1-CD2 4.44Å; Y282-L289 HydrophobicContact CE1-CD1 3.85Å; Y282-L289 HydrophobicContact CE1-CD2 4.25Å; L285-L289 HydrophobicContact CD1-CD2 3.82Å; L285-L289 HydrophobicContact CD1-CG 4.44Å; L289-T291 PolarHBondContact O-N 3.13Å; L289-N326 WeakPolarHBondContact O-CB 3.29Å; L289-N326 PolarHBondContact O-ND2 3.35Å; L289-R329 HydrophobicContact CD2-CB 3.67Å; L289-L330 HydrophobicContact CB-CB 4.48Å; L289-L330 HydrophobicContact CB-CD1 4.43Å; L289-L330 HydrophobicContact CD1-CB 4.35Å; L289-L330 HydrophobicContact CD1-CD1 4.21Å; L289-L333 HydrophobicContact CD1-CD2 3.71Å; L289-C366 WeakPolarHBondContact CG-O 3.27Å; L289-C366 PolarHBondContact N-O 3.38Å; L289-V367 HydrophobicContact CD1-CG2 4.17Å
290L96.3Very high94.5Very high0 Ų052.4 Ų52.40%025%0.245CC..THydrogen-bonded Turntrans-81.1-0.4176.7-61.6-178.1000114.1P288 L294 F298 L322 L330 V367 L368 L384 M388P288-L290 PolarHBondContact O-N 3.26Å; L290-L294 WeakPolarHBondContact O-CB 3.09Å; L290-F298 HydrophobicContact CB-CD2 3.78Å; L290-F298 HydrophobicContact CB-CE2 3.79Å; L290-F298 HydrophobicContact CB-CG 4.44Å; L290-F298 HydrophobicContact CB-CZ 4.43Å; L290-F298 HydrophobicContact CD1-CB 4.23Å; L290-F298 HydrophobicContact CD1-CD1 3.78Å; L290-F298 HydrophobicContact CD1-CD2 3.91Å; L290-F298 HydrophobicContact CD1-CE1 4.07Å; L290-F298 HydrophobicContact CD1-CE2 4.22Å; L290-F298 HydrophobicContact CD1-CG 3.71Å; L290-F298 HydrophobicContact CD1-CZ 4.31Å; L290-F298 HydrophobicContact CD2-CD1 4.45Å; L290-F298 HydrophobicContact CD2-CD2 4.38Å; L290-F298 HydrophobicContact CD2-CE1 3.9Å; L290-F298 HydrophobicContact CD2-CE2 3.85Å; L290-F298 HydrophobicContact CD2-CZ 3.6Å; L290-F298 HydrophobicContact CG-CD2 4.23Å; L290-F298 HydrophobicContact CG-CE2 4.15Å; L290-F298 HydrophobicContact CG-CG 4.49Å; L290-F298 HydrophobicContact CG-CZ 4.31Å; L290-L322 HydrophobicContact CD2-CD1 3.95Å; L290-L322 HydrophobicContact CD2-CD2 4.33Å; L290-L322 WeakPolarHBondContact O-CD2 3.45Å; L290-L330 HydrophobicContact CD2-CD1 4.47Å; L290-L330 HydrophobicContact CD2-CD2 3.58Å; L290-V367 VanDerWaalsContact CB-O 3.25Å; L290-V367 WeakPolarHBondContact CB-O 3.25Å; L290-V367 HydrophobicContact CD1-CG1 3.72Å; L290-V367 HydrophobicContact CG-CG1 3.83Å; L290-V367 WeakPolarHBondContact CG-O 3.29Å; L290-V367 PolarHBondContact N-O 3.46Å; L290-L368 HydrophobicContact CD1-CB 4.31Å; L290-L368 HydrophobicContact CD1-CD1 4.13Å; L290-L384 HydrophobicContact CD1-CD2 3.73Å; L290-M388 HydrophobicContact CD1-SD 4.44Å; L290-M388 HydrophobicContact CD2-CE 4.49Å
291T95.2Very high94.5Very high9 Ų949.5 Ų49.56%0.05523%0.229CC..  trans64.1150.6-177.473.50000114.1E287 P288 L289 H293 L294 Y295 L322 P323E287-T291 WeakPolarHBondContact OE1-CA 3.28Å; E287-T291 WeakPolarHBondContact OE1-CB 3.45Å; P288-T291 WeakPolarHBondContact O-CA 3.32Å; P288-T291 PolarHBondContact O-N 2.83Å; L289-T291 PolarHBondContact O-N 3.13Å; T291-H293 VanDerWaalsContact C-N 3.29Å; T291-H293 PolarHBondContact O-N 2.82Å; T291-L294 WeakPolarHBondContact OG1-CG 3.44Å; T291-Y295 PolarHBondContact O-N 3.06Å; T291-L322 HydrophobicContact CG2-CD2 4.28Å; T291-P323 HydrophobicContact CG2-CG 4.22Å
292F93.9Very high94.4Very high71 Ų7148.6 Ų48.631%0.31123%0.226SC..G310 helixtrans-67.5-33.6176.3-64.1-56.3000111.7E287 P288 L294 Y295 G369 P371E287-F292 HydrophobicContact CB-CD2 4.49Å; E287-F292 HydrophobicContact CB-CE2 4.12Å; E287-F292 HydrophobicContact CG-CD2 3.65Å; E287-F292 HydrophobicContact CG-CE2 3.72Å; E287-F292 HydrophobicContact CG-CG 4.27Å; E287-F292 HydrophobicContact CG-CZ 4.38Å; E287-F292 PolarHBondContact OE1-N 3.2Å; P288-F292 HydrophobicContact CG-CD1 3.81Å; P288-F292 HydrophobicContact CG-CE1 3.68Å; P288-F292 HydrophobicContact CG-CG 4.47Å; P288-F292 HydrophobicContact CG-CZ 4.24Å; F292-L294 PolarHBondContact O-N 3.31Å; F292-Y295 WeakPolarHBondContact O-CB 3.28Å; F292-Y295 PolarHBondContact O-N 3.37Å; F292-G369 WeakPolarHBondContact CD1-O 3.43Å; F292-P371 HydrophobicContact CD1-CB 4.15Å; F292-P371 HydrophobicContact CE1-CB 4.27Å; F292-P371 HydrophobicContact CG-CB 4.42Å
293H92.9Very high94.3Very high110 Ų11052.8 Ų52.851%0.50926%0.256SS..G310 helixtrans-67.9-20.9-177.2-60.8-49.6000114.7H214 T291H214-H293 HydrophobicContact CB-CB 4.47Å; H214-H293 AromaticContact CE1-ND1 3.91Å; H214-H293 AromaticContact ND1-CG 3.92Å; H214-H293 AromaticContact ND1-ND1 3.65Å; T291-H293 VanDerWaalsContact C-N 3.29Å; T291-H293 PolarHBondContact O-N 2.82Å
294L94.9Very high94.3Very high10 Ų1048 Ų485%0.05223%0.234CC..G310 helixtrans-1084.2178.7-56.6173.5000112.3L210 L290 T291 F292 E296 V297 F298 L321 L322L210-L294 HydrophobicContact CD1-CD2 3.36Å; L290-L294 WeakPolarHBondContact O-CB 3.09Å; T291-L294 WeakPolarHBondContact OG1-CG 3.44Å; F292-L294 PolarHBondContact O-N 3.31Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 2.88Å; L294-V297 HydrophobicContact CD2-CG2 4.33Å; L294-V297 VanDerWaalsContact O-CB 3.31Å; L294-V297 WeakPolarHBondContact O-CB 3.17Å; L294-V297 PolarHBondContact O-N 3.47Å; L294-F298 HydrophobicContact CB-CD2 3.96Å; L294-F298 HydrophobicContact CB-CE2 3.77Å; L294-F298 HydrophobicContact CD1-CE2 4.24Å; L294-F298 VanDerWaalsContact O-CD2 3.23Å; L294-F298 WeakPolarHBondContact O-CD2 3.39Å; L294-F298 PolarHBondContact O-N 3.46Å; L294-F298 VanDerWaalsContact O-N 3.13Å; L294-L321 HydrophobicContact CD1-CB 4.01Å; L294-L321 HydrophobicContact CD2-CB 4.33Å; L294-L321 HydrophobicContact CD2-CD1 4.26Å; L294-L322 HydrophobicContact CD1-CD2 3.68Å; L294-L322 HydrophobicContact CD1-CG 4.32Å
295Y94.4Very high94.3Very high24 Ų2441.4 Ų41.49%0.09421%0.206CC..Hα-helixtrans-49.5-53.2-179172.9-91.7000111.4T291 F292 V297 F298 V299 L368 G369 D377T291-Y295 PolarHBondContact O-N 3.06Å; F292-Y295 WeakPolarHBondContact O-CB 3.28Å; F292-Y295 PolarHBondContact O-N 3.37Å; Y295-V297 VanDerWaalsContact C-N 3.28Å; Y295-V297 PolarHBondContact O-N 2.85Å; Y295-F298 PolarHBondContact O-N 2.76Å; Y295-V299 HydrophobicContact CD1-CG2 4.03Å; Y295-V299 HydrophobicContact CD2-CG2 4.38Å; Y295-V299 HydrophobicContact CE1-CG2 3.54Å; Y295-V299 HydrophobicContact CE2-CG2 3.96Å; Y295-V299 HydrophobicContact CG-CG2 4.4Å; Y295-V299 VanDerWaalsContact CZ-CG2 3.5Å; Y295-V299 WeakPolarHBondContact O-CG2 3.4Å; Y295-V299 PolarHBondContact O-N 3.03Å; Y295-L368 HydrophobicContact CD2-CD1 3.73Å; Y295-L368 HydrophobicContact CD2-CG 4.11Å; Y295-L368 HydrophobicContact CE2-CD1 4.23Å; Y295-L368 HydrophobicContact CE2-CG 4.14Å; Y295-G369 WeakPolarHBondContact CD2-O 3.27Å; Y295-D377 PolarHBondContact OH-OD1 2.81Å
296E93.9Very high94.3Very high89 Ų8948.4 Ų48.442%0.41624%0.238SC..Hα-helixtrans-58.3-37.6179-68.1-60153.700112.8I209 L294 F298 V299 N300I209-E296 HydrophobicContact CG2-CB 4.27Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 2.88Å; E296-F298 PolarHBondContact O-N 3.42Å; E296-V299 PolarHBondContact O-N 2.87Å; E296-N300 WeakPolarHBondContact O-CB 3.16Å; E296-N300 PolarHBondContact O-N 3.5Å; E296-N300 PolarHBondContact O-ND2 3.33Å
297V95.8Very high94.5Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-60.5-47.9176.11790000110.2L197 I209 L210 L294 Y295 N300 I301L197-V297 HydrophobicContact CD1-CG1 4.23Å; L197-V297 HydrophobicContact CD2-CG1 3.82Å; I209-V297 HydrophobicContact CG2-CG2 3.94Å; L210-V297 HydrophobicContact CB-CG2 4Å; L210-V297 HydrophobicContact CD1-CG2 4.1Å; L294-V297 HydrophobicContact CD2-CG2 4.33Å; L294-V297 VanDerWaalsContact O-CB 3.31Å; L294-V297 WeakPolarHBondContact O-CB 3.17Å; L294-V297 PolarHBondContact O-N 3.47Å; Y295-V297 VanDerWaalsContact C-N 3.28Å; Y295-V297 PolarHBondContact O-N 2.85Å; V297-N300 PolarHBondContact O-N 3.03Å; V297-I301 HydrophobicContact CG1-CD1 4.34Å; V297-I301 WeakPolarHBondContact O-CG1 3.39Å; V297-I301 PolarHBondContact O-N 2.91Å; V297-I301 VanDerWaalsContact O-N 3.12Å
298F95.9Very high94.6Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-72.6-32.8-178-72.8-75.8000113L290 L294 Y295 E296 I301 L302 L315 S318 L322 L368 L384L290-F298 HydrophobicContact CB-CD2 3.78Å; L290-F298 HydrophobicContact CB-CE2 3.79Å; L290-F298 HydrophobicContact CB-CG 4.44Å; L290-F298 HydrophobicContact CB-CZ 4.43Å; L290-F298 HydrophobicContact CD1-CB 4.23Å; L290-F298 HydrophobicContact CD1-CD1 3.78Å; L290-F298 HydrophobicContact CD1-CD2 3.91Å; L290-F298 HydrophobicContact CD1-CE1 4.07Å; L290-F298 HydrophobicContact CD1-CE2 4.22Å; L290-F298 HydrophobicContact CD1-CG 3.71Å; L290-F298 HydrophobicContact CD1-CZ 4.31Å; L290-F298 HydrophobicContact CD2-CD1 4.45Å; L290-F298 HydrophobicContact CD2-CD2 4.38Å; L290-F298 HydrophobicContact CD2-CE1 3.9Å; L290-F298 HydrophobicContact CD2-CE2 3.85Å; L290-F298 HydrophobicContact CD2-CZ 3.6Å; L290-F298 HydrophobicContact CG-CD2 4.23Å; L290-F298 HydrophobicContact CG-CE2 4.15Å; L290-F298 HydrophobicContact CG-CG 4.49Å; L290-F298 HydrophobicContact CG-CZ 4.31Å; L294-F298 HydrophobicContact CB-CD2 3.96Å; L294-F298 HydrophobicContact CB-CE2 3.77Å; L294-F298 HydrophobicContact CD1-CE2 4.24Å; L294-F298 VanDerWaalsContact O-CD2 3.23Å; L294-F298 WeakPolarHBondContact O-CD2 3.39Å; L294-F298 PolarHBondContact O-N 3.46Å; L294-F298 VanDerWaalsContact O-N 3.13Å; Y295-F298 PolarHBondContact O-N 2.76Å; E296-F298 PolarHBondContact O-N 3.42Å; F298-I301 HydrophobicContact CD1-CD1 4.06Å; F298-I301 HydrophobicContact CE1-CD1 4.43Å; F298-I301 WeakPolarHBondContact O-CB 3.46Å; F298-I301 PolarHBondContact O-N 3.22Å; F298-L302 PolarHBondContact O-N 2.96Å; F298-L315 HydrophobicContact CD1-CD2 3.89Å; F298-L315 HydrophobicContact CE1-CD2 3.89Å; F298-S318 WeakPolarHBondContact CE1-OG 3.24Å; F298-S318 WeakPolarHBondContact CZ-OG 3.24Å; F298-L322 HydrophobicContact CE2-CD2 4.44Å; F298-L368 HydrophobicContact CB-CD1 3.95Å; F298-L384 HydrophobicContact CB-CD2 3.92Å; F298-L384 HydrophobicContact CD1-CD2 4.25Å; F298-L384 HydrophobicContact CG-CD2 4.42Å
299V94.4Very high94.5Very high34 Ų3451.1 Ų51.121%0.20626%0.257CS..Hα-helixtrans-64.3-42.5170.6173.80000110.9Y295 E296 I301 L302 L380Y295-V299 HydrophobicContact CD1-CG2 4.03Å; Y295-V299 HydrophobicContact CD2-CG2 4.38Å; Y295-V299 HydrophobicContact CE1-CG2 3.54Å; Y295-V299 HydrophobicContact CE2-CG2 3.96Å; Y295-V299 HydrophobicContact CG-CG2 4.4Å; Y295-V299 VanDerWaalsContact CZ-CG2 3.5Å; Y295-V299 WeakPolarHBondContact O-CG2 3.4Å; Y295-V299 PolarHBondContact O-N 3.03Å; E296-V299 PolarHBondContact O-N 2.87Å; V299-I301 VanDerWaalsContact C-N 3.28Å; V299-I301 PolarHBondContact O-N 2.65Å; V299-L302 VanDerWaalsContact O-CB 3.23Å; V299-L302 WeakPolarHBondContact O-CB 3.37Å; V299-L302 PolarHBondContact O-N 3.26Å; V299-L380 HydrophobicContact CG1-CD1 4.36Å; V299-L380 HydrophobicContact CG2-CD1 4.19Å
300N94.8Very high94.4Very high45 Ų4555.3 Ų55.324%0.24128%0.275CS..Hα-helixtrans-62.6-34.7175.9-84.6-86.2000112.3E296 V297 L302 S303E296-N300 WeakPolarHBondContact O-CB 3.16Å; E296-N300 PolarHBondContact O-N 3.5Å; E296-N300 PolarHBondContact O-ND2 3.33Å; V297-N300 PolarHBondContact O-N 3.03Å; N300-L302 PolarHBondContact O-N 3.45Å; N300-S303 WeakPolarHBondContact O-CB 3.24Å; N300-S303 PolarHBondContact O-N 3.35Å; N300-S303 PolarHBondContact O-OG 2.91Å
301I96.3Very high94.4Very high0 Ų055.3 Ų55.30%028%0.275CS..Hα-helixtrans-62-28174.6-68.3170000112L201 V297 F298 V299 S303 L304 A314 L315L201-I301 HydrophobicContact CD2-CG1 3.75Å; V297-I301 HydrophobicContact CG1-CD1 4.34Å; V297-I301 WeakPolarHBondContact O-CG1 3.39Å; V297-I301 PolarHBondContact O-N 2.91Å; V297-I301 VanDerWaalsContact O-N 3.12Å; F298-I301 HydrophobicContact CD1-CD1 4.06Å; F298-I301 HydrophobicContact CE1-CD1 4.43Å; F298-I301 WeakPolarHBondContact O-CB 3.46Å; F298-I301 PolarHBondContact O-N 3.22Å; V299-I301 VanDerWaalsContact C-N 3.28Å; V299-I301 PolarHBondContact O-N 2.65Å; I301-S303 PolarHBondContact O-N 3.23Å; I301-S303 VanDerWaalsContact O-N 3.13Å; I301-L304 WeakPolarHBondContact O-CB 3.39Å; I301-L304 PolarHBondContact O-N 3.31Å; I301-A314 HydrophobicContact CD1-CB 3.99Å; I301-A314 HydrophobicContact CG1-CB 3.85Å; I301-A314 HydrophobicContact CG2-CB 4.36Å; I301-L315 HydrophobicContact CD1-CD2 4.03Å; I301-L315 HydrophobicContact CD1-CG 4.46Å; I301-L315 HydrophobicContact CG2-CD1 4.5Å; I301-L315 HydrophobicContact CG2-CD2 3.96Å; I301-L315 HydrophobicContact CG2-CG 3.91Å
302L94.8Very high94.4Very high12 Ų1255.9 Ų55.96%0.06328%0.278CS..G310 helixtrans-59.5-27178.4-70.8170.7000113.2F298 V299 N300 L304 L305 L380 K383 L384F298-L302 PolarHBondContact O-N 2.96Å; V299-L302 VanDerWaalsContact O-CB 3.23Å; V299-L302 WeakPolarHBondContact O-CB 3.37Å; V299-L302 PolarHBondContact O-N 3.26Å; N300-L302 PolarHBondContact O-N 3.45Å; L302-L304 PolarHBondContact O-N 2.91Å; L302-L305 HydrophobicContact CD2-CD1 3.51Å; L302-L305 HydrophobicContact CD2-CG 4.31Å; L302-L305 WeakPolarHBondContact O-CG 3.47Å; L302-L380 HydrophobicContact CD1-CB 3.73Å; L302-L380 HydrophobicContact CD1-CD2 3.5Å; L302-L380 HydrophobicContact CD1-CG 4.13Å; L302-K383 HydrophobicContact CD2-CB 4.28Å; L302-K383 HydrophobicContact CD2-CD 4.28Å; L302-K383 HydrophobicContact CD2-CG 4.26Å; L302-L384 HydrophobicContact CD2-CB 3.72Å; L302-L384 HydrophobicContact CD2-CD1 4.01Å; L302-L384 HydrophobicContact CD2-CG 4.44Å
303S93.6Very high94.5Very high90 Ų9054.8 Ų54.863%0.62927%0.274SS*.G310 helixtrans-68.5-23.7174.871.70000113N300 I301N300-S303 WeakPolarHBondContact O-CB 3.24Å; N300-S303 PolarHBondContact O-N 3.35Å; N300-S303 PolarHBondContact O-OG 2.91Å; I301-S303 PolarHBondContact O-N 3.23Å; I301-S303 VanDerWaalsContact O-N 3.13Å
304L94.3Very high94.7Very high19 Ų1949.5 Ų49.510%0.09925%0.249CC..G310 helixtrans-92.2-4.7-177.9-58.8179.5000113.4L201 I301 L302 Q306 E307 A311 A314L201-L304 HydrophobicContact CD2-CD1 3.85Å; I301-L304 WeakPolarHBondContact O-CB 3.39Å; I301-L304 PolarHBondContact O-N 3.31Å; L302-L304 PolarHBondContact O-N 2.91Å; L304-Q306 PolarHBondContact O-N 3.05Å; L304-E307 CarbonylContact O-C 3.21Å; L304-E307 WeakPolarHBondContact O-CA 3.31Å; L304-E307 PolarHBondContact O-N 2.75Å; L304-A311 HydrophobicContact CB-CB 4.31Å; L304-A314 HydrophobicContact CD1-CB 4.24Å
305L93.3Very high94.8Very high24 Ų2449 Ų4913%0.12625%0.247CC..THydrogen-bonded Turntrans-61.2-20.1-174.1-65.4-174.5000114.4L302 E307 A311 K383 F387L302-L305 HydrophobicContact CD2-CD1 3.51Å; L302-L305 HydrophobicContact CD2-CG 4.31Å; L302-L305 WeakPolarHBondContact O-CG 3.47Å; L305-E307 VanDerWaalsContact C-N 3.28Å; L305-A311 HydrophobicContact CD2-CB 4.01Å; L305-K383 HydrophobicContact CD1-CD 4.17Å; L305-K383 HydrophobicContact CD1-CG 3.9Å; L305-F387 HydrophobicContact CD1-CB 4.41Å; L305-F387 HydrophobicContact CD2-CB 4.1Å; L305-F387 HydrophobicContact CD2-CD1 3.62Å; L305-F387 HydrophobicContact CD2-CD2 3.89Å; L305-F387 HydrophobicContact CD2-CE1 3.95Å; L305-F387 HydrophobicContact CD2-CE2 4.19Å; L305-F387 HydrophobicContact CD2-CG 3.59Å; L305-F387 HydrophobicContact CD2-CZ 4.22Å
306Q91.6Very high94.8Very high190 Ų19049.1 Ų49.189%0.88825%0.248SC*.THydrogen-bonded Turntrans-68.7-29.6172.4-64.6-175.1-5.900112L304L304-Q306 PolarHBondContact O-N 3.05Å
307E94.3Very high94.9Very high94 Ų9444.9 Ų44.944%0.43923%0.228SC..SBendtrans-10282.6177.2-62-168.3-106.300109.7L304 L305 D309 K310 A311L304-E307 CarbonylContact O-C 3.21Å; L304-E307 WeakPolarHBondContact O-CA 3.31Å; L304-E307 PolarHBondContact O-N 2.75Å; L305-E307 VanDerWaalsContact C-N 3.28Å; E307-D309 VanDerWaalsContact C-N 3.31Å; E307-D309 PolarHBondContact O-N 3.44Å; E307-D309 VanDerWaalsContact O-N 3.16Å; E307-K310 HydrophobicContact CB-CB 4.13Å; E307-K310 HydrophobicContact CB-CD 4.24Å; E307-K310 HydrophobicContact CB-CG 4.35Å; E307-K310 PolarHBondContact O-N 2.93Å; E307-K310 IonicContact OE1-NZ 3.97Å; E307-K310 PolarHBondContact OE1-NZ 3.46Å; E307-K310 VanDerWaalsContact OE2-CD 3.31Å; E307-K310 WeakPolarHBondContact OE2-CD 3.33Å; E307-K310 WeakPolarHBondContact OE2-CE 3.44Å; E307-K310 IonicContact OE2-NZ 2.92Å; E307-K310 PolarHBondContact OE2-NZ 3.36Å; E307-A311 PolarHBondContact O-N 3.33Å
