A0A087Y1D1_POEFO Loading...

VPS9 domain containing 1

AlphaFold DB (A0A3B3URU0), UniProt , Accession A0A087Y1D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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
1M34.3Very low55Low254 Ų25494.3 Ų94.3100%1.25160%0.601SS**  0130.60-73.9175.6169.800107.2
2A36.7Very low57.2Low108 Ų10886.4 Ų86.489%0.89355%0.551SS**  trans-109.8133.5179.600000109.5
3D30.3Very low59.1Low173 Ų17388 Ų8893%0.92555%0.549SS*.  trans-167.3157.3146-16613.5000109.2
4G32.1Very low60.8Low62 Ų6293.3 Ų93.364%0.63956%0.56SS**  trans105.138.6157.900000118.6G6G4-G6 PolarHBondContact O-N 2.99Å
5G37.8Very low62.4Low93 Ų9390.4 Ų90.496%0.95954%0.539SS*.  trans-68.663162.800000112.8
6G45Very low63.7Low37 Ų3785.5 Ų85.538%0.38151%0.512SS..  trans-84.9135.5-178.900000112.2G4G4-G6 PolarHBondContact O-N 2.99Å
7K73.2Confident64.8Low112 Ų11288.5 Ų88.549%0.48752%0.517SS..  trans-56.4145.6175.8-70.1-178.4158.5-155.60111.1L9 Q10 S11 E54K7-L9 PolarHBondContact O-N 3.38Å; K7-L9 VanDerWaalsContact O-N 3.14Å; K7-Q10 HydrophobicContact CB-CG 4.22Å; K7-Q10 WeakPolarHBondContact O-CA 3.23Å; K7-Q10 WeakPolarHBondContact O-CB 3.39Å; K7-Q10 PolarHBondContact O-N 3.16Å; K7-S11 PolarHBondContact O-N 3.22Å; K7-E54 IonicContact NZ-OE1 3.21Å; K7-E54 PolarHBondContact NZ-OE1 3Å
8P75.8Confident65.8Low26 Ų2688.7 Ų88.717%0.16951%0.512CS..Hα-helixtrans-52.8-40-178.616-29.6000113.7Q10 S11 A12 I45P8-Q10 VanDerWaalsContact C-N 3.33Å; P8-Q10 PolarHBondContact O-N 3.41Å; P8-S11 WeakPolarHBondContact O-CB 3.28Å; P8-S11 PolarHBondContact O-N 3.26Å; P8-A12 PolarHBondContact O-N 2.89Å; P8-I45 HydrophobicContact CB-CG1 4.43Å; P8-I45 HydrophobicContact CB-CG2 3.74Å; P8-I45 HydrophobicContact CG-CG2 4.32Å
9L78.7Confident66.8Low14 Ų1484.1 Ų84.17%0.07349%0.485CS..Hα-helixtrans-59.5-38.2174.3176.862.2000113.1K7 A12 M13 E54 R57 M58K7-L9 PolarHBondContact O-N 3.38Å; K7-L9 VanDerWaalsContact O-N 3.14Å; L9-A12 PolarHBondContact O-N 2.87Å; L9-M13 HydrophobicContact CD1-CG 4.34Å; L9-M13 HydrophobicContact CD1-SD 4.44Å; L9-M13 HydrophobicContact CG-SD 4.32Å; L9-M13 VanDerWaalsContact O-CG 3.3Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 3.3Å; L9-E54 VanDerWaalsContact CB-OE2 3.25Å; L9-E54 WeakPolarHBondContact CB-OE2 3.43Å; L9-E54 HydrophobicContact CD2-CB 4.4Å; L9-E54 HydrophobicContact CD2-CG 4.32Å; L9-R57 HydrophobicContact CD1-CB 3.97Å; L9-R57 HydrophobicContact CD2-CB 3.91Å; L9-M58 HydrophobicContact CB-CG 4.19Å; L9-M58 HydrophobicContact CD1-CG 3.67Å; L9-M58 HydrophobicContact CG-CG 4.49Å
10Q78.4Confident67.6Low116 Ų11684.3 Ų84.354%0.54248%0.484SS..Hα-helixtrans-68.4-37.9178.2-67176.1-19.300111.5K7 P8 M13 K14K7-Q10 HydrophobicContact CB-CG 4.22Å; K7-Q10 WeakPolarHBondContact O-CA 3.23Å; K7-Q10 WeakPolarHBondContact O-CB 3.39Å; K7-Q10 PolarHBondContact O-N 3.16Å; P8-Q10 VanDerWaalsContact C-N 3.33Å; P8-Q10 PolarHBondContact O-N 3.41Å; Q10-M13 PolarHBondContact O-N 3.14Å; Q10-K14 WeakPolarHBondContact O-CB 3.32Å; Q10-K14 PolarHBondContact O-N 2.93Å
11S82.4Confident68.1Low42 Ų4286.1 Ų86.129%0.29449%0.488SS..Hα-helixtrans-64.1-43.9173.7-65.10000111.6K7 P8 K14 M15 Y41K7-S11 PolarHBondContact O-N 3.22Å; P8-S11 WeakPolarHBondContact O-CB 3.28Å; P8-S11 PolarHBondContact O-N 3.26Å; S11-K14 PolarHBondContact O-N 2.75Å; S11-M15 PolarHBondContact O-N 3.4Å; S11-Y41 WeakPolarHBondContact CB-OH 3.42Å
12A82.2Confident70.5Confident0 Ų075.2 Ų75.20%043%0.434CS..Hα-helixtrans-60.2-47.3173.400000112.3P8 L9 K14 M15 A16 Y41 I42P8-A12 PolarHBondContact O-N 2.89Å; L9-A12 PolarHBondContact O-N 2.87Å; A12-K14 VanDerWaalsContact C-N 3.3Å; A12-K14 PolarHBondContact O-N 3.44Å; A12-M15 PolarHBondContact O-N 3.15Å; A12-A16 PolarHBondContact O-N 2.95Å; A12-Y41 HydrophobicContact CB-CD1 4.16Å; A12-Y41 HydrophobicContact CB-CE1 4.1Å; A12-I42 HydrophobicContact CB-CD1 4.09Å; A12-I42 HydrophobicContact CB-CG1 3.78Å
13M81.1Confident72.6Confident107 Ų10772.2 Ų72.253%0.52740%0.402SS..Hα-helixtrans-62.5-34.7176.3-71.4-179.77600112.9L9 Q10 K17 V61L9-M13 HydrophobicContact CD1-CG 4.34Å; L9-M13 HydrophobicContact CD1-SD 4.44Å; L9-M13 HydrophobicContact CG-SD 4.32Å; L9-M13 VanDerWaalsContact O-CG 3.3Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 3.3Å; Q10-M13 PolarHBondContact O-N 3.14Å; M13-K17 WeakPolarHBondContact O-CB 3.49Å; M13-K17 PolarHBondContact O-N 3.23Å; M13-V61 HydrophobicContact CG-CG2 4.23Å
14K82.9Confident74.6Confident162 Ų16267.5 Ų67.570%0.70439%0.394SS*.Hα-helixtrans-66.5-42.3176-173.5179.1177.9-176.90111.6Q10 S11 A12 K17 Q18Q10-K14 WeakPolarHBondContact O-CB 3.32Å; Q10-K14 PolarHBondContact O-N 2.93Å; S11-K14 PolarHBondContact O-N 2.75Å; A12-K14 VanDerWaalsContact C-N 3.3Å; A12-K14 PolarHBondContact O-N 3.44Å; K14-K17 PolarHBondContact O-N 2.87Å; K14-Q18 PolarHBondContact O-N 3.43Å
15M85.8Confident76.6Confident50 Ų5067.4 Ų67.425%0.24639%0.388CS..Hα-helixtrans-67.7-42.7175.3-73.7-176.4-77.100112.4S11 A12 K17 Q18 A19 T38 Y41S11-M15 PolarHBondContact O-N 3.4Å; A12-M15 PolarHBondContact O-N 3.15Å; M15-K17 VanDerWaalsContact C-N 3.31Å; M15-K17 PolarHBondContact O-N 2.88Å; M15-Q18 WeakPolarHBondContact O-CB 3.41Å; M15-Q18 PolarHBondContact O-N 2.79Å; M15-Q18 VanDerWaalsContact O-N 3.1Å; M15-A19 PolarHBondContact O-N 3.22Å; M15-T38 HydrophobicContact CB-CG2 4.12Å; M15-T38 WeakPolarHBondContact CB-OG1 3.23Å; M15-Y41 HydrophobicContact CE-CD1 3.31Å; M15-Y41 HydrophobicContact CE-CD2 3.84Å; M15-Y41 HydrophobicContact CE-CE1 3.69Å; M15-Y41 HydrophobicContact CE-CE2 4.18Å; M15-Y41 HydrophobicContact CE-CG 3.39Å
16A83.4Confident78Confident12 Ų1268.7 Ų68.710%0.09937%0.372CS..Hα-helixtrans-56.9-44.3172.600000111.8A12 Q18 A19 I20 T38 V61A12-A16 PolarHBondContact O-N 2.95Å; A16-Q18 VanDerWaalsContact C-N 3.33Å; A16-Q18 PolarHBondContact O-N 3.26Å; A16-A19 PolarHBondContact O-N 3.24Å; A16-I20 WeakPolarHBondContact O-CG1 3.48Å; A16-I20 PolarHBondContact O-N 2.57Å; A16-T38 HydrophobicContact CB-CG2 4.15Å; A16-V61 HydrophobicContact CB-CG1 3.99Å
17K80.9Confident79.7Confident136 Ų13673.2 Ų73.259%0.59138%0.378SS*.Hα-helixtrans-63.6-35.9176.4-171.6175-178.3178.20112.6M13 K14 M15 I20 Q21M13-K17 WeakPolarHBondContact O-CB 3.49Å; M13-K17 PolarHBondContact O-N 3.23Å; K14-K17 PolarHBondContact O-N 2.87Å; M15-K17 VanDerWaalsContact C-N 3.31Å; M15-K17 PolarHBondContact O-N 2.88Å; K17-I20 PolarHBondContact O-N 3.21Å; K17-Q21 WeakPolarHBondContact O-CG 3.19Å; K17-Q21 PolarHBondContact O-N 3.48Å
18Q83.8Confident80.1Confident93 Ų9371.8 Ų71.844%0.43537%0.373SS..Hα-helixtrans-66.9-40174.7-173.91770.400111.8K14 M15 A16 Q21 L22K14-Q18 PolarHBondContact O-N 3.43Å; M15-Q18 WeakPolarHBondContact O-CB 3.41Å; M15-Q18 PolarHBondContact O-N 2.79Å; M15-Q18 VanDerWaalsContact O-N 3.1Å; A16-Q18 VanDerWaalsContact C-N 3.33Å; A16-Q18 PolarHBondContact O-N 3.26Å; Q18-Q21 PolarHBondContact O-N 3.12Å; Q18-L22 WeakPolarHBondContact O-CG 3.42Å; Q18-L22 PolarHBondContact O-N 3.19Å; Q18-L22 VanDerWaalsContact O-N 3.09Å
19A83.8Confident80.4Confident0 Ų077.1 Ų77.10%040%0.396CS..Hα-helixtrans-62.4-43.3174.700000112M15 A16 Q21 L22 E23 Q34 Y35M15-A19 PolarHBondContact O-N 3.22Å; A16-A19 PolarHBondContact O-N 3.24Å; A19-Q21 VanDerWaalsContact C-N 3.33Å; A19-Q21 PolarHBondContact O-N 2.95Å; A19-L22 PolarHBondContact O-N 2.85Å; A19-E23 PolarHBondContact O-N 3.44Å; A19-Q34 HydrophobicContact CB-CB 3.86Å; A19-Y35 HydrophobicContact CB-CD1 3.54Å; A19-Y35 HydrophobicContact CB-CD2 4.14Å; A19-Y35 HydrophobicContact CB-CE1 3.53Å; A19-Y35 HydrophobicContact CB-CE2 4.12Å; A19-Y35 HydrophobicContact CB-CG 3.86Å
20I83.3Confident80.7Confident89 Ų8980.3 Ų80.346%0.45641%0.41SS..Hα-helixtrans-62.4-37.6175-64.8163.2000111.7A16 K17 E23 G24 Y35A16-I20 WeakPolarHBondContact O-CG1 3.48Å; A16-I20 PolarHBondContact O-N 2.57Å; K17-I20 PolarHBondContact O-N 3.21Å; I20-E23 PolarHBondContact O-N 2.55Å; I20-G24 PolarHBondContact O-N 3.2Å; I20-Y35 HydrophobicContact CG1-CE1 4.22Å; I20-Y35 VanDerWaalsContact CG1-OH 3.24Å; I20-Y35 WeakPolarHBondContact CG1-OH 3.35Å
21Q79.2Confident81Confident123 Ų12374.8 Ų74.858%0.57539%0.385SS*.Hα-helixtrans-66.4-36.1175.7-76175.1-13.400112.6K17 Q18 A19 G24 A25K17-Q21 WeakPolarHBondContact O-CG 3.19Å; K17-Q21 PolarHBondContact O-N 3.48Å; Q18-Q21 PolarHBondContact O-N 3.12Å; A19-Q21 VanDerWaalsContact C-N 3.33Å; A19-Q21 PolarHBondContact O-N 2.95Å; Q21-G24 PolarHBondContact O-N 3.41Å; Q21-A25 WeakPolarHBondContact O-CB 3.39Å; Q21-A25 PolarHBondContact O-N 3.3Å
22L83.3Confident81.3Confident24 Ų2476.2 Ų76.213%0.12638%0.384CS..Hα-helixtrans-71-34.2175.2-68.6165.6000112.1Q18 A19 A25 R27 E30 A31 Q34Q18-L22 WeakPolarHBondContact O-CG 3.42Å; Q18-L22 PolarHBondContact O-N 3.19Å; Q18-L22 VanDerWaalsContact O-N 3.09Å; A19-L22 PolarHBondContact O-N 2.85Å; L22-A25 PolarHBondContact O-N 2.71Å; L22-R27 HydrophobicContact CD2-CB 4.36Å; L22-R27 PolarHBondContact O-N 3.46Å; L22-R27 VanDerWaalsContact O-N 3.13Å; L22-E30 HydrophobicContact CD1-CB 4.34Å; L22-A31 HydrophobicContact CB-CB 3.89Å; L22-Q34 HydrophobicContact CD1-CB 4.38Å; L22-Q34 HydrophobicContact CD1-CG 3.71Å
23E81.8Confident81.6Confident45 Ų4578.7 Ų78.721%0.2140%0.401CS..Hα-helixtrans-62.3-41.7171-178.2178.1156.300111.2A19 I20 A25 A31 Y35 R68 F72A19-E23 PolarHBondContact O-N 3.44Å; I20-E23 PolarHBondContact O-N 2.55Å; E23-A25 VanDerWaalsContact C-N 3.27Å; E23-A25 PolarHBondContact O-N 2.88Å; E23-A31 HydrophobicContact CB-CB 4.06Å; E23-Y35 WeakPolarHBondContact OE2-CE2 3.41Å; E23-Y35 PolarHBondContact OE2-OH 3.32Å; E23-R68 IonicContact OE1-CZ 3.11Å; E23-R68 IonicContact OE1-NH1 2.76Å; E23-R68 PolarHBondContact OE1-NH1 3.18Å; E23-R68 IonicContact OE2-NH1 3.47Å; E23-F72 HydrophobicContact CB-CZ 4.39Å; E23-F72 HydrophobicContact CG-CZ 3.94Å
24G72Confident81.9Confident74 Ų7475.4 Ų75.476%0.76338%0.384SS*.Hα-helixtrans-71.7-13.4174.900000115.5I20 Q21I20-G24 PolarHBondContact O-N 3.2Å; Q21-G24 PolarHBondContact O-N 3.41Å
25A73.3Confident82.2Confident61 Ų6167.8 Ų67.850%0.50435%0.351SS..THydrogen-bonded Turntrans-103.615.9179.200000113.2Q21 L22 E23 R27Q21-A25 WeakPolarHBondContact O-CB 3.39Å; Q21-A25 PolarHBondContact O-N 3.3Å; L22-A25 PolarHBondContact O-N 2.71Å; E23-A25 VanDerWaalsContact C-N 3.27Å; E23-A25 PolarHBondContact O-N 2.88Å; A25-R27 PolarHBondContact O-N 3.32Å; A25-R27 VanDerWaalsContact O-N 3.08Å
26D68.6Low82.5Confident119 Ų11968.9 Ų68.964%0.63636%0.357SS*.THydrogen-bonded Turntrans5715.9-176.8-153.526.3000115.6Q28D26-Q28 PolarHBondContact O-N 2.94Å; D26-Q28 PolarHBondContact OD1-NE2 2.87Å
27R80.8Confident82.7Confident132 Ų13275.4 Ų75.450%0.49838%0.38SS..  trans-86.957.4175.5-66176.276.2168.94.1110.3L22 A25 Q29 E30 A31L22-R27 HydrophobicContact CD2-CB 4.36Å; L22-R27 PolarHBondContact O-N 3.46Å; L22-R27 VanDerWaalsContact O-N 3.13Å; A25-R27 PolarHBondContact O-N 3.32Å; A25-R27 VanDerWaalsContact O-N 3.08Å; R27-Q29 VanDerWaalsContact C-N 3.34Å; R27-Q29 PolarHBondContact O-N 3.41Å; R27-E30 HydrophobicContact CB-CB 4.33Å; R27-E30 IonicContact CZ-OE1 3.86Å; R27-E30 IonicContact CZ-OE2 3.27Å; R27-E30 VanDerWaalsContact NE-CD 3.29Å; R27-E30 IonicContact NE-OE1 3.51Å; R27-E30 PolarHBondContact NE-OE1 3.33Å; R27-E30 IonicContact NE-OE2 3.64Å; R27-E30 PolarHBondContact NE-OE2 3.35Å; R27-E30 IonicContact NH2-OE1 2.67Å; R27-E30 PolarHBondContact NH2-OE1 3.06Å; R27-E30 IonicContact NH2-OE2 2.72Å; R27-E30 PolarHBondContact NH2-OE2 3.36Å; R27-E30 PolarHBondContact O-N 3.28Å; R27-A31 PolarHBondContact O-N 3.47Å
28Q81.2Confident83.1Confident82 Ų8269 Ų6938%0.38335%0.351SS..Hα-helixtrans-57-40.4-166.7-58.8-171.723.400113.9D26 A31 Y32 F72D26-Q28 PolarHBondContact O-N 2.94Å; D26-Q28 PolarHBondContact OD1-NE2 2.87Å; Q28-A31 PolarHBondContact O-N 3.4Å; Q28-Y32 WeakPolarHBondContact O-CB 3.42Å; Q28-Y32 PolarHBondContact O-N 3.12Å; Q28-F72 HydrophobicContact CB-CD1 4.03Å; Q28-F72 HydrophobicContact CB-CE1 3.77Å; Q28-F72 HydrophobicContact CG-CE1 4.12Å
29Q82.4Confident83.4Confident139 Ų13966.1 Ų66.165%0.6534%0.339SS*.Hα-helixtrans-66.4-37.3177.5-177.8171.4-6.900112.5R27 C33R27-Q29 VanDerWaalsContact C-N 3.34Å; R27-Q29 PolarHBondContact O-N 3.41Å; Q29-C33 PolarHBondContact O-N 3.45Å; Q29-C33 VanDerWaalsContact O-N 3.11Å; Q29-C33 PolarHBondContact O-SG 3.16Å; Q29-C33 VanDerWaalsContact O-SG 3.37Å
30E83.7Confident83.7Confident81 Ų8170.5 Ų70.538%0.37936%0.362SS..Hα-helixtrans-74.7-38.6178-65.9177.8-131.400111.6L22 R27 Y32 C33 Q34L22-E30 HydrophobicContact CD1-CB 4.34Å; R27-E30 HydrophobicContact CB-CB 4.33Å; R27-E30 IonicContact CZ-OE1 3.86Å; R27-E30 IonicContact CZ-OE2 3.27Å; R27-E30 VanDerWaalsContact NE-CD 3.29Å; R27-E30 IonicContact NE-OE1 3.51Å; R27-E30 PolarHBondContact NE-OE1 3.33Å; R27-E30 IonicContact NE-OE2 3.64Å; R27-E30 PolarHBondContact NE-OE2 3.35Å; R27-E30 IonicContact NH2-OE1 2.67Å; R27-E30 PolarHBondContact NH2-OE1 3.06Å; R27-E30 IonicContact NH2-OE2 2.72Å; R27-E30 PolarHBondContact NH2-OE2 3.36Å; R27-E30 PolarHBondContact O-N 3.28Å; E30-Y32 VanDerWaalsContact C-N 3.34Å; E30-Y32 PolarHBondContact O-N 3.39Å; E30-C33 PolarHBondContact O-N 2.93Å; E30-Q34 WeakPolarHBondContact O-CB 3.26Å; E30-Q34 VanDerWaalsContact O-CG 3.27Å; E30-Q34 WeakPolarHBondContact O-CG 3.02Å; E30-Q34 PolarHBondContact O-N 2.97Å
31A86.2Confident83.9Confident0 Ų069.3 Ų69.30%035%0.353CS..Hα-helixtrans-56.1-49.1171.600000110.9L22 E23 R27 Q28 C33 Q34 Y35 F72L22-A31 HydrophobicContact CB-CB 3.89Å; E23-A31 HydrophobicContact CB-CB 4.06Å; R27-A31 PolarHBondContact O-N 3.47Å; Q28-A31 PolarHBondContact O-N 3.4Å; A31-C33 PolarHBondContact O-N 3.29Å; A31-Q34 PolarHBondContact O-N 3.46Å; A31-Y35 HydrophobicContact CB-CE2 4.38Å; A31-Y35 WeakPolarHBondContact O-CD2 3.43Å; A31-Y35 PolarHBondContact O-N 3.25Å; A31-F72 HydrophobicContact CB-CZ 4.15Å
32Y88.3Confident84.3Confident71 Ų7163.6 Ų63.628%0.27833%0.326SS..Hα-helixtrans-55.8-50.1175.1176.5-96.4000112.6Q28 E30 Q34 Y35 L36 A69 F72Q28-Y32 WeakPolarHBondContact O-CB 3.42Å; Q28-Y32 PolarHBondContact O-N 3.12Å; E30-Y32 VanDerWaalsContact C-N 3.34Å; E30-Y32 PolarHBondContact O-N 3.39Å; Y32-Q34 VanDerWaalsContact C-N 3.3Å; Y32-Q34 PolarHBondContact O-N 3.05Å; Y32-Y35 PolarHBondContact O-N 3.32Å; Y32-L36 HydrophobicContact CD1-CD1 4.24Å; Y32-L36 HydrophobicContact CE1-CD1 3.56Å; Y32-L36 HydrophobicContact CE1-CG 4.4Å; Y32-L36 PolarHBondContact O-N 3.29Å; Y32-L36 VanDerWaalsContact O-N 3.16Å; Y32-A69 HydrophobicContact CD2-CB 4.14Å; Y32-A69 HydrophobicContact CE2-CB 4.12Å; Y32-F72 HydrophobicContact CD2-CB 4.26Å; Y32-F72 HydrophobicContact CD2-CD2 4.35Å
33C87.4Confident84.5Confident53 Ų5365.1 Ų65.136%0.35834%0.339SS..Hα-helixtrans-62.7-33.9177.5-69.60000113.1Q29 E30 A31 R37Q29-C33 PolarHBondContact O-N 3.45Å; Q29-C33 VanDerWaalsContact O-N 3.11Å; Q29-C33 PolarHBondContact O-SG 3.16Å; Q29-C33 VanDerWaalsContact O-SG 3.37Å; E30-C33 PolarHBondContact O-N 2.93Å; A31-C33 PolarHBondContact O-N 3.29Å; C33-R37 WeakPolarHBondContact O-CG 3.47Å; C33-R37 PolarHBondContact O-N 3.21Å
34Q87.6Confident84.6Confident38 Ų3867.5 Ų67.518%0.17835%0.35CS..Hα-helixtrans-76.2-31.9177.4-66.5-69.417.400113.1A19 L22 E30 A31 Y32 R37 T38A19-Q34 HydrophobicContact CB-CB 3.86Å; L22-Q34 HydrophobicContact CD1-CB 4.38Å; L22-Q34 HydrophobicContact CD1-CG 3.71Å; E30-Q34 WeakPolarHBondContact O-CB 3.26Å; E30-Q34 VanDerWaalsContact O-CG 3.27Å; E30-Q34 WeakPolarHBondContact O-CG 3.02Å; E30-Q34 PolarHBondContact O-N 2.97Å; A31-Q34 PolarHBondContact O-N 3.46Å; Y32-Q34 VanDerWaalsContact C-N 3.3Å; Y32-Q34 PolarHBondContact O-N 3.05Å; Q34-R37 PolarHBondContact O-N 2.85Å; Q34-T38 WeakPolarHBondContact O-CB 3.3Å; Q34-T38 PolarHBondContact O-N 3.41Å; Q34-T38 PolarHBondContact O-OG1 3.14Å
35Y90.3Very high85.1Confident2 Ų265.1 Ų65.11%0.00832%0.319CS..Hα-helixtrans-60.7-46.2169.1-75.2-57.5000111.1A19 I20 E23 A31 Y32 T38 I39 C65 R68 F72A19-Y35 HydrophobicContact CB-CD1 3.54Å; A19-Y35 HydrophobicContact CB-CD2 4.14Å; A19-Y35 HydrophobicContact CB-CE1 3.53Å; A19-Y35 HydrophobicContact CB-CE2 4.12Å; A19-Y35 HydrophobicContact CB-CG 3.86Å; I20-Y35 HydrophobicContact CG1-CE1 4.22Å; I20-Y35 VanDerWaalsContact CG1-OH 3.24Å; I20-Y35 WeakPolarHBondContact CG1-OH 3.35Å; E23-Y35 WeakPolarHBondContact OE2-CE2 3.41Å; E23-Y35 PolarHBondContact OE2-OH 3.32Å; A31-Y35 HydrophobicContact CB-CE2 4.38Å; A31-Y35 WeakPolarHBondContact O-CD2 3.43Å; A31-Y35 PolarHBondContact O-N 3.25Å; Y32-Y35 PolarHBondContact O-N 3.32Å; Y35-T38 WeakPolarHBondContact O-CB 3.3Å; Y35-T38 PolarHBondContact O-N 3.07Å; Y35-I39 WeakPolarHBondContact O-CG1 3.3Å; Y35-I39 PolarHBondContact O-N 3.16Å; Y35-C65 HydrophobicContact CD1-CB 3.8Å; Y35-R68 HydrophobicContact CD1-CB 4.3Å; Y35-R68 HydrophobicContact CD2-CB 4.18Å; Y35-R68 HydrophobicContact CE1-CB 3.88Å; Y35-R68 HydrophobicContact CE1-CG 4.25Å; Y35-R68 HydrophobicContact CE2-CB 3.75Å; Y35-R68 HydrophobicContact CG-CB 4.45Å; Y35-F72 HydrophobicContact CD2-CE2 4.07Å; Y35-F72 AromaticContact CE2-CE2 3.86Å; Y35-F72 HydrophobicContact CE2-CE2 3.86Å; Y35-F72 HydrophobicContact CE2-CZ 4.37Å
36L90.8Very high85.5Confident72 Ų7264.4 Ų64.438%0.37731%0.306SS..Hα-helixtrans-63.6-41176.4-65.7-178.1000113.1Y32 T38 I39 N40Y32-L36 HydrophobicContact CD1-CD1 4.24Å; Y32-L36 HydrophobicContact CE1-CD1 3.56Å; Y32-L36 HydrophobicContact CE1-CG 4.4Å; Y32-L36 PolarHBondContact O-N 3.29Å; Y32-L36 VanDerWaalsContact O-N 3.16Å; L36-T38 VanDerWaalsContact C-N 3.31Å; L36-T38 PolarHBondContact O-N 3.33Å; L36-I39 HydrophobicContact CD2-CD1 4.47Å; L36-I39 PolarHBondContact O-N 3.48Å; L36-N40 WeakPolarHBondContact O-CB 3.23Å; L36-N40 PolarHBondContact O-N 3.41Å
37R89.1Confident85.9Confident150 Ų15065.6 Ų65.657%0.56631%0.312SS*.Hα-helixtrans-61.5-38.8173.8-75.9169.1176.9170.60.5112.5C33 Q34 N40 Y41C33-R37 WeakPolarHBondContact O-CG 3.47Å; C33-R37 PolarHBondContact O-N 3.21Å; Q34-R37 PolarHBondContact O-N 2.85Å; R37-N40 PolarHBondContact O-N 2.96Å; R37-Y41 WeakPolarHBondContact O-CB 3.39Å; R37-Y41 PolarHBondContact O-N 3.17Å
38T87.6Confident85.4Confident0 Ų066.5 Ų66.50%032%0.322CS..Hα-helixtrans-64.4-42.4176.9-54.20000111.1M15 A16 Q34 Y35 L36 I42M15-T38 HydrophobicContact CB-CG2 4.12Å; M15-T38 WeakPolarHBondContact CB-OG1 3.23Å; A16-T38 HydrophobicContact CB-CG2 4.15Å; Q34-T38 WeakPolarHBondContact O-CB 3.3Å; Q34-T38 PolarHBondContact O-N 3.41Å; Q34-T38 PolarHBondContact O-OG1 3.14Å; Y35-T38 WeakPolarHBondContact O-CB 3.3Å; Y35-T38 PolarHBondContact O-N 3.07Å; L36-T38 VanDerWaalsContact C-N 3.31Å; L36-T38 PolarHBondContact O-N 3.33Å; T38-I42 HydrophobicContact CG2-CD1 4.11Å; T38-I42 WeakPolarHBondContact O-CD1 3.36Å; T38-I42 VanDerWaalsContact O-CG1 3.3Å; T38-I42 WeakPolarHBondContact O-CG1 3.4Å; T38-I42 PolarHBondContact O-N 2.95Å; T38-I42 VanDerWaalsContact O-N 3.08Å
39I91.3Very high84.5Confident34 Ų3467.1 Ų67.117%0.17433%0.325CS..Hα-helixtrans-63.1-49.9175.5-65163.1000110.6Y35 L36 Y41 I42 S43 A62 C65 L66Y35-I39 WeakPolarHBondContact O-CG1 3.3Å; Y35-I39 PolarHBondContact O-N 3.16Å; L36-I39 HydrophobicContact CD2-CD1 4.47Å; L36-I39 PolarHBondContact O-N 3.48Å; I39-Y41 VanDerWaalsContact C-N 3.34Å; I39-Y41 PolarHBondContact O-N 2.95Å; I39-I42 WeakPolarHBondContact O-CB 3.4Å; I39-I42 PolarHBondContact O-N 3.48Å; I39-I42 VanDerWaalsContact O-N 3.12Å; I39-S43 PolarHBondContact O-N 3.35Å; I39-S43 PolarHBondContact O-OG 3.02Å; I39-A62 HydrophobicContact CG1-CB 4.42Å; I39-C65 HydrophobicContact CD1-CB 4Å; I39-C65 HydrophobicContact CG1-CB 3.79Å; I39-L66 HydrophobicContact CD1-CB 3.98Å; I39-L66 HydrophobicContact CD1-CD1 4.31Å
40N88.9Confident83.2Confident91 Ų9168.8 Ų68.849%0.48733%0.333SS..Hα-helixtrans-59.8-41179.4172.5-99.3000112.5L36 R37 S43 H44L36-N40 WeakPolarHBondContact O-CB 3.23Å; L36-N40 PolarHBondContact O-N 3.41Å; R37-N40 PolarHBondContact O-N 2.96Å; N40-S43 PolarHBondContact O-N 3.4Å; N40-H44 PolarHBondContact ND2-NE2 3.3Å; N40-H44 PolarHBondContact O-CD2 2.81Å; N40-H44 VanDerWaalsContact O-CD2 3.28Å; N40-H44 PolarHBondContact O-N 2.95Å; N40-H44 PolarHBondContact OD1-CD2 3.01Å
41Y87.9Confident81.9Confident65 Ų6566.1 Ų66.126%0.25532%0.322SS..Hα-helixtrans-60-45.9172.9173.7-97.8000112.2S11 A12 M15 R37 I39 S43 H44 I45S11-Y41 WeakPolarHBondContact CB-OH 3.42Å; A12-Y41 HydrophobicContact CB-CD1 4.16Å; A12-Y41 HydrophobicContact CB-CE1 4.1Å; M15-Y41 HydrophobicContact CE-CD1 3.31Å; M15-Y41 HydrophobicContact CE-CD2 3.84Å; M15-Y41 HydrophobicContact CE-CE1 3.69Å; M15-Y41 HydrophobicContact CE-CE2 4.18Å; M15-Y41 HydrophobicContact CE-CG 3.39Å; R37-Y41 WeakPolarHBondContact O-CB 3.39Å; R37-Y41 PolarHBondContact O-N 3.17Å; I39-Y41 VanDerWaalsContact C-N 3.34Å; I39-Y41 PolarHBondContact O-N 2.95Å; Y41-S43 VanDerWaalsContact C-N 3.35Å; Y41-S43 PolarHBondContact O-N 3.39Å; Y41-H44 PolarHBondContact O-N 2.74Å; Y41-I45 HydrophobicContact CD1-CG1 4.4Å; Y41-I45 HydrophobicContact CD2-CG1 4.43Å; Y41-I45 HydrophobicContact CE1-CG1 3.97Å; Y41-I45 HydrophobicContact CE2-CD1 4.11Å; Y41-I45 HydrophobicContact CE2-CG1 3.98Å; Y41-I45 WeakPolarHBondContact O-CG1 3.49Å; Y41-I45 PolarHBondContact O-N 3.45Å; Y41-I45 VanDerWaalsContact O-N 3.07Å
42I86.9Confident80.4Confident2 Ų274.3 Ų74.31%0.0136%0.36CS..Hα-helixtrans-59.7-46.4177-70.8162.4000110.4A12 T38 I39 H44 I45 L46 M58 V61 A62A12-I42 HydrophobicContact CB-CD1 4.09Å; A12-I42 HydrophobicContact CB-CG1 3.78Å; T38-I42 HydrophobicContact CG2-CD1 4.11Å; T38-I42 WeakPolarHBondContact O-CD1 3.36Å; T38-I42 VanDerWaalsContact O-CG1 3.3Å; T38-I42 WeakPolarHBondContact O-CG1 3.4Å; T38-I42 PolarHBondContact O-N 2.95Å; T38-I42 VanDerWaalsContact O-N 3.08Å; I39-I42 WeakPolarHBondContact O-CB 3.4Å; I39-I42 PolarHBondContact O-N 3.48Å; I39-I42 VanDerWaalsContact O-N 3.12Å; I42-H44 PolarHBondContact O-N 3.28Å; I42-I45 PolarHBondContact O-N 3.23Å; I42-L46 HydrophobicContact CG2-CD1 3.73Å; I42-L46 HydrophobicContact CG2-CG 4.27Å; I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.31Å; I42-L46 PolarHBondContact O-N 3.31Å; I42-M58 HydrophobicContact CB-CE 4.37Å; I42-M58 HydrophobicContact CG1-CE 4.21Å; I42-M58 HydrophobicContact CG2-CB 3.99Å; I42-M58 HydrophobicContact CG2-CE 4.18Å; I42-V61 HydrophobicContact CD1-CB 4.16Å; I42-V61 HydrophobicContact CD1-CG1 3.89Å; I42-A62 HydrophobicContact CD1-CB 3.92Å; I42-A62 HydrophobicContact CG2-CB 4.16Å
43S87.7Confident79.1Confident57 Ų5774.3 Ų74.340%0.39938%0.381SS..Hα-helixtrans-57.8-44.8176.2-59.30000112.5I39 N40 Y41 L46 L47I39-S43 PolarHBondContact O-N 3.35Å; I39-S43 PolarHBondContact O-OG 3.02Å; N40-S43 PolarHBondContact O-N 3.4Å; Y41-S43 VanDerWaalsContact C-N 3.35Å; Y41-S43 PolarHBondContact O-N 3.39Å; S43-L46 PolarHBondContact O-N 2.93Å; S43-L47 WeakPolarHBondContact O-CD1 3.25Å; S43-L47 VanDerWaalsContact O-CG 3.26Å; S43-L47 WeakPolarHBondContact O-CG 3.34Å; S43-L47 PolarHBondContact O-N 3.33Å
44H83.8Confident78.2Confident95 Ų9573.4 Ų73.444%0.4437%0.372SS..Hα-helixtrans-65.1-41.3179.3-84.2-65.1000113.3N40 Y41 I42 L47 Q48N40-H44 PolarHBondContact ND2-NE2 3.3Å; N40-H44 PolarHBondContact O-CD2 2.81Å; N40-H44 VanDerWaalsContact O-CD2 3.28Å; N40-H44 PolarHBondContact O-N 2.95Å; N40-H44 PolarHBondContact OD1-CD2 3.01Å; Y41-H44 PolarHBondContact O-N 2.74Å; I42-H44 PolarHBondContact O-N 3.28Å; H44-L47 PolarHBondContact O-N 2.99Å; H44-Q48 WeakPolarHBondContact O-CB 3.45Å; H44-Q48 WeakPolarHBondContact O-CG 3.47Å; H44-Q48 PolarHBondContact O-N 3.18Å
45I83.8Confident77.7Confident23 Ų2374.1 Ų74.112%0.11838%0.379CS..Hα-helixtrans-66.1-44177.5-65-63.6000111.3P8 Y41 I42 L47 Q48 E49 M58P8-I45 HydrophobicContact CB-CG1 4.43Å; P8-I45 HydrophobicContact CB-CG2 3.74Å; P8-I45 HydrophobicContact CG-CG2 4.32Å; Y41-I45 HydrophobicContact CD1-CG1 4.4Å; Y41-I45 HydrophobicContact CD2-CG1 4.43Å; Y41-I45 HydrophobicContact CE1-CG1 3.97Å; Y41-I45 HydrophobicContact CE2-CD1 4.11Å; Y41-I45 HydrophobicContact CE2-CG1 3.98Å; Y41-I45 WeakPolarHBondContact O-CG1 3.49Å; Y41-I45 PolarHBondContact O-N 3.45Å; Y41-I45 VanDerWaalsContact O-N 3.07Å; I42-I45 PolarHBondContact O-N 3.23Å; I45-L47 PolarHBondContact O-N 3.02Å; I45-Q48 PolarHBondContact O-N 3.45Å; I45-E49 PolarHBondContact O-N 2.79Å; I45-M58 HydrophobicContact CB-CE 3.82Å; I45-M58 HydrophobicContact CG1-CE 4.46Å; I45-M58 HydrophobicContact CG2-CE 3.68Å; I45-M58 HydrophobicContact CG2-SD 4.3Å
46L80.5Confident77.1Confident46 Ų4680 Ų8024%0.24141%0.407CS..Hα-helixtrans-64.5-21.7178.8-67.9177.3000113.3I42 S43 V55 M58 L59I42-L46 HydrophobicContact CG2-CD1 3.73Å; I42-L46 HydrophobicContact CG2-CG 4.27Å; I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.31Å; I42-L46 PolarHBondContact O-N 3.31Å; S43-L46 PolarHBondContact O-N 2.93Å; L46-V55 HydrophobicContact CD2-CB 4.05Å; L46-V55 HydrophobicContact CD2-CG1 3.9Å; L46-V55 HydrophobicContact CD2-CG2 3.76Å; L46-M58 HydrophobicContact CD2-CB 4.41Å; L46-M58 HydrophobicContact CD2-SD 4.26Å; L46-M58 HydrophobicContact CG-CE 4.49Å; L46-L59 HydrophobicContact CD1-CD2 3.67Å; L46-L59 HydrophobicContact CD1-CG 4.1Å
47L78.4Confident76.4Confident144 Ų14484 Ų8475%0.75442%0.417SS*.Hα-helixtrans-88.3-12.9173.9-70.4168.9000113.7S43 H44 I45S43-L47 WeakPolarHBondContact O-CD1 3.25Å; S43-L47 VanDerWaalsContact O-CG 3.26Å; S43-L47 WeakPolarHBondContact O-CG 3.34Å; S43-L47 PolarHBondContact O-N 3.33Å; H44-L47 PolarHBondContact O-N 2.99Å; I45-L47 PolarHBondContact O-N 3.02Å
48Q69.2Low76Confident151 Ų15176.9 Ų76.971%0.70639%0.39SS*.Hα-helixtrans-112.1-24.7-173.8-74.2-177-9.500114.4H44 I45H44-Q48 WeakPolarHBondContact O-CB 3.45Å; H44-Q48 WeakPolarHBondContact O-CG 3.47Å; H44-Q48 PolarHBondContact O-N 3.18Å; I45-Q48 PolarHBondContact O-N 3.45Å
49E62.7Low75.8Confident95 Ų9581.3 Ų81.344%0.44441%0.413SS..  trans-126.3131.2-179.2-60-174.8150.600112I45 T51I45-E49 PolarHBondContact O-N 2.79Å; E49-T51 HydrophobicContact CB-CG2 3.71Å; E49-T51 PolarHBondContact O-N 2.87Å; E49-T51 PolarHBondContact O-OG1 3.46Å; E49-T51 VanDerWaalsContact OE2-CG2 3.32Å; E49-T51 WeakPolarHBondContact OE2-CG2 3.23Å
50E54.8Low75.3Confident174 Ų17486.4 Ų86.481%0.81343%0.43SS*.  trans-69.164.8165.9-68-168.6150.100111.2Q52E50-Q52 HydrophobicContact CB-CG 4.47Å; E50-Q52 PolarHBondContact O-N 3.29Å
51T56.4Low75Confident26 Ų2683 Ų8316%0.1641%0.412CS..  trans-7855-178.141.90000112.4E49 G53 E54 V55E49-T51 HydrophobicContact CB-CG2 3.71Å; E49-T51 PolarHBondContact O-N 2.87Å; E49-T51 PolarHBondContact O-OG1 3.46Å; E49-T51 VanDerWaalsContact OE2-CG2 3.32Å; E49-T51 WeakPolarHBondContact OE2-CG2 3.23Å; T51-G53 PolarHBondContact O-N 3.37Å; T51-E54 PolarHBondContact O-N 3.14Å; T51-V55 WeakPolarHBondContact O-CG2 3.43Å; T51-V55 PolarHBondContact O-N 3.01Å
52Q55.5Low74.9Confident172 Ų17280.6 Ų80.680%0.80441%0.406SS*.THydrogen-bonded Turntrans-52.2-6.6-170.2-64.3-178.12.200116.6E50E50-Q52 HydrophobicContact CB-CG 4.47Å; E50-Q52 PolarHBondContact O-N 3.29Å
53G60.2Low74.9Confident70 Ų7086.1 Ų86.172%0.72243%0.432SS*.THydrogen-bonded Turntrans-119.1-8.5174.500000117.4T51T51-G53 PolarHBondContact O-N 3.37Å
54E68.9Low74.6Confident34 Ų3489.8 Ų89.816%0.15944%0.443CS..THydrogen-bonded Turntrans-118.6-9.4-177.2-67.6-171.6-172.400114.2K7 L9 T51 E56 R57 M58K7-E54 IonicContact NZ-OE1 3.21Å; K7-E54 PolarHBondContact NZ-OE1 3Å; L9-E54 VanDerWaalsContact CB-OE2 3.25Å; L9-E54 WeakPolarHBondContact CB-OE2 3.43Å; L9-E54 HydrophobicContact CD2-CB 4.4Å; L9-E54 HydrophobicContact CD2-CG 4.32Å; T51-E54 PolarHBondContact O-N 3.14Å; E54-E56 PolarHBondContact O-N 2.87Å; E54-R57 PolarHBondContact O-N 3.09Å; E54-R57 VanDerWaalsContact O-N 3.14Å; E54-M58 PolarHBondContact O-N 3.01Å; E54-M58 VanDerWaalsContact O-N 3.1Å
55V77.4Confident74.8Confident54 Ų5485.4 Ų85.433%0.32742%0.423SS..Hα-helixtrans-48.4-53.3178.9176.20000113.4L46 T51 R57 M58 L59L46-V55 HydrophobicContact CD2-CB 4.05Å; L46-V55 HydrophobicContact CD2-CG1 3.9Å; L46-V55 HydrophobicContact CD2-CG2 3.76Å; T51-V55 WeakPolarHBondContact O-CG2 3.43Å; T51-V55 PolarHBondContact O-N 3.01Å; V55-R57 VanDerWaalsContact C-N 3.25Å; V55-R57 PolarHBondContact O-N 3.02Å; V55-M58 PolarHBondContact O-N 3.26Å; V55-M58 VanDerWaalsContact O-N 3.09Å; V55-L59 HydrophobicContact CG1-CD1 3.79Å; V55-L59 HydrophobicContact CG1-CG 4.2Å; V55-L59 WeakPolarHBondContact O-CG 3.35Å; V55-L59 PolarHBondContact O-N 3.17Å
56E76.7Confident75Confident125 Ų12588 Ų8858%0.58444%0.437SS*.Hα-helixtrans-60.7-36.2-175.1-161.7-158.6158.400112E54 R60E54-E56 PolarHBondContact O-N 2.87Å; E56-R60 WeakPolarHBondContact O-CG 3.28Å; E56-R60 PolarHBondContact O-N 3.22Å; E56-R60 IonicContact OE1-CZ 2.72Å; E56-R60 VanDerWaalsContact OE1-CZ 3.3Å; E56-R60 IonicContact OE1-NE 3.09Å; E56-R60 PolarHBondContact OE1-NE 2.97Å; E56-R60 IonicContact OE1-NH2 2.67Å; E56-R60 PolarHBondContact OE1-NH2 3.19Å
57R76.1Confident75.3Confident157 Ų15789.8 Ų89.859%0.59245%0.446SS*.Hα-helixtrans-72-38.2177.5-64.9-178.5-177.4164.52.4111.5L9 E54 V55 R60 V61L9-R57 HydrophobicContact CD1-CB 3.97Å; L9-R57 HydrophobicContact CD2-CB 3.91Å; E54-R57 PolarHBondContact O-N 3.09Å; E54-R57 VanDerWaalsContact O-N 3.14Å; V55-R57 VanDerWaalsContact C-N 3.25Å; V55-R57 PolarHBondContact O-N 3.02Å; R57-R60 PolarHBondContact O-N 3.48Å; R57-V61 WeakPolarHBondContact O-CG2 3.43Å; R57-V61 PolarHBondContact O-N 2.99Å; R57-V61 VanDerWaalsContact O-N 3.13Å
58M81.8Confident75.5Confident0 Ų088.7 Ų88.70%043%0.432CS..Hα-helixtrans-65.4-42.2174.9-70.3-176.36700111.4L9 I42 I45 L46 E54 V55 V61 A62L9-M58 HydrophobicContact CB-CG 4.19Å; L9-M58 HydrophobicContact CD1-CG 3.67Å; L9-M58 HydrophobicContact CG-CG 4.49Å; I42-M58 HydrophobicContact CB-CE 4.37Å; I42-M58 HydrophobicContact CG1-CE 4.21Å; I42-M58 HydrophobicContact CG2-CB 3.99Å; I42-M58 HydrophobicContact CG2-CE 4.18Å; I45-M58 HydrophobicContact CB-CE 3.82Å; I45-M58 HydrophobicContact CG1-CE 4.46Å; I45-M58 HydrophobicContact CG2-CE 3.68Å; I45-M58 HydrophobicContact CG2-SD 4.3Å; L46-M58 HydrophobicContact CD2-CB 4.41Å; L46-M58 HydrophobicContact CD2-SD 4.26Å; L46-M58 HydrophobicContact CG-CE 4.49Å; E54-M58 PolarHBondContact O-N 3.01Å; E54-M58 VanDerWaalsContact O-N 3.1Å; V55-M58 PolarHBondContact O-N 3.26Å; V55-M58 VanDerWaalsContact O-N 3.09Å; M58-V61 PolarHBondContact O-N 3.49Å; M58-A62 PolarHBondContact O-N 3.29Å
59L82.8Confident76.3Confident93 Ų9381.6 Ų81.649%0.48740%0.4SS..Hα-helixtrans-62.3-43.9175.1-69.6175.3000112.3L46 V55 V61 A62 E63L46-L59 HydrophobicContact CD1-CD2 3.67Å; L46-L59 HydrophobicContact CD1-CG 4.1Å; V55-L59 HydrophobicContact CG1-CD1 3.79Å; V55-L59 HydrophobicContact CG1-CG 4.2Å; V55-L59 WeakPolarHBondContact O-CG 3.35Å; V55-L59 PolarHBondContact O-N 3.17Å; L59-V61 VanDerWaalsContact C-N 3.27Å; L59-V61 PolarHBondContact O-N 2.85Å; L59-A62 WeakPolarHBondContact O-CB 3.37Å; L59-A62 PolarHBondContact O-N 2.9Å; L59-A62 VanDerWaalsContact O-N 3.11Å; L59-E63 WeakPolarHBondContact O-CB 3.41Å; L59-E63 PolarHBondContact O-N 3.49Å
60R81.6Confident77.2Confident140 Ų14082.3 Ų82.353%0.52840%0.401SS..Hα-helixtrans-60.2-33.6173.6-71.5176.4-172.2-150.95.8113E56 R57 Q64E56-R60 WeakPolarHBondContact O-CG 3.28Å; E56-R60 PolarHBondContact O-N 3.22Å; E56-R60 IonicContact OE1-CZ 2.72Å; E56-R60 VanDerWaalsContact OE1-CZ 3.3Å; E56-R60 IonicContact OE1-NE 3.09Å; E56-R60 PolarHBondContact OE1-NE 2.97Å; E56-R60 IonicContact OE1-NH2 2.67Å; E56-R60 PolarHBondContact OE1-NH2 3.19Å; R57-R60 PolarHBondContact O-N 3.48Å; R60-Q64 VanDerWaalsContact O-CG 3.32Å; R60-Q64 WeakPolarHBondContact O-CG 3.39Å; R60-Q64 PolarHBondContact O-N 3.22Å; R60-Q64 VanDerWaalsContact O-N 3.15Å
61V81.4Confident78.5Confident19 Ų1976.2 Ų76.212%0.11538%0.378CS..Hα-helixtrans-70.5-40.9173.7173.80000111M13 A16 I42 R57 M58 L59 Q64 C65M13-V61 HydrophobicContact CG-CG2 4.23Å; A16-V61 HydrophobicContact CB-CG1 3.99Å; I42-V61 HydrophobicContact CD1-CB 4.16Å; I42-V61 HydrophobicContact CD1-CG1 3.89Å; R57-V61 WeakPolarHBondContact O-CG2 3.43Å; R57-V61 PolarHBondContact O-N 2.99Å; R57-V61 VanDerWaalsContact O-N 3.13Å; M58-V61 PolarHBondContact O-N 3.49Å; L59-V61 VanDerWaalsContact C-N 3.27Å; L59-V61 PolarHBondContact O-N 2.85Å; V61-Q64 PolarHBondContact O-N 2.98Å; V61-C65 PolarHBondContact O-N 3.4Å; V61-C65 PolarHBondContact O-SG 2.75Å
62A86.7Confident79.5Confident15 Ų1575.7 Ų75.712%0.12437%0.373CS..Hα-helixtrans-63.3-42.2175.600000112.1I39 I42 M58 L59 C65 L66I39-A62 HydrophobicContact CG1-CB 4.42Å; I42-A62 HydrophobicContact CD1-CB 3.92Å; I42-A62 HydrophobicContact CG2-CB 4.16Å; M58-A62 PolarHBondContact O-N 3.29Å; L59-A62 WeakPolarHBondContact O-CB 3.37Å; L59-A62 PolarHBondContact O-N 2.9Å; L59-A62 VanDerWaalsContact O-N 3.11Å; A62-C65 PolarHBondContact O-N 3.38Å; A62-L66 WeakPolarHBondContact O-CB 3.28Å; A62-L66 PolarHBondContact O-N 3.46Å
63E85.6Confident80.1Confident118 Ų11872 Ų7255%0.55136%0.358SS*.Hα-helixtrans-58.7-49.3174.9-175.5177.9-149.800111.7L59 C65 L66 D67L59-E63 WeakPolarHBondContact O-CB 3.41Å; L59-E63 PolarHBondContact O-N 3.49Å; E63-C65 VanDerWaalsContact C-N 3.34Å; E63-C65 PolarHBondContact O-N 2.98Å; E63-L66 WeakPolarHBondContact O-CB 3.36Å; E63-L66 PolarHBondContact O-N 3.45Å; E63-L66 VanDerWaalsContact O-N 3.11Å; E63-D67 PolarHBondContact O-N 2.75Å
64Q83.4Confident80Confident134 Ų13471.4 Ų71.463%0.62635%0.352SS*.Hα-helixtrans-61.6-39.1175.8-72.1176.312.800112.8R60 V61 L66 R68R60-Q64 VanDerWaalsContact O-CG 3.32Å; R60-Q64 WeakPolarHBondContact O-CG 3.39Å; R60-Q64 PolarHBondContact O-N 3.22Å; R60-Q64 VanDerWaalsContact O-N 3.15Å; V61-Q64 PolarHBondContact O-N 2.98Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-R68 WeakPolarHBondContact O-CB 3.42Å; Q64-R68 VanDerWaalsContact O-CG 3.29Å; Q64-R68 WeakPolarHBondContact O-CG 3.18Å; Q64-R68 PolarHBondContact O-N 2.93Å; Q64-R68 VanDerWaalsContact O-N 3.14Å
65C87.3Confident79.3Confident3 Ų375.8 Ų75.82%0.0237%0.37CS..Hα-helixtrans-65.5-38.2174.4-67.20000111.7Y35 I39 V61 A62 E63 A69Y35-C65 HydrophobicContact CD1-CB 3.8Å; I39-C65 HydrophobicContact CD1-CB 4Å; I39-C65 HydrophobicContact CG1-CB 3.79Å; V61-C65 PolarHBondContact O-N 3.4Å; V61-C65 PolarHBondContact O-SG 2.75Å; A62-C65 PolarHBondContact O-N 3.38Å; E63-C65 VanDerWaalsContact C-N 3.34Å; E63-C65 PolarHBondContact O-N 2.98Å; C65-A69 WeakPolarHBondContact O-CB 3.37Å; C65-A69 PolarHBondContact O-N 2.98Å
66L88.2Confident77.8Confident79 Ų7982.2 Ų82.241%0.41439%0.389SS..Hα-helixtrans-69.2-43.2-179.6-178.264.5000111.6I39 A62 E63 Q64 A69 K70I39-L66 HydrophobicContact CD1-CB 3.98Å; I39-L66 HydrophobicContact CD1-CD1 4.31Å; A62-L66 WeakPolarHBondContact O-CB 3.28Å; A62-L66 PolarHBondContact O-N 3.46Å; E63-L66 WeakPolarHBondContact O-CB 3.36Å; E63-L66 PolarHBondContact O-N 3.45Å; E63-L66 VanDerWaalsContact O-N 3.11Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; L66-A69 WeakPolarHBondContact O-CB 2.91Å; L66-A69 PolarHBondContact O-N 3.32Å; L66-K70 WeakPolarHBondContact O-CG 3.38Å; L66-K70 PolarHBondContact O-N 3.32Å
67D85.6Confident76.1Confident83 Ų8385.9 Ų85.944%0.44440%0.399SS..Hα-helixtrans-68.1-36.1177.2-75.8-12.8000112.4E63 K70 S71E63-D67 PolarHBondContact O-N 2.75Å; D67-K70 PolarHBondContact O-N 2.71Å; D67-K70 IonicContact OD1-NZ 2.76Å; D67-K70 PolarHBondContact OD1-NZ 2.73Å; D67-S71 PolarHBondContact O-N 2.92Å; D67-S71 VanDerWaalsContact O-N 3.15Å
68R84.2Confident74Confident120 Ų12083.6 Ų83.645%0.45340%0.402SS..Hα-helixtrans-62.5-45.3168.6-71.6-72.4175.5146.70.3111.4E23 Y35 Q64 K70 S71 F72E23-R68 IonicContact OE1-CZ 3.11Å; E23-R68 IonicContact OE1-NH1 2.76Å; E23-R68 PolarHBondContact OE1-NH1 3.18Å; E23-R68 IonicContact OE2-NH1 3.47Å; Y35-R68 HydrophobicContact CD1-CB 4.3Å; Y35-R68 HydrophobicContact CD2-CB 4.18Å; Y35-R68 HydrophobicContact CE1-CB 3.88Å; Y35-R68 HydrophobicContact CE1-CG 4.25Å; Y35-R68 HydrophobicContact CE2-CB 3.75Å; Y35-R68 HydrophobicContact CG-CB 4.45Å; Q64-R68 WeakPolarHBondContact O-CB 3.42Å; Q64-R68 VanDerWaalsContact O-CG 3.29Å; Q64-R68 WeakPolarHBondContact O-CG 3.18Å; Q64-R68 PolarHBondContact O-N 2.93Å; Q64-R68 VanDerWaalsContact O-N 3.14Å; R68-K70 PolarHBondContact O-N 3.45Å; R68-S71 WeakPolarHBondContact O-CB 3.08Å; R68-S71 PolarHBondContact O-N 3.2Å; R68-S71 VanDerWaalsContact O-N 3.12Å; R68-S71 PolarHBondContact O-OG 3.19Å; R68-F72 WeakPolarHBondContact O-CD2 3.48Å; R68-F72 WeakPolarHBondContact O-CE2 3.34Å
69A85.2Confident71.5Confident3 Ų392.2 Ų92.23%0.02544%0.442CS..Hα-helixtrans-59.7-43176.100000112.7Y32 C65 L66 S71 F72Y32-A69 HydrophobicContact CD2-CB 4.14Å; Y32-A69 HydrophobicContact CE2-CB 4.12Å; C65-A69 WeakPolarHBondContact O-CB 3.37Å; C65-A69 PolarHBondContact O-N 2.98Å; L66-A69 WeakPolarHBondContact O-CB 2.91Å; L66-A69 PolarHBondContact O-N 3.32Å; A69-S71 VanDerWaalsContact C-N 3.27Å; A69-S71 PolarHBondContact O-N 2.98Å; A69-F72 PolarHBondContact O-N 3.14Å
70K82.3Confident69Low109 Ų10993.1 Ų93.147%0.47445%0.453SS..Hα-helixtrans-57.9-37.1173.8-70.9170.2-168.5154.80112.2L66 D67 R68 F72 I73L66-K70 WeakPolarHBondContact O-CG 3.38Å; L66-K70 PolarHBondContact O-N 3.32Å; D67-K70 PolarHBondContact O-N 2.71Å; D67-K70 IonicContact OD1-NZ 2.76Å; D67-K70 PolarHBondContact OD1-NZ 2.73Å; R68-K70 PolarHBondContact O-N 3.45Å; K70-F72 PolarHBondContact O-N 2.92Å; K70-F72 VanDerWaalsContact O-N 3.17Å; K70-I73 WeakPolarHBondContact O-CB 3.45Å; K70-I73 PolarHBondContact O-N 3.39Å
71S81.6Confident66.5Low46 Ų4693 Ų9332%0.32247%0.468SS..Hα-helixtrans-62.6-22.4-179.383.80000114.3D67 R68 A69 K75D67-S71 PolarHBondContact O-N 2.92Å; D67-S71 VanDerWaalsContact O-N 3.15Å; R68-S71 WeakPolarHBondContact O-CB 3.08Å; R68-S71 PolarHBondContact O-N 3.2Å; R68-S71 VanDerWaalsContact O-N 3.12Å; R68-S71 PolarHBondContact O-OG 3.19Å; A69-S71 VanDerWaalsContact C-N 3.27Å; A69-S71 PolarHBondContact O-N 2.98Å; S71-K75 WeakPolarHBondContact O-CG 3.28Å
72F76.9Confident63.9Low16 Ų1698.6 Ų98.67%0.0750%0.497CS..Hα-helixtrans-79.4-25.7173.3-63.9-82.8000112.9E23 Q28 A31 Y32 Y35 R68 A69 K70 K75 R76E23-F72 HydrophobicContact CB-CZ 4.39Å; E23-F72 HydrophobicContact CG-CZ 3.94Å; Q28-F72 HydrophobicContact CB-CD1 4.03Å; Q28-F72 HydrophobicContact CB-CE1 3.77Å; Q28-F72 HydrophobicContact CG-CE1 4.12Å; A31-F72 HydrophobicContact CB-CZ 4.15Å; Y32-F72 HydrophobicContact CD2-CB 4.26Å; Y32-F72 HydrophobicContact CD2-CD2 4.35Å; Y35-F72 HydrophobicContact CD2-CE2 4.07Å; Y35-F72 AromaticContact CE2-CE2 3.86Å; Y35-F72 HydrophobicContact CE2-CE2 3.86Å; Y35-F72 HydrophobicContact CE2-CZ 4.37Å; R68-F72 WeakPolarHBondContact O-CD2 3.48Å; R68-F72 WeakPolarHBondContact O-CE2 3.34Å; A69-F72 PolarHBondContact O-N 3.14Å; K70-F72 PolarHBondContact O-N 2.92Å; K70-F72 VanDerWaalsContact O-N 3.17Å; F72-K75 PolarHBondContact O-N 3.38Å; F72-R76 PolarHBondContact O-N 3.46Å
73I68.9Low61.2Low95 Ų95103.7 Ų103.749%0.48753%0.529SS..Hα-helixtrans-67.2-43.1178.2-55.9177.6000109.8K70 K75 R76K70-I73 WeakPolarHBondContact O-CB 3.45Å; K70-I73 PolarHBondContact O-N 3.39Å; I73-K75 VanDerWaalsContact C-N 3.27Å; I73-K75 PolarHBondContact O-N 2.93Å; I73-R76 PolarHBondContact O-N 2.94Å
74G56.4Low58.4Low57 Ų57104 Ų10459%0.58854%0.539SS*.Hα-helixtrans-65.4-24.8175.800000114.6
75K56.2Low55.6Low125 Ų125105.2 Ų105.254%0.54355%0.548SS..Hα-helixtrans-83.8-19.1-178.9-71.2174-178.1173.50114.1S71 F72 I73 Y77S71-K75 WeakPolarHBondContact O-CG 3.28Å; F72-K75 PolarHBondContact O-N 3.38Å; I73-K75 VanDerWaalsContact C-N 3.27Å; I73-K75 PolarHBondContact O-N 2.93Å; K75-Y77 VanDerWaalsContact C-N 3.25Å; K75-Y77 PolarHBondContact O-N 3.23Å
76R44.6Very low52.7Low189 Ų189113.4 Ų113.471%0.71359%0.586SS**THydrogen-bonded Turntrans-73.2-10.4179.5-85.4-175.7169.3174.6-3.3114.9F72 I73F72-R76 PolarHBondContact O-N 3.46Å; I73-R76 PolarHBondContact O-N 2.94Å
77Y40.3Very low49.8Very low202 Ų202116.6 Ų116.679%0.79260%0.604SS**THydrogen-bonded Turntrans-96.110.2-176.2-81.2-79.9000115.2K75K75-Y77 VanDerWaalsContact C-N 3.25Å; K75-Y77 PolarHBondContact O-N 3.23Å
78V34Very low46.9Very low110 Ų110117.3 Ų117.367%0.66762%0.621SS**  trans-124.674.8-180-167.30000111.8
79H27.6Very low44Very low180 Ų180117.2 Ų117.283%0.83364%0.639SS**  trans-131.2110.7153.2-90.6-62.7000109.4V81H79-V81 PolarHBondContact O-N 3.4Å
80P31.4Very low41Very low112 Ų112123.2 Ų123.273%0.72768%0.679SS**PPolyproline II helixtrans-73.9122.3174.729.6-32.1000109.9
81V28.5Very low38.2Very low137 Ų137124 Ų12483%0.8370%0.698SS**PPolyproline II helixtrans-81.2116.9170178.10000108.3H79H79-V81 PolarHBondContact O-N 3.4Å
82N27.5Very low35.5Very low137 Ų137127.2 Ų127.273%0.73372%0.721SS**PPolyproline II helixtrans-66.6134.3172-78.9-28.5000110.1V84N82-V84 PolarHBondContact O-N 3Å
83P29.8Very low33Very low122 Ų122130.7 Ų130.779%0.79275%0.753SS**PPolyproline II helixtrans-69.9120.817228.4-32.5000110.2L85P83-L85 PolarHBondContact O-N 3.24Å
84V26Very low30.8Very low126 Ų126132.7 Ų132.776%0.76476%0.764SS**PPolyproline II helixtrans-74.1117.7172.7174.70000108.8N82 H86N82-V84 PolarHBondContact O-N 3Å; V84-H86 PolarHBondContact O-N 3.12Å
85L25.6Very low29.3Very low158 Ų158138 Ų13883%0.82777%0.774SS**  trans-64.5109.7167.7-86.2152.7000109.6P83 N87P83-L85 PolarHBondContact O-N 3.24Å; L85-N87 PolarHBondContact O-N 3.1Å
86H26.9Very low27.8Very low176 Ų176138 Ų13882%0.81579%0.79SS**  trans-78.3104.3165.4-108.9-78.2000109.7V84 A88V84-H86 PolarHBondContact O-N 3.12Å; H86-A88 PolarHBondContact O-N 3.44Å
87N25.5Very low26.8Very low146 Ų146138.4 Ų138.478%0.78180%0.799SS**  trans-63.8121.9164.8-78.5-14.1000109.6L85L85-N87 PolarHBondContact O-N 3.1Å
88A25.6Very low26Very low97 Ų97133.6 Ų133.680%0.80280%0.802SS**  trans-122.7106.3158.500000107.7H86H86-A88 PolarHBondContact O-N 3.44Å
89S22.9Very low25.4Very low118 Ų118137 Ų13783%0.82581%0.81SS**  trans-77.7126.4178.4-590000110.6
90C22Very low25.8Very low129 Ų129134 Ų13487%0.87281%0.807SS**  trans-124.1143157.9-75.90000109.2
91S24.4Very low25.3Very low126 Ų126132.1 Ų132.188%0.88181%0.808SS**  trans-78.7166.6-159.3-42.70000115.3
92S23.8Very low25.8Very low114 Ų114131.3 Ų131.380%0.79781%0.805SS**  trans-79.6168-173.452.20000117
93A25Very low25.7Very low89 Ų89134.4 Ų134.474%0.73681%0.812SS**  trans84.3140.7163.100000116.2
94D23.1Very low25.4Very low136 Ų136133.4 Ų133.473%0.72781%0.814SS**  cis-150.1179.55-138.8-25.1000114.3
95Q25.6Very low25.2Very low170 Ų170131 Ų13179%0.79482%0.815SS**  trans-59.1149.1-171.5-58.8143.265.300117.4
96S24.6Very low25.1Very low125 Ų125130.7 Ų130.787%0.87481%0.814SS**  -174157.3121.757.70000113.4
97E23.3Very low24.9Very low196 Ų196126.3 Ų126.392%0.91680%0.803SS**  trans-86.7172.3-169.4-56.4171115.400115.8
98A23.3Very low24.7Very low102 Ų102125.4 Ų125.484%0.84380%0.803SS**  trans113.7118.9146.700000119.6
99E21.8Very low24.6Very low182 Ų182126.2 Ų126.285%0.8580%0.803SS**  trans-83178150.1-89.3-149.4-168.200110.5
100P34.9Very low24.6Very low117 Ų117124.6 Ų124.676%0.7681%0.805SS**  cis-134175.2-331.9-11.7000115.4
101G21Very low24.7Very low72 Ų72123.3 Ų123.374%0.74280%0.804SS**  trans110.1171.4137.900000119.9
102P39Very low24.8Very low119 Ų119127.1 Ų127.177%0.77381%0.808SS**  trans-130.5165.3-133.241.6-28.5000117.1
103K25.1Very low24.7Very low202 Ų202124.7 Ų124.788%0.87880%0.801SS**  trans158.5135.1150.2-89157.5-174.6-177.90108.4
104A23.4Very low24.9Very low101 Ų101129.7 Ų129.784%0.83581%0.809SS**  cis96.6127.344.400000113.1
105G23.3Very low25Very low77 Ų77129.2 Ų129.279%0.79481%0.81SS**  trans92.1148.6-179.300000114.2
106D22Very low24.9Very low151 Ų151127.1 Ų127.181%0.80781%0.805SS**  cis-164.1159.1-11.8-156.8-16.8000109.9
107S22.9Very low24.9Very low83 Ų83126.5 Ų126.558%0.5881%0.807SS**  trans59.7119.2145.1-73.80000123.7
108T22Very low25.1Very low127 Ų127121.8 Ų121.878%0.77980%0.796SS**  91.2140.2124.955.10000124.3
109S22.9Very low25.4Very low114 Ų114120.7 Ų120.780%0.79778%0.782SS**  trans65.399.8151.259.90000120.4
110G22.9Very low25.8Very low84 Ų84117.2 Ų117.287%0.86678%0.775SS**  73104.796.100000118.1
111A23.9Very low26Very low103 Ų103115.2 Ų115.285%0.85176%0.755SS**  trans-147.6132.5151.900000109.2
112E26.1Very low26.3Very low205 Ų205114.6 Ų114.696%0.95875%0.748SS**  trans-67.7146.2166.1-63.2168.5132.500109.2
113G23.2Very low26Very low63 Ų63114.2 Ų114.265%0.64974%0.739SS**  trans-16965.8-168.800000113.3V115G113-V115 VanDerWaalsContact O-CG2 3.3Å; G113-V115 WeakPolarHBondContact O-CG2 3.42Å; G113-V115 PolarHBondContact O-N 3.31Å
114Q28.8Very low26.1Very low195 Ų195110.3 Ų110.391%0.91174%0.737SS**  trans-11.8117.8151.9179.9179.55.600115.5
115V24.2Very low27Very low125 Ų125113.5 Ų113.576%0.75874%0.741SS**  trans-141.3106.2165.5-146.30000112G113G113-V115 VanDerWaalsContact O-CG2 3.3Å; G113-V115 WeakPolarHBondContact O-CG2 3.42Å; G113-V115 PolarHBondContact O-N 3.31Å
116D24Very low27.5Very low127 Ų127117.3 Ų117.368%0.67974%0.743SS**  trans4694.3143.3-54.6-23.4000121.3S118D116-S118 VanDerWaalsContact C-N 3.27Å; D116-S118 PolarHBondContact O-N 3.41Å
117A25.1Very low28.2Very low112 Ų112113.9 Ų113.993%0.92674%0.743SS**  trans-72.579149.300000110.6S119A117-S119 PolarHBondContact O-N 3.29Å
118S26.9Very low28.9Very low96 Ų96113.2 Ų113.267%0.67175%0.749SS**  trans-84.797.9172.6-61.70000111.7D116 P120D116-S118 VanDerWaalsContact C-N 3.27Å; D116-S118 PolarHBondContact O-N 3.41Å; S118-P120 WeakPolarHBondContact O-CD 3.32Å
119S29.4Very low29.3Very low80 Ų80116.2 Ų116.256%0.55975%0.754SS**  trans-61.5128.6168.91740000111.1A117 F121A117-S119 PolarHBondContact O-N 3.29Å; S119-F121 VanDerWaalsContact C-N 3.29Å; S119-F121 PolarHBondContact O-N 3.42Å; S119-F121 PolarHBondContact OG-N 2.89Å; S119-F121 PolarHBondContact OG-O 3.46Å
120P30.4Very low30.1Very low109 Ų109115.8 Ų115.871%0.70875%0.749SS**SBendtrans-77.7-9.3176.2-15.230.4000114.6S118S118-P120 WeakPolarHBondContact O-CD 3.32Å
121F39.4Very low31.1Very low75 Ų75114.9 Ų114.933%0.32973%0.729SS.*  trans-143.189-176-60.7-80.4000110.4S119S119-F121 VanDerWaalsContact C-N 3.29Å; S119-F121 PolarHBondContact O-N 3.42Å; S119-F121 PolarHBondContact OG-N 2.89Å; S119-F121 PolarHBondContact OG-O 3.46Å
122G27Very low33.3Very low59 Ų59113.7 Ų113.761%0.60871%0.714SS**  trans-99128.7161.500000109.5S124G122-S124 PolarHBondContact O-N 3.28Å
123L33.6Very low35.9Very low111 Ų111105.3 Ų105.358%0.58168%0.675SS**  trans-83.7103.8167.9-66.2173.7000107.9
124S27.5Very low38.9Very low120 Ų120103.2 Ų103.284%0.83965%0.65SS**  trans-87.4134.3165.4-76.50000110.2G122 D126G122-S124 PolarHBondContact O-N 3.28Å; S124-D126 PolarHBondContact O-N 3.44Å
125D42.1Very low41.6Very low168 Ų16896.8 Ų96.890%0.89863%0.625SS**  trans-8496.4173.4-174.735.8000109.5
126D34.1Very low44.6Very low157 Ų15791.6 Ų91.684%0.8459%0.594SS**  trans-153.4153157-16518.2000110.8S124 G128S124-D126 PolarHBondContact O-N 3.44Å; D126-G128 PolarHBondContact O-N 2.97Å
127G36.4Very low47.5Very low79 Ų7990.7 Ų90.781%0.81459%0.589SS**  trans-80.9103.3-167.300000115.5
128G36.7Very low50.3Low69 Ų6987.6 Ų87.671%0.71156%0.559SS**  trans118.8156.514900000117.7D126D126-G128 PolarHBondContact O-N 2.97Å
129Q31.1Very low53.1Low190 Ų19083.6 Ų83.689%0.88853%0.529SS*.  trans81.5157.3-177.7-61.5-65-3800115.3
130P39.9Very low55.8Low104 Ų10484.1 Ų84.168%0.67552%0.523SS*.SBendtrans-93.9148.5-131.234.6-38.5000116.5
131S44.4Very low58.2Low66 Ų6685.6 Ų85.646%0.46251%0.514SS..  trans31.892.5162.963.30000117.1F133S131-F133 PolarHBondContact O-N 3.33Å; S131-F133 VanDerWaalsContact O-N 3.12Å
132S68.1Low60.1Low77 Ų7786.9 Ų86.954%0.53852%0.521SS..SBendtrans-61-12165.5-171.50000113.8
133F81.8Confident62.5Low29 Ų2985.4 Ų85.413%0.12750%0.499CS..SBendtrans-93.5129.1-176.3-63-67.6000112.5S131 I310 P464 A467S131-F133 PolarHBondContact O-N 3.33Å; S131-F133 VanDerWaalsContact O-N 3.12Å; F133-I310 HydrophobicContact CB-CD1 4.15Å; F133-I310 HydrophobicContact CD1-CD1 4.21Å; F133-I310 HydrophobicContact CD2-CB 4.32Å; F133-I310 HydrophobicContact CD2-CD1 3.68Å; F133-I310 HydrophobicContact CD2-CG1 4.04Å; F133-I310 HydrophobicContact CE2-CB 4.32Å; F133-I310 HydrophobicContact CE2-CD1 4.09Å; F133-I310 HydrophobicContact CE2-CG1 4.48Å; F133-I310 HydrophobicContact CG-CD1 3.74Å; F133-I310 HydrophobicContact CG-CG1 4.5Å; F133-P464 HydrophobicContact CD1-CG 3.98Å; F133-P464 HydrophobicContact CE1-CB 4.44Å; F133-P464 HydrophobicContact CE1-CG 3.81Å; F133-A467 HydrophobicContact CE2-CB 4.15Å; F133-A467 HydrophobicContact CZ-CB 4.03Å
134P85.2Confident64.1Low20 Ų2082.8 Ų82.813%0.1349%0.487CS..PPolyproline II helixtrans-68.9148.9179.327.6-34.7000112.4V138 Y303 Y307P134-V138 HydrophobicContact CB-CB 4.09Å; P134-V138 HydrophobicContact CB-CG1 3.96Å; P134-Y303 WeakPolarHBondContact CD-OH 3.35Å; P134-Y303 WeakPolarHBondContact O-CE1 3.35Å; P134-Y303 PolarHBondContact O-OH 3.45Å; P134-Y307 WeakPolarHBondContact O-CE2 3.21Å
135P85.8Confident65.4Low60 Ų6083.2 Ų83.239%0.3948%0.476SS..PPolyproline II helixtrans-56.4151171.6-25.834.7000112.5D137 V138 F139P135-D137 PolarHBondContact O-N 3.05Å; P135-D137 VanDerWaalsContact O-N 3.13Å; P135-V138 HydrophobicContact CB-CG2 4.42Å; P135-V138 HydrophobicContact CG-CG2 4.45Å; P135-V138 WeakPolarHBondContact O-CA 3.26Å; P135-V138 WeakPolarHBondContact O-CB 3.41Å; P135-V138 PolarHBondContact O-N 3.36Å; P135-F139 PolarHBondContact O-N 3.46Å
136P87.2Confident65.7Low16 Ų1679.4 Ų79.410%0.10447%0.468CS..Hα-helixtrans-52.3-38.9-178.3-29.336.1000114.1V138 F139 Q140 F300 Y303 Y307P136-V138 PolarHBondContact O-N 3.44Å; P136-F139 PolarHBondContact O-N 3.09Å; P136-Q140 WeakPolarHBondContact O-CB 3.38Å; P136-Q140 PolarHBondContact O-N 3.39Å; P136-F300 HydrophobicContact CB-CE2 3.83Å; P136-F300 HydrophobicContact CB-CZ 4.28Å; P136-Y303 HydrophobicContact CB-CD1 4.47Å; P136-Y303 HydrophobicContact CG-CD1 4.39Å; P136-Y303 HydrophobicContact CG-CE1 4.37Å; P136-Y307 HydrophobicContact CG-CD1 4.04Å; P136-Y307 HydrophobicContact CG-CD2 4.37Å; P136-Y307 HydrophobicContact CG-CG 3.91Å
137D85.6Confident66.4Low108 Ų10873.1 Ų73.158%0.57844%0.436SS*.Hα-helixtrans-64.5-23.6176.9-58.3-32.5000113.9P135 R141P135-D137 PolarHBondContact O-N 3.05Å; P135-D137 VanDerWaalsContact O-N 3.13Å; D137-R141 WeakPolarHBondContact O-CG 3.35Å; D137-R141 PolarHBondContact O-NE 3.48Å; D137-R141 PolarHBondContact O-NH2 2.82Å
138V83.7Confident66.9Low47 Ų4775.1 Ų75.129%0.28542%0.424SS..Hα-helixtrans-87-44.5176.6178.20000109.6P134 P135 P136 Q140 R141 Q142P134-V138 HydrophobicContact CB-CB 4.09Å; P134-V138 HydrophobicContact CB-CG1 3.96Å; P135-V138 HydrophobicContact CB-CG2 4.42Å; P135-V138 HydrophobicContact CG-CG2 4.45Å; P135-V138 WeakPolarHBondContact O-CA 3.26Å; P135-V138 WeakPolarHBondContact O-CB 3.41Å; P135-V138 PolarHBondContact O-N 3.36Å; P136-V138 PolarHBondContact O-N 3.44Å; V138-Q140 VanDerWaalsContact C-N 3.31Å; V138-Q140 PolarHBondContact O-N 3.26Å; V138-R141 PolarHBondContact O-N 3.19Å; V138-R141 VanDerWaalsContact O-N 3.13Å; V138-Q142 WeakPolarHBondContact O-CG 3.36Å; V138-Q142 PolarHBondContact O-N 2.92Å
139F85.9Confident67.2Low11 Ų1179.6 Ų79.65%0.04843%0.432CS..Hα-helixtrans-54.1-46.9172.5-178.6-93.9000111.5P135 P136 R141 Q142 Q143 Q299 F300 Y303 P460 L461P135-F139 PolarHBondContact O-N 3.46Å; P136-F139 PolarHBondContact O-N 3.09Å; F139-R141 PolarHBondContact O-N 3.02Å; F139-Q142 PolarHBondContact O-N 3.45Å; F139-Q143 WeakPolarHBondContact O-CG 3.43Å; F139-Q143 PolarHBondContact O-N 3.11Å; F139-Q299 HydrophobicContact CE1-CB 4.45Å; F139-F300 HydrophobicContact CD1-CD2 4.48Å; F139-Y303 HydrophobicContact CB-CD1 4.05Å; F139-Y303 HydrophobicContact CB-CE1 3.84Å; F139-Y303 AromaticContact CD1-CD1 3.96Å; F139-Y303 HydrophobicContact CD1-CD1 3.96Å; F139-Y303 HydrophobicContact CD1-CD2 4.5Å; F139-Y303 AromaticContact CD1-CG 3.93Å; F139-Y303 HydrophobicContact CD1-CG 3.93Å; F139-Y303 HydrophobicContact CD2-CD1 4.26Å; F139-Y303 AromaticContact CD2-CD2 3.92Å; F139-Y303 HydrophobicContact CD2-CD2 3.92Å; F139-Y303 HydrophobicContact CD2-CE1 4.21Å; F139-Y303 AromaticContact CD2-CE2 3.86Å; F139-Y303 HydrophobicContact CD2-CE2 3.86Å; F139-Y303 HydrophobicContact CD2-CG 4.11Å; F139-Y303 HydrophobicContact CE1-CD1 4.46Å; F139-Y303 HydrophobicContact CE1-CD2 4.37Å; F139-Y303 AromaticContact CE1-CG 3.98Å; F139-Y303 HydrophobicContact CE1-CG 3.98Å; F139-Y303 AromaticContact CE2-CD2 3.76Å; F139-Y303 HydrophobicContact CE2-CD2 3.76Å; F139-Y303 HydrophobicContact CE2-CE2 4.02Å; F139-Y303 HydrophobicContact CE2-CG 4.15Å; F139-Y303 AromaticContact CG-CD1 3.84Å; F139-Y303 HydrophobicContact CG-CD1 3.84Å; F139-Y303 HydrophobicContact CG-CD2 4.28Å; F139-Y303 AromaticContact CG-CE1 3.97Å; F139-Y303 HydrophobicContact CG-CE1 3.97Å; F139-Y303 HydrophobicContact CG-CE2 4.4Å; F139-Y303 HydrophobicContact CG-CG 4Å; F139-Y303 HydrophobicContact CZ-CD2 4Å; F139-Y303 HydrophobicContact CZ-CG 4.08Å; F139-P460 HydrophobicContact CE2-CB 4.1Å; F139-P460 HydrophobicContact CZ-CB 4.17Å; F139-L461 HydrophobicContact CZ-CD2 4.13Å
140Q86.7Confident67.6Low91 Ų9175.4 Ų75.443%0.42542%0.422SS..Hα-helixtrans-64.1-37.9177.4-167178.516.700113P136 V138 Q143 T144 F300P136-Q140 WeakPolarHBondContact O-CB 3.38Å; P136-Q140 PolarHBondContact O-N 3.39Å; V138-Q140 VanDerWaalsContact C-N 3.31Å; V138-Q140 PolarHBondContact O-N 3.26Å; Q140-Q143 PolarHBondContact O-N 3.26Å; Q140-T144 PolarHBondContact O-N 3Å; Q140-T144 PolarHBondContact O-OG1 3.19Å; Q140-F300 HydrophobicContact CB-CD2 3.82Å; Q140-F300 HydrophobicContact CB-CE2 3.87Å; Q140-F300 HydrophobicContact CG-CD2 4.16Å; Q140-F300 HydrophobicContact CG-CE2 4.36Å
141R80.5Confident68Low140 Ų14080.2 Ų80.253%0.52843%0.427SS..Hα-helixtrans-67.5-44.6177.6-87.2-180-77.2165.1-6.3112.1D137 V138 F139 Q143 T144 E145D137-R141 WeakPolarHBondContact O-CG 3.35Å; D137-R141 PolarHBondContact O-NE 3.48Å; D137-R141 PolarHBondContact O-NH2 2.82Å; V138-R141 PolarHBondContact O-N 3.19Å; V138-R141 VanDerWaalsContact O-N 3.13Å; F139-R141 PolarHBondContact O-N 3.02Å; R141-Q143 PolarHBondContact O-N 3.34Å; R141-T144 PolarHBondContact O-N 3.12Å; R141-E145 WeakPolarHBondContact O-CG 3.43Å; R141-E145 PolarHBondContact O-N 3.43Å
142Q79.8Confident68.1Low102 Ų10288.2 Ų88.248%0.47745%0.447SS..Hα-helixtrans-55.9-38.1174.7-71.2171.3-14.800111.9V138 F139 T144V138-Q142 WeakPolarHBondContact O-CG 3.36Å; V138-Q142 PolarHBondContact O-N 2.92Å; F139-Q142 PolarHBondContact O-N 3.45Å; Q142-T144 VanDerWaalsContact C-N 3.33Å; Q142-T144 PolarHBondContact O-N 3.2Å
143Q76.6Confident67.2Low29 Ų2993.8 Ų93.814%0.13646%0.462CS..Hα-helixtrans-73.8-17174.3-67-166.4-14.500114.9F139 Q140 R141 R296F139-Q143 WeakPolarHBondContact O-CG 3.43Å; F139-Q143 PolarHBondContact O-N 3.11Å; Q140-Q143 PolarHBondContact O-N 3.26Å; R141-Q143 PolarHBondContact O-N 3.34Å; Q143-R296 PolarHBondContact O-NH1 3.48Å
144T66.9Low66.2Low56 Ų5698.6 Ų98.634%0.34449%0.494SS..Hα-helixtrans-101.9-35-174.6-52.10000112.2Q140 R141 Q142 A146 S147 H148Q140-T144 PolarHBondContact O-N 3Å; Q140-T144 PolarHBondContact O-OG1 3.19Å; R141-T144 PolarHBondContact O-N 3.12Å; Q142-T144 VanDerWaalsContact C-N 3.33Å; Q142-T144 PolarHBondContact O-N 3.2Å; T144-A146 PolarHBondContact O-N 2.95Å; T144-S147 PolarHBondContact O-N 3Å; T144-S147 PolarHBondContact O-OG 3.17Å; T144-H148 PolarHBondContact O-CD2 3.42Å
145E56.1Low65.6Low129 Ų129100.7 Ų100.760%0.60350%0.503SS*.Hα-helixtrans-58.5-34.1178.7-75.8169.8-173.300112.1R141 S147R141-E145 WeakPolarHBondContact O-CG 3.43Å; R141-E145 PolarHBondContact O-N 3.43Å; E145-S147 PolarHBondContact O-N 3.43Å
146A48.3Very low65.4Low87 Ų87100.5 Ų100.572%0.71950%0.501SS*.THydrogen-bonded Turntrans-66.7-9.8174.900000115.8T144T144-A146 PolarHBondContact O-N 2.95Å
147S48.1Very low65.3Low25 Ų25101.5 Ų101.518%0.17551%0.507CS..THydrogen-bonded Turntrans-112.45.5-176.1320000114.7T144 E145 D288 R296T144-S147 PolarHBondContact O-N 3Å; T144-S147 PolarHBondContact O-OG 3.17Å; E145-S147 PolarHBondContact O-N 3.43Å; S147-D288 WeakPolarHBondContact CB-OD1 3.17Å; S147-R296 PolarHBondContact OG-NH1 3.35Å
148H46.5Very low65.3Low121 Ų12198.1 Ų98.156%0.5649%0.491SS*.  trans-80.8-17-172.3-90.3-66.7000115.8T144 C150T144-H148 PolarHBondContact O-CD2 3.42Å; H148-C150 PolarHBondContact O-N 2.7Å
149D42.8Very low65.5Low164 Ų164100.6 Ų100.688%0.87750%0.499SS*.THydrogen-bonded Turntrans-73.6-23.2-171.6-75.6-31.9000115.2
150C40.7Very low65.5Low102 Ų102104.5 Ų104.569%0.68952%0.517SS*.THydrogen-bonded Turntrans-81.5-17.6-178.9-77.10000114.2H148 R152 D288H148-C150 PolarHBondContact O-N 2.7Å; C150-R152 PolarHBondContact O-N 3.47Å; C150-D288 WeakPolarHBondContact CB-OD2 3.33Å
151R48Very low65.6Low205 Ų205100.4 Ų100.477%0.77450%0.5SS*.  trans-8370.4-172.1-115.9-174.6-172.4-167.26.1113.4K153R151-K153 PolarHBondContact O-N 3.35Å
152R45.3Very low65.9Low233 Ų23396.3 Ų96.388%0.87949%0.492SS*.  trans-56.1110.3159.7-95.4-175.5-174155.66.8109C150 T154C150-R152 PolarHBondContact O-N 3.47Å; R152-T154 VanDerWaalsContact C-N 3.34Å; R152-T154 PolarHBondContact O-N 2.89Å
153K49.8Very low66.4Low195 Ų19598.9 Ų98.985%0.84850%0.497SS*.  trans-70.487178-69.5177.8-179.5172.90110.6R151 L155R151-K153 PolarHBondContact O-N 3.35Å; K153-L155 PolarHBondContact O-N 3.37Å
154T60.6Low66.9Low130 Ų130102.4 Ų102.480%0.79851%0.514SS*.PPolyproline II helixtrans-63.6122.6164.7-45.70000108.3R152R152-T154 VanDerWaalsContact C-N 3.34Å; R152-T154 PolarHBondContact O-N 2.89Å
155L72.3Confident68.1Low64 Ų64100.4 Ų100.434%0.33550%0.501SS..PPolyproline II helixtrans-71.1144.8-177.9-65.1173.7000110.7K153 E159 E160K153-L155 PolarHBondContact O-N 3.37Å; L155-E159 HydrophobicContact CB-CB 4.34Å; L155-E159 HydrophobicContact CD2-CB 4.36Å; L155-E160 HydrophobicContact CB-CG 3.71Å; L155-E160 HydrophobicContact CD1-CG 4.37Å
156T82.9Confident69.8Low56 Ų5699.9 Ų99.934%0.34450%0.499SS..PPolyproline II helixtrans-71.4154.3171.261.80000110.9V158 E159 E160T156-V158 PolarHBondContact O-N 3.04Å; T156-V158 VanDerWaalsContact O-N 3.1Å; T156-E159 WeakPolarHBondContact CB-OE2 3.49Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.5Å; T156-E159 PolarHBondContact N-OE2 3.28Å; T156-E159 PolarHBondContact O-N 3.27Å; T156-E159 WeakPolarHBondContact OG1-CB 3.47Å; T156-E159 WeakPolarHBondContact OG1-CG 3.34Å; T156-E159 PolarHBondContact OG1-N 3.14Å; T156-E159 PolarHBondContact OG1-OE2 3.06Å; T156-E160 PolarHBondContact O-N 3.01Å
157P84.9Confident71.9Confident36 Ų36103.2 Ų103.223%0.23450%0.497CS..Hα-helixtrans-55.4-31.4179.1-27.434.8000114.3A161 A205 R208 L212P157-A161 WeakPolarHBondContact O-CB 3.3Å; P157-A161 PolarHBondContact O-N 2.84Å; P157-A205 WeakPolarHBondContact O-CB 3.48Å; P157-R208 HydrophobicContact CB-CB 4.45Å; P157-L212 HydrophobicContact CG-CD1 3.81Å
158V85.8Confident73.9Confident38 Ų38103.7 Ų103.723%0.2350%0.497CS..Hα-helixtrans-76.5-35.5176.2169.10000112.2T156 A161 S162 L202 A205 R206 Q209T156-V158 PolarHBondContact O-N 3.04Å; T156-V158 VanDerWaalsContact O-N 3.1Å; V158-A161 PolarHBondContact O-N 2.95Å; V158-S162 VanDerWaalsContact O-CB 3.27Å; V158-S162 WeakPolarHBondContact O-CB 3.4Å; V158-S162 PolarHBondContact O-N 3.48Å; V158-L202 HydrophobicContact CG1-CD1 4.07Å; V158-A205 HydrophobicContact CG2-CB 4.05Å; V158-R206 HydrophobicContact CG2-CB 4.47Å; V158-Q209 HydrophobicContact CG2-CB 4.21Å
159E86.4Confident76Confident98 Ų98101.9 Ų101.946%0.45849%0.489SS..Hα-helixtrans-67.1-40.3172-72.1164.4140.900111.8L155 T156 S162 R163L155-E159 HydrophobicContact CB-CB 4.34Å; L155-E159 HydrophobicContact CD2-CB 4.36Å; T156-E159 WeakPolarHBondContact CB-OE2 3.49Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.5Å; T156-E159 PolarHBondContact N-OE2 3.28Å; T156-E159 PolarHBondContact O-N 3.27Å; T156-E159 WeakPolarHBondContact OG1-CB 3.47Å; T156-E159 WeakPolarHBondContact OG1-CG 3.34Å; T156-E159 PolarHBondContact OG1-N 3.14Å; T156-E159 PolarHBondContact OG1-OE2 3.06Å; E159-S162 WeakPolarHBondContact O-CB 3.26Å; E159-S162 PolarHBondContact O-N 3.33Å; E159-R163 PolarHBondContact O-N 2.99Å
160E87.6Confident78.3Confident93 Ų9396.7 Ų96.744%0.43547%0.469SS..Hα-helixtrans-60.4-47.9173-67.9-169.8152.900111.5L155 T156 S162 R163 Q164L155-E160 HydrophobicContact CB-CG 3.71Å; L155-E160 HydrophobicContact CD1-CG 4.37Å; T156-E160 PolarHBondContact O-N 3.01Å; E160-S162 VanDerWaalsContact C-N 3.33Å; E160-S162 PolarHBondContact O-N 3.08Å; E160-R163 PolarHBondContact O-N 2.71Å; E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 3.01Å
161A87.1Confident80.6Confident6 Ų694.6 Ų94.65%0.0546%0.455CS..Hα-helixtrans-65.8-34.1176.900000112.7P157 V158 Q164 N165 A205P157-A161 WeakPolarHBondContact O-CB 3.3Å; P157-A161 PolarHBondContact O-N 2.84Å; V158-A161 PolarHBondContact O-N 2.95Å; A161-Q164 PolarHBondContact O-N 2.75Å; A161-N165 VanDerWaalsContact O-CB 3.29Å; A161-N165 WeakPolarHBondContact O-CB 3.5Å; A161-N165 VanDerWaalsContact O-CG 3.25Å; A161-N165 PolarHBondContact O-N 3.3Å; A161-A205 HydrophobicContact CB-CB 3.33Å
162S87.7Confident82.7Confident53 Ų5386.6 Ų86.637%0.37143%0.425SS..Hα-helixtrans-61.8-46.8171.7-174.90000111.1V158 E159 E160 Q164 N165 Q166V158-S162 VanDerWaalsContact O-CB 3.27Å; V158-S162 WeakPolarHBondContact O-CB 3.4Å; V158-S162 PolarHBondContact O-N 3.48Å; E159-S162 WeakPolarHBondContact O-CB 3.26Å; E159-S162 PolarHBondContact O-N 3.33Å; E160-S162 VanDerWaalsContact C-N 3.33Å; E160-S162 PolarHBondContact O-N 3.08Å; S162-Q164 VanDerWaalsContact C-N 3.34Å; S162-Q164 PolarHBondContact O-N 3.35Å; S162-N165 PolarHBondContact O-N 2.69Å; S162-Q166 WeakPolarHBondContact O-CG 3.36Å; S162-Q166 PolarHBondContact O-N 3.37Å
163R90Very high84.8Confident156 Ų15680.3 Ų80.359%0.58941%0.406SS*.Hα-helixtrans-61.9-37.9173.6-110-178.3170.4179.2-1113E159 E160 K167E159-R163 PolarHBondContact O-N 2.99Å; E160-R163 PolarHBondContact O-N 2.71Å; R163-K167 WeakPolarHBondContact O-CG 3.48Å; R163-K167 PolarHBondContact O-N 2.85Å
164Q87.7Confident86.6Confident104 Ų10473.3 Ų73.349%0.48638%0.384SS..Hα-helixtrans-67.6-41174.5-70.1173.520.700111.4E160 A161 S162 K167 L168E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 3.01Å; A161-Q164 PolarHBondContact O-N 2.75Å; S162-Q164 VanDerWaalsContact C-N 3.34Å; S162-Q164 PolarHBondContact O-N 3.35Å; Q164-K167 WeakPolarHBondContact O-CB 3.29Å; Q164-K167 PolarHBondContact O-N 3.46Å; Q164-L168 WeakPolarHBondContact O-CG 3.41Å; Q164-L168 PolarHBondContact O-N 3.31Å
165N91.4Very high87.8Confident13 Ų1372 Ų727%0.0737%0.365CS..Hα-helixtrans-65.2-38176.1-78-7.9000112.6A161 S162 K167 L168 Q169 M198 N201A161-N165 VanDerWaalsContact O-CB 3.29Å; A161-N165 WeakPolarHBondContact O-CB 3.5Å; A161-N165 VanDerWaalsContact O-CG 3.25Å; A161-N165 PolarHBondContact O-N 3.3Å; S162-N165 PolarHBondContact O-N 2.69Å; N165-K167 PolarHBondContact O-N 2.78Å; N165-L168 PolarHBondContact O-N 3.04Å; N165-Q169 WeakPolarHBondContact O-CB 3.48Å; N165-Q169 PolarHBondContact O-N 3.33Å; N165-M198 HydrophobicContact CB-CE 4.18Å; N165-M198 HydrophobicContact CB-CG 4.24Å; N165-M198 PolarHBondContact ND2-O 3.12Å; N165-N201 WeakPolarHBondContact OD1-CB 3.44Å; N165-N201 PolarHBondContact OD1-ND2 3.28Å
166Q92.3Very high88.4Confident118 Ų11870.6 Ų70.655%0.55136%0.359SS*.Hα-helixtrans-59.7-43.9170.8-71.8169.82.900111.7S162 Q169 A170S162-Q166 WeakPolarHBondContact O-CG 3.36Å; S162-Q166 PolarHBondContact O-N 3.37Å; Q166-Q169 PolarHBondContact O-N 2.91Å; Q166-A170 PolarHBondContact O-N 3.43Å
167K92.4Very high88.5Confident157 Ų15772.2 Ų72.268%0.68338%0.378SS*.Hα-helixtrans-64.5-38.3174.7-69.6177.5179.8-175.40112.4R163 Q164 N165 S171R163-K167 WeakPolarHBondContact O-CG 3.48Å; R163-K167 PolarHBondContact O-N 2.85Å; Q164-K167 WeakPolarHBondContact O-CB 3.29Å; Q164-K167 PolarHBondContact O-N 3.46Å; N165-K167 PolarHBondContact O-N 2.78Å; K167-S171 WeakPolarHBondContact O-CB 3.45Å; K167-S171 PolarHBondContact O-N 2.63Å
168L90.4Very high88.4Confident36 Ų3679.6 Ų79.619%0.18840%0.401CS..Hα-helixtrans-65.3-41.5175.2-73.4171.2000111.9Q164 N165 S171 Y172 L194 Q197 N201Q164-L168 WeakPolarHBondContact O-CG 3.41Å; Q164-L168 PolarHBondContact O-N 3.31Å; N165-L168 PolarHBondContact O-N 3.04Å; L168-S171 PolarHBondContact O-N 2.88Å; L168-Y172 WeakPolarHBondContact O-CB 3.29Å; L168-Y172 PolarHBondContact O-N 3.15Å; L168-L194 HydrophobicContact CB-CD1 4.17Å; L168-Q197 HydrophobicContact CD1-CG 4.11Å; L168-N201 WeakPolarHBondContact CD1-ND2 3.19Å
169Q90.8Very high88.3Confident83 Ų8380 Ų8039%0.38840%0.401SS..Hα-helixtrans-61.8-49.6175.4-178.7179.9-2100111.3N165 Q166 S171 Y172 E173N165-Q169 WeakPolarHBondContact O-CB 3.48Å; N165-Q169 PolarHBondContact O-N 3.33Å; Q166-Q169 PolarHBondContact O-N 2.91Å; Q169-S171 VanDerWaalsContact C-N 3.31Å; Q169-S171 PolarHBondContact O-N 2.76Å; Q169-Y172 CarbonylContact O-C 3.6Å; Q169-Y172 WeakPolarHBondContact O-CA 3.29Å; Q169-Y172 WeakPolarHBondContact O-CB 3.28Å; Q169-Y172 PolarHBondContact O-N 3.32Å; Q169-E173 VanDerWaalsContact CG-OE1 3.3Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.47Å; Q169-E173 PolarHBondContact NE2-OE1 2.88Å; Q169-E173 WeakPolarHBondContact O-CG 3.22Å; Q169-E173 PolarHBondContact O-N 2.71Å
170A90.9Very high87.8Confident54 Ų5477.7 Ų77.745%0.44640%0.4SS..Hα-helixtrans-59.7-40176.500000112.5Q166 Y172 E173 A174Q166-A170 PolarHBondContact O-N 3.43Å; A170-Y172 VanDerWaalsContact C-N 3.32Å; A170-Y172 PolarHBondContact O-N 3.03Å; A170-E173 PolarHBondContact O-N 2.69Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.13Å
171S89.1Confident87Confident58 Ų5879.3 Ų79.341%0.40642%0.418SS..Hα-helixtrans-66.5-30.6174.11750000113.3K167 L168 Q169 R175K167-S171 WeakPolarHBondContact O-CB 3.45Å; K167-S171 PolarHBondContact O-N 2.63Å; L168-S171 PolarHBondContact O-N 2.88Å; Q169-S171 VanDerWaalsContact C-N 3.31Å; Q169-S171 PolarHBondContact O-N 2.76Å; S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 2.68Å; S171-R175 PolarHBondContact O-NE 3.42Å
172Y90.9Very high86.4Confident37 Ų3782.7 Ų82.715%0.14545%0.453CS..Hα-helixtrans-72.6-47.6172.1160.6-90000111.6L168 Q169 A170 A174 R175 V176 L190 T191 L194L168-Y172 WeakPolarHBondContact O-CB 3.29Å; L168-Y172 PolarHBondContact O-N 3.15Å; Q169-Y172 CarbonylContact O-C 3.6Å; Q169-Y172 WeakPolarHBondContact O-CA 3.29Å; Q169-Y172 WeakPolarHBondContact O-CB 3.28Å; Q169-Y172 PolarHBondContact O-N 3.32Å; A170-Y172 VanDerWaalsContact C-N 3.32Å; A170-Y172 PolarHBondContact O-N 3.03Å; Y172-A174 VanDerWaalsContact C-N 3.31Å; Y172-A174 PolarHBondContact O-N 3.19Å; Y172-R175 CarbonylContact O-C 3.59Å; Y172-R175 WeakPolarHBondContact O-CA 3.33Å; Y172-R175 WeakPolarHBondContact O-CB 3.4Å; Y172-R175 PolarHBondContact O-N 2.91Å; Y172-V176 HydrophobicContact CD1-CG2 4.26Å; Y172-V176 HydrophobicContact CD2-CG2 4.03Å; Y172-V176 HydrophobicContact CE1-CG2 3.82Å; Y172-V176 HydrophobicContact CE2-CG2 3.55Å; Y172-V176 HydrophobicContact CG-CG2 4.35Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.43Å; Y172-V176 PolarHBondContact O-N 2.95Å; Y172-L190 HydrophobicContact CD2-CD2 3.61Å; Y172-L190 HydrophobicContact CD2-CG 3.74Å; Y172-L190 HydrophobicContact CE2-CB 4.09Å; Y172-L190 HydrophobicContact CE2-CD2 3.72Å; Y172-L190 HydrophobicContact CE2-CG 3.8Å; Y172-T191 PolarHBondContact OH-OG1 2.75Å; Y172-L194 HydrophobicContact CD1-CD2 3.62Å; Y172-L194 HydrophobicContact CD2-CB 3.96Å; Y172-L194 HydrophobicContact CD2-CD2 4Å; Y172-L194 HydrophobicContact CD2-CG 4.44Å; Y172-L194 HydrophobicContact CE1-CD2 4.08Å; Y172-L194 HydrophobicContact CE2-CB 4.37Å; Y172-L194 HydrophobicContact CE2-CD2 4.42Å; Y172-L194 HydrophobicContact CG-CB 4.33Å; Y172-L194 HydrophobicContact CG-CD1 4.44Å; Y172-L194 HydrophobicContact CG-CD2 3.59Å; Y172-L194 HydrophobicContact CG-CG 4.31Å
173E89.5Confident86Confident102 Ų10283.3 Ų83.348%0.47745%0.451SS..Hα-helixtrans-57.3-46.4178.5-72.4167-173.100110.6Q169 A170 R175 V176 A177Q169-E173 VanDerWaalsContact CG-OE1 3.3Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.47Å; Q169-E173 PolarHBondContact NE2-OE1 2.88Å; Q169-E173 WeakPolarHBondContact O-CG 3.22Å; Q169-E173 PolarHBondContact O-N 2.71Å; A170-E173 PolarHBondContact O-N 2.69Å; E173-R175 PolarHBondContact O-N 3.48Å; E173-V176 PolarHBondContact O-N 3.45Å; E173-A177 WeakPolarHBondContact O-CB 3.26Å; E173-A177 PolarHBondContact O-N 2.95Å
174A88.5Confident85.2Confident47 Ų4779 Ų7939%0.38845%0.449SS..Hα-helixtrans-63.1-22.6173.500000114A170 Y172 R178A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.13Å; Y172-A174 VanDerWaalsContact C-N 3.31Å; Y172-A174 PolarHBondContact O-N 3.19Å; A174-R178 VanDerWaalsContact O-CZ 3.29Å; A174-R178 PolarHBondContact O-NE 2.9Å; A174-R178 PolarHBondContact O-NH2 3.13Å
175R85.4Confident84.7Confident102 Ų10278.4 Ų78.439%0.38546%0.455SS..Hα-helixtrans-84.4-41.9173.1-80.8179.4-74166.7-0.7111.7S171 Y172 E173 A177 R178 L190S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 2.68Å; S171-R175 PolarHBondContact O-NE 3.42Å; Y172-R175 CarbonylContact O-C 3.59Å; Y172-R175 WeakPolarHBondContact O-CA 3.33Å; Y172-R175 WeakPolarHBondContact O-CB 3.4Å; Y172-R175 PolarHBondContact O-N 2.91Å; E173-R175 PolarHBondContact O-N 3.48Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-R178 PolarHBondContact O-N 3.3Å; R175-R178 VanDerWaalsContact O-N 3.15Å; R175-L190 HydrophobicContact CB-CD2 4.13Å
176V84.6Confident84.2Confident36 Ų3682.6 Ų82.622%0.21848%0.475CS..Hα-helixtrans-63.6-39176.8176.20000111.8Y172 E173 R178 L179 L190Y172-V176 HydrophobicContact CD1-CG2 4.26Å; Y172-V176 HydrophobicContact CD2-CG2 4.03Å; Y172-V176 HydrophobicContact CE1-CG2 3.82Å; Y172-V176 HydrophobicContact CE2-CG2 3.55Å; Y172-V176 HydrophobicContact CG-CG2 4.35Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.43Å; Y172-V176 PolarHBondContact O-N 2.95Å; E173-V176 PolarHBondContact O-N 3.45Å; V176-R178 PolarHBondContact O-N 3.1Å; V176-R178 VanDerWaalsContact O-N 3.14Å; V176-L179 PolarHBondContact O-N 3.25Å; V176-L190 HydrophobicContact CG2-CD2 3.76Å
177A84.9Confident83.7Confident89 Ų8979.7 Ų79.774%0.73646%0.46SS*.THydrogen-bonded Turntrans-59.9-21.2175.900000113.8E173 R175E173-A177 WeakPolarHBondContact O-CB 3.26Å; E173-A177 PolarHBondContact O-N 2.95Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.86Å
178R83.8Confident83.3Confident192 Ų19276.3 Ų76.373%0.72545%0.453SS*.THydrogen-bonded Turntrans-93.9-2.8177.2-73.8178.2-78.4-168.5-5.2114.1A174 R175 V176A174-R178 VanDerWaalsContact O-CZ 3.29Å; A174-R178 PolarHBondContact O-NE 2.9Å; A174-R178 PolarHBondContact O-NH2 3.13Å; R175-R178 PolarHBondContact O-N 3.3Å; R175-R178 VanDerWaalsContact O-N 3.15Å; V176-R178 PolarHBondContact O-N 3.1Å; V176-R178 VanDerWaalsContact O-N 3.14Å
179L82.4Confident83.2Confident45 Ų4578.4 Ų78.424%0.23647%0.471CS..SBendtrans-94.2129.8-178.3-70.2173.8000112.4V176 K187V176-L179 PolarHBondContact O-N 3.25Å; L179-K187 VanDerWaalsContact CB-CE 3.41Å; L179-K187 HydrophobicContact CB-CG 4.38Å; L179-K187 HydrophobicContact CD1-CG 3.85Å; L179-K187 WeakPolarHBondContact O-CE 3.14Å; L179-K187 PolarHBondContact O-NZ 3.48Å
180A77Confident82.9Confident51 Ų5176.5 Ų76.542%0.42146%0.463SS..  trans-63.3156.2-177.600000112.7G182 Q183 K187A180-G182 VanDerWaalsContact C-N 3.27Å; A180-G182 PolarHBondContact O-N 2.88Å; A180-Q183 PolarHBondContact O-N 2.91Å; A180-K187 PolarHBondContact O-NZ 3.42Å
181P70.9Confident82.8Confident126 Ų12676 Ų7682%0.81845%0.454SS*.THydrogen-bonded Turntrans-57.9-33.6-176.8-27.436000114.7Q183P181-Q183 VanDerWaalsContact C-N 3.28Å; P181-Q183 PolarHBondContact O-N 3.45Å
182G73.9Confident82.8Confident77 Ų7778.6 Ų78.679%0.79446%0.463SS*.THydrogen-bonded Turntrans-73.6-8.2-179.600000115.8A180 A184A180-G182 VanDerWaalsContact C-N 3.27Å; A180-G182 PolarHBondContact O-N 2.88Å; G182-A184 VanDerWaalsContact C-N 3.28Å; G182-A184 PolarHBondContact O-N 3.49Å
183Q78.5Confident82.7Confident67 Ų6780.2 Ų80.231%0.31348%0.479SS..  trans-90.643.3-174.3-68.7172.9-39.900113A180 P181 S185 Q186 K187A180-Q183 PolarHBondContact O-N 2.91Å; P181-Q183 VanDerWaalsContact C-N 3.28Å; P181-Q183 PolarHBondContact O-N 3.45Å; Q183-S185 VanDerWaalsContact C-N 3.35Å; Q183-S185 PolarHBondContact O-N 2.77Å; Q183-Q186 HydrophobicContact CB-CB 4.34Å; Q183-Q186 VanDerWaalsContact CD-OE1 3.3Å; Q183-Q186 PolarHBondContact O-N 2.8Å; Q183-K187 PolarHBondContact O-N 2.77Å; Q183-K187 VanDerWaalsContact O-N 3.1Å
184A73.3Confident82.7Confident66 Ų6676.2 Ų76.255%0.54546%0.461SS..Hα-helixtrans-58-41-173.400000113.7G182 K187 T188G182-A184 VanDerWaalsContact C-N 3.28Å; G182-A184 PolarHBondContact O-N 3.49Å; A184-K187 PolarHBondContact O-N 2.93Å; A184-T188 PolarHBondContact O-N 3.43Å; A184-T188 VanDerWaalsContact O-N 3.1Å; A184-T188 PolarHBondContact O-OG1 2.88Å
185S78.6Confident82.9Confident90 Ų9079.2 Ų79.263%0.62947%0.467SS*.Hα-helixtrans-67.3-33.5178.4530000113.7Q183 T188 S189Q183-S185 VanDerWaalsContact C-N 3.35Å; Q183-S185 PolarHBondContact O-N 2.77Å; S185-T188 PolarHBondContact O-OG1 3.39Å; S185-S189 WeakPolarHBondContact O-CB 3.14Å; S185-S189 PolarHBondContact O-N 3.32Å; S185-S189 VanDerWaalsContact O-N 3.09Å
186Q80.1Confident83.2Confident101 Ų10182.5 Ų82.547%0.47248%0.48SS..Hα-helixtrans-72.3-36.7174.9-67.1179.4-16.400110.9Q183 S189 L190Q183-Q186 HydrophobicContact CB-CB 4.34Å; Q183-Q186 VanDerWaalsContact CD-OE1 3.3Å; Q183-Q186 PolarHBondContact O-N 2.8Å; Q186-S189 PolarHBondContact O-N 2.94Å; Q186-L190 WeakPolarHBondContact O-CB 3.23Å; Q186-L190 PolarHBondContact O-N 3.13Å