308Q94Very high94.9Very high111 Ų11144.9 Ų44.952%0.51923%0.229SC..Hα-helixtrans-49.1-47.1-170.9-66.3-172.5-15.100113.7K310 A311 I312 F387Q308-K310 PolarHBondContact O-N 2.86Å; Q308-A311 PolarHBondContact O-N 3.45Å; Q308-I312 WeakPolarHBondContact O-CB 3.49Å; Q308-I312 VanDerWaalsContact O-CG1 3.23Å; Q308-I312 WeakPolarHBondContact O-CG1 3.44Å; Q308-I312 PolarHBondContact O-N 2.92Å; Q308-F387 HydrophobicContact CG-CE2 4.29Å
309D93.4Very high94.9Very high139 Ų13945.1 Ų45.174%0.74323%0.23SC*.Hα-helixtrans-63-42.4-178.3-66.3-35.4000112.4E307 I312 E313E307-D309 VanDerWaalsContact C-N 3.31Å; E307-D309 PolarHBondContact O-N 3.44Å; E307-D309 VanDerWaalsContact O-N 3.16Å; D309-I312 PolarHBondContact O-N 3.36Å; D309-E313 WeakPolarHBondContact O-CB 3.43Å; D309-E313 PolarHBondContact O-N 3.07Å
310K93.9Very high94.9Very high90 Ų9043.5 Ų43.539%0.39122%0.22SC..Hα-helixtrans-68.9-40.8177.2-69.8-173.2-173.9161.60111.5E307 Q308 E313 A314E307-K310 HydrophobicContact CB-CB 4.13Å; E307-K310 HydrophobicContact CB-CD 4.24Å; E307-K310 HydrophobicContact CB-CG 4.35Å; E307-K310 PolarHBondContact O-N 2.93Å; E307-K310 IonicContact OE1-NZ 3.97Å; E307-K310 PolarHBondContact OE1-NZ 3.46Å; E307-K310 VanDerWaalsContact OE2-CD 3.31Å; E307-K310 WeakPolarHBondContact OE2-CD 3.33Å; E307-K310 WeakPolarHBondContact OE2-CE 3.44Å; E307-K310 IonicContact OE2-NZ 2.92Å; E307-K310 PolarHBondContact OE2-NZ 3.36Å; Q308-K310 PolarHBondContact O-N 2.86Å; K310-E313 PolarHBondContact O-N 3.27Å; K310-A314 VanDerWaalsContact O-CB 3.31Å; K310-A314 WeakPolarHBondContact O-CB 3.31Å; K310-A314 PolarHBondContact O-N 2.78Å
311A96.4Very high95Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-62.6-43.4176.200000111.5L304 L305 E307 Q308 A314 L315 F387L304-A311 HydrophobicContact CB-CB 4.31Å; L305-A311 HydrophobicContact CD2-CB 4.01Å; E307-A311 PolarHBondContact O-N 3.33Å; Q308-A311 PolarHBondContact O-N 3.45Å; A311-A314 PolarHBondContact O-N 2.95Å; A311-L315 WeakPolarHBondContact O-CB 3.02Å; A311-L315 VanDerWaalsContact O-CG 3.24Å; A311-L315 WeakPolarHBondContact O-CG 3.47Å; A311-L315 PolarHBondContact O-N 3.24Å; A311-F387 HydrophobicContact CB-CE1 3.83Å; A311-F387 HydrophobicContact CB-CZ 3.69Å
312I96.6Very high95Very high22 Ų2242 Ų4211%0.11321%0.212CC..Hα-helixtrans-63-46.5175.4-68.5166000110.3Q308 D309 A314 L315 Q316 F387 H391 A394Q308-I312 WeakPolarHBondContact O-CB 3.49Å; Q308-I312 VanDerWaalsContact O-CG1 3.23Å; Q308-I312 WeakPolarHBondContact O-CG1 3.44Å; Q308-I312 PolarHBondContact O-N 2.92Å; D309-I312 PolarHBondContact O-N 3.36Å; I312-A314 VanDerWaalsContact C-N 3.32Å; I312-A314 PolarHBondContact O-N 3.34Å; I312-L315 PolarHBondContact O-N 2.67Å; I312-Q316 HydrophobicContact CG2-CG 4.33Å; I312-Q316 WeakPolarHBondContact O-CB 3.49Å; I312-Q316 VanDerWaalsContact O-CG 3.27Å; I312-Q316 WeakPolarHBondContact O-CG 3.42Å; I312-Q316 PolarHBondContact O-N 3Å; I312-F387 HydrophobicContact CG1-CE1 4.18Å; I312-F387 HydrophobicContact CG1-CZ 4.15Å; I312-H391 HydrophobicContact CD1-CB 4.16Å; I312-H391 HydrophobicContact CG1-CB 4.13Å; I312-A394 HydrophobicContact CD1-CB 4.39Å; I312-A394 HydrophobicContact CG2-CB 3.81Å
313E95.7Very high95Very high47 Ų4743.5 Ų43.522%0.2222%0.223CC..Hα-helixtrans-59.9-43177-169.3176.1-165.600111.1H196 V200 D309 K310 Q316 V317 N399H196-E313 IonicContact CE1-OE1 2.68Å; H196-E313 PolarHBondContact CE1-OE1 3.02Å; H196-E313 IonicContact NE2-OE1 3.13Å; H196-E313 PolarHBondContact NE2-OE1 2.99Å; H196-E313 VanDerWaalsContact NE2-OE1 3.11Å; V200-E313 HydrophobicContact CG1-CB 4.25Å; V200-E313 HydrophobicContact CG1-CG 4.37Å; V200-E313 HydrophobicContact CG2-CG 3.94Å; D309-E313 WeakPolarHBondContact O-CB 3.43Å; D309-E313 PolarHBondContact O-N 3.07Å; K310-E313 PolarHBondContact O-N 3.27Å; E313-Q316 PolarHBondContact O-N 3.41Å; E313-V317 WeakPolarHBondContact O-CG2 3.44Å; E313-V317 PolarHBondContact O-N 2.84Å; E313-V317 VanDerWaalsContact O-N 3.11Å; E313-N399 WeakPolarHBondContact CG-ND2 3.33Å
314A96.3Very high95.1Very high0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-63.1-45.117800000111.6V200 L201 I301 L304 K310 A311 I312 V317 S318V200-A314 HydrophobicContact CG1-CB 3.67Å; L201-A314 HydrophobicContact CD2-CB 4.39Å; I301-A314 HydrophobicContact CD1-CB 3.99Å; I301-A314 HydrophobicContact CG1-CB 3.85Å; I301-A314 HydrophobicContact CG2-CB 4.36Å; L304-A314 HydrophobicContact CD1-CB 4.24Å; K310-A314 VanDerWaalsContact O-CB 3.31Å; K310-A314 WeakPolarHBondContact O-CB 3.31Å; K310-A314 PolarHBondContact O-N 2.78Å; A311-A314 PolarHBondContact O-N 2.95Å; I312-A314 VanDerWaalsContact C-N 3.32Å; I312-A314 PolarHBondContact O-N 3.34Å; A314-V317 PolarHBondContact O-N 3.28Å; A314-S318 WeakPolarHBondContact O-CB 3.39Å; A314-S318 PolarHBondContact O-N 3.16Å; A314-S318 PolarHBondContact O-OG 3.49Å; A314-S318 VanDerWaalsContact O-OG 3.09Å
315L97Very high95.2Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-66.5-40.4178-72.9168.2000112.4F298 I301 A311 I312 V317 S318 C319 L384 F387 M388 I395F298-L315 HydrophobicContact CD1-CD2 3.89Å; F298-L315 HydrophobicContact CE1-CD2 3.89Å; I301-L315 HydrophobicContact CD1-CD2 4.03Å; I301-L315 HydrophobicContact CD1-CG 4.46Å; I301-L315 HydrophobicContact CG2-CD1 4.5Å; I301-L315 HydrophobicContact CG2-CD2 3.96Å; I301-L315 HydrophobicContact CG2-CG 3.91Å; A311-L315 WeakPolarHBondContact O-CB 3.02Å; A311-L315 VanDerWaalsContact O-CG 3.24Å; A311-L315 WeakPolarHBondContact O-CG 3.47Å; A311-L315 PolarHBondContact O-N 3.24Å; I312-L315 PolarHBondContact O-N 2.67Å; L315-V317 VanDerWaalsContact C-N 3.28Å; L315-V317 PolarHBondContact O-N 3.37Å; L315-S318 WeakPolarHBondContact CA-OG 3.43Å; L315-S318 PolarHBondContact O-OG 2.88Å; L315-C319 WeakPolarHBondContact O-CB 3.3Å; L315-C319 PolarHBondContact O-N 3.45Å; L315-C319 PolarHBondContact O-SG 3.05Å; L315-L384 HydrophobicContact CD2-CD1 4.16Å; L315-F387 HydrophobicContact CD1-CD1 3.73Å; L315-F387 HydrophobicContact CD1-CE1 3.72Å; L315-M388 HydrophobicContact CD1-CG 4.08Å; L315-M388 HydrophobicContact CD2-CE 4.28Å; L315-M388 HydrophobicContact CD2-CG 4.34Å; L315-M388 HydrophobicContact CD2-SD 4.27Å; L315-I395 HydrophobicContact CB-CD1 4.38Å; L315-I395 HydrophobicContact CB-CG1 4.06Å; L315-I395 HydrophobicContact CB-CG2 4.02Å; L315-I395 HydrophobicContact CD1-CD1 3.67Å; L315-I395 HydrophobicContact CD1-CG1 4.16Å
316Q95.6Very high95.3Very high25 Ų2539.5 Ų39.512%0.11720%0.196CC..Hα-helixtrans-57.1-46.4174.6-77.9176.2-17.400110.6I312 E313 L320 A394I312-Q316 HydrophobicContact CG2-CG 4.33Å; I312-Q316 WeakPolarHBondContact O-CB 3.49Å; I312-Q316 VanDerWaalsContact O-CG 3.27Å; I312-Q316 WeakPolarHBondContact O-CG 3.42Å; I312-Q316 PolarHBondContact O-N 3Å; E313-Q316 PolarHBondContact O-N 3.41Å; Q316-L320 WeakPolarHBondContact O-CG 3.35Å; Q316-A394 PolarHBondContact NE2-O 2.71Å
317V95.3Very high95.5Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-74-44.4-176176.90000111.1T193 H196 L197 E313 A314 L315 C319 L320 N399T193-V317 HydrophobicContact CG2-CG1 3.76Å; H196-V317 WeakPolarHBondContact CD2-CG2 3.39Å; L197-V317 HydrophobicContact CB-CG1 3.89Å; L197-V317 HydrophobicContact CD1-CG1 4.37Å; E313-V317 WeakPolarHBondContact O-CG2 3.44Å; E313-V317 PolarHBondContact O-N 2.84Å; E313-V317 VanDerWaalsContact O-N 3.11Å; A314-V317 PolarHBondContact O-N 3.28Å; L315-V317 VanDerWaalsContact C-N 3.28Å; L315-V317 PolarHBondContact O-N 3.37Å; V317-C319 VanDerWaalsContact C-N 3.34Å; V317-C319 PolarHBondContact O-N 3.03Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 PolarHBondContact O-N 3.16Å; V317-L320 VanDerWaalsContact O-N 3.16Å; V317-N399 HydrophobicContact CG2-CB 4.44Å
318S95.6Very high95.6Very high1 Ų128.2 Ų28.21%0.00714%0.141CC..Hα-helixtrans-65.8-36.3178.365.80000112F298 A314 L315 L320 L321F298-S318 WeakPolarHBondContact CE1-OG 3.24Å; F298-S318 WeakPolarHBondContact CZ-OG 3.24Å; A314-S318 WeakPolarHBondContact O-CB 3.39Å; A314-S318 PolarHBondContact O-N 3.16Å; A314-S318 PolarHBondContact O-OG 3.49Å; A314-S318 VanDerWaalsContact O-OG 3.09Å; L315-S318 WeakPolarHBondContact CA-OG 3.43Å; L315-S318 PolarHBondContact O-OG 2.88Å; S318-L320 PolarHBondContact O-N 3.3Å; S318-L321 VanDerWaalsContact O-CB 3.3Å; S318-L321 WeakPolarHBondContact O-CB 3.3Å; S318-L321 PolarHBondContact O-N 3.23Å
319C96Very high95.8Very high5 Ų525.1 Ų25.13%0.03413%0.125CC..Hα-helixtrans-64.9-20.5175.3-720000113.2L315 V317 L321 L322 R327L315-C319 WeakPolarHBondContact O-CB 3.3Å; L315-C319 PolarHBondContact O-N 3.45Å; L315-C319 PolarHBondContact O-SG 3.05Å; V317-C319 VanDerWaalsContact C-N 3.34Å; V317-C319 PolarHBondContact O-N 3.03Å; C319-L321 VanDerWaalsContact C-N 3.27Å; C319-L322 HydrophobicContact CB-CD1 4.22Å; C319-L322 PolarHBondContact O-N 3.08Å; C319-R327 WeakPolarHBondContact O-CD 3.36Å; C319-R327 PolarHBondContact O-NE 3.08Å
320L95.4Very high95.9Very high0 Ų018.7 Ų18.70%09%0.09CC..Hα-helixtrans-71.9-23.6173.3-64.3174.8000112.6I220 N223 I224 Q316 V317 S318 L322 L402I220-L320 WeakPolarHBondContact CG1-O 3.49Å; I220-L320 HydrophobicContact CG2-CB 4.41Å; N223-L320 HydrophobicContact CB-CD2 3.98Å; N223-L320 PolarHBondContact ND2-O 2.94Å; I224-L320 HydrophobicContact CD1-CD1 4.06Å; I224-L320 HydrophobicContact CG1-CD1 4.13Å; I224-L320 HydrophobicContact CG1-CD2 3.75Å; Q316-L320 WeakPolarHBondContact O-CG 3.35Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 PolarHBondContact O-N 3.16Å; V317-L320 VanDerWaalsContact O-N 3.16Å; S318-L320 PolarHBondContact O-N 3.3Å; L320-L322 VanDerWaalsContact C-N 3.26Å; L320-L402 HydrophobicContact CD1-CD2 3.93Å
321L95.8Very high96.1Very high13 Ų1314.8 Ų14.87%0.0687%0.073CC..THydrogen-bonded Turntrans-77.2-14.6178.8-51.9179.4000112.6T193 L197 L210 V215 I220 L294 S318 C319T193-L321 HydrophobicContact CG2-CD2 3.73Å; L197-L321 HydrophobicContact CD2-CD1 3.79Å; L210-L321 HydrophobicContact CD2-CD1 4.03Å; V215-L321 HydrophobicContact CG1-CD2 3.88Å; I220-L321 HydrophobicContact CD1-CD2 3.81Å; I220-L321 HydrophobicContact CG1-CD2 4.24Å; L294-L321 HydrophobicContact CD1-CB 4.01Å; L294-L321 HydrophobicContact CD2-CB 4.33Å; L294-L321 HydrophobicContact CD2-CD1 4.26Å; S318-L321 VanDerWaalsContact O-CB 3.3Å; S318-L321 WeakPolarHBondContact O-CB 3.3Å; S318-L321 PolarHBondContact O-N 3.23Å; C319-L321 VanDerWaalsContact C-N 3.27Å
322L96Very high96.1Very high0 Ų016.5 Ų16.50%08%0.082CC..SBendtrans-69.2146.9-179.7-66.9170.8000111.4N223 L290 T291 L294 F298 C319 L320 R327 L330N223-L322 PolarHBondContact ND2-O 3.42Å; L290-L322 HydrophobicContact CD2-CD1 3.95Å; L290-L322 HydrophobicContact CD2-CD2 4.33Å; L290-L322 WeakPolarHBondContact O-CD2 3.45Å; T291-L322 HydrophobicContact CG2-CD2 4.28Å; L294-L322 HydrophobicContact CD1-CD2 3.68Å; L294-L322 HydrophobicContact CD1-CG 4.32Å; F298-L322 HydrophobicContact CE2-CD2 4.44Å; C319-L322 HydrophobicContact CB-CD1 4.22Å; C319-L322 PolarHBondContact O-N 3.08Å; L320-L322 VanDerWaalsContact C-N 3.26Å; L322-R327 HydrophobicContact CB-CB 4.09Å; L322-R327 HydrophobicContact CD1-CB 4.4Å; L322-L330 HydrophobicContact CD1-CD2 3.96Å
323P95.8Very high96.1Very high44 Ų4415.4 Ų15.429%0.2868%0.077SC..  trans-51.7138165.2-25.534.5000110.6T291 P325 N326 R327T291-P323 HydrophobicContact CG2-CG 4.22Å; P323-P325 VanDerWaalsContact C-CD 3.43Å; P323-P325 VanDerWaalsContact C-N 3.32Å; P323-N326 HydrophobicContact CB-CB 4.32Å; P323-N326 WeakPolarHBondContact O-CB 3.33Å; P323-N326 PolarHBondContact O-N 3.47Å; P323-R327 PolarHBondContact O-N 2.72Å
324P96Very high96.2Very high12 Ų1213.4 Ų13.48%0.0787%0.068CC..Hα-helixtrans-54.1-39.4-176.6-25.434.3000114.3D219 V222 N223 V233 L235 N326 R327 R328D219-P324 HydrophobicContact CB-CG 4.17Å; V222-P324 HydrophobicContact CB-CG 4.12Å; V222-P324 HydrophobicContact CG1-CB 3.98Å; V222-P324 HydrophobicContact CG1-CG 3.86Å; N223-P324 WeakPolarHBondContact OD1-CA 3.39Å; V233-P324 HydrophobicContact CG1-CB 4.05Å; L235-P324 HydrophobicContact CD2-CB 3.71Å; P324-N326 PolarHBondContact O-N 3.1Å; P324-R327 PolarHBondContact O-N 3.35Å; P324-R328 WeakPolarHBondContact O-CB 3.38Å; P324-R328 PolarHBondContact O-N 3.37Å
325P95.8Very high96.2Very high15 Ų1515.8 Ų15.810%0.0978%0.077CC..Hα-helixtrans-61.5-43.2175-2435.1000113.1L235 E240 P323 R328 R329L235-P325 HydrophobicContact CD1-CB 4.22Å; L235-P325 HydrophobicContact CD1-CG 4.33Å; L235-P325 HydrophobicContact CD2-CG 4.14Å; E240-P325 HydrophobicContact CB-CB 4.46Å; E240-P325 HydrophobicContact CB-CG 3.94Å; P323-P325 VanDerWaalsContact C-CD 3.43Å; P323-P325 VanDerWaalsContact C-N 3.32Å; P325-R328 PolarHBondContact O-N 2.94Å; P325-R329 WeakPolarHBondContact O-CB 3.25Å; P325-R329 VanDerWaalsContact O-CG 3.23Å; P325-R329 WeakPolarHBondContact O-CG 3.46Å; P325-R329 PolarHBondContact O-N 2.92Å
326N96Very high96.2Very high21 Ų2116 Ų1611%0.1128%0.078CC..Hα-helixtrans-65.4-45.9179.7-70.839.6000110.9L289 P323 P324 R328 R329 L330L289-N326 WeakPolarHBondContact O-CB 3.29Å; L289-N326 PolarHBondContact O-ND2 3.35Å; P323-N326 HydrophobicContact CB-CB 4.32Å; P323-N326 WeakPolarHBondContact O-CB 3.33Å; P323-N326 PolarHBondContact O-N 3.47Å; P324-N326 PolarHBondContact O-N 3.1Å; N326-R328 VanDerWaalsContact C-N 3.33Å; N326-R328 PolarHBondContact O-N 3.13Å; N326-R329 PolarHBondContact O-N 2.93Å; N326-L330 WeakPolarHBondContact O-CB 3.1Å; N326-L330 PolarHBondContact O-N 3.28Å
327R95.7Very high96.3Very high4 Ų414.9 Ų14.92%0.0157%0.072CC..Hα-helixtrans-59.3-44.2176.6-170.1178.6-178.5-124.33.2111.7N223 V233 C319 L322 P323 P324 L330 Q331N223-R327 VanDerWaalsContact CG-CD 3.42Å; N223-R327 PolarHBondContact O-NH1 3.15Å; N223-R327 VanDerWaalsContact OD1-CD 3.31Å; N223-R327 WeakPolarHBondContact OD1-CD 3.46Å; V233-R327 HydrophobicContact CG2-CB 4.4Å; V233-R327 HydrophobicContact CG2-CG 4.1Å; C319-R327 WeakPolarHBondContact O-CD 3.36Å; C319-R327 PolarHBondContact O-NE 3.08Å; L322-R327 HydrophobicContact CB-CB 4.09Å; L322-R327 HydrophobicContact CD1-CB 4.4Å; P323-R327 PolarHBondContact O-N 2.72Å; P324-R327 PolarHBondContact O-N 3.35Å; R327-L330 PolarHBondContact O-N 3.24Å; R327-Q331 HydrophobicContact CG-CG 4.49Å; R327-Q331 WeakPolarHBondContact O-CB 3.32Å; R327-Q331 VanDerWaalsContact O-CG 3.25Å; R327-Q331 WeakPolarHBondContact O-CG 3.32Å; R327-Q331 PolarHBondContact O-N 2.9Å
328R95.9Very high96.3Very high43 Ų4315 Ų1516%0.1627%0.074CC..Hα-helixtrans-61-47.6176.5-179176.5168.783.7-6.5112I232 V233 D241 P324 P325 N326 L330 Q331 L332I232-R328 HydrophobicContact CG2-CG 4.19Å; V233-R328 HydrophobicContact CB-CB 4.17Å; V233-R328 WeakPolarHBondContact O-CD 3.43Å; V233-R328 PolarHBondContact O-NH1 3.2Å; D241-R328 WeakPolarHBondContact OD1-CD 3.47Å; D241-R328 IonicContact OD1-CZ 3.92Å; D241-R328 IonicContact OD1-NE 3.39Å; D241-R328 PolarHBondContact OD1-NE 2.88Å; D241-R328 IonicContact OD1-NH2 2.71Å; D241-R328 IonicContact OD2-CZ 2.78Å; D241-R328 VanDerWaalsContact OD2-CZ 3.3Å; D241-R328 IonicContact OD2-NE 3.53Å; D241-R328 PolarHBondContact OD2-NE 3Å; D241-R328 IonicContact OD2-NH2 3.35Å; D241-R328 PolarHBondContact OD2-NH2 3.47Å; P324-R328 WeakPolarHBondContact O-CB 3.38Å; P324-R328 PolarHBondContact O-N 3.37Å; P325-R328 PolarHBondContact O-N 2.94Å; N326-R328 VanDerWaalsContact C-N 3.33Å; N326-R328 PolarHBondContact O-N 3.13Å; R328-L330 VanDerWaalsContact C-N 3.33Å; R328-L330 PolarHBondContact O-N 2.91Å; R328-Q331 PolarHBondContact O-N 3.3Å; R328-L332 HydrophobicContact CG-CD1 4.04Å; R328-L332 WeakPolarHBondContact O-CG 3.45Å; R328-L332 PolarHBondContact O-N 3.39Å
329R96.8Very high96.3Very high46 Ų4622 Ų2217%0.17410%0.1CC..Hα-helixtrans-59.1-44178-72.8170.9-171.3166.15.8111.6E240 M242 Y282 L289 P325 N326 L332 L333E240-R329 PolarHBondContact O-NH2 2.89Å; M242-R329 HydrophobicContact CG-CG 3.61Å; M242-R329 HydrophobicContact SD-CB 4.35Å; M242-R329 HydrophobicContact SD-CG 3.78Å; Y282-R329 HydrophobicContact CE1-CB 4.39Å; Y282-R329 PolarHBondContact OH-O 3.14Å; L289-R329 HydrophobicContact CD2-CB 3.67Å; P325-R329 WeakPolarHBondContact O-CB 3.25Å; P325-R329 VanDerWaalsContact O-CG 3.23Å; P325-R329 WeakPolarHBondContact O-CG 3.46Å; P325-R329 PolarHBondContact O-N 2.92Å; N326-R329 PolarHBondContact O-N 2.93Å; R329-L332 PolarHBondContact O-N 3.25Å; R329-L333 VanDerWaalsContact O-CB 3.3Å; R329-L333 WeakPolarHBondContact O-CB 3.39Å; R329-L333 PolarHBondContact O-N 2.89Å