187K82.4Confident83.5Confident58 Ų5884.7 Ų84.725%0.25249%0.488SS..Hα-helixtrans-61.6-51.5174.4-70.4178.6179.41790111L179 A180 Q183 A184 S189 L190 T191L179-K187 VanDerWaalsContact CB-CE 3.41Å; L179-K187 HydrophobicContact CB-CG 4.38Å; L179-K187 HydrophobicContact CD1-CG 3.85Å; L179-K187 WeakPolarHBondContact O-CE 3.14Å; L179-K187 PolarHBondContact O-NZ 3.48Å; A180-K187 PolarHBondContact O-NZ 3.42Å; Q183-K187 PolarHBondContact O-N 2.77Å; Q183-K187 VanDerWaalsContact O-N 3.1Å; A184-K187 PolarHBondContact O-N 2.93Å; K187-S189 PolarHBondContact O-N 2.94Å; K187-L190 PolarHBondContact O-N 3.28Å; K187-T191 PolarHBondContact O-N 3.02Å; K187-T191 PolarHBondContact O-OG1 3.28Å
188T84.4Confident83.8Confident85 Ų8582.9 Ų82.952%0.52147%0.465SS..Hα-helixtrans-62.2-3917739.80000113.4A184 S185 T191 L192A184-T188 PolarHBondContact O-N 3.43Å; A184-T188 VanDerWaalsContact O-N 3.1Å; A184-T188 PolarHBondContact O-OG1 2.88Å; S185-T188 PolarHBondContact O-OG1 3.39Å; T188-T191 PolarHBondContact O-N 3.16Å; T188-L192 WeakPolarHBondContact O-CG 3.04Å; T188-L192 PolarHBondContact O-N 3.36Å
189S86.7Confident84.1Confident81 Ų8179.4 Ų79.457%0.56646%0.458SS*.Hα-helixtrans-60.6-44.3173.8-178.20000112.1S185 Q186 K187 L192 S193S185-S189 WeakPolarHBondContact O-CB 3.14Å; S185-S189 PolarHBondContact O-N 3.32Å; S185-S189 VanDerWaalsContact O-N 3.09Å; Q186-S189 PolarHBondContact O-N 2.94Å; K187-S189 PolarHBondContact O-N 2.94Å; S189-L192 PolarHBondContact O-N 2.82Å; S189-S193 WeakPolarHBondContact O-CB 3.5Å; S189-S193 PolarHBondContact O-N 3.3Å
190L85.6Confident84.6Confident42 Ų4281.6 Ų81.622%0.2247%0.467CS..Hα-helixtrans-65.9-38.9177.5-160.478.8000111.8Y172 R175 V176 Q186 K187 S193 L194Y172-L190 HydrophobicContact CD2-CD2 3.61Å; Y172-L190 HydrophobicContact CD2-CG 3.74Å; Y172-L190 HydrophobicContact CE2-CB 4.09Å; Y172-L190 HydrophobicContact CE2-CD2 3.72Å; Y172-L190 HydrophobicContact CE2-CG 3.8Å; R175-L190 HydrophobicContact CB-CD2 4.13Å; V176-L190 HydrophobicContact CG2-CD2 3.76Å; Q186-L190 WeakPolarHBondContact O-CB 3.23Å; Q186-L190 PolarHBondContact O-N 3.13Å; K187-L190 PolarHBondContact O-N 3.28Å; L190-S193 PolarHBondContact O-N 2.79Å; L190-L194 PolarHBondContact O-N 2.88Å
191T87.7Confident85.3Confident44 Ų4481 Ų8127%0.2746%0.457SS..Hα-helixtrans-60.7-49.7176.1-48.60000111.6Y172 K187 T188 S193 L194 Q195Y172-T191 PolarHBondContact OH-OG1 2.75Å; K187-T191 PolarHBondContact O-N 3.02Å; K187-T191 PolarHBondContact O-OG1 3.28Å; T188-T191 PolarHBondContact O-N 3.16Å; T191-S193 VanDerWaalsContact C-N 3.3Å; T191-S193 PolarHBondContact O-N 3.25Å; T191-L194 PolarHBondContact O-N 2.73Å; T191-Q195 WeakPolarHBondContact O-CG 3.41Å; T191-Q195 PolarHBondContact O-N 3.14Å
192L90.2Very high86.2Confident113 Ų11379 Ų7959%0.59244%0.438SS*.Hα-helixtrans-64.8-36.5179.7-68.7170.1000111.4T188 S189 R196T188-L192 WeakPolarHBondContact O-CG 3.04Å; T188-L192 PolarHBondContact O-N 3.36Å; S189-L192 PolarHBondContact O-N 2.82Å; L192-R196 WeakPolarHBondContact O-CB 3.38Å; L192-R196 PolarHBondContact O-N 3.33Å
193S88.5Confident87.1Confident70 Ų7080.3 Ų80.349%0.4943%0.427SS..Hα-helixtrans-65.1-42.5174.4-175.40000112.4S189 L190 T191 Q197S189-S193 WeakPolarHBondContact O-CB 3.5Å; S189-S193 PolarHBondContact O-N 3.3Å; L190-S193 PolarHBondContact O-N 2.79Å; T191-S193 VanDerWaalsContact C-N 3.3Å; T191-S193 PolarHBondContact O-N 3.25Å; S193-Q197 WeakPolarHBondContact O-CB 3.42Å; S193-Q197 PolarHBondContact O-N 3.28Å
194L90.4Very high87.8Confident18 Ų1880.5 Ų80.59%0.09443%0.429CS..Hα-helixtrans-62.3-50.2173.8177.373.6000111L168 Y172 L190 T191 R196 Q197 M198L168-L194 HydrophobicContact CB-CD1 4.17Å; Y172-L194 HydrophobicContact CD1-CD2 3.62Å; Y172-L194 HydrophobicContact CD2-CB 3.96Å; Y172-L194 HydrophobicContact CD2-CD2 4Å; Y172-L194 HydrophobicContact CD2-CG 4.44Å; Y172-L194 HydrophobicContact CE1-CD2 4.08Å; Y172-L194 HydrophobicContact CE2-CB 4.37Å; Y172-L194 HydrophobicContact CE2-CD2 4.42Å; Y172-L194 HydrophobicContact CG-CB 4.33Å; Y172-L194 HydrophobicContact CG-CD1 4.44Å; Y172-L194 HydrophobicContact CG-CD2 3.59Å; Y172-L194 HydrophobicContact CG-CG 4.31Å; L190-L194 PolarHBondContact O-N 2.88Å; T191-L194 PolarHBondContact O-N 2.73Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 2.59Å; L194-Q197 PolarHBondContact O-N 3.28Å; L194-Q197 VanDerWaalsContact O-N 3.12Å; L194-M198 HydrophobicContact CD1-CG 3.98Å; L194-M198 HydrophobicContact CD1-SD 3.83Å; L194-M198 HydrophobicContact CD2-SD 3.89Å; L194-M198 HydrophobicContact CG-CG 4.15Å; L194-M198 HydrophobicContact CG-SD 3.63Å; L194-M198 WeakPolarHBondContact O-CG 3.45Å; L194-M198 PolarHBondContact O-N 3.01Å
195Q91Very high88.5Confident111 Ų11177.6 Ų77.652%0.51941%0.405SS..Hα-helixtrans-57.6-44.6-179.1-75.7177.2-22.600111.5T191 M199T191-Q195 WeakPolarHBondContact O-CG 3.41Å; T191-Q195 PolarHBondContact O-N 3.14Å; Q195-M199 VanDerWaalsContact O-CB 3.26Å; Q195-M199 WeakPolarHBondContact O-CB 3.49Å; Q195-M199 PolarHBondContact O-N 3.27Å
196R93.3Very high89.1Confident171 Ų17181.1 Ų81.165%0.64540%0.404SS*.Hα-helixtrans-59-50.7173.4179.3-179.7165.8178.6-0.9111.4L192 L194 M198 M199 E200L192-R196 WeakPolarHBondContact O-CB 3.38Å; L192-R196 PolarHBondContact O-N 3.33Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 2.59Å; R196-M198 PolarHBondContact O-N 2.8Å; R196-M199 PolarHBondContact O-N 3.2Å; R196-E200 IonicContact NE-OE2 2.64Å; R196-E200 PolarHBondContact NE-OE2 2.99Å; R196-E200 IonicContact NH2-OE2 3.3Å; R196-E200 VanDerWaalsContact O-CB 3.24Å; R196-E200 WeakPolarHBondContact O-CB 3.33Å; R196-E200 PolarHBondContact O-N 3.08Å
197Q89.5Confident89.7Confident82 Ų8279 Ų7938%0.38340%0.404SS..Hα-helixtrans-65.5-40.3-176.1-169.1176.86.600112.6L168 S193 L194 E200 N201L168-Q197 HydrophobicContact CD1-CG 4.11Å; S193-Q197 WeakPolarHBondContact O-CB 3.42Å; S193-Q197 PolarHBondContact O-N 3.28Å; L194-Q197 PolarHBondContact O-N 3.28Å; L194-Q197 VanDerWaalsContact O-N 3.12Å; Q197-E200 PolarHBondContact O-N 3.19Å; Q197-N201 WeakPolarHBondContact O-CB 3.38Å; Q197-N201 VanDerWaalsContact O-CG 3.24Å; Q197-N201 PolarHBondContact O-N 3.07Å
198M90.7Very high90.1Very high51 Ų5183.9 Ų83.925%0.25142%0.421SS..Hα-helixtrans-64-42.5175.2-71.817672.200111.8N165 L194 R196 L202N165-M198 HydrophobicContact CB-CE 4.18Å; N165-M198 HydrophobicContact CB-CG 4.24Å; N165-M198 PolarHBondContact ND2-O 3.12Å; L194-M198 HydrophobicContact CD1-CG 3.98Å; L194-M198 HydrophobicContact CD1-SD 3.83Å; L194-M198 HydrophobicContact CD2-SD 3.89Å; L194-M198 HydrophobicContact CG-CG 4.15Å; L194-M198 HydrophobicContact CG-SD 3.63Å; L194-M198 WeakPolarHBondContact O-CG 3.45Å; L194-M198 PolarHBondContact O-N 3.01Å; R196-M198 PolarHBondContact O-N 2.8Å; M198-L202 WeakPolarHBondContact O-CB 3.47Å; M198-L202 PolarHBondContact O-N 3.28Å
199M91.3Very high90.3Very high118 Ų11882.1 Ų82.158%0.58141%0.407SS*.Hα-helixtrans-67.6-42.4177.1-177.8163.463.700111.8Q195 R196 L202 I203Q195-M199 VanDerWaalsContact O-CB 3.26Å; Q195-M199 WeakPolarHBondContact O-CB 3.49Å; Q195-M199 PolarHBondContact O-N 3.27Å; R196-M199 PolarHBondContact O-N 3.2Å; M199-L202 PolarHBondContact O-N 3.24Å; M199-I203 HydrophobicContact CG-CD1 3.69Å; M199-I203 HydrophobicContact CG-CG1 4.34Å; M199-I203 WeakPolarHBondContact O-CB 3.15Å; M199-I203 VanDerWaalsContact O-CG1 3.25Å; M199-I203 WeakPolarHBondContact O-CG1 3.14Å; M199-I203 PolarHBondContact O-N 3.06Å
200E92.5Very high90.6Very high91 Ų9180.5 Ų80.543%0.42539%0.392SS..Hα-helixtrans-61.6-46.9176.8-171.2166.3166.600111.1R196 Q197 L202 I203 I204R196-E200 IonicContact NE-OE2 2.64Å; R196-E200 PolarHBondContact NE-OE2 2.99Å; R196-E200 IonicContact NH2-OE2 3.3Å; R196-E200 VanDerWaalsContact O-CB 3.24Å; R196-E200 WeakPolarHBondContact O-CB 3.33Å; R196-E200 PolarHBondContact O-N 3.08Å; Q197-E200 PolarHBondContact O-N 3.19Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 3.49Å; E200-I203 PolarHBondContact O-N 3.23Å; E200-I204 HydrophobicContact CG-CD1 4Å; E200-I204 WeakPolarHBondContact O-CB 3.41Å; E200-I204 VanDerWaalsContact O-CG1 3.25Å; E200-I204 WeakPolarHBondContact O-CG1 3.47Å; E200-I204 PolarHBondContact O-N 3.41Å
201N91Very high90.8Very high39 Ų3980.6 Ų80.621%0.20940%0.398CS..Hα-helixtrans-57.1-44.6172.6-75.4-11.4000112.4N165 L168 Q197 A205N165-N201 WeakPolarHBondContact OD1-CB 3.44Å; N165-N201 PolarHBondContact OD1-ND2 3.28Å; L168-N201 WeakPolarHBondContact CD1-ND2 3.19Å; Q197-N201 WeakPolarHBondContact O-CB 3.38Å; Q197-N201 VanDerWaalsContact O-CG 3.24Å; Q197-N201 PolarHBondContact O-N 3.07Å; N201-A205 WeakPolarHBondContact O-CB 3.49Å; N201-A205 PolarHBondContact O-N 3.44Å
202L90.6Very high90.8Very high83 Ų8382.9 Ų82.944%0.43541%0.408SS..Hα-helixtrans-69.4-39-179.1-174.163.7000112.1V158 M198 M199 E200 A205 R206V158-L202 HydrophobicContact CG1-CD1 4.07Å; M198-L202 WeakPolarHBondContact O-CB 3.47Å; M198-L202 PolarHBondContact O-N 3.28Å; M199-L202 PolarHBondContact O-N 3.24Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 3.49Å; L202-A205 PolarHBondContact O-N 3.14Å; L202-R206 VanDerWaalsContact O-CB 3.22Å; L202-R206 WeakPolarHBondContact O-CB 3.35Å; L202-R206 PolarHBondContact O-N 3.3Å
203I93.1Very high90.7Very high106 Ų10681.5 Ų81.554%0.54440%0.399SS..Hα-helixtrans-64-46175.2-70.8166.3000110.3M199 E200 R206 A207M199-I203 HydrophobicContact CG-CD1 3.69Å; M199-I203 HydrophobicContact CG-CG1 4.34Å; M199-I203 WeakPolarHBondContact O-CB 3.15Å; M199-I203 VanDerWaalsContact O-CG1 3.25Å; M199-I203 WeakPolarHBondContact O-CG1 3.14Å; M199-I203 PolarHBondContact O-N 3.06Å; E200-I203 PolarHBondContact O-N 3.23Å; I203-R206 PolarHBondContact O-N 3.39Å; I203-A207 VanDerWaalsContact O-CB 3.31Å; I203-A207 WeakPolarHBondContact O-CB 3.35Å; I203-A207 PolarHBondContact O-N 2.78Å
204I92.3Very high90.8Very high71 Ų7185.2 Ų85.236%0.36440%0.402SS..Hα-helixtrans-63.5-44.3177.7-68165.8000110.7E200 A207 R208E200-I204 HydrophobicContact CG-CD1 4Å; E200-I204 WeakPolarHBondContact O-CB 3.41Å; E200-I204 VanDerWaalsContact O-CG1 3.25Å; E200-I204 WeakPolarHBondContact O-CG1 3.47Å; E200-I204 PolarHBondContact O-N 3.41Å; I204-A207 PolarHBondContact O-N 3.19Å; I204-R208 WeakPolarHBondContact O-CB 3.35Å; I204-R208 VanDerWaalsContact O-CG 3.29Å; I204-R208 WeakPolarHBondContact O-CG 3.37Å; I204-R208 PolarHBondContact O-N 2.84Å
205A89.7Confident90.8Very high5 Ų591.4 Ų91.44%0.04143%0.428CS..Hα-helixtrans-65.2-42.1178.600000112.7P157 V158 A161 N201 L202 R208 Q209P157-A205 WeakPolarHBondContact O-CB 3.48Å; V158-A205 HydrophobicContact CG2-CB 4.05Å; A161-A205 HydrophobicContact CB-CB 3.33Å; N201-A205 WeakPolarHBondContact O-CB 3.49Å; N201-A205 PolarHBondContact O-N 3.44Å; L202-A205 PolarHBondContact O-N 3.14Å; A205-R208 PolarHBondContact O-N 3.28Å; A205-Q209 WeakPolarHBondContact O-CB 3.34Å; A205-Q209 PolarHBondContact O-N 2.83Å
206R90.7Very high90.5Very high163 Ų16389.6 Ų89.662%0.61543%0.425SS*.Hα-helixtrans-64-46.7174.2-173.5174.6-175.8168.94111.2V158 L202 I203 R208 Q209 D210V158-R206 HydrophobicContact CG2-CB 4.47Å; L202-R206 VanDerWaalsContact O-CB 3.22Å; L202-R206 WeakPolarHBondContact O-CB 3.35Å; L202-R206 PolarHBondContact O-N 3.3Å; I203-R206 PolarHBondContact O-N 3.39Å; R206-R208 VanDerWaalsContact C-N 3.26Å; R206-R208 PolarHBondContact O-N 2.85Å; R206-Q209 CarbonylContact O-C 3.59Å; R206-Q209 PolarHBondContact O-N 3.34Å; R206-Q209 VanDerWaalsContact O-N 3.08Å; R206-D210 WeakPolarHBondContact O-CB 3.43Å; R206-D210 PolarHBondContact O-N 2.64Å
207A92.9Very high90.2Very high56 Ų5687.4 Ų87.446%0.46342%0.422SS..Hα-helixtrans-59.6-36.8175.900000112.5I203 I204 A211I203-A207 VanDerWaalsContact O-CB 3.31Å; I203-A207 WeakPolarHBondContact O-CB 3.35Å; I203-A207 PolarHBondContact O-N 2.78Å; I204-A207 PolarHBondContact O-N 3.19Å; A207-A211 WeakPolarHBondContact O-CB 3.36Å; A207-A211 PolarHBondContact O-N 2.76Å
208R90.7Very high90.2Very high162 Ų16287.9 Ų87.961%0.61142%0.424SS*.Hα-helixtrans-66.9-44.1172.1-73.2172-177.6-176.12.2112.1P157 I204 A205 R206 A211 L212P157-R208 HydrophobicContact CB-CB 4.45Å; I204-R208 WeakPolarHBondContact O-CB 3.35Å; I204-R208 VanDerWaalsContact O-CG 3.29Å; I204-R208 WeakPolarHBondContact O-CG 3.37Å; I204-R208 PolarHBondContact O-N 2.84Å; A205-R208 PolarHBondContact O-N 3.28Å; R206-R208 VanDerWaalsContact C-N 3.26Å; R206-R208 PolarHBondContact O-N 2.85Å; R208-A211 PolarHBondContact O-N 2.92Å; R208-L212 WeakPolarHBondContact O-CB 3.5Å; R208-L212 VanDerWaalsContact O-CG 3.3Å; R208-L212 WeakPolarHBondContact O-CG 3.3Å; R208-L212 PolarHBondContact O-N 3.02Å
209Q89Confident89.9Confident47 Ų4788.9 Ų88.922%0.2243%0.425CS..Hα-helixtrans-63.7-49176.8177.2169.3-22.500111.5V158 A205 R206 A211 L212 Q213V158-Q209 HydrophobicContact CG2-CB 4.21Å; A205-Q209 WeakPolarHBondContact O-CB 3.34Å; A205-Q209 PolarHBondContact O-N 2.83Å; R206-Q209 CarbonylContact O-C 3.59Å; R206-Q209 PolarHBondContact O-N 3.34Å; R206-Q209 VanDerWaalsContact O-N 3.08Å; Q209-A211 VanDerWaalsContact C-N 3.28Å; Q209-A211 PolarHBondContact O-N 3.1Å; Q209-L212 CarbonylContact O-C 3.59Å; Q209-L212 PolarHBondContact O-N 3.12Å; Q209-L212 VanDerWaalsContact O-N 3.11Å; Q209-Q213 HydrophobicContact CG-CG 4.28Å; Q209-Q213 WeakPolarHBondContact O-CB 3.34Å; Q209-Q213 WeakPolarHBondContact O-CG 3.49Å; Q209-Q213 PolarHBondContact O-N 3.38Å
210D90.9Very high89.6Confident47 Ų4789.1 Ų89.125%0.25142%0.42SS..Hα-helixtrans-59.1-39.6177.3-63.2-2.1000111R206 R214R206-D210 WeakPolarHBondContact O-CB 3.43Å; R206-D210 PolarHBondContact O-N 2.64Å; D210-R214 WeakPolarHBondContact O-CG 3.46Å; D210-R214 PolarHBondContact O-N 3.47Å
211A91.4Very high89.4Confident44 Ų4491 Ų9136%0.36443%0.428SS..Hα-helixtrans-69.6-33.4176.100000113.3A207 R208 Q209 K215A207-A211 WeakPolarHBondContact O-CB 3.36Å; A207-A211 PolarHBondContact O-N 2.76Å; R208-A211 PolarHBondContact O-N 2.92Å; Q209-A211 VanDerWaalsContact C-N 3.28Å; Q209-A211 PolarHBondContact O-N 3.1Å; A211-K215 WeakPolarHBondContact O-CG 3.19Å; A211-K215 PolarHBondContact O-N 3.18Å
212L87.8Confident89.3Confident92 Ų9297 Ų9748%0.48245%0.448SS..Hα-helixtrans-72.2-42.5172.6-74.4165.5000111.3P157 R208 Q209 K215 V216P157-L212 HydrophobicContact CG-CD1 3.81Å; R208-L212 WeakPolarHBondContact O-CB 3.5Å; R208-L212 VanDerWaalsContact O-CG 3.3Å; R208-L212 WeakPolarHBondContact O-CG 3.3Å; R208-L212 PolarHBondContact O-N 3.02Å; Q209-L212 CarbonylContact O-C 3.59Å; Q209-L212 PolarHBondContact O-N 3.12Å; Q209-L212 VanDerWaalsContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 3.39Å; L212-K215 VanDerWaalsContact O-N 3.17Å; L212-V216 WeakPolarHBondContact O-CG2 3.39Å; L212-V216 PolarHBondContact O-N 2.97Å
213Q87.5Confident89.2Confident85 Ų8594.2 Ų94.240%0.39743%0.434SS..Hα-helixtrans-58.3-49.8176.3-77176.6-2700111.1Q209 K215 V216 E217Q209-Q213 HydrophobicContact CG-CG 4.28Å; Q209-Q213 WeakPolarHBondContact O-CB 3.34Å; Q209-Q213 WeakPolarHBondContact O-CG 3.49Å; Q209-Q213 PolarHBondContact O-N 3.38Å; Q213-K215 VanDerWaalsContact C-N 3.3Å; Q213-K215 PolarHBondContact O-N 3.3Å; Q213-V216 PolarHBondContact O-N 2.72Å; Q213-V216 VanDerWaalsContact O-N 3.08Å; Q213-E217 WeakPolarHBondContact O-CB 3.41Å; Q213-E217 WeakPolarHBondContact O-CG 3.38Å; Q213-E217 PolarHBondContact O-N 2.85Å
214R91.5Very high88.9Confident148 Ų14890.8 Ų90.856%0.55842%0.415SS*.Hα-helixtrans-57.1-41.3174.5-70.1177.1-153.4140.110.9112.6D210 E217 E218D210-R214 WeakPolarHBondContact O-CG 3.46Å; D210-R214 PolarHBondContact O-N 3.47Å; R214-E217 PolarHBondContact O-N 3.39Å; R214-E218 VanDerWaalsContact O-CB 3.31Å; R214-E218 WeakPolarHBondContact O-CB 3.23Å; R214-E218 VanDerWaalsContact O-CG 3.29Å; R214-E218 WeakPolarHBondContact O-CG 3.27Å; R214-E218 PolarHBondContact O-N 3Å
215K89Confident88.6Confident147 Ų14790.8 Ų90.864%0.63942%0.416SS*.Hα-helixtrans-65.8-36.7176.1-77-178.4175.9-172.50113.1A211 L212 Q213 R219A211-K215 WeakPolarHBondContact O-CG 3.19Å; A211-K215 PolarHBondContact O-N 3.18Å; L212-K215 PolarHBondContact O-N 3.39Å; L212-K215 VanDerWaalsContact O-N 3.17Å; Q213-K215 VanDerWaalsContact C-N 3.3Å; Q213-K215 PolarHBondContact O-N 3.3Å; K215-R219 VanDerWaalsContact O-CB 3.26Å; K215-R219 WeakPolarHBondContact O-CB 3.29Å; K215-R219 PolarHBondContact O-N 3.08Å
216V84.6Confident88.4Confident74 Ų7493.6 Ų93.645%0.44843%0.428SS..Hα-helixtrans-69.7-42.9175.1170.60000110.6L212 Q213 R219 R220L212-V216 WeakPolarHBondContact O-CG2 3.39Å; L212-V216 PolarHBondContact O-N 2.97Å; Q213-V216 PolarHBondContact O-N 2.72Å; Q213-V216 VanDerWaalsContact O-N 3.08Å; V216-R219 PolarHBondContact O-N 2.88Å; V216-R220 VanDerWaalsContact O-CB 3.28Å; V216-R220 WeakPolarHBondContact O-CB 3.41Å; V216-R220 PolarHBondContact O-N 3.11Å
217E86.6Confident88.2Confident124 Ų12485.9 Ų85.958%0.57940%0.399SS*.Hα-helixtrans-63.6-46.9175.5-72.3165.3-166.100111.8Q213 R214 R219 R220 Q221Q213-E217 WeakPolarHBondContact O-CB 3.41Å; Q213-E217 WeakPolarHBondContact O-CG 3.38Å; Q213-E217 PolarHBondContact O-N 2.85Å; R214-E217 PolarHBondContact O-N 3.39Å; E217-R219 PolarHBondContact O-N 2.92Å; E217-R220 PolarHBondContact O-N 3.45Å; E217-Q221 WeakPolarHBondContact O-CB 3.42Å; E217-Q221 PolarHBondContact O-N 3.36Å
218E89.4Confident87.8Confident92 Ų9285.4 Ų85.443%0.4339%0.389SS..Hα-helixtrans-60.5-42173.4-77.2178.7-141.800112.2R214 R222R214-E218 VanDerWaalsContact O-CB 3.31Å; R214-E218 WeakPolarHBondContact O-CB 3.23Å; R214-E218 VanDerWaalsContact O-CG 3.29Å; R214-E218 WeakPolarHBondContact O-CG 3.27Å; R214-E218 PolarHBondContact O-N 3Å; E218-R222 VanDerWaalsContact O-CG 3.25Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 VanDerWaalsContact O-N 3.08Å; E218-R222 IonicContact OE2-NH2 3.15Å; E218-R222 PolarHBondContact OE2-NH2 3.2Å; E218-R222 VanDerWaalsContact OE2-NH2 3.11Å
219R85Confident87.5Confident72 Ų7286.1 Ų86.127%0.27239%0.392SS..Hα-helixtrans-59.1-52.7173.4168.8-178.7165.7-180-7.1109.7K215 V216 E217 Q221 R222 L223 E253 D257K215-R219 VanDerWaalsContact O-CB 3.26Å; K215-R219 WeakPolarHBondContact O-CB 3.29Å; K215-R219 PolarHBondContact O-N 3.08Å; V216-R219 PolarHBondContact O-N 2.88Å; E217-R219 PolarHBondContact O-N 2.92Å; R219-Q221 VanDerWaalsContact C-N 3.32Å; R219-Q221 PolarHBondContact O-N 3.2Å; R219-R222 PolarHBondContact O-N 2.89Å; R219-L223 HydrophobicContact CG-CD1 3.96Å; R219-L223 HydrophobicContact CG-CG 4.49Å; R219-L223 WeakPolarHBondContact O-CG 3.47Å; R219-L223 PolarHBondContact O-N 2.87Å; R219-E253 PolarHBondContact NH2-O 2.81Å; R219-D257 IonicContact CZ-OD1 2.72Å; R219-D257 VanDerWaalsContact CZ-OD1 3.28Å; R219-D257 IonicContact CZ-OD2 2.87Å; R219-D257 IonicContact NH1-OD1 2.83Å; R219-D257 PolarHBondContact NH1-OD1 3.17Å; R219-D257 IonicContact NH1-OD2 3.24Å; R219-D257 IonicContact NH2-OD1 3.96Å; R219-D257 PolarHBondContact NH2-OD1 2.7Å; R219-D257 IonicContact NH2-OD2 3.17Å; R219-D257 PolarHBondContact NH2-OD2 3.43Å; R219-D257 VanDerWaalsContact NH2-OD2 3.16Å
220R86.1Confident87.1Confident124 Ų12491.4 Ų91.447%0.46841%0.41SS..Hα-helixtrans-62-38.1-177.9-175172.2172.9-167.2-2.9112.2V216 E217 L223 Q224V216-R220 VanDerWaalsContact O-CB 3.28Å; V216-R220 WeakPolarHBondContact O-CB 3.41Å; V216-R220 PolarHBondContact O-N 3.11Å; E217-R220 PolarHBondContact O-N 3.45Å; R220-L223 PolarHBondContact O-N 3.35Å; R220-Q224 WeakPolarHBondContact O-CB 3.4Å; R220-Q224 PolarHBondContact O-N 2.83Å
221Q87.9Confident86.6Confident130 Ų13090 Ų9061%0.60740%0.401SS*.Hα-helixtrans-64.3-45.5174.6-171.1170.612.500111.6E217 R219 L223 Q224 D225E217-Q221 WeakPolarHBondContact O-CB 3.42Å; E217-Q221 PolarHBondContact O-N 3.36Å; R219-Q221 VanDerWaalsContact C-N 3.32Å; R219-Q221 PolarHBondContact O-N 3.2Å; Q221-L223 VanDerWaalsContact C-N 3.31Å; Q221-L223 PolarHBondContact O-N 3.01Å; Q221-Q224 WeakPolarHBondContact O-CB 3.49Å; Q221-Q224 PolarHBondContact O-N 3.24Å; Q221-D225 PolarHBondContact O-N 3.41Å
222R89.3Confident85.7Confident164 Ų16491.2 Ų91.262%0.61941%0.411SS*.Hα-helixtrans-61.7-37.2175.7-67.4169.9-159.6-170.89.3112.7E218 R219 D225 E226E218-R222 VanDerWaalsContact O-CG 3.25Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 VanDerWaalsContact O-N 3.08Å; E218-R222 IonicContact OE2-NH2 3.15Å; E218-R222 PolarHBondContact OE2-NH2 3.2Å; E218-R222 VanDerWaalsContact OE2-NH2 3.11Å; R219-R222 PolarHBondContact O-N 2.89Å; R222-D225 PolarHBondContact O-N 3.46Å; R222-E226 PolarHBondContact O-N 3.5Å
223L88Confident84.7Confident25 Ų2591.5 Ų91.513%0.13143%0.427CS..Hα-helixtrans-70.2-38.8175.6-66.3175.3000112.1R219 R220 Q221 D225 E226 A227 L252 E253 L256R219-L223 HydrophobicContact CG-CD1 3.96Å; R219-L223 HydrophobicContact CG-CG 4.49Å; R219-L223 WeakPolarHBondContact O-CG 3.47Å; R219-L223 PolarHBondContact O-N 2.87Å; R220-L223 PolarHBondContact O-N 3.35Å; Q221-L223 VanDerWaalsContact C-N 3.31Å; Q221-L223 PolarHBondContact O-N 3.01Å; L223-D225 VanDerWaalsContact C-N 3.32Å; L223-E226 PolarHBondContact O-N 3.33Å; L223-A227 WeakPolarHBondContact O-CB 3.41Å; L223-A227 PolarHBondContact O-N 3.3Å; L223-L252 HydrophobicContact CD2-CB 4.1Å; L223-E253 HydrophobicContact CD1-CB 3.9Å; L223-E253 HydrophobicContact CD1-CG 4.37Å; L223-L256 HydrophobicContact CD1-CD1 4.01Å; L223-L256 HydrophobicContact CD2-CD1 3.9Å; L223-L256 HydrophobicContact CG-CD1 4.48Å
224Q86.6Confident83.4Confident34 Ų3490.3 Ų90.316%0.15943%0.428CS..Hα-helixtrans-63-39.6172.1-172.16460.500111.2R220 Q221 A227 N228R220-Q224 WeakPolarHBondContact O-CB 3.4Å; R220-Q224 PolarHBondContact O-N 2.83Å; Q221-Q224 WeakPolarHBondContact O-CB 3.49Å; Q221-Q224 PolarHBondContact O-N 3.24Å; Q224-A227 PolarHBondContact O-N 3.43Å; Q224-N228 PolarHBondContact NE2-OD1 3.04Å; Q224-N228 VanDerWaalsContact NE2-OD1 3.15Å; Q224-N228 VanDerWaalsContact O-CB 3.31Å; Q224-N228 WeakPolarHBondContact O-CB 3.36Å; Q224-N228 PolarHBondContact O-N 3.41Å; Q224-N228 PolarHBondContact O-ND2 3.13Å; Q224-N228 PolarHBondContact O-OD1 3.04Å
225D86.4Confident82.3Confident72 Ų7286.3 Ų86.339%0.38543%0.433SS..Hα-helixtrans-67.3-38.7175.8-69.7-26.1000112.3Q221 R222 L223 N228 R229Q221-D225 PolarHBondContact O-N 3.41Å; R222-D225 PolarHBondContact O-N 3.46Å; L223-D225 VanDerWaalsContact C-N 3.32Å; D225-N228 PolarHBondContact O-N 2.7Å; D225-R229 VanDerWaalsContact O-CG 3.3Å; D225-R229 WeakPolarHBondContact O-CG 3.28Å; D225-R229 PolarHBondContact O-N 3.46Å
226E85.4Confident80.7Confident64 Ų6483.3 Ų83.330%0.29944%0.436SS..Hα-helixtrans-66.6-42.5173.3-178.857.8-15800111.8R222 L223 R229 R230 L252R222-E226 PolarHBondContact O-N 3.5Å; L223-E226 PolarHBondContact O-N 3.33Å; E226-R229 PolarHBondContact O-N 2.69Å; E226-R229 IonicContact OE2-NH1 3.88Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.1Å; E226-R230 IonicContact OE1-NE 3.9Å; E226-R230 PolarHBondContact OE1-NE 3.35Å; E226-R230 IonicContact OE1-NH2 3.72Å; E226-L252 HydrophobicContact CG-CD1 4.43Å
227A85.3Confident80Confident0 Ų085.7 Ų85.70%045%0.445CS..Hα-helixtrans-58-50.6170.700000110.7L223 Q224 R229 R230 F231 Y248 A249L223-A227 WeakPolarHBondContact O-CB 3.41Å; L223-A227 PolarHBondContact O-N 3.3Å; Q224-A227 PolarHBondContact O-N 3.43Å; A227-R229 VanDerWaalsContact C-N 3.26Å; A227-R229 PolarHBondContact O-N 3.39Å; A227-R230 WeakPolarHBondContact O-CB 3.23Å; A227-R230 PolarHBondContact O-N 3.31Å; A227-F231 VanDerWaalsContact O-CD2 3.32Å; A227-F231 WeakPolarHBondContact O-CD2 3.18Å; A227-F231 PolarHBondContact O-N 3.04Å; A227-F231 VanDerWaalsContact O-N 3.11Å; A227-Y248 HydrophobicContact CB-CD1 3.87Å; A227-A249 HydrophobicContact CB-CB 4.06Å
228N85.6Confident79.6Confident47 Ų4782.8 Ų82.825%0.25144%0.436SS..Hα-helixtrans-55.7-39.4178-69-19000112Q224 D225 A232Q224-N228 PolarHBondContact NE2-OD1 3.04Å; Q224-N228 VanDerWaalsContact NE2-OD1 3.15Å; Q224-N228 VanDerWaalsContact O-CB 3.31Å; Q224-N228 WeakPolarHBondContact O-CB 3.36Å; Q224-N228 PolarHBondContact O-N 3.41Å; Q224-N228 PolarHBondContact O-ND2 3.13Å; Q224-N228 PolarHBondContact O-OD1 3.04Å; D225-N228 PolarHBondContact O-N 2.7Å; N228-A232 WeakPolarHBondContact O-CB 3.27Å; N228-A232 PolarHBondContact O-N 3.27Å
229R85.2Confident79.1Confident176 Ų17682.6 Ų82.666%0.66445%0.451SS*.Hα-helixtrans-64.5-41.8174.2-73.6168.6-175.5169.50.6113.1D225 E226 A227 F231 A232D225-R229 VanDerWaalsContact O-CG 3.3Å; D225-R229 WeakPolarHBondContact O-CG 3.28Å; D225-R229 PolarHBondContact O-N 3.46Å; E226-R229 PolarHBondContact O-N 2.69Å; E226-R229 IonicContact OE2-NH1 3.88Å; A227-R229 VanDerWaalsContact C-N 3.26Å; A227-R229 PolarHBondContact O-N 3.39Å; R229-F231 VanDerWaalsContact C-N 3.32Å; R229-F231 PolarHBondContact O-N 3.24Å; R229-A232 PolarHBondContact O-N 3.17Å
230R80.1Confident78.6Confident158 Ų15886.2 Ų86.260%0.59647%0.47SS*.Hα-helixtrans-62.6-38.8178.6-69.8-64.1-174.8124.8-0.4112.3E226 A227 Y248E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.1Å; E226-R230 IonicContact OE1-NE 3.9Å; E226-R230 PolarHBondContact OE1-NE 3.35Å; E226-R230 IonicContact OE1-NH2 3.72Å; A227-R230 WeakPolarHBondContact O-CB 3.23Å; A227-R230 PolarHBondContact O-N 3.31Å; R230-Y248 HydrophobicContact CG-CE1 4.3Å
231F79Confident78.2Confident17 Ų1781.7 Ų81.78%0.07545%0.454CS..Hα-helixtrans-89.3-9.2177.3-68.1-88.3000113.9A227 R229 A233 S234 Q244 R245 Y248 L435A227-F231 VanDerWaalsContact O-CD2 3.32Å; A227-F231 WeakPolarHBondContact O-CD2 3.18Å; A227-F231 PolarHBondContact O-N 3.04Å; A227-F231 VanDerWaalsContact O-N 3.11Å; R229-F231 VanDerWaalsContact C-N 3.32Å; R229-F231 PolarHBondContact O-N 3.24Å; F231-A233 PolarHBondContact O-N 3.33Å; F231-S234 WeakPolarHBondContact O-CB 3.4Å; F231-S234 PolarHBondContact O-N 3.05Å; F231-Q244 HydrophobicContact CE1-CB 4.12Å; F231-Q244 HydrophobicContact CZ-CB 4.15Å; F231-R245 HydrophobicContact CB-CG 3.66Å; F231-R245 HydrophobicContact CD1-CG 4.43Å; F231-R245 HydrophobicContact CD2-CB 4.33Å; F231-R245 HydrophobicContact CD2-CG 3.51Å; F231-R245 HydrophobicContact CE2-CG 4.23Å; F231-R245 HydrophobicContact CG-CG 3.63Å; F231-R245 PolarHBondContact O-NH2 3.43Å; F231-Y248 AromaticContact CE2-CD1 3.99Å; F231-Y248 HydrophobicContact CE2-CD1 3.99Å; F231-Y248 HydrophobicContact CE2-CG 4.05Å; F231-L435 HydrophobicContact CE1-CD1 3.98Å; F231-L435 HydrophobicContact CZ-CD1 3.58Å
232A73.6Confident77.9Confident70 Ų7079.4 Ų79.458%0.57944%0.444SS*.THydrogen-bonded Turntrans-69-10.8179.400000114.6N228 R229 S234N228-A232 WeakPolarHBondContact O-CB 3.27Å; N228-A232 PolarHBondContact O-N 3.27Å; R229-A232 PolarHBondContact O-N 3.17Å; A232-S234 VanDerWaalsContact C-N 3.32Å
233A67.6Low77.6Confident99 Ų9975 Ų7582%0.81843%0.43SS*.THydrogen-bonded Turntrans-75.8-21.6169.700000112.6F231F231-A233 PolarHBondContact O-N 3.33Å
234S59.4Low77.3Confident59 Ų5975.9 Ų75.941%0.41343%0.434SS..SBendtrans-83.9128.4169.5-58.30000109.6F231 A232 E241F231-S234 WeakPolarHBondContact O-CB 3.4Å; F231-S234 PolarHBondContact O-N 3.05Å; A232-S234 VanDerWaalsContact C-N 3.32Å; S234-E241 WeakPolarHBondContact CB-OE1 3.43Å
235G67.8Low77.3Confident65 Ų6574.9 Ų74.967%0.6743%0.429SS*.  trans-79.8157.4-179.900000112.9
236A56.8Low77.2Confident83 Ų8374.4 Ų74.469%0.68643%0.426SS*.SBendtrans59.8110.2179.500000115.2T238A236-T238 PolarHBondContact O-N 3.13Å
237L69.1Low77.3Confident124 Ų12472.2 Ų72.265%0.64942%0.416SS*.  trans-69.486.8-177.4-146.594.8000111.7R245L237-R245 VanDerWaalsContact CD1-NH1 3.35Å
238T79Confident77.3Confident64 Ų6472.9 Ų72.939%0.39342%0.419SS..  trans-76.1158.6174.573.70000111.1A236 E240 E241 Q242A236-T238 PolarHBondContact O-N 3.13Å; T238-E240 PolarHBondContact O-N 2.61Å; T238-E241 PolarHBondContact O-N 3.13Å; T238-E241 WeakPolarHBondContact OG1-CB 3.46Å; T238-E241 WeakPolarHBondContact OG1-CG 3.3Å; T238-E241 PolarHBondContact OG1-N 3.02Å; T238-Q242 PolarHBondContact O-N 3.04Å
239A77.8Confident77.4Confident88 Ų8871 Ų7173%0.72741%0.409SS*.Hα-helixtrans-63.5-33.9175.600000112.1Q242 E243A239-Q242 PolarHBondContact O-N 3.39Å; A239-E243 PolarHBondContact O-N 2.96Å
240E75.2Confident77.5Confident147 Ų14767.8 Ų67.869%0.68740%0.397SS*.Hα-helixtrans-69-44.9178-67.1167.2-176.400111.5T238 Q242 E243 Q244T238-E240 PolarHBondContact O-N 2.61Å; E240-Q242 VanDerWaalsContact C-N 3.27Å; E240-Q242 PolarHBondContact O-N 2.85Å; E240-E243 PolarHBondContact O-N 3.02Å; E240-Q244 WeakPolarHBondContact O-CG 3.39Å; E240-Q244 PolarHBondContact O-N 3.18Å
241E76.6Confident77.9Confident29 Ų2960.4 Ų60.414%0.13637%0.369CS..Hα-helixtrans-60.9-38.1171.6-78-167.6177.200111.7S234 T238 E243 Q244 R245S234-E241 WeakPolarHBondContact CB-OE1 3.43Å; T238-E241 PolarHBondContact O-N 3.13Å; T238-E241 WeakPolarHBondContact OG1-CB 3.46Å; T238-E241 WeakPolarHBondContact OG1-CG 3.3Å; T238-E241 PolarHBondContact OG1-N 3.02Å; E241-E243 VanDerWaalsContact C-N 3.34Å; E241-Q244 PolarHBondContact O-N 2.88Å; E241-R245 WeakPolarHBondContact O-CB 3.33Å; E241-R245 WeakPolarHBondContact O-CD 3.27Å; E241-R245 WeakPolarHBondContact O-CG 3.34Å; E241-R245 PolarHBondContact O-N 3.48Å; E241-R245 IonicContact OE2-CZ 3.39Å; E241-R245 IonicContact OE2-NE 2.85Å; E241-R245 IonicContact OE2-NH2 3.3Å; E241-R245 PolarHBondContact OE2-NH2 3.25Å
242Q81.8Confident78.2Confident82 Ų8260.7 Ų60.738%0.38337%0.372SS..Hα-helixtrans-66.6-35.9177.4-169.962.422.100112.1T238 A239 E240 L246T238-Q242 PolarHBondContact O-N 3.04Å; A239-Q242 PolarHBondContact O-N 3.39Å; E240-Q242 VanDerWaalsContact C-N 3.27Å; E240-Q242 PolarHBondContact O-N 2.85Å; Q242-L246 PolarHBondContact O-N 3.21Å
243E82.6Confident78.8Confident71 Ų7159.5 Ų59.533%0.33235%0.354SS..Hα-helixtrans-68.6-44.9171.1-175164.3-155.800111.4A239 E240 E241 R245 L246 L247 K297A239-E243 PolarHBondContact O-N 2.96Å; E240-E243 PolarHBondContact O-N 3.02Å; E241-E243 VanDerWaalsContact C-N 3.34Å; E243-R245 PolarHBondContact O-N 2.88Å; E243-L246 PolarHBondContact O-N 3.41Å; E243-L247 HydrophobicContact CG-CD1 3.8Å; E243-L247 HydrophobicContact CG-CG 4.29Å; E243-L247 WeakPolarHBondContact O-CB 3.34Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.43Å; E243-L247 PolarHBondContact O-N 3.33Å; E243-K297 IonicContact OE1-NZ 3.95Å; E243-K297 PolarHBondContact OE1-NZ 2.9Å
244Q81.6Confident79.7Confident45 Ų4556.3 Ų56.321%0.2132%0.321CS..Hα-helixtrans-59.1-43175.1-73.5-177-2.400112.5F231 E240 E241 L246 L247 Y248 Q428F231-Q244 HydrophobicContact CE1-CB 4.12Å; F231-Q244 HydrophobicContact CZ-CB 4.15Å; E240-Q244 WeakPolarHBondContact O-CG 3.39Å; E240-Q244 PolarHBondContact O-N 3.18Å; E241-Q244 PolarHBondContact O-N 2.88Å; Q244-L246 VanDerWaalsContact C-N 3.34Å; Q244-L246 PolarHBondContact O-N 2.88Å; Q244-L247 PolarHBondContact O-N 3.07Å; Q244-Y248 WeakPolarHBondContact O-CB 3.48Å; Q244-Y248 PolarHBondContact O-N 3.27Å; Q244-Q428 HydrophobicContact CG-CG 4.38Å
245R86.5Confident80.9Confident13 Ų1354.2 Ų54.25%0.04931%0.305CS..Hα-helixtrans-59.1-43.5174.9-71.8161-160.9-129.23.1111.7F231 L237 E241 E243 A249F231-R245 HydrophobicContact CB-CG 3.66Å; F231-R245 HydrophobicContact CD1-CG 4.43Å; F231-R245 HydrophobicContact CD2-CB 4.33Å; F231-R245 HydrophobicContact CD2-CG 3.51Å; F231-R245 HydrophobicContact CE2-CG 4.23Å; F231-R245 HydrophobicContact CG-CG 3.63Å; F231-R245 PolarHBondContact O-NH2 3.43Å; L237-R245 VanDerWaalsContact CD1-NH1 3.35Å; E241-R245 WeakPolarHBondContact O-CB 3.33Å; E241-R245 WeakPolarHBondContact O-CD 3.27Å; E241-R245 WeakPolarHBondContact O-CG 3.34Å; E241-R245 PolarHBondContact O-N 3.48Å; E241-R245 IonicContact OE2-CZ 3.39Å; E241-R245 IonicContact OE2-NE 2.85Å; E241-R245 IonicContact OE2-NH2 3.3Å; E241-R245 PolarHBondContact OE2-NH2 3.25Å; E243-R245 PolarHBondContact O-N 2.88Å; R245-A249 WeakPolarHBondContact O-CB 3.16Å; R245-A249 PolarHBondContact O-N 3.21Å
246L86.1Confident81.6Confident61 Ų6155.5 Ų55.532%0.31930%0.296SS..Hα-helixtrans-68.3-39.6177.7-179.465.3000112.1Q242 E243 Q244 R250Q242-L246 PolarHBondContact O-N 3.21Å; E243-L246 PolarHBondContact O-N 3.41Å; Q244-L246 VanDerWaalsContact C-N 3.34Å; Q244-L246 PolarHBondContact O-N 2.88Å; L246-R250 WeakPolarHBondContact O-CG 3.39Å; L246-R250 PolarHBondContact O-N 2.84Å
247L85.9Confident82.8Confident18 Ų1856.4 Ų56.49%0.09429%0.289CS..Hα-helixtrans-67.1-45.4177.1-70.9166.6000111.3E243 Q244 A249 R250 V251 L294 L432E243-L247 HydrophobicContact CG-CD1 3.8Å; E243-L247 HydrophobicContact CG-CG 4.29Å; E243-L247 WeakPolarHBondContact O-CB 3.34Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.43Å; E243-L247 PolarHBondContact O-N 3.33Å; Q244-L247 PolarHBondContact O-N 3.07Å; L247-A249 VanDerWaalsContact C-N 3.34Å; L247-A249 PolarHBondContact O-N 2.9Å; L247-R250 WeakPolarHBondContact O-CB 3.39Å; L247-R250 PolarHBondContact O-N 3.03Å; L247-R250 VanDerWaalsContact O-N 3.12Å; L247-V251 PolarHBondContact O-N 3.1Å; L247-V251 VanDerWaalsContact O-N 3.07Å; L247-L294 HydrophobicContact CD1-CD1 3.83Å; L247-L294 HydrophobicContact CD1-CD2 3.82Å; L247-L294 HydrophobicContact CD1-CG 4.49Å; L247-L294 HydrophobicContact CD2-CD1 3.95Å; L247-L294 HydrophobicContact CD2-CD2 4.36Å; L247-L432 HydrophobicContact CB-CD1 3.9Å; L247-L432 HydrophobicContact CD1-CD1 3.96Å
248Y86.6Confident83.5Confident15 Ų1553.7 Ų53.76%0.05927%0.273CS..Hα-helixtrans-63.2-38.7176.1-173-111.9000112.1A227 R230 F231 Q244 R250 V251 L252 L435A227-Y248 HydrophobicContact CB-CD1 3.87Å; R230-Y248 HydrophobicContact CG-CE1 4.3Å; F231-Y248 AromaticContact CE2-CD1 3.99Å; F231-Y248 HydrophobicContact CE2-CD1 3.99Å; F231-Y248 HydrophobicContact CE2-CG 4.05Å; Q244-Y248 WeakPolarHBondContact O-CB 3.48Å; Q244-Y248 PolarHBondContact O-N 3.27Å; Y248-R250 VanDerWaalsContact C-N 3.28Å; Y248-R250 PolarHBondContact O-N 2.9Å; Y248-V251 PolarHBondContact O-N 3.36Å; Y248-V251 VanDerWaalsContact O-N 3.1Å; Y248-L252 HydrophobicContact CD1-CD1 3.99Å; Y248-L252 HydrophobicContact CD1-CG 4.24Å; Y248-L252 HydrophobicContact CE1-CD1 3.65Å; Y248-L252 HydrophobicContact CE1-CD2 4.15Å; Y248-L252 HydrophobicContact CE1-CG 3.92Å; Y248-L252 WeakPolarHBondContact O-CG 3.46Å; Y248-L252 PolarHBondContact O-N 3.27Å; Y248-L435 HydrophobicContact CD2-CB 4.17Å; Y248-L435 HydrophobicContact CE2-CB 3.89Å
249A86.9Confident83.7Confident7 Ų755.5 Ų55.56%0.05828%0.28CS..Hα-helixtrans-59.8-35.5173.300000112.8A227 R245 L247 E253A227-A249 HydrophobicContact CB-CB 4.06Å; R245-A249 WeakPolarHBondContact O-CB 3.16Å; R245-A249 PolarHBondContact O-N 3.21Å; L247-A249 VanDerWaalsContact C-N 3.34Å; L247-A249 PolarHBondContact O-N 2.9Å; A249-E253 PolarHBondContact O-N 2.92Å
250R87.8Confident84.2Confident109 Ų10952.4 Ų52.441%0.41125%0.25SC..Hα-helixtrans-69.3-37.8172.5-65.8179.5-170.6-1614.2112.6L246 L247 Y248 E253 Y254 P290L246-R250 WeakPolarHBondContact O-CG 3.39Å; L246-R250 PolarHBondContact O-N 2.84Å; L247-R250 WeakPolarHBondContact O-CB 3.39Å; L247-R250 PolarHBondContact O-N 3.03Å; L247-R250 VanDerWaalsContact O-N 3.12Å; Y248-R250 VanDerWaalsContact C-N 3.28Å; Y248-R250 PolarHBondContact O-N 2.9Å; R250-E253 WeakPolarHBondContact O-CB 3.38Å; R250-E253 PolarHBondContact O-N 2.82Å; R250-Y254 PolarHBondContact O-N 2.99Å; R250-P290 HydrophobicContact CB-CB 4.39Å; R250-P290 HydrophobicContact CB-CG 4.48Å
251V88.3Confident84.7Confident2 Ų245.4 Ų45.41%0.01222%0.217CC..Hα-helixtrans-62.4-47.8174176.60000110.2L247 Y248 E253 Y254 E255 P290 L291 S436L247-V251 PolarHBondContact O-N 3.1Å; L247-V251 VanDerWaalsContact O-N 3.07Å; Y248-V251 PolarHBondContact O-N 3.36Å; Y248-V251 VanDerWaalsContact O-N 3.1Å; V251-E253 PolarHBondContact O-N 3.38Å; V251-Y254 WeakPolarHBondContact O-CB 3.49Å; V251-Y254 PolarHBondContact O-N 2.76Å; V251-E255 HydrophobicContact CG1-CG 4.1Å; V251-E255 WeakPolarHBondContact O-CG 3.44Å; V251-E255 PolarHBondContact O-N 3.05Å; V251-P290 HydrophobicContact CG2-CB 4.02Å; V251-P290 HydrophobicContact CG2-CG 4.39Å; V251-L291 HydrophobicContact CG2-CG 4.41Å; V251-S436 WeakPolarHBondContact CG1-OG 3.42Å
252L85.5Confident85.2Confident24 Ų2447.4 Ų47.413%0.12623%0.225CC..Hα-helixtrans-59.7-34.3175.2-66.2179.7000112.9L223 E226 Y248 L256L223-L252 HydrophobicContact CD2-CB 4.1Å; E226-L252 HydrophobicContact CG-CD1 4.43Å; Y248-L252 HydrophobicContact CD1-CD1 3.99Å; Y248-L252 HydrophobicContact CD1-CG 4.24Å; Y248-L252 HydrophobicContact CE1-CD1 3.65Å; Y248-L252 HydrophobicContact CE1-CD2 4.15Å; Y248-L252 HydrophobicContact CE1-CG 3.92Å; Y248-L252 WeakPolarHBondContact O-CG 3.46Å; Y248-L252 PolarHBondContact O-N 3.27Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.12Å