330L97.4Very high96.2Very high4 Ų422 Ų222%0.02110%0.099CC..Hα-helixtrans-62.8-48.7175.8-179.269.3000112L289 L290 L322 N326 R327 R328 L332 L333 L334 V367 M388L289-L330 HydrophobicContact CB-CB 4.48Å; L289-L330 HydrophobicContact CB-CD1 4.43Å; L289-L330 HydrophobicContact CD1-CB 4.35Å; L289-L330 HydrophobicContact CD1-CD1 4.21Å; L290-L330 HydrophobicContact CD2-CD1 4.47Å; L290-L330 HydrophobicContact CD2-CD2 3.58Å; L322-L330 HydrophobicContact CD1-CD2 3.96Å; N326-L330 WeakPolarHBondContact O-CB 3.1Å; N326-L330 PolarHBondContact O-N 3.28Å; R327-L330 PolarHBondContact O-N 3.24Å; R328-L330 VanDerWaalsContact C-N 3.33Å; R328-L330 PolarHBondContact O-N 2.91Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 3.35Å; L330-L333 PolarHBondContact O-N 2.88Å; L330-L334 HydrophobicContact CD1-CD1 4.12Å; L330-L334 HydrophobicContact CD1-CG 4.18Å; L330-L334 HydrophobicContact CG-CD1 4.02Å; L330-L334 HydrophobicContact CG-CG 4.42Å; L330-L334 WeakPolarHBondContact O-CG 3.16Å; L330-L334 PolarHBondContact O-N 3.48Å; L330-V367 HydrophobicContact CD1-CG1 3.88Å; L330-V367 HydrophobicContact CD1-CG2 4.19Å; L330-M388 HydrophobicContact CD1-CE 4.41Å; L330-M388 HydrophobicContact CD2-CE 3.88Å; L330-M388 HydrophobicContact CG-CE 4.5Å
331Q96.6Very high96.1Very high8 Ų823.9 Ų23.94%0.03711%0.112CC..Hα-helixtrans-58.7-41.7178.8-75.6177.2-35.600112.2G231 R327 R328 R335G231-Q331 PolarHBondContact O-NE2 2.66Å; R327-Q331 HydrophobicContact CG-CG 4.49Å; R327-Q331 WeakPolarHBondContact O-CB 3.32Å; R327-Q331 VanDerWaalsContact O-CG 3.25Å; R327-Q331 WeakPolarHBondContact O-CG 3.32Å; R327-Q331 PolarHBondContact O-N 2.9Å; R328-Q331 PolarHBondContact O-N 3.3Å; Q331-R335 WeakPolarHBondContact O-CB 3.44Å; Q331-R335 VanDerWaalsContact O-CG 3.23Å; Q331-R335 WeakPolarHBondContact O-CG 3.27Å; Q331-R335 PolarHBondContact O-N 2.66Å
332L96.6Very high96Very high36 Ų3630.4 Ų30.419%0.18814%0.142CC..Hα-helixtrans-70.9-39.7178.4-70.2173.1000111.8I232 M242 M250 R328 R329 L330 R335 L336I232-L332 HydrophobicContact CD1-CD2 3.81Å; I232-L332 HydrophobicContact CG2-CD2 4.42Å; I232-L332 HydrophobicContact CG2-CG 4.47Å; M242-L332 HydrophobicContact CE-CB 4.02Å; M242-L332 HydrophobicContact CE-CD1 3.29Å; M242-L332 HydrophobicContact CE-CG 4.28Å; M250-L332 VanDerWaalsContact CE-C 3.5Å; M250-L332 HydrophobicContact CE-CB 3.99Å; M250-L332 WeakPolarHBondContact CE-O 3.25Å; R328-L332 HydrophobicContact CG-CD1 4.04Å; R328-L332 WeakPolarHBondContact O-CG 3.45Å; R328-L332 PolarHBondContact O-N 3.39Å; R329-L332 PolarHBondContact O-N 3.25Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 3.35Å; L332-R335 PolarHBondContact O-N 3Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 PolarHBondContact O-N 2.84Å
333L97.8Very high95.7Very high0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-63-51.6176.918058.8000111.6Y282 L289 R329 L330 R335 L336 M337 F363 V367Y282-L333 HydrophobicContact CD1-CD2 4.14Å; Y282-L333 HydrophobicContact CD2-CD1 4.42Å; Y282-L333 HydrophobicContact CE1-CB 4.29Å; Y282-L333 HydrophobicContact CE1-CD2 3.96Å; Y282-L333 HydrophobicContact CE2-CD1 4.06Å; L289-L333 HydrophobicContact CD1-CD2 3.71Å; R329-L333 VanDerWaalsContact O-CB 3.3Å; R329-L333 WeakPolarHBondContact O-CB 3.39Å; R329-L333 PolarHBondContact O-N 2.89Å; L330-L333 PolarHBondContact O-N 2.88Å; L333-R335 VanDerWaalsContact C-N 3.27Å; L333-R335 PolarHBondContact O-N 2.88Å; L333-L336 WeakPolarHBondContact O-CB 3.28Å; L333-L336 PolarHBondContact O-N 3.01Å; L333-L336 VanDerWaalsContact O-N 3.09Å; L333-M337 HydrophobicContact CD1-CG 4.17Å; L333-M337 HydrophobicContact CD1-SD 4.15Å; L333-M337 HydrophobicContact CG-CG 4.43Å; L333-M337 HydrophobicContact CG-SD 3.91Å; L333-M337 VanDerWaalsContact O-CG 3.29Å; L333-M337 WeakPolarHBondContact O-CG 3.23Å; L333-M337 PolarHBondContact O-N 3.09Å; L333-F363 HydrophobicContact CD1-CD1 3.66Å; L333-F363 HydrophobicContact CD1-CD2 4.01Å; L333-F363 HydrophobicContact CD1-CE1 3.75Å; L333-F363 HydrophobicContact CD1-CE2 4.12Å; L333-F363 HydrophobicContact CD1-CG 3.8Å; L333-F363 HydrophobicContact CD1-CZ 4Å; L333-F363 HydrophobicContact CD2-CB 4.2Å; L333-F363 HydrophobicContact CD2-CD1 4.09Å; L333-F363 HydrophobicContact CD2-CG 4.26Å; L333-F363 HydrophobicContact CG-CD1 4.48Å; L333-F363 HydrophobicContact CG-CG 4.48Å; L333-V367 HydrophobicContact CD2-CG2 3.97Å
334L97.6Very high95.3Very high4 Ų435.6 Ų35.62%0.02117%0.174CC..Hα-helixtrans-60.6-38.3179.7-67.1175000112L330 A338 M388 H392L330-L334 HydrophobicContact CD1-CD1 4.12Å; L330-L334 HydrophobicContact CD1-CG 4.18Å; L330-L334 HydrophobicContact CG-CD1 4.02Å; L330-L334 HydrophobicContact CG-CG 4.42Å; L330-L334 WeakPolarHBondContact O-CG 3.16Å; L330-L334 PolarHBondContact O-N 3.48Å; L334-A338 WeakPolarHBondContact O-CB 3.3Å; L334-A338 PolarHBondContact O-N 2.92Å; L334-M388 HydrophobicContact CD1-CB 4.06Å; L334-M388 HydrophobicContact CD1-CE 4.11Å; L334-M388 HydrophobicContact CD2-CB 3.89Å; L334-H392 HydrophobicContact CB-CB 3.83Å; L334-H392 HydrophobicContact CD1-CB 4.49Å
335R96.1Very high94.9Very high51 Ų5142.6 Ų42.619%0.19220%0.199CC..Hα-helixtrans-66.1-42.7173.9-75.8176.8-164.2-153.94.1112.3T230 Q331 L332 L333 R339T230-R335 PolarHBondContact O-NH2 2.87Å; T230-R335 PolarHBondContact OG1-NH1 3.05Å; Q331-R335 WeakPolarHBondContact O-CB 3.44Å; Q331-R335 VanDerWaalsContact O-CG 3.23Å; Q331-R335 WeakPolarHBondContact O-CG 3.27Å; Q331-R335 PolarHBondContact O-N 2.66Å; L332-R335 PolarHBondContact O-N 3Å; L333-R335 VanDerWaalsContact C-N 3.27Å; L333-R335 PolarHBondContact O-N 2.88Å; R335-R339 VanDerWaalsContact O-CB 3.29Å; R335-R339 WeakPolarHBondContact O-CB 3.35Å; R335-R339 WeakPolarHBondContact O-CG 3.46Å; R335-R339 PolarHBondContact O-N 3.22Å
336L96.7Very high94.6Very high5 Ų542.9 Ų42.93%0.02620%0.2CC..Hα-helixtrans-58.4-52.7174.8170.969.3000110.2M250 L253 A254 V278 L332 L333 A338 R339 V340 M359M250-L336 HydrophobicContact CB-CD1 4.27Å; M250-L336 HydrophobicContact CB-CD2 4.15Å; M250-L336 HydrophobicContact CE-CB 3.79Å; M250-L336 HydrophobicContact CE-CD2 3.72Å; M250-L336 HydrophobicContact CE-CG 4.37Å; M250-L336 HydrophobicContact CG-CD2 3.87Å; M250-L336 WeakPolarHBondContact O-CD1 3.49Å; L253-L336 HydrophobicContact CB-CD1 3.88Å; A254-L336 HydrophobicContact CB-CD1 4.08Å; V278-L336 HydrophobicContact CG1-CD2 4.14Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 PolarHBondContact O-N 2.84Å; L333-L336 WeakPolarHBondContact O-CB 3.28Å; L333-L336 PolarHBondContact O-N 3.01Å; L333-L336 VanDerWaalsContact O-N 3.09Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.97Å; L336-R339 PolarHBondContact O-N 2.86Å; L336-V340 HydrophobicContact CD1-CG2 3.78Å; L336-V340 HydrophobicContact CG-CG2 4.34Å; L336-V340 WeakPolarHBondContact O-CB 3.43Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 2.73Å; L336-M359 HydrophobicContact CG-CE 4.34Å
337M97.3Very high94.3Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-55.3-49.5-179.8-66.817171.400110.9L333 C341 M359 V360 F363 V385 M389L333-M337 HydrophobicContact CD1-CG 4.17Å; L333-M337 HydrophobicContact CD1-SD 4.15Å; L333-M337 HydrophobicContact CG-CG 4.43Å; L333-M337 HydrophobicContact CG-SD 3.91Å; L333-M337 VanDerWaalsContact O-CG 3.29Å; L333-M337 WeakPolarHBondContact O-CG 3.23Å; L333-M337 PolarHBondContact O-N 3.09Å; M337-C341 WeakPolarHBondContact O-CB 3.45Å; M337-C341 PolarHBondContact O-N 3.45Å; M337-C341 PolarHBondContact O-SG 3.14Å; M337-M359 HydrophobicContact CB-CE 4.41Å; M337-M359 HydrophobicContact CE-CB 4.04Å; M337-M359 WeakPolarHBondContact CE-O 3.37Å; M337-M359 HydrophobicContact CG-CB 4.38Å; M337-M359 HydrophobicContact CG-CE 4.22Å; M337-V360 HydrophobicContact CE-CG2 4.48Å; M337-F363 HydrophobicContact CE-CB 4.32Å; M337-F363 HydrophobicContact CE-CD2 4.43Å; M337-F363 HydrophobicContact CG-CD2 4.11Å; M337-F363 HydrophobicContact SD-CB 4.14Å; M337-F363 HydrophobicContact SD-CD2 4.13Å; M337-F363 HydrophobicContact SD-CG 4.39Å; M337-V385 HydrophobicContact CE-CG1 3.66Å; M337-V385 HydrophobicContact SD-CG1 4.44Å; M337-M389 HydrophobicContact CB-CG 4.02Å; M337-M389 HydrophobicContact CB-SD 3.72Å; M337-M389 HydrophobicContact CE-SD 3.93Å
338A96Very high94Very high3 Ų348 Ų483%0.02523%0.234CC..Hα-helixtrans-61.6-47.4176.800000112.1L334 L336 V340 C341 H342 M389 H392L334-A338 WeakPolarHBondContact O-CB 3.3Å; L334-A338 PolarHBondContact O-N 2.92Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.97Å; A338-V340 PolarHBondContact O-N 3.09Å; A338-C341 PolarHBondContact O-N 3.33Å; A338-H342 PolarHBondContact O-N 3.3Å; A338-H342 PolarHBondContact O-ND1 3.46Å; A338-M389 HydrophobicContact CB-CG 4.45Å; A338-H392 WeakPolarHBondContact CB-CE1 3.45Å; A338-H392 WeakPolarHBondContact CB-ND1 3.09Å
339R94.6Very high93.8Very high149 Ų14946.3 Ų46.356%0.56223%0.229SC*.Hα-helixtrans-64-41.6-177.6-70.3-76.6-86.2177.7-5.4112.2A254 R335 L336 H342 N343A254-R339 HydrophobicContact CB-CB 4.22Å; R335-R339 VanDerWaalsContact O-CB 3.29Å; R335-R339 WeakPolarHBondContact O-CB 3.35Å; R335-R339 WeakPolarHBondContact O-CG 3.46Å; R335-R339 PolarHBondContact O-N 3.22Å; L336-R339 PolarHBondContact O-N 2.86Å; R339-H342 PolarHBondContact O-N 2.95Å; R339-N343 WeakPolarHBondContact O-CB 3.47Å; R339-N343 PolarHBondContact O-N 2.74Å; R339-N343 VanDerWaalsContact O-N 3.1Å
340V94.6Very high93.6Very high3 Ų346.5 Ų46.52%0.01823%0.233CC..Hα-helixtrans-64.2-44.9176.2162.60000111.3L253 L336 A338 H342 N343 L346 L349 T355 M359L253-V340 HydrophobicContact CB-CG2 4Å; L336-V340 HydrophobicContact CD1-CG2 3.78Å; L336-V340 HydrophobicContact CG-CG2 4.34Å; L336-V340 WeakPolarHBondContact O-CB 3.43Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 2.73Å; A338-V340 PolarHBondContact O-N 3.09Å; V340-H342 VanDerWaalsContact C-N 3.27Å; V340-H342 PolarHBondContact O-N 3Å; V340-N343 PolarHBondContact O-N 2.76Å; V340-L346 HydrophobicContact CB-CD2 4.35Å; V340-L346 HydrophobicContact CG1-CD2 3.63Å; V340-L346 HydrophobicContact CG2-CD2 4.36Å; V340-L349 HydrophobicContact CG1-CD1 3.65Å; V340-T355 HydrophobicContact CG1-CG2 3.7Å; V340-M359 HydrophobicContact CB-CE 3.57Å; V340-M359 HydrophobicContact CG1-CE 3.49Å; V340-M359 VanDerWaalsContact CG1-CE 3.49Å; V340-M359 HydrophobicContact CG1-CG 4.46Å; V340-M359 HydrophobicContact CG1-SD 4.4Å; V340-M359 HydrophobicContact CG2-CE 3.85Å
341C93.9Very high93.3Very high40 Ų4052.4 Ų52.427%0.2727%0.265SS..Hα-helixtrans-65.3-29.8178.9-66.90000113.4M337 A338M337-C341 WeakPolarHBondContact O-CB 3.45Å; M337-C341 PolarHBondContact O-N 3.45Å; M337-C341 PolarHBondContact O-SG 3.14Å; A338-C341 PolarHBondContact O-N 3.33Å
342H92.6Very high93.1Very high150 Ų15058 Ų5869%0.69430%0.299SS*.THydrogen-bonded Turntrans-96.74.1180-6492.5000113.4A338 R339 V340 P344A338-H342 PolarHBondContact O-N 3.3Å; A338-H342 PolarHBondContact O-ND1 3.46Å; R339-H342 PolarHBondContact O-N 2.95Å; V340-H342 VanDerWaalsContact C-N 3.27Å; V340-H342 PolarHBondContact O-N 3Å; H342-P344 WeakPolarHBondContact O-CD 3.25Å
343N91.2Very high93Very high30 Ų3059 Ų5916%0.1631%0.305CS..  trans-89.4106.8-179.4-171.2-9.6000110.7W256 R339 V340 R345 L346W256-N343 PolarHBondContact O-ND2 3.36Å; R339-N343 WeakPolarHBondContact O-CB 3.47Å; R339-N343 PolarHBondContact O-N 2.74Å; R339-N343 VanDerWaalsContact O-N 3.1Å; V340-N343 PolarHBondContact O-N 2.76Å; N343-R345 PolarHBondContact O-N 3.35Å; N343-R345 WeakPolarHBondContact OD1-CB 2.89Å; N343-R345 PolarHBondContact OD1-N 2.95Å; N343-L346 HydrophobicContact CB-CB 4.19Å; N343-L346 PolarHBondContact O-N 2.96Å
344P86.7Confident92.8Very high124 Ų12462.1 Ų62.181%0.80533%0.33SS*.THydrogen-bonded Turntrans-72.9-14.5-179.431.8-36.7000113.2H342H342-P344 WeakPolarHBondContact O-CD 3.25Å
345R88.5Confident92.6Very high158 Ų15863.6 Ų63.660%0.59634%0.34SS*.THydrogen-bonded Turntrans-91.6-9.1-178-61.7-177.1178.1173.9-2113.2W256 E258 N343W256-R345 PolarHBondContact NE1-O 2.81Å; E258-R345 IonicContact OE1-CZ 2.72Å; E258-R345 IonicContact OE1-NH1 3.68Å; E258-R345 PolarHBondContact OE1-NH1 3.44Å; N343-R345 PolarHBondContact O-N 3.35Å; N343-R345 WeakPolarHBondContact OD1-CB 2.89Å; N343-R345 PolarHBondContact OD1-N 2.95Å
346L89.3Confident92.6Very high21 Ų2166.3 Ų66.311%0.1135%0.35CS..SBendtrans-81.4129.5179.5-17271.8000109.7W256 E271 V340 N343 L349W256-L346 HydrophobicContact CB-CD1 3.67Å; W256-L346 HydrophobicContact CD2-CD1 3.75Å; W256-L346 HydrophobicContact CE3-CD1 4.36Å; W256-L346 HydrophobicContact CG-CD1 3.41Å; W256-L346 VanDerWaalsContact CG-CD1 3.41Å; E271-L346 HydrophobicContact CB-CD1 4.24Å; V340-L346 HydrophobicContact CB-CD2 4.35Å; V340-L346 HydrophobicContact CG1-CD2 3.63Å; V340-L346 HydrophobicContact CG2-CD2 4.36Å; N343-L346 HydrophobicContact CB-CB 4.19Å; N343-L346 PolarHBondContact O-N 2.96Å; L346-L349 HydrophobicContact CD2-CD1 3.96Å; L346-L349 HydrophobicContact CD2-CD2 4.07Å; L346-L349 HydrophobicContact CD2-CG 4.16Å; L346-L349 HydrophobicContact CG-CD2 4.31Å
347P89.1Confident92.5Very high48 Ų4869.3 Ų69.331%0.31237%0.368SS..PPolyproline II helixtrans-59.6158.1173.7-23.233.6000112.6L349P347-L349 PolarHBondContact O-N 2.9Å; P347-L349 VanDerWaalsContact O-N 3.15Å
348P89.4Confident92.5Very high84 Ų8470.1 Ų70.155%0.54537%0.373SS..PPolyproline II helixtrans-57.3118.9172.7-22.533.2000111.6R272 N350R272-P348 PolarHBondContact NE-O 2.86Å; R272-P348 PolarHBondContact NH2-O 2.7Å; P348-N350 PolarHBondContact O-N 3.09Å
349L91.8Very high92.5Very high9 Ų970 Ų705%0.04737%0.372CS..SBendtrans-73.3-16.2-179.1-60.3176.6000112.8E271 L275 V340 L346 P347 T355 L358E271-L349 HydrophobicContact CB-CD2 4Å; E271-L349 HydrophobicContact CG-CD2 3.52Å; L275-L349 HydrophobicContact CD2-CB 4.14Å; L275-L349 HydrophobicContact CD2-CD1 3.76Å; L275-L349 HydrophobicContact CD2-CG 4.39Å; V340-L349 HydrophobicContact CG1-CD1 3.65Å; L346-L349 HydrophobicContact CD2-CD1 3.96Å; L346-L349 HydrophobicContact CD2-CD2 4.07Å; L346-L349 HydrophobicContact CD2-CG 4.16Å; L346-L349 HydrophobicContact CG-CD2 4.31Å; P347-L349 PolarHBondContact O-N 2.9Å; P347-L349 VanDerWaalsContact O-N 3.15Å; L349-T355 HydrophobicContact CD1-CG2 3.76Å; L349-T355 HydrophobicContact CG-CG2 4.37Å; L349-L358 HydrophobicContact CB-CD2 3.71Å
350N92.4Very high92.6Very high49 Ų4963.1 Ų63.126%0.26235%0.346SS..  trans-146146174.3-172.8-70.7000108.9P348 T352 I353 L358P348-N350 PolarHBondContact O-N 3.09Å; N350-T352 WeakPolarHBondContact OD1-CA 3.14Å; N350-T352 PolarHBondContact OD1-N 3.22Å; N350-T352 PolarHBondContact OD1-OG1 3.47Å; N350-I353 HydrophobicContact CB-CB 4.5Å; N350-I353 PolarHBondContact OD1-N 3.27Å; N350-L358 HydrophobicContact CB-CD1 4.44Å; N350-L358 HydrophobicContact CB-CD2 3.94Å
351D90.1Very high92.6Very high128 Ų12867.5 Ų67.568%0.68437%0.367SS*.SBendtrans-81.8-18.1-176-59.1-50.3000113.3R272R272-D351 IonicContact CZ-OD1 3.23Å; R272-D351 IonicContact CZ-OD2 3.39Å; R272-D351 IonicContact NH1-OD1 3.11Å; R272-D351 PolarHBondContact NH1-OD1 2.85Å; R272-D351 IonicContact NH1-OD2 3.66Å; R272-D351 PolarHBondContact NH1-OD2 2.59Å; R272-D351 IonicContact NH2-OD1 3.13Å; R272-D351 PolarHBondContact NH2-OD1 3.05Å; R272-D351 IonicContact NH2-OD2 3.01Å
352T93.5Very high92.6Very high125 Ų12567.9 Ų67.977%0.76737%0.365SS*.SBendtrans-114.8-35.7-173.159.40000113.2N350N350-T352 WeakPolarHBondContact OD1-CA 3.14Å; N350-T352 PolarHBondContact OD1-N 3.22Å; N350-T352 PolarHBondContact OD1-OG1 3.47Å
353I94Very high92.8Very high58 Ų5860.8 Ų60.830%0.29733%0.332SS..SBendtrans-109.2133.7-172.8-59.1168.6000109.4N350 T357 L358N350-I353 HydrophobicContact CB-CB 4.5Å; N350-I353 PolarHBondContact OD1-N 3.27Å; I353-T357 HydrophobicContact CG2-CG2 3.74Å; I353-L358 HydrophobicContact CG2-CB 4.21Å
354A93.9Very high93Very high65 Ų6559.4 Ų59.454%0.53733%0.325SS..  trans-58.9140.6174.400000111.3R356 T357 L358A354-R356 PolarHBondContact O-N 2.88Å; A354-T357 PolarHBondContact O-N 3.29Å; A354-L358 PolarHBondContact O-N 3.26Å
355T94.1Very high93.2Very high36 Ų3657.5 Ų57.522%0.22131%0.305CS..Hα-helixtrans-49-40.3-178-55.50000112.9V340 L349 L358 M359V340-T355 HydrophobicContact CG1-CG2 3.7Å; L349-T355 HydrophobicContact CD1-CG2 3.76Å; L349-T355 HydrophobicContact CG-CG2 4.37Å; T355-L358 PolarHBondContact O-N 3.22Å; T355-M359 HydrophobicContact CG2-CG 4.44Å; T355-M359 VanDerWaalsContact O-CG 3.25Å; T355-M359 WeakPolarHBondContact O-CG 3.3Å; T355-M359 PolarHBondContact O-N 3.34Å
356R94.8Very high93.5Very high107 Ų10750.6 Ų50.640%0.40428%0.28SS..Hα-helixtrans-60.4-51.1177.4-171.7-173.1177.9-170.7-0.8112.5A354 L358 M359 V360 T386 M389 E390A354-R356 PolarHBondContact O-N 2.88Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-M359 PolarHBondContact O-N 3.26Å; R356-V360 WeakPolarHBondContact O-CG2 3.42Å; R356-V360 PolarHBondContact O-N 3.21Å; R356-V360 VanDerWaalsContact O-N 3.14Å; R356-T386 VanDerWaalsContact NH2-CG2 3.32Å; R356-M389 HydrophobicContact CG-CE 3.73Å; R356-E390 IonicContact CZ-OE1 3.7Å; R356-E390 IonicContact NH1-OE1 3.85Å; R356-E390 IonicContact NH2-OE1 2.73Å; R356-E390 PolarHBondContact NH2-OE1 2.92Å
357T95.4Very high93.9Very high68 Ų6849.6 Ų49.642%0.41728%0.275SS..Hα-helixtrans-63.5-42.5179.7-54.30000110.5I353 A354 M359 V360 Q361I353-T357 HydrophobicContact CG2-CG2 3.74Å; A354-T357 PolarHBondContact O-N 3.29Å; T357-M359 PolarHBondContact O-N 2.92Å; T357-V360 PolarHBondContact O-N 3.45Å; T357-Q361 HydrophobicContact CG2-CG 4.36Å; T357-Q361 WeakPolarHBondContact O-CB 3.42Å; T357-Q361 WeakPolarHBondContact O-CG 3.39Å; T357-Q361 PolarHBondContact O-N 2.97Å
358L96Very high94.1Very high18 Ų1847.3 Ų47.39%0.09426%0.261CS..Hα-helixtrans-57.1-48.9175.4179.970.2000111.6L275 L349 N350 I353 A354 T355 R356 V360 Q361 M362L275-L358 HydrophobicContact CD2-CD2 3.91Å; L349-L358 HydrophobicContact CB-CD2 3.71Å; N350-L358 HydrophobicContact CB-CD1 4.44Å; N350-L358 HydrophobicContact CB-CD2 3.94Å; I353-L358 HydrophobicContact CG2-CB 4.21Å; A354-L358 PolarHBondContact O-N 3.26Å; T355-L358 PolarHBondContact O-N 3.22Å; R356-L358 VanDerWaalsContact C-N 3.33Å; L358-V360 PolarHBondContact O-N 3.28Å; L358-Q361 PolarHBondContact O-N 3.42Å; L358-M362 HydrophobicContact CD1-CE 3.84Å; L358-M362 HydrophobicContact CD2-CE 4.45Å; L358-M362 HydrophobicContact CG-CE 4.02Å; L358-M362 WeakPolarHBondContact O-CB 3.37Å; L358-M362 PolarHBondContact O-N 2.95Å
359M96.4Very high94.2Very high0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-60.9-44.4-179.8-72.4-59.5-118.800111.8L275 L336 M337 V340 T355 R356 T357 F363L275-M359 HydrophobicContact CD1-CE 4.13Å; L275-M359 HydrophobicContact CD1-SD 3.78Å; L336-M359 HydrophobicContact CG-CE 4.34Å; M337-M359 HydrophobicContact CB-CE 4.41Å; M337-M359 HydrophobicContact CE-CB 4.04Å; M337-M359 WeakPolarHBondContact CE-O 3.37Å; M337-M359 HydrophobicContact CG-CB 4.38Å; M337-M359 HydrophobicContact CG-CE 4.22Å; V340-M359 HydrophobicContact CB-CE 3.57Å; V340-M359 HydrophobicContact CG1-CE 3.49Å; V340-M359 VanDerWaalsContact CG1-CE 3.49Å; V340-M359 HydrophobicContact CG1-CG 4.46Å; V340-M359 HydrophobicContact CG1-SD 4.4Å; V340-M359 HydrophobicContact CG2-CE 3.85Å; T355-M359 HydrophobicContact CG2-CG 4.44Å; T355-M359 VanDerWaalsContact O-CG 3.25Å; T355-M359 WeakPolarHBondContact O-CG 3.3Å; T355-M359 PolarHBondContact O-N 3.34Å; R356-M359 PolarHBondContact O-N 3.26Å; T357-M359 PolarHBondContact O-N 2.92Å; M359-F363 HydrophobicContact CE-CE2 4.47Å; M359-F363 VanDerWaalsContact O-CD2 3.32Å; M359-F363 WeakPolarHBondContact O-CD2 3.48Å; M359-F363 PolarHBondContact O-N 3.16Å; M359-F363 HydrophobicContact SD-CD2 4.36Å; M359-F363 HydrophobicContact SD-CE2 3.88Å
360V96.6Very high94.1Very high5 Ų543.7 Ų43.73%0.0324%0.239CC..Hα-helixtrans-64.9-51178.9176.20000110.5M337 R356 T357 L358 M362 F363 S364 T382 T386 M389M337-V360 HydrophobicContact CE-CG2 4.48Å; R356-V360 WeakPolarHBondContact O-CG2 3.42Å; R356-V360 PolarHBondContact O-N 3.21Å; R356-V360 VanDerWaalsContact O-N 3.14Å; T357-V360 PolarHBondContact O-N 3.45Å; L358-V360 PolarHBondContact O-N 3.28Å; V360-M362 VanDerWaalsContact C-N 3.28Å; V360-M362 PolarHBondContact O-N 3.42Å; V360-F363 PolarHBondContact O-N 3.48Å; V360-S364 VanDerWaalsContact O-CB 3.32Å; V360-S364 WeakPolarHBondContact O-CB 3.31Å; V360-S364 PolarHBondContact O-N 2.97Å; V360-S364 PolarHBondContact O-OG 3.41Å; V360-T382 HydrophobicContact CG1-CG2 3.7Å; V360-T386 WeakPolarHBondContact CG1-OG1 3.42Å; V360-M389 HydrophobicContact CG2-CE 3.84Å; V360-M389 HydrophobicContact CG2-SD 4.49Å
361Q94.1Very high93.6Very high95 Ų9545.5 Ų45.544%0.44425%0.253SS..Hα-helixtrans-58.6-41.3179.7-73.4177.3-32.400112.1T357 L358 F363T357-Q361 HydrophobicContact CG2-CG 4.36Å; T357-Q361 WeakPolarHBondContact O-CB 3.42Å; T357-Q361 WeakPolarHBondContact O-CG 3.39Å; T357-Q361 PolarHBondContact O-N 2.97Å; L358-Q361 PolarHBondContact O-N 3.42Å; Q361-F363 PolarHBondContact O-N 3.17Å
362M95.1Very high93.1Very high47 Ų4745.9 Ų45.923%0.23226%0.255CS..Hα-helixtrans-68.1-33.7-176.4-174.9173.1-69.500113.9L275 A279 L358 V360L275-M362 HydrophobicContact CD1-SD 4.01Å; L275-M362 HydrophobicContact CD2-CE 3.93Å; L275-M362 HydrophobicContact CD2-SD 3.98Å; L275-M362 HydrophobicContact CG-CE 4.27Å; L275-M362 HydrophobicContact CG-SD 3.8Å; A279-M362 HydrophobicContact CB-CG 3.68Å; A279-M362 HydrophobicContact CB-SD 3.49Å; A279-M362 WeakPolarHBondContact CB-SD 3.44Å; L358-M362 HydrophobicContact CD1-CE 3.84Å; L358-M362 HydrophobicContact CD2-CE 4.45Å; L358-M362 HydrophobicContact CG-CE 4.02Å; L358-M362 WeakPolarHBondContact O-CB 3.37Å; L358-M362 PolarHBondContact O-N 2.95Å; V360-M362 VanDerWaalsContact C-N 3.28Å; V360-M362 PolarHBondContact O-N 3.42Å
363F96.7Very high92Very high1 Ų146 Ų460%0.00425%0.251CS..Hα-helixtrans-112.2-4.1-171.8-67.7-66.7000114.4L275 V278 A279 Y282 L333 M337 M359 V360 Q361 H365 C366 V367L275-F363 HydrophobicContact CD1-CE2 4.26Å; L275-F363 HydrophobicContact CD1-CZ 4.38Å; V278-F363 HydrophobicContact CG1-CE1 4.39Å; V278-F363 HydrophobicContact CG1-CZ 4.14Å; A279-F363 HydrophobicContact CB-CE1 4.42Å; A279-F363 HydrophobicContact CB-CZ 4.41Å; Y282-F363 HydrophobicContact CD2-CD1 4.38Å; Y282-F363 AromaticContact CD2-CE1 3.83Å; Y282-F363 HydrophobicContact CD2-CE1 3.83Å; Y282-F363 HydrophobicContact CG-CD1 4.37Å; Y282-F363 HydrophobicContact CG-CE1 4.22Å; L333-F363 HydrophobicContact CD1-CD1 3.66Å; L333-F363 HydrophobicContact CD1-CD2 4.01Å; L333-F363 HydrophobicContact CD1-CE1 3.75Å; L333-F363 HydrophobicContact CD1-CE2 4.12Å; L333-F363 HydrophobicContact CD1-CG 3.8Å; L333-F363 HydrophobicContact CD1-CZ 4Å; L333-F363 HydrophobicContact CD2-CB 4.2Å; L333-F363 HydrophobicContact CD2-CD1 4.09Å; L333-F363 HydrophobicContact CD2-CG 4.26Å; L333-F363 HydrophobicContact CG-CD1 4.48Å; L333-F363 HydrophobicContact CG-CG 4.48Å; M337-F363 HydrophobicContact CE-CB 4.32Å; M337-F363 HydrophobicContact CE-CD2 4.43Å; M337-F363 HydrophobicContact CG-CD2 4.11Å; M337-F363 HydrophobicContact SD-CB 4.14Å; M337-F363 HydrophobicContact SD-CD2 4.13Å; M337-F363 HydrophobicContact SD-CG 4.39Å; M359-F363 HydrophobicContact CE-CE2 4.47Å; M359-F363 VanDerWaalsContact O-CD2 3.32Å; M359-F363 WeakPolarHBondContact O-CD2 3.48Å; M359-F363 PolarHBondContact O-N 3.16Å; M359-F363 HydrophobicContact SD-CD2 4.36Å; M359-F363 HydrophobicContact SD-CE2 3.88Å; V360-F363 PolarHBondContact O-N 3.48Å; Q361-F363 PolarHBondContact O-N 3.17Å; F363-H365 PolarHBondContact O-N 2.95Å; F363-C366 PolarHBondContact O-N 3Å; F363-C366 PolarHBondContact O-SG 3.42Å; F363-V367 WeakPolarHBondContact O-CG2 3.34Å; F363-V367 PolarHBondContact O-N 2.83Å
364S94.9Very high91.1Very high1 Ų148.6 Ų48.61%0.00726%0.263CS..Hα-helixtrans-59.8-51.6-176.6-71.80000112.8V360 C366 V367 L368 T382V360-S364 VanDerWaalsContact O-CB 3.32Å; V360-S364 WeakPolarHBondContact O-CB 3.31Å; V360-S364 PolarHBondContact O-N 2.97Å; V360-S364 PolarHBondContact O-OG 3.41Å; S364-C366 VanDerWaalsContact C-N 3.31Å; S364-C366 PolarHBondContact O-N 2.93Å; S364-V367 PolarHBondContact O-N 2.83Å; S364-L368 PolarHBondContact O-N 3.37Å; S364-T382 WeakPolarHBondContact OG-CA 3.46Å
365H91.9Very high90.2Very high85 Ų8553 Ų5339%0.39428%0.278SS..Hα-helixtrans-61.6-34.1-179.3-70.4-82.4000113.8F363 V367F363-H365 PolarHBondContact O-N 2.95Å; H365-V367 VanDerWaalsContact C-N 3.27Å; H365-V367 PolarHBondContact O-N 3.2Å
366C94.6Very high89.5Confident12 Ų1256.2 Ų56.28%0.08129%0.293CS..Hα-helixtrans-76.2-16.8177.577.80000112.8P288 L289 F363 S364P288-C366 CarbonylContact C-O 3.55Å; P288-C366 VanDerWaalsContact CA-O 3.3Å; P288-C366 WeakPolarHBondContact CA-O 3.38Å; L289-C366 WeakPolarHBondContact CG-O 3.27Å; L289-C366 PolarHBondContact N-O 3.38Å; F363-C366 PolarHBondContact O-N 3Å; F363-C366 PolarHBondContact O-SG 3.42Å; S364-C366 VanDerWaalsContact C-N 3.31Å; S364-C366 PolarHBondContact O-N 2.93Å
367V96.4Very high89.1Confident0 Ų051.1 Ų51.10%027%0.274CS..Hα-helixtrans-89.2-52.3178.3174.90000110.4L289 L290 L330 L333 F363 S364 H365 V385L289-V367 HydrophobicContact CD1-CG2 4.17Å; L290-V367 VanDerWaalsContact CB-O 3.25Å; L290-V367 WeakPolarHBondContact CB-O 3.25Å; L290-V367 HydrophobicContact CD1-CG1 3.72Å; L290-V367 HydrophobicContact CG-CG1 3.83Å; L290-V367 WeakPolarHBondContact CG-O 3.29Å; L290-V367 PolarHBondContact N-O 3.46Å; L330-V367 HydrophobicContact CD1-CG1 3.88Å; L330-V367 HydrophobicContact CD1-CG2 4.19Å; L333-V367 HydrophobicContact CD2-CG2 3.97Å; F363-V367 WeakPolarHBondContact O-CG2 3.34Å; F363-V367 PolarHBondContact O-N 2.83Å; S364-V367 PolarHBondContact O-N 2.83Å; H365-V367 VanDerWaalsContact C-N 3.27Å; H365-V367 PolarHBondContact O-N 3.2Å; V367-V385 HydrophobicContact CB-CG2 3.62Å; V367-V385 HydrophobicContact CG1-CG2 3.67Å; V367-V385 HydrophobicContact CG2-CG2 3.96Å
368L95Very high88.7Confident1 Ų152.7 Ų52.71%0.00528%0.277CS..SBendtrans-131.5131.1-179.4-174.975.4000109.4L290 Y295 F298 S364 L380 A381 L384L290-L368 HydrophobicContact CD1-CB 4.31Å; L290-L368 HydrophobicContact CD1-CD1 4.13Å; Y295-L368 HydrophobicContact CD2-CD1 3.73Å; Y295-L368 HydrophobicContact CD2-CG 4.11Å; Y295-L368 HydrophobicContact CE2-CD1 4.23Å; Y295-L368 HydrophobicContact CE2-CG 4.14Å; F298-L368 HydrophobicContact CB-CD1 3.95Å; S364-L368 PolarHBondContact O-N 3.37Å; L368-L380 HydrophobicContact CD2-CB 4.35Å; L368-A381 HydrophobicContact CB-CB 3.9Å; L368-A381 HydrophobicContact CD2-CB 4.33Å; L368-A381 WeakPolarHBondContact O-CB 3.23Å; L368-L384 HydrophobicContact CB-CD2 4.48Å; L368-L384 HydrophobicContact CD1-CD2 4.48Å; L368-L384 HydrophobicContact CD2-CD2 3.94Å
369G91.1Very high88.5Confident6 Ų657.5 Ų57.56%0.06230%0.302CS..  trans-165145.6172.300000109.6F292 Y295F292-G369 WeakPolarHBondContact CD1-O 3.43Å; Y295-G369 WeakPolarHBondContact CD2-O 3.27Å
370S88.6Confident88.4Confident11 Ų1159 Ų598%0.07731%0.31CS..  trans-78.9161171.175.90000109.9D372 D373 D377S370-D372 PolarHBondContact O-N 3.36Å; S370-D372 PolarHBondContact OG-N 3.15Å; S370-D373 PolarHBondContact OG-N 2.88Å; S370-D377 WeakPolarHBondContact CB-OD2 3.47Å; S370-D377 PolarHBondContact N-OD2 3.04Å; S370-D377 PolarHBondContact OG-OD2 2.95Å
371P81.5Confident88.4Confident87 Ų8758.8 Ų58.857%0.56531%0.308SS*.THydrogen-bonded Turntrans-66.2-19.5175.526.3-34.3000113.6F292F292-P371 HydrophobicContact CD1-CB 4.15Å; F292-P371 HydrophobicContact CE1-CB 4.27Å; F292-P371 HydrophobicContact CG-CB 4.42Å
372D80.1Confident88.4Confident135 Ų13556.1 Ų56.172%0.72230%0.299SS*.THydrogen-bonded Turntrans-100.56.4-174-61.1-45000113.2S370S370-D372 PolarHBondContact O-N 3.36Å; S370-D372 PolarHBondContact OG-N 3.15Å
373D70.5Confident88.5Confident127 Ų12759.3 Ų59.368%0.67931%0.311SS*.  trans47.565.3176-115.7-7.3000112.7S370S370-D373 PolarHBondContact OG-N 2.88Å
374M75.8Confident88.5Confident113 Ų11359.3 Ų59.356%0.55731%0.311SS*.  trans-84.9142-177.4-61.1-169.969.500111.8L376 D377M374-L376 PolarHBondContact O-N 3.45Å; M374-D377 PolarHBondContact N-OD2 3.1Å; M374-D377 WeakPolarHBondContact O-CB 3.5Å; M374-D377 PolarHBondContact O-N 3.18Å
375D74.1Confident88.6Confident159 Ų15959.2 Ų59.285%0.8531%0.311SS*.Hα-helixtrans-55.6-29.7177.6-65-32.8000113.6D377D375-D377 VanDerWaalsContact C-N 3.25Å; D375-D377 PolarHBondContact O-N 2.86Å
376L80.8Confident88.9Confident102 Ų10257 Ų5753%0.53430%0.303SS..Hα-helixtrans-68.1-25.8177.5-174.360.4000112.4M374 E378 L379 L380M374-L376 PolarHBondContact O-N 3.45Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 3.01Å; L376-L379 HydrophobicContact CD1-CD2 4.43Å; L376-L379 PolarHBondContact O-N 2.71Å; L376-L380 HydrophobicContact CD1-CG 4.49Å; L376-L380 HydrophobicContact CD2-CD1 4.24Å; L376-L380 HydrophobicContact CG-CD1 3.92Å; L376-L380 HydrophobicContact CG-CG 4.05Å; L376-L380 WeakPolarHBondContact O-CG 3.46Å; L376-L380 PolarHBondContact O-N 3.39Å; L376-L380 VanDerWaalsContact O-N 3.1Å
377D84.8Confident89Confident1 Ų157 Ų571%0.00530%0.302CS..Hα-helixtrans-62.4-36.7-177.3-70.1-22.2000112Y295 S370 M374 D375 L379 L380 A381Y295-D377 PolarHBondContact OH-OD1 2.81Å; S370-D377 WeakPolarHBondContact CB-OD2 3.47Å; S370-D377 PolarHBondContact N-OD2 3.04Å; S370-D377 PolarHBondContact OG-OD2 2.95Å; M374-D377 PolarHBondContact N-OD2 3.1Å; M374-D377 WeakPolarHBondContact O-CB 3.5Å; M374-D377 PolarHBondContact O-N 3.18Å; D375-D377 VanDerWaalsContact C-N 3.25Å; D375-D377 PolarHBondContact O-N 2.86Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 3.06Å; D377-L380 PolarHBondContact O-N 3.26Å; D377-A381 WeakPolarHBondContact O-CB 3.5Å; D377-A381 PolarHBondContact O-N 2.96Å
378E88.5Confident89.1Confident100 Ų10057 Ų5747%0.46730%0.302SS..Hα-helixtrans-59.9-44.1178.9-174.7174.9-178.700111L376 T382L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 3.01Å; E378-T382 WeakPolarHBondContact O-CB 3.36Å; E378-T382 PolarHBondContact O-N 3.32Å; E378-T382 PolarHBondContact O-OG1 3.02Å
379L91.9Very high89.1Confident119 Ų11957.4 Ų57.462%0.62330%0.304SS*.Hα-helixtrans-68.6-44.3179-176.866.3000111.6L376 D377 K383L376-L379 HydrophobicContact CD1-CD2 4.43Å; L376-L379 PolarHBondContact O-N 2.71Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 3.06Å; L379-K383 WeakPolarHBondContact O-CB 3.48Å; L379-K383 PolarHBondContact O-N 3.5Å
380L94.2Very high89.4Confident32 Ų3262 Ų6217%0.16832%0.323CS..Hα-helixtrans-63.1-46.6178.8-64.5176.3000110.9V299 L302 L368 L376 D377 K383 L384V299-L380 HydrophobicContact CG1-CD1 4.36Å; V299-L380 HydrophobicContact CG2-CD1 4.19Å; L302-L380 HydrophobicContact CD1-CB 3.73Å; L302-L380 HydrophobicContact CD1-CD2 3.5Å; L302-L380 HydrophobicContact CD1-CG 4.13Å; L368-L380 HydrophobicContact CD2-CB 4.35Å; L376-L380 HydrophobicContact CD1-CG 4.49Å; L376-L380 HydrophobicContact CD2-CD1 4.24Å; L376-L380 HydrophobicContact CG-CD1 3.92Å; L376-L380 HydrophobicContact CG-CG 4.05Å; L376-L380 WeakPolarHBondContact O-CG 3.46Å; L376-L380 PolarHBondContact O-N 3.39Å; L376-L380 VanDerWaalsContact O-N 3.1Å; D377-L380 PolarHBondContact O-N 3.26Å; L380-K383 PolarHBondContact O-N 3.34Å; L380-L384 WeakPolarHBondContact O-CB 3.37Å; L380-L384 PolarHBondContact O-N 2.9Å
381A95.2Very high89.7Confident0 Ų063.3 Ų63.30%033%0.328CS..Hα-helixtrans-63.6-47.2178.100000111.1L368 D377 K383 L384 V385L368-A381 HydrophobicContact CB-CB 3.9Å; L368-A381 HydrophobicContact CD2-CB 4.33Å; L368-A381 WeakPolarHBondContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.5Å; D377-A381 PolarHBondContact O-N 2.96Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 3.36Å; A381-L384 PolarHBondContact O-N 3.27Å; A381-V385 VanDerWaalsContact O-CB 3.28Å; A381-V385 WeakPolarHBondContact O-CB 3.29Å; A381-V385 VanDerWaalsContact O-CG2 3.27Å; A381-V385 WeakPolarHBondContact O-CG2 3.28Å; A381-V385 PolarHBondContact O-N 3.3Å
382T95.3Very high90.3Very high39 Ų3961.4 Ų61.424%0.23931%0.312CS..Hα-helixtrans-55.8-47.5176.4-65.50000111.3V360 S364 E378 T386V360-T382 HydrophobicContact CG1-CG2 3.7Å; S364-T382 WeakPolarHBondContact OG-CA 3.46Å; E378-T382 WeakPolarHBondContact O-CB 3.36Å; E378-T382 PolarHBondContact O-N 3.32Å; E378-T382 PolarHBondContact O-OG1 3.02Å; T382-T386 VanDerWaalsContact O-CB 3.28Å; T382-T386 WeakPolarHBondContact O-CB 3.48Å; T382-T386 PolarHBondContact O-N 3.05Å; T382-T386 PolarHBondContact O-OG1 3.48Å