253E86.3Confident85.4Confident45 Ų4548.8 Ų48.821%0.2123%0.232CC..Hα-helixtrans-64-46.6172.9-171.9167.3-151.600111R219 L223 A249 R250 V251 L256R219-E253 PolarHBondContact NH2-O 2.81Å; L223-E253 HydrophobicContact CD1-CB 3.9Å; L223-E253 HydrophobicContact CD1-CG 4.37Å; A249-E253 PolarHBondContact O-N 2.92Å; R250-E253 WeakPolarHBondContact O-CB 3.38Å; R250-E253 PolarHBondContact O-N 2.82Å; V251-E253 PolarHBondContact O-N 3.38Å; E253-L256 PolarHBondContact O-N 3.28Å
254Y85.9Confident85.5Confident32 Ų3247.9 Ų47.913%0.12523%0.226CC..Hα-helixtrans-64-42.4176.7-176.8-82.1000113.1R250 V251 L256 D257 H258 W260 D288 H289 P290R250-Y254 PolarHBondContact O-N 2.99Å; V251-Y254 WeakPolarHBondContact O-CB 3.49Å; V251-Y254 PolarHBondContact O-N 2.76Å; Y254-L256 PolarHBondContact O-N 3.48Å; Y254-D257 PolarHBondContact O-N 3.29Å; Y254-D257 VanDerWaalsContact O-N 3.11Å; Y254-H258 HydrophobicContact CD1-CB 4.4Å; Y254-H258 AromaticContact CD1-ND1 3.61Å; Y254-H258 AromaticContact CD2-CE1 3.58Å; Y254-H258 AromaticContact CD2-ND1 3.68Å; Y254-H258 HydrophobicContact CE1-CB 3.97Å; Y254-H258 AromaticContact CE1-CE1 3.96Å; Y254-H258 AromaticContact CE1-CG 3.61Å; Y254-H258 AromaticContact CE1-ND1 3.44Å; Y254-H258 WeakPolarHBondContact CE1-ND1 3.28Å; Y254-H258 AromaticContact CE2-CE1 3.22Å; Y254-H258 WeakPolarHBondContact CE2-CE1 3.4Å; Y254-H258 AromaticContact CE2-ND1 3.54Å; Y254-H258 AromaticContact CE2-NE2 3.78Å; Y254-H258 AromaticContact CG-ND1 3.71Å; Y254-H258 AromaticContact CZ-CD2 3.84Å; Y254-H258 AromaticContact CZ-CE1 3.42Å; Y254-H258 VanDerWaalsContact CZ-CE1 3.42Å; Y254-H258 AromaticContact CZ-CG 3.68Å; Y254-H258 AromaticContact CZ-ND1 3.41Å; Y254-H258 AromaticContact CZ-NE2 3.69Å; Y254-H258 PolarHBondContact O-N 2.93Å; Y254-H258 VanDerWaalsContact O-N 3.1Å; Y254-H258 PolarHBondContact O-ND1 3.1Å; Y254-W260 AromaticContact CE1-CZ2 3.96Å; Y254-W260 HydrophobicContact CE1-CZ2 3.96Å; Y254-W260 AromaticContact CE1-NE1 3.77Å; Y254-D288 WeakPolarHBondContact CE2-O 3.31Å; Y254-H289 AromaticContact CD1-CD2 3.46Å; Y254-H289 VanDerWaalsContact CD1-CD2 3.46Å; Y254-H289 WeakPolarHBondContact CD1-CD2 3.46Å; Y254-H289 HydrophobicContact CE1-CB 4.48Å; Y254-H289 AromaticContact CE1-CD2 3.52Å; Y254-P290 HydrophobicContact CD2-CG 4.33Å; Y254-P290 HydrophobicContact CG-CG 4.22Å
255E84.1Confident85.7Confident14 Ų1448.1 Ų48.17%0.06523%0.225CC..Hα-helixtrans-64-19.3178.3-68.4-147.3127.700113.8V251 P261 K262 R265V251-E255 HydrophobicContact CG1-CG 4.1Å; V251-E255 WeakPolarHBondContact O-CG 3.44Å; V251-E255 PolarHBondContact O-N 3.05Å; E255-P261 HydrophobicContact CG-CB 4.33Å; E255-P261 HydrophobicContact CG-CG 4.4Å; E255-P261 VanDerWaalsContact OE1-CB 3.27Å; E255-P261 WeakPolarHBondContact OE1-CB 3.43Å; E255-K262 VanDerWaalsContact O-CE 3.25Å; E255-K262 WeakPolarHBondContact O-CE 3.49Å; E255-K262 PolarHBondContact O-NZ 2.94Å; E255-R265 IonicContact OE1-CZ 2.68Å; E255-R265 IonicContact OE1-NE 2.77Å; E255-R265 IonicContact OE1-NH1 2.8Å; E255-R265 IonicContact OE1-NH2 3.55Å; E255-R265 PolarHBondContact OE1-NH2 2.97Å; E255-R265 IonicContact OE2-CZ 3.46Å; E255-R265 VanDerWaalsContact OE2-CZ 3.3Å; E255-R265 IonicContact OE2-NH1 2.77Å; E255-R265 PolarHBondContact OE2-NH1 3.47Å; E255-R265 VanDerWaalsContact OE2-NH1 3.09Å; E255-R265 IonicContact OE2-NH2 3.12Å; E255-R265 PolarHBondContact OE2-NH2 2.93Å
256L82.4Confident85.8Confident92 Ų9250.9 Ų50.948%0.48224%0.243SC..Hα-helixtrans-82.7-31174.3-78.9176.1000112.5L223 L252 E253 Y254L223-L256 HydrophobicContact CD1-CD1 4.01Å; L223-L256 HydrophobicContact CD2-CD1 3.9Å; L223-L256 HydrophobicContact CG-CD1 4.48Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.12Å; E253-L256 PolarHBondContact O-N 3.28Å; Y254-L256 PolarHBondContact O-N 3.48Å
257D82.1Confident85.8Confident102 Ų10251.4 Ų51.455%0.54525%0.246SC..Hα-helixtrans-87.2-12.5178.6-61-26.3000112.6R219 Y254R219-D257 IonicContact CZ-OD1 2.72Å; R219-D257 VanDerWaalsContact CZ-OD1 3.28Å; R219-D257 IonicContact CZ-OD2 2.87Å; R219-D257 IonicContact NH1-OD1 2.83Å; R219-D257 PolarHBondContact NH1-OD1 3.17Å; R219-D257 IonicContact NH1-OD2 3.24Å; R219-D257 IonicContact NH2-OD1 3.96Å; R219-D257 PolarHBondContact NH2-OD1 2.7Å; R219-D257 IonicContact NH2-OD2 3.17Å; R219-D257 PolarHBondContact NH2-OD2 3.43Å; R219-D257 VanDerWaalsContact NH2-OD2 3.16Å; Y254-D257 PolarHBondContact O-N 3.29Å; Y254-D257 VanDerWaalsContact O-N 3.11Å
258H83.9Confident85.8Confident67 Ų6750.7 Ų50.731%0.3124%0.242SC..  trans-126.5133.6179.6-57.482.1000112Y254 P261 K262Y254-H258 HydrophobicContact CD1-CB 4.4Å; Y254-H258 AromaticContact CD1-ND1 3.61Å; Y254-H258 AromaticContact CD2-CE1 3.58Å; Y254-H258 AromaticContact CD2-ND1 3.68Å; Y254-H258 HydrophobicContact CE1-CB 3.97Å; Y254-H258 AromaticContact CE1-CE1 3.96Å; Y254-H258 AromaticContact CE1-CG 3.61Å; Y254-H258 AromaticContact CE1-ND1 3.44Å; Y254-H258 WeakPolarHBondContact CE1-ND1 3.28Å; Y254-H258 AromaticContact CE2-CE1 3.22Å; Y254-H258 WeakPolarHBondContact CE2-CE1 3.4Å; Y254-H258 AromaticContact CE2-ND1 3.54Å; Y254-H258 AromaticContact CE2-NE2 3.78Å; Y254-H258 AromaticContact CG-ND1 3.71Å; Y254-H258 AromaticContact CZ-CD2 3.84Å; Y254-H258 AromaticContact CZ-CE1 3.42Å; Y254-H258 VanDerWaalsContact CZ-CE1 3.42Å; Y254-H258 AromaticContact CZ-CG 3.68Å; Y254-H258 AromaticContact CZ-ND1 3.41Å; Y254-H258 AromaticContact CZ-NE2 3.69Å; Y254-H258 PolarHBondContact O-N 2.93Å; Y254-H258 VanDerWaalsContact O-N 3.1Å; Y254-H258 PolarHBondContact O-ND1 3.1Å; H258-P261 WeakPolarHBondContact O-CD 3.12Å; H258-K262 PolarHBondContact O-NZ 2.99Å; H258-K262 VanDerWaalsContact O-NZ 3.16Å
259D84.6Confident85.7Confident102 Ų10255.7 Ų55.755%0.54526%0.264SS..SBendtrans-92.6-16.7-180-72.9-40.1000114.5P261 K262 Q263D259-P261 VanDerWaalsContact C-CD 3.41Å; D259-K262 WeakPolarHBondContact O-CB 3.26Å; D259-K262 PolarHBondContact O-N 2.84Å; D259-K262 VanDerWaalsContact O-N 3.17Å; D259-K262 IonicContact OD1-NZ 2.79Å; D259-K262 PolarHBondContact OD1-NZ 3.33Å; D259-Q263 WeakPolarHBondContact O-CG 3.4Å; D259-Q263 PolarHBondContact O-N 2.8Å; D259-Q263 VanDerWaalsContact O-N 3.09Å
260W87.8Confident85.7Confident23 Ų2362.4 Ų62.49%0.08729%0.292CS..Hα-helixtrans-55.7-41.4179.873.2-103.1000113.8Y254 K262 Q263 W264 L280 Y283 L284 H289 F437Y254-W260 AromaticContact CE1-CZ2 3.96Å; Y254-W260 HydrophobicContact CE1-CZ2 3.96Å; Y254-W260 AromaticContact CE1-NE1 3.77Å; W260-K262 PolarHBondContact O-N 3.3Å; W260-Q263 PolarHBondContact O-N 2.79Å; W260-W264 AromaticContact CE3-CD1 3.88Å; W260-W264 VanDerWaalsContact O-CD1 3.26Å; W260-W264 PolarHBondContact O-N 2.96Å; W260-L280 HydrophobicContact CE3-CD1 4.36Å; W260-L280 HydrophobicContact CZ3-CD1 3.75Å; W260-Y283 HydrophobicContact CB-CE1 4.39Å; W260-Y283 AromaticContact CD1-CE1 3.94Å; W260-Y283 AromaticContact CD2-CD1 3.96Å; W260-Y283 HydrophobicContact CD2-CD1 3.96Å; W260-Y283 AromaticContact CD2-CE1 3.47Å; W260-Y283 HydrophobicContact CD2-CE1 3.47Å; W260-Y283 VanDerWaalsContact CD2-CE1 3.47Å; W260-Y283 AromaticContact CE2-CE1 3.66Å; W260-Y283 AromaticContact CE3-CD1 3.82Å; W260-Y283 HydrophobicContact CE3-CD1 3.82Å; W260-Y283 AromaticContact CE3-CE1 3.84Å; W260-Y283 HydrophobicContact CE3-CE1 3.84Å; W260-Y283 AromaticContact CG-CE1 3.72Å; W260-Y283 HydrophobicContact CG-CE1 3.72Å; W260-Y283 HydrophobicContact CH2-CD1 4.29Å; W260-Y283 HydrophobicContact CZ2-CD1 4.39Å; W260-Y283 HydrophobicContact CZ2-CE1 4.18Å; W260-Y283 HydrophobicContact CZ3-CD1 4Å; W260-Y283 HydrophobicContact CZ3-CE1 4.35Å; W260-Y283 AromaticContact NE1-CE1 3.93Å; W260-L284 HydrophobicContact CH2-CB 4.22Å; W260-L284 HydrophobicContact CH2-CG 4.35Å; W260-H289 AromaticContact CZ2-CD2 3.93Å; W260-F437 HydrophobicContact CH2-CZ 4.05Å; W260-F437 HydrophobicContact CZ3-CE1 4.22Å; W260-F437 AromaticContact CZ3-CZ 3.89Å; W260-F437 HydrophobicContact CZ3-CZ 3.89Å
261P86.2Confident85.5Confident0 Ų062.3 Ų62.30%030%0.3CS..Hα-helixtrans-65.6-30.3-178-19.233.2000112.2E255 H258 D259 R265 F437E255-P261 HydrophobicContact CG-CB 4.33Å; E255-P261 HydrophobicContact CG-CG 4.4Å; E255-P261 VanDerWaalsContact OE1-CB 3.27Å; E255-P261 WeakPolarHBondContact OE1-CB 3.43Å; H258-P261 WeakPolarHBondContact O-CD 3.12Å; D259-P261 VanDerWaalsContact C-CD 3.41Å; P261-R265 WeakPolarHBondContact O-CB 3.34Å; P261-R265 WeakPolarHBondContact O-CG 3.47Å; P261-R265 PolarHBondContact O-N 3.47Å; P261-R265 VanDerWaalsContact O-N 3.15Å; P261-R265 PolarHBondContact O-NE 3.49Å; P261-F437 HydrophobicContact CB-CE1 3.96Å; P261-F437 HydrophobicContact CB-CZ 4.1Å
262K85.3Confident85.3Confident71 Ų7166.5 Ų66.531%0.30933%0.327SS..Hα-helixtrans-73-45.7176.6-51.3-177.3-167.289.10110.3E255 H258 D259 W260 R265 T266E255-K262 VanDerWaalsContact O-CE 3.25Å; E255-K262 WeakPolarHBondContact O-CE 3.49Å; E255-K262 PolarHBondContact O-NZ 2.94Å; H258-K262 PolarHBondContact O-NZ 2.99Å; H258-K262 VanDerWaalsContact O-NZ 3.16Å; D259-K262 WeakPolarHBondContact O-CB 3.26Å; D259-K262 PolarHBondContact O-N 2.84Å; D259-K262 VanDerWaalsContact O-N 3.17Å; D259-K262 IonicContact OD1-NZ 2.79Å; D259-K262 PolarHBondContact OD1-NZ 3.33Å; W260-K262 PolarHBondContact O-N 3.3Å; K262-R265 PolarHBondContact O-N 3.25Å; K262-T266 WeakPolarHBondContact O-CG2 3.12Å; K262-T266 PolarHBondContact O-N 3.45Å; K262-T266 PolarHBondContact O-OG1 3.18Å
263Q86.1Confident85.4Confident111 Ų11169 Ų6952%0.51934%0.34SS..Hα-helixtrans-58.5-51.7177.8-67.5172.111.700110.9D259 W260 R265 T266 N267D259-Q263 WeakPolarHBondContact O-CG 3.4Å; D259-Q263 PolarHBondContact O-N 2.8Å; D259-Q263 VanDerWaalsContact O-N 3.09Å; W260-Q263 PolarHBondContact O-N 2.79Å; Q263-R265 PolarHBondContact O-N 3.43Å; Q263-T266 PolarHBondContact O-N 3.22Å; Q263-T266 VanDerWaalsContact O-N 3.11Å; Q263-T266 PolarHBondContact O-OG1 2.97Å; Q263-N267 VanDerWaalsContact O-CG 3.25Å; Q263-N267 PolarHBondContact O-N 3.4Å; Q263-N267 PolarHBondContact O-OD1 3.36Å
264W86.4Confident85.5Confident53 Ų5369 Ų6920%0.20135%0.348CS..Hα-helixtrans-60.3-45.2177.5-79.9100.8000113.1W260 T266 N267 I268 L276 D279 L280W260-W264 AromaticContact CE3-CD1 3.88Å; W260-W264 VanDerWaalsContact O-CD1 3.26Å; W260-W264 PolarHBondContact O-N 2.96Å; W264-T266 VanDerWaalsContact C-N 3.29Å; W264-T266 PolarHBondContact O-N 3.34Å; W264-N267 PolarHBondContact O-N 3.26Å; W264-I268 PolarHBondContact O-N 2.64Å; W264-L276 HydrophobicContact CZ3-CB 4.38Å; W264-L276 HydrophobicContact CZ3-CD2 4.2Å; W264-L276 WeakPolarHBondContact CZ3-O 3.47Å; W264-D279 HydrophobicContact CH2-CB 3.63Å; W264-D279 HydrophobicContact CZ3-CB 4.1Å; W264-L280 HydrophobicContact CB-CD1 3.78Å; W264-L280 HydrophobicContact CB-CD2 4.41Å; W264-L280 HydrophobicContact CD2-CB 4.16Å; W264-L280 HydrophobicContact CD2-CD1 4.18Å; W264-L280 HydrophobicContact CE3-CB 3.86Å; W264-L280 HydrophobicContact CG-CD1 3.79Å; W264-L280 HydrophobicContact CZ3-CB 4.29Å
265R85.9Confident85.6Confident50 Ų5070.1 Ų70.119%0.18936%0.361CS..Hα-helixtrans-55.2-42.4172.4-82.3180-70.9-175.7-4.4112.3E255 P261 K262 Q263 K269 S436 F437E255-R265 IonicContact OE1-CZ 2.68Å; E255-R265 IonicContact OE1-NE 2.77Å; E255-R265 IonicContact OE1-NH1 2.8Å; E255-R265 IonicContact OE1-NH2 3.55Å; E255-R265 PolarHBondContact OE1-NH2 2.97Å; E255-R265 IonicContact OE2-CZ 3.46Å; E255-R265 VanDerWaalsContact OE2-CZ 3.3Å; E255-R265 IonicContact OE2-NH1 2.77Å; E255-R265 PolarHBondContact OE2-NH1 3.47Å; E255-R265 VanDerWaalsContact OE2-NH1 3.09Å; E255-R265 IonicContact OE2-NH2 3.12Å; E255-R265 PolarHBondContact OE2-NH2 2.93Å; P261-R265 WeakPolarHBondContact O-CB 3.34Å; P261-R265 WeakPolarHBondContact O-CG 3.47Å; P261-R265 PolarHBondContact O-N 3.47Å; P261-R265 VanDerWaalsContact O-N 3.15Å; P261-R265 PolarHBondContact O-NE 3.49Å; K262-R265 PolarHBondContact O-N 3.25Å; Q263-R265 PolarHBondContact O-N 3.43Å; R265-K269 VanDerWaalsContact O-CB 3.27Å; R265-K269 WeakPolarHBondContact O-CB 3.32Å; R265-K269 WeakPolarHBondContact O-CD 3.18Å; R265-K269 VanDerWaalsContact O-CG 3.26Å; R265-K269 WeakPolarHBondContact O-CG 3.4Å; R265-K269 PolarHBondContact O-N 2.79Å; R265-K269 VanDerWaalsContact O-N 3.15Å; R265-S436 PolarHBondContact NH1-O 3.07Å; R265-F437 HydrophobicContact CG-CD1 3.98Å
266T87.1Confident85.8Confident70 Ų7071.6 Ų71.643%0.42937%0.369SS..Hα-helixtrans-72.5-27.117762.80000113.9K262 Q263 W264 K270K262-T266 WeakPolarHBondContact O-CG2 3.12Å; K262-T266 PolarHBondContact O-N 3.45Å; K262-T266 PolarHBondContact O-OG1 3.18Å; Q263-T266 PolarHBondContact O-N 3.22Å; Q263-T266 VanDerWaalsContact O-N 3.11Å; Q263-T266 PolarHBondContact O-OG1 2.97Å; W264-T266 VanDerWaalsContact C-N 3.29Å; W264-T266 PolarHBondContact O-N 3.34Å; T266-K270 VanDerWaalsContact O-CD 3.32Å; T266-K270 WeakPolarHBondContact O-CD 3.26Å; T266-K270 WeakPolarHBondContact O-CG 3.47Å; T266-K270 PolarHBondContact O-N 3.39Å
267N85.9Confident86Confident72 Ų7267.2 Ų67.239%0.38535%0.346SS..Hα-helixtrans-76.1-48.1178.5-69.8-13.5000111Q263 W264 K269 K270 N271Q263-N267 VanDerWaalsContact O-CG 3.25Å; Q263-N267 PolarHBondContact O-N 3.4Å; Q263-N267 PolarHBondContact O-OD1 3.36Å; W264-N267 PolarHBondContact O-N 3.26Å; N267-K269 VanDerWaalsContact C-N 3.32Å; N267-K269 PolarHBondContact O-N 2.92Å; N267-K270 PolarHBondContact O-N 3.28Å; N267-N271 PolarHBondContact O-N 2.96Å
268I86.4Confident86.2Confident3 Ų366 Ų662%0.01534%0.339CS..Hα-helixtrans-63.4-38.3176.9-64.4167.6000110.8W264 K270 N271 P272 L276 V277 L280 C439 L440W264-I268 PolarHBondContact O-N 2.64Å; I268-K270 PolarHBondContact O-N 3.16Å; I268-N271 CarbonylContact O-C 3.44Å; I268-N271 VanDerWaalsContact O-C 3.26Å; I268-N271 PolarHBondContact O-N 2.99Å; I268-P272 WeakPolarHBondContact O-CA 3.44Å; I268-L276 HydrophobicContact CG1-CB 4.47Å; I268-V277 HydrophobicContact CD1-CG2 4.23Å; I268-V277 HydrophobicContact CG2-CG2 4.37Å; I268-L280 HydrophobicContact CD1-CB 4.28Å; I268-L280 HydrophobicContact CD1-CD2 3.42Å; I268-L280 VanDerWaalsContact CD1-CD2 3.42Å; I268-L280 HydrophobicContact CD1-CG 4.47Å; I268-C439 HydrophobicContact CB-CB 4.43Å; I268-C439 HydrophobicContact CG2-CB 4Å; I268-L440 HydrophobicContact CD1-CD2 4.38Å
269K85.1Confident86.4Confident121 Ų12166.8 Ų66.853%0.52635%0.346SS..THydrogen-bonded Turntrans-66.2-19.8174.2-78171.3168162.70114.4R265 N267 D438 C439R265-K269 VanDerWaalsContact O-CB 3.27Å; R265-K269 WeakPolarHBondContact O-CB 3.32Å; R265-K269 WeakPolarHBondContact O-CD 3.18Å; R265-K269 VanDerWaalsContact O-CG 3.26Å; R265-K269 WeakPolarHBondContact O-CG 3.4Å; R265-K269 PolarHBondContact O-N 2.79Å; R265-K269 VanDerWaalsContact O-N 3.15Å; N267-K269 VanDerWaalsContact C-N 3.32Å; N267-K269 PolarHBondContact O-N 2.92Å; K269-D438 IonicContact NZ-OD1 3.2Å; K269-D438 PolarHBondContact NZ-OD1 3.44Å; K269-D438 IonicContact NZ-OD2 2.78Å; K269-D438 PolarHBondContact NZ-OD2 3.43Å; K269-C439 HydrophobicContact CG-CB 4.07Å
270K86.3Confident86.6Confident147 Ų14762 Ų6264%0.63932%0.32SS*.THydrogen-bonded Turntrans-91.3-43.2174-72.3166.9-173.2170.40111.7T266 N267 I268T266-K270 VanDerWaalsContact O-CD 3.32Å; T266-K270 WeakPolarHBondContact O-CD 3.26Å; T266-K270 WeakPolarHBondContact O-CG 3.47Å; T266-K270 PolarHBondContact O-N 3.39Å; N267-K270 PolarHBondContact O-N 3.28Å; I268-K270 PolarHBondContact O-N 3.16Å
271N84Confident86.6Confident107 Ų10761.1 Ų61.157%0.57232%0.317SS*.SBendtrans-129.289.7-176.7-61.4-40.2000108.7N267 I268 D273 L276N267-N271 PolarHBondContact O-N 2.96Å; I268-N271 CarbonylContact O-C 3.44Å; I268-N271 VanDerWaalsContact O-C 3.26Å; I268-N271 PolarHBondContact O-N 2.99Å; N271-D273 PolarHBondContact O-N 3.49Å; N271-D273 VanDerWaalsContact O-N 3.1Å; N271-L276 HydrophobicContact CB-CD1 4.19Å
272P84.3Confident86.7Confident90 Ų9062.7 Ų62.758%0.58433%0.328SS*.  trans-74.897.6176.629.5-33.3000109.9I268 Y445I268-P272 WeakPolarHBondContact O-CA 3.44Å; P272-Y445 WeakPolarHBondContact CA-OH 3.46Å; P272-Y445 HydrophobicContact CB-CE2 4.47Å; P272-Y445 VanDerWaalsContact CB-OH 3.31Å; P272-Y445 WeakPolarHBondContact CB-OH 3.46Å; P272-Y445 PolarHBondContact O-OH 3.02Å
273D87.4Confident86.8Confident76 Ų7664.3 Ų64.341%0.40633%0.333SS..  trans-129.2140.9176.2-175.610.4000110.3N271 S275 L276 V277 Y445N271-D273 PolarHBondContact O-N 3.49Å; N271-D273 VanDerWaalsContact O-N 3.1Å; D273-S275 VanDerWaalsContact C-N 3.29Å; D273-S275 VanDerWaalsContact CG-OG 3.3Å; D273-S275 PolarHBondContact O-N 2.91Å; D273-S275 PolarHBondContact OD1-N 3.06Å; D273-S275 PolarHBondContact OD2-OG 3.31Å; D273-L276 HydrophobicContact CB-CD1 4.18Å; D273-L276 HydrophobicContact CB-CG 4.27Å; D273-L276 PolarHBondContact O-N 3.36Å; D273-V277 PolarHBondContact O-N 3.4Å; D273-Y445 PolarHBondContact N-OH 2.93Å
274A87.6Confident86.9Confident46 Ų4659.5 Ų59.538%0.3831%0.311SS..Hα-helixtrans-64.2-33.417700000112V277 L278 L448A274-V277 PolarHBondContact O-N 3.34Å; A274-L278 PolarHBondContact O-N 3.45Å; A274-L448 HydrophobicContact CB-CD2 4.04Å
275S88.8Confident86.9Confident55 Ų5559.1 Ų59.139%0.38531%0.312SS..Hα-helixtrans-60.7-46.7176.676.30000111.7D273 V277 L278 D279D273-S275 VanDerWaalsContact C-N 3.29Å; D273-S275 VanDerWaalsContact CG-OG 3.3Å; D273-S275 PolarHBondContact O-N 2.91Å; D273-S275 PolarHBondContact OD1-N 3.06Å; D273-S275 PolarHBondContact OD2-OG 3.31Å; S275-V277 VanDerWaalsContact C-N 3.27Å; S275-V277 PolarHBondContact O-N 2.87Å; S275-L278 WeakPolarHBondContact O-CB 3.44Å; S275-L278 PolarHBondContact O-N 3.05Å; S275-D279 PolarHBondContact O-N 3.29Å
276L87.6Confident86.8Confident45 Ų4565.8 Ų65.824%0.23634%0.337CS..Hα-helixtrans-65.4-28.7177.7-66.4175.4000113W264 I268 N271 D273 L280W264-L276 HydrophobicContact CZ3-CB 4.38Å; W264-L276 HydrophobicContact CZ3-CD2 4.2Å; W264-L276 WeakPolarHBondContact CZ3-O 3.47Å; I268-L276 HydrophobicContact CG1-CB 4.47Å; N271-L276 HydrophobicContact CB-CD1 4.19Å; D273-L276 HydrophobicContact CB-CD1 4.18Å; D273-L276 HydrophobicContact CB-CG 4.27Å; D273-L276 PolarHBondContact O-N 3.36Å; L276-L280 WeakPolarHBondContact O-CB 3.42Å; L276-L280 PolarHBondContact O-N 3.14Å
277V86.6Confident86.6Confident0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-72.7-43.6173.9172.80000110.8I268 D273 A274 S275 D279 L280 L281 L440 Y445 L448I268-V277 HydrophobicContact CD1-CG2 4.23Å; I268-V277 HydrophobicContact CG2-CG2 4.37Å; D273-V277 PolarHBondContact O-N 3.4Å; A274-V277 PolarHBondContact O-N 3.34Å; S275-V277 VanDerWaalsContact C-N 3.27Å; S275-V277 PolarHBondContact O-N 2.87Å; V277-D279 VanDerWaalsContact C-N 3.35Å; V277-D279 PolarHBondContact O-N 3.42Å; V277-L280 PolarHBondContact O-N 2.89Å; V277-L281 HydrophobicContact CG1-CD1 3.71Å; V277-L281 HydrophobicContact CG1-CG 4.4Å; V277-L281 WeakPolarHBondContact O-CB 3.33Å; V277-L281 WeakPolarHBondContact O-CD1 3.26Å; V277-L281 VanDerWaalsContact O-CG 3.26Å; V277-L281 WeakPolarHBondContact O-CG 3.48Å; V277-L281 PolarHBondContact O-N 3.34Å; V277-L440 HydrophobicContact CB-CD2 4.29Å; V277-L440 HydrophobicContact CG1-CD2 3.64Å; V277-L440 HydrophobicContact CG2-CD2 3.74Å; V277-Y445 HydrophobicContact CG2-CD1 3.95Å; V277-Y445 HydrophobicContact CG2-CD2 4.21Å; V277-Y445 HydrophobicContact CG2-CE1 4.02Å; V277-Y445 HydrophobicContact CG2-CE2 4.28Å; V277-Y445 HydrophobicContact CG2-CG 4.07Å; V277-L448 HydrophobicContact CB-CD2 3.85Å; V277-L448 HydrophobicContact CG1-CD2 3.66Å; V277-L448 HydrophobicContact CG1-CG 4.28Å
278L87.8Confident86.4Confident78 Ų7862.4 Ų62.441%0.40832%0.318SS..Hα-helixtrans-60.1-43.2172-73.2174.4000111.8A274 S275 L281 S282 L448 C452A274-L278 PolarHBondContact O-N 3.45Å; S275-L278 WeakPolarHBondContact O-CB 3.44Å; S275-L278 PolarHBondContact O-N 3.05Å; L278-L281 PolarHBondContact O-N 3.37Å; L278-S282 VanDerWaalsContact O-CB 3.27Å; L278-S282 WeakPolarHBondContact O-CB 3.45Å; L278-S282 PolarHBondContact O-N 2.91Å; L278-S282 PolarHBondContact O-OG 3.35Å; L278-L448 HydrophobicContact CD1-CD1 4.33Å; L278-L448 HydrophobicContact CD2-CD1 3.52Å; L278-L448 HydrophobicContact CD2-CD2 4.44Å; L278-L448 HydrophobicContact CD2-CG 3.9Å; L278-L448 HydrophobicContact CG-CD1 3.9Å; L278-L448 HydrophobicContact CG-CD2 4.19Å; L278-L448 HydrophobicContact CG-CG 4.2Å; L278-C452 VanDerWaalsContact CD2-SG 3.5Å
279D87.6Confident86.5Confident83 Ų8362.3 Ų62.344%0.44432%0.317SS..Hα-helixtrans-62-45.9177-75.3-25.1000111.7W264 S275 V277 S282 Y283W264-D279 HydrophobicContact CH2-CB 3.63Å; W264-D279 HydrophobicContact CZ3-CB 4.1Å; S275-D279 PolarHBondContact O-N 3.29Å; V277-D279 VanDerWaalsContact C-N 3.35Å; V277-D279 PolarHBondContact O-N 3.42Å; D279-S282 PolarHBondContact O-N 2.98Å; D279-S282 PolarHBondContact O-OG 3.12Å; D279-S282 VanDerWaalsContact O-OG 3.11Å; D279-Y283 WeakPolarHBondContact O-CB 3.32Å; D279-Y283 PolarHBondContact O-N 3.14Å
280L89.3Confident86.7Confident1 Ų157.3 Ų57.31%0.00530%0.297CS..Hα-helixtrans-57.2-50.8173.8168.260000111.7W260 W264 I268 L276 V277 Y283 L284 F437 L440W260-L280 HydrophobicContact CE3-CD1 4.36Å; W260-L280 HydrophobicContact CZ3-CD1 3.75Å; W264-L280 HydrophobicContact CB-CD1 3.78Å; W264-L280 HydrophobicContact CB-CD2 4.41Å; W264-L280 HydrophobicContact CD2-CB 4.16Å; W264-L280 HydrophobicContact CD2-CD1 4.18Å; W264-L280 HydrophobicContact CE3-CB 3.86Å; W264-L280 HydrophobicContact CG-CD1 3.79Å; W264-L280 HydrophobicContact CZ3-CB 4.29Å; I268-L280 HydrophobicContact CD1-CB 4.28Å; I268-L280 HydrophobicContact CD1-CD2 3.42Å; I268-L280 VanDerWaalsContact CD1-CD2 3.42Å; I268-L280 HydrophobicContact CD1-CG 4.47Å; L276-L280 WeakPolarHBondContact O-CB 3.42Å; L276-L280 PolarHBondContact O-N 3.14Å; V277-L280 PolarHBondContact O-N 2.89Å; L280-Y283 PolarHBondContact O-N 3.45Å; L280-L284 WeakPolarHBondContact O-CB 3.24Å; L280-L284 PolarHBondContact O-N 3.33Å; L280-F437 HydrophobicContact CD1-CD1 4.41Å; L280-F437 HydrophobicContact CD1-CE1 3.92Å; L280-F437 HydrophobicContact CD1-CZ 4.37Å; L280-F437 HydrophobicContact CD2-CD1 3.84Å; L280-F437 HydrophobicContact CD2-CE1 4.2Å; L280-F437 HydrophobicContact CD2-CG 4.37Å; L280-L440 HydrophobicContact CD2-CD1 4.36Å; L280-L440 HydrophobicContact CD2-CD2 4.47Å
281L87.7Confident86.9Confident4 Ų450.7 Ų50.72%0.02127%0.269CS..Hα-helixtrans-65.1-41.6-177.6-70.1163.7000111V277 L278 Y283 L284 L285 L440 C452V277-L281 HydrophobicContact CG1-CD1 3.71Å; V277-L281 HydrophobicContact CG1-CG 4.4Å; V277-L281 WeakPolarHBondContact O-CB 3.33Å; V277-L281 WeakPolarHBondContact O-CD1 3.26Å; V277-L281 VanDerWaalsContact O-CG 3.26Å; V277-L281 WeakPolarHBondContact O-CG 3.48Å; V277-L281 PolarHBondContact O-N 3.34Å; L278-L281 PolarHBondContact O-N 3.37Å; L281-Y283 VanDerWaalsContact C-N 3.32Å; L281-Y283 PolarHBondContact O-N 3.26Å; L281-L284 WeakPolarHBondContact O-CB 3.24Å; L281-L284 PolarHBondContact O-N 2.94Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 3.48Å; L281-L440 HydrophobicContact CD2-CD1 4.27Å; L281-C452 HydrophobicContact CB-CB 4.03Å; L281-C452 HydrophobicContact CD1-CB 4Å; L281-C452 HydrophobicContact CG-CB 4.49Å
282S87.8Confident87.2Confident34 Ų3445.9 Ų45.924%0.23824%0.243CC..Hα-helixtrans-68.1-30.9176.185.10000112.6L278 D279 R286L278-S282 VanDerWaalsContact O-CB 3.27Å; L278-S282 WeakPolarHBondContact O-CB 3.45Å; L278-S282 PolarHBondContact O-N 2.91Å; L278-S282 PolarHBondContact O-OG 3.35Å; D279-S282 PolarHBondContact O-N 2.98Å; D279-S282 PolarHBondContact O-OG 3.12Å; D279-S282 VanDerWaalsContact O-OG 3.11Å; S282-R286 VanDerWaalsContact O-CG 3.27Å; S282-R286 WeakPolarHBondContact O-CG 3.47Å; S282-R286 PolarHBondContact O-N 3.17Å; S282-R286 PolarHBondContact O-NH1 3.02Å; S282-R286 PolarHBondContact OG-NH1 3.38Å
283Y87.8Confident87.5Confident105 Ų10546.8 Ų46.841%0.41224%0.24SC..Hα-helixtrans-70.4-45.5171.5-176.3-90.7000111.1W260 D279 L280 L281 L285 R286 S287W260-Y283 HydrophobicContact CB-CE1 4.39Å; W260-Y283 AromaticContact CD1-CE1 3.94Å; W260-Y283 AromaticContact CD2-CD1 3.96Å; W260-Y283 HydrophobicContact CD2-CD1 3.96Å; W260-Y283 AromaticContact CD2-CE1 3.47Å; W260-Y283 HydrophobicContact CD2-CE1 3.47Å; W260-Y283 VanDerWaalsContact CD2-CE1 3.47Å; W260-Y283 AromaticContact CE2-CE1 3.66Å; W260-Y283 AromaticContact CE3-CD1 3.82Å; W260-Y283 HydrophobicContact CE3-CD1 3.82Å; W260-Y283 AromaticContact CE3-CE1 3.84Å; W260-Y283 HydrophobicContact CE3-CE1 3.84Å; W260-Y283 AromaticContact CG-CE1 3.72Å; W260-Y283 HydrophobicContact CG-CE1 3.72Å; W260-Y283 HydrophobicContact CH2-CD1 4.29Å; W260-Y283 HydrophobicContact CZ2-CD1 4.39Å; W260-Y283 HydrophobicContact CZ2-CE1 4.18Å; W260-Y283 HydrophobicContact CZ3-CD1 4Å; W260-Y283 HydrophobicContact CZ3-CE1 4.35Å; W260-Y283 AromaticContact NE1-CE1 3.93Å; D279-Y283 WeakPolarHBondContact O-CB 3.32Å; D279-Y283 PolarHBondContact O-N 3.14Å; L280-Y283 PolarHBondContact O-N 3.45Å; L281-Y283 VanDerWaalsContact C-N 3.32Å; L281-Y283 PolarHBondContact O-N 3.26Å; Y283-L285 PolarHBondContact O-N 3.48Å; Y283-R286 PolarHBondContact O-N 2.89Å; Y283-R286 VanDerWaalsContact O-N 3.17Å; Y283-S287 WeakPolarHBondContact O-CB 3.48Å; Y283-S287 PolarHBondContact O-N 3.17Å; Y283-S287 VanDerWaalsContact O-N 3.12Å
284L87.9Confident87.7Confident9 Ų943.4 Ų43.45%0.04722%0.222CC..Hα-helixtrans-55.2-50.4176.7-177.2160.6000110.7W260 L280 L281 R286 S287 L291 V292 F437W260-L284 HydrophobicContact CH2-CB 4.22Å; W260-L284 HydrophobicContact CH2-CG 4.35Å; L280-L284 WeakPolarHBondContact O-CB 3.24Å; L280-L284 PolarHBondContact O-N 3.33Å; L281-L284 WeakPolarHBondContact O-CB 3.24Å; L281-L284 PolarHBondContact O-N 2.94Å; L284-R286 VanDerWaalsContact C-N 3.25Å; L284-R286 PolarHBondContact O-N 3.17Å; L284-S287 PolarHBondContact O-N 2.82Å; L284-S287 PolarHBondContact O-OG 2.93Å; L284-L291 HydrophobicContact CD1-CD1 4.22Å; L284-L291 HydrophobicContact CD2-CB 4.38Å; L284-V292 HydrophobicContact CD2-CG2 4.11Å; L284-V292 WeakPolarHBondContact O-CG2 3.45Å; L284-F437 HydrophobicContact CD1-CD2 4.15Å; L284-F437 HydrophobicContact CD1-CE2 3.45Å; L284-F437 VanDerWaalsContact CD1-CE2 3.45Å; L284-F437 HydrophobicContact CD1-CZ 4.02Å
285L85.8Confident88Confident45 Ų4541.9 Ų41.924%0.23621%0.207CC..Hα-helixtrans-65-23.6-179.4-69.9167.1000114.1L281 Y283 L295 C452 A456L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 3.48Å; Y283-L285 PolarHBondContact O-N 3.48Å; L285-L295 HydrophobicContact CD2-CD1 4.07Å; L285-C452 HydrophobicContact CD1-CB 4.38Å; L285-A456 HydrophobicContact CD1-CB 3.94Å; L285-A456 HydrophobicContact CD2-CB 3.7Å; L285-A456 HydrophobicContact CG-CB 4.39Å
286R83.6Confident88.2Confident190 Ų19042 Ų4272%0.71720%0.199SC*.Hα-helixtrans-89.8-8.6173.9-67.4179.5-163.4105.8-6.5113.7S282 Y283 L284S282-R286 VanDerWaalsContact O-CG 3.27Å; S282-R286 WeakPolarHBondContact O-CG 3.47Å; S282-R286 PolarHBondContact O-N 3.17Å; S282-R286 PolarHBondContact O-NH1 3.02Å; S282-R286 PolarHBondContact OG-NH1 3.38Å; Y283-R286 PolarHBondContact O-N 2.89Å; Y283-R286 VanDerWaalsContact O-N 3.17Å; L284-R286 VanDerWaalsContact C-N 3.25Å; L284-R286 PolarHBondContact O-N 3.17Å
287S83.9Confident88.4Confident12 Ų1244.3 Ų44.38%0.08421%0.207CC..THydrogen-bonded Turntrans-96.3160.4-175.773.30000112.8Y283 L284 H289Y283-S287 WeakPolarHBondContact O-CB 3.48Å; Y283-S287 PolarHBondContact O-N 3.17Å; Y283-S287 VanDerWaalsContact O-N 3.12Å; L284-S287 PolarHBondContact O-N 2.82Å; L284-S287 PolarHBondContact O-OG 2.93Å; S287-H289 PolarHBondContact O-N 3.43Å; S287-H289 WeakPolarHBondContact OG-CB 3.4Å
288D82.6Confident88.7Confident60 Ų6044.9 Ų44.932%0.32121%0.21SC..THydrogen-bonded Turntrans-74.436.2172.3-60.6-42.3000112.6S147 C150 Y254S147-D288 WeakPolarHBondContact CB-OD1 3.17Å; C150-D288 WeakPolarHBondContact CB-OD2 3.33Å; Y254-D288 WeakPolarHBondContact CE2-O 3.31Å
289H87.9Confident89.1Confident0 Ų041.5 Ų41.50%019%0.192CC..  trans-72.8143.7-179.1-169.5-99.5000110.8Y254 W260 S287 L291 V292 E293Y254-H289 AromaticContact CD1-CD2 3.46Å; Y254-H289 VanDerWaalsContact CD1-CD2 3.46Å; Y254-H289 WeakPolarHBondContact CD1-CD2 3.46Å; Y254-H289 HydrophobicContact CE1-CB 4.48Å; Y254-H289 AromaticContact CE1-CD2 3.52Å; W260-H289 AromaticContact CZ2-CD2 3.93Å; S287-H289 PolarHBondContact O-N 3.43Å; S287-H289 WeakPolarHBondContact OG-CB 3.4Å; H289-L291 VanDerWaalsContact CE1-CD1 3.49Å; H289-L291 WeakPolarHBondContact CE1-CD1 3.35Å; H289-L291 WeakPolarHBondContact ND1-CB 3.11Å; H289-L291 WeakPolarHBondContact ND1-CG 3.47Å; H289-L291 PolarHBondContact ND1-N 2.9Å; H289-L291 PolarHBondContact O-N 3.26Å; H289-V292 HydrophobicContact CB-CG2 4.44Å; H289-V292 WeakPolarHBondContact O-CA 3.49Å; H289-V292 WeakPolarHBondContact O-CB 3.28Å; H289-V292 PolarHBondContact O-N 3.23Å; H289-E293 PolarHBondContact O-N 2.89Å
290P88.7Confident89.4Confident17 Ų1739.9 Ų39.911%0.1118%0.181CC..Hα-helixtrans-58.5-22-178.6-27.635.9000115.1R250 V251 Y254 L294R250-P290 HydrophobicContact CB-CB 4.39Å; R250-P290 HydrophobicContact CB-CG 4.48Å; V251-P290 HydrophobicContact CG2-CB 4.02Å; V251-P290 HydrophobicContact CG2-CG 4.39Å; Y254-P290 HydrophobicContact CD2-CG 4.33Å; Y254-P290 HydrophobicContact CG-CG 4.22Å; P290-L294 WeakPolarHBondContact O-CB 3.2Å; P290-L294 PolarHBondContact O-N 3.44Å
291L90.7Very high89.6Confident8 Ų846.6 Ų46.64%0.04221%0.206CC..Hα-helixtrans-68.2-33.2171.3-65.1172.3000112.7V251 L284 H289 L294 L295 L429 L432 C433V251-L291 HydrophobicContact CG2-CG 4.41Å; L284-L291 HydrophobicContact CD1-CD1 4.22Å; L284-L291 HydrophobicContact CD2-CB 4.38Å; H289-L291 VanDerWaalsContact CE1-CD1 3.49Å; H289-L291 WeakPolarHBondContact CE1-CD1 3.35Å; H289-L291 WeakPolarHBondContact ND1-CB 3.11Å; H289-L291 WeakPolarHBondContact ND1-CG 3.47Å; H289-L291 PolarHBondContact ND1-N 2.9Å; H289-L291 PolarHBondContact O-N 3.26Å; L291-L294 PolarHBondContact O-N 2.83Å; L291-L295 WeakPolarHBondContact O-CB 3.32Å; L291-L295 PolarHBondContact O-N 3.49Å; L291-L429 WeakPolarHBondContact O-CD2 3.22Å; L291-L432 HydrophobicContact CD2-CB 3.51Å; L291-L432 HydrophobicContact CD2-CD1 4.41Å; L291-C433 HydrophobicContact CD1-CB 4.23Å
292V90.8Very high90Very high6 Ų646.6 Ų46.64%0.03621%0.206CC..Hα-helixtrans-75.6-38.7176.3-176.60000110.5L284 H289 L294 L295 R296L284-V292 HydrophobicContact CD2-CG2 4.11Å; L284-V292 WeakPolarHBondContact O-CG2 3.45Å; H289-V292 HydrophobicContact CB-CG2 4.44Å; H289-V292 WeakPolarHBondContact O-CA 3.49Å; H289-V292 WeakPolarHBondContact O-CB 3.28Å; H289-V292 PolarHBondContact O-N 3.23Å; V292-L294 VanDerWaalsContact C-N 3.28Å; V292-L294 PolarHBondContact O-N 2.91Å; V292-L295 PolarHBondContact O-N 3.29Å; V292-R296 WeakPolarHBondContact O-CG 3.13Å; V292-R296 PolarHBondContact O-N 3.01Å
293E89.8Confident90.3Very high109 Ų10945.1 Ų45.151%0.50920%0.195SC..Hα-helixtrans-58.3-42.5169.2-63.6-168.9154.200111.4H289 K297H289-E293 PolarHBondContact O-N 2.89Å; E293-K297 WeakPolarHBondContact O-CB 3.4Å; E293-K297 PolarHBondContact O-N 3.36Å
294L91.5Very high90.5Very high5 Ų544.1 Ų44.13%0.02620%0.197CC..Hα-helixtrans-64.6-47176.5-175.561.1000111.5L247 P290 L291 V292 R296 K297 H298 L429 L432L247-L294 HydrophobicContact CD1-CD1 3.83Å; L247-L294 HydrophobicContact CD1-CD2 3.82Å; L247-L294 HydrophobicContact CD1-CG 4.49Å; L247-L294 HydrophobicContact CD2-CD1 3.95Å; L247-L294 HydrophobicContact CD2-CD2 4.36Å; P290-L294 WeakPolarHBondContact O-CB 3.2Å; P290-L294 PolarHBondContact O-N 3.44Å; L291-L294 PolarHBondContact O-N 2.83Å; V292-L294 VanDerWaalsContact C-N 3.28Å; V292-L294 PolarHBondContact O-N 2.91Å; L294-R296 VanDerWaalsContact C-N 3.35Å; L294-R296 PolarHBondContact O-N 3.01Å; L294-K297 HydrophobicContact CD1-CD 4.24Å; L294-K297 WeakPolarHBondContact O-CA 3.43Å; L294-K297 WeakPolarHBondContact O-CB 3.45Å; L294-K297 PolarHBondContact O-N 2.73Å; L294-K297 VanDerWaalsContact O-N 3.09Å; L294-H298 VanDerWaalsContact CD1-NE2 3.3Å; L294-H298 WeakPolarHBondContact CD1-NE2 3.46Å; L294-H298 PolarHBondContact O-CD2 2.9Å; L294-H298 PolarHBondContact O-N 3.48Å; L294-L429 HydrophobicContact CB-CD2 4.14Å; L294-L429 HydrophobicContact CD2-CD2 4Å; L294-L429 HydrophobicContact CG-CD2 3.97Å; L294-L432 HydrophobicContact CD2-CD1 3.52Å
295L93.7Very high90.7Very high13 Ų1346.2 Ų46.27%0.06821%0.207CC..Hα-helixtrans-55.5-48.5176.3179.5150.5000111.1L285 L291 V292 K297 H298 Q299 L429 A456 F457L285-L295 HydrophobicContact CD2-CD1 4.07Å; L291-L295 WeakPolarHBondContact O-CB 3.32Å; L291-L295 PolarHBondContact O-N 3.49Å; V292-L295 PolarHBondContact O-N 3.29Å; L295-K297 PolarHBondContact O-N 3.26Å; L295-H298 PolarHBondContact O-N 3.38Å; L295-Q299 VanDerWaalsContact CD2-CD 3.5Å; L295-Q299 HydrophobicContact CD2-CG 4.34Å; L295-Q299 WeakPolarHBondContact O-CG 3.39Å; L295-Q299 PolarHBondContact O-N 3.38Å; L295-L429 HydrophobicContact CB-CD1 4.04Å; L295-L429 HydrophobicContact CB-CD2 3.92Å; L295-L429 HydrophobicContact CD1-CD1 4.28Å; L295-L429 HydrophobicContact CG-CD1 4.19Å; L295-A456 HydrophobicContact CD1-CB 4.02Å; L295-F457 HydrophobicContact CG-CD2 4.38Å
296R92.6Very high91Very high59 Ų5944 Ų4422%0.22320%0.195CC..Hα-helixtrans-62.2-39.4175.5-67.2175.9-164.5173.412.5112.3Q143 S147 V292 L294 Q299 F300Q143-R296 PolarHBondContact O-NH1 3.48Å; S147-R296 PolarHBondContact OG-NH1 3.35Å; V292-R296 WeakPolarHBondContact O-CG 3.13Å; V292-R296 PolarHBondContact O-N 3.01Å; L294-R296 VanDerWaalsContact C-N 3.35Å; L294-R296 PolarHBondContact O-N 3.01Å; R296-Q299 PolarHBondContact O-N 2.85Å; R296-F300 WeakPolarHBondContact O-CB 3.29Å; R296-F300 PolarHBondContact O-N 3.06Å
297K92.4Very high91.4Very high93 Ų9337.4 Ų37.440%0.40417%0.171SC..Hα-helixtrans-60.8-43.7174.4176.4-165.8167.4-151.20111.9E243 E293 L294 L295 R301E243-K297 IonicContact OE1-NZ 3.95Å; E243-K297 PolarHBondContact OE1-NZ 2.9Å; E293-K297 WeakPolarHBondContact O-CB 3.4Å; E293-K297 PolarHBondContact O-N 3.36Å; L294-K297 HydrophobicContact CD1-CD 4.24Å; L294-K297 WeakPolarHBondContact O-CA 3.43Å; L294-K297 WeakPolarHBondContact O-CB 3.45Å; L294-K297 PolarHBondContact O-N 2.73Å; L294-K297 VanDerWaalsContact O-N 3.09Å; L295-K297 PolarHBondContact O-N 3.26Å; K297-R301 WeakPolarHBondContact O-CB 3.49Å; K297-R301 PolarHBondContact O-N 2.79Å; K297-R301 VanDerWaalsContact O-N 3.08Å
298H94.2Very high91.6Very high12 Ų1239.6 Ų39.66%0.05619%0.185CC..Hα-helixtrans-67.4-45.1175.8-72.2-79.7000111.9L294 L295 F300 R301 I302 A425 Q428 F457L294-H298 VanDerWaalsContact CD1-NE2 3.3Å; L294-H298 WeakPolarHBondContact CD1-NE2 3.46Å; L294-H298 PolarHBondContact O-CD2 2.9Å; L294-H298 PolarHBondContact O-N 3.48Å; L295-H298 PolarHBondContact O-N 3.38Å; H298-F300 VanDerWaalsContact C-N 3.35Å; H298-F300 PolarHBondContact O-N 3Å; H298-R301 WeakPolarHBondContact O-CB 3.46Å; H298-R301 PolarHBondContact O-N 2.98Å; H298-R301 VanDerWaalsContact O-N 3.1Å; H298-I302 PolarHBondContact O-N 3.41Å; H298-A425 HydrophobicContact CB-CB 3.8Å; H298-A425 VanDerWaalsContact ND1-CB 3.34Å; H298-A425 WeakPolarHBondContact ND1-CB 3.29Å; H298-Q428 PolarHBondContact CE1-OE1 3.41Å; H298-Q428 PolarHBondContact NE2-OE1 3.34Å; H298-F457 HydrophobicContact CB-CE2 3.84Å; H298-F457 HydrophobicContact CB-CZ 4.39Å
299Q94.9Very high91.9Very high6 Ų637.9 Ų37.93%0.02818%0.175CC..Hα-helixtrans-56.3-48.4176-74.5176.2-25.700112F139 L295 R296 R301 I302 Y303 A456 F457 P460 L461F139-Q299 HydrophobicContact CE1-CB 4.45Å; L295-Q299 VanDerWaalsContact CD2-CD 3.5Å; L295-Q299 HydrophobicContact CD2-CG 4.34Å; L295-Q299 WeakPolarHBondContact O-CG 3.39Å; L295-Q299 PolarHBondContact O-N 3.38Å; R296-Q299 PolarHBondContact O-N 2.85Å; Q299-R301 VanDerWaalsContact C-N 3.32Å; Q299-R301 PolarHBondContact O-N 3.42Å; Q299-I302 PolarHBondContact O-N 3.41Å; Q299-Y303 WeakPolarHBondContact O-CB 3.08Å; Q299-Y303 PolarHBondContact O-N 3.41Å; Q299-A456 PolarHBondContact NE2-O 3.41Å; Q299-F457 HydrophobicContact CG-CD2 4.35Å; Q299-F457 HydrophobicContact CG-CE2 4.49Å; Q299-F457 PolarHBondContact NE2-O 2.96Å; Q299-P460 HydrophobicContact CG-CG 4.49Å; Q299-L461 HydrophobicContact CB-CD1 4.38Å; Q299-L461 HydrophobicContact CB-CD2 4.45Å; Q299-L461 HydrophobicContact CB-CG 4.48Å; Q299-L461 HydrophobicContact CG-CD1 4.01Å; Q299-L461 HydrophobicContact CG-CG 4.24Å
300F93.8Very high91.7Very high50 Ų5039 Ų3922%0.21918%0.181CC..Hα-helixtrans-60.6-40.1176178.4-97.4000112.5P136 F139 Q140 R296 H298 Y303 N304P136-F300 HydrophobicContact CB-CE2 3.83Å; P136-F300 HydrophobicContact CB-CZ 4.28Å; F139-F300 HydrophobicContact CD1-CD2 4.48Å; Q140-F300 HydrophobicContact CB-CD2 3.82Å; Q140-F300 HydrophobicContact CB-CE2 3.87Å; Q140-F300 HydrophobicContact CG-CD2 4.16Å; Q140-F300 HydrophobicContact CG-CE2 4.36Å; R296-F300 WeakPolarHBondContact O-CB 3.29Å; R296-F300 PolarHBondContact O-N 3.06Å; H298-F300 VanDerWaalsContact C-N 3.35Å; H298-F300 PolarHBondContact O-N 3Å; F300-Y303 PolarHBondContact O-N 3.43Å; F300-N304 VanDerWaalsContact O-CB 3.25Å; F300-N304 WeakPolarHBondContact O-CB 3.36Å; F300-N304 PolarHBondContact O-N 2.86Å