383K96.2Very high90.9Very high115 Ų11556.6 Ų56.650%0.530%0.295SS..Hα-helixtrans-64.2-46.4179.5-169.2-178.6-177.1-169.20111.7L302 L305 L379 L380 A381 F387L302-K383 HydrophobicContact CD2-CB 4.28Å; L302-K383 HydrophobicContact CD2-CD 4.28Å; L302-K383 HydrophobicContact CD2-CG 4.26Å; L305-K383 HydrophobicContact CD1-CD 4.17Å; L305-K383 HydrophobicContact CD1-CG 3.9Å; L379-K383 WeakPolarHBondContact O-CB 3.48Å; L379-K383 PolarHBondContact O-N 3.5Å; L380-K383 PolarHBondContact O-N 3.34Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 3.36Å; K383-F387 PolarHBondContact O-N 3.48Å
384L97.3Very high92Very high0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-63.6-50.9179.8-174.962.9000111.4L290 F298 L302 L315 L368 L380 A381 T386 F387 M388L290-L384 HydrophobicContact CD1-CD2 3.73Å; F298-L384 HydrophobicContact CB-CD2 3.92Å; F298-L384 HydrophobicContact CD1-CD2 4.25Å; F298-L384 HydrophobicContact CG-CD2 4.42Å; L302-L384 HydrophobicContact CD2-CB 3.72Å; L302-L384 HydrophobicContact CD2-CD1 4.01Å; L302-L384 HydrophobicContact CD2-CG 4.44Å; L315-L384 HydrophobicContact CD2-CD1 4.16Å; L368-L384 HydrophobicContact CB-CD2 4.48Å; L368-L384 HydrophobicContact CD1-CD2 4.48Å; L368-L384 HydrophobicContact CD2-CD2 3.94Å; L380-L384 WeakPolarHBondContact O-CB 3.37Å; L380-L384 PolarHBondContact O-N 2.9Å; A381-L384 PolarHBondContact O-N 3.27Å; L384-T386 VanDerWaalsContact C-N 3.31Å; L384-T386 PolarHBondContact O-N 3.4Å; L384-F387 WeakPolarHBondContact O-CB 3.39Å; L384-F387 PolarHBondContact O-N 2.82Å; L384-F387 VanDerWaalsContact O-N 3.16Å; L384-M388 HydrophobicContact CD1-CG 4.29Å; L384-M388 HydrophobicContact CD1-SD 4.24Å; L384-M388 HydrophobicContact CD2-SD 4.16Å; L384-M388 HydrophobicContact CG-CG 4.22Å; L384-M388 HydrophobicContact CG-SD 3.81Å; L384-M388 WeakPolarHBondContact O-CG 3.26Å; L384-M388 PolarHBondContact O-N 3.43Å
385V97.3Very high92.9Very high0 Ų047.1 Ų47.10%025%0.25CS..Hα-helixtrans-64.7-37.4-176.6171.90000111.3M337 V367 A381 F387 M388 M389M337-V385 HydrophobicContact CE-CG1 3.66Å; M337-V385 HydrophobicContact SD-CG1 4.44Å; V367-V385 HydrophobicContact CB-CG2 3.62Å; V367-V385 HydrophobicContact CG1-CG2 3.67Å; V367-V385 HydrophobicContact CG2-CG2 3.96Å; A381-V385 VanDerWaalsContact O-CB 3.28Å; A381-V385 WeakPolarHBondContact O-CB 3.29Å; A381-V385 VanDerWaalsContact O-CG2 3.27Å; A381-V385 WeakPolarHBondContact O-CG2 3.28Å; A381-V385 PolarHBondContact O-N 3.3Å; V385-F387 VanDerWaalsContact C-N 3.33Å; V385-F387 PolarHBondContact O-N 3.19Å; V385-M388 PolarHBondContact O-N 3.27Å; V385-M389 VanDerWaalsContact O-CB 3.25Å; V385-M389 WeakPolarHBondContact O-CB 3.46Å; V385-M389 PolarHBondContact O-N 3.4Å
386T97Very high93.6Very high37 Ų3739.8 Ų39.823%0.22721%0.212CC..Hα-helixtrans-56.2-49.6173.1-60.90000110.9R356 V360 T382 L384 M389 E390R356-T386 VanDerWaalsContact NH2-CG2 3.32Å; V360-T386 WeakPolarHBondContact CG1-OG1 3.42Å; T382-T386 VanDerWaalsContact O-CB 3.28Å; T382-T386 WeakPolarHBondContact O-CB 3.48Å; T382-T386 PolarHBondContact O-N 3.05Å; T382-T386 PolarHBondContact O-OG1 3.48Å; L384-T386 VanDerWaalsContact C-N 3.31Å; L384-T386 PolarHBondContact O-N 3.4Å; T386-M389 PolarHBondContact O-N 3.29Å; T386-E390 WeakPolarHBondContact O-CG 3.38Å; T386-E390 PolarHBondContact O-N 3.35Å
387F97.7Very high93.9Very high14 Ų1440.8 Ų40.86%0.06121%0.214CC..Hα-helixtrans-65.5-44.5177.9-175.2-91.5000112.3L305 Q308 A311 I312 L315 K383 L384 V385 M389 E390 H391L305-F387 HydrophobicContact CD1-CB 4.41Å; L305-F387 HydrophobicContact CD2-CB 4.1Å; L305-F387 HydrophobicContact CD2-CD1 3.62Å; L305-F387 HydrophobicContact CD2-CD2 3.89Å; L305-F387 HydrophobicContact CD2-CE1 3.95Å; L305-F387 HydrophobicContact CD2-CE2 4.19Å; L305-F387 HydrophobicContact CD2-CG 3.59Å; L305-F387 HydrophobicContact CD2-CZ 4.22Å; Q308-F387 HydrophobicContact CG-CE2 4.29Å; A311-F387 HydrophobicContact CB-CE1 3.83Å; A311-F387 HydrophobicContact CB-CZ 3.69Å; I312-F387 HydrophobicContact CG1-CE1 4.18Å; I312-F387 HydrophobicContact CG1-CZ 4.15Å; L315-F387 HydrophobicContact CD1-CD1 3.73Å; L315-F387 HydrophobicContact CD1-CE1 3.72Å; K383-F387 PolarHBondContact O-N 3.48Å; L384-F387 WeakPolarHBondContact O-CB 3.39Å; L384-F387 PolarHBondContact O-N 2.82Å; L384-F387 VanDerWaalsContact O-N 3.16Å; V385-F387 VanDerWaalsContact C-N 3.33Å; V385-F387 PolarHBondContact O-N 3.19Å; F387-M389 VanDerWaalsContact C-N 3.29Å; F387-M389 PolarHBondContact O-N 3.32Å; F387-E390 PolarHBondContact O-N 3.31Å; F387-H391 AromaticContact CD2-CD2 3.71Å; F387-H391 AromaticContact CE1-CD2 3.88Å; F387-H391 AromaticContact CE2-CD2 3.48Å; F387-H391 VanDerWaalsContact CE2-CD2 3.48Å; F387-H391 WeakPolarHBondContact CE2-CD2 3.37Å; F387-H391 AromaticContact CE2-NE2 3.6Å; F387-H391 AromaticContact CZ-CD2 3.57Å; F387-H391 AromaticContact CZ-NE2 3.98Å; F387-H391 PolarHBondContact O-CD2 2.86Å; F387-H391 PolarHBondContact O-N 2.99Å
388M97.7Very high93.7Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-62.8-35.7179.3-69.5-176.881.600112.4L290 L315 L330 L334 L384 V385 H392 I395L290-M388 HydrophobicContact CD1-SD 4.44Å; L290-M388 HydrophobicContact CD2-CE 4.49Å; L315-M388 HydrophobicContact CD1-CG 4.08Å; L315-M388 HydrophobicContact CD2-CE 4.28Å; L315-M388 HydrophobicContact CD2-CG 4.34Å; L315-M388 HydrophobicContact CD2-SD 4.27Å; L330-M388 HydrophobicContact CD1-CE 4.41Å; L330-M388 HydrophobicContact CD2-CE 3.88Å; L330-M388 HydrophobicContact CG-CE 4.5Å; L334-M388 HydrophobicContact CD1-CB 4.06Å; L334-M388 HydrophobicContact CD1-CE 4.11Å; L334-M388 HydrophobicContact CD2-CB 3.89Å; L384-M388 HydrophobicContact CD1-CG 4.29Å; L384-M388 HydrophobicContact CD1-SD 4.24Å; L384-M388 HydrophobicContact CD2-SD 4.16Å; L384-M388 HydrophobicContact CG-CG 4.22Å; L384-M388 HydrophobicContact CG-SD 3.81Å; L384-M388 WeakPolarHBondContact O-CG 3.26Å; L384-M388 PolarHBondContact O-N 3.43Å; V385-M388 PolarHBondContact O-N 3.27Å; M388-H392 WeakPolarHBondContact O-CA 3.36Å; M388-H392 VanDerWaalsContact O-CB 3.3Å; M388-H392 WeakPolarHBondContact O-CB 3.33Å; M388-H392 PolarHBondContact O-N 3.48Å; M388-I395 HydrophobicContact CB-CD1 4.18Å; M388-I395 HydrophobicContact CG-CD1 4.16Å
389M96.6Very high93.5Very high8 Ų838.2 Ų38.24%0.03920%0.204CC..Hα-helixtrans-67.5-43.7176.6-179.9-178.864.100111.6M337 A338 R356 V360 V385 T386 F387 H392M337-M389 HydrophobicContact CB-CG 4.02Å; M337-M389 HydrophobicContact CB-SD 3.72Å; M337-M389 HydrophobicContact CE-SD 3.93Å; A338-M389 HydrophobicContact CB-CG 4.45Å; R356-M389 HydrophobicContact CG-CE 3.73Å; V360-M389 HydrophobicContact CG2-CE 3.84Å; V360-M389 HydrophobicContact CG2-SD 4.49Å; V385-M389 VanDerWaalsContact O-CB 3.25Å; V385-M389 WeakPolarHBondContact O-CB 3.46Å; V385-M389 PolarHBondContact O-N 3.4Å; T386-M389 PolarHBondContact O-N 3.29Å; F387-M389 VanDerWaalsContact C-N 3.29Å; F387-M389 PolarHBondContact O-N 3.32Å; M389-H392 PolarHBondContact O-ND1 2.68Å
390E95.6Very high93.2Very high102 Ų10235.7 Ų35.748%0.47720%0.201SC..Hα-helixtrans-63.2-42.2177.3-72.2178.1150.200111.8R356 T386 F387R356-E390 IonicContact CZ-OE1 3.7Å; R356-E390 IonicContact NH1-OE1 3.85Å; R356-E390 IonicContact NH2-OE1 2.73Å; R356-E390 PolarHBondContact NH2-OE1 2.92Å; T386-E390 WeakPolarHBondContact O-CG 3.38Å; T386-E390 PolarHBondContact O-N 3.35Å; F387-E390 PolarHBondContact O-N 3.31Å
391H95.9Very high92.9Very high39 Ų3939.5 Ų39.518%0.18122%0.216CC..THydrogen-bonded Turntrans-103.618.3-174.7-60.2-75.8000114.1I312 F387 G393 A394 I395I312-H391 HydrophobicContact CD1-CB 4.16Å; I312-H391 HydrophobicContact CG1-CB 4.13Å; F387-H391 AromaticContact CD2-CD2 3.71Å; F387-H391 AromaticContact CE1-CD2 3.88Å; F387-H391 AromaticContact CE2-CD2 3.48Å; F387-H391 VanDerWaalsContact CE2-CD2 3.48Å; F387-H391 WeakPolarHBondContact CE2-CD2 3.37Å; F387-H391 AromaticContact CE2-NE2 3.6Å; F387-H391 AromaticContact CZ-CD2 3.57Å; F387-H391 AromaticContact CZ-NE2 3.98Å; F387-H391 PolarHBondContact O-CD2 2.86Å; F387-H391 PolarHBondContact O-N 2.99Å; H391-G393 PolarHBondContact O-N 2.85Å; H391-G393 VanDerWaalsContact O-N 3.09Å; H391-A394 PolarHBondContact O-N 2.78Å; H391-I395 HydrophobicContact CB-CD1 3.95Å; H391-I395 HydrophobicContact CB-CG1 4.35Å; H391-I395 WeakPolarHBondContact O-CG1 3.49Å; H391-I395 PolarHBondContact O-N 2.95Å
392H94.5Very high92.7Very high47 Ų4739.6 Ų39.622%0.21822%0.216CC..Hα-helixtrans-55.3-34.7-172.570.9-80.4000113.9L334 A338 M388 M389 S396L334-H392 HydrophobicContact CB-CB 3.83Å; L334-H392 HydrophobicContact CD1-CB 4.49Å; A338-H392 WeakPolarHBondContact CB-CE1 3.45Å; A338-H392 WeakPolarHBondContact CB-ND1 3.09Å; M388-H392 WeakPolarHBondContact O-CA 3.36Å; M388-H392 VanDerWaalsContact O-CB 3.3Å; M388-H392 WeakPolarHBondContact O-CB 3.33Å; M388-H392 PolarHBondContact O-N 3.48Å; M389-H392 PolarHBondContact O-ND1 2.68Å; H392-S396 VanDerWaalsContact O-CB 3.27Å; H392-S396 WeakPolarHBondContact O-CB 3.41Å; H392-S396 PolarHBondContact O-N 3.28Å; H392-S396 PolarHBondContact O-OG 3.1Å
393G92.2Very high92.5Very high35 Ų3542.3 Ų42.336%0.36122%0.222SC..Hα-helixtrans-66.5-43.3179.100000112.4H391 Q397H391-G393 PolarHBondContact O-N 2.85Å; H391-G393 VanDerWaalsContact O-N 3.09Å; G393-Q397 WeakPolarHBondContact O-CG 3.29Å
394A93.9Very high92.2Very high33 Ų3340.4 Ų40.427%0.27322%0.222SC..Hα-helixtrans-72.5-44.4177.100000111.1I312 Q316 H391 S396 Q397I312-A394 HydrophobicContact CD1-CB 4.39Å; I312-A394 HydrophobicContact CG2-CB 3.81Å; Q316-A394 PolarHBondContact NE2-O 2.71Å; H391-A394 PolarHBondContact O-N 2.78Å; A394-S396 PolarHBondContact O-N 3.34Å; A394-Q397 WeakPolarHBondContact O-CB 3.38Å; A394-Q397 PolarHBondContact O-N 3.41Å
395I94.1Very high91.9Very high7 Ų743.2 Ų43.24%0.03624%0.236CC..Hα-helixtrans-61.6-33.2179-64.3162.2000111.8L315 M388 H391 Q397L315-I395 HydrophobicContact CB-CD1 4.38Å; L315-I395 HydrophobicContact CB-CG1 4.06Å; L315-I395 HydrophobicContact CB-CG2 4.02Å; L315-I395 HydrophobicContact CD1-CD1 3.67Å; L315-I395 HydrophobicContact CD1-CG1 4.16Å; M388-I395 HydrophobicContact CB-CD1 4.18Å; M388-I395 HydrophobicContact CG-CD1 4.16Å; H391-I395 HydrophobicContact CB-CD1 3.95Å; H391-I395 HydrophobicContact CB-CG1 4.35Å; H391-I395 WeakPolarHBondContact O-CG1 3.49Å; H391-I395 PolarHBondContact O-N 2.95Å; I395-Q397 PolarHBondContact O-N 2.77Å
396S88.1Confident91.7Very high6 Ų643.2 Ų43.24%0.04224%0.236CC..THydrogen-bonded Turntrans-71-17.1178.1-65.60000113.9H392 A394H392-S396 VanDerWaalsContact O-CB 3.27Å; H392-S396 WeakPolarHBondContact O-CB 3.41Å; H392-S396 PolarHBondContact O-N 3.28Å; H392-S396 PolarHBondContact O-OG 3.1Å; A394-S396 PolarHBondContact O-N 3.34Å
397Q87.5Confident91.3Very high123 Ų12344.8 Ų44.858%0.57524%0.241SC*.SBendtrans-77148.5-180-67.4175.615.100111.1G393 A394 I395G393-Q397 WeakPolarHBondContact O-CG 3.29Å; A394-Q397 WeakPolarHBondContact O-CB 3.38Å; A394-Q397 PolarHBondContact O-N 3.41Å; I395-Q397 PolarHBondContact O-N 2.77Å
398V80.6Confident90.9Very high36 Ų3649.5 Ų49.522%0.21826%0.263CS..  trans-76.2131.5173.91780000108.8I224 A400I224-V398 HydrophobicContact CG1-CG1 4.26Å; I224-V398 HydrophobicContact CG2-CG1 4.11Å; V398-A400 PolarHBondContact O-N 3.02Å
399N84.9Confident90.5Very high10 Ų1053.3 Ų53.35%0.05328%0.28CS..  trans-61.9103.4175.1-177.2-34.7000110.1H196 E313 V317 K401 L402 R403H196-N399 PolarHBondContact NE2-ND2 2.98Å; E313-N399 WeakPolarHBondContact CG-ND2 3.33Å; V317-N399 HydrophobicContact CG2-CB 4.44Å; N399-K401 VanDerWaalsContact C-N 3.26Å; N399-K401 PolarHBondContact O-N 3.41Å; N399-K401 WeakPolarHBondContact OD1-CB 3.33Å; N399-K401 PolarHBondContact OD1-N 2.98Å; N399-L402 HydrophobicContact CB-CB 4.17Å; N399-L402 PolarHBondContact O-N 3.35Å; N399-L402 PolarHBondContact OD1-N 3.41Å; N399-R403 PolarHBondContact O-N 3.15Å; N399-R403 VanDerWaalsContact O-N 3.1Å
400A86Confident90.1Very high67 Ų6753.9 Ų53.955%0.55428%0.284SS*.Hα-helixtrans-62.7-33.6-176.700000112.3V398 R403 C404V398-A400 PolarHBondContact O-N 3.02Å; A400-R403 PolarHBondContact O-N 3Å; A400-C404 WeakPolarHBondContact O-CB 3.43Å; A400-C404 PolarHBondContact O-N 3.14Å; A400-C404 PolarHBondContact O-SG 3.25Å
401K88.3Confident89.6Confident112 Ų11251.7 Ų51.749%0.48728%0.279SS..Hα-helixtrans-66.1-46.9178.9-179.1-177.5177.1-173.30111.2N399 R403 C404 Q405N399-K401 VanDerWaalsContact C-N 3.26Å; N399-K401 PolarHBondContact O-N 3.41Å; N399-K401 WeakPolarHBondContact OD1-CB 3.33Å; N399-K401 PolarHBondContact OD1-N 2.98Å; K401-R403 VanDerWaalsContact C-N 3.3Å; K401-R403 PolarHBondContact O-N 3.14Å; K401-C404 PolarHBondContact O-N 2.73Å; K401-Q405 WeakPolarHBondContact O-CB 3.34Å; K401-Q405 VanDerWaalsContact O-CG 3.24Å; K401-Q405 WeakPolarHBondContact O-CG 3.44Å; K401-Q405 PolarHBondContact O-N 2.9Å
402L90.3Very high89Confident1 Ų154 Ų541%0.00529%0.29CS..Hα-helixtrans-59.3-44.4174.1176.762.8000110.6W189 M192 T193 H196 L320 N399 Q405 V406W189-L402 HydrophobicContact CZ3-CG 4.25Å; M192-L402 HydrophobicContact CB-CD1 4.37Å; T193-L402 HydrophobicContact CG2-CD2 4.13Å; H196-L402 HydrophobicContact CB-CD1 4Å; L320-L402 HydrophobicContact CD1-CD2 3.93Å; N399-L402 HydrophobicContact CB-CB 4.17Å; N399-L402 PolarHBondContact O-N 3.35Å; N399-L402 PolarHBondContact OD1-N 3.41Å; L402-Q405 PolarHBondContact O-N 3.4Å; L402-V406 HydrophobicContact CD1-CG2 4.21Å; L402-V406 WeakPolarHBondContact O-CG2 3.35Å; L402-V406 PolarHBondContact O-N 2.98Å
403R90.7Very high88.4Confident97 Ų9754 Ų5437%0.36629%0.291SS..Hα-helixtrans-61.4-49.8179.1178.8177.2172.5161.31112.7W189 N399 A400 K401 Q405 V406 E407W189-R403 HydrophobicContact CH2-CB 4.24Å; W189-R403 HydrophobicContact CH2-CG 4.25Å; N399-R403 PolarHBondContact O-N 3.15Å; N399-R403 VanDerWaalsContact O-N 3.1Å; A400-R403 PolarHBondContact O-N 3Å; K401-R403 VanDerWaalsContact C-N 3.3Å; K401-R403 PolarHBondContact O-N 3.14Å; R403-Q405 VanDerWaalsContact C-N 3.31Å; R403-Q405 PolarHBondContact O-N 3.39Å; R403-V406 PolarHBondContact O-N 3.47Å; R403-E407 HydrophobicContact CG-CG 4.32Å; R403-E407 IonicContact CZ-OE1 3.63Å; R403-E407 IonicContact NE-OE1 3.46Å; R403-E407 PolarHBondContact NE-OE1 2.87Å; R403-E407 IonicContact NH2-OE1 2.91Å; R403-E407 PolarHBondContact NH2-OE1 3.12Å; R403-E407 WeakPolarHBondContact O-CB 3.46Å; R403-E407 WeakPolarHBondContact O-CG 3.15Å; R403-E407 PolarHBondContact O-N 3.41Å
404C91Very high87.8Confident74 Ų7459.1 Ų59.150%0.530%0.304SS..Hα-helixtrans-58.5-43.4177.1-70.40000111.5A400 K401 V406 E407 E408A400-C404 WeakPolarHBondContact O-CB 3.43Å; A400-C404 PolarHBondContact O-N 3.14Å; A400-C404 PolarHBondContact O-SG 3.25Å; K401-C404 PolarHBondContact O-N 2.73Å; C404-V406 VanDerWaalsContact C-N 3.34Å; C404-V406 PolarHBondContact O-N 3.25Å; C404-E407 PolarHBondContact O-N 2.91Å; C404-E408 VanDerWaalsContact O-CB 3.24Å; C404-E408 WeakPolarHBondContact O-CB 3.34Å; C404-E408 PolarHBondContact O-N 3.1Å
405Q91Very high87Confident60 Ų6064.2 Ų64.228%0.2832%0.316SS..Hα-helixtrans-61-41.8178.3-74.3176.3-4.200112.2M192 K401 L402 R403 H409M192-Q405 HydrophobicContact CE-CB 3.78Å; K401-Q405 WeakPolarHBondContact O-CB 3.34Å; K401-Q405 VanDerWaalsContact O-CG 3.24Å; K401-Q405 WeakPolarHBondContact O-CG 3.44Å; K401-Q405 PolarHBondContact O-N 2.9Å; L402-Q405 PolarHBondContact O-N 3.4Å; R403-Q405 VanDerWaalsContact C-N 3.31Å; R403-Q405 PolarHBondContact O-N 3.39Å; Q405-H409 WeakPolarHBondContact O-CB 3.46Å; Q405-H409 PolarHBondContact O-N 3.04Å
406V91.5Very high85.6Confident0 Ų066.6 Ų66.60%034%0.336CS..Hα-helixtrans-72.1-42.4178.7176.80000111.4I188 W189 M192 L402 R403 C404 E408 H409 L410I188-V406 HydrophobicContact CG2-CG1 3.94Å; W189-V406 HydrophobicContact CD2-CB 4.28Å; W189-V406 HydrophobicContact CD2-CG1 3.67Å; W189-V406 HydrophobicContact CD2-CG2 4.19Å; W189-V406 HydrophobicContact CE3-CB 4.14Å; W189-V406 HydrophobicContact CE3-CG1 4.03Å; W189-V406 HydrophobicContact CE3-CG2 3.71Å; W189-V406 HydrophobicContact CG-CG1 4.21Å; W189-V406 HydrophobicContact CH2-CB 3.77Å; W189-V406 HydrophobicContact CH2-CG1 3.97Å; W189-V406 HydrophobicContact CH2-CG2 4.08Å; W189-V406 HydrophobicContact CZ2-CB 3.88Å; W189-V406 HydrophobicContact CZ2-CG1 3.56Å; W189-V406 HydrophobicContact CZ2-CG2 4.49Å; W189-V406 HydrophobicContact CZ3-CB 3.86Å; W189-V406 HydrophobicContact CZ3-CG1 4.16Å; W189-V406 HydrophobicContact CZ3-CG2 3.62Å; M192-V406 HydrophobicContact CB-CG2 3.81Å; M192-V406 HydrophobicContact CE-CG2 3.89Å; M192-V406 HydrophobicContact CG-CG2 4.25Å; M192-V406 HydrophobicContact SD-CB 4.19Å; M192-V406 HydrophobicContact SD-CG2 3.58Å; M192-V406 VanDerWaalsContact SD-CG2 3.58Å; L402-V406 HydrophobicContact CD1-CG2 4.21Å; L402-V406 WeakPolarHBondContact O-CG2 3.35Å; L402-V406 PolarHBondContact O-N 2.98Å; R403-V406 PolarHBondContact O-N 3.47Å; C404-V406 VanDerWaalsContact C-N 3.34Å; C404-V406 PolarHBondContact O-N 3.25Å; V406-E408 VanDerWaalsContact C-N 3.34Å; V406-E408 PolarHBondContact O-N 3.09Å; V406-H409 PolarHBondContact O-N 3.12Å; V406-L410 HydrophobicContact CG1-CD1 3.86Å; V406-L410 HydrophobicContact CG1-CG 4.25Å; V406-L410 WeakPolarHBondContact O-CB 3.31Å; V406-L410 VanDerWaalsContact O-CG 3.28Å; V406-L410 WeakPolarHBondContact O-CG 3.45Å; V406-L410 PolarHBondContact O-N 3.33Å