301R94.3Very high91.3Very high142 Ų14240.5 Ų40.554%0.53619%0.19SC..Hα-helixtrans-60.6-50.1178.2-171.2-177.6-165.4162.93.6111.7K297 H298 Q299 N304 Q305K297-R301 WeakPolarHBondContact O-CB 3.49Å; K297-R301 PolarHBondContact O-N 2.79Å; K297-R301 VanDerWaalsContact O-N 3.08Å; H298-R301 WeakPolarHBondContact O-CB 3.46Å; H298-R301 PolarHBondContact O-N 2.98Å; H298-R301 VanDerWaalsContact O-N 3.1Å; Q299-R301 VanDerWaalsContact C-N 3.32Å; Q299-R301 PolarHBondContact O-N 3.42Å; R301-N304 PolarHBondContact O-N 3.16Å; R301-Q305 WeakPolarHBondContact O-CG 3.32Å; R301-Q305 PolarHBondContact O-N 3.43Å; R301-Q305 VanDerWaalsContact O-N 3.12Å
302I95Very high90.5Very high3 Ų346 Ų462%0.01522%0.216CC..Hα-helixtrans-67-43.8179.1-70.5153.3000110.6H298 Q299 N304 Q305 L306 I418 V422 F457 L461 L465H298-I302 PolarHBondContact O-N 3.41Å; Q299-I302 PolarHBondContact O-N 3.41Å; I302-N304 VanDerWaalsContact C-N 3.29Å; I302-N304 PolarHBondContact O-N 2.83Å; I302-Q305 WeakPolarHBondContact O-CB 3.21Å; I302-Q305 PolarHBondContact O-N 2.88Å; I302-Q305 VanDerWaalsContact O-N 3.11Å; I302-L306 HydrophobicContact CG2-CD1 3.71Å; I302-L306 HydrophobicContact CG2-CG 4.37Å; I302-L306 WeakPolarHBondContact O-CG 3.25Å; I302-L306 PolarHBondContact O-N 2.93Å; I302-I418 HydrophobicContact CG2-CG2 4.24Å; I302-V422 HydrophobicContact CD1-CG2 3.73Å; I302-V422 HydrophobicContact CG1-CG2 4.33Å; I302-V422 HydrophobicContact CG2-CG2 4.31Å; I302-F457 HydrophobicContact CD1-CE1 4.03Å; I302-F457 HydrophobicContact CD1-CZ 3.48Å; I302-F457 VanDerWaalsContact CD1-CZ 3.48Å; I302-L461 HydrophobicContact CB-CD1 4.34Å; I302-L461 HydrophobicContact CD1-CD1 4.47Å; I302-L461 HydrophobicContact CG2-CD1 4.08Å; I302-L465 HydrophobicContact CG2-CD2 4.32Å
303Y94.4Very high88.5Confident3 Ų350.8 Ų50.81%0.01225%0.249CC..Hα-helixtrans-58-42175.5-169.1-95.7000112.1P134 P136 F139 Q299 F300 Q305 L306 Y307 L461 P464P134-Y303 WeakPolarHBondContact CD-OH 3.35Å; P134-Y303 WeakPolarHBondContact O-CE1 3.35Å; P134-Y303 PolarHBondContact O-OH 3.45Å; P136-Y303 HydrophobicContact CB-CD1 4.47Å; P136-Y303 HydrophobicContact CG-CD1 4.39Å; P136-Y303 HydrophobicContact CG-CE1 4.37Å; F139-Y303 HydrophobicContact CB-CD1 4.05Å; F139-Y303 HydrophobicContact CB-CE1 3.84Å; F139-Y303 AromaticContact CD1-CD1 3.96Å; F139-Y303 HydrophobicContact CD1-CD1 3.96Å; F139-Y303 HydrophobicContact CD1-CD2 4.5Å; F139-Y303 AromaticContact CD1-CG 3.93Å; F139-Y303 HydrophobicContact CD1-CG 3.93Å; F139-Y303 HydrophobicContact CD2-CD1 4.26Å; F139-Y303 AromaticContact CD2-CD2 3.92Å; F139-Y303 HydrophobicContact CD2-CD2 3.92Å; F139-Y303 HydrophobicContact CD2-CE1 4.21Å; F139-Y303 AromaticContact CD2-CE2 3.86Å; F139-Y303 HydrophobicContact CD2-CE2 3.86Å; F139-Y303 HydrophobicContact CD2-CG 4.11Å; F139-Y303 HydrophobicContact CE1-CD1 4.46Å; F139-Y303 HydrophobicContact CE1-CD2 4.37Å; F139-Y303 AromaticContact CE1-CG 3.98Å; F139-Y303 HydrophobicContact CE1-CG 3.98Å; F139-Y303 AromaticContact CE2-CD2 3.76Å; F139-Y303 HydrophobicContact CE2-CD2 3.76Å; F139-Y303 HydrophobicContact CE2-CE2 4.02Å; F139-Y303 HydrophobicContact CE2-CG 4.15Å; F139-Y303 AromaticContact CG-CD1 3.84Å; F139-Y303 HydrophobicContact CG-CD1 3.84Å; F139-Y303 HydrophobicContact CG-CD2 4.28Å; F139-Y303 AromaticContact CG-CE1 3.97Å; F139-Y303 HydrophobicContact CG-CE1 3.97Å; F139-Y303 HydrophobicContact CG-CE2 4.4Å; F139-Y303 HydrophobicContact CG-CG 4Å; F139-Y303 HydrophobicContact CZ-CD2 4Å; F139-Y303 HydrophobicContact CZ-CG 4.08Å; Q299-Y303 WeakPolarHBondContact O-CB 3.08Å; Q299-Y303 PolarHBondContact O-N 3.41Å; F300-Y303 PolarHBondContact O-N 3.43Å; Y303-Q305 PolarHBondContact O-N 2.92Å; Y303-L306 PolarHBondContact O-N 3.25Å; Y303-Y307 AromaticContact CE1-CD2 4Å; Y303-Y307 HydrophobicContact CE1-CD2 4Å; Y303-Y307 VanDerWaalsContact O-CB 3.32Å; Y303-Y307 WeakPolarHBondContact O-CB 3.45Å; Y303-Y307 PolarHBondContact O-N 2.89Å; Y303-L461 HydrophobicContact CD2-CD2 4.29Å; Y303-P464 HydrophobicContact CD2-CB 4.36Å; Y303-P464 HydrophobicContact CD2-CG 4.01Å; Y303-P464 HydrophobicContact CE2-CB 4.3Å; Y303-P464 HydrophobicContact CE2-CG 3.68Å
304N93.1Very high86.2Confident84 Ų8450.1 Ų50.145%0.44925%0.249SC..Hα-helixtrans-69.5-29.1177.6-167.645.8000113.1F300 R301 I302 P308F300-N304 VanDerWaalsContact O-CB 3.25Å; F300-N304 WeakPolarHBondContact O-CB 3.36Å; F300-N304 PolarHBondContact O-N 2.86Å; R301-N304 PolarHBondContact O-N 3.16Å; I302-N304 VanDerWaalsContact C-N 3.29Å; I302-N304 PolarHBondContact O-N 2.83Å; N304-P308 WeakPolarHBondContact O-CD 3.37Å
305Q92.2Very high83.5Confident53 Ų5355.7 Ų55.725%0.24829%0.285CS..Hα-helixtrans-72.8-33.4170.1-71.7165.6-46.500112.4R301 I302 Y303 H414 I418 D421R301-Q305 WeakPolarHBondContact O-CG 3.32Å; R301-Q305 PolarHBondContact O-N 3.43Å; R301-Q305 VanDerWaalsContact O-N 3.12Å; I302-Q305 WeakPolarHBondContact O-CB 3.21Å; I302-Q305 PolarHBondContact O-N 2.88Å; I302-Q305 VanDerWaalsContact O-N 3.11Å; Y303-Q305 PolarHBondContact O-N 2.92Å; Q305-H414 PolarHBondContact O-NE2 3.08Å; Q305-I418 HydrophobicContact CB-CD1 4.31Å; Q305-I418 HydrophobicContact CB-CG1 4.44Å; Q305-D421 PolarHBondContact NE2-OD2 3.3Å
306L91.8Very high80.6Confident0 Ų063.8 Ų63.80%032%0.323CS..Hα-helixtrans-76.8-44.9178.8-74.7164.6000112.6I302 Y303 I309 I310 I418 P464 L465 L468I302-L306 HydrophobicContact CG2-CD1 3.71Å; I302-L306 HydrophobicContact CG2-CG 4.37Å; I302-L306 WeakPolarHBondContact O-CG 3.25Å; I302-L306 PolarHBondContact O-N 2.93Å; Y303-L306 PolarHBondContact O-N 3.25Å; L306-I309 PolarHBondContact O-N 3.44Å; L306-I310 HydrophobicContact CB-CD1 4.46Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 2.82Å; L306-I418 HydrophobicContact CD2-CD1 3.59Å; L306-I418 HydrophobicContact CG-CD1 3.89Å; L306-P464 HydrophobicContact CD1-CB 3.83Å; L306-L465 HydrophobicContact CD1-CD2 3.73Å; L306-L465 HydrophobicContact CD1-CG 4.02Å; L306-L465 HydrophobicContact CD2-CD2 4.25Å; L306-L468 HydrophobicContact CD2-CB 3.91Å; L306-L468 HydrophobicContact CD2-CD2 3.79Å; L306-L468 HydrophobicContact CD2-CG 4.4Å
307Y91.4Very high77.5Confident50 Ų5065.8 Ų65.820%0.19635%0.346CS..Hα-helixtrans-46.3-50.2-171.9-173.7-98.3000115.2P134 P136 Y303 I309 I310 T311P134-Y307 WeakPolarHBondContact O-CE2 3.21Å; P136-Y307 HydrophobicContact CG-CD1 4.04Å; P136-Y307 HydrophobicContact CG-CD2 4.37Å; P136-Y307 HydrophobicContact CG-CG 3.91Å; Y303-Y307 AromaticContact CE1-CD2 4Å; Y303-Y307 HydrophobicContact CE1-CD2 4Å; Y303-Y307 VanDerWaalsContact O-CB 3.32Å; Y303-Y307 WeakPolarHBondContact O-CB 3.45Å; Y303-Y307 PolarHBondContact O-N 2.89Å; Y307-I309 VanDerWaalsContact C-N 3.28Å; Y307-I309 PolarHBondContact O-N 3.34Å; Y307-I310 WeakPolarHBondContact O-CG1 3.37Å; Y307-T311 WeakPolarHBondContact O-CB 3.33Å; Y307-T311 PolarHBondContact O-N 3.45Å; Y307-T311 PolarHBondContact O-OG1 3.07Å
308P89.1Confident74.3Confident59 Ų5969.4 Ų69.438%0.38337%0.368SS..Hα-helixtrans-62.9-34.4179.224.3-34000112.7N304 Q312N304-P308 WeakPolarHBondContact O-CD 3.37Å; P308-Q312 WeakPolarHBondContact O-CB 3.48Å; P308-Q312 VanDerWaalsContact O-CD 3.3Å; P308-Q312 WeakPolarHBondContact O-CG 3.34Å; P308-Q312 PolarHBondContact O-N 3Å; P308-Q312 VanDerWaalsContact O-N 3.13Å
309I86.8Confident71.2Confident24 Ų2474.2 Ų74.212%0.12340%0.401CS..Hα-helixtrans-77.6-44.6-176.2-60.8175.1000110.8L306 Y307 T311 H414 L468 R471L306-I309 PolarHBondContact O-N 3.44Å; Y307-I309 VanDerWaalsContact C-N 3.28Å; Y307-I309 PolarHBondContact O-N 3.34Å; I309-T311 VanDerWaalsContact C-N 3.29Å; I309-T311 PolarHBondContact O-N 2.87Å; I309-H414 HydrophobicContact CD1-CB 4.31Å; I309-H414 WeakPolarHBondContact CD1-CD2 3.37Å; I309-H414 VanDerWaalsContact CD1-NE2 3.25Å; I309-H414 WeakPolarHBondContact CD1-NE2 3.47Å; I309-L468 HydrophobicContact CD1-CD1 4.46Å; I309-L468 HydrophobicContact CG2-CD1 3.67Å; I309-R471 VanDerWaalsContact CG2-NH1 3.32Å; I309-R471 PolarHBondContact O-NE 3.49Å; I309-R471 VanDerWaalsContact O-NE 3.17Å; I309-R471 PolarHBondContact O-NH1 3.03Å; I309-R471 PolarHBondContact O-NH2 3.24Å
310I84.2Confident68.5Low22 Ų2283.4 Ų83.411%0.11344%0.444CS..Hα-helixtrans-70.8-25.6178.364.9-175.4000112.6F133 L306 Y307 P464 A467F133-I310 HydrophobicContact CB-CD1 4.15Å; F133-I310 HydrophobicContact CD1-CD1 4.21Å; F133-I310 HydrophobicContact CD2-CB 4.32Å; F133-I310 HydrophobicContact CD2-CD1 3.68Å; F133-I310 HydrophobicContact CD2-CG1 4.04Å; F133-I310 HydrophobicContact CE2-CB 4.32Å; F133-I310 HydrophobicContact CE2-CD1 4.09Å; F133-I310 HydrophobicContact CE2-CG1 4.48Å; F133-I310 HydrophobicContact CG-CD1 3.74Å; F133-I310 HydrophobicContact CG-CG1 4.5Å; L306-I310 HydrophobicContact CB-CD1 4.46Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 2.82Å; Y307-I310 WeakPolarHBondContact O-CG1 3.37Å; I310-P464 HydrophobicContact CD1-CB 4.09Å; I310-A467 HydrophobicContact CB-CB 4.47Å; I310-A467 HydrophobicContact CG2-CB 3.85Å
311T81.8Confident65.3Low50 Ų5085.8 Ų85.831%0.30747%0.467SS..Hα-helixtrans-89.1-24.3-178.9-52.10000113.3Y307 I309 S313Y307-T311 WeakPolarHBondContact O-CB 3.33Å; Y307-T311 PolarHBondContact O-N 3.45Å; Y307-T311 PolarHBondContact O-OG1 3.07Å; I309-T311 VanDerWaalsContact C-N 3.29Å; I309-T311 PolarHBondContact O-N 2.87Å; T311-S313 PolarHBondContact O-N 3.45Å
312Q73.7Confident62.1Low124 Ų12486.8 Ų86.858%0.57948%0.482SS*.  trans-65.7106.4172.2-80.6165.612.400110P308 L314 R471P308-Q312 WeakPolarHBondContact O-CB 3.48Å; P308-Q312 VanDerWaalsContact O-CD 3.3Å; P308-Q312 WeakPolarHBondContact O-CG 3.34Å; P308-Q312 PolarHBondContact O-N 3Å; P308-Q312 VanDerWaalsContact O-N 3.13Å; Q312-L314 PolarHBondContact O-N 3Å; Q312-R471 PolarHBondContact O-NH2 2.9Å
313S48.4Very low59Low106 Ų10692.4 Ų92.474%0.74152%0.518SS*.  trans-66.8124.2162.353.90000108.8T311T311-S313 PolarHBondContact O-N 3.45Å
314L41.2Very low56Low94 Ų94101.2 Ų101.249%0.49256%0.56SS.*  trans-56.6133.2166.7-153.376.2000107.7Q312 Q316Q312-L314 PolarHBondContact O-N 3Å; L314-Q316 PolarHBondContact O-N 3.46Å
315P33.6Very low52.8Low123 Ų123102.4 Ų102.480%0.79958%0.575SS**  trans-65.791.7-177.9-21.833.8000111.8S317P315-S317 PolarHBondContact O-N 3.1Å; P315-S317 VanDerWaalsContact O-N 3.07Å
316Q34.5Very low49.7Very low182 Ų182107.4 Ų107.485%0.8560%0.602SS**  trans-65110.2168.5-80.3-177.2-3900109.1L314L314-Q316 PolarHBondContact O-N 3.46Å
317S26.7Very low46.7Very low101 Ų101113.4 Ų113.471%0.70664%0.641SS**  trans50110.6165.257.20000117.1P315 P319P315-S317 PolarHBondContact O-N 3.1Å; P315-S317 VanDerWaalsContact O-N 3.07Å; S317-P319 WeakPolarHBondContact O-CD 3.37Å
318L25.6Very low43.7Very low169 Ų169119.7 Ų119.789%0.88567%0.673SS**  trans-53.1126.2154.9-81.6120.3000109.6Q320L318-Q320 PolarHBondContact O-N 3.28Å; L318-Q320 VanDerWaalsContact O-N 3.14Å
319P29.5Very low40.7Very low114 Ų114122.6 Ų122.674%0.7469%0.694SS**  trans-62.4117.8176.1-24.534.9000111.3S317 S321S317-P319 WeakPolarHBondContact O-CD 3.37Å; P319-S321 PolarHBondContact O-N 3.29Å
320Q37.4Very low37.7Very low199 Ų199129 Ų12993%0.9373%0.728SS**  trans-60.6106.4167.8-75.3-178.6-22.500109.9L318L318-Q320 PolarHBondContact O-N 3.28Å; L318-Q320 VanDerWaalsContact O-N 3.14Å
321S27.1Very low35.1Very low99 Ų99133.2 Ų133.269%0.69276%0.757SS**  trans-156.499156.5470000110.9P319 P323P319-S321 PolarHBondContact O-N 3.29Å; S321-P323 WeakPolarHBondContact O-CD 3.28Å
322L26.1Very low32.4Very low163 Ų163138.7 Ų138.785%0.85378%0.779SS**  trans-73.6131.3156.5-80.485.5000108.5
323P29.7Very low30Very low121 Ų121138.2 Ų138.279%0.78679%0.789SS**  trans-83.7112.1153.6-8.827.7000108.9S321 S325S321-P323 WeakPolarHBondContact O-CD 3.28Å; P323-S325 PolarHBondContact O-N 2.81Å
324Q31.5Very low29.3Very low188 Ų188138.8 Ų138.888%0.87979%0.79SS**  trans-69.6121.1166.5-71.5179.6-21.800110.1
325S27.7Very low28.4Very low109 Ų109138.3 Ų138.376%0.76280%0.8SS**  trans-174.3110.8146.449.30000112.1P323P323-S325 PolarHBondContact O-N 2.81Å
326L25.2Very low28Very low158 Ų158140.2 Ų140.283%0.82780%0.803SS**  trans-78.8152.7153.1-82.591.6000109.3
327P29.5Very low27.9Very low127 Ų127136.6 Ų136.683%0.82580%0.795SS**  -113.3160.7117.4-12.730.6000114
328Q28.4Very low27.8Very low182 Ų182139.5 Ų139.585%0.8580%0.802SS**  trans-83.5141.9-173.4-59159.5-31.700113
329S25.7Very low27.8Very low120 Ų120143.4 Ų143.484%0.83980%0.804SS**  trans-168.8110.8135.157.70000112.3
330L25.3Very low27.6Very low157 Ų157143.1 Ų143.182%0.82281%0.805SS**  trans-87.2156.9162.1-95.5133.1000109.6
331P29.5Very low27.1Very low112 Ų112139 Ų13973%0.72780%0.798SS**  -138128.597.719.32.1000115.9
332Q23.6Very low27Very low165 Ų165145.1 Ų145.177%0.77181%0.806SS**  62.4105.2123-58.9176.50.400120.9
333S23.5Very low27.1Very low113 Ų113142.1 Ų142.179%0.7980%0.799SS**  43.4150.1111.2-53.40000121.2
334P33.3Very low27Very low119 Ų119142.8 Ų142.877%0.77380%0.796SS**  cis-147.9147.132.239.7-18.1000120.7
335A23.4Very low26.7Very low83 Ų83141.7 Ų141.769%0.68679%0.791SS**  trans33.7127.2130.500000125.3
336L24.2Very low26.7Very low164 Ų164143.6 Ų143.686%0.85980%0.797SS**  trans71.1163.4134.8-67172000120.3
337P32.8Very low26.9Very low106 Ų106146.6 Ų146.669%0.68880%0.797SS**  cis-133.8172.9-8.127.7-4.5000117.2
338L25.7Very low26.7Very low162 Ų162148.8 Ų148.885%0.84880%0.801SS**  trans3135.4150.2-65.9131.2000121
339R25.8Very low26.6Very low250 Ų250145.1 Ų145.194%0.94380%0.796SS**  -163.5138.5119.3-121.9172.9178.3159.30.1115.8
340S25.2Very low27.4Very low109 Ų109144.9 Ų144.976%0.76279%0.792SS**  trans-104.1140.9164.61680000110.1
341S27Very low27.4Very low112 Ų112145.5 Ų145.578%0.78379%0.79SS**  trans167.9155157-81.50000109.9
342R24.8Very low27.2Very low228 Ų228152.1 Ų152.186%0.8680%0.801SS**  cis166.1138.7-20.6-151.8179.1-175-170.41105
343S26.5Very low27.4Very low100 Ų100150.9 Ų150.970%0.69980%0.799SS**  trans66.4142.8158.7-100.20000118.4
344N27.9Very low28.6Very low134 Ų134150.5 Ų150.572%0.71779%0.794SS**  cis-166.1163.841.2-109.5-21.7000114.5
345H25.9Very low28.2Very low166 Ų166152 Ų15277%0.76980%0.802SS**  trans-34.6150.1169.4-55.2-85.7000120
346V27.6Very low28.3Very low149 Ų149159.3 Ų159.390%0.90381%0.811SS**  -140132.7126.2177.30000109.8
347R28.4Very low28.4Very low220 Ų220157.8 Ų157.883%0.8381%0.809SS**  trans-101.2157.4161.2-81.8-177.5171.9-178-2.4108.5
348L26.6Very low28.1Very low173 Ų173157.6 Ų157.691%0.90681%0.811SS**  176132.1119.7-93.3160.5000112.6
349S26.8Very low28.1Very low105 Ų105154.7 Ų154.773%0.73480%0.804SS**  trans-85.5179.6163.7-38.10000109.8
350P41.3Very low28Very low116 Ų116147.3 Ų147.375%0.75379%0.79SS**  -154.2155.468.738.6-16.4000119.8
351E25.8Very low28.2Very low170 Ų170149.6 Ų149.679%0.79479%0.793SS**  trans22.9139.6141.7-54.3-167115.100124.9
352R26.2Very low28.2Very low250 Ų250150.9 Ų150.994%0.94379%0.791SS**  -159.7140115.3-116.6174.9177.9172.6-1114.5
353N26.5Very low28.4Very low139 Ų139144.7 Ų144.774%0.74378%0.783SS**  trans-104.7-168.2178.2-93.6-27.8000110.4
354P48.3Very low28.4Very low105 Ų105148.7 Ų148.768%0.68279%0.791SS**  -137.3-177.5-57.741.5-26.1000113.1
355T25.6Very low28.4Very low152 Ų152149.7 Ų149.793%0.93380%0.796SS**  trans-151.1155.5152.70.90000113.9
356R25.6Very low28.4Very low235 Ų235145.9 Ų145.989%0.88779%0.793SS**  trans-116.5155.6-166.5-52.4155.690.5174.67.7112.3
357T25.9Very low28.6Very low132 Ų132143.7 Ų143.781%0.8179%0.791SS**  trans-169.5112.2141.819.80000108.5
358S26Very low28.8Very low103 Ų103142.4 Ų142.472%0.7279%0.794SS**  63.4132.995.568.10000115.1
359S26.2Very low29.1Very low101 Ų101145 Ų14571%0.70679%0.792SS**  cis-173.5147.98.341.10000113.5
360S24.4Very low29.3Very low94 Ų94147.1 Ų147.166%0.65780%0.795SS**  trans35.9133.3145.662.40000123
361L29.6Very low28.6Very low158 Ų158148.7 Ų148.783%0.82780%0.797SS**  -174.7166.9104.2-96.1170.7000113
362D27.2Very low29.1Very low139 Ų139146.1 Ų146.174%0.74380%0.798SS**  trans-133.6165.9-159-23.4-99000110.2
363S28.3Very low29.3Very low98 Ų98142.3 Ų142.369%0.68579%0.788SS**  cis-166.6164.3-0.3-151.70000110.6
364E27.5Very low29.8Very low184 Ų184142.8 Ų142.886%0.8679%0.786SS**  trans63.6153.1161.1-61.3171.6161.900117.3
365D26Very low29.2Very low154 Ų154144.3 Ų144.382%0.82479%0.789SS**  cis-155.6164.79-160.52.3000112.3
366A27.5Very low29.6Very low86 Ų86142 Ų14271%0.71177%0.77SS**  trans37112.1155.500000123.7
367A30.2Very low30.3Very low104 Ų104137.7 Ų137.786%0.8676%0.76SS**  trans-157.9128.6135.600000112.2
368Q34Very low30.8Very low192 Ų192137 Ų13790%0.89775%0.747SS**  trans-82.8135.6172-66.7163.2-7600111.1
369R31.6Very low31.3Very low229 Ų229138.1 Ų138.186%0.86474%0.739SS**  trans-175.7118.6143.8-104.1163.3-158.6-168.84.7112.6
370D31.2Very low31.8Very low148 Ų148138.2 Ų138.279%0.79173%0.731SS**  trans41.783.3142.9-49.3-22.6000120.1
371D26.1Very low32.5Very low150 Ų150136.6 Ų136.680%0.80272%0.72SS**  trans-108.389153.6-78.2-50.2000109.6
372S36.9Very low32.7Very low115 Ų115134.8 Ų134.880%0.80471%0.707SS**  trans-104.119.7178.9-178.70000112.6
373F29.8Very low33Very low170 Ų170134 Ų13475%0.74670%0.702SS**SBendtrans-116.9-21.8-170.1-142.4-100.1000115.1
374E37.4Very low33.3Very low150 Ų150136.7 Ų136.770%0.70171%0.709SS**Hα-helixtrans-73.6-29.4179-64-167.9144.300113.3L376 E377 H378E374-L376 VanDerWaalsContact C-N 3.27Å; E374-L376 PolarHBondContact O-N 3.19Å; E374-E377 PolarHBondContact O-N 3.49Å; E374-H378 PolarHBondContact O-N 2.81Å
375D35.6Very low33.9Very low137 Ų137132.5 Ų132.573%0.73370%0.7SS**Hα-helixtrans-66.8-27.4-177.4-119.9-3000112.7F379D375-F379 WeakPolarHBondContact O-CB 3.47Å; D375-F379 PolarHBondContact O-N 2.96Å; D375-F379 VanDerWaalsContact O-N 3.07Å
376L35Very low34.1Very low104 Ų104128.8 Ų128.855%0.54569%0.691SS.*Hα-helixtrans-75.9-37.8177.2-169.864.1000111.8E374 F379 L380E374-L376 VanDerWaalsContact C-N 3.27Å; E374-L376 PolarHBondContact O-N 3.19Å; L376-F379 PolarHBondContact O-N 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.44Å; L376-L380 PolarHBondContact O-N 3.19Å; L376-L380 VanDerWaalsContact O-N 3.11Å
377E39.6Very low34.4Very low143 Ų143130.5 Ų130.567%0.66870%0.695SS**Hα-helixtrans-72.1-35.1177.2-160.1168.4-133.600111.1E374 S381E374-E377 PolarHBondContact O-N 3.49Å; E377-S381 VanDerWaalsContact O-CB 3.31Å; E377-S381 WeakPolarHBondContact O-CB 3.38Å; E377-S381 PolarHBondContact O-N 3.09Å; E377-S381 PolarHBondContact O-OG 3.15Å
378H36.7Very low34.6Very low117 Ų117136.7 Ų136.754%0.54270%0.696SS.*Hα-helixtrans-69.8-34173.3-156.9-102.4000112.6E374 Q382E374-H378 PolarHBondContact O-N 2.81Å; H378-Q382 PolarHBondContact CE1-NE2 3.43Å; H378-Q382 PolarHBondContact ND1-NE2 2.78Å; H378-Q382 WeakPolarHBondContact O-CG 3.5Å; H378-Q382 PolarHBondContact O-N 2.87Å; H378-Q382 VanDerWaalsContact O-N 3.14Å
379F35.7Very low34.5Very low127 Ų127131 Ų13156%0.55769%0.689SS**Hα-helixtrans-67.7-43173.7-172-99.7000112.5D375 L376 Q382 L383D375-F379 WeakPolarHBondContact O-CB 3.47Å; D375-F379 PolarHBondContact O-N 2.96Å; D375-F379 VanDerWaalsContact O-N 3.07Å; L376-F379 PolarHBondContact O-N 3.44Å; F379-Q382 PolarHBondContact O-N 3.24Å; F379-L383 HydrophobicContact CD1-CD1 4.46Å; F379-L383 HydrophobicContact CE1-CD1 4.19Å; F379-L383 PolarHBondContact O-N 3.17Å
380L37.3Very low34.6Very low104 Ų104123.3 Ų123.355%0.54568%0.681SS.*Hα-helixtrans-65.1-41.2174.5-68.4170.7000111.6L376 Q382 L383L376-L380 WeakPolarHBondContact O-CG 3.44Å; L376-L380 PolarHBondContact O-N 3.19Å; L376-L380 VanDerWaalsContact O-N 3.11Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 3.02Å; L380-L383 PolarHBondContact O-N 3.11Å; L380-L383 VanDerWaalsContact O-N 3.16Å
381S38.9Very low34.7Very low60 Ų60124.5 Ų124.542%0.4269%0.687SS.*Hα-helixtrans-63.5-29.5177.3-60.90000113.8E377 S385E377-S381 VanDerWaalsContact O-CB 3.31Å; E377-S381 WeakPolarHBondContact O-CB 3.38Å; E377-S381 PolarHBondContact O-N 3.09Å; E377-S381 PolarHBondContact O-OG 3.15Å; S381-S385 WeakPolarHBondContact O-CB 3.45Å; S381-S385 PolarHBondContact O-N 3.48Å; S381-S385 PolarHBondContact O-OG 3.04Å
382Q33.8Very low35.3Very low120 Ų120126.2 Ų126.256%0.56169%0.69SS**Hα-helixtrans-74.6-24.4176-78-178.729.300113.6H378 F379 L380H378-Q382 PolarHBondContact CE1-NE2 3.43Å; H378-Q382 PolarHBondContact ND1-NE2 2.78Å; H378-Q382 WeakPolarHBondContact O-CG 3.5Å; H378-Q382 PolarHBondContact O-N 2.87Å; H378-Q382 VanDerWaalsContact O-N 3.14Å; F379-Q382 PolarHBondContact O-N 3.24Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 3.02Å
383L34.6Very low35.1Very low121 Ų121124.9 Ų124.963%0.63469%0.685SS**Hα-helixtrans-74.5-34.4176-71.4167.7000112.1F379 L380F379-L383 HydrophobicContact CD1-CD1 4.46Å; F379-L383 HydrophobicContact CE1-CD1 4.19Å; F379-L383 PolarHBondContact O-N 3.17Å; L380-L383 PolarHBondContact O-N 3.11Å; L380-L383 VanDerWaalsContact O-N 3.16Å
384D34.6Very low35.5Very low156 Ų156125.7 Ų125.783%0.83469%0.692SS**Hα-helixtrans-83-15.8177.7-82.2-22.1000114.2
385S39.8Very low35.7Very low96 Ų96124.4 Ų124.467%0.67169%0.689SS**  trans-11636.5-169-59.60000115.4S381S381-S385 WeakPolarHBondContact O-CB 3.45Å; S381-S385 PolarHBondContact O-N 3.48Å; S381-S385 PolarHBondContact O-OG 3.04Å
386A29.4Very low36.1Very low75 Ų75124.4 Ų124.462%0.6269%0.694SS**  trans-97.9120.4172.500000112.2R388A386-R388 PolarHBondContact O-N 2.99Å
387P34Very low36.8Very low123 Ų123125.8 Ų125.880%0.79970%0.696SS**  trans-70128.6176.428.4-32.9000110.6G389P387-G389 PolarHBondContact O-N 3.4Å
388R34.6Very low37.2Very low233 Ų233123.7 Ų123.788%0.87969%0.689SS**  trans-67.776.5176.5-73.8-170.2175.9-168.80.8112.3A386A386-R388 PolarHBondContact O-N 2.99Å
389G31.3Very low38.4Very low74 Ų74122.9 Ų122.976%0.76370%0.695SS**  trans-97.578.9172.600000112.2P387P387-G389 PolarHBondContact O-N 3.4Å
390G35.3Very low39.8Very low67 Ų67119.7 Ų119.769%0.69169%0.688SS**  trans44.6106158.100000119.9
391L31.9Very low41.5Very low173 Ų173118.1 Ų118.191%0.90668%0.683SS**  -161150118.8-101.9164.3000109.3A393L391-A393 PolarHBondContact O-N 3.15Å
392Q38.8Very low43.2Very low185 Ų185120.9 Ų120.986%0.86469%0.689SS**  trans-66.2119.7-172.2-74.9159.2-61.500112.4
393A32.9Very low45.5Very low87 Ų87119.9 Ų119.972%0.71969%0.687SS**  trans-123.8117.2146.500000106.7L391 L395L391-A393 PolarHBondContact O-N 3.15Å; A393-L395 VanDerWaalsContact C-N 3.27Å; A393-L395 PolarHBondContact O-N 3.33Å
394E37.4Very low47.6Very low187 Ų187119.9 Ų119.987%0.87468%0.684SS**  trans-72.683.6175.9-70.4178.6131.800109.4T396E394-T396 PolarHBondContact O-N 2.9Å
395L41.9Very low50Low123 Ų123118 Ų11864%0.64467%0.669SS**  trans-72.1112.6156.7-71.9173.7000107.3A393 F397A393-L395 VanDerWaalsContact C-N 3.27Å; A393-L395 PolarHBondContact O-N 3.33Å; L395-F397 HydrophobicContact CB-CD2 3.92Å; L395-F397 HydrophobicContact CB-CE2 3.58Å; L395-F397 HydrophobicContact CB-CZ 4.06Å; L395-F397 HydrophobicContact CD1-CE2 4.2Å; L395-F397 HydrophobicContact CD1-CZ 3.88Å; L395-F397 WeakPolarHBondContact O-CD2 3.46Å; L395-F397 PolarHBondContact O-N 3.33Å
396T44.6Very low52.2Low137 Ų137118.1 Ų118.184%0.8466%0.662SS**  trans-66.486.4162.245.40000108.2E394 D398E394-T396 PolarHBondContact O-N 2.9Å; T396-D398 PolarHBondContact O-N 3.43Å; T396-D398 VanDerWaalsContact O-N 3.14Å
397F48.8Very low54.9Low134 Ų134119.2 Ų119.259%0.58866%0.655SS**  trans-65107.6173.5-76-86.9000109.1L395 P399L395-F397 HydrophobicContact CB-CD2 3.92Å; L395-F397 HydrophobicContact CB-CE2 3.58Å; L395-F397 HydrophobicContact CB-CZ 4.06Å; L395-F397 HydrophobicContact CD1-CE2 4.2Å; L395-F397 HydrophobicContact CD1-CZ 3.88Å; L395-F397 WeakPolarHBondContact O-CD2 3.46Å; L395-F397 PolarHBondContact O-N 3.33Å; F397-P399 WeakPolarHBondContact O-CD 3.35Å
398D49.9Very low57.5Low98 Ų98116.3 Ų116.352%0.52463%0.632SS.*  trans-91.2110.5175.6-166.2-27.6000109.9T396 S400 V401T396-D398 PolarHBondContact O-N 3.43Å; T396-D398 VanDerWaalsContact O-N 3.14Å; D398-S400 PolarHBondContact O-N 3.31Å; D398-S400 VanDerWaalsContact O-N 3.12Å; D398-S400 VanDerWaalsContact OD1-CB 3.28Å; D398-S400 WeakPolarHBondContact OD1-CB 3.48Å; D398-S400 PolarHBondContact OD1-N 3Å; D398-V401 HydrophobicContact CB-CG2 4.4Å; D398-V401 PolarHBondContact O-N 3.31Å
399P61.2Low60.1Low101 Ų101111.7 Ų111.766%0.65662%0.615SS**Hα-helixtrans-65.9-12.1-178.728.3-35.4000113.6F397 L403F397-P399 WeakPolarHBondContact O-CD 3.35Å; P399-L403 PolarHBondContact O-N 3.12Å
400S65.9Low62.9Low59 Ų59110.8 Ų110.841%0.41360%0.6SS.*Hα-helixtrans-65.8-39174.8-158.60000112D398 L403 E404D398-S400 PolarHBondContact O-N 3.31Å; D398-S400 VanDerWaalsContact O-N 3.12Å; D398-S400 VanDerWaalsContact OD1-CB 3.28Å; D398-S400 WeakPolarHBondContact OD1-CB 3.48Å; D398-S400 PolarHBondContact OD1-N 3Å; S400-L403 PolarHBondContact O-N 3.11Å; S400-E404 PolarHBondContact O-N 3.35Å
401V72.1Confident65.6Low72 Ų72108.9 Ų108.944%0.43657%0.574SS.*Hα-helixtrans-72.7-36.8-174.5-179.10000111.6D398 L403 Q405D398-V401 HydrophobicContact CB-CG2 4.4Å; D398-V401 PolarHBondContact O-N 3.31Å; V401-L403 VanDerWaalsContact C-N 3.33Å; V401-Q405 VanDerWaalsContact O-CG 3.29Å; V401-Q405 WeakPolarHBondContact O-CG 3.48Å; V401-Q405 PolarHBondContact O-N 2.96Å
402E75.5Confident68.4Low118 Ų118105.5 Ų105.555%0.55155%0.552SS**Hα-helixtrans-65.8-36.7174.8-67.9-172.5166.500111.8L406E402-L406 WeakPolarHBondContact O-CB 3.37Å; E402-L406 WeakPolarHBondContact O-CD1 3.47Å; E402-L406 VanDerWaalsContact O-CG 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.26Å; E402-L406 PolarHBondContact O-N 3.21Å
403L80Confident71Confident99 Ų99102.5 Ų102.552%0.51854%0.537SS..Hα-helixtrans-65.8-48.2178.1-176.961.3000111.6P399 S400 V401 Q405 L406 E407P399-L403 PolarHBondContact O-N 3.12Å; S400-L403 PolarHBondContact O-N 3.11Å; V401-L403 VanDerWaalsContact C-N 3.33Å; L403-Q405 VanDerWaalsContact C-N 3.31Å; L403-Q405 PolarHBondContact O-N 2.9Å; L403-L406 PolarHBondContact O-N 3.08Å; L403-E407 WeakPolarHBondContact O-CG 3.38Å; L403-E407 PolarHBondContact O-N 2.9Å
404E80.1Confident73.9Confident121 Ų121101.1 Ų101.157%0.56552%0.516SS*.Hα-helixtrans-60.9-38.5177.5-71.1173.7-174.300112.3S400 E407 L408S400-E404 PolarHBondContact O-N 3.35Å; E404-E407 PolarHBondContact O-N 2.96Å; E404-L408 WeakPolarHBondContact O-CB 3.5Å; E404-L408 PolarHBondContact O-N 2.96Å
405Q83.8Confident76.6Confident115 Ų11592.9 Ų92.954%0.53748%0.478SS..Hα-helixtrans-67.7-37.7175.3-71.5178.718.800112.8V401 L403 R409V401-Q405 VanDerWaalsContact O-CG 3.29Å; V401-Q405 WeakPolarHBondContact O-CG 3.48Å; V401-Q405 PolarHBondContact O-N 2.96Å; L403-Q405 VanDerWaalsContact C-N 3.31Å; L403-Q405 PolarHBondContact O-N 2.9Å; Q405-R409 WeakPolarHBondContact O-CB 3.4Å; Q405-R409 PolarHBondContact O-N 3.38Å
406L86.4Confident79.2Confident100 Ų10093.8 Ų93.852%0.52448%0.477SS..Hα-helixtrans-66.9-43.6174.4-76.7164.8000111.5E402 L403 R409 A410E402-L406 WeakPolarHBondContact O-CB 3.37Å; E402-L406 WeakPolarHBondContact O-CD1 3.47Å; E402-L406 VanDerWaalsContact O-CG 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.26Å; E402-L406 PolarHBondContact O-N 3.21Å; L403-L406 PolarHBondContact O-N 3.08Å; L406-R409 PolarHBondContact O-N 3.1Å; L406-A410 PolarHBondContact O-N 3.01Å
407E86.4Confident81.6Confident98 Ų9888.5 Ų88.546%0.45845%0.447SS..Hα-helixtrans-59.9-47.8174.2-73.5-173.8-179.600111.3L403 E404 R409 A410 L411L403-E407 WeakPolarHBondContact O-CG 3.38Å; L403-E407 PolarHBondContact O-N 2.9Å; E404-E407 PolarHBondContact O-N 2.96Å; E407-R409 VanDerWaalsContact C-N 3.32Å; E407-R409 PolarHBondContact O-N 3.34Å; E407-A410 PolarHBondContact O-N 3.35Å; E407-L411 WeakPolarHBondContact O-CB 3.42Å; E407-L411 PolarHBondContact O-N 3.09Å
408L88.1Confident83.9Confident61 Ų6182.1 Ų82.132%0.31942%0.419SS..Hα-helixtrans-62.6-36.5177.7-178.260.4000112.5E404 L411 K412E404-L408 WeakPolarHBondContact O-CB 3.5Å; E404-L408 PolarHBondContact O-N 2.96Å; L408-L411 PolarHBondContact O-N 2.95Å; L408-K412 HydrophobicContact CG-CD 4.5Å; L408-K412 WeakPolarHBondContact O-CG 3.43Å; L408-K412 PolarHBondContact O-N 3.49Å
409R89.4Confident86.1Confident137 Ų13777.9 Ų77.952%0.51740%0.396SS..Hα-helixtrans-63.6-49.2174.2-175.4-179.3-68.1117.1-0.3111Q405 L406 E407 L411 K412 E413Q405-R409 WeakPolarHBondContact O-CB 3.4Å; Q405-R409 PolarHBondContact O-N 3.38Å; L406-R409 PolarHBondContact O-N 3.1Å; E407-R409 VanDerWaalsContact C-N 3.32Å; E407-R409 PolarHBondContact O-N 3.34Å; R409-L411 VanDerWaalsContact C-N 3.28Å; R409-L411 PolarHBondContact O-N 3.14Å; R409-K412 PolarHBondContact O-N 3.39Å; R409-E413 WeakPolarHBondContact CG-OE1 3.24Å; R409-E413 WeakPolarHBondContact O-CG 3.38Å; R409-E413 PolarHBondContact O-N 2.89Å
410A90.1Very high87.7Confident54 Ų5480.3 Ų80.345%0.44639%0.393SS..Hα-helixtrans-60.8-37.7176.600000112.2L406 E407 E413 H414L406-A410 PolarHBondContact O-N 3.01Å; E407-A410 PolarHBondContact O-N 3.35Å; A410-E413 PolarHBondContact O-N 2.96Å; A410-H414 WeakPolarHBondContact O-CB 3.49Å; A410-H414 PolarHBondContact O-N 2.92Å
411L91.5Very high89.1Confident28 Ų2879.6 Ų79.615%0.14738%0.384CS..Hα-helixtrans-67.5-37178-143.1157.4000111.8E407 L408 R409 L415 L468 R471 V472E407-L411 WeakPolarHBondContact O-CB 3.42Å; E407-L411 PolarHBondContact O-N 3.09Å; L408-L411 PolarHBondContact O-N 2.95Å; R409-L411 VanDerWaalsContact C-N 3.28Å; R409-L411 PolarHBondContact O-N 3.14Å; L411-L415 WeakPolarHBondContact O-CB 3.4Å; L411-L415 PolarHBondContact O-N 3.27Å; L411-L468 HydrophobicContact CD2-CD1 3.62Å; L411-R471 HydrophobicContact CD1-CB 4.42Å; L411-R471 HydrophobicContact CD2-CB 4.12Å; L411-V472 HydrophobicContact CD2-CB 4.42Å; L411-V472 HydrophobicContact CD2-CG2 3.29Å
412K92.3Very high90.3Very high102 Ų10276.2 Ų76.244%0.44336%0.363SS..Hα-helixtrans-67.5-41.2171.5-75.6174.4179.1-178.20112.8L408 R409 L415 K416 V472L408-K412 HydrophobicContact CG-CD 4.5Å; L408-K412 WeakPolarHBondContact O-CG 3.43Å; L408-K412 PolarHBondContact O-N 3.49Å; R409-K412 PolarHBondContact O-N 3.39Å; K412-L415 PolarHBondContact O-N 3.17Å; K412-K416 WeakPolarHBondContact O-CG 3.34Å; K412-K416 PolarHBondContact O-N 3.38Å; K412-V472 HydrophobicContact CD-CG1 4.49Å; K412-V472 HydrophobicContact CG-CG1 3.68Å
413E93.4Very high91.2Very high121 Ų12173.2 Ų73.257%0.56535%0.349SS*.Hα-helixtrans-64.4-41.2175.4-73.3170.9-163.400111.6R409 A410 K416 A417R409-E413 WeakPolarHBondContact CG-OE1 3.24Å; R409-E413 WeakPolarHBondContact O-CG 3.38Å; R409-E413 PolarHBondContact O-N 2.89Å; A410-E413 PolarHBondContact O-N 2.96Å; E413-K416 PolarHBondContact O-N 3.11Å; E413-A417 PolarHBondContact O-N 3.44Å
414H92.8Very high91.8Very high59 Ų5970.3 Ų70.327%0.27334%0.344SS..Hα-helixtrans-68.4-36.2176.1-164.692.6000112.6Q305 I309 A410 A417 I418Q305-H414 PolarHBondContact O-NE2 3.08Å; I309-H414 HydrophobicContact CD1-CB 4.31Å; I309-H414 WeakPolarHBondContact CD1-CD2 3.37Å; I309-H414 VanDerWaalsContact CD1-NE2 3.25Å; I309-H414 WeakPolarHBondContact CD1-NE2 3.47Å; A410-H414 WeakPolarHBondContact O-CB 3.49Å; A410-H414 PolarHBondContact O-N 2.92Å; H414-A417 PolarHBondContact O-N 3.07Å; H414-I418 WeakPolarHBondContact CD2-CD1 3.26Å; H414-I418 VanDerWaalsContact NE2-CD1 3.35Å; H414-I418 WeakPolarHBondContact NE2-CD1 3.4Å; H414-I418 PolarHBondContact O-N 2.98Å
415L94.8Very high92.5Very high13 Ų1364.6 Ų64.67%0.06832%0.317CS..Hα-helixtrans-58-51.8169.9173.561.4000111.2L411 K412 A417 I418 V419 L468 F469 V472L411-L415 WeakPolarHBondContact O-CB 3.4Å; L411-L415 PolarHBondContact O-N 3.27Å; K412-L415 PolarHBondContact O-N 3.17Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 3.08Å; L415-I418 PolarHBondContact O-N 3.18Å; L415-I418 VanDerWaalsContact O-N 3.08Å; L415-V419 HydrophobicContact CD1-CG2 4.01Å; L415-V419 HydrophobicContact CG-CG2 4.42Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 3.45Å; L415-L468 HydrophobicContact CB-CD2 4.11Å; L415-L468 HydrophobicContact CB-CG 4.49Å; L415-L468 HydrophobicContact CD1-CD2 3.7Å; L415-L468 HydrophobicContact CD1-CG 4.18Å; L415-F469 HydrophobicContact CD1-CD2 3.95Å; L415-F469 HydrophobicContact CD1-CE1 4.25Å; L415-F469 HydrophobicContact CD1-CE2 3.53Å; L415-F469 HydrophobicContact CD1-CG 4.47Å; L415-F469 HydrophobicContact CD1-CZ 3.7Å; L415-F469 HydrophobicContact CD2-CD1 4.2Å; L415-F469 HydrophobicContact CD2-CE1 4.03Å; L415-F469 HydrophobicContact CD2-CZ 4.29Å; L415-F469 HydrophobicContact CG-CZ 4.47Å; L415-V472 HydrophobicContact CB-CG2 4.2Å; L415-V472 HydrophobicContact CD2-CB 4.32Å; L415-V472 HydrophobicContact CD2-CG1 4.3Å; L415-V472 HydrophobicContact CD2-CG2 3.86Å
416K95.4Very high93Very high143 Ų14359.3 Ų59.362%0.62229%0.292SS*.Hα-helixtrans-59.1-37.4177.5-71.5-178.1175.9-1670112.7K412 E413 R420K412-K416 WeakPolarHBondContact O-CG 3.34Å; K412-K416 PolarHBondContact O-N 3.38Å; E413-K416 PolarHBondContact O-N 3.11Å; K416-R420 WeakPolarHBondContact O-CB 3.43Å; K416-R420 PolarHBondContact O-N 3.3Å; K416-R420 VanDerWaalsContact O-N 3.14Å
417A95.9Very high93.3Very high25 Ų2558.9 Ų58.921%0.20729%0.29CS..Hα-helixtrans-64-44.2174.300000112E413 H414 L415 R420 D421E413-A417 PolarHBondContact O-N 3.44Å; H414-A417 PolarHBondContact O-N 3.07Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 3.08Å; A417-R420 PolarHBondContact O-NH2 3.29Å; A417-D421 WeakPolarHBondContact O-CB 3.44Å; A417-D421 PolarHBondContact O-N 2.96Å; A417-D421 VanDerWaalsContact O-OD1 3.08Å
418I96.4Very high93.6Very high0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-65.7-43.2176.7-74173.5000111.7I302 Q305 L306 H414 L415 R420 D421 V422 L465 L468I302-I418 HydrophobicContact CG2-CG2 4.24Å; Q305-I418 HydrophobicContact CB-CD1 4.31Å; Q305-I418 HydrophobicContact CB-CG1 4.44Å; L306-I418 HydrophobicContact CD2-CD1 3.59Å; L306-I418 HydrophobicContact CG-CD1 3.89Å; H414-I418 WeakPolarHBondContact CD2-CD1 3.26Å; H414-I418 VanDerWaalsContact NE2-CD1 3.35Å; H414-I418 WeakPolarHBondContact NE2-CD1 3.4Å; H414-I418 PolarHBondContact O-N 2.98Å; L415-I418 PolarHBondContact O-N 3.18Å; L415-I418 VanDerWaalsContact O-N 3.08Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.11Å; I418-D421 CarbonylContact O-C 3.51Å; I418-D421 PolarHBondContact O-N 3.11Å; I418-D421 VanDerWaalsContact O-N 3.16Å; I418-V422 HydrophobicContact CG2-CG2 4.2Å; I418-V422 WeakPolarHBondContact O-CB 2.87Å; I418-V422 VanDerWaalsContact O-CG2 3.28Å; I418-V422 WeakPolarHBondContact O-CG2 3.26Å; I418-V422 PolarHBondContact O-N 2.98Å; I418-L465 HydrophobicContact CG2-CD2 3.64Å; I418-L468 HydrophobicContact CD1-CD2 3.71Å
419V96.2Very high93.8Very high9 Ų952.6 Ų52.66%0.05526%0.26CS..Hα-helixtrans-58.2-46.71781710000110.9L415 V422 H423 F469 E596 F597L415-V419 HydrophobicContact CD1-CG2 4.01Å; L415-V419 HydrophobicContact CG-CG2 4.42Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 3.45Å; V419-V422 WeakPolarHBondContact O-CB 3.27Å; V419-V422 PolarHBondContact O-N 3.27Å; V419-H423 PolarHBondContact O-CD2 3.42Å; V419-H423 VanDerWaalsContact O-CD2 3.28Å; V419-H423 PolarHBondContact O-N 3.16Å; V419-F469 HydrophobicContact CG2-CZ 4.31Å; V419-E596 HydrophobicContact CG1-CB 4.2Å; V419-E596 HydrophobicContact CG2-CB 4.21Å; V419-F597 HydrophobicContact CB-CE1 4.33Å; V419-F597 HydrophobicContact CG1-CE1 4.38Å; V419-F597 HydrophobicContact CG2-CE1 3.91Å; V419-F597 HydrophobicContact CG2-CZ 4.07Å
420R95.6Very high94Very high153 Ų15347.2 Ų47.258%0.57724%0.241SC*.Hα-helixtrans-62.7-42.3174.3-175.8-162.462.4-118-16.6112.6K416 A417 I418 V422 H423 G424K416-R420 WeakPolarHBondContact O-CB 3.43Å; K416-R420 PolarHBondContact O-N 3.3Å; K416-R420 VanDerWaalsContact O-N 3.14Å; A417-R420 PolarHBondContact O-NH2 3.29Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.11Å; R420-V422 VanDerWaalsContact C-N 3.28Å; R420-V422 PolarHBondContact O-N 3.34Å; R420-H423 PolarHBondContact O-N 2.99Å; R420-G424 PolarHBondContact O-N 2.69Å
421D95.2Very high94Very high44 Ų4446.5 Ų46.524%0.23523%0.233CC..Hα-helixtrans-67.5-28.3178.9-72.314.5000111.9Q305 A417 I418 A425Q305-D421 PolarHBondContact NE2-OD2 3.3Å; A417-D421 WeakPolarHBondContact O-CB 3.44Å; A417-D421 PolarHBondContact O-N 2.96Å; A417-D421 VanDerWaalsContact O-OD1 3.08Å; I418-D421 CarbonylContact O-C 3.51Å; I418-D421 PolarHBondContact O-N 3.11Å; I418-D421 VanDerWaalsContact O-N 3.16Å; D421-A425 WeakPolarHBondContact O-CB 3.46Å; D421-A425 PolarHBondContact O-N 2.86Å