407E89.8Confident84.4Confident70 Ų7070 Ų7033%0.32735%0.352SS..Hα-helixtrans-62.7-40.5176.5-74.6177.6174.200111.8R403 C404 S411R403-E407 HydrophobicContact CG-CG 4.32Å; R403-E407 IonicContact CZ-OE1 3.63Å; R403-E407 IonicContact NE-OE1 3.46Å; R403-E407 PolarHBondContact NE-OE1 2.87Å; R403-E407 IonicContact NH2-OE1 2.91Å; R403-E407 PolarHBondContact NH2-OE1 3.12Å; R403-E407 WeakPolarHBondContact O-CB 3.46Å; R403-E407 WeakPolarHBondContact O-CG 3.15Å; R403-E407 PolarHBondContact O-N 3.41Å; C404-E407 PolarHBondContact O-N 2.91Å; E407-S411 VanDerWaalsContact O-CB 3.28Å; E407-S411 WeakPolarHBondContact O-CB 3.19Å; E407-S411 PolarHBondContact O-N 3.5Å; E407-S411 PolarHBondContact O-OG 2.93Å
408E89.9Confident83.3Confident113 Ų11368.7 Ų68.753%0.52835%0.348SS..Hα-helixtrans-61.4-51.7172.3179.3172.1-15700110.3C404 V406 L410 S411 H412C404-E408 VanDerWaalsContact O-CB 3.24Å; C404-E408 WeakPolarHBondContact O-CB 3.34Å; C404-E408 PolarHBondContact O-N 3.1Å; V406-E408 VanDerWaalsContact C-N 3.34Å; V406-E408 PolarHBondContact O-N 3.09Å; E408-L410 VanDerWaalsContact C-N 3.34Å; E408-L410 PolarHBondContact O-N 2.89Å; E408-S411 CarbonylContact O-C 3.58Å; E408-S411 WeakPolarHBondContact O-CA 3.44Å; E408-S411 WeakPolarHBondContact O-CB 3.44Å; E408-S411 PolarHBondContact O-N 2.93Å; E408-H412 PolarHBondContact O-CD2 2.89Å; E408-H412 PolarHBondContact O-N 3.36Å; E408-H412 IonicContact OE1-NE2 2.62Å
409H88.1Confident82.4Confident80 Ų8069.9 Ų69.937%0.3735%0.35SS..Hα-helixtrans-57.1-45.8178.3-172.373.1000112.4M192 Q405 V406 S411 H412 L413M192-H409 HydrophobicContact CE-CB 4.38Å; M192-H409 HydrophobicContact SD-CB 3.96Å; Q405-H409 WeakPolarHBondContact O-CB 3.46Å; Q405-H409 PolarHBondContact O-N 3.04Å; V406-H409 PolarHBondContact O-N 3.12Å; H409-S411 VanDerWaalsContact C-N 3.33Å; H409-S411 PolarHBondContact O-N 3.34Å; H409-H412 WeakPolarHBondContact O-CB 3.49Å; H409-H412 PolarHBondContact O-N 2.94Å; H409-L413 WeakPolarHBondContact O-CG 3.28Å; H409-L413 PolarHBondContact O-N 3.15Å
410L87.9Confident81.4Confident20 Ų2075.4 Ų75.411%0.10537%0.371CS..Hα-helixtrans-62.7-39.2175.3-72.9170.9000112.1V180 V185 I188 V406 E408 L413 K414V180-L410 HydrophobicContact CG1-CD2 4.1Å; V185-L410 HydrophobicContact CG1-CD1 4.47Å; V185-L410 HydrophobicContact CG2-CD2 4.14Å; I188-L410 HydrophobicContact CD1-CD2 3.56Å; V406-L410 HydrophobicContact CG1-CD1 3.86Å; V406-L410 HydrophobicContact CG1-CG 4.25Å; V406-L410 WeakPolarHBondContact O-CB 3.31Å; V406-L410 VanDerWaalsContact O-CG 3.28Å; V406-L410 WeakPolarHBondContact O-CG 3.45Å; V406-L410 PolarHBondContact O-N 3.33Å; E408-L410 VanDerWaalsContact C-N 3.34Å; E408-L410 PolarHBondContact O-N 2.89Å; L410-L413 PolarHBondContact O-N 2.92Å; L410-K414 VanDerWaalsContact O-CG 3.28Å; L410-K414 WeakPolarHBondContact O-CG 3.3Å; L410-K414 PolarHBondContact O-N 3.35Å
411S85.2Confident79.6Confident55 Ų5574.4 Ų74.439%0.38536%0.362SS..Hα-helixtrans-64.7-42.5175.8-61.70000111.2E407 E408 H409 L413 K414 R415E407-S411 VanDerWaalsContact O-CB 3.28Å; E407-S411 WeakPolarHBondContact O-CB 3.19Å; E407-S411 PolarHBondContact O-N 3.5Å; E407-S411 PolarHBondContact O-OG 2.93Å; E408-S411 CarbonylContact O-C 3.58Å; E408-S411 WeakPolarHBondContact O-CA 3.44Å; E408-S411 WeakPolarHBondContact O-CB 3.44Å; E408-S411 PolarHBondContact O-N 2.93Å; H409-S411 VanDerWaalsContact C-N 3.33Å; H409-S411 PolarHBondContact O-N 3.34Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-L413 PolarHBondContact O-N 3.38Å; S411-K414 PolarHBondContact O-N 2.94Å; S411-K414 VanDerWaalsContact O-N 3.16Å; S411-R415 WeakPolarHBondContact O-CG 3.09Å; S411-R415 PolarHBondContact O-N 3.48Å
412H84.3Confident77.9Confident88 Ų8872.7 Ų72.741%0.40738%0.376SS..Hα-helixtrans-60.5-39.4174-85.3-86.5000112.3E408 H409 K414 R415E408-H412 PolarHBondContact O-CD2 2.89Å; E408-H412 PolarHBondContact O-N 3.36Å; E408-H412 IonicContact OE1-NE2 2.62Å; H409-H412 WeakPolarHBondContact O-CB 3.49Å; H409-H412 PolarHBondContact O-N 2.94Å; H412-K414 VanDerWaalsContact C-N 3.32Å; H412-K414 PolarHBondContact O-N 3.46Å; H412-R415 PolarHBondContact CE1-NH1 3.3Å; H412-R415 PolarHBondContact NE2-NH1 3.07Å
413L81.3Confident76.1Confident47 Ų4774.4 Ų74.425%0.24639%0.389CS..Hα-helixtrans-67.3-32.2175.4-69.1175.5000112.9R177 V180 I188 H409 L410 S411R177-L413 WeakPolarHBondContact CD-O 3.47Å; V180-L413 HydrophobicContact CG2-CB 4.1Å; I188-L413 HydrophobicContact CD1-CD1 3.51Å; H409-L413 WeakPolarHBondContact O-CG 3.28Å; H409-L413 PolarHBondContact O-N 3.15Å; L410-L413 PolarHBondContact O-N 2.92Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-L413 PolarHBondContact O-N 3.38Å
414K79.5Confident74Confident143 Ų14376.7 Ų76.762%0.62241%0.408SS*.Hα-helixtrans-83.2-20.6179.3-70.1173.3-177.7-177.40114V180 L410 S411 H412 A416V180-K414 HydrophobicContact CG2-CG 3.92Å; L410-K414 VanDerWaalsContact O-CG 3.28Å; L410-K414 WeakPolarHBondContact O-CG 3.3Å; L410-K414 PolarHBondContact O-N 3.35Å; S411-K414 PolarHBondContact O-N 2.94Å; S411-K414 VanDerWaalsContact O-N 3.16Å; H412-K414 VanDerWaalsContact C-N 3.32Å; H412-K414 PolarHBondContact O-N 3.46Å; K414-A416 PolarHBondContact O-N 2.98Å
415R76.6Confident72Confident140 Ų14076.7 Ų76.753%0.52841%0.406SS..SBendtrans-65.1132.5178.3-78.8178.1-158.5156.210.3110.4S411 H412S411-R415 WeakPolarHBondContact O-CG 3.09Å; S411-R415 PolarHBondContact O-N 3.48Å; H412-R415 PolarHBondContact CE1-NH1 3.3Å; H412-R415 PolarHBondContact NE2-NH1 3.07Å
416A64.8Low69.6Low56 Ų5679 Ų7946%0.46342%0.42SS..PPolyproline II helixtrans-64.7139.4172.800000110.1L174 K414L174-A416 HydrophobicContact CD1-CB 3.71Å; L174-A416 HydrophobicContact CG-CB 4.34Å; K414-A416 PolarHBondContact O-N 2.98Å
417Q63.5Low67.5Low78 Ų7885.8 Ų85.836%0.36445%0.45SS..EExtended strand (participates in β ladder)trans-103.9133.4176.7-72.7-174.1-44.300109.6I175 R177I175-Q417 PolarHBondContact N-O 3.46Å; I175-Q417 PolarHBondContact O-N 2.94Å; R177-Q417 VanDerWaalsContact NE-OE1 3.12Å
418I63.5Low65.4Low96 Ų9688.2 Ų88.249%0.49248%0.475SS..EExtended strand (participates in β ladder)trans-93.1110.2172-57.9172.6000106.2C172 L174 Y420C172-I418 HydrophobicContact CB-CG2 4.03Å; L174-I418 HydrophobicContact CD1-CG1 4.02Å; I418-Y420 HydrophobicContact CG2-CD2 4.45Å; I418-Y420 HydrophobicContact CG2-CE2 3.98Å
419K63.3Low63Low60 Ų6085.8 Ų85.826%0.26147%0.474SS..EExtended strand (participates in β ladder)trans-94.4124.1171.6-167.8172.6-178.91800107.3K173 I175 S423 D424 D426K173-K419 PolarHBondContact N-O 2.99Å; K173-K419 PolarHBondContact O-N 3.29Å; I175-K419 HydrophobicContact CD1-CB 3.66Å; I175-K419 HydrophobicContact CD1-CD 3.98Å; I175-K419 HydrophobicContact CD1-CG 4.42Å; I175-K419 HydrophobicContact CG1-CB 4.32Å; K419-S423 WeakPolarHBondContact CE-O 3.49Å; K419-D424 IonicContact NZ-OD1 3.03Å; K419-D426 IonicContact NZ-OD1 3.1Å; K419-D426 PolarHBondContact NZ-OD1 2.91Å
420Y63.2Low60.4Low127 Ų12786.9 Ų86.950%0.49849%0.491SS..EExtended strand (participates in β ladder)trans-84.6136173.1-64.4-94000107.9C172 I418 G422 S423C172-Y420 WeakPolarHBondContact SG-CD1 3.33Å; C172-Y420 WeakPolarHBondContact SG-CE1 3.39Å; I418-Y420 HydrophobicContact CG2-CD2 4.45Å; I418-Y420 HydrophobicContact CG2-CE2 3.98Å; Y420-G422 PolarHBondContact O-N 3.01Å; Y420-S423 PolarHBondContact O-N 3.35Å; Y420-S423 VanDerWaalsContact O-N 3.12Å; Y420-S423 PolarHBondContact O-OG 2.75Å
421A49Very low58.1Low45 Ų4591.1 Ų91.137%0.37252%0.519SS..THydrogen-bonded Turntrans-55.2136.8171.400000109.3H170 E171H170-A421 HydrophobicContact CB-CB 4.33Å; H170-A421 WeakPolarHBondContact CB-O 3.29Å; H170-A421 PolarHBondContact CD2-O 3.46Å; E171-A421 HydrophobicContact CB-CB 4.16Å; E171-A421 WeakPolarHBondContact O-CB 3.33Å; E171-A421 PolarHBondContact O-N 2.77Å
422G52.3Low55.9Low76 Ų7692.9 Ų92.978%0.78454%0.537SS*.THydrogen-bonded Turntrans87.3-11.3-175.500000115.7Y420 D424Y420-G422 PolarHBondContact O-N 3.01Å; G422-D424 PolarHBondContact O-N 3.07Å
423S52.3Low53.7Low38 Ų3896.4 Ų96.427%0.26655%0.552SS.*  trans-87.575.6166.175.50000109.8K419 Y420 T425K419-S423 WeakPolarHBondContact CE-O 3.49Å; Y420-S423 PolarHBondContact O-N 3.35Å; Y420-S423 VanDerWaalsContact O-N 3.12Å; Y420-S423 PolarHBondContact O-OG 2.75Å; S423-T425 PolarHBondContact O-N 3.16Å
424D45.6Very low52.1Low144 Ų14499.7 Ų99.777%0.7758%0.577SS**  trans-72.961.4164.3-79.4-22.5000110.1K419 G422K419-D424 IonicContact NZ-OD1 3.03Å; G422-D424 PolarHBondContact O-N 3.07Å
425T50Low50.5Low74 Ų74100.7 Ų100.745%0.45458%0.582SS.*  trans-111.393.7156.633.10000105.6S423 F427S423-T425 PolarHBondContact O-N 3.16Å; T425-F427 WeakPolarHBondContact O-CD2 3.36Å; T425-F427 PolarHBondContact O-N 2.75Å; T425-F427 WeakPolarHBondContact OG1-CE2 3.47Å
426D41Very low49.5Very low110 Ų110103 Ų10359%0.58860%0.599SS**  trans-6688.5166.2-73.1-28000108.1K419 S428 A429K419-D426 IonicContact NZ-OD1 3.1Å; K419-D426 PolarHBondContact NZ-OD1 2.91Å; D426-S428 PolarHBondContact O-N 2.9Å; D426-A429 PolarHBondContact O-N 3.1Å
427F47.4Very low48.7Very low141 Ų141104.5 Ų104.562%0.61860%0.598SS**THydrogen-bonded Turntrans-64.18.2176.2-74.2-82.5000113.9T425T425-F427 WeakPolarHBondContact O-CD2 3.36Å; T425-F427 PolarHBondContact O-N 2.75Å; T425-F427 WeakPolarHBondContact OG1-CE2 3.47Å
428S43.9Very low48.3Very low122 Ų122108.3 Ų108.385%0.85361%0.613SS**THydrogen-bonded Turntrans-83-16.5164-172.70000112.4D426D426-S428 PolarHBondContact O-N 2.9Å
429A40.2Very low47.9Very low61 Ų61114 Ų11450%0.50463%0.628SS.*SBendtrans-93.5123.9155.800000106D426D426-A429 PolarHBondContact O-N 3.1Å
430S33.9Very low47.5Very low103 Ų103115.5 Ų115.572%0.7264%0.642SS**  trans-40.9136.3151.1-61.30000107.1A432S430-A432 PolarHBondContact O-N 3.38Å
431P39.3Very low47.1Very low109 Ų109113 Ų11371%0.70864%0.638SS**  trans-50.6119.6175.621.4-29.9000105.1F433P431-F433 PolarHBondContact O-N 2.86Å
432A39.4Very low47.1Very low92 Ų92114.2 Ų114.276%0.7664%0.643SS**  trans-61.788169.500000103.6S430 C434S430-A432 PolarHBondContact O-N 3.38Å; A432-C434 PolarHBondContact O-N 2.97Å
433F38.1Very low47.4Very low163 Ų163116.8 Ų116.872%0.71563%0.634SS**  trans-65.298.2170.2-178.7-94.4000102.3P431 K435P431-F433 PolarHBondContact O-N 2.86Å; F433-K435 HydrophobicContact CD1-CB 4.23Å; F433-K435 HydrophobicContact CD1-CG 3.71Å; F433-K435 HydrophobicContact CE1-CB 4.23Å; F433-K435 HydrophobicContact CE1-CG 3.53Å; F433-K435 PolarHBondContact O-N 3.47Å
434C47.4Very low47.6Very low116 Ų116120.3 Ų120.378%0.78465%0.647SS**  trans-58.488.6163.2-70.90000105.3A432 Q436A432-C434 PolarHBondContact O-N 2.97Å; C434-Q436 PolarHBondContact O-N 3.4Å; C434-Q436 VanDerWaalsContact O-N 3.13Å
435K46.4Very low48Very low164 Ų164119.3 Ų119.371%0.71364%0.637SS**  trans-54.9122.3159.2-106.6-175.9180178.20104.1F433 I437F433-K435 HydrophobicContact CD1-CB 4.23Å; F433-K435 HydrophobicContact CD1-CG 3.71Å; F433-K435 HydrophobicContact CE1-CB 4.23Å; F433-K435 HydrophobicContact CE1-CG 3.53Å; F433-K435 PolarHBondContact O-N 3.47Å; K435-I437 VanDerWaalsContact C-N 3.27Å; K435-I437 WeakPolarHBondContact O-CG1 3.33Å; K435-I437 PolarHBondContact O-N 3.34Å
436Q54.1Low48.2Very low189 Ų189122.8 Ų122.888%0.88365%0.646SS**  trans-60.898.8171.6-170.1175.515.400107C434 K438C434-Q436 PolarHBondContact O-N 3.4Å; C434-Q436 VanDerWaalsContact O-N 3.13Å; Q436-K438 PolarHBondContact O-N 3.38Å
437I48.1Very low48.9Very low86 Ų86120.8 Ų120.844%0.44164%0.637SS.*  trans-66124.3175.7-60.5-177.9000105.3K435 D441 C442K435-I437 VanDerWaalsContact C-N 3.27Å; K435-I437 WeakPolarHBondContact O-CG1 3.33Å; K435-I437 PolarHBondContact O-N 3.34Å; I437-D441 HydrophobicContact CG2-CB 3.44Å; I437-D441 VanDerWaalsContact CG2-CB 3.44Å; I437-C442 HydrophobicContact CG2-CB 4.07Å
438K56.3Low49.2Very low159 Ų159119.2 Ų119.269%0.69163%0.634SS**  trans-60144.8175.2-67.3179.1-179.9177.70107.4Q436 V440 D441 C442Q436-K438 PolarHBondContact O-N 3.38Å; K438-V440 PolarHBondContact O-N 3.07Å; K438-D441 PolarHBondContact O-N 3.38Å; K438-C442 PolarHBondContact O-N 3.01Å
439R55.6Low49.8Very low215 Ų215115.9 Ų115.981%0.81162%0.619SS**Hα-helixtrans-49.1-33.5-177.3-86.5-173.6174.2177.5-1.7113.2C442 E443R439-C442 PolarHBondContact O-N 3.5Å; R439-E443 WeakPolarHBondContact O-CG 3.16Å; R439-E443 PolarHBondContact O-N 3.03Å; R439-E443 VanDerWaalsContact O-N 3.12Å
440V54.6Low50.9Low91 Ų91116.4 Ų116.455%0.55262%0.616SS**Hα-helixtrans-64.5-44.7178.3-169.40000112.5K438 C442 E443 E444K438-V440 PolarHBondContact O-N 3.07Å; V440-C442 VanDerWaalsContact C-N 3.32Å; V440-C442 PolarHBondContact O-N 3.48Å; V440-E443 PolarHBondContact O-N 3Å; V440-E444 PolarHBondContact O-N 3.48Å; V440-E444 VanDerWaalsContact O-N 3.09Å
441D53.9Low52.3Low76 Ų76114.1 Ų114.141%0.40659%0.594SS.*Hα-helixtrans-70.8-28.2179.6-60.1-32.4000112.1I437 K438 Q445I437-D441 HydrophobicContact CG2-CB 3.44Å; I437-D441 VanDerWaalsContact CG2-CB 3.44Å; K438-D441 PolarHBondContact O-N 3.38Å; D441-Q445 WeakPolarHBondContact O-CB 3.48Å; D441-Q445 WeakPolarHBondContact O-CG 3.42Å; D441-Q445 PolarHBondContact O-N 2.91Å
442C50.4Low53.7Low70 Ų70112.8 Ų112.847%0.47358%0.58SS.*Hα-helixtrans-71.6-39.3174.3-176.10000111.6I437 K438 R439 V440 K446I437-C442 HydrophobicContact CG2-CB 4.07Å; K438-C442 PolarHBondContact O-N 3.01Å; R439-C442 PolarHBondContact O-N 3.5Å; V440-C442 VanDerWaalsContact C-N 3.32Å; V440-C442 PolarHBondContact O-N 3.48Å; C442-K446 VanDerWaalsContact O-CB 3.31Å; C442-K446 WeakPolarHBondContact O-CB 3.42Å; C442-K446 PolarHBondContact O-N 3.22Å
443E56.8Low55.4Low130 Ų130111.4 Ų111.461%0.60756%0.564SS**Hα-helixtrans-66.1-41.5175.3-73.8174.8-17300111.2R439 V440 K446 V447R439-E443 WeakPolarHBondContact O-CG 3.16Å; R439-E443 PolarHBondContact O-N 3.03Å; R439-E443 VanDerWaalsContact O-N 3.12Å; V440-E443 PolarHBondContact O-N 3Å; E443-K446 PolarHBondContact O-N 3.08Å; E443-V447 VanDerWaalsContact O-CG2 3.3Å; E443-V447 WeakPolarHBondContact O-CG2 3.48Å; E443-V447 PolarHBondContact O-N 3.23Å
444E57.4Low57.1Low112 Ų112105.3 Ų105.352%0.52354%0.539SS..Hα-helixtrans-63.9-44.9174.9-72.5-177.4176.900112.7V440 K446 V447 I448V440-E444 PolarHBondContact O-N 3.48Å; V440-E444 VanDerWaalsContact O-N 3.09Å; E444-K446 VanDerWaalsContact C-N 3.32Å; E444-K446 PolarHBondContact O-N 2.86Å; E444-V447 PolarHBondContact O-N 3.13Å; E444-I448 VanDerWaalsContact O-CG1 3.3Å; E444-I448 WeakPolarHBondContact O-CG1 3.47Å; E444-I448 PolarHBondContact O-N 2.61Å
445Q53.1Low58.5Low122 Ų122103.5 Ų103.557%0.5752%0.518SS*.Hα-helixtrans-65.8-32.9175.9-80.3-179.9-18.700113.1D441 V447 G449D441-Q445 WeakPolarHBondContact O-CB 3.48Å; D441-Q445 WeakPolarHBondContact O-CG 3.42Å; D441-Q445 PolarHBondContact O-N 2.91Å; Q445-V447 VanDerWaalsContact C-N 3.34Å; Q445-G449 PolarHBondContact O-N 3.02Å
446K55.2Low60Low148 Ų148102 Ų10264%0.64351%0.514SS*.Hα-helixtrans-65-40173.3-166.7178-179.3-174.20110.9C442 E443 E444 T450C442-K446 VanDerWaalsContact O-CB 3.31Å; C442-K446 WeakPolarHBondContact O-CB 3.42Å; C442-K446 PolarHBondContact O-N 3.22Å; E443-K446 PolarHBondContact O-N 3.08Å; E444-K446 VanDerWaalsContact C-N 3.32Å; E444-K446 PolarHBondContact O-N 2.86Å; K446-T450 PolarHBondContact O-N 2.7Å; K446-T450 PolarHBondContact O-OG1 3.26Å