422V96.2Very high93.9Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-70.3-53.4171.4165.30000111I302 I418 V419 R420 G424 A425 I426 F457 F458 F597I302-V422 HydrophobicContact CD1-CG2 3.73Å; I302-V422 HydrophobicContact CG1-CG2 4.33Å; I302-V422 HydrophobicContact CG2-CG2 4.31Å; I418-V422 HydrophobicContact CG2-CG2 4.2Å; I418-V422 WeakPolarHBondContact O-CB 2.87Å; I418-V422 VanDerWaalsContact O-CG2 3.28Å; I418-V422 WeakPolarHBondContact O-CG2 3.26Å; I418-V422 PolarHBondContact O-N 2.98Å; V419-V422 WeakPolarHBondContact O-CB 3.27Å; V419-V422 PolarHBondContact O-N 3.27Å; R420-V422 VanDerWaalsContact C-N 3.28Å; R420-V422 PolarHBondContact O-N 3.34Å; V422-G424 PolarHBondContact O-N 3Å; V422-A425 WeakPolarHBondContact O-CB 3.44Å; V422-A425 PolarHBondContact O-N 3.2Å; V422-A425 VanDerWaalsContact O-N 3.1Å; V422-I426 HydrophobicContact CG1-CD1 3.77Å; V422-I426 WeakPolarHBondContact O-CG1 3.35Å; V422-I426 PolarHBondContact O-N 3.16Å; V422-F457 HydrophobicContact CB-CE1 4.46Å; V422-F457 HydrophobicContact CG1-CE1 3.9Å; V422-F457 HydrophobicContact CG2-CE1 4.27Å; V422-F458 HydrophobicContact CG1-CE1 3.98Å; V422-F458 HydrophobicContact CG1-CZ 3.7Å; V422-F597 HydrophobicContact CB-CD1 4.45Å; V422-F597 HydrophobicContact CB-CE1 3.96Å; V422-F597 HydrophobicContact CG1-CD1 3.83Å; V422-F597 HydrophobicContact CG1-CE1 3.75Å; V422-F597 HydrophobicContact CG2-CE1 4.05Å
423H95.1Very high93.8Very high55 Ų5540.5 Ų40.526%0.25521%0.206SC..Hα-helixtrans-56.9-50.3178.1-78.4-56.3000111.7V419 R420 A425 I426 D427 E596 F597V419-H423 PolarHBondContact O-CD2 3.42Å; V419-H423 VanDerWaalsContact O-CD2 3.28Å; V419-H423 PolarHBondContact O-N 3.16Å; R420-H423 PolarHBondContact O-N 2.99Å; H423-A425 PolarHBondContact O-N 3.1Å; H423-I426 PolarHBondContact O-N 2.84Å; H423-D427 WeakPolarHBondContact O-CB 3.4Å; H423-D427 PolarHBondContact O-N 3.43Å; H423-E596 PolarHBondContact NE2-O 2.87Å; H423-F597 PolarHBondContact CE1-O 3.1Å
424G93.4Very high93.7Very high39 Ų3935.9 Ų35.940%0.40219%0.185SC..Hα-helixtrans-61-28.4177.600000114R420 V422 Q428R420-G424 PolarHBondContact O-N 2.69Å; V422-G424 PolarHBondContact O-N 3Å; G424-Q428 VanDerWaalsContact O-CB 3.27Å; G424-Q428 WeakPolarHBondContact O-CB 3.48Å; G424-Q428 PolarHBondContact O-N 2.88Å; G424-Q428 VanDerWaalsContact O-N 3.11Å
425A94.4Very high93.4Very high1 Ų136.6 Ų36.61%0.00819%0.19CC..Hα-helixtrans-73.2-42.9173.100000112.3H298 D421 V422 H423 Q428 L429 F457H298-A425 HydrophobicContact CB-CB 3.8Å; H298-A425 VanDerWaalsContact ND1-CB 3.34Å; H298-A425 WeakPolarHBondContact ND1-CB 3.29Å; D421-A425 WeakPolarHBondContact O-CB 3.46Å; D421-A425 PolarHBondContact O-N 2.86Å; V422-A425 WeakPolarHBondContact O-CB 3.44Å; V422-A425 PolarHBondContact O-N 3.2Å; V422-A425 VanDerWaalsContact O-N 3.1Å; H423-A425 PolarHBondContact O-N 3.1Å; A425-Q428 PolarHBondContact O-N 2.88Å; A425-L429 WeakPolarHBondContact O-CB 3.42Å; A425-L429 WeakPolarHBondContact O-CD1 3.49Å; A425-L429 VanDerWaalsContact O-CG 3.24Å; A425-L429 WeakPolarHBondContact O-CG 3.36Å; A425-L429 PolarHBondContact O-N 2.96Å; A425-F457 HydrophobicContact CB-CE2 3.83Å; A425-F457 HydrophobicContact CB-CZ 3.79Å
426I94.4Very high92.9Very high4 Ų436.1 Ų36.12%0.02119%0.188CC..Hα-helixtrans-66.1-44.4177.8-66.9165000110.1V422 H423 Q428 L429 L430 L450 I453 E454 F457 F458V422-I426 HydrophobicContact CG1-CD1 3.77Å; V422-I426 WeakPolarHBondContact O-CG1 3.35Å; V422-I426 PolarHBondContact O-N 3.16Å; H423-I426 PolarHBondContact O-N 2.84Å; I426-Q428 PolarHBondContact O-N 3.21Å; I426-L429 PolarHBondContact O-N 3.11Å; I426-L430 WeakPolarHBondContact O-CB 3.25Å; I426-L430 PolarHBondContact O-N 2.65Å; I426-L450 HydrophobicContact CG2-CD1 3.43Å; I426-L450 VanDerWaalsContact CG2-CD1 3.43Å; I426-I453 HydrophobicContact CG2-CG2 4.4Å; I426-E454 HydrophobicContact CD1-CG 4.26Å; I426-E454 HydrophobicContact CG2-CG 4.35Å; I426-F457 HydrophobicContact CD1-CD1 4.19Å; I426-F457 HydrophobicContact CD1-CE1 4.4Å; I426-F457 HydrophobicContact CG1-CD1 4.19Å; I426-F457 HydrophobicContact CG1-CD2 4.41Å; I426-F457 HydrophobicContact CG1-CE1 4.35Å; I426-F457 HydrophobicContact CG1-CG 4.21Å; I426-F457 HydrophobicContact CG1-CZ 4.5Å; I426-F458 HydrophobicContact CD1-CE2 3.65Å; I426-F458 HydrophobicContact CD1-CZ 3.91Å
427D92.6Very high92.4Very high90 Ų9029.3 Ų29.348%0.48116%0.158SC..Hα-helixtrans-59.9-42.7174.3-75.9-27.4000112.4H423 L429 S431H423-D427 WeakPolarHBondContact O-CB 3.4Å; H423-D427 PolarHBondContact O-N 3.43Å; D427-L429 VanDerWaalsContact C-N 3.35Å; D427-S431 WeakPolarHBondContact O-CB 3.49Å; D427-S431 PolarHBondContact O-N 2.89Å; D427-S431 PolarHBondContact O-OG 3.17Å
428Q91.8Very high91.9Very high22 Ų2232.1 Ų32.110%0.10317%0.17CC..Hα-helixtrans-65.5-38176.4-171.6170.838.500111.8Q244 H298 G424 A425 I426 S431 L432Q244-Q428 HydrophobicContact CG-CG 4.38Å; H298-Q428 PolarHBondContact CE1-OE1 3.41Å; H298-Q428 PolarHBondContact NE2-OE1 3.34Å; G424-Q428 VanDerWaalsContact O-CB 3.27Å; G424-Q428 WeakPolarHBondContact O-CB 3.48Å; G424-Q428 PolarHBondContact O-N 2.88Å; G424-Q428 VanDerWaalsContact O-N 3.11Å; A425-Q428 PolarHBondContact O-N 2.88Å; I426-Q428 PolarHBondContact O-N 3.21Å; Q428-S431 WeakPolarHBondContact CA-OG 3.49Å; Q428-S431 PolarHBondContact O-OG 3.06Å; Q428-L432 HydrophobicContact CG-CD1 4.06Å; Q428-L432 WeakPolarHBondContact O-CB 3.49Å; Q428-L432 WeakPolarHBondContact O-CD1 3.46Å; Q428-L432 VanDerWaalsContact O-CG 3.25Å; Q428-L432 WeakPolarHBondContact O-CG 3.4Å; Q428-L432 PolarHBondContact O-N 3.44Å
429L93.2Very high91.2Very high6 Ų632.9 Ų32.93%0.03118%0.175CC..Hα-helixtrans-69-46.4175.9-72.6165.6000111.9L291 L294 L295 A425 I426 D427 C433 I453 F457L291-L429 WeakPolarHBondContact O-CD2 3.22Å; L294-L429 HydrophobicContact CB-CD2 4.14Å; L294-L429 HydrophobicContact CD2-CD2 4Å; L294-L429 HydrophobicContact CG-CD2 3.97Å; L295-L429 HydrophobicContact CB-CD1 4.04Å; L295-L429 HydrophobicContact CB-CD2 3.92Å; L295-L429 HydrophobicContact CD1-CD1 4.28Å; L295-L429 HydrophobicContact CG-CD1 4.19Å; A425-L429 WeakPolarHBondContact O-CB 3.42Å; A425-L429 WeakPolarHBondContact O-CD1 3.49Å; A425-L429 VanDerWaalsContact O-CG 3.24Å; A425-L429 WeakPolarHBondContact O-CG 3.36Å; A425-L429 PolarHBondContact O-N 2.96Å; I426-L429 PolarHBondContact O-N 3.11Å; D427-L429 VanDerWaalsContact C-N 3.35Å; L429-C433 VanDerWaalsContact O-CB 3.24Å; L429-C433 WeakPolarHBondContact O-CB 3.38Å; L429-C433 PolarHBondContact O-N 2.67Å; L429-I453 HydrophobicContact CB-CD1 4.49Å; L429-I453 HydrophobicContact CB-CG2 3.97Å; L429-I453 HydrophobicContact CD1-CG2 4.13Å; L429-F457 HydrophobicContact CD1-CD2 3.87Å; L429-F457 HydrophobicContact CD1-CE2 4.14Å
430L92.6Very high90.6Very high24 Ų2432.4 Ų32.413%0.12617%0.172CC..Hα-helixtrans-65.2-48.2179.6-179.564000111.1I426 L432 C433 L434 L450 I453I426-L430 WeakPolarHBondContact O-CB 3.25Å; I426-L430 PolarHBondContact O-N 2.65Å; L430-L432 PolarHBondContact O-N 2.73Å; L430-C433 WeakPolarHBondContact O-CB 3.2Å; L430-C433 PolarHBondContact O-N 3.09Å; L430-C433 VanDerWaalsContact O-N 3.17Å; L430-L434 HydrophobicContact CD1-CD1 4.04Å; L430-L434 HydrophobicContact CD1-CG 4.12Å; L430-L434 HydrophobicContact CG-CD1 3.92Å; L430-L434 HydrophobicContact CG-CG 4.39Å; L430-L434 VanDerWaalsContact O-CG 3.27Å; L430-L434 WeakPolarHBondContact O-CG 3.37Å; L430-L434 PolarHBondContact O-N 3.46Å; L430-L450 HydrophobicContact CD1-CB 4.5Å; L430-L450 HydrophobicContact CD2-CB 4.32Å; L430-L450 HydrophobicContact CD2-CD1 4.28Å; L430-I453 HydrophobicContact CB-CD1 4.19Å; L430-I453 HydrophobicContact CD1-CD1 4.11Å
431S90.6Very high90.1Very high38 Ų3829.8 Ų29.827%0.26617%0.17SC..Hα-helixtrans-59.5-45.7178.256.70000112.1D427 Q428 L434 L435D427-S431 WeakPolarHBondContact O-CB 3.49Å; D427-S431 PolarHBondContact O-N 2.89Å; D427-S431 PolarHBondContact O-OG 3.17Å; Q428-S431 WeakPolarHBondContact CA-OG 3.49Å; Q428-S431 PolarHBondContact O-OG 3.06Å; S431-L434 PolarHBondContact O-N 2.85Å; S431-L435 WeakPolarHBondContact O-CB 3.49Å; S431-L435 VanDerWaalsContact O-CG 3.23Å; S431-L435 WeakPolarHBondContact O-CG 3.37Å; S431-L435 PolarHBondContact O-N 2.85Å
432L89.6Confident89.8Confident1 Ų130.8 Ų30.81%0.00518%0.178CC..Hα-helixtrans-68-33.6175.5-68.2170.3000112.6L247 L291 L294 Q428 L430 L435 S436L247-L432 HydrophobicContact CB-CD1 3.9Å; L247-L432 HydrophobicContact CD1-CD1 3.96Å; L291-L432 HydrophobicContact CD2-CB 3.51Å; L291-L432 HydrophobicContact CD2-CD1 4.41Å; L294-L432 HydrophobicContact CD2-CD1 3.52Å; Q428-L432 HydrophobicContact CG-CD1 4.06Å; Q428-L432 WeakPolarHBondContact O-CB 3.49Å; Q428-L432 WeakPolarHBondContact O-CD1 3.46Å; Q428-L432 VanDerWaalsContact O-CG 3.25Å; Q428-L432 WeakPolarHBondContact O-CG 3.4Å; Q428-L432 PolarHBondContact O-N 3.44Å; L430-L432 PolarHBondContact O-N 2.73Å; L432-L435 HydrophobicContact CD2-CD1 4.41Å; L432-S436 WeakPolarHBondContact O-CB 3.3Å; L432-S436 PolarHBondContact O-N 2.72Å; L432-S436 PolarHBondContact O-OG 2.65Å
433C90.8Very high89.3Confident3 Ų334.3 Ų34.32%0.0221%0.207CC..Hα-helixtrans-60.7-52172.4-172.30000111.2L291 L429 L430 L435 S436 F437 I453L291-C433 HydrophobicContact CD1-CB 4.23Å; L429-C433 VanDerWaalsContact O-CB 3.24Å; L429-C433 WeakPolarHBondContact O-CB 3.38Å; L429-C433 PolarHBondContact O-N 2.67Å; L430-C433 WeakPolarHBondContact O-CB 3.2Å; L430-C433 PolarHBondContact O-N 3.09Å; L430-C433 VanDerWaalsContact O-N 3.17Å; C433-L435 VanDerWaalsContact C-N 3.32Å; C433-L435 PolarHBondContact O-N 3.1Å; C433-S436 PolarHBondContact O-N 3.39Å; C433-S436 VanDerWaalsContact O-N 3.1Å; C433-F437 PolarHBondContact O-N 2.75Å; C433-I453 HydrophobicContact CB-CD1 4.23Å
434L90.1Very high88.9Confident25 Ų2534.9 Ų34.913%0.13122%0.221CC..Hα-helixtrans-65.5-31.7179.7-63.8172000113.1L430 S431 F437 L440 K446L430-L434 HydrophobicContact CD1-CD1 4.04Å; L430-L434 HydrophobicContact CD1-CG 4.12Å; L430-L434 HydrophobicContact CG-CD1 3.92Å; L430-L434 HydrophobicContact CG-CG 4.39Å; L430-L434 VanDerWaalsContact O-CG 3.27Å; L430-L434 WeakPolarHBondContact O-CG 3.37Å; L430-L434 PolarHBondContact O-N 3.46Å; S431-L434 PolarHBondContact O-N 2.85Å; L434-F437 CarbonylContact O-C 3.55Å; L434-L440 HydrophobicContact CD2-CB 3.87Å; L434-L440 WeakPolarHBondContact CD2-O 3.33Å; L434-K446 HydrophobicContact CD1-CD 4.3Å; L434-K446 HydrophobicContact CD1-CG 3.89Å; L434-K446 HydrophobicContact CD2-CG 3.88Å
435L86.4Confident88.7Confident73 Ų7334.5 Ų34.538%0.38221%0.208SC..Hα-helixtrans-69.6-33172.4-76168.7000112.8F231 Y248 S431 L432 C433F231-L435 HydrophobicContact CE1-CD1 3.98Å; F231-L435 HydrophobicContact CZ-CD1 3.58Å; Y248-L435 HydrophobicContact CD2-CB 4.17Å; Y248-L435 HydrophobicContact CE2-CB 3.89Å; S431-L435 WeakPolarHBondContact O-CB 3.49Å; S431-L435 VanDerWaalsContact O-CG 3.23Å; S431-L435 WeakPolarHBondContact O-CG 3.37Å; S431-L435 PolarHBondContact O-N 2.85Å; L432-L435 HydrophobicContact CD2-CD1 4.41Å; C433-L435 VanDerWaalsContact C-N 3.32Å; C433-L435 PolarHBondContact O-N 3.1Å
436S84.8Confident88.5Confident3 Ų337.9 Ų37.92%0.02122%0.222CC..Hα-helixtrans-79.1-43178.7-51.60000111.2V251 R265 L432 C433V251-S436 WeakPolarHBondContact CG1-OG 3.42Å; R265-S436 PolarHBondContact NH1-O 3.07Å; L432-S436 WeakPolarHBondContact O-CB 3.3Å; L432-S436 PolarHBondContact O-N 2.72Å; L432-S436 PolarHBondContact O-OG 2.65Å; C433-S436 PolarHBondContact O-N 3.39Å; C433-S436 VanDerWaalsContact O-N 3.1Å
437F85.8Confident88.3Confident0 Ų041.1 Ų41.10%024%0.24CC..  trans-112.676.8-178.1-60.8-84.5000110.4W260 P261 R265 L280 L284 C433 L434 C439 L440W260-F437 HydrophobicContact CH2-CZ 4.05Å; W260-F437 HydrophobicContact CZ3-CE1 4.22Å; W260-F437 AromaticContact CZ3-CZ 3.89Å; W260-F437 HydrophobicContact CZ3-CZ 3.89Å; P261-F437 HydrophobicContact CB-CE1 3.96Å; P261-F437 HydrophobicContact CB-CZ 4.1Å; R265-F437 HydrophobicContact CG-CD1 3.98Å; L280-F437 HydrophobicContact CD1-CD1 4.41Å; L280-F437 HydrophobicContact CD1-CE1 3.92Å; L280-F437 HydrophobicContact CD1-CZ 4.37Å; L280-F437 HydrophobicContact CD2-CD1 3.84Å; L280-F437 HydrophobicContact CD2-CE1 4.2Å; L280-F437 HydrophobicContact CD2-CG 4.37Å; L284-F437 HydrophobicContact CD1-CD2 4.15Å; L284-F437 HydrophobicContact CD1-CE2 3.45Å; L284-F437 VanDerWaalsContact CD1-CE2 3.45Å; L284-F437 HydrophobicContact CD1-CZ 4.02Å; C433-F437 PolarHBondContact O-N 2.75Å; L434-F437 CarbonylContact O-C 3.55Å; F437-C439 PolarHBondContact O-N 2.87Å; F437-L440 HydrophobicContact CB-CB 4.49Å; F437-L440 HydrophobicContact CB-CD1 3.67Å; F437-L440 HydrophobicContact CB-CG 3.78Å; F437-L440 HydrophobicContact CG-CD1 4.33Å; F437-L440 WeakPolarHBondContact O-CB 3.34Å; F437-L440 PolarHBondContact O-N 3.37Å
438D84.6Confident88.2Confident85 Ų8539 Ų3946%0.45523%0.228SC..G310 helixtrans-53.1-27.2179.571-31.8000114.3K269 L440 N441K269-D438 IonicContact NZ-OD1 3.2Å; K269-D438 PolarHBondContact NZ-OD1 3.44Å; K269-D438 IonicContact NZ-OD2 2.78Å; K269-D438 PolarHBondContact NZ-OD2 3.43Å; D438-L440 PolarHBondContact O-N 3.33Å; D438-N441 WeakPolarHBondContact O-CB 3.36Å; D438-N441 PolarHBondContact O-N 2.75Å
439C81.6Confident88.1Confident15 Ų1537.9 Ų37.910%0.10122%0.223CC..G310 helixtrans-67-15.1174.158.90000115I268 K269 F437I268-C439 HydrophobicContact CB-CB 4.43Å; I268-C439 HydrophobicContact CG2-CB 4Å; K269-C439 HydrophobicContact CG-CB 4.07Å; F437-C439 PolarHBondContact O-N 2.87Å
440L84.3Confident88.1Confident0 Ų038.2 Ų38.20%022%0.224CC..G310 helixtrans-90.8-2.6177.5-55.8-176.1000112.9I268 V277 L280 L281 L434 F437 D438 T442 Y445I268-L440 HydrophobicContact CD1-CD2 4.38Å; V277-L440 HydrophobicContact CB-CD2 4.29Å; V277-L440 HydrophobicContact CG1-CD2 3.64Å; V277-L440 HydrophobicContact CG2-CD2 3.74Å; L280-L440 HydrophobicContact CD2-CD1 4.36Å; L280-L440 HydrophobicContact CD2-CD2 4.47Å; L281-L440 HydrophobicContact CD2-CD1 4.27Å; L434-L440 HydrophobicContact CD2-CB 3.87Å; L434-L440 WeakPolarHBondContact CD2-O 3.33Å; F437-L440 HydrophobicContact CB-CB 4.49Å; F437-L440 HydrophobicContact CB-CD1 3.67Å; F437-L440 HydrophobicContact CB-CG 3.78Å; F437-L440 HydrophobicContact CG-CD1 4.33Å; F437-L440 WeakPolarHBondContact O-CB 3.34Å; F437-L440 PolarHBondContact O-N 3.37Å; D438-L440 PolarHBondContact O-N 3.33Å; L440-T442 PolarHBondContact O-N 3.33Å; L440-Y445 WeakPolarHBondContact O-CB 3.27Å
441N84.8Confident87.9Confident97 Ų9737.5 Ų37.552%0.51922%0.223SC..  trans-79.343.5-177.3-164.89.6000113.4D438 K446D438-N441 WeakPolarHBondContact O-CB 3.36Å; D438-N441 PolarHBondContact O-N 2.75Å; N441-K446 WeakPolarHBondContact OD1-CE 3.24Å; N441-K446 PolarHBondContact OD1-NZ 3.34Å
442T88Confident88Confident66 Ų6636.5 Ų36.541%0.40522%0.216SC..SBendtrans-112.4157.7168.668.80000108.7L440 Y445 K446L440-T442 PolarHBondContact O-N 3.33Å; T442-Y445 HydrophobicContact CG2-CD2 4.25Å; T442-Y445 PolarHBondContact O-N 3.01Å; T442-Y445 WeakPolarHBondContact OG1-CB 3.22Å; T442-Y445 WeakPolarHBondContact OG1-CD2 3.44Å; T442-Y445 VanDerWaalsContact OG1-CG 3.25Å; T442-Y445 PolarHBondContact OG1-N 2.76Å; T442-K446 VanDerWaalsContact O-CG 3.26Å; T442-K446 WeakPolarHBondContact O-CG 3.46Å; T442-K446 PolarHBondContact O-N 3.41Å
443A86.8Confident88.2Confident74 Ų7437 Ų3761%0.61222%0.218SC*.Hα-helixtrans-54.9-59.1-178.400000112Y445 K446 D447A443-Y445 VanDerWaalsContact C-N 3.27Å; A443-Y445 PolarHBondContact O-N 3.38Å; A443-Y445 VanDerWaalsContact O-N 3.14Å; A443-K446 WeakPolarHBondContact O-CB 3.41Å; A443-K446 PolarHBondContact O-N 3.47Å; A443-D447 VanDerWaalsContact O-CG 3.31Å; A443-D447 PolarHBondContact O-N 3.38Å; A443-D447 VanDerWaalsContact O-N 3.16Å
444A86.7Confident88.2Confident67 Ų6737.1 Ų37.155%0.55422%0.219SC*.Hα-helixtrans-58.3-32.3-17900000114.5L448A444-L448 WeakPolarHBondContact O-CB 3.43Å; A444-L448 PolarHBondContact O-N 3.03Å
445Y89.2Confident88.4Confident30 Ų3039.1 Ų39.112%0.11823%0.227CC..Hα-helixtrans-83.5-21.2177.5-59.9-23.6000113.2P272 D273 V277 L440 T442 A443 L448 S449P272-Y445 WeakPolarHBondContact CA-OH 3.46Å; P272-Y445 HydrophobicContact CB-CE2 4.47Å; P272-Y445 VanDerWaalsContact CB-OH 3.31Å; P272-Y445 WeakPolarHBondContact CB-OH 3.46Å; P272-Y445 PolarHBondContact O-OH 3.02Å; D273-Y445 PolarHBondContact N-OH 2.93Å; V277-Y445 HydrophobicContact CG2-CD1 3.95Å; V277-Y445 HydrophobicContact CG2-CD2 4.21Å; V277-Y445 HydrophobicContact CG2-CE1 4.02Å; V277-Y445 HydrophobicContact CG2-CE2 4.28Å; V277-Y445 HydrophobicContact CG2-CG 4.07Å; L440-Y445 WeakPolarHBondContact O-CB 3.27Å; T442-Y445 HydrophobicContact CG2-CD2 4.25Å; T442-Y445 PolarHBondContact O-N 3.01Å; T442-Y445 WeakPolarHBondContact OG1-CB 3.22Å; T442-Y445 WeakPolarHBondContact OG1-CD2 3.44Å; T442-Y445 VanDerWaalsContact OG1-CG 3.25Å; T442-Y445 PolarHBondContact OG1-N 2.76Å; A443-Y445 VanDerWaalsContact C-N 3.27Å; A443-Y445 PolarHBondContact O-N 3.38Å; A443-Y445 VanDerWaalsContact O-N 3.14Å; Y445-L448 HydrophobicContact CD1-CD2 4.44Å; Y445-S449 VanDerWaalsContact O-CB 3.24Å; Y445-S449 WeakPolarHBondContact O-CB 3.25Å; Y445-S449 PolarHBondContact O-N 3.36Å; Y445-S449 PolarHBondContact O-OG 3.21Å
446K90.4Very high88.7Confident73 Ų7337 Ų3732%0.31722%0.221SC..Hα-helixtrans-66.9-49.4168.5-74172.8-175.6-172.50110.7L434 N441 T442 A443 L448 S449 L450L434-K446 HydrophobicContact CD1-CD 4.3Å; L434-K446 HydrophobicContact CD1-CG 3.89Å; L434-K446 HydrophobicContact CD2-CG 3.88Å; N441-K446 WeakPolarHBondContact OD1-CE 3.24Å; N441-K446 PolarHBondContact OD1-NZ 3.34Å; T442-K446 VanDerWaalsContact O-CG 3.26Å; T442-K446 WeakPolarHBondContact O-CG 3.46Å; T442-K446 PolarHBondContact O-N 3.41Å; A443-K446 WeakPolarHBondContact O-CB 3.41Å; A443-K446 PolarHBondContact O-N 3.47Å; K446-L448 VanDerWaalsContact C-N 3.3Å; K446-L448 PolarHBondContact O-N 3.01Å; K446-S449 CarbonylContact O-C 3.59Å; K446-S449 WeakPolarHBondContact O-CB 3.37Å; K446-S449 PolarHBondContact O-N 3.37Å; K446-S449 VanDerWaalsContact O-N 3.07Å; K446-L450 WeakPolarHBondContact O-CB 3.22Å; K446-L450 PolarHBondContact O-N 3.42Å
447D89.1Confident89.2Confident72 Ų7236.9 Ų36.939%0.38522%0.22SC..Hα-helixtrans-60.4-44.1-178.9-50.3-27.5000110.2A443 S449 L450 G451 F602A443-D447 VanDerWaalsContact O-CG 3.31Å; A443-D447 PolarHBondContact O-N 3.38Å; A443-D447 VanDerWaalsContact O-N 3.16Å; D447-S449 PolarHBondContact O-N 3.21Å; D447-L450 PolarHBondContact O-N 3.33Å; D447-G451 PolarHBondContact O-N 2.94Å; D447-F602 HydrophobicContact CB-CZ 4.26Å
448L90.2Very high89.6Confident44 Ų4436.9 Ų36.923%0.2322%0.22CC..Hα-helixtrans-63.5-37.8174.4-165.463.4000113.3A274 V277 L278 A444 Y445 K446 C452A274-L448 HydrophobicContact CB-CD2 4.04Å; V277-L448 HydrophobicContact CB-CD2 3.85Å; V277-L448 HydrophobicContact CG1-CD2 3.66Å; V277-L448 HydrophobicContact CG1-CG 4.28Å; L278-L448 HydrophobicContact CD1-CD1 4.33Å; L278-L448 HydrophobicContact CD2-CD1 3.52Å; L278-L448 HydrophobicContact CD2-CD2 4.44Å; L278-L448 HydrophobicContact CD2-CG 3.9Å; L278-L448 HydrophobicContact CG-CD1 3.9Å; L278-L448 HydrophobicContact CG-CD2 4.19Å; L278-L448 HydrophobicContact CG-CG 4.2Å; A444-L448 WeakPolarHBondContact O-CB 3.43Å; A444-L448 PolarHBondContact O-N 3.03Å; Y445-L448 HydrophobicContact CD1-CD2 4.44Å; K446-L448 VanDerWaalsContact C-N 3.3Å; K446-L448 PolarHBondContact O-N 3.01Å; L448-C452 PolarHBondContact O-N 3.33Å; L448-C452 PolarHBondContact O-SG 3.31Å
449S91.4Very high90Very high0 Ų035.6 Ų35.60%022%0.215CC..Hα-helixtrans-69.5-41.5175.5-61.70000111.9Y445 K446 D447 C452 I453Y445-S449 VanDerWaalsContact O-CB 3.24Å; Y445-S449 WeakPolarHBondContact O-CB 3.25Å; Y445-S449 PolarHBondContact O-N 3.36Å; Y445-S449 PolarHBondContact O-OG 3.21Å; K446-S449 CarbonylContact O-C 3.59Å; K446-S449 WeakPolarHBondContact O-CB 3.37Å; K446-S449 PolarHBondContact O-N 3.37Å; K446-S449 VanDerWaalsContact O-N 3.07Å; D447-S449 PolarHBondContact O-N 3.21Å; S449-C452 PolarHBondContact O-N 3.16Å; S449-I453 WeakPolarHBondContact O-CB 3.5Å; S449-I453 WeakPolarHBondContact O-CD1 3.48Å; S449-I453 VanDerWaalsContact O-CG1 3.26Å; S449-I453 WeakPolarHBondContact O-CG1 3.49Å; S449-I453 PolarHBondContact O-N 3.14Å
450L91.6Very high90.5Very high12 Ų1236.8 Ų36.86%0.06322%0.223CC..Hα-helixtrans-61.1-50.8176.5177.658.3000110.2I426 L430 K446 D447 C452 I453 E454 H599 F602I426-L450 HydrophobicContact CG2-CD1 3.43Å; I426-L450 VanDerWaalsContact CG2-CD1 3.43Å; L430-L450 HydrophobicContact CD1-CB 4.5Å; L430-L450 HydrophobicContact CD2-CB 4.32Å; L430-L450 HydrophobicContact CD2-CD1 4.28Å; K446-L450 WeakPolarHBondContact O-CB 3.22Å; K446-L450 PolarHBondContact O-N 3.42Å; D447-L450 PolarHBondContact O-N 3.33Å; L450-C452 VanDerWaalsContact C-N 3.34Å; L450-C452 PolarHBondContact O-N 2.9Å; L450-I453 PolarHBondContact O-N 3.17Å; L450-I453 VanDerWaalsContact O-N 3.1Å; L450-E454 HydrophobicContact CD1-CG 4Å; L450-E454 VanDerWaalsContact CD1-OE1 3.24Å; L450-E454 WeakPolarHBondContact CD1-OE1 3.23Å; L450-E454 HydrophobicContact CG-CG 4.41Å; L450-E454 WeakPolarHBondContact CG-OE1 3.42Å; L450-E454 WeakPolarHBondContact O-CB 3.36Å; L450-E454 WeakPolarHBondContact O-CG 3.42Å; L450-E454 PolarHBondContact O-N 2.81Å; L450-H599 HydrophobicContact CD2-CB 4.19Å; L450-F602 HydrophobicContact CD2-CE2 4Å
451G90.2Very high91Very high10 Ų1036.8 Ų36.810%0.10322%0.223CC..Hα-helixtrans-58-40.4176.700000114.2D447 E455D447-G451 PolarHBondContact O-N 2.94Å; G451-E455 WeakPolarHBondContact O-CB 3.39Å; G451-E455 PolarHBondContact O-N 2.62Å
452C91.8Very high91.5Very high17 Ų1732.4 Ų32.412%0.11520%0.199CC..Hα-helixtrans-67.1-38.4175-67.50000113L278 L281 L285 L448 S449 L450 A456L278-C452 VanDerWaalsContact CD2-SG 3.5Å; L281-C452 HydrophobicContact CB-CB 4.03Å; L281-C452 HydrophobicContact CD1-CB 4Å; L281-C452 HydrophobicContact CG-CB 4.49Å; L285-C452 HydrophobicContact CD1-CB 4.38Å; L448-C452 PolarHBondContact O-N 3.33Å; L448-C452 PolarHBondContact O-SG 3.31Å; S449-C452 PolarHBondContact O-N 3.16Å; L450-C452 VanDerWaalsContact C-N 3.34Å; L450-C452 PolarHBondContact O-N 2.9Å; C452-A456 PolarHBondContact O-N 3.02Å
453I92.9Very high91.8Very high11 Ų1130.4 Ų30.46%0.05619%0.188CC..Hα-helixtrans-67.6-47.1176.5-71.7165.9000109.6I426 L429 L430 C433 S449 L450 A456 F457I426-I453 HydrophobicContact CG2-CG2 4.4Å; L429-I453 HydrophobicContact CB-CD1 4.49Å; L429-I453 HydrophobicContact CB-CG2 3.97Å; L429-I453 HydrophobicContact CD1-CG2 4.13Å; L430-I453 HydrophobicContact CB-CD1 4.19Å; L430-I453 HydrophobicContact CD1-CD1 4.11Å; C433-I453 HydrophobicContact CB-CD1 4.23Å; S449-I453 WeakPolarHBondContact O-CB 3.5Å; S449-I453 WeakPolarHBondContact O-CD1 3.48Å; S449-I453 VanDerWaalsContact O-CG1 3.26Å; S449-I453 WeakPolarHBondContact O-CG1 3.49Å; S449-I453 PolarHBondContact O-N 3.14Å; L450-I453 PolarHBondContact O-N 3.17Å; L450-I453 VanDerWaalsContact O-N 3.1Å; I453-A456 PolarHBondContact O-N 3.21Å; I453-F457 WeakPolarHBondContact O-CB 3.27Å; I453-F457 PolarHBondContact O-N 3.16Å
454E92.6Very high92.1Very high5 Ų527.2 Ų27.22%0.02316%0.16CC..Hα-helixtrans-60.1-47.1177.4-75.8-179.2-165.700112.2I426 L450 A456 F457 F458 Q532I426-E454 HydrophobicContact CD1-CG 4.26Å; I426-E454 HydrophobicContact CG2-CG 4.35Å; L450-E454 HydrophobicContact CD1-CG 4Å; L450-E454 VanDerWaalsContact CD1-OE1 3.24Å; L450-E454 WeakPolarHBondContact CD1-OE1 3.23Å; L450-E454 HydrophobicContact CG-CG 4.41Å; L450-E454 WeakPolarHBondContact CG-OE1 3.42Å; L450-E454 WeakPolarHBondContact O-CB 3.36Å; L450-E454 WeakPolarHBondContact O-CG 3.42Å; L450-E454 PolarHBondContact O-N 2.81Å; E454-A456 VanDerWaalsContact C-N 3.33Å; E454-A456 PolarHBondContact O-N 3.09Å; E454-F457 PolarHBondContact O-N 3.07Å; E454-F457 VanDerWaalsContact O-N 3.1Å; E454-F458 HydrophobicContact CB-CD2 4.03Å; E454-F458 HydrophobicContact CB-CE2 4.25Å; E454-F458 HydrophobicContact CG-CD2 4.37Å; E454-F458 HydrophobicContact CG-CE2 4.09Å; E454-F458 WeakPolarHBondContact O-CB 3.25Å; E454-F458 WeakPolarHBondContact O-CD2 3.27Å; E454-F458 PolarHBondContact O-N 2.97Å; E454-Q532 VanDerWaalsContact CD-NE2 3.32Å; E454-Q532 VanDerWaalsContact OE2-CG 3.3Å; E454-Q532 WeakPolarHBondContact OE2-CG 3.35Å; E454-Q532 PolarHBondContact OE2-NE2 2.7Å
455E92.8Very high92.5Very high67 Ų6724 Ų2431%0.31313%0.134SC..Hα-helixtrans-56.8-48177.3-179.2173.9-175.300111.2G451 F457 T459 C530 R533G451-E455 WeakPolarHBondContact O-CB 3.39Å; G451-E455 PolarHBondContact O-N 2.62Å; E455-F457 VanDerWaalsContact C-N 3.33Å; E455-F457 PolarHBondContact O-N 2.74Å; E455-T459 VanDerWaalsContact O-CB 3.23Å; E455-T459 WeakPolarHBondContact O-CB 3.45Å; E455-T459 PolarHBondContact O-N 2.95Å; E455-T459 PolarHBondContact O-OG1 3.07Å; E455-C530 HydrophobicContact CB-CB 4.48Å; E455-R533 IonicContact OE1-CZ 3.57Å; E455-R533 IonicContact OE1-NH1 3.58Å; E455-R533 PolarHBondContact OE1-NH1 3.26Å; E455-R533 IonicContact OE1-NH2 2.76Å; E455-R533 PolarHBondContact OE1-NH2 3.35Å; E455-R533 IonicContact OE2-CZ 2.78Å; E455-R533 IonicContact OE2-NH1 3.32Å; E455-R533 IonicContact OE2-NH2 3.59Å; E455-R533 PolarHBondContact OE2-NH2 2.68Å
456A93.1Very high92.8Very high30 Ų3023.1 Ų23.125%0.24813%0.131CC..Hα-helixtrans-67.1-33.417700000113.1L285 L295 Q299 C452 I453 E454L285-A456 HydrophobicContact CD1-CB 3.94Å; L285-A456 HydrophobicContact CD2-CB 3.7Å; L285-A456 HydrophobicContact CG-CB 4.39Å; L295-A456 HydrophobicContact CD1-CB 4.02Å; Q299-A456 PolarHBondContact NE2-O 3.41Å; C452-A456 PolarHBondContact O-N 3.02Å; I453-A456 PolarHBondContact O-N 3.21Å; E454-A456 VanDerWaalsContact C-N 3.33Å; E454-A456 PolarHBondContact O-N 3.09Å
457F95.1Very high92.9Very high0 Ų020.7 Ų20.70%013%0.125CC..Hα-helixtrans-75-49.3-177.1-169.4-88.4000112.4L295 H298 Q299 I302 V422 A425 I426 L429 I453 E454 E455 L461L295-F457 HydrophobicContact CG-CD2 4.38Å; H298-F457 HydrophobicContact CB-CE2 3.84Å; H298-F457 HydrophobicContact CB-CZ 4.39Å; Q299-F457 HydrophobicContact CG-CD2 4.35Å; Q299-F457 HydrophobicContact CG-CE2 4.49Å; Q299-F457 PolarHBondContact NE2-O 2.96Å; I302-F457 HydrophobicContact CD1-CE1 4.03Å; I302-F457 HydrophobicContact CD1-CZ 3.48Å; I302-F457 VanDerWaalsContact CD1-CZ 3.48Å; V422-F457 HydrophobicContact CB-CE1 4.46Å; V422-F457 HydrophobicContact CG1-CE1 3.9Å; V422-F457 HydrophobicContact CG2-CE1 4.27Å; A425-F457 HydrophobicContact CB-CE2 3.83Å; A425-F457 HydrophobicContact CB-CZ 3.79Å; I426-F457 HydrophobicContact CD1-CD1 4.19Å; I426-F457 HydrophobicContact CD1-CE1 4.4Å; I426-F457 HydrophobicContact CG1-CD1 4.19Å; I426-F457 HydrophobicContact CG1-CD2 4.41Å; I426-F457 HydrophobicContact CG1-CE1 4.35Å; I426-F457 HydrophobicContact CG1-CG 4.21Å; I426-F457 HydrophobicContact CG1-CZ 4.5Å; L429-F457 HydrophobicContact CD1-CD2 3.87Å; L429-F457 HydrophobicContact CD1-CE2 4.14Å; I453-F457 WeakPolarHBondContact O-CB 3.27Å; I453-F457 PolarHBondContact O-N 3.16Å; E454-F457 PolarHBondContact O-N 3.07Å; E454-F457 VanDerWaalsContact O-N 3.1Å; E455-F457 VanDerWaalsContact C-N 3.33Å; E455-F457 PolarHBondContact O-N 2.74Å; F457-L461 HydrophobicContact CD1-CD1 4.11Å; F457-L461 HydrophobicContact CE1-CD1 3.75Å; F457-L461 HydrophobicContact CZ-CD1 4.27Å
458F95.1Very high93.1Very high0 Ų017.3 Ų17.30%011%0.107CC..Hα-helixtrans-81.4-28.7-175.7-74.2-76.5000113.7V422 I426 E454 P460 L461 W462 L465 R529 P531 F597V422-F458 HydrophobicContact CG1-CE1 3.98Å; V422-F458 HydrophobicContact CG1-CZ 3.7Å; I426-F458 HydrophobicContact CD1-CE2 3.65Å; I426-F458 HydrophobicContact CD1-CZ 3.91Å; E454-F458 HydrophobicContact CB-CD2 4.03Å; E454-F458 HydrophobicContact CB-CE2 4.25Å; E454-F458 HydrophobicContact CG-CD2 4.37Å; E454-F458 HydrophobicContact CG-CE2 4.09Å; E454-F458 WeakPolarHBondContact O-CB 3.25Å; E454-F458 WeakPolarHBondContact O-CD2 3.27Å; E454-F458 PolarHBondContact O-N 2.97Å; F458-P460 VanDerWaalsContact O-N 3.14Å; F458-L461 CarbonylContact O-C 3.59Å; F458-L461 PolarHBondContact O-N 3.1Å; F458-W462 HydrophobicContact CD1-CE3 4.05Å; F458-W462 HydrophobicContact CD1-CZ3 4.36Å; F458-W462 PolarHBondContact O-N 2.84Å; F458-L465 HydrophobicContact CD1-CD1 3.78Å; F458-L465 HydrophobicContact CE1-CD1 3.85Å; F458-R529 WeakPolarHBondContact CB-O 3.44Å; F458-P531 HydrophobicContact CD1-CG 4.25Å; F458-P531 HydrophobicContact CD2-CG 3.65Å; F458-P531 HydrophobicContact CE1-CG 4.28Å; F458-P531 HydrophobicContact CE2-CG 3.69Å; F458-P531 HydrophobicContact CG-CG 3.96Å; F458-P531 HydrophobicContact CZ-CG 4.02Å; F458-F597 HydrophobicContact CE1-CB 4.31Å; F458-F597 AromaticContact CE1-CD1 3.93Å; F458-F597 HydrophobicContact CE1-CD1 3.93Å; F458-F597 AromaticContact CE1-CD2 3.98Å; F458-F597 HydrophobicContact CE1-CD2 3.98Å; F458-F597 HydrophobicContact CE1-CE1 4.22Å; F458-F597 HydrophobicContact CE1-CE2 4.27Å; F458-F597 AromaticContact CE1-CG 3.82Å; F458-F597 HydrophobicContact CE1-CG 3.82Å; F458-F597 HydrophobicContact CE1-CZ 4.41Å; F458-F597 HydrophobicContact CZ-CB 3.9Å; F458-F597 AromaticContact CZ-CD1 3.86Å; F458-F597 HydrophobicContact CZ-CD1 3.86Å; F458-F597 HydrophobicContact CZ-CD2 4.41Å; F458-F597 AromaticContact CZ-CG 3.82Å; F458-F597 HydrophobicContact CZ-CG 3.82Å
459T92.9Very high93.4Very high58 Ų5815.3 Ų15.336%0.35610%0.096SC..THydrogen-bonded Turntrans-48.6-42.8-177.9-71.10000115.7E455 R529E455-T459 VanDerWaalsContact O-CB 3.23Å; E455-T459 WeakPolarHBondContact O-CB 3.45Å; E455-T459 PolarHBondContact O-N 2.95Å; E455-T459 PolarHBondContact O-OG1 3.07Å; T459-R529 WeakPolarHBondContact O-CD 3.3Å; T459-R529 PolarHBondContact O-NH1 2.99Å; T459-R529 VanDerWaalsContact O-NH1 3.15Å
460P92.7Very high93.5Very high40 Ų4018.8 Ų18.826%0.2611%0.109SC..THydrogen-bonded Turntrans-89.5-9.4174.134.6-35.5000114.6F139 Q299 F458F139-P460 HydrophobicContact CE2-CB 4.1Å; F139-P460 HydrophobicContact CZ-CB 4.17Å; Q299-P460 HydrophobicContact CG-CG 4.49Å; F458-P460 VanDerWaalsContact O-N 3.14Å
461L94.5Very high93.5Very high0 Ų019.9 Ų19.90%011%0.113CC..THydrogen-bonded Turntrans-106.6-17.5-176.4-66.6-176.4000114.6F139 Q299 I302 Y303 F457 F458 S463 P464 L465F139-L461 HydrophobicContact CZ-CD2 4.13Å; Q299-L461 HydrophobicContact CB-CD1 4.38Å; Q299-L461 HydrophobicContact CB-CD2 4.45Å; Q299-L461 HydrophobicContact CB-CG 4.48Å; Q299-L461 HydrophobicContact CG-CD1 4.01Å; Q299-L461 HydrophobicContact CG-CG 4.24Å; I302-L461 HydrophobicContact CB-CD1 4.34Å; I302-L461 HydrophobicContact CD1-CD1 4.47Å; I302-L461 HydrophobicContact CG2-CD1 4.08Å; Y303-L461 HydrophobicContact CD2-CD2 4.29Å; F457-L461 HydrophobicContact CD1-CD1 4.11Å; F457-L461 HydrophobicContact CE1-CD1 3.75Å; F457-L461 HydrophobicContact CZ-CD1 4.27Å; F458-L461 CarbonylContact O-C 3.59Å; F458-L461 PolarHBondContact O-N 3.1Å; L461-S463 PolarHBondContact O-N 3.12Å; L461-P464 VanDerWaalsContact O-CD 3.23Å; L461-P464 WeakPolarHBondContact O-CD 3.38Å; L461-L465 HydrophobicContact CB-CD1 3.88Å; L461-L465 HydrophobicContact CB-CG 4.32Å; L461-L465 WeakPolarHBondContact O-CB 3.38Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.29Å
462W95.1Very high93.6Very high5 Ų520.3 Ų20.32%0.01911%0.113CC..Hα-helixtrans-58.2-50.7-171.6-171.7-103000112.4F458 L465 L466 R529 P531 K534 E590 A593 L594 F597F458-W462 HydrophobicContact CD1-CE3 4.05Å; F458-W462 HydrophobicContact CD1-CZ3 4.36Å; F458-W462 PolarHBondContact O-N 2.84Å; W462-L465 PolarHBondContact O-N 3.45Å; W462-L466 VanDerWaalsContact O-CB 3.27Å; W462-L466 WeakPolarHBondContact O-CB 3.48Å; W462-L466 PolarHBondContact O-N 2.78Å; W462-R529 HydrophobicContact CB-CB 3.8Å; W462-R529 HydrophobicContact CB-CG 4.24Å; W462-R529 HydrophobicContact CG-CB 4.23Å; W462-P531 HydrophobicContact CE3-CG 4.47Å; W462-P531 HydrophobicContact CZ3-CG 3.91Å; W462-K534 HydrophobicContact CH2-CD 4.2Å; W462-K534 HydrophobicContact CZ2-CD 3.77Å; W462-E590 VanDerWaalsContact CZ2-OE2 3.23Å; W462-E590 WeakPolarHBondContact CZ2-OE2 3.49Å; W462-E590 PolarHBondContact NE1-OE1 3.02Å; W462-E590 PolarHBondContact NE1-OE2 3.22Å; W462-A593 HydrophobicContact CH2-CB 3.6Å; W462-A593 HydrophobicContact CZ2-CB 4.1Å; W462-A593 HydrophobicContact CZ3-CB 4.43Å; W462-L594 HydrophobicContact CH2-CD2 4.27Å; W462-F597 HydrophobicContact CH2-CD2 4.44Å; W462-F597 AromaticContact CZ3-CD2 3.98Å; W462-F597 HydrophobicContact CZ3-CD2 3.98Å; W462-F597 HydrophobicContact CZ3-CE2 4.42Å
463S93.5Very high93.6Very high24 Ų2420.5 Ų20.517%0.16811%0.113CC..Hα-helixtrans-64.3-42.7-179.1-40.20000113L461 A467L461-S463 PolarHBondContact O-N 3.12Å; S463-A467 WeakPolarHBondContact O-CB 3.47Å; S463-A467 PolarHBondContact O-N 2.8Å
464P93.5Very high93.6Very high6 Ų623.7 Ų23.74%0.03913%0.125CC..Hα-helixtrans-57.7-43167.5-29.335.5000115.2F133 Y303 L306 I310 L461 A467 L468F133-P464 HydrophobicContact CD1-CG 3.98Å; F133-P464 HydrophobicContact CE1-CB 4.44Å; F133-P464 HydrophobicContact CE1-CG 3.81Å; Y303-P464 HydrophobicContact CD2-CB 4.36Å; Y303-P464 HydrophobicContact CD2-CG 4.01Å; Y303-P464 HydrophobicContact CE2-CB 4.3Å; Y303-P464 HydrophobicContact CE2-CG 3.68Å; L306-P464 HydrophobicContact CD1-CB 3.83Å; I310-P464 HydrophobicContact CD1-CB 4.09Å; L461-P464 VanDerWaalsContact O-CD 3.23Å; L461-P464 WeakPolarHBondContact O-CD 3.38Å; P464-A467 PolarHBondContact O-N 3.29Å; P464-L468 PolarHBondContact O-N 2.79Å
465L95.3Very high93.5Very high1 Ų129.2 Ų29.21%0.00515%0.15CC..Hα-helixtrans-67-49.7178.7-73.1168.6000110.8I302 L306 I418 F458 L461 W462 A467 L468 F469 F597I302-L465 HydrophobicContact CG2-CD2 4.32Å; L306-L465 HydrophobicContact CD1-CD2 3.73Å; L306-L465 HydrophobicContact CD1-CG 4.02Å; L306-L465 HydrophobicContact CD2-CD2 4.25Å; I418-L465 HydrophobicContact CG2-CD2 3.64Å; F458-L465 HydrophobicContact CD1-CD1 3.78Å; F458-L465 HydrophobicContact CE1-CD1 3.85Å; L461-L465 HydrophobicContact CB-CD1 3.88Å; L461-L465 HydrophobicContact CB-CG 4.32Å; L461-L465 WeakPolarHBondContact O-CB 3.38Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.29Å; W462-L465 PolarHBondContact O-N 3.45Å; L465-A467 VanDerWaalsContact C-N 3.25Å; L465-A467 PolarHBondContact O-N 2.92Å; L465-L468 WeakPolarHBondContact O-CA 3.34Å; L465-L468 VanDerWaalsContact O-CB 3.26Å; L465-L468 WeakPolarHBondContact O-CB 3.37Å; L465-L468 PolarHBondContact O-N 3.24Å; L465-F469 WeakPolarHBondContact O-CD2 3.35Å; L465-F469 PolarHBondContact O-N 2.72Å; L465-F469 VanDerWaalsContact O-N 3.07Å; L465-F597 HydrophobicContact CB-CE2 4.48Å; L465-F597 HydrophobicContact CD1-CE2 4.22Å; L465-F597 HydrophobicContact CD1-CZ 4.06Å; L465-F597 HydrophobicContact CD2-CZ 4.02Å; L465-F597 HydrophobicContact CG-CZ 4.47Å
466L94.8Very high93.5Very high10 Ų1031.1 Ų31.15%0.05215%0.154CC..Hα-helixtrans-57.5-39.3176.2-174.471.8000111.4W462 L468 F469 R470 E590W462-L466 VanDerWaalsContact O-CB 3.27Å; W462-L466 WeakPolarHBondContact O-CB 3.48Å; W462-L466 PolarHBondContact O-N 2.78Å; L466-L468 PolarHBondContact O-N 3.34Å; L466-F469 PolarHBondContact O-N 3.39Å; L466-F469 VanDerWaalsContact O-N 3.14Å; L466-R470 HydrophobicContact CG-CG 4.26Å; L466-R470 WeakPolarHBondContact O-CB 3.37Å; L466-R470 VanDerWaalsContact O-CG 3.29Å; L466-R470 WeakPolarHBondContact O-CG 3.31Å; L466-R470 PolarHBondContact O-N 2.83Å; L466-E590 HydrophobicContact CD1-CG 3.88Å; L466-E590 WeakPolarHBondContact CD2-OE1 3.45Å
467A93.3Very high93.6Very high23 Ų2330.3 Ų30.319%0.1915%0.146CC..Hα-helixtrans-60.8-30.117400000112.9F133 I310 S463 P464 L465 R471F133-A467 HydrophobicContact CE2-CB 4.15Å; F133-A467 HydrophobicContact CZ-CB 4.03Å; I310-A467 HydrophobicContact CB-CB 4.47Å; I310-A467 HydrophobicContact CG2-CB 3.85Å; S463-A467 WeakPolarHBondContact O-CB 3.47Å; S463-A467 PolarHBondContact O-N 2.8Å; P464-A467 PolarHBondContact O-N 3.29Å; L465-A467 VanDerWaalsContact C-N 3.25Å; L465-A467 PolarHBondContact O-N 2.92Å; A467-R471 WeakPolarHBondContact O-CD 3.48Å; A467-R471 WeakPolarHBondContact O-CG 3.19Å; A467-R471 PolarHBondContact O-N 2.87Å
468L93.6Very high93.5Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-71.6-47.1170.4-176.168.2000111.7L306 I309 L411 L415 I418 P464 L465 L466 R470 R471 V472L306-L468 HydrophobicContact CD2-CB 3.91Å; L306-L468 HydrophobicContact CD2-CD2 3.79Å; L306-L468 HydrophobicContact CD2-CG 4.4Å; I309-L468 HydrophobicContact CD1-CD1 4.46Å; I309-L468 HydrophobicContact CG2-CD1 3.67Å; L411-L468 HydrophobicContact CD2-CD1 3.62Å; L415-L468 HydrophobicContact CB-CD2 4.11Å; L415-L468 HydrophobicContact CB-CG 4.49Å; L415-L468 HydrophobicContact CD1-CD2 3.7Å; L415-L468 HydrophobicContact CD1-CG 4.18Å; I418-L468 HydrophobicContact CD1-CD2 3.71Å; P464-L468 PolarHBondContact O-N 2.79Å; L465-L468 WeakPolarHBondContact O-CA 3.34Å; L465-L468 VanDerWaalsContact O-CB 3.26Å; L465-L468 WeakPolarHBondContact O-CB 3.37Å; L465-L468 PolarHBondContact O-N 3.24Å; L466-L468 PolarHBondContact O-N 3.34Å; L468-R470 PolarHBondContact O-N 2.8Å; L468-R471 WeakPolarHBondContact O-CB 3.48Å; L468-R471 PolarHBondContact O-N 3.13Å; L468-V472 PolarHBondContact O-N 3.17Å
469F94.9Very high93.3Very high3 Ų339.1 Ų39.11%0.01319%0.189CC..Hα-helixtrans-56.5-47.9176.1-84-94.3000111.6L415 V419 L465 L466 R471 V472 L473 A592 A593 E596 F597L415-F469 HydrophobicContact CD1-CD2 3.95Å; L415-F469 HydrophobicContact CD1-CE1 4.25Å; L415-F469 HydrophobicContact CD1-CE2 3.53Å; L415-F469 HydrophobicContact CD1-CG 4.47Å; L415-F469 HydrophobicContact CD1-CZ 3.7Å; L415-F469 HydrophobicContact CD2-CD1 4.2Å; L415-F469 HydrophobicContact CD2-CE1 4.03Å; L415-F469 HydrophobicContact CD2-CZ 4.29Å; L415-F469 HydrophobicContact CG-CZ 4.47Å; V419-F469 HydrophobicContact CG2-CZ 4.31Å; L465-F469 WeakPolarHBondContact O-CD2 3.35Å; L465-F469 PolarHBondContact O-N 2.72Å; L465-F469 VanDerWaalsContact O-N 3.07Å; L466-F469 PolarHBondContact O-N 3.39Å; L466-F469 VanDerWaalsContact O-N 3.14Å; F469-R471 PolarHBondContact O-N 2.95Å; F469-V472 PolarHBondContact O-N 3.35Å; F469-L473 HydrophobicContact CB-CD1 4.46Å; F469-L473 HydrophobicContact CD1-CD1 4.19Å; F469-L473 WeakPolarHBondContact O-CB 3.49Å; F469-L473 PolarHBondContact O-N 3.31Å; F469-A592 HydrophobicContact CD1-CB 4.13Å; F469-A592 HydrophobicContact CE1-CB 4.35Å; F469-A593 HydrophobicContact CD1-CB 4.02Å; F469-A593 HydrophobicContact CD2-CB 3.87Å; F469-A593 HydrophobicContact CE1-CB 3.94Å; F469-A593 HydrophobicContact CE2-CB 3.79Å; F469-A593 HydrophobicContact CG-CB 4Å; F469-A593 HydrophobicContact CZ-CB 3.82Å; F469-E596 HydrophobicContact CE1-CB 4.39Å; F469-E596 HydrophobicContact CE1-CG 4.14Å; F469-E596 HydrophobicContact CZ-CB 4.04Å; F469-E596 HydrophobicContact CZ-CG 4.21Å; F469-F597 HydrophobicContact CD2-CE2 4.49Å; F469-F597 HydrophobicContact CE2-CD2 4.46Å; F469-F597 AromaticContact CE2-CE2 3.5Å; F469-F597 HydrophobicContact CE2-CE2 3.5Å; F469-F597 VanDerWaalsContact CE2-CE2 3.5Å; F469-F597 AromaticContact CE2-CZ 3.83Å; F469-F597 HydrophobicContact CE2-CZ 3.83Å; F469-F597 AromaticContact CZ-CE2 3.98Å; F469-F597 HydrophobicContact CZ-CE2 3.98Å; F469-F597 HydrophobicContact CZ-CZ 4.3Å
470R93.8Very high93.3Very high72 Ų7236.4 Ų36.427%0.27217%0.172SC..Hα-helixtrans-62.1-26.6176-64.5-176.178.6171.12.7113.4L466 L468 R474 E477 S589L466-R470 HydrophobicContact CG-CG 4.26Å; L466-R470 WeakPolarHBondContact O-CB 3.37Å; L466-R470 VanDerWaalsContact O-CG 3.29Å; L466-R470 WeakPolarHBondContact O-CG 3.31Å; L466-R470 PolarHBondContact O-N 2.83Å; L468-R470 PolarHBondContact O-N 2.8Å; R470-R474 WeakPolarHBondContact O-CA 3.41Å; R470-R474 PolarHBondContact O-N 3.48Å; R470-E477 WeakPolarHBondContact CG-OE2 3.49Å; R470-E477 IonicContact CZ-OE1 3.01Å; R470-E477 IonicContact NE-OE1 3.12Å; R470-E477 PolarHBondContact NE-OE1 3.01Å; R470-E477 IonicContact NE-OE2 2.75Å; R470-E477 IonicContact NH2-OE1 3.91Å; R470-E477 PolarHBondContact NH2-OE1 3.08Å; R470-S589 WeakPolarHBondContact CA-OG 3.42Å; R470-S589 VanDerWaalsContact CG-CB 3.47Å; R470-S589 WeakPolarHBondContact CG-OG 3.28Å
471R91.4Very high93.4Very high35 Ų3538.9 Ų38.913%0.13218%0.181CC..Hα-helixtrans-77-34.1172.6-73.9172.2112.8-97.2-2.3112.5I309 Q312 L411 A467 L468 F469 R474I309-R471 VanDerWaalsContact CG2-NH1 3.32Å; I309-R471 PolarHBondContact O-NE 3.49Å; I309-R471 VanDerWaalsContact O-NE 3.17Å; I309-R471 PolarHBondContact O-NH1 3.03Å; I309-R471 PolarHBondContact O-NH2 3.24Å; Q312-R471 PolarHBondContact O-NH2 2.9Å; L411-R471 HydrophobicContact CD1-CB 4.42Å; L411-R471 HydrophobicContact CD2-CB 4.12Å; A467-R471 WeakPolarHBondContact O-CD 3.48Å; A467-R471 WeakPolarHBondContact O-CG 3.19Å; A467-R471 PolarHBondContact O-N 2.87Å; L468-R471 WeakPolarHBondContact O-CB 3.48Å; L468-R471 PolarHBondContact O-N 3.13Å; F469-R471 PolarHBondContact O-N 2.95Å; R471-R474 PolarHBondContact O-NH1 3.47Å
472V92.8Very high93.3Very high19 Ų1945.2 Ų45.212%0.11520%0.204CC..Hα-helixtrans-73.3-39.9173.7173.60000111.9L411 K412 L415 L468 F469L411-V472 HydrophobicContact CD2-CB 4.42Å; L411-V472 HydrophobicContact CD2-CG2 3.29Å; K412-V472 HydrophobicContact CD-CG1 4.49Å; K412-V472 HydrophobicContact CG-CG1 3.68Å; L415-V472 HydrophobicContact CB-CG2 4.2Å; L415-V472 HydrophobicContact CD2-CB 4.32Å; L415-V472 HydrophobicContact CD2-CG1 4.3Å; L415-V472 HydrophobicContact CD2-CG2 3.86Å; L468-V472 PolarHBondContact O-N 3.17Å; F469-V472 PolarHBondContact O-N 3.35Å
473L92.7Very high93.1Very high22 Ų2245.3 Ų45.312%0.11521%0.205CC..SBendtrans-99.211.6-171.4-64.4163.8000113.1F469 E475 R476 E477 L588 A592F469-L473 HydrophobicContact CB-CD1 4.46Å; F469-L473 HydrophobicContact CD1-CD1 4.19Å; F469-L473 WeakPolarHBondContact O-CB 3.49Å; F469-L473 PolarHBondContact O-N 3.31Å; L473-E475 PolarHBondContact O-N 3.29Å; L473-R476 WeakPolarHBondContact O-CB 3.44Å; L473-R476 PolarHBondContact O-N 3.16Å; L473-R476 VanDerWaalsContact O-N 3.08Å; L473-E477 PolarHBondContact O-N 3.44Å; L473-L588 HydrophobicContact CB-CD2 4.05Å; L473-L588 HydrophobicContact CD1-CD2 4.07Å; L473-L588 HydrophobicContact CD2-CD2 4.21Å; L473-L588 HydrophobicContact CG-CD2 4.33Å; L473-A592 HydrophobicContact CD1-CB 3.56Å
474R92Very high93Very high78 Ų7844.5 Ų44.529%0.29420%0.199SC..Hα-helixtrans-47.9-51.8-173.6-176.5-176.1-6598.6-0.1113.7R470 R471 R476 E477 Q478R470-R474 WeakPolarHBondContact O-CA 3.41Å; R470-R474 PolarHBondContact O-N 3.48Å; R471-R474 PolarHBondContact O-NH1 3.47Å; R474-R476 PolarHBondContact O-N 3.03Å; R474-E477 PolarHBondContact O-N 3.11Å; R474-Q478 WeakPolarHBondContact O-CG 3.47Å; R474-Q478 PolarHBondContact O-N 2.94Å
475E91.3Very high92.9Very high121 Ų12148.6 Ų48.657%0.56522%0.224SC*.Hα-helixtrans-60.5-45.2-178.5-59-53.4119.200111.8L473 Q478 L479L473-E475 PolarHBondContact O-N 3.29Å; E475-Q478 PolarHBondContact O-N 3.49Å; E475-L479 WeakPolarHBondContact O-CG 3.48Å; E475-L479 PolarHBondContact O-N 3.32Å
476R92.9Very high92.6Very high106 Ų10651.3 Ų51.340%0.424%0.238SC..Hα-helixtrans-62.2-46.2176.7-74.4-170.969-169.43.4111.6L473 R474 Q478 L479 F480 L588 E622L473-R476 WeakPolarHBondContact O-CB 3.44Å; L473-R476 PolarHBondContact O-N 3.16Å; L473-R476 VanDerWaalsContact O-N 3.08Å; R474-R476 PolarHBondContact O-N 3.03Å; R476-Q478 VanDerWaalsContact C-N 3.33Å; R476-Q478 PolarHBondContact O-N 3.42Å; R476-L479 PolarHBondContact O-N 3.24Å; R476-F480 WeakPolarHBondContact O-CB 3.34Å; R476-F480 PolarHBondContact O-N 3.17Å; R476-L588 HydrophobicContact CB-CD1 3.96Å; R476-L588 HydrophobicContact CB-CD2 4.07Å; R476-E622 WeakPolarHBondContact CB-OE1 3.39Å; R476-E622 VanDerWaalsContact CG-OE1 3.26Å; R476-E622 WeakPolarHBondContact CG-OE1 3.47Å; R476-E622 IonicContact CZ-OE1 2.62Å; R476-E622 IonicContact CZ-OE2 3.16Å; R476-E622 IonicContact NE-OE1 2.75Å; R476-E622 PolarHBondContact NE-OE1 3.24Å; R476-E622 IonicContact NE-OE2 2.69Å; R476-E622 PolarHBondContact NE-OE2 3.05Å; R476-E622 IonicContact NH2-OE1 3.95Å; R476-E622 IonicContact NH2-OE2 3.28Å; R476-E622 PolarHBondContact NH2-OE2 3.43Å
477E94.1Very high92.3Very high14 Ų1452 Ų527%0.06524%0.24CC..Hα-helixtrans-65.1-35.3179.1-165.1171.2124.800112.2R470 L473 R474 Q481 P585 S589R470-E477 WeakPolarHBondContact CG-OE2 3.49Å; R470-E477 IonicContact CZ-OE1 3.01Å; R470-E477 IonicContact NE-OE1 3.12Å; R470-E477 PolarHBondContact NE-OE1 3.01Å; R470-E477 IonicContact NE-OE2 2.75Å; R470-E477 IonicContact NH2-OE1 3.91Å; R470-E477 PolarHBondContact NH2-OE1 3.08Å; L473-E477 PolarHBondContact O-N 3.44Å; R474-E477 PolarHBondContact O-N 3.11Å; E477-Q481 VanDerWaalsContact O-CB 3.26Å; E477-Q481 WeakPolarHBondContact O-CB 3.49Å; E477-Q481 PolarHBondContact O-N 3.3Å; E477-P585 HydrophobicContact CG-CB 4.1Å; E477-P585 WeakPolarHBondContact CG-O 3.48Å; E477-S589 WeakPolarHBondContact OE2-CB 3.48Å; E477-S589 PolarHBondContact OE2-OG 3.45Å
478Q93Very high91.8Very high102 Ų10253.3 Ų53.348%0.47725%0.247SC..Hα-helixtrans-67.6-41.9173.3-74.6177.910.700112.8R474 E475 R476 Q481 R482R474-Q478 WeakPolarHBondContact O-CG 3.47Å; R474-Q478 PolarHBondContact O-N 2.94Å; E475-Q478 PolarHBondContact O-N 3.49Å; R476-Q478 VanDerWaalsContact C-N 3.33Å; R476-Q478 PolarHBondContact O-N 3.42Å; Q478-Q481 PolarHBondContact O-N 3.28Å; Q478-R482 WeakPolarHBondContact O-CB 3.27Å; Q478-R482 PolarHBondContact O-N 2.98Å
479L91.8Very high91.4Very high83 Ų8357.5 Ų57.544%0.43528%0.276SS..Hα-helixtrans-62.3-46.6173.9-69.8173.4000111.1E475 R476 R482 N483E475-L479 WeakPolarHBondContact O-CG 3.48Å; E475-L479 PolarHBondContact O-N 3.32Å; R476-L479 PolarHBondContact O-N 3.24Å; L479-R482 WeakPolarHBondContact O-CB 3.49Å; L479-R482 PolarHBondContact O-N 2.94Å; L479-N483 PolarHBondContact O-N 3.14Å
480F93.1Very high91Very high0 Ų057.5 Ų57.50%028%0.277CS..Hα-helixtrans-60.1-46175.7-178.5-110.3000111.9R476 R482 N483 M484 L579 P585 L588 L618 V621 E622R476-F480 WeakPolarHBondContact O-CB 3.34Å; R476-F480 PolarHBondContact O-N 3.17Å; F480-R482 PolarHBondContact O-N 3.04Å; F480-N483 PolarHBondContact O-N 3.15Å; F480-M484 HydrophobicContact CD1-CE 4.42Å; F480-M484 HydrophobicContact CE1-CE 3.44Å; F480-M484 VanDerWaalsContact CE1-CE 3.44Å; F480-M484 HydrophobicContact CE1-SD 4.3Å; F480-M484 HydrophobicContact CZ-CE 3.51Å; F480-M484 WeakPolarHBondContact O-CB 3.38Å; F480-M484 PolarHBondContact O-N 2.94Å; F480-L579 HydrophobicContact CZ-CB 4.4Å; F480-L579 HydrophobicContact CZ-CD2 4.23Å; F480-P585 HydrophobicContact CD1-CB 4.41Å; F480-L588 HydrophobicContact CB-CD1 3.97Å; F480-L588 HydrophobicContact CG-CD1 4.34Å; F480-L618 HydrophobicContact CD2-CD2 4.15Å; F480-L618 HydrophobicContact CE1-CD2 4Å; F480-L618 HydrophobicContact CE2-CD2 3.52Å; F480-L618 HydrophobicContact CZ-CD2 3.45Å; F480-L618 VanDerWaalsContact CZ-CD2 3.45Å; F480-V621 HydrophobicContact CD2-CB 3.99Å; F480-V621 HydrophobicContact CD2-CG1 3.56Å; F480-V621 HydrophobicContact CE2-CB 3.82Å; F480-V621 HydrophobicContact CE2-CG1 3.5Å; F480-V621 VanDerWaalsContact CE2-CG1 3.5Å; F480-E622 HydrophobicContact CB-CG 4.23Å
481Q93.8Very high90.7Very high93 Ų9356 Ų5644%0.43528%0.277SS..Hα-helixtrans-60.7-42.7175.3-171.8178.54.400112.3E477 Q478 M484 T485 P585E477-Q481 VanDerWaalsContact O-CB 3.26Å; E477-Q481 WeakPolarHBondContact O-CB 3.49Å; E477-Q481 PolarHBondContact O-N 3.3Å; Q478-Q481 PolarHBondContact O-N 3.28Å; Q481-M484 PolarHBondContact O-N 3.34Å; Q481-T485 PolarHBondContact O-N 3.26Å; Q481-T485 PolarHBondContact O-OG1 2.85Å; Q481-P585 HydrophobicContact CB-CB 3.82Å; Q481-P585 HydrophobicContact CG-CB 4.07Å; Q481-P585 HydrophobicContact CG-CG 4.25Å
482R93.1Very high90.6Very high133 Ų13354.8 Ų54.850%0.50227%0.274SS..Hα-helixtrans-59.7-49.7175.8177.8-176.9175.2-169.5-2.7110.9Q478 L479 F480 T485 L486Q478-R482 WeakPolarHBondContact O-CB 3.27Å; Q478-R482 PolarHBondContact O-N 2.98Å; L479-R482 WeakPolarHBondContact O-CB 3.49Å; L479-R482 PolarHBondContact O-N 2.94Å; F480-R482 PolarHBondContact O-N 3.04Å; R482-T485 PolarHBondContact O-N 2.85Å; R482-T485 PolarHBondContact O-OG1 2.89Å; R482-L486 HydrophobicContact CG-CD1 3.99Å; R482-L486 WeakPolarHBondContact O-CG 3.47Å; R482-L486 PolarHBondContact O-N 2.84Å
483N91.5Very high90.3Very high7 Ų756 Ų564%0.03729%0.286CS..Hα-helixtrans-68.4-38.2-178.8-70.9-4.3000111.6L479 F480 T485 L486 Y487 V621 E622 L624L479-N483 PolarHBondContact O-N 3.14Å; F480-N483 PolarHBondContact O-N 3.15Å; N483-T485 VanDerWaalsContact C-N 3.28Å; N483-T485 PolarHBondContact O-N 3.23Å; N483-L486 PolarHBondContact O-N 2.99Å; N483-Y487 HydrophobicContact CB-CD2 4.49Å; N483-Y487 WeakPolarHBondContact O-CD2 3.4Å; N483-Y487 PolarHBondContact O-N 3.34Å; N483-V621 HydrophobicContact CB-CG1 4.25Å; N483-V621 WeakPolarHBondContact CB-O 3.32Å; N483-V621 PolarHBondContact ND2-O 2.93Å; N483-E622 PolarHBondContact ND2-O 3.1Å; N483-L624 PolarHBondContact ND2-O 3.47Å; N483-L624 VanDerWaalsContact ND2-O 3.11Å
484M91.1Very high90Very high7 Ų760.8 Ų60.83%0.03431%0.308CS..Hα-helixtrans-56.8-37.3171.9-177.5178.9-9900113F480 Q481 C488 L579 Q583F480-M484 HydrophobicContact CD1-CE 4.42Å; F480-M484 HydrophobicContact CE1-CE 3.44Å; F480-M484 VanDerWaalsContact CE1-CE 3.44Å; F480-M484 HydrophobicContact CE1-SD 4.3Å; F480-M484 HydrophobicContact CZ-CE 3.51Å; F480-M484 WeakPolarHBondContact O-CB 3.38Å; F480-M484 PolarHBondContact O-N 2.94Å; Q481-M484 PolarHBondContact O-N 3.34Å; M484-C488 WeakPolarHBondContact O-CB 3.3Å; M484-C488 PolarHBondContact O-N 2.89Å; M484-L579 WeakPolarHBondContact CE-O 3.39Å; M484-Q583 VanDerWaalsContact SD-C 3.56Å; M484-Q583 WeakPolarHBondContact SD-CA 3.42Å
485T90.8Very high89.8Confident91 Ų9157.6 Ų57.656%0.55830%0.297SS*.Hα-helixtrans-77-37.8173.556.20000113.5Q481 R482 N483 Y487 C488Q481-T485 PolarHBondContact O-N 3.26Å; Q481-T485 PolarHBondContact O-OG1 2.85Å; R482-T485 PolarHBondContact O-N 2.85Å; R482-T485 PolarHBondContact O-OG1 2.89Å; N483-T485 VanDerWaalsContact C-N 3.28Å; N483-T485 PolarHBondContact O-N 3.23Å; T485-Y487 VanDerWaalsContact C-N 3.35Å; T485-Y487 PolarHBondContact O-N 3.42Å; T485-C488 PolarHBondContact O-SG 2.89Å; T485-C488 VanDerWaalsContact O-SG 3.36Å
486L89.4Confident89.6Confident58 Ų5854.2 Ų54.230%0.30429%0.294SS..Hα-helixtrans-67.4-31.8178.9-73.1172.8000113.9R482 N483 R627R482-L486 HydrophobicContact CG-CD1 3.99Å; R482-L486 WeakPolarHBondContact O-CG 3.47Å; R482-L486 PolarHBondContact O-N 2.84Å; N483-L486 PolarHBondContact O-N 2.99Å; L486-R627 PolarHBondContact O-NH1 3.04Å
487Y87.8Confident89.4Confident25 Ų2549.3 Ų49.310%0.09828%0.276CS..THydrogen-bonded Turntrans-110.815.5-176.2-66.1-88.3000113.2N483 T485 S489 T490 L624 P625N483-Y487 HydrophobicContact CB-CD2 4.49Å; N483-Y487 WeakPolarHBondContact O-CD2 3.4Å; N483-Y487 PolarHBondContact O-N 3.34Å; T485-Y487 VanDerWaalsContact C-N 3.35Å; T485-Y487 PolarHBondContact O-N 3.42Å; Y487-S489 VanDerWaalsContact C-N 3.25Å; Y487-S489 PolarHBondContact O-N 3.49Å; Y487-T490 VanDerWaalsContact CA-OG1 3.3Å; Y487-T490 WeakPolarHBondContact CA-OG1 3.45Å; Y487-T490 HydrophobicContact CD1-CG2 4.24Å; Y487-T490 WeakPolarHBondContact CD1-OG1 3.38Å; Y487-T490 VanDerWaalsContact O-CB 3.23Å; Y487-T490 WeakPolarHBondContact O-CB 3.43Å; Y487-T490 PolarHBondContact O-N 3.24Å; Y487-T490 PolarHBondContact O-OG1 3.03Å; Y487-L624 HydrophobicContact CD2-CD1 4.05Å; Y487-L624 HydrophobicContact CE2-CB 3.94Å; Y487-L624 HydrophobicContact CE2-CD1 4.11Å; Y487-L624 HydrophobicContact CG-CD1 4.44Å; Y487-P625 PolarHBondContact OH-O 2.95Å; Y487-P625 VanDerWaalsContact OH-O 3.09Å
488C83.7Confident89.1Confident50 Ų5050.8 Ų50.834%0.33829%0.287SS..THydrogen-bonded Turntrans-63.5-27.4-177.1690000114.2M484 T485 R581M484-C488 WeakPolarHBondContact O-CB 3.3Å; M484-C488 PolarHBondContact O-N 2.89Å; T485-C488 PolarHBondContact O-SG 2.89Å; T485-C488 VanDerWaalsContact O-SG 3.36Å; C488-R581 PolarHBondContact O-NE 2.87Å
489S84.1Confident88.7Confident88 Ų8850.5 Ų50.562%0.61529%0.288SS*.THydrogen-bonded Turntrans-99.1-2.7-179.3590000114.2Y487Y487-S489 VanDerWaalsContact C-N 3.25Å; Y487-S489 PolarHBondContact O-N 3.49Å
490T86.3Confident88.4Confident4 Ų453.4 Ų53.43%0.02530%0.298CS..  trans-60.6142.2-176.5-62.90000111.7Y487 E494 V495 R581Y487-T490 VanDerWaalsContact CA-OG1 3.3Å; Y487-T490 WeakPolarHBondContact CA-OG1 3.45Å; Y487-T490 HydrophobicContact CD1-CG2 4.24Å; Y487-T490 WeakPolarHBondContact CD1-OG1 3.38Å; Y487-T490 VanDerWaalsContact O-CB 3.23Å; Y487-T490 WeakPolarHBondContact O-CB 3.43Å; Y487-T490 PolarHBondContact O-N 3.24Å; Y487-T490 PolarHBondContact O-OG1 3.03Å; T490-E494 HydrophobicContact CG2-CB 3.4Å; T490-E494 HydrophobicContact CG2-CG 4.35Å; T490-E494 WeakPolarHBondContact CG2-OE2 3.45Å; T490-V495 HydrophobicContact CG2-CG2 3.62Å; T490-R581 PolarHBondContact O-NH2 3.06Å
491S88.3Confident88.1Confident39 Ų3953.7 Ų53.727%0.27330%0.299SS..  trans-80.2157.6174.472.50000111.9A493 E494 V495S491-A493 PolarHBondContact O-N 3.21Å; S491-E494 WeakPolarHBondContact CB-OE1 3.36Å; S491-E494 PolarHBondContact N-OE1 2.91Å; S491-E494 PolarHBondContact O-N 2.81Å; S491-E494 VanDerWaalsContact O-N 3.12Å; S491-E494 PolarHBondContact OG-OE1 3.47Å; S491-V495 PolarHBondContact O-N 3.25Å
492P88.9Confident87.7Confident10 Ų1050.1 Ų50.17%0.06528%0.282CS..G310 helixtrans-55.1-37.2177-25.934.1000113.5E494 V495 G496 V497 F502 P514 F577P492-E494 PolarHBondContact O-N 3.05Å; P492-V495 PolarHBondContact O-N 2.94Å; P492-G496 PolarHBondContact O-N 2.83Å; P492-V497 HydrophobicContact CB-CB 3.86Å; P492-V497 HydrophobicContact CB-CG1 4.34Å; P492-V497 HydrophobicContact CB-CG2 4Å; P492-V497 VanDerWaalsContact O-CB 3.25Å; P492-V497 WeakPolarHBondContact O-CB 3.43Å; P492-V497 WeakPolarHBondContact O-CG2 3.46Å; P492-V497 PolarHBondContact O-N 3.47Å; P492-F502 HydrophobicContact CB-CB 4.38Å; P492-F502 HydrophobicContact CB-CD1 3.72Å; P492-F502 HydrophobicContact CB-CD2 4.25Å; P492-F502 HydrophobicContact CB-CE1 3.99Å; P492-F502 HydrophobicContact CB-CG 3.86Å; P492-F502 HydrophobicContact CB-CZ 4.4Å; P492-F502 HydrophobicContact CG-CB 4.37Å; P492-F502 HydrophobicContact CG-CD1 4.42Å; P492-F502 HydrophobicContact CG-CD2 4.13Å; P492-F502 HydrophobicContact CG-CG 4.06Å; P492-P514 HydrophobicContact CG-CB 4.28Å; P492-P514 HydrophobicContact CG-CG 4.12Å; P492-F577 HydrophobicContact CB-CD2 4.35Å; P492-F577 HydrophobicContact CB-CE2 4.43Å; P492-F577 HydrophobicContact CG-CD2 4.17Å; P492-F577 HydrophobicContact CG-CE1 4.26Å; P492-F577 HydrophobicContact CG-CE2 3.76Å; P492-F577 HydrophobicContact CG-CZ 3.82Å
493A87.4Confident87.2Confident44 Ų4444.7 Ų44.736%0.36426%0.264SS..G310 helixtrans-62.7-37.8178.100000113.3S491 V495 G496 L499 F502S491-A493 PolarHBondContact O-N 3.21Å; A493-V495 VanDerWaalsContact C-N 3.26Å; A493-V495 PolarHBondContact O-N 3.33Å; A493-G496 PolarHBondContact O-N 2.99Å; A493-L499 HydrophobicContact CB-CD2 4.06Å; A493-F502 HydrophobicContact CB-CE1 4.27Å; A493-F502 HydrophobicContact CB-CZ 3.9Å
494E86.6Confident86.5Confident123 Ų12350.1 Ų50.158%0.57529%0.289SS*.G310 helixtrans-68.6-23.8177.9-73.8155.7-11400112.8T490 S491 P492 G496T490-E494 HydrophobicContact CG2-CB 3.4Å; T490-E494 HydrophobicContact CG2-CG 4.35Å; T490-E494 WeakPolarHBondContact CG2-OE2 3.45Å; S491-E494 WeakPolarHBondContact CB-OE1 3.36Å; S491-E494 PolarHBondContact N-OE1 2.91Å; S491-E494 PolarHBondContact O-N 2.81Å; S491-E494 VanDerWaalsContact O-N 3.12Å; S491-E494 PolarHBondContact OG-OE1 3.47Å; P492-E494 PolarHBondContact O-N 3.05Å; E494-G496 VanDerWaalsContact C-N 3.26Å
495V86.3Confident85.6Confident11 Ų1155.3 Ų55.37%0.06732%0.317CS..G310 helixtrans-85.5-0.6171.9-166.80000111.5T490 S491 P492 A493 F577 L580T490-V495 HydrophobicContact CG2-CG2 3.62Å; S491-V495 PolarHBondContact O-N 3.25Å; P492-V495 PolarHBondContact O-N 2.94Å; A493-V495 VanDerWaalsContact C-N 3.26Å; A493-V495 PolarHBondContact O-N 3.33Å; V495-F577 HydrophobicContact CB-CB 4.37Å; V495-F577 HydrophobicContact CG1-CB 4.32Å; V495-F577 HydrophobicContact CG2-CB 4.3Å; V495-F577 HydrophobicContact CG2-CD2 4.1Å; V495-L580 HydrophobicContact CG1-CD1 4.48Å; V495-L580 HydrophobicContact CG2-CD1 4.08Å
496G86.8Confident84.3Confident50 Ų5056.3 Ų56.352%0.51533%0.325SS..THydrogen-bonded Turntrans87.810.6-17900000115P492 A493 E494 P498P492-G496 PolarHBondContact O-N 2.83Å; A493-G496 PolarHBondContact O-N 2.99Å; E494-G496 VanDerWaalsContact C-N 3.26Å; G496-P498 WeakPolarHBondContact O-CD 3.2Å
497V89.6Confident82.9Confident4 Ų456.9 Ų56.92%0.02435%0.345CS..  trans-65.9127.1174.8-1770000109.6P492 L499 L501 F502 P573 I574 F577P492-V497 HydrophobicContact CB-CB 3.86Å; P492-V497 HydrophobicContact CB-CG1 4.34Å; P492-V497 HydrophobicContact CB-CG2 4Å; P492-V497 VanDerWaalsContact O-CB 3.25Å; P492-V497 WeakPolarHBondContact O-CB 3.43Å; P492-V497 WeakPolarHBondContact O-CG2 3.46Å; P492-V497 PolarHBondContact O-N 3.47Å; V497-L499 PolarHBondContact O-N 3.34Å; V497-L501 HydrophobicContact CG1-CB 4.17Å; V497-F502 HydrophobicContact CB-CD1 4.33Å; V497-F502 HydrophobicContact CG1-CD1 3.91Å; V497-P573 HydrophobicContact CG2-CB 3.96Å; V497-I574 HydrophobicContact CB-CG1 4.48Å; V497-I574 HydrophobicContact CG1-CD1 4.46Å; V497-I574 HydrophobicContact CG1-CG1 3.7Å; V497-I574 HydrophobicContact CG2-CG1 4Å; V497-F577 HydrophobicContact CG2-CB 4.42Å
498P87.2Confident81.8Confident45 Ų4559.3 Ų59.329%0.29236%0.362SS..  trans-57136.5177.5-26.233.5000112.9G496 K500 L501G496-P498 WeakPolarHBondContact O-CD 3.2Å; P498-K500 PolarHBondContact O-N 3.1Å; P498-L501 HydrophobicContact CB-CD1 4.24Å; P498-L501 HydrophobicContact CB-CG 4.25Å; P498-L501 HydrophobicContact CG-CD1 4.04Å; P498-L501 PolarHBondContact O-N 3.41Å
499L85.6Confident80.9Confident96 Ų9658.4 Ų58.450%0.50335%0.354SS..THydrogen-bonded Turntrans-55.1-16.6-178.9-61.4-177.3000115.5A493 V497 F502 Q556A493-L499 HydrophobicContact CB-CD2 4.06Å; V497-L499 PolarHBondContact O-N 3.34Å; L499-F502 HydrophobicContact CD2-CE1 3.94Å; L499-F502 HydrophobicContact CD2-CZ 3.62Å; L499-Q556 PolarHBondContact O-NE2 2.99Å; L499-Q556 PolarHBondContact O-OE1 3.33Å
500K85.9Confident80.1Confident144 Ų14463.5 Ų63.563%0.62637%0.368SS*.THydrogen-bonded Turntrans-85.4-12.2178.5-61.3176.1-174.6170.30113.6P498 R553P498-K500 PolarHBondContact O-N 3.1Å; K500-R553 WeakPolarHBondContact O-CA 3.42Å
501L86.4Confident79.2Confident5 Ų567.2 Ų67.23%0.02641%0.407CS..SBendtrans-110.415.3-173.9-55.3-177.9000111.9V497 P498 Y515 A549 Y552 R553 D570 I574V497-L501 HydrophobicContact CG1-CB 4.17Å; P498-L501 HydrophobicContact CB-CD1 4.24Å; P498-L501 HydrophobicContact CB-CG 4.25Å; P498-L501 HydrophobicContact CG-CD1 4.04Å; P498-L501 PolarHBondContact O-N 3.41Å; L501-Y515 PolarHBondContact O-OH 3.26Å; L501-A549 HydrophobicContact CD2-CB 4.42Å; L501-Y552 VanDerWaalsContact O-CD2 3.26Å; L501-Y552 WeakPolarHBondContact O-CD2 3.37Å; L501-R553 HydrophobicContact CD2-CB 4.26Å; L501-D570 HydrophobicContact CD1-CB 3.81Å; L501-I574 HydrophobicContact CB-CD1 4.47Å; L501-I574 HydrophobicContact CD1-CD1 4.07Å
502F85.4Confident78.8Confident19 Ų1967.6 Ų67.68%0.08341%0.409CS..SBendtrans-153.1152.3166.867.5-87.8000109.8P492 A493 V497 L499 P514 Q556P492-F502 HydrophobicContact CB-CB 4.38Å; P492-F502 HydrophobicContact CB-CD1 3.72Å; P492-F502 HydrophobicContact CB-CD2 4.25Å; P492-F502 HydrophobicContact CB-CE1 3.99Å; P492-F502 HydrophobicContact CB-CG 3.86Å; P492-F502 HydrophobicContact CB-CZ 4.4Å; P492-F502 HydrophobicContact CG-CB 4.37Å; P492-F502 HydrophobicContact CG-CD1 4.42Å; P492-F502 HydrophobicContact CG-CD2 4.13Å; P492-F502 HydrophobicContact CG-CG 4.06Å; A493-F502 HydrophobicContact CB-CE1 4.27Å; A493-F502 HydrophobicContact CB-CZ 3.9Å; V497-F502 HydrophobicContact CB-CD1 4.33Å; V497-F502 HydrophobicContact CG1-CD1 3.91Å; L499-F502 HydrophobicContact CD2-CE1 3.94Å; L499-F502 HydrophobicContact CD2-CZ 3.62Å; F502-P514 HydrophobicContact CB-CB 4.15Å; F502-P514 HydrophobicContact CB-CG 4.32Å; F502-Q556 PolarHBondContact O-NE2 3.02Å
503P82.8Confident78.6Confident18 Ų1869.7 Ų69.712%0.11742%0.416CS..  trans-72133.5-179.529-33.6000110.8L509 P514 Y552P503-L509 HydrophobicContact CG-CD1 3.61Å; P503-L509 HydrophobicContact CG-CD2 3.96Å; P503-L509 HydrophobicContact CG-CG 3.73Å; P503-P514 HydrophobicContact CG-CG 4.4Å; P503-Y552 HydrophobicContact CG-CD1 4.24Å; P503-Y552 HydrophobicContact CG-CE1 4.07Å
504Q76.9Confident78.7Confident121 Ų12168.4 Ų68.457%0.56540%0.404SS*.SBendtrans-82.6-30.7178-60.9-167.912.800112.7P506Q504-P506 WeakPolarHBondContact O-CD 3.29Å
505D70.9Confident79Confident117 Ų11762.6 Ų62.663%0.62638%0.377SS*.  trans-87.7114.8177.5-71.5-49.5000111.1G507 T508D505-G507 PolarHBondContact O-N 2.89Å; D505-G507 VanDerWaalsContact O-N 3.16Å; D505-T508 WeakPolarHBondContact O-CB 3.27Å; D505-T508 PolarHBondContact O-N 3.44Å; D505-T508 VanDerWaalsContact O-N 3.14Å; D505-T508 PolarHBondContact O-OG1 3.19Å
506P63.6Low79.3Confident112 Ų11264.4 Ų64.473%0.72739%0.385SS*.G310 helixtrans-66.4-17.1-179.625.6-33.7000113.4Q504 T508Q504-P506 WeakPolarHBondContact O-CD 3.29Å; P506-T508 PolarHBondContact O-N 3.29Å
507G60.8Low79.6Confident69 Ų6965.8 Ų65.871%0.71138%0.383SS*.G310 helixtrans-66.4-2317400000114.1D505 L509D505-G507 PolarHBondContact O-N 2.89Å; D505-G507 VanDerWaalsContact O-N 3.16Å; G507-L509 VanDerWaalsContact C-N 3.29Å; G507-L509 PolarHBondContact O-N 3.21Å
508T64Low79.9Confident76 Ų7665.6 Ų65.647%0.46638%0.382SS..G310 helixtrans-71.7-23-177.7-49.90000112.6D505 P506D505-T508 WeakPolarHBondContact O-CB 3.27Å; D505-T508 PolarHBondContact O-N 3.44Å; D505-T508 VanDerWaalsContact O-N 3.14Å; D505-T508 PolarHBondContact O-OG1 3.19Å; P506-T508 PolarHBondContact O-N 3.29Å
509L65.1Low80.3Confident31 Ų3163.5 Ų63.516%0.16237%0.368CS..G310 helixtrans-95.65.4-172.9-72.9172.7000115.1P503 G507 G511 S512 P514 Y552P503-L509 HydrophobicContact CG-CD1 3.61Å; P503-L509 HydrophobicContact CG-CD2 3.96Å; P503-L509 HydrophobicContact CG-CG 3.73Å; G507-L509 VanDerWaalsContact C-N 3.29Å; G507-L509 PolarHBondContact O-N 3.21Å; L509-G511 PolarHBondContact O-N 3.04Å; L509-S512 WeakPolarHBondContact CB-O 3.38Å; L509-S512 VanDerWaalsContact O-CB 3.23Å; L509-S512 WeakPolarHBondContact O-CB 3.34Å; L509-S512 PolarHBondContact O-N 3.43Å; L509-P514 HydrophobicContact CD1-CG 3.86Å; L509-Y552 HydrophobicContact CD2-CE1 4.35Å
510Q68.4Low80.8Confident196 Ų19663.9 Ų63.992%0.91637%0.367SS*.THydrogen-bonded Turntrans52.426.3176.5-57.2-172.50.500115.6
511G67.2Low81.3Confident81 Ų8158.7 Ų58.784%0.83535%0.345SS*.THydrogen-bonded Turntrans97.7-6.3-177.400000115.2L509L509-G511 PolarHBondContact O-N 3.04Å
512S79.6Confident81.7Confident47 Ų4758.4 Ų58.433%0.32934%0.344SS..  trans-77.7170.5167.9-174.80000111.7L509 E516L509-S512 WeakPolarHBondContact CB-O 3.38Å; L509-S512 VanDerWaalsContact O-CB 3.23Å; L509-S512 WeakPolarHBondContact O-CB 3.34Å; L509-S512 PolarHBondContact O-N 3.43Å; S512-E516 WeakPolarHBondContact CA-OE2 3.33Å; S512-E516 VanDerWaalsContact CB-OE2 3.28Å; S512-E516 WeakPolarHBondContact CB-OE2 3.49Å; S512-E516 WeakPolarHBondContact OG-CB 3.11Å; S512-E516 PolarHBondContact OG-OE2 3.39Å
513Y85Confident82.2Confident55 Ų5561.1 Ų61.122%0.21636%0.356CS..  trans-115.4159.4170.363.9-86.7000111Y515 E516 V519 F577 R581Y513-Y515 PolarHBondContact O-N 2.83Å; Y513-E516 HydrophobicContact CD1-CB 4.07Å; Y513-E516 HydrophobicContact CD1-CG 4.25Å; Y513-E516 HydrophobicContact CD2-CB 4.26Å; Y513-E516 HydrophobicContact CE1-CB 3.79Å; Y513-E516 HydrophobicContact CE1-CG 3.62Å; Y513-E516 HydrophobicContact CE2-CB 4.01Å; Y513-E516 HydrophobicContact CG-CB 4.29Å; Y513-E516 WeakPolarHBondContact O-CB 3.47Å; Y513-E516 PolarHBondContact O-N 2.86Å; Y513-V519 HydrophobicContact CE2-CG2 4.08Å; Y513-V519 WeakPolarHBondContact OH-CG1 3.32Å; Y513-F577 HydrophobicContact CD2-CE1 4.48Å; Y513-F577 HydrophobicContact CD2-CZ 4.45Å; Y513-R581 HydrophobicContact CD2-CG 4.47Å; Y513-R581 HydrophobicContact CE2-CB 4.01Å; Y513-R581 HydrophobicContact CE2-CG 3.97Å
514P88.9Confident82.8Confident17 Ų1763.9 Ų63.911%0.1137%0.369CS..THydrogen-bonded Turntrans-53.8138.3-178-25.233.9000111.8P492 F502 P503 L509 E516 Y552 F577P492-P514 HydrophobicContact CG-CB 4.28Å; P492-P514 HydrophobicContact CG-CG 4.12Å; F502-P514 HydrophobicContact CB-CB 4.15Å; F502-P514 HydrophobicContact CB-CG 4.32Å; P503-P514 HydrophobicContact CG-CG 4.4Å; L509-P514 HydrophobicContact CD1-CG 3.86Å; P514-E516 PolarHBondContact O-N 3.21Å; P514-Y552 HydrophobicContact CB-CE2 4.49Å; P514-F577 WeakPolarHBondContact O-CE1 3.4Å
515Y92.4Very high83.7Confident0 Ų058.2 Ų58.20%034%0.343CS..THydrogen-bonded Turntrans60.615.9179.4-54.9-80.2000116.6L501 Y513 V517 A518 V519 I545 C548 A549 Y552 I574 F577 V578L501-Y515 PolarHBondContact O-OH 3.26Å; Y513-Y515 PolarHBondContact O-N 2.83Å; Y515-V517 PolarHBondContact O-N 3.37Å; Y515-V517 VanDerWaalsContact O-N 3.16Å; Y515-A518 PolarHBondContact O-N 3.35Å; Y515-V519 PolarHBondContact O-N 2.9Å; Y515-V519 VanDerWaalsContact O-N 3.14Å; Y515-I545 HydrophobicContact CD1-CG1 4.4Å; Y515-I545 HydrophobicContact CE1-CG2 4.28Å; Y515-I545 WeakPolarHBondContact CE1-O 3.38Å; Y515-C548 HydrophobicContact CD1-CB 3.58Å; Y515-C548 HydrophobicContact CE1-CB 3.57Å; Y515-A549 HydrophobicContact CE1-CB 4.15Å; Y515-A549 WeakPolarHBondContact OH-CB 3.35Å; Y515-Y552 HydrophobicContact CD1-CE2 4.42Å; Y515-Y552 HydrophobicContact CD2-CE2 4.35Å; Y515-Y552 HydrophobicContact CE1-CE2 4.13Å; Y515-Y552 HydrophobicContact CE2-CD2 4.43Å; Y515-Y552 HydrophobicContact CE2-CE2 4.05Å; Y515-Y552 AromaticContact CZ-CE2 3.95Å; Y515-Y552 PolarHBondContact N-OH 2.81Å; Y515-I574 HydrophobicContact CD1-CG2 3.89Å; Y515-I574 HydrophobicContact CD2-CG2 3.93Å; Y515-I574 HydrophobicContact CE1-CG2 3.63Å; Y515-I574 HydrophobicContact CE2-CG1 4.41Å; Y515-I574 HydrophobicContact CE2-CG2 3.67Å; Y515-I574 HydrophobicContact CG-CG2 4.01Å; Y515-I574 VanDerWaalsContact CZ-CG2 3.49Å; Y515-I574 VanDerWaalsContact OH-CD1 3.31Å; Y515-I574 WeakPolarHBondContact OH-CD1 3.34Å; Y515-F577 HydrophobicContact CD2-CD1 4.45Å; Y515-V578 HydrophobicContact CG-CG2 4.4Å
516E92.7Very high84.7Confident49 Ų4954.5 Ų54.523%0.22932%0.324CS..Hα-helixtrans-53-39.2179177.1170.1-166.100113.1S512 Y513 P514 A518 V519 Q520S512-E516 WeakPolarHBondContact CA-OE2 3.33Å; S512-E516 VanDerWaalsContact CB-OE2 3.28Å; S512-E516 WeakPolarHBondContact CB-OE2 3.49Å; S512-E516 WeakPolarHBondContact OG-CB 3.11Å; S512-E516 PolarHBondContact OG-OE2 3.39Å; Y513-E516 HydrophobicContact CD1-CB 4.07Å; Y513-E516 HydrophobicContact CD1-CG 4.25Å; Y513-E516 HydrophobicContact CD2-CB 4.26Å; Y513-E516 HydrophobicContact CE1-CB 3.79Å; Y513-E516 HydrophobicContact CE1-CG 3.62Å; Y513-E516 HydrophobicContact CE2-CB 4.01Å; Y513-E516 HydrophobicContact CG-CB 4.29Å; Y513-E516 WeakPolarHBondContact O-CB 3.47Å; Y513-E516 PolarHBondContact O-N 2.86Å; P514-E516 PolarHBondContact O-N 3.21Å; E516-A518 VanDerWaalsContact C-N 3.3Å; E516-A518 PolarHBondContact O-N 3.45Å; E516-V519 CarbonylContact O-C 3.26Å; E516-V519 WeakPolarHBondContact O-CA 3.46Å; E516-V519 WeakPolarHBondContact O-CB 3.33Å; E516-V519 PolarHBondContact O-N 3.44Å; E516-Q520 HydrophobicContact CG-CG 4.17Å; E516-Q520 WeakPolarHBondContact O-CG 3.14Å; E516-Q520 PolarHBondContact O-N 3.27Å; E516-Q520 PolarHBondContact OE1-NE2 3.05Å
517V93.9Very high86Confident80 Ų8056.1 Ų56.149%0.48532%0.322SS..Hα-helixtrans-60.2-39.4179-172.30000111.8Y515 Q520 E521 L544Y515-V517 PolarHBondContact O-N 3.37Å; Y515-V517 VanDerWaalsContact O-N 3.16Å; V517-Q520 PolarHBondContact O-N 3.47Å; V517-E521 PolarHBondContact O-N 3.24Å; V517-L544 HydrophobicContact CG1-CD1 4.23Å; V517-L544 HydrophobicContact CG1-CD2 4.01Å
518A95.6Very high87.5Confident0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-70.8-34.1175.300000112.1Y515 E516 L522 T541 L544 I545 V578Y515-A518 PolarHBondContact O-N 3.35Å; E516-A518 VanDerWaalsContact C-N 3.3Å; E516-A518 PolarHBondContact O-N 3.45Å; A518-L522 WeakPolarHBondContact O-CB 3.42Å; A518-L522 PolarHBondContact O-N 3.42Å; A518-T541 HydrophobicContact CB-CG2 4.33Å; A518-L544 HydrophobicContact CB-CB 4.15Å; A518-I545 HydrophobicContact CB-CD1 4.39Å; A518-I545 HydrophobicContact CB-CG1 3.64Å; A518-V578 HydrophobicContact CB-CG1 4.46Å; A518-V578 HydrophobicContact CB-CG2 4.38Å
519V95.3Very high88.8Confident0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-66-39.7173-179.90000111.2Y513 Y515 E516 K523 V578 R581 C582Y513-V519 HydrophobicContact CE2-CG2 4.08Å; Y513-V519 WeakPolarHBondContact OH-CG1 3.32Å; Y515-V519 PolarHBondContact O-N 2.9Å; Y515-V519 VanDerWaalsContact O-N 3.14Å; E516-V519 CarbonylContact O-C 3.26Å; E516-V519 WeakPolarHBondContact O-CA 3.46Å; E516-V519 WeakPolarHBondContact O-CB 3.33Å; E516-V519 PolarHBondContact O-N 3.44Å; V519-K523 WeakPolarHBondContact O-CG 3.43Å; V519-K523 PolarHBondContact O-N 2.9Å; V519-V578 HydrophobicContact CG2-CB 4.23Å; V519-V578 HydrophobicContact CG2-CG1 3.87Å; V519-V578 HydrophobicContact CG2-CG2 4.25Å; V519-R581 HydrophobicContact CG1-CB 4.22Å; V519-R581 HydrophobicContact CG2-CB 3.79Å; V519-C582 HydrophobicContact CG1-CB 4.25Å
520Q95.3Very high90.1Very high104 Ų10452.7 Ų52.749%0.48628%0.281SS..Hα-helixtrans-66.7-44.8176.7-69.7178.7800111.4E516 V517 L522 K523E516-Q520 HydrophobicContact CG-CG 4.17Å; E516-Q520 WeakPolarHBondContact O-CG 3.14Å; E516-Q520 PolarHBondContact O-N 3.27Å; E516-Q520 PolarHBondContact OE1-NE2 3.05Å; V517-Q520 PolarHBondContact O-N 3.47Å; Q520-L522 PolarHBondContact O-N 3.38Å; Q520-K523 WeakPolarHBondContact O-CB 3.48Å; Q520-K523 PolarHBondContact O-N 3.18Å
521E96.5Very high91.3Very high35 Ų3543.3 Ų43.316%0.16424%0.237CC..Hα-helixtrans-59.3-46.6173.6-174.867.1-154.400111.5V517 K523 L524 C537 R540 L544V517-E521 PolarHBondContact O-N 3.24Å; E521-K523 PolarHBondContact O-N 3.06Å; E521-K523 VanDerWaalsContact O-N 3.17Å; E521-L524 WeakPolarHBondContact O-CB 3.43Å; E521-L524 PolarHBondContact O-N 3.23Å; E521-C537 PolarHBondContact O-SG 3Å; E521-R540 HydrophobicContact CG-CB 4.08Å; E521-R540 IonicContact OE1-CZ 3.52Å; E521-R540 IonicContact OE1-NE 2.65Å; E521-R540 PolarHBondContact OE1-NE 3.38Å; E521-R540 IonicContact OE1-NH2 3.83Å; E521-R540 PolarHBondContact OE1-NH2 3.2Å; E521-L544 HydrophobicContact CB-CD1 3.62Å; E521-L544 HydrophobicContact CG-CD1 3.86Å
522L96.1Very high92.5Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-62.9-25.1-179.3-172.757.3000113.3A518 Q520 L525 T541 V578 L579 C582 L587 L614A518-L522 WeakPolarHBondContact O-CB 3.42Å; A518-L522 PolarHBondContact O-N 3.42Å; Q520-L522 PolarHBondContact O-N 3.38Å; L522-L525 HydrophobicContact CD1-CD1 4.14Å; L522-L525 VanDerWaalsContact O-CB 3.29Å; L522-L525 WeakPolarHBondContact O-CB 3.11Å; L522-L525 PolarHBondContact O-N 2.95Å; L522-T541 HydrophobicContact CB-CG2 3.95Å; L522-T541 HydrophobicContact CD1-CG2 4.38Å; L522-V578 HydrophobicContact CD2-CG1 3.96Å; L522-L579 HydrophobicContact CD2-CD2 4.06Å; L522-C582 HydrophobicContact CD2-CB 4.33Å; L522-L587 HydrophobicContact CD1-CD2 4.25Å; L522-L587 HydrophobicContact CD2-CD1 4Å; L522-L587 HydrophobicContact CG-CD1 4.05Å; L522-L587 HydrophobicContact CG-CD2 4.39Å; L522-L614 HydrophobicContact CD1-CD2 4.28Å
523K95.9Very high93.1Very high75 Ų7544 Ų4433%0.32621%0.209SC..Hα-helixtrans-68.6-34.1173.7-75.3172.5175.2-179.50112.4V519 Q520 E521 L525 V526 C582V519-K523 WeakPolarHBondContact O-CG 3.43Å; V519-K523 PolarHBondContact O-N 2.9Å; Q520-K523 WeakPolarHBondContact O-CB 3.48Å; Q520-K523 PolarHBondContact O-N 3.18Å; E521-K523 PolarHBondContact O-N 3.06Å; E521-K523 VanDerWaalsContact O-N 3.17Å; K523-L525 PolarHBondContact O-N 2.76Å; K523-V526 WeakPolarHBondContact O-CB 3.49Å; K523-V526 PolarHBondContact O-N 3.08Å; K523-V526 VanDerWaalsContact O-N 3.12Å; K523-C582 WeakPolarHBondContact CE-O 3.44Å; K523-C582 VanDerWaalsContact CG-SG 3.59Å
524L95.3Very high93.6Very high77 Ų7741.4 Ų41.440%0.40320%0.199SC..Hα-helixtrans-61.7-25.6178.3-56.7178000112.4E521 V526 E527 D528E521-L524 WeakPolarHBondContact O-CB 3.43Å; E521-L524 PolarHBondContact O-N 3.23Å; L524-V526 PolarHBondContact O-N 3.12Å; L524-E527 PolarHBondContact O-N 2.95Å; L524-D528 PolarHBondContact O-N 3.45Å
525L95Very high93.9Very high1 Ų140.8 Ų40.81%0.00520%0.195CC..Hα-helixtrans-53.6-38.5175-168.6153.8000111.8L522 K523 E527 K534 C537 V538 L587 E590L522-L525 HydrophobicContact CD1-CD1 4.14Å; L522-L525 VanDerWaalsContact O-CB 3.29Å; L522-L525 WeakPolarHBondContact O-CB 3.11Å; L522-L525 PolarHBondContact O-N 2.95Å; K523-L525 PolarHBondContact O-N 2.76Å; L525-E527 VanDerWaalsContact C-N 3.33Å; L525-E527 PolarHBondContact O-N 3.38Å; L525-K534 HydrophobicContact CD2-CG 4.44Å; L525-K534 HydrophobicContact CG-CB 4.12Å; L525-K534 HydrophobicContact CG-CG 4.26Å; L525-K534 PolarHBondContact O-NZ 2.91Å; L525-C537 HydrophobicContact CB-CB 4.33Å; L525-V538 HydrophobicContact CD1-CG2 3.41Å; L525-V538 VanDerWaalsContact CD1-CG2 3.41Å; L525-L587 HydrophobicContact CD2-CD2 4.02Å; L525-E590 HydrophobicContact CD2-CB 3.76Å; L525-E590 HydrophobicContact CD2-CG 3.98Å; L525-E590 WeakPolarHBondContact CD2-OE2 3.27Å