447V55.2Low61.2Low67 Ų6797.4 Ų97.441%0.40650%0.495SS..Iπ-helixtrans-67.5-47.3176.2174.30000111E443 E444 Q445 Q451E443-V447 VanDerWaalsContact O-CG2 3.3Å; E443-V447 WeakPolarHBondContact O-CG2 3.48Å; E443-V447 PolarHBondContact O-N 3.23Å; E444-V447 PolarHBondContact O-N 3.13Å; Q445-V447 VanDerWaalsContact C-N 3.34Å; V447-Q451 VanDerWaalsContact O-CB 3.31Å; V447-Q451 WeakPolarHBondContact O-CB 3.45Å; V447-Q451 PolarHBondContact O-N 2.86Å; V447-Q451 VanDerWaalsContact O-N 3.1Å
448I54.7Low62.7Low108 Ų10893.3 Ų93.355%0.55447%0.474SS*.Iπ-helixtrans-71.5-42.8-176.2-63.5164.7000112E444 I452E444-I448 VanDerWaalsContact O-CG1 3.3Å; E444-I448 WeakPolarHBondContact O-CG1 3.47Å; E444-I448 PolarHBondContact O-N 2.61Å; I448-I452 HydrophobicContact CG2-CD1 4.37Å
449G56.8Low63.7Low52 Ų5288.7 Ų88.754%0.53646%0.455SS..Iπ-helixtrans-82.6-23.3-173.500000115.1Q445Q445-G449 PolarHBondContact O-N 3.02Å
450T62.2Low64.7Low73 Ų7380.3 Ų80.345%0.44844%0.436SS..Iπ-helixtrans-121.1-35.7-17768.10000114.5K446 L454K446-T450 PolarHBondContact O-N 2.7Å; K446-T450 PolarHBondContact O-OG1 3.26Å; T450-L454 WeakPolarHBondContact O-CB 3.42Å; T450-L454 WeakPolarHBondContact O-CD1 3.1Å; T450-L454 WeakPolarHBondContact O-CG 3.36Å; T450-L454 PolarHBondContact O-N 3.3Å
451Q64.5Low65.8Low54 Ų5477.3 Ų77.325%0.25242%0.416SS..Iπ-helixtrans-78.5-40.6-176.5-66.2-169.7-4.100113.2V447 L454 Q455V447-Q451 VanDerWaalsContact O-CB 3.31Å; V447-Q451 WeakPolarHBondContact O-CB 3.45Å; V447-Q451 PolarHBondContact O-N 2.86Å; V447-Q451 VanDerWaalsContact O-N 3.1Å; Q451-L454 PolarHBondContact O-N 3.28Å; Q451-Q455 WeakPolarHBondContact O-CB 3.26Å; Q451-Q455 PolarHBondContact O-N 3.49Å
452I68.6Low66.7Low81 Ų8174.9 Ų74.942%0.41540%0.403SS..Hα-helixtrans-62.7-48.5-178-59.1173.5000111.8I448 L454 Q455 Q456I448-I452 HydrophobicContact CG2-CD1 4.37Å; I452-L454 VanDerWaalsContact C-N 3.34Å; I452-L454 PolarHBondContact O-N 3.46Å; I452-Q455 PolarHBondContact O-N 3.44Å; I452-Q456 WeakPolarHBondContact O-CG 3.38Å; I452-Q456 PolarHBondContact O-N 3.19Å
453P74.1Confident67.9Low64 Ų6474.8 Ų74.842%0.41641%0.407SS..Hα-helixtrans-66.6-35.2178.1-2033.7000112.6Q456 L457P453-Q456 PolarHBondContact O-N 2.86Å; P453-L457 WeakPolarHBondContact O-CB 3.42Å; P453-L457 PolarHBondContact O-N 3.01Å
454L74.9Confident68.6Low35 Ų3571.6 Ų71.618%0.18339%0.394CS..Hα-helixtrans-67.9-36.4176.2-73.1175.3000112T450 Q451 I452 L457 L458 F479 Y483 V486T450-L454 WeakPolarHBondContact O-CB 3.42Å; T450-L454 WeakPolarHBondContact O-CD1 3.1Å; T450-L454 WeakPolarHBondContact O-CG 3.36Å; T450-L454 PolarHBondContact O-N 3.3Å; Q451-L454 PolarHBondContact O-N 3.28Å; I452-L454 VanDerWaalsContact C-N 3.34Å; I452-L454 PolarHBondContact O-N 3.46Å; L454-L457 PolarHBondContact O-N 3.12Å; L454-L458 PolarHBondContact O-N 3.1Å; L454-F479 HydrophobicContact CB-CZ 4.3Å; L454-F479 HydrophobicContact CD2-CE2 4.26Å; L454-F479 HydrophobicContact CD2-CZ 4.45Å; L454-F479 WeakPolarHBondContact O-CZ 3.34Å; L454-Y483 HydrophobicContact CD1-CD1 3.78Å; L454-Y483 HydrophobicContact CD1-CE1 3.96Å; L454-Y483 HydrophobicContact CD1-CG 4.24Å; L454-Y483 HydrophobicContact CD2-CD1 4.45Å; L454-Y483 HydrophobicContact CD2-CD2 4.2Å; L454-Y483 HydrophobicContact CD2-CE1 4.27Å; L454-Y483 HydrophobicContact CD2-CE2 4.02Å; L454-Y483 HydrophobicContact CD2-CG 4.41Å; L454-V486 HydrophobicContact CB-CG1 4.45Å
455Q75.8Confident69.1Low77 Ų7774.4 Ų74.436%0.3641%0.407SS..Hα-helixtrans-68.4-42.5174.7-165.5171.91.300110.9Q451 I452 L457 L458 E459 V486Q451-Q455 WeakPolarHBondContact O-CB 3.26Å; Q451-Q455 PolarHBondContact O-N 3.49Å; I452-Q455 PolarHBondContact O-N 3.44Å; Q455-L457 VanDerWaalsContact C-N 3.33Å; Q455-L457 PolarHBondContact O-N 3.39Å; Q455-L458 PolarHBondContact O-N 3.04Å; Q455-E459 WeakPolarHBondContact O-CG 3.32Å; Q455-E459 PolarHBondContact O-N 3.16Å; Q455-V486 HydrophobicContact CB-CG1 4.38Å
456Q77.4Confident70Confident133 Ų13377.3 Ų77.362%0.62142%0.421SS*.Hα-helixtrans-62.5-38.1173.2-73177.5-18.800112.6I452 P453 E459 G460I452-Q456 WeakPolarHBondContact O-CG 3.38Å; I452-Q456 PolarHBondContact O-N 3.19Å; P453-Q456 PolarHBondContact O-N 2.86Å; Q456-E459 PolarHBondContact O-N 2.97Å; Q456-G460 PolarHBondContact O-N 3.31Å
457L80.3Confident70.6Confident93 Ų9371.7 Ų71.749%0.48740%0.398SS..Hα-helixtrans-66.8-37.1175.5-171.9131.5000111.9P453 L454 Q455 G460 L461 F479P453-L457 WeakPolarHBondContact O-CB 3.42Å; P453-L457 PolarHBondContact O-N 3.01Å; L454-L457 PolarHBondContact O-N 3.12Å; Q455-L457 VanDerWaalsContact C-N 3.33Å; Q455-L457 PolarHBondContact O-N 3.39Å; L457-G460 PolarHBondContact O-N 3.24Å; L457-L461 HydrophobicContact CD2-CD1 3.74Å; L457-L461 HydrophobicContact CG-CD1 4.49Å; L457-L461 WeakPolarHBondContact O-CB 3.48Å; L457-L461 WeakPolarHBondContact O-CG 3.24Å; L457-L461 PolarHBondContact O-N 2.99Å; L457-F479 HydrophobicContact CD2-CD2 3.74Å; L457-F479 HydrophobicContact CD2-CE2 3.47Å; L457-F479 VanDerWaalsContact CD2-CE2 3.47Å
458L78.6Confident71.6Confident0 Ų072.2 Ų72.20%040%0.403CS..Hα-helixtrans-66.6-44.1173.4-176.460.9000111.7L454 Q455 L461 I462 L476 F479 Y487 R490 F491L454-L458 PolarHBondContact O-N 3.1Å; Q455-L458 PolarHBondContact O-N 3.04Å; L458-L461 PolarHBondContact O-N 3.41Å; L458-I462 HydrophobicContact CD1-CD1 4.36Å; L458-I462 HydrophobicContact CG-CD1 4.1Å; L458-I462 WeakPolarHBondContact O-CD1 3.29Å; L458-I462 VanDerWaalsContact O-CG1 3.27Å; L458-I462 WeakPolarHBondContact O-CG1 3.13Å; L458-I462 PolarHBondContact O-N 3.05Å; L458-L476 HydrophobicContact CD1-CD1 4.02Å; L458-F479 HydrophobicContact CB-CE1 4.04Å; L458-F479 HydrophobicContact CB-CZ 4.01Å; L458-F479 HydrophobicContact CD1-CD1 3.84Å; L458-F479 HydrophobicContact CD1-CE1 4.04Å; L458-F479 HydrophobicContact CD1-CG 4.32Å; L458-F479 HydrophobicContact CD2-CE1 4.05Å; L458-F479 HydrophobicContact CG-CE1 4.27Å; L458-Y487 HydrophobicContact CD1-CD2 4.3Å; L458-Y487 HydrophobicContact CD2-CD2 4.44Å; L458-R490 HydrophobicContact CD2-CB 3.87Å; L458-R490 HydrophobicContact CD2-CG 4.06Å; L458-F491 HydrophobicContact CD2-CE2 4.35Å
459E78.1Confident72.3Confident61 Ų6169.5 Ų69.529%0.28540%0.396SS..Hα-helixtrans-62-41.9173.9-67.3-52.8138.400111.8Q455 Q456 I462 A463 R490Q455-E459 WeakPolarHBondContact O-CG 3.32Å; Q455-E459 PolarHBondContact O-N 3.16Å; Q456-E459 PolarHBondContact O-N 2.97Å; E459-I462 CarbonylContact O-C 3.43Å; E459-I462 WeakPolarHBondContact O-CB 3.39Å; E459-I462 PolarHBondContact O-N 3.3Å; E459-I462 VanDerWaalsContact O-N 3.12Å; E459-A463 WeakPolarHBondContact O-CB 3Å; E459-A463 PolarHBondContact O-N 3.48Å; E459-R490 VanDerWaalsContact CD-NH2 3.29Å; E459-R490 WeakPolarHBondContact OE1-CD 3.34Å; E459-R490 IonicContact OE1-CZ 3.71Å; E459-R490 IonicContact OE1-NE 3.8Å; E459-R490 PolarHBondContact OE1-NE 3.23Å; E459-R490 IonicContact OE1-NH2 2.84Å; E459-R490 PolarHBondContact OE1-NH2 3Å; E459-R490 IonicContact OE2-CZ 3.65Å; E459-R490 IonicContact OE2-NE 3.46Å; E459-R490 IonicContact OE2-NH2 3.59Å; E459-R490 PolarHBondContact OE2-NH2 3.01Å
460G77.2Confident72.8Confident40 Ų4074.3 Ų74.341%0.41240%0.403SS..Hα-helixtrans-61.4-44.6176.200000112.1Q456 L457 I462 A463 D464Q456-G460 PolarHBondContact O-N 3.31Å; L457-G460 PolarHBondContact O-N 3.24Å; G460-I462 PolarHBondContact O-N 3.32Å; G460-A463 PolarHBondContact O-N 2.94Å; G460-D464 WeakPolarHBondContact O-CB 3.42Å; G460-D464 PolarHBondContact O-N 2.9Å
461L76.1Confident73.2Confident28 Ų2873.9 Ų73.915%0.14740%0.397CS..Hα-helixtrans-62-29.2174.2-84.1162000113L457 L458 L467 K472 R475 F479L457-L461 HydrophobicContact CD2-CD1 3.74Å; L457-L461 HydrophobicContact CG-CD1 4.49Å; L457-L461 WeakPolarHBondContact O-CB 3.48Å; L457-L461 WeakPolarHBondContact O-CG 3.24Å; L457-L461 PolarHBondContact O-N 2.99Å; L458-L461 PolarHBondContact O-N 3.41Å; L461-L467 HydrophobicContact CD2-CD1 4.41Å; L461-K472 WeakPolarHBondContact O-CE 3.42Å; L461-R475 HydrophobicContact CD2-CB 4.12Å; L461-F479 HydrophobicContact CD1-CD2 4.41Å
462I73.8Confident73.7Confident24 Ų2473 Ų7312%0.12339%0.393CS..Hα-helixtrans-80.3-41.2177-72.5164.4000111.5L458 E459 G460 K472 L476 F491 V500L458-I462 HydrophobicContact CD1-CD1 4.36Å; L458-I462 HydrophobicContact CG-CD1 4.1Å; L458-I462 WeakPolarHBondContact O-CD1 3.29Å; L458-I462 VanDerWaalsContact O-CG1 3.27Å; L458-I462 WeakPolarHBondContact O-CG1 3.13Å; L458-I462 PolarHBondContact O-N 3.05Å; E459-I462 CarbonylContact O-C 3.43Å; E459-I462 WeakPolarHBondContact O-CB 3.39Å; E459-I462 PolarHBondContact O-N 3.3Å; E459-I462 VanDerWaalsContact O-N 3.12Å; G460-I462 PolarHBondContact O-N 3.32Å; I462-K472 WeakPolarHBondContact O-CE 3.47Å; I462-K472 PolarHBondContact O-NZ 2.89Å; I462-L476 HydrophobicContact CG1-CD1 4.24Å; I462-F491 HydrophobicContact CD1-CE2 4.2Å; I462-F491 HydrophobicContact CD1-CZ 3.64Å; I462-V500 HydrophobicContact CB-CG1 4.21Å; I462-V500 HydrophobicContact CD1-CG1 4.34Å; I462-V500 HydrophobicContact CG1-CG1 3.96Å; I462-V500 HydrophobicContact CG2-CG1 3.34Å
463A74.8Confident73.9Confident68 Ų6872.9 Ų72.956%0.56239%0.387SS*.Hα-helixtrans-77.2-21.1-176.900000113.3E459 G460 Q465E459-A463 WeakPolarHBondContact O-CB 3Å; E459-A463 PolarHBondContact O-N 3.48Å; G460-A463 PolarHBondContact O-N 2.94Å; A463-Q465 PolarHBondContact O-N 3.43Å
464D72.3Confident74Confident63 Ų6375.6 Ų75.634%0.33739%0.393SS..  trans-63.5116.2179.8-169.4-22.5000111.8G460 E466 L467 K472G460-D464 WeakPolarHBondContact O-CB 3.42Å; G460-D464 PolarHBondContact O-N 2.9Å; D464-E466 PolarHBondContact OD1-N 3.36Å; D464-L467 HydrophobicContact CB-CD1 4.09Å; D464-L467 PolarHBondContact OD1-N 3.46Å; D464-L467 WeakPolarHBondContact OD2-CD1 3.36Å; D464-K472 PolarHBondContact O-NZ 3.32Å
465Q68.3Low74.1Confident171 Ų17180.1 Ų80.180%0.79941%0.407SS*.SBendtrans-94.1-11.7-179.1-63.6-65.3-16.400113.2A463A463-Q465 PolarHBondContact O-N 3.43Å
466E70.5Confident74.3Confident183 Ų18376.9 Ų76.986%0.85539%0.392SS*.SBendtrans-88.6-17.5-178-59.9-156160.200112.3D464D464-E466 PolarHBondContact OD1-N 3.36Å
467L69.4Low74.3Confident31 Ų3177.7 Ų77.716%0.16239%0.394CS..SBendtrans-74.8125.9177.6-85.1165.1000112.6L461 D464 A469 K472L461-L467 HydrophobicContact CD2-CD1 4.41Å; D464-L467 HydrophobicContact CB-CD1 4.09Å; D464-L467 PolarHBondContact OD1-N 3.46Å; D464-L467 WeakPolarHBondContact OD2-CD1 3.36Å; L467-A469 PolarHBondContact O-N 3.41Å; L467-K472 HydrophobicContact CB-CB 4.42Å
468P74.7Confident74.2Confident77 Ų7779.6 Ų79.650%0.540%0.4SS..  trans-56.3135.5173.5-23.231.8000111.7K470 D471 K472P468-K470 PolarHBondContact O-N 2.95Å; P468-D471 PolarHBondContact O-N 3Å; P468-K472 PolarHBondContact O-N 2.88Å
469A69.5Low74.3Confident51 Ų5180.2 Ų80.242%0.42140%0.403SS..Hα-helixtrans-54-29.3-174.500000114L467 R473 P502L467-A469 PolarHBondContact O-N 3.41Å; A469-R473 WeakPolarHBondContact O-CB 3.23Å; A469-R473 WeakPolarHBondContact O-CG 3.39Å; A469-R473 PolarHBondContact O-N 3.02Å; A469-P502 HydrophobicContact CB-CG 4.3Å
470K67.9Low74.4Confident154 Ų15480.9 Ų80.967%0.6741%0.406SS*.Hα-helixtrans-69.5-40.4176.8-170.8-179.1179.5-175.50112.6P468 K474P468-K470 PolarHBondContact O-N 2.95Å; K470-K474 PolarHBondContact O-N 2.72Å
471D70.9Confident74.5Confident63 Ų6387.9 Ų87.934%0.33743%0.425SS..Hα-helixtrans-83.9-33.7-177.5-66.7-32.2000111.5P468 R473 K474 R475P468-D471 PolarHBondContact O-N 3Å; D471-R473 VanDerWaalsContact C-N 3.3Å; D471-R473 PolarHBondContact O-N 3.48Å; D471-K474 PolarHBondContact O-N 2.91Å; D471-K474 VanDerWaalsContact O-N 3.11Å; D471-K474 IonicContact OD1-NZ 3.75Å; D471-R475 WeakPolarHBondContact O-CG 3.47Å; D471-R475 PolarHBondContact O-N 2.91Å
472K75.4Confident74.4Confident36 Ų3689.8 Ų89.816%0.15744%0.441CS..Hα-helixtrans-54.4-47.1166.9-168.4166.2177.4163.10111.1L461 I462 D464 L467 P468 K474 R475 L476L461-K472 WeakPolarHBondContact O-CE 3.42Å; I462-K472 WeakPolarHBondContact O-CE 3.47Å; I462-K472 PolarHBondContact O-NZ 2.89Å; D464-K472 PolarHBondContact O-NZ 3.32Å; L467-K472 HydrophobicContact CB-CB 4.42Å; P468-K472 PolarHBondContact O-N 2.88Å; K472-K474 PolarHBondContact O-N 3.1Å; K472-R475 PolarHBondContact O-N 3.26Å; K472-L476 WeakPolarHBondContact O-CB 3.32Å; K472-L476 PolarHBondContact O-N 3.1Å
473R72.7Confident74.7Confident79 Ų7993.9 Ų93.930%0.29846%0.455SS..Hα-helixtrans-62.1-38.5174.6-73.6173.3-165.8-17612.9113.5A469 D471 K477 I501 P502 E503A469-R473 WeakPolarHBondContact O-CB 3.23Å; A469-R473 WeakPolarHBondContact O-CG 3.39Å; A469-R473 PolarHBondContact O-N 3.02Å; D471-R473 VanDerWaalsContact C-N 3.3Å; D471-R473 PolarHBondContact O-N 3.48Å; R473-K477 WeakPolarHBondContact O-CB 3.46Å; R473-K477 WeakPolarHBondContact O-CG 3.47Å; R473-K477 PolarHBondContact O-N 2.93Å; R473-I501 HydrophobicContact CG-CG2 3.97Å; R473-P502 PolarHBondContact NE-O 2.98Å; R473-P502 PolarHBondContact NH2-O 3.21Å; R473-E503 PolarHBondContact NH2-O 2.94Å; R473-E503 VanDerWaalsContact NH2-O 3.1Å
474K75.3Confident74.8Confident121 Ų12193.7 Ų93.753%0.52645%0.448SS..Hα-helixtrans-67.2-46177.2-76.5178.5-179.1172.10111.5K470 D471 K472 L476 K477 Q478K470-K474 PolarHBondContact O-N 2.72Å; D471-K474 PolarHBondContact O-N 2.91Å; D471-K474 VanDerWaalsContact O-N 3.11Å; D471-K474 IonicContact OD1-NZ 3.75Å; K472-K474 PolarHBondContact O-N 3.1Å; K474-L476 VanDerWaalsContact C-N 3.34Å; K474-K477 PolarHBondContact O-N 3.06Å; K474-Q478 WeakPolarHBondContact O-CB 3.04Å; K474-Q478 PolarHBondContact O-N 3.45Å
475R77.2Confident74.9Confident129 Ų12997.7 Ų97.749%0.48747%0.465SS..Hα-helixtrans-63.9-39.9177.5-70.1-176.4-179.1-172.31.3111.3L461 D471 K472 K477 Q478 F479L461-R475 HydrophobicContact CD2-CB 4.12Å; D471-R475 WeakPolarHBondContact O-CG 3.47Å; D471-R475 PolarHBondContact O-N 2.91Å; K472-R475 PolarHBondContact O-N 3.26Å; R475-K477 PolarHBondContact O-N 2.98Å; R475-Q478 PolarHBondContact O-N 3.15Å; R475-F479 WeakPolarHBondContact O-CB 3.29Å; R475-F479 PolarHBondContact O-N 3.38Å
476L78.9Confident75.3Confident10 Ų1090.3 Ų90.35%0.05243%0.431CS..Hα-helixtrans-63.6-41.5174.7-135.384.9000112.1L458 I462 K472 K474 F479 Q480 Y487 I501L458-L476 HydrophobicContact CD1-CD1 4.02Å; I462-L476 HydrophobicContact CG1-CD1 4.24Å; K472-L476 WeakPolarHBondContact O-CB 3.32Å; K472-L476 PolarHBondContact O-N 3.1Å; K474-L476 VanDerWaalsContact C-N 3.34Å; L476-F479 PolarHBondContact O-N 2.85Å; L476-Q480 WeakPolarHBondContact O-CB 3.31Å; L476-Q480 PolarHBondContact O-N 3.26Å; L476-Y487 HydrophobicContact CD2-CE2 3.84Å; L476-Y487 HydrophobicContact CG-CE2 3.91Å; L476-I501 HydrophobicContact CD2-CD1 3.61Å; L476-I501 HydrophobicContact CD2-CG1 3.94Å
477K77.6Confident75.6Confident150 Ų15082 Ų8265%0.65239%0.392SS*.Hα-helixtrans-65.5-37.3173.5-78.9-174.6176.5-168.10112.8R473 K474 R475 K481R473-K477 WeakPolarHBondContact O-CB 3.46Å; R473-K477 WeakPolarHBondContact O-CG 3.47Å; R473-K477 PolarHBondContact O-N 2.93Å; K474-K477 PolarHBondContact O-N 3.06Å; R475-K477 PolarHBondContact O-N 2.98Å; K477-K481 WeakPolarHBondContact O-CB 3.42Å; K477-K481 PolarHBondContact O-N 3.4Å
478Q78.6Confident76Confident132 Ų13286.6 Ų86.662%0.61741%0.413SS*.Hα-helixtrans-66.8-43.8175.8-173.6171.21.100110.6K474 R475 K481 S482K474-Q478 WeakPolarHBondContact O-CB 3.04Å; K474-Q478 PolarHBondContact O-N 3.45Å; R475-Q478 PolarHBondContact O-N 3.15Å; Q478-K481 PolarHBondContact O-N 3.45Å; Q478-S482 PolarHBondContact O-N 3.24Å; Q478-S482 PolarHBondContact O-OG 2.96Å
479F80.8Confident76.1Confident14 Ų1489.6 Ų89.66%0.06142%0.418CS..Hα-helixtrans-61.3-45174.5-168.7-82.8000111.6L454 L457 L458 L461 R475 L476 K481 S482 Y483 V486 Y487L454-F479 HydrophobicContact CB-CZ 4.3Å; L454-F479 HydrophobicContact CD2-CE2 4.26Å; L454-F479 HydrophobicContact CD2-CZ 4.45Å; L454-F479 WeakPolarHBondContact O-CZ 3.34Å; L457-F479 HydrophobicContact CD2-CD2 3.74Å; L457-F479 HydrophobicContact CD2-CE2 3.47Å; L457-F479 VanDerWaalsContact CD2-CE2 3.47Å; L458-F479 HydrophobicContact CB-CE1 4.04Å; L458-F479 HydrophobicContact CB-CZ 4.01Å; L458-F479 HydrophobicContact CD1-CD1 3.84Å; L458-F479 HydrophobicContact CD1-CE1 4.04Å; L458-F479 HydrophobicContact CD1-CG 4.32Å; L458-F479 HydrophobicContact CD2-CE1 4.05Å; L458-F479 HydrophobicContact CG-CE1 4.27Å; L461-F479 HydrophobicContact CD1-CD2 4.41Å; R475-F479 WeakPolarHBondContact O-CB 3.29Å; R475-F479 PolarHBondContact O-N 3.38Å; L476-F479 PolarHBondContact O-N 2.85Å; F479-K481 VanDerWaalsContact C-N 3.26Å; F479-K481 PolarHBondContact O-N 3.06Å; F479-S482 PolarHBondContact O-N 2.92Å; F479-Y483 HydrophobicContact CD2-CD2 4.08Å; F479-Y483 AromaticContact CE2-CD2 3.91Å; F479-Y483 HydrophobicContact CE2-CD2 3.91Å; F479-Y483 HydrophobicContact CG-CD2 4.47Å; F479-Y483 HydrophobicContact CZ-CD2 4.16Å; F479-Y483 PolarHBondContact O-N 3.38Å; F479-V486 HydrophobicContact CE1-CG1 4.46Å; F479-Y487 HydrophobicContact CD1-CD2 4.34Å
480Q81Confident76.3Confident74 Ų7492.4 Ų92.435%0.34642%0.418SS..Hα-helixtrans-57.8-38.7174.5-177.4-177.615.400112.2L476 P484 Y487L476-Q480 WeakPolarHBondContact O-CB 3.31Å; L476-Q480 PolarHBondContact O-N 3.26Å; Q480-P484 WeakPolarHBondContact O-CA 3.38Å; Q480-Y487 HydrophobicContact CB-CD1 4.07Å; Q480-Y487 HydrophobicContact CB-CD2 3.91Å; Q480-Y487 HydrophobicContact CB-CE1 4.27Å; Q480-Y487 HydrophobicContact CB-CE2 4.11Å; Q480-Y487 HydrophobicContact CB-CG 3.88Å; Q480-Y487 HydrophobicContact CG-CD1 3.62Å; Q480-Y487 HydrophobicContact CG-CD2 4.4Å; Q480-Y487 HydrophobicContact CG-CE1 3.89Å; Q480-Y487 HydrophobicContact CG-CG 3.9Å
481K78Confident76.6Confident187 Ų18786 Ų8681%0.81339%0.39SS*.Hα-helixtrans-71.9-37.7178.8-169.3179.8-179.5-175.40112.2K477 Q478 F479K477-K481 WeakPolarHBondContact O-CB 3.42Å; K477-K481 PolarHBondContact O-N 3.4Å; Q478-K481 PolarHBondContact O-N 3.45Å; F479-K481 VanDerWaalsContact C-N 3.26Å; F479-K481 PolarHBondContact O-N 3.06Å
482S75.8Confident76.4Confident68 Ų6887.8 Ų87.848%0.47641%0.405SS..Hα-helixtrans-81.4-32.9-178.1-630000113.1Q478 F479Q478-S482 PolarHBondContact O-N 3.24Å; Q478-S482 PolarHBondContact O-OG 2.96Å; F479-S482 PolarHBondContact O-N 2.92Å
483Y78.4Confident76Confident111 Ų11190.1 Ų90.144%0.43542%0.423SS..  trans-139.367.4-173.6-53.6-71.9000111.6L454 F479 E485 Y487L454-Y483 HydrophobicContact CD1-CD1 3.78Å; L454-Y483 HydrophobicContact CD1-CE1 3.96Å; L454-Y483 HydrophobicContact CD1-CG 4.24Å; L454-Y483 HydrophobicContact CD2-CD1 4.45Å; L454-Y483 HydrophobicContact CD2-CD2 4.2Å; L454-Y483 HydrophobicContact CD2-CE1 4.27Å; L454-Y483 HydrophobicContact CD2-CE2 4.02Å; L454-Y483 HydrophobicContact CD2-CG 4.41Å; F479-Y483 HydrophobicContact CD2-CD2 4.08Å; F479-Y483 AromaticContact CE2-CD2 3.91Å; F479-Y483 HydrophobicContact CE2-CD2 3.91Å; F479-Y483 HydrophobicContact CG-CD2 4.47Å; F479-Y483 HydrophobicContact CZ-CD2 4.16Å; F479-Y483 PolarHBondContact O-N 3.38Å; Y483-E485 PolarHBondContact O-N 2.88Å; Y483-Y487 PolarHBondContact O-N 3.02Å
484P76.8Confident75.3Confident63 Ų6392.9 Ų92.941%0.40944%0.439SS..Hα-helixtrans-64.8-35-172.523.8-33.3000113.7Q480 Y487 Q488Q480-P484 WeakPolarHBondContact O-CA 3.38Å; P484-Y487 PolarHBondContact O-N 3.15Å; P484-Q488 WeakPolarHBondContact O-CB 3.41Å; P484-Q488 WeakPolarHBondContact O-CG 3.42Å; P484-Q488 PolarHBondContact O-N 3.18Å
485E75.6Confident74.4Confident147 Ų14794.9 Ų94.969%0.68745%0.45SS*.Hα-helixtrans-67.5-44.6-177.3-63.4179.7-176.700112.4Y483 Y487 Q488 K489Y483-E485 PolarHBondContact O-N 2.88Å; E485-Y487 VanDerWaalsContact C-N 3.33Å; E485-Q488 PolarHBondContact O-N 3.12Å; E485-K489 WeakPolarHBondContact O-CB 3.42Å; E485-K489 PolarHBondContact O-N 3.01Å
486V77.4Confident73.6Confident16 Ų1690.3 Ų90.310%0.09744%0.438CS..Hα-helixtrans-67.6-37.7177.6-177.70000110.6L454 Q455 F479 R490L454-V486 HydrophobicContact CB-CG1 4.45Å; Q455-V486 HydrophobicContact CB-CG1 4.38Å; F479-V486 HydrophobicContact CE1-CG1 4.46Å; V486-R490 PolarHBondContact O-N 3.22Å
487Y76.8Confident72.7Confident9 Ų992.2 Ų92.24%0.03545%0.446CS..Hα-helixtrans-66.6-44.7177-172.1-86.9000112.4L458 L476 F479 Q480 Y483 P484 E485 R490 F491L458-Y487 HydrophobicContact CD1-CD2 4.3Å; L458-Y487 HydrophobicContact CD2-CD2 4.44Å; L476-Y487 HydrophobicContact CD2-CE2 3.84Å; L476-Y487 HydrophobicContact CG-CE2 3.91Å; F479-Y487 HydrophobicContact CD1-CD2 4.34Å; Q480-Y487 HydrophobicContact CB-CD1 4.07Å; Q480-Y487 HydrophobicContact CB-CD2 3.91Å; Q480-Y487 HydrophobicContact CB-CE1 4.27Å; Q480-Y487 HydrophobicContact CB-CE2 4.11Å; Q480-Y487 HydrophobicContact CB-CG 3.88Å; Q480-Y487 HydrophobicContact CG-CD1 3.62Å; Q480-Y487 HydrophobicContact CG-CD2 4.4Å; Q480-Y487 HydrophobicContact CG-CE1 3.89Å; Q480-Y487 HydrophobicContact CG-CG 3.9Å; Y483-Y487 PolarHBondContact O-N 3.02Å; P484-Y487 PolarHBondContact O-N 3.15Å; E485-Y487 VanDerWaalsContact C-N 3.33Å; Y487-R490 PolarHBondContact O-N 3.17Å; Y487-F491 HydrophobicContact CD1-CD2 4.16Å; Y487-F491 HydrophobicContact CD2-CD2 4.01Å; Y487-F491 HydrophobicContact CD2-CE2 4.17Å; Y487-F491 HydrophobicContact CE1-CB 4.37Å; Y487-F491 AromaticContact CE1-CD2 3.85Å; Y487-F491 HydrophobicContact CE1-CD2 3.85Å; Y487-F491 HydrophobicContact CE1-CG 4.45Å; Y487-F491 AromaticContact CE2-CD2 3.69Å; Y487-F491 HydrophobicContact CE2-CD2 3.69Å; Y487-F491 AromaticContact CE2-CE2 3.71Å; Y487-F491 HydrophobicContact CE2-CE2 3.71Å; Y487-F491 HydrophobicContact CG-CD2 4.25Å; Y487-F491 AromaticContact CZ-CD2 3.6Å; Y487-F491 AromaticContact CZ-CE2 3.97Å; Y487-F491 PolarHBondContact O-N 3.4Å
488Q76.3Confident71.7Confident128 Ų12887.5 Ų87.560%0.59843%0.434SS*.Hα-helixtrans-66.6-35.3177.3-76.8177.25.400112.5P484 E485 R490 F491 P492P484-Q488 WeakPolarHBondContact O-CB 3.41Å; P484-Q488 WeakPolarHBondContact O-CG 3.42Å; P484-Q488 PolarHBondContact O-N 3.18Å; E485-Q488 PolarHBondContact O-N 3.12Å; Q488-R490 VanDerWaalsContact C-N 3.29Å; Q488-R490 PolarHBondContact O-N 3.41Å; Q488-F491 CarbonylContact O-C 3.59Å; Q488-F491 PolarHBondContact O-N 2.94Å; Q488-P492 WeakPolarHBondContact O-CA 3.27Å
489K76.5Confident70.8Confident139 Ų13985.4 Ų85.460%0.60444%0.44SS*.Hα-helixtrans-63.8-34174.9-166.6178-178.4-177.50112.3E485E485-K489 WeakPolarHBondContact O-CB 3.42Å; E485-K489 PolarHBondContact O-N 3.01Å
490R74.1Confident69.8Low111 Ų11187.5 Ų87.542%0.41945%0.454SS..Hα-helixtrans-83.3-30.8175.8-176.151.6167.2162.1-10113.5L458 E459 V486 Y487 Q488 P492L458-R490 HydrophobicContact CD2-CB 3.87Å; L458-R490 HydrophobicContact CD2-CG 4.06Å; E459-R490 VanDerWaalsContact CD-NH2 3.29Å; E459-R490 WeakPolarHBondContact OE1-CD 3.34Å; E459-R490 IonicContact OE1-CZ 3.71Å; E459-R490 IonicContact OE1-NE 3.8Å; E459-R490 PolarHBondContact OE1-NE 3.23Å; E459-R490 IonicContact OE1-NH2 2.84Å; E459-R490 PolarHBondContact OE1-NH2 3Å; E459-R490 IonicContact OE2-CZ 3.65Å; E459-R490 IonicContact OE2-NE 3.46Å; E459-R490 IonicContact OE2-NH2 3.59Å; E459-R490 PolarHBondContact OE2-NH2 3.01Å; V486-R490 PolarHBondContact O-N 3.22Å; Y487-R490 PolarHBondContact O-N 3.17Å; Q488-R490 VanDerWaalsContact C-N 3.29Å; Q488-R490 PolarHBondContact O-N 3.41Å; R490-P492 VanDerWaalsContact C-CD 3.49Å; R490-P492 WeakPolarHBondContact O-CD 3.42Å
491F74.9Confident68.8Low18 Ų1885.9 Ų85.98%0.07945%0.447CS..  trans-122.373.3177.5-58.5-73.1000112.2L458 I462 Y487 Q488 S496 K497 V500L458-F491 HydrophobicContact CD2-CE2 4.35Å; I462-F491 HydrophobicContact CD1-CE2 4.2Å; I462-F491 HydrophobicContact CD1-CZ 3.64Å; Y487-F491 HydrophobicContact CD1-CD2 4.16Å; Y487-F491 HydrophobicContact CD2-CD2 4.01Å; Y487-F491 HydrophobicContact CD2-CE2 4.17Å; Y487-F491 HydrophobicContact CE1-CB 4.37Å; Y487-F491 AromaticContact CE1-CD2 3.85Å; Y487-F491 HydrophobicContact CE1-CD2 3.85Å; Y487-F491 HydrophobicContact CE1-CG 4.45Å; Y487-F491 AromaticContact CE2-CD2 3.69Å; Y487-F491 HydrophobicContact CE2-CD2 3.69Å; Y487-F491 AromaticContact CE2-CE2 3.71Å; Y487-F491 HydrophobicContact CE2-CE2 3.71Å; Y487-F491 HydrophobicContact CG-CD2 4.25Å; Y487-F491 AromaticContact CZ-CD2 3.6Å; Y487-F491 AromaticContact CZ-CE2 3.97Å; Y487-F491 PolarHBondContact O-N 3.4Å; Q488-F491 CarbonylContact O-C 3.59Å; Q488-F491 PolarHBondContact O-N 2.94Å; F491-S496 WeakPolarHBondContact CA-OG 3.44Å; F491-K497 HydrophobicContact CB-CB 4.43Å; F491-K497 HydrophobicContact CD1-CB 4.05Å; F491-K497 HydrophobicContact CG-CB 4.43Å; F491-V500 HydrophobicContact CE1-CB 4.33Å; F491-V500 HydrophobicContact CE1-CG2 4.36Å
492P67.2Low67.6Low101 Ų10180.5 Ų80.566%0.65643%0.431SS*.SBendtrans-72.4-28.7-177.2-1631.4000113.2Q488 R490Q488-P492 WeakPolarHBondContact O-CA 3.27Å; R490-P492 VanDerWaalsContact C-CD 3.49Å; R490-P492 WeakPolarHBondContact O-CD 3.42Å
493T66.9Low66.4Low86 Ų8685 Ų8553%0.52845%0.445SS..SBendtrans-123.6147-17928.30000111.5E495 S496T493-E495 PolarHBondContact O-N 3.27Å; T493-S496 WeakPolarHBondContact O-CB 3.44Å; T493-S496 PolarHBondContact O-N 3.32Å; T493-S496 VanDerWaalsContact O-N 3.11Å; T493-S496 PolarHBondContact O-OG 3.05Å
494E58Low65Low137 Ų13787.7 Ų87.764%0.6446%0.459SS*.Hα-helixtrans-63-22.2-179.5-74.8-69.2140.400113.2K497 A498E494-K497 PolarHBondContact O-N 3.04Å; E494-K497 IonicContact OE1-NZ 2.82Å; E494-K497 PolarHBondContact OE1-NZ 3.07Å; E494-K497 IonicContact OE2-NZ 2.79Å; E494-K497 PolarHBondContact OE2-NZ 3.42Å; E494-A498 PolarHBondContact O-N 3.17Å
495E56.6Low63.1Low163 Ų16388.8 Ų88.876%0.76247%0.473SS*.Hα-helixtrans-66-41.9173.1-65172.8178.500112.4T493 K497 A498 A499T493-E495 PolarHBondContact O-N 3.27Å; E495-K497 PolarHBondContact O-N 3.25Å; E495-A498 PolarHBondContact O-N 3.19Å; E495-A499 PolarHBondContact O-N 3.31Å; E495-A499 VanDerWaalsContact O-N 3.14Å
496S58.9Low61.3Low33 Ų3387.7 Ų87.723%0.23148%0.479CS..Hα-helixtrans-63.5-27.9177.273.70000112.8F491 T493F491-S496 WeakPolarHBondContact CA-OG 3.44Å; T493-S496 WeakPolarHBondContact O-CB 3.44Å; T493-S496 PolarHBondContact O-N 3.32Å; T493-S496 VanDerWaalsContact O-N 3.11Å; T493-S496 PolarHBondContact O-OG 3.05Å
497K59.6Low59.4Low50 Ų5097.7 Ų97.722%0.21752%0.515CS..Hα-helixtrans-83.2-35.1179.3-177.9178.2162-149.40111.8F491 E494 E495 I501F491-K497 HydrophobicContact CB-CB 4.43Å; F491-K497 HydrophobicContact CD1-CB 4.05Å; F491-K497 HydrophobicContact CG-CB 4.43Å; E494-K497 PolarHBondContact O-N 3.04Å; E494-K497 IonicContact OE1-NZ 2.82Å; E494-K497 PolarHBondContact OE1-NZ 3.07Å; E494-K497 IonicContact OE2-NZ 2.79Å; E494-K497 PolarHBondContact OE2-NZ 3.42Å; E495-K497 PolarHBondContact O-N 3.25Å; K497-I501 HydrophobicContact CG-CD1 3.63Å; K497-I501 WeakPolarHBondContact O-CB 3.21Å; K497-I501 WeakPolarHBondContact O-CG1 3.4Å; K497-I501 PolarHBondContact O-N 3.23Å
498A57.7Low57.6Low50 Ų50105.3 Ų105.341%0.41356%0.555SS.*Hα-helixtrans-71.6-29.1176.100000113.1E494 E495 V500E494-A498 PolarHBondContact O-N 3.17Å; E495-A498 PolarHBondContact O-N 3.19Å; A498-V500 PolarHBondContact O-N 2.89Å
499A59.9Low55.7Low89 Ų89108.5 Ų108.574%0.73657%0.567SS**THydrogen-bonded Turntrans-66.8-22.8176.700000114E495E495-A499 PolarHBondContact O-N 3.31Å; E495-A499 VanDerWaalsContact O-N 3.14Å
500V59.1Low53.8Low57 Ų57107.8 Ų107.835%0.34558%0.577SS.*THydrogen-bonded Turntrans-115.2-28.9-171.9179.30000112.6I462 F491 A498 P502I462-V500 HydrophobicContact CB-CG1 4.21Å; I462-V500 HydrophobicContact CD1-CG1 4.34Å; I462-V500 HydrophobicContact CG1-CG1 3.96Å; I462-V500 HydrophobicContact CG2-CG1 3.34Å; F491-V500 HydrophobicContact CE1-CB 4.33Å; F491-V500 HydrophobicContact CE1-CG2 4.36Å; A498-V500 PolarHBondContact O-N 2.89Å; V500-P502 WeakPolarHBondContact O-CD 3.39Å
501I60Low52Low40 Ų40111.6 Ų111.621%0.20560%0.599CS.*SBendtrans-97.8112.9177-55.2176.4000107.6R473 L476 K497 E503R473-I501 HydrophobicContact CG-CG2 3.97Å; L476-I501 HydrophobicContact CD2-CD1 3.61Å; L476-I501 HydrophobicContact CD2-CG1 3.94Å; K497-I501 HydrophobicContact CG-CD1 3.63Å; K497-I501 WeakPolarHBondContact O-CB 3.21Å; K497-I501 WeakPolarHBondContact O-CG1 3.4Å; K497-I501 PolarHBondContact O-N 3.23Å; I501-E503 PolarHBondContact O-N 2.98Å
502P53.3Low50.3Low75 Ų75118.5 Ų118.549%0.48764%0.636SS.*PPolyproline II helixtrans-56.4136.9177.517.7-27.2000109.5A469 R473 V500A469-P502 HydrophobicContact CB-CG 4.3Å; R473-P502 PolarHBondContact NE-O 2.98Å; R473-P502 PolarHBondContact NH2-O 3.21Å; V500-P502 WeakPolarHBondContact O-CD 3.39Å
503E51.3Low48.7Very low162 Ų162120 Ų12076%0.75764%0.643SS**PPolyproline II helixtrans-66.8166.7-176.4-79.1-159.3145.800113R473 I501R473-E503 PolarHBondContact NH2-O 2.94Å; R473-E503 VanDerWaalsContact NH2-O 3.1Å; I501-E503 PolarHBondContact O-N 2.98Å
504K47.6Very low47.2Very low167 Ų167122.4 Ų122.473%0.72665%0.652SS**PPolyproline II helixtrans-89.6119.5171.1-136.4-178.2-175.5-176.60106.5
505A38.2Very low46.1Very low87 Ų87125.8 Ų125.872%0.71967%0.665SS**PPolyproline II helixtrans-53.9134169.100000109.8R507A505-R507 PolarHBondContact O-N 3.1Å
506P37.6Very low45.2Very low123 Ų123124.8 Ų124.880%0.79966%0.664SS**PPolyproline II helixtrans-66.6124.4-174.225.3-31.5000109.8L508P506-L508 PolarHBondContact O-N 3.2Å
507R37.4Very low44.2Very low227 Ų227131.6 Ų131.686%0.85770%0.697SS**  trans-75.3107.2169-71.8-174.4177.9-180-3.9108.1A505 K509A505-R507 PolarHBondContact O-N 3.1Å; R507-K509 PolarHBondContact O-N 3.33Å
508L38.1Very low43.3Very low169 Ų169138.4 Ų138.489%0.88573%0.727SS**PPolyproline II helixtrans-49.1117.9161.4-81.1147.7000108.8P506P506-L508 PolarHBondContact O-N 3.2Å
509K36.1Very low42.2Very low194 Ų194145.7 Ų145.784%0.84375%0.749SS**PPolyproline II helixtrans-83.1126.9169.2-71.6-178.7177.8178.30108R507R507-K509 PolarHBondContact O-N 3.33Å
510P36.3Very low41.8Very low125 Ų125146.3 Ų146.381%0.81275%0.746SS**PPolyproline II helixtrans-72.4144.8167.729.2-29.9000110.2
511H36.9Very low40.5Very low191 Ų191152.6 Ų152.688%0.88477%0.769SS**PPolyproline II helixtrans-54.9142.7-178-114.6-97.9000113.1
512L39.1Very low39.5Very low162 Ų162158.5 Ų158.585%0.84880%0.796SS**PPolyproline II helixtrans-62.7137.2169.2-76.7157.2000111.2
513V34.7Very low38.9Very low133 Ų133160.6 Ų160.681%0.80681%0.809SS**  trans-122.1122.1152.5-164.80000107.7
514L35.2Very low38.3Very low137 Ų137163 Ų16372%0.71782%0.818SS**  trans-74131.9179.7-74.2147.5000110.8
515F35Very low37.8Very low208 Ų208164 Ų16491%0.91283%0.825SS**  trans-137.8114.5144.4-90.3-79.2000109.9
516N38.3Very low38Very low141 Ų141171.1 Ų171.175%0.75483%0.833SS**  trans-68.9138.2170.4-82.6-49.1000110.4
517L37.1Very low38Very low176 Ų176170.6 Ų170.692%0.92183%0.832SS**  trans-149.8109.7145.4-103.5155.8000109.4
518K40.1Very low37.9Very low193 Ų193170.1 Ų170.184%0.83983%0.831SS**  trans-67.5137.2168.7-71174.6172.1177.30109.6
519K34.5Very low38.2Very low203 Ų203167.7 Ų167.788%0.88383%0.828SS**  -173.9146.5128.1-101.1170.2-174.2-175.30111.7
520P52.5Low38.3Very low102 Ų102167 Ų16766%0.66283%0.825SS**  trans-94.8-172.9-176.839.6-33.2000112.1
521F31.6Very low38.6Very low190 Ų190172.8 Ų172.883%0.83383%0.831SS**  trans108.1137.5175.4-64.9-64.6000113.8
522Q38.8Very low39.1Very low163 Ų163172.1 Ų172.176%0.76286%0.858SS**  cis-161.1167.48.1-115.5-177.7-0.600109.1
523P41.6Very low39.1Very low119 Ų119172.6 Ų172.677%0.77386%0.859SS**PPolyproline II helixtrans-82.2140.3179.933.4-30.4000112.8Q525P523-Q525 PolarHBondContact O-N 3.29Å
524F37.1Very low39.3Very low213 Ų213174.7 Ų174.793%0.93486%0.862SS**PPolyproline II helixtrans-70.4119.4179.4-110.4-99.6000112.1
525Q38.8Very low39.5Very low187 Ų187176.8 Ų176.887%0.87487%0.87SS**PPolyproline II helixtrans-89.7141.2162.8-83.2-171.3-38.400111P523P523-Q525 PolarHBondContact O-N 3.29Å
526R40.4Very low39.8Very low237 Ų237174.9 Ų174.989%0.89487%0.867SS**PPolyproline II helixtrans-72.5136.9177.3-69.7177.9172178.3-2.6111
527S38.6Very low39.9Very low112 Ų112177.1 Ų177.178%0.78387%0.874SS**  trans-127.3112158.258.60000110
528W35.2Very low40.1Very low217 Ų217177.1 Ų177.182%0.82287%0.871SS**  trans-69.7135.1161.4-84.437.2000108.7F530W528-F530 HydrophobicContact CE3-CE2 4.13Å; W528-F530 HydrophobicContact CZ3-CE2 4.24Å
529S44.1Very low40.1Very low118 Ų118176 Ų17683%0.82587%0.873SS**  trans-119.7112.8163.8540000108.9
530F38.9Very low40.5Very low179 Ų179173.9 Ų173.979%0.78587%0.873SS**  trans-71.4140.7158.4-97.1-97.9000108.3W528W528-F530 HydrophobicContact CE3-CE2 4.13Å; W528-F530 HydrophobicContact CZ3-CE2 4.24Å
531R42.8Very low39.5Very low247 Ų247179.9 Ų179.993%0.93289%0.89SS**  trans-128.2134.7148.4-86.7-166.8-177.2-159.81.3109.2
532A45.9Very low40.2Very low177 Ų177179 Ų179100%1.46390%0.895SS**  trans-66.3017700000112.7

Retrieved 532 of 532 residues in 2964.9 ms (Link to these results)

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