526V92.8Very high94Very high40 Ų4044.5 Ų44.524%0.24221%0.214CC..Hα-helixtrans-68.4-31179.5172.40000112.4K523 L524 C584 Q586 L587K523-V526 WeakPolarHBondContact O-CB 3.49Å; K523-V526 PolarHBondContact O-N 3.08Å; K523-V526 VanDerWaalsContact O-N 3.12Å; L524-V526 PolarHBondContact O-N 3.12Å; V526-C584 HydrophobicContact CG2-CB 4.22Å; V526-Q586 HydrophobicContact CG1-CG 4.43Å; V526-Q586 HydrophobicContact CG2-CG 4.04Å; V526-L587 HydrophobicContact CG2-CD2 4.27Å
527E91Very high94.2Very high145 Ų14542.3 Ų42.368%0.67820%0.204SC*.Hα-helixtrans-80.1-31.7-173.3-57-173.8167.900112.5L524 L525L524-E527 PolarHBondContact O-N 2.95Å; L525-E527 VanDerWaalsContact C-N 3.33Å; L525-E527 PolarHBondContact O-N 3.38Å
528D92.1Very high94.4Very high47 Ų4738.5 Ų38.525%0.25118%0.181SC..  trans-70.6166.9176.2-148.9-55.9000111.7L524 C530 R533 K534L524-D528 PolarHBondContact O-N 3.45Å; D528-C530 PolarHBondContact OD1-N 3.28Å; D528-R533 WeakPolarHBondContact OD2-CB 3.38Å; D528-R533 WeakPolarHBondContact OD2-CD 3.43Å; D528-K534 VanDerWaalsContact C-CE 3.46Å; D528-K534 HydrophobicContact CB-CG 4.08Å; D528-K534 WeakPolarHBondContact O-CE 3.47Å; D528-K534 PolarHBondContact O-NZ 3.21Å
529R91.2Very high94.4Very high53 Ų5338.8 Ų38.820%0.218%0.183CC..  trans-132.9-7.3179.9-55.1-173.1-171.3-172.40.7113.2F458 T459 W462F458-R529 WeakPolarHBondContact CB-O 3.44Å; T459-R529 WeakPolarHBondContact O-CD 3.3Å; T459-R529 PolarHBondContact O-NH1 2.99Å; T459-R529 VanDerWaalsContact O-NH1 3.15Å; W462-R529 HydrophobicContact CB-CB 3.8Å; W462-R529 HydrophobicContact CB-CG 4.24Å; W462-R529 HydrophobicContact CG-CB 4.23Å
530C91.8Very high94.5Very high4 Ų443.7 Ų43.73%0.02720%0.202CC..  trans-94.9124.3176.8-176.70000110.2E455 D528 Q532 R533 K534E455-C530 HydrophobicContact CB-CB 4.48Å; D528-C530 PolarHBondContact OD1-N 3.28Å; C530-Q532 VanDerWaalsContact C-N 3.3Å; C530-Q532 PolarHBondContact O-N 3.43Å; C530-R533 HydrophobicContact CB-CB 4.23Å; C530-R533 HydrophobicContact CB-CG 4.2Å; C530-R533 PolarHBondContact O-N 3.07Å; C530-K534 WeakPolarHBondContact O-CG 3.38Å; C530-K534 PolarHBondContact O-N 3.47Å; C530-K534 VanDerWaalsContact O-N 3.1Å
531P93.8Very high94.6Very high0 Ų038.8 Ų38.80%018%0.179CC..Hα-helixtrans-55.1-41.1179.1-2735000113.8F458 W462 K534 L535 L594 F597 I598F458-P531 HydrophobicContact CD1-CG 4.25Å; F458-P531 HydrophobicContact CD2-CG 3.65Å; F458-P531 HydrophobicContact CE1-CG 4.28Å; F458-P531 HydrophobicContact CE2-CG 3.69Å; F458-P531 HydrophobicContact CG-CG 3.96Å; F458-P531 HydrophobicContact CZ-CG 4.02Å; W462-P531 HydrophobicContact CE3-CG 4.47Å; W462-P531 HydrophobicContact CZ3-CG 3.91Å; P531-K534 WeakPolarHBondContact O-CB 3.5Å; P531-K534 PolarHBondContact O-N 3.12Å; P531-L535 PolarHBondContact O-N 2.86Å; P531-L594 HydrophobicContact CB-CD2 4.08Å; P531-F597 HydrophobicContact CG-CB 4.38Å; P531-I598 HydrophobicContact CB-CG1 4.07Å
532Q91.6Very high94.6Very high38 Ų3837.4 Ų37.418%0.17817%0.172CC..Hα-helixtrans-63.8-44.9179.4-64-178.810.300112.1E454 C530 K534 L535 D536E454-Q532 VanDerWaalsContact CD-NE2 3.32Å; E454-Q532 VanDerWaalsContact OE2-CG 3.3Å; E454-Q532 WeakPolarHBondContact OE2-CG 3.35Å; E454-Q532 PolarHBondContact OE2-NE2 2.7Å; C530-Q532 VanDerWaalsContact C-N 3.3Å; C530-Q532 PolarHBondContact O-N 3.43Å; Q532-K534 VanDerWaalsContact C-N 3.3Å; Q532-K534 PolarHBondContact O-N 3.45Å; Q532-L535 WeakPolarHBondContact O-CB 3.45Å; Q532-L535 PolarHBondContact O-N 3.34Å; Q532-L535 VanDerWaalsContact O-N 3.13Å; Q532-D536 PolarHBondContact O-N 3.11Å
533R92.4Very high94.6Very high105 Ų10543.8 Ų43.840%0.39620%0.197SC..Hα-helixtrans-66.8-32.2177.7-69.2-170.2178.6144.810113E455 D528 C530 D536 C537E455-R533 IonicContact OE1-CZ 3.57Å; E455-R533 IonicContact OE1-NH1 3.58Å; E455-R533 PolarHBondContact OE1-NH1 3.26Å; E455-R533 IonicContact OE1-NH2 2.76Å; E455-R533 PolarHBondContact OE1-NH2 3.35Å; E455-R533 IonicContact OE2-CZ 2.78Å; E455-R533 IonicContact OE2-NH1 3.32Å; E455-R533 IonicContact OE2-NH2 3.59Å; E455-R533 PolarHBondContact OE2-NH2 2.68Å; D528-R533 WeakPolarHBondContact OD2-CB 3.38Å; D528-R533 WeakPolarHBondContact OD2-CD 3.43Å; C530-R533 HydrophobicContact CB-CB 4.23Å; C530-R533 HydrophobicContact CB-CG 4.2Å; C530-R533 PolarHBondContact O-N 3.07Å; R533-D536 PolarHBondContact O-N 3.21Å; R533-C537 WeakPolarHBondContact O-CB 3.46Å; R533-C537 PolarHBondContact O-N 3.48Å
534K95.4Very high94.6Very high0 Ų042.8 Ų42.80%020%0.195CC..Hα-helixtrans-65.8-41.8171.3-70170.4-178.4-80.10111.2W462 L525 D528 C530 P531 Q532 C537 V538 E590 L594W462-K534 HydrophobicContact CH2-CD 4.2Å; W462-K534 HydrophobicContact CZ2-CD 3.77Å; L525-K534 HydrophobicContact CD2-CG 4.44Å; L525-K534 HydrophobicContact CG-CB 4.12Å; L525-K534 HydrophobicContact CG-CG 4.26Å; L525-K534 PolarHBondContact O-NZ 2.91Å; D528-K534 VanDerWaalsContact C-CE 3.46Å; D528-K534 HydrophobicContact CB-CG 4.08Å; D528-K534 WeakPolarHBondContact O-CE 3.47Å; D528-K534 PolarHBondContact O-NZ 3.21Å; C530-K534 WeakPolarHBondContact O-CG 3.38Å; C530-K534 PolarHBondContact O-N 3.47Å; C530-K534 VanDerWaalsContact O-N 3.1Å; P531-K534 WeakPolarHBondContact O-CB 3.5Å; P531-K534 PolarHBondContact O-N 3.12Å; Q532-K534 VanDerWaalsContact C-N 3.3Å; Q532-K534 PolarHBondContact O-N 3.45Å; K534-C537 WeakPolarHBondContact O-CA 3.35Å; K534-C537 WeakPolarHBondContact O-CB 3.46Å; K534-C537 PolarHBondContact O-N 3.18Å; K534-C537 VanDerWaalsContact O-N 3.14Å; K534-V538 WeakPolarHBondContact O-CG2 3.35Å; K534-V538 PolarHBondContact O-N 3.44Å; K534-E590 WeakPolarHBondContact CD-OE2 3.49Å; K534-E590 WeakPolarHBondContact CE-OE2 3.47Å; K534-E590 IonicContact NZ-OE1 3.86Å; K534-E590 PolarHBondContact NZ-OE1 3.02Å; K534-E590 IonicContact NZ-OE2 2.69Å; K534-E590 PolarHBondContact NZ-OE2 3.14Å; K534-L594 HydrophobicContact CB-CD1 3.99Å; K534-L594 HydrophobicContact CB-CD2 3.64Å; K534-L594 HydrophobicContact CB-CG 4.43Å; K534-L594 HydrophobicContact CD-CD2 3.91Å; K534-L594 HydrophobicContact CG-CD2 4.44Å
535L95.8Very high94.5Very high4 Ų439.1 Ų39.12%0.02118%0.176CC..Hα-helixtrans-61.2-46.4173-172.363.6000111.6P531 Q532 C537 V538 V539 I598 F602 E607 L611P531-L535 PolarHBondContact O-N 2.86Å; Q532-L535 WeakPolarHBondContact O-CB 3.45Å; Q532-L535 PolarHBondContact O-N 3.34Å; Q532-L535 VanDerWaalsContact O-N 3.13Å; L535-C537 PolarHBondContact O-N 3.15Å; L535-V538 WeakPolarHBondContact O-CB 3.26Å; L535-V538 PolarHBondContact O-N 2.86Å; L535-V539 PolarHBondContact O-N 2.93Å; L535-I598 HydrophobicContact CB-CD1 3.86Å; L535-I598 HydrophobicContact CD1-CD1 3.85Å; L535-I598 HydrophobicContact CD2-CD1 3.83Å; L535-I598 HydrophobicContact CD2-CG2 4.08Å; L535-I598 HydrophobicContact CG-CD1 4.04Å; L535-F602 HydrophobicContact CD2-CB 4.28Å; L535-E607 HydrophobicContact CD1-CB 4.18Å; L535-E607 HydrophobicContact CD2-CB 3.68Å; L535-E607 HydrophobicContact CD2-CG 4.11Å; L535-E607 HydrophobicContact CG-CB 3.94Å; L535-E607 HydrophobicContact CG-CG 4.41Å; L535-L611 HydrophobicContact CD1-CB 4.15Å; L535-L611 HydrophobicContact CD1-CD2 4.43Å
536D94.8Very high94.4Very high77 Ų7741 Ų4141%0.41219%0.188SC..Hα-helixtrans-57-38172.9-65.5-34.9000111.5Q532 R533 V539 R540Q532-D536 PolarHBondContact O-N 3.11Å; R533-D536 PolarHBondContact O-N 3.21Å; D536-V539 PolarHBondContact O-N 3.2Å; D536-R540 VanDerWaalsContact CB-NH1 3.28Å; D536-R540 WeakPolarHBondContact O-CB 3.13Å; D536-R540 VanDerWaalsContact O-CG 3.29Å; D536-R540 WeakPolarHBondContact O-CG 3.38Å; D536-R540 PolarHBondContact O-N 2.92Å
537C96.9Very high94.3Very high3 Ų340.5 Ų40.52%0.0219%0.191CC..Hα-helixtrans-63.9-39.7176.2-157.60000112.3E521 L525 R533 K534 L535 T541E521-C537 PolarHBondContact O-SG 3Å; L525-C537 HydrophobicContact CB-CB 4.33Å; R533-C537 WeakPolarHBondContact O-CB 3.46Å; R533-C537 PolarHBondContact O-N 3.48Å; K534-C537 WeakPolarHBondContact O-CA 3.35Å; K534-C537 WeakPolarHBondContact O-CB 3.46Å; K534-C537 PolarHBondContact O-N 3.18Å; K534-C537 VanDerWaalsContact O-N 3.14Å; L535-C537 PolarHBondContact O-N 3.15Å; C537-T541 WeakPolarHBondContact O-CB 3.47Å; C537-T541 PolarHBondContact O-N 3.36Å; C537-T541 PolarHBondContact O-OG1 3.37Å
538V97.3Very high94.3Very high0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-62.8-47.6172.4179.10000110.3L525 K534 L535 R540 T541 L542 L594 C610 L614L525-V538 HydrophobicContact CD1-CG2 3.41Å; L525-V538 VanDerWaalsContact CD1-CG2 3.41Å; K534-V538 WeakPolarHBondContact O-CG2 3.35Å; K534-V538 PolarHBondContact O-N 3.44Å; L535-V538 WeakPolarHBondContact O-CB 3.26Å; L535-V538 PolarHBondContact O-N 2.86Å; V538-R540 PolarHBondContact O-N 2.72Å; V538-T541 WeakPolarHBondContact O-CB 3.36Å; V538-T541 PolarHBondContact O-N 2.99Å; V538-L542 HydrophobicContact CG1-CD1 3.97Å; V538-L542 VanDerWaalsContact O-CD1 3.29Å; V538-L542 WeakPolarHBondContact O-CD1 3.42Å; V538-L542 PolarHBondContact O-N 2.85Å; V538-L594 HydrophobicContact CG2-CD1 4.43Å; V538-C610 HydrophobicContact CG1-CB 4.1Å; V538-L614 HydrophobicContact CB-CD2 4.45Å; V538-L614 HydrophobicContact CG1-CB 4.25Å; V538-L614 HydrophobicContact CG1-CD2 3.84Å; V538-L614 HydrophobicContact CG2-CD2 3.76Å
539V97Very high94.2Very high6 Ų632.3 Ų32.34%0.03615%0.154CC..Hα-helixtrans-61.5-45.5178.8174.40000111.5L535 D536 T541 L542 R543 E607 C610L535-V539 PolarHBondContact O-N 2.93Å; D536-V539 PolarHBondContact O-N 3.2Å; V539-T541 VanDerWaalsContact C-N 3.33Å; V539-T541 PolarHBondContact O-N 3.39Å; V539-L542 PolarHBondContact O-N 2.96Å; V539-R543 HydrophobicContact CG1-CG 4.44Å; V539-R543 VanDerWaalsContact CG1-CZ 3.47Å; V539-R543 WeakPolarHBondContact O-CB 3.42Å; V539-R543 WeakPolarHBondContact O-CG 3.44Å; V539-R543 PolarHBondContact O-N 3.5Å; V539-E607 HydrophobicContact CG2-CB 4.28Å; V539-E607 HydrophobicContact CG2-CG 4.14Å; V539-C610 HydrophobicContact CG2-CB 4.04Å
540R97.4Very high94.1Very high103 Ų10334.1 Ų34.139%0.38916%0.164SC..Hα-helixtrans-60.8-41.7174.9-70.7-172.6-47.4-96.1-1111.6E521 D536 V538 R543 L544E521-R540 HydrophobicContact CG-CB 4.08Å; E521-R540 IonicContact OE1-CZ 3.52Å; E521-R540 IonicContact OE1-NE 2.65Å; E521-R540 PolarHBondContact OE1-NE 3.38Å; E521-R540 IonicContact OE1-NH2 3.83Å; E521-R540 PolarHBondContact OE1-NH2 3.2Å; D536-R540 VanDerWaalsContact CB-NH1 3.28Å; D536-R540 WeakPolarHBondContact O-CB 3.13Å; D536-R540 VanDerWaalsContact O-CG 3.29Å; D536-R540 WeakPolarHBondContact O-CG 3.38Å; D536-R540 PolarHBondContact O-N 2.92Å; V538-R540 PolarHBondContact O-N 2.72Å; R540-R543 PolarHBondContact O-N 3.32Å; R540-L544 WeakPolarHBondContact O-CB 3.4Å; R540-L544 VanDerWaalsContact O-CG 3.28Å; R540-L544 WeakPolarHBondContact O-CG 3.33Å; R540-L544 PolarHBondContact O-N 3.18Å
541T97.3Very high93.8Very high1 Ų138.3 Ų38.31%0.00619%0.186CC..Hα-helixtrans-58-48.9175.3-60.80000111.6A518 L522 C537 V538 V539 L544 I545A518-T541 HydrophobicContact CB-CG2 4.33Å; L522-T541 HydrophobicContact CB-CG2 3.95Å; L522-T541 HydrophobicContact CD1-CG2 4.38Å; C537-T541 WeakPolarHBondContact O-CB 3.47Å; C537-T541 PolarHBondContact O-N 3.36Å; C537-T541 PolarHBondContact O-OG1 3.37Å; V538-T541 WeakPolarHBondContact O-CB 3.36Å; V538-T541 PolarHBondContact O-N 2.99Å; V539-T541 VanDerWaalsContact C-N 3.33Å; V539-T541 PolarHBondContact O-N 3.39Å; T541-L544 PolarHBondContact O-N 2.94Å; T541-I545 HydrophobicContact CG2-CD1 4.27Å; T541-I545 WeakPolarHBondContact O-CG1 3.22Å; T541-I545 PolarHBondContact O-N 3.12Å
542L95.9Very high93.5Very high6 Ų639.4 Ų39.43%0.03119%0.191CC..Hα-helixtrans-68.9-37.6-179.8-88.474.3000112.4V538 V539 L544 I545 C546 L571 L575 C610V538-L542 HydrophobicContact CG1-CD1 3.97Å; V538-L542 VanDerWaalsContact O-CD1 3.29Å; V538-L542 WeakPolarHBondContact O-CD1 3.42Å; V538-L542 PolarHBondContact O-N 2.85Å; V539-L542 PolarHBondContact O-N 2.96Å; L542-L544 VanDerWaalsContact C-N 3.33Å; L542-L544 PolarHBondContact O-N 3.48Å; L542-I545 WeakPolarHBondContact O-CB 3.2Å; L542-I545 PolarHBondContact O-N 2.91Å; L542-C546 PolarHBondContact O-N 2.85Å; L542-C546 PolarHBondContact O-SG 3.06Å; L542-C546 VanDerWaalsContact O-SG 3.4Å; L542-L571 HydrophobicContact CD2-CD2 4.24Å; L542-L575 HydrophobicContact CD1-CD2 3.62Å; L542-L575 HydrophobicContact CD2-CD1 4.19Å; L542-L575 HydrophobicContact CG-CD1 4.36Å; L542-L575 HydrophobicContact CG-CD2 3.94Å; L542-C610 HydrophobicContact CD2-CB 3.85Å
543R95.4Very high93.1Very high134 Ų13441.6 Ų41.651%0.50620%0.197SC..Hα-helixtrans-62.7-38.6173.1-71.2175.2-179.9170.10.7112.1V539 R540 C546 G547 E606V539-R543 HydrophobicContact CG1-CG 4.44Å; V539-R543 VanDerWaalsContact CG1-CZ 3.47Å; V539-R543 WeakPolarHBondContact O-CB 3.42Å; V539-R543 WeakPolarHBondContact O-CG 3.44Å; V539-R543 PolarHBondContact O-N 3.5Å; R540-R543 PolarHBondContact O-N 3.32Å; R543-C546 PolarHBondContact O-N 3.4Å; R543-G547 PolarHBondContact O-N 3.45Å; R543-E606 IonicContact CZ-OE1 2.75Å; R543-E606 VanDerWaalsContact CZ-OE1 3.27Å; R543-E606 IonicContact CZ-OE2 3.16Å; R543-E606 IonicContact NE-OE1 2.71Å; R543-E606 PolarHBondContact NE-OE1 3.48Å; R543-E606 IonicContact NE-OE2 3.27Å; R543-E606 IonicContact NH2-OE1 3.71Å; R543-E606 PolarHBondContact NH2-OE1 2.96Å; R543-E606 IonicContact NH2-OE2 2.71Å; R543-E606 PolarHBondContact NH2-OE2 2.86Å
544L95.7Very high92.6Very high55 Ų5541.9 Ų41.929%0.28821%0.207SC..Hα-helixtrans-65.1-40.1173.1-74.2166.7000112.2V517 A518 E521 R540 T541 L542 G547 C548V517-L544 HydrophobicContact CG1-CD1 4.23Å; V517-L544 HydrophobicContact CG1-CD2 4.01Å; A518-L544 HydrophobicContact CB-CB 4.15Å; E521-L544 HydrophobicContact CB-CD1 3.62Å; E521-L544 HydrophobicContact CG-CD1 3.86Å; R540-L544 WeakPolarHBondContact O-CB 3.4Å; R540-L544 VanDerWaalsContact O-CG 3.28Å; R540-L544 WeakPolarHBondContact O-CG 3.33Å; R540-L544 PolarHBondContact O-N 3.18Å; T541-L544 PolarHBondContact O-N 2.94Å; L542-L544 VanDerWaalsContact C-N 3.33Å; L542-L544 PolarHBondContact O-N 3.48Å; L544-G547 PolarHBondContact O-N 2.86Å; L544-C548 WeakPolarHBondContact O-CB 3.29Å; L544-C548 PolarHBondContact O-N 3.43Å; L544-C548 PolarHBondContact O-SG 2.78Å
545I94.6Very high91.7Very high0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-58.6-50172.5-74168000110.5Y515 A518 T541 L542 G547 C548 A549 L571 I574 L575 V578Y515-I545 HydrophobicContact CD1-CG1 4.4Å; Y515-I545 HydrophobicContact CE1-CG2 4.28Å; Y515-I545 WeakPolarHBondContact CE1-O 3.38Å; A518-I545 HydrophobicContact CB-CD1 4.39Å; A518-I545 HydrophobicContact CB-CG1 3.64Å; T541-I545 HydrophobicContact CG2-CD1 4.27Å; T541-I545 WeakPolarHBondContact O-CG1 3.22Å; T541-I545 PolarHBondContact O-N 3.12Å; L542-I545 WeakPolarHBondContact O-CB 3.2Å; L542-I545 PolarHBondContact O-N 2.91Å; I545-G547 PolarHBondContact O-N 3.34Å; I545-C548 PolarHBondContact O-N 2.94Å; I545-A549 VanDerWaalsContact O-CB 3.28Å; I545-A549 WeakPolarHBondContact O-CB 3.5Å; I545-A549 PolarHBondContact O-N 2.78Å; I545-L571 HydrophobicContact CG2-CD1 3.74Å; I545-I574 HydrophobicContact CG1-CG2 4.35Å; I545-I574 HydrophobicContact CG2-CB 4.14Å; I545-I574 HydrophobicContact CG2-CD1 4.45Å; I545-I574 HydrophobicContact CG2-CG2 3.53Å; I545-L575 HydrophobicContact CD1-CD2 3.44Å; I545-L575 VanDerWaalsContact CD1-CD2 3.44Å; I545-L575 HydrophobicContact CD1-CG 4.06Å; I545-V578 HydrophobicContact CD1-CB 4.37Å; I545-V578 HydrophobicContact CD1-CG1 4.43Å; I545-V578 HydrophobicContact CD1-CG2 3.99Å; I545-V578 HydrophobicContact CG1-CG2 4.17Å
546C92.6Very high90.6Very high39 Ų3951.2 Ų51.226%0.26425%0.25SS..Hα-helixtrans-60.5-46.3179.2-68.30000111.9L542 R543 A549 E550 I566L542-C546 PolarHBondContact O-N 2.85Å; L542-C546 PolarHBondContact O-SG 3.06Å; L542-C546 VanDerWaalsContact O-SG 3.4Å; R543-C546 PolarHBondContact O-N 3.4Å; C546-A549 PolarHBondContact O-N 3.34Å; C546-E550 WeakPolarHBondContact O-CG 3.47Å; C546-E550 PolarHBondContact O-N 3.11Å; C546-I566 HydrophobicContact CB-CD1 4.02Å; C546-I566 WeakPolarHBondContact O-CD1 3.26Å
547G91.2Very high89Confident30 Ų3049.8 Ų49.831%0.30925%0.254SS..Hα-helixtrans-58.8-49.1176.200000113.1R543 L544 I545 A549 E550 D551R543-G547 PolarHBondContact O-N 3.45Å; L544-G547 PolarHBondContact O-N 2.86Å; I545-G547 PolarHBondContact O-N 3.34Å; G547-A549 VanDerWaalsContact C-N 3.34Å; G547-A549 PolarHBondContact O-N 3.44Å; G547-E550 PolarHBondContact O-N 2.96Å; G547-D551 PolarHBondContact O-N 3.08Å
548C90.8Very high86.9Confident21 Ų2154.1 Ų54.114%0.14230%0.298CS..Hα-helixtrans-60.3-43.7177.5-67.50000112Y515 L544 I545 D551 Y552Y515-C548 HydrophobicContact CD1-CB 3.58Å; Y515-C548 HydrophobicContact CE1-CB 3.57Å; L544-C548 WeakPolarHBondContact O-CB 3.29Å; L544-C548 PolarHBondContact O-N 3.43Å; L544-C548 PolarHBondContact O-SG 2.78Å; I545-C548 PolarHBondContact O-N 2.94Å; C548-D551 PolarHBondContact O-N 3.29Å; C548-Y552 HydrophobicContact CB-CD2 4.48Å; C548-Y552 HydrophobicContact CB-CE2 3.91Å; C548-Y552 WeakPolarHBondContact O-CD2 3.45Å; C548-Y552 PolarHBondContact O-N 2.9Å
549A89.5Confident84.6Confident0 Ų056.9 Ų56.90%033%0.327CS..Hα-helixtrans-65.8-38.5179.700000112.5L501 Y515 I545 C546 G547 R553 I566 I574L501-A549 HydrophobicContact CD2-CB 4.42Å; Y515-A549 HydrophobicContact CE1-CB 4.15Å; Y515-A549 WeakPolarHBondContact OH-CB 3.35Å; I545-A549 VanDerWaalsContact O-CB 3.28Å; I545-A549 WeakPolarHBondContact O-CB 3.5Å; I545-A549 PolarHBondContact O-N 2.78Å; C546-A549 PolarHBondContact O-N 3.34Å; G547-A549 VanDerWaalsContact C-N 3.34Å; G547-A549 PolarHBondContact O-N 3.44Å; A549-R553 VanDerWaalsContact O-CB 3.3Å; A549-R553 WeakPolarHBondContact O-CB 3.3Å; A549-R553 PolarHBondContact O-N 3.41Å; A549-R553 VanDerWaalsContact O-N 3.12Å; A549-I566 HydrophobicContact CB-CD1 3.42Å; A549-I566 VanDerWaalsContact CB-CD1 3.42Å; A549-I566 HydrophobicContact CB-CG1 4.27Å; A549-I574 HydrophobicContact CB-CD1 4.29Å
550E88.1Confident82.4Confident91 Ų9162.1 Ų62.143%0.42537%0.371SS..Hα-helixtrans-64.6-45.2171.8-73.9-178.4-17400111.5C546 G547 R553 N554 I566C546-E550 WeakPolarHBondContact O-CG 3.47Å; C546-E550 PolarHBondContact O-N 3.11Å; G547-E550 PolarHBondContact O-N 2.96Å; E550-R553 PolarHBondContact O-N 3.08Å; E550-N554 WeakPolarHBondContact O-CB 3.37Å; E550-N554 PolarHBondContact O-N 3.31Å; E550-N554 PolarHBondContact O-ND2 3.39Å; E550-I566 HydrophobicContact CG-CD1 4.03Å
551D87.1Confident80.2Confident92 Ų9262.4 Ų62.449%0.49239%0.389SS..Hα-helixtrans-60.5-48177.4-79.9-24.2000112.5G547 C548 R553 N554 Q555G547-D551 PolarHBondContact O-N 3.08Å; C548-D551 PolarHBondContact O-N 3.29Å; D551-R553 VanDerWaalsContact C-N 3.29Å; D551-R553 PolarHBondContact O-N 2.96Å; D551-N554 PolarHBondContact O-N 2.82Å; D551-Q555 VanDerWaalsContact O-CG 3.23Å; D551-Q555 WeakPolarHBondContact O-CG 3.4Å; D551-Q555 PolarHBondContact O-N 3.26Å; D551-Q555 PolarHBondContact O-NE2 2.84Å
552Y87Confident78Confident23 Ų2374 Ų749%0.0943%0.433CS..Hα-helixtrans-61.8-38.5177.5-59.6-35.8000111.9L501 P503 L509 P514 Y515 C548 Q555 Q556L501-Y552 VanDerWaalsContact O-CD2 3.26Å; L501-Y552 WeakPolarHBondContact O-CD2 3.37Å; P503-Y552 HydrophobicContact CG-CD1 4.24Å; P503-Y552 HydrophobicContact CG-CE1 4.07Å; L509-Y552 HydrophobicContact CD2-CE1 4.35Å; P514-Y552 HydrophobicContact CB-CE2 4.49Å; Y515-Y552 HydrophobicContact CD1-CE2 4.42Å; Y515-Y552 HydrophobicContact CD2-CE2 4.35Å; Y515-Y552 HydrophobicContact CE1-CE2 4.13Å; Y515-Y552 HydrophobicContact CE2-CD2 4.43Å; Y515-Y552 HydrophobicContact CE2-CE2 4.05Å; Y515-Y552 AromaticContact CZ-CE2 3.95Å; Y515-Y552 PolarHBondContact N-OH 2.81Å; C548-Y552 HydrophobicContact CB-CD2 4.48Å; C548-Y552 HydrophobicContact CB-CE2 3.91Å; C548-Y552 WeakPolarHBondContact O-CD2 3.45Å; C548-Y552 PolarHBondContact O-N 2.9Å; Y552-Q555 PolarHBondContact O-N 3.17Å; Y552-Q556 WeakPolarHBondContact O-CG 3.46Å; Y552-Q556 PolarHBondContact O-N 3.32Å; Y552-Q556 VanDerWaalsContact O-N 3.15Å
553R83Confident75.9Confident84 Ų8477.4 Ų77.432%0.31746%0.461SS..Hα-helixtrans-67.3-39.9176-175.6176.6178.9172-4.7112.4K500 L501 A549 E550 D551 Q555 Q556 G557 A564K500-R553 WeakPolarHBondContact O-CA 3.42Å; L501-R553 HydrophobicContact CD2-CB 4.26Å; A549-R553 VanDerWaalsContact O-CB 3.3Å; A549-R553 WeakPolarHBondContact O-CB 3.3Å; A549-R553 PolarHBondContact O-N 3.41Å; A549-R553 VanDerWaalsContact O-N 3.12Å; E550-R553 PolarHBondContact O-N 3.08Å; D551-R553 VanDerWaalsContact C-N 3.29Å; D551-R553 PolarHBondContact O-N 2.96Å; R553-Q555 VanDerWaalsContact C-N 3.33Å; R553-Q556 PolarHBondContact O-N 2.82Å; R553-G557 PolarHBondContact O-N 3.47Å; R553-A564 PolarHBondContact NH1-O 3.2Å
554N81.1Confident74.1Confident111 Ų11173.9 Ų73.959%0.59446%0.461SS*.Hα-helixtrans-65.9-35.8176-71.1-33.1000111.8E550 D551E550-N554 WeakPolarHBondContact O-CB 3.37Å; E550-N554 PolarHBondContact O-N 3.31Å; E550-N554 PolarHBondContact O-ND2 3.39Å; D551-N554 PolarHBondContact O-N 2.82Å
555Q77.8Confident72.8Confident118 Ų11875.1 Ų75.155%0.55148%0.479SS*.Hα-helixtrans-69-35.7176.5-70.1164.733.600112.8D551 Y552 R553D551-Q555 VanDerWaalsContact O-CG 3.23Å; D551-Q555 WeakPolarHBondContact O-CG 3.4Å; D551-Q555 PolarHBondContact O-N 3.26Å; D551-Q555 PolarHBondContact O-NE2 2.84Å; Y552-Q555 PolarHBondContact O-N 3.17Å; R553-Q555 VanDerWaalsContact C-N 3.33Å
556Q72.4Confident72.2Confident82 Ų8276.5 Ų76.538%0.38349%0.487SS..Hα-helixtrans-82.8-26.8175.4-64.6-171.931.400113.4L499 F502 Y552 R553 G558L499-Q556 PolarHBondContact O-NE2 2.99Å; L499-Q556 PolarHBondContact O-OE1 3.33Å; F502-Q556 PolarHBondContact O-NE2 3.02Å; Y552-Q556 WeakPolarHBondContact O-CG 3.46Å; Y552-Q556 PolarHBondContact O-N 3.32Å; Y552-Q556 VanDerWaalsContact O-N 3.15Å; R553-Q556 PolarHBondContact O-N 2.82Å; Q556-G558 PolarHBondContact O-N 3.36Å
557G61.9Low71.8Confident47 Ų4776 Ų7649%0.48549%0.487SS..  trans-88.778.8-17500000113.8R553 G559R553-G557 PolarHBondContact O-N 3.47Å; G557-G559 VanDerWaalsContact C-N 3.27Å; G557-G559 PolarHBondContact O-N 2.88Å
558G51.4Low71.3Confident93 Ų9377.3 Ų77.396%0.95950%0.496SS*.  trans-64.473.5176.200000115.1Q556Q556-G558 PolarHBondContact O-N 3.36Å
559G49.5Very low71Confident59 Ų5983.3 Ų83.361%0.60853%0.526SS*.SBendtrans129.1107.5167.200000115.7G557 S561G557-G559 VanDerWaalsContact C-N 3.27Å; G557-G559 PolarHBondContact O-N 2.88Å; G559-S561 PolarHBondContact O-N 3.39Å
560A51.3Low71Confident115 Ų11585.6 Ų85.695%0.9554%0.538SS*.  trans48.117.5146.300000120.5R562A560-R562 PolarHBondContact O-N 3.15Å
561S50.6Low71.2Confident110 Ų11081.8 Ų81.877%0.76952%0.521SS*.  trans-80.4103.6170.2-161.70000109.6G559 A563G559-S561 PolarHBondContact O-N 3.39Å; S561-A563 PolarHBondContact O-N 3.05Å
562R51.7Low71.5Confident244 Ų24480.3 Ų80.392%0.92151%0.513SS*.  trans-56.8128.5-178.9-125.6176.6179.6169.1-2.1110.2A560 A564A560-R562 PolarHBondContact O-N 3.15Å; R562-A564 PolarHBondContact O-N 2.85Å
563A51.6Low71.8Confident77 Ų7780.3 Ų80.364%0.63652%0.516SS*.  trans-39.4120-175.300000114.2S561S561-A563 PolarHBondContact O-N 3.05Å
564A57.4Low72.4Confident61 Ų6176.3 Ų76.350%0.50450%0.501SS..PPolyproline II helixtrans-76120.7144.300000105.6R553 R562R553-A564 PolarHBondContact NH1-O 3.2Å; R562-A564 PolarHBondContact O-N 2.85Å
565A69.4Low73Confident81 Ų8171.1 Ų71.167%0.66947%0.473SS*.PPolyproline II helixtrans-55.2152.4175.100000110.4G567A565-G567 PolarHBondContact O-N 3.08Å
566I80.6Confident73.8Confident29 Ų2965.5 Ų65.515%0.14945%0.446CS..PPolyproline II helixtrans-60.9123.8176.8-65.4158.4000108.2C546 A549 E550 D570 L571C546-I566 HydrophobicContact CB-CD1 4.02Å; C546-I566 WeakPolarHBondContact O-CD1 3.26Å; A549-I566 HydrophobicContact CB-CD1 3.42Å; A549-I566 VanDerWaalsContact CB-CD1 3.42Å; A549-I566 HydrophobicContact CB-CG1 4.27Å; E550-I566 HydrophobicContact CG-CD1 4.03Å; I566-D570 HydrophobicContact CG2-CB 3.74Å; I566-L571 HydrophobicContact CG2-CB 4.34Å
567G83.9Confident74.9Confident27 Ų2761.7 Ų61.728%0.27843%0.429SS..PPolyproline II helixtrans-78164.8178.100000112.1A565 D569 D570 L571A565-G567 PolarHBondContact O-N 3.08Å; G567-D569 PolarHBondContact O-N 2.99Å; G567-D570 PolarHBondContact N-OD2 3.2Å; G567-D570 VanDerWaalsContact N-OD2 3.12Å; G567-D570 PolarHBondContact O-N 3.45Å; G567-D570 VanDerWaalsContact O-N 3.1Å; G567-L571 WeakPolarHBondContact O-CB 3.46Å; G567-L571 PolarHBondContact O-N 3.37Å
568A81.4Confident76.5Confident59 Ų5959.5 Ų59.549%0.48841%0.406SS..Hα-helixtrans-58.3-35.8170.400000111.7D570 L571 L572A568-D570 VanDerWaalsContact C-N 3.31Å; A568-D570 PolarHBondContact O-N 2.86Å; A568-L571 PolarHBondContact O-N 3Å; A568-L572 PolarHBondContact O-N 3.32Å; A568-L572 VanDerWaalsContact O-N 3.14Å
569D85.4Confident78.5Confident147 Ų14755 Ų5579%0.78636%0.36SS*.Hα-helixtrans-65.1-30.8176.3-52.9-52.9000113G567 P573G567-D569 PolarHBondContact O-N 2.99Å; D569-P573 WeakPolarHBondContact O-CD 3.28Å
570D89.6Confident80.6Confident47 Ų4752.3 Ų52.325%0.25133%0.332SS..Hα-helixtrans-80-34.4174.3-65.8-50.7000111.5L501 I566 G567 A568 I574L501-D570 HydrophobicContact CD1-CB 3.81Å; I566-D570 HydrophobicContact CG2-CB 3.74Å; G567-D570 PolarHBondContact N-OD2 3.2Å; G567-D570 VanDerWaalsContact N-OD2 3.12Å; G567-D570 PolarHBondContact O-N 3.45Å; G567-D570 VanDerWaalsContact O-N 3.1Å; A568-D570 VanDerWaalsContact C-N 3.31Å; A568-D570 PolarHBondContact O-N 2.86Å; D570-I574 VanDerWaalsContact O-CD1 3.23Å; D570-I574 WeakPolarHBondContact O-CD1 3.38Å; D570-I574 WeakPolarHBondContact O-CG1 3.41Å
571L92.1Very high82.6Confident11 Ų1149.7 Ų49.76%0.05830%0.297CS..Hα-helixtrans-73.4-42.6-173.4179.562.1000113L542 I545 I566 G567 A568 I574 L575 Y609L542-L571 HydrophobicContact CD2-CD2 4.24Å; I545-L571 HydrophobicContact CG2-CD1 3.74Å; I566-L571 HydrophobicContact CG2-CB 4.34Å; G567-L571 WeakPolarHBondContact O-CB 3.46Å; G567-L571 PolarHBondContact O-N 3.37Å; A568-L571 PolarHBondContact O-N 3Å; L571-I574 PolarHBondContact O-N 3.4Å; L571-L575 HydrophobicContact CD1-CD1 4.11Å; L571-L575 HydrophobicContact CD1-CG 4.12Å; L571-L575 HydrophobicContact CD2-CD1 4.29Å; L571-L575 HydrophobicContact CG-CD1 3.81Å; L571-L575 HydrophobicContact CG-CG 4.29Å; L571-L575 PolarHBondContact O-N 3.22Å; L571-Y609 HydrophobicContact CD2-CE1 4.43Å
572L92.9Very high84.5Confident61 Ų6144.4 Ų44.432%0.31926%0.26SS..Hα-helixtrans-61.3-43.8-175.2-169.582.4000113.4A568 I574 L575 S576 A617A568-L572 PolarHBondContact O-N 3.32Å; A568-L572 VanDerWaalsContact O-N 3.14Å; L572-I574 VanDerWaalsContact C-N 3.34Å; L572-I574 PolarHBondContact O-N 3.19Å; L572-L575 PolarHBondContact O-N 2.81Å; L572-S576 WeakPolarHBondContact O-CB 3.42Å; L572-S576 PolarHBondContact O-N 3.01Å; L572-S576 PolarHBondContact O-OG 3.28Å; L572-A617 HydrophobicContact CD1-CB 4.05Å
573P93.4Very high86.2Confident24 Ų2438.9 Ų38.916%0.15625%0.245CC..Hα-helixtrans-61.8-38.5173.5-24.936.2000113.2V497 D569 S576 F577V497-P573 HydrophobicContact CG2-CB 3.96Å; D569-P573 WeakPolarHBondContact O-CD 3.28Å; P573-S576 PolarHBondContact O-N 3.11Å; P573-F577 PolarHBondContact O-N 2.93Å
574I94.7Very high88.2Confident0 Ų036 Ų360%022%0.22CC..Hα-helixtrans-68.4-45179.5-59162.1000110.5V497 L501 Y515 I545 A549 D570 L571 L572 S576 F577 V578V497-I574 HydrophobicContact CB-CG1 4.48Å; V497-I574 HydrophobicContact CG1-CD1 4.46Å; V497-I574 HydrophobicContact CG1-CG1 3.7Å; V497-I574 HydrophobicContact CG2-CG1 4Å; L501-I574 HydrophobicContact CB-CD1 4.47Å; L501-I574 HydrophobicContact CD1-CD1 4.07Å; Y515-I574 HydrophobicContact CD1-CG2 3.89Å; Y515-I574 HydrophobicContact CD2-CG2 3.93Å; Y515-I574 HydrophobicContact CE1-CG2 3.63Å; Y515-I574 HydrophobicContact CE2-CG1 4.41Å; Y515-I574 HydrophobicContact CE2-CG2 3.67Å; Y515-I574 HydrophobicContact CG-CG2 4.01Å; Y515-I574 VanDerWaalsContact CZ-CG2 3.49Å; Y515-I574 VanDerWaalsContact OH-CD1 3.31Å; Y515-I574 WeakPolarHBondContact OH-CD1 3.34Å; I545-I574 HydrophobicContact CG1-CG2 4.35Å; I545-I574 HydrophobicContact CG2-CB 4.14Å; I545-I574 HydrophobicContact CG2-CD1 4.45Å; I545-I574 HydrophobicContact CG2-CG2 3.53Å; A549-I574 HydrophobicContact CB-CD1 4.29Å; D570-I574 VanDerWaalsContact O-CD1 3.23Å; D570-I574 WeakPolarHBondContact O-CD1 3.38Å; D570-I574 WeakPolarHBondContact O-CG1 3.41Å; L571-I574 PolarHBondContact O-N 3.4Å; L572-I574 VanDerWaalsContact C-N 3.34Å; L572-I574 PolarHBondContact O-N 3.19Å; I574-S576 VanDerWaalsContact C-N 3.28Å; I574-S576 PolarHBondContact O-N 2.67Å; I574-F577 PolarHBondContact O-N 3.06Å; I574-V578 HydrophobicContact CG2-CG2 4.44Å; I574-V578 WeakPolarHBondContact O-CG2 3.31Å; I574-V578 PolarHBondContact O-N 3.19Å
575L95Very high89.8Confident1 Ų134.1 Ų34.11%0.00520%0.202CC..Hα-helixtrans-58.1-42.1173.9-82.3170.1000111.9L542 I545 L571 L572 F577 V578 L579 L614 A617L542-L575 HydrophobicContact CD1-CD2 3.62Å; L542-L575 HydrophobicContact CD2-CD1 4.19Å; L542-L575 HydrophobicContact CG-CD1 4.36Å; L542-L575 HydrophobicContact CG-CD2 3.94Å; I545-L575 HydrophobicContact CD1-CD2 3.44Å; I545-L575 VanDerWaalsContact CD1-CD2 3.44Å; I545-L575 HydrophobicContact CD1-CG 4.06Å; L571-L575 HydrophobicContact CD1-CD1 4.11Å; L571-L575 HydrophobicContact CD1-CG 4.12Å; L571-L575 HydrophobicContact CD2-CD1 4.29Å; L571-L575 HydrophobicContact CG-CD1 3.81Å; L571-L575 HydrophobicContact CG-CG 4.29Å; L571-L575 PolarHBondContact O-N 3.22Å; L572-L575 PolarHBondContact O-N 2.81Å; L575-F577 PolarHBondContact O-N 3.3Å; L575-V578 PolarHBondContact O-N 3.4Å; L575-L579 WeakPolarHBondContact O-CB 3.49Å; L575-L579 WeakPolarHBondContact O-CG 3.48Å; L575-L579 PolarHBondContact O-N 3.05Å; L575-L614 HydrophobicContact CD2-CD1 4.26Å; L575-A617 HydrophobicContact CB-CB 3.62Å
576S94.4Very high90.9Very high0 Ų031.9 Ų31.90%018%0.178CC..Hα-helixtrans-63-41.6177.5-56.80000111.7L572 P573 I574 L579 L580 Y620L572-S576 WeakPolarHBondContact O-CB 3.42Å; L572-S576 PolarHBondContact O-N 3.01Å; L572-S576 PolarHBondContact O-OG 3.28Å; P573-S576 PolarHBondContact O-N 3.11Å; I574-S576 VanDerWaalsContact C-N 3.28Å; I574-S576 PolarHBondContact O-N 2.67Å; S576-L579 PolarHBondContact O-N 3.34Å; S576-L580 VanDerWaalsContact O-CG 3.28Å; S576-L580 WeakPolarHBondContact O-CG 3.3Å; S576-L580 PolarHBondContact O-N 3.09Å; S576-Y620 VanDerWaalsContact OG-CD1 3.26Å; S576-Y620 WeakPolarHBondContact OG-CD1 3.25Å
577F94.4Very high91.6Very high2 Ų230.5 Ų30.51%0.00917%0.171CC..Hα-helixtrans-64.3-44.4173.2174.4-92.6000112.5P492 V495 V497 Y513 P514 Y515 P573 I574 L575 L579 L580 R581P492-F577 HydrophobicContact CB-CD2 4.35Å; P492-F577 HydrophobicContact CB-CE2 4.43Å; P492-F577 HydrophobicContact CG-CD2 4.17Å; P492-F577 HydrophobicContact CG-CE1 4.26Å; P492-F577 HydrophobicContact CG-CE2 3.76Å; P492-F577 HydrophobicContact CG-CZ 3.82Å; V495-F577 HydrophobicContact CB-CB 4.37Å; V495-F577 HydrophobicContact CG1-CB 4.32Å; V495-F577 HydrophobicContact CG2-CB 4.3Å; V495-F577 HydrophobicContact CG2-CD2 4.1Å; V497-F577 HydrophobicContact CG2-CB 4.42Å; Y513-F577 HydrophobicContact CD2-CE1 4.48Å; Y513-F577 HydrophobicContact CD2-CZ 4.45Å; P514-F577 WeakPolarHBondContact O-CE1 3.4Å; Y515-F577 HydrophobicContact CD2-CD1 4.45Å; P573-F577 PolarHBondContact O-N 2.93Å; I574-F577 PolarHBondContact O-N 3.06Å; L575-F577 PolarHBondContact O-N 3.3Å; F577-L579 VanDerWaalsContact C-N 3.35Å; F577-L579 PolarHBondContact O-N 2.9Å; F577-L580 PolarHBondContact O-N 3.03Å; F577-R581 HydrophobicContact CD1-CG 4.38Å; F577-R581 HydrophobicContact CE1-CG 3.9Å; F577-R581 HydrophobicContact CE2-CG 4.11Å; F577-R581 HydrophobicContact CZ-CG 3.75Å; F577-R581 WeakPolarHBondContact O-CG 3.21Å; F577-R581 PolarHBondContact O-N 3.28Å
578V95.1Very high92.1Very high1 Ų129.4 Ų29.41%0.00616%0.159CC..Hα-helixtrans-61.1-42.9176.6167.10000111Y515 A518 V519 L522 I545 I574 L575 R581 C582Y515-V578 HydrophobicContact CG-CG2 4.4Å; A518-V578 HydrophobicContact CB-CG1 4.46Å; A518-V578 HydrophobicContact CB-CG2 4.38Å; V519-V578 HydrophobicContact CG2-CB 4.23Å; V519-V578 HydrophobicContact CG2-CG1 3.87Å; V519-V578 HydrophobicContact CG2-CG2 4.25Å; L522-V578 HydrophobicContact CD2-CG1 3.96Å; I545-V578 HydrophobicContact CD1-CB 4.37Å; I545-V578 HydrophobicContact CD1-CG1 4.43Å; I545-V578 HydrophobicContact CD1-CG2 3.99Å; I545-V578 HydrophobicContact CG1-CG2 4.17Å; I574-V578 HydrophobicContact CG2-CG2 4.44Å; I574-V578 WeakPolarHBondContact O-CG2 3.31Å; I574-V578 PolarHBondContact O-N 3.19Å; L575-V578 PolarHBondContact O-N 3.4Å; V578-R581 PolarHBondContact O-N 3.05Å; V578-C582 WeakPolarHBondContact O-CB 3.49Å; V578-C582 PolarHBondContact O-N 3.25Å
579L94.8Very high92.8Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-59.2-51.3174-79.8170000111.8F480 M484 L522 L575 S576 F577 R581 C582 L587 L614 A617 L618F480-L579 HydrophobicContact CZ-CB 4.4Å; F480-L579 HydrophobicContact CZ-CD2 4.23Å; M484-L579 WeakPolarHBondContact CE-O 3.39Å; L522-L579 HydrophobicContact CD2-CD2 4.06Å; L575-L579 WeakPolarHBondContact O-CB 3.49Å; L575-L579 WeakPolarHBondContact O-CG 3.48Å; L575-L579 PolarHBondContact O-N 3.05Å; S576-L579 PolarHBondContact O-N 3.34Å; F577-L579 VanDerWaalsContact C-N 3.35Å; F577-L579 PolarHBondContact O-N 2.9Å; L579-R581 PolarHBondContact O-N 3.49Å; L579-C582 WeakPolarHBondContact O-CB 3.35Å; L579-C582 PolarHBondContact O-N 2.98Å; L579-L587 HydrophobicContact CD2-CD1 3.91Å; L579-L614 HydrophobicContact CD1-CD1 4.17Å; L579-L614 HydrophobicContact CD2-CD1 3.9Å; L579-L614 HydrophobicContact CG-CD1 4.12Å; L579-A617 HydrophobicContact CD1-CB 3.59Å; L579-L618 HydrophobicContact CD1-CB 4.49Å; L579-L618 HydrophobicContact CD1-CD2 3.97Å; L579-L618 HydrophobicContact CD1-CG 3.91Å; L579-L618 HydrophobicContact CD2-CD2 3.7Å; L579-L618 HydrophobicContact CD2-CG 4.21Å; L579-L618 HydrophobicContact CG-CD2 4.47Å
580L93.3Very high93.3Very high2 Ų219.7 Ų19.71%0.0110%0.099CC..Hα-helixtrans-57.3-35.6178.2-72.7170.9000112.8V495 S576 F577 V621 L624V495-L580 HydrophobicContact CG1-CD1 4.48Å; V495-L580 HydrophobicContact CG2-CD1 4.08Å; S576-L580 VanDerWaalsContact O-CG 3.28Å; S576-L580 WeakPolarHBondContact O-CG 3.3Å; S576-L580 PolarHBondContact O-N 3.09Å; F577-L580 PolarHBondContact O-N 3.03Å; L580-V621 HydrophobicContact CD2-CG1 3.65Å; L580-V621 HydrophobicContact CD2-CG2 4.37Å; L580-V621 HydrophobicContact CG-CG1 4.34Å; L580-V621 HydrophobicContact CG-CG2 4.19Å; L580-L624 HydrophobicContact CD1-CD1 4.41Å
581R91.9Very high93.6Very high59 Ų5917.5 Ų17.522%0.2239%0.087CC..Hα-helixtrans-79.3-17.3176.6-67.6-68178.9144-7.8114.2C488 T490 Y513 V519 F577 V578 L579 Q583C488-R581 PolarHBondContact O-NE 2.87Å; T490-R581 PolarHBondContact O-NH2 3.06Å; Y513-R581 HydrophobicContact CD2-CG 4.47Å; Y513-R581 HydrophobicContact CE2-CB 4.01Å; Y513-R581 HydrophobicContact CE2-CG 3.97Å; V519-R581 HydrophobicContact CG1-CB 4.22Å; V519-R581 HydrophobicContact CG2-CB 3.79Å; F577-R581 HydrophobicContact CD1-CG 4.38Å; F577-R581 HydrophobicContact CE1-CG 3.9Å; F577-R581 HydrophobicContact CE2-CG 4.11Å; F577-R581 HydrophobicContact CZ-CG 3.75Å; F577-R581 WeakPolarHBondContact O-CG 3.21Å; F577-R581 PolarHBondContact O-N 3.28Å; V578-R581 PolarHBondContact O-N 3.05Å; L579-R581 PolarHBondContact O-N 3.49Å; R581-Q583 PolarHBondContact O-N 3.43Å
582C91.2Very high93.8Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-70.4-28.7-175.9-165.40000113.6V519 L522 K523 V578 L579 C584 L587V519-C582 HydrophobicContact CG1-CB 4.25Å; L522-C582 HydrophobicContact CD2-CB 4.33Å; K523-C582 WeakPolarHBondContact CE-O 3.44Å; K523-C582 VanDerWaalsContact CG-SG 3.59Å; V578-C582 WeakPolarHBondContact O-CB 3.49Å; V578-C582 PolarHBondContact O-N 3.25Å; L579-C582 WeakPolarHBondContact O-CB 3.35Å; L579-C582 PolarHBondContact O-N 2.98Å; C582-C584 PolarHBondContact O-N 3.1Å; C582-C584 VanDerWaalsContact O-N 3.14Å; C582-L587 HydrophobicContact CB-CD1 4.11Å
583Q88.6Confident94Very high127 Ų12715 Ų1559%0.5938%0.077SC*.  trans58.421.2179.4-62.3-177.7-25.300114.6M484 R581 P585M484-Q583 VanDerWaalsContact SD-C 3.56Å; M484-Q583 WeakPolarHBondContact SD-CA 3.42Å; R581-Q583 PolarHBondContact O-N 3.43Å; Q583-P585 WeakPolarHBondContact O-CD 3.38Å
584C92.4Very high94.1Very high18 Ų1813.8 Ų13.812%0.1227%0.069CC..  trans-112.189178.9-70.90000110.6V526 C582 Q586 L587V526-C584 HydrophobicContact CG2-CB 4.22Å; C582-C584 PolarHBondContact O-N 3.1Å; C582-C584 VanDerWaalsContact O-N 3.14Å; C584-Q586 PolarHBondContact O-N 3.42Å; C584-L587 HydrophobicContact CB-CD1 3.94Å; C584-L587 HydrophobicContact CB-CG 3.8Å; C584-L587 WeakPolarHBondContact O-CB 3.24Å; C584-L587 VanDerWaalsContact O-CG 3.3Å; C584-L587 WeakPolarHBondContact O-CG 3.37Å; C584-L587 PolarHBondContact O-N 3.04Å
585P91.1Very high94.2Very high20 Ų2018.9 Ų18.913%0.139%0.093CC..THydrogen-bonded Turntrans-63-31.9-177.124.9-34.2000112.8E477 F480 Q481 Q583 L587 L588E477-P585 HydrophobicContact CG-CB 4.1Å; E477-P585 WeakPolarHBondContact CG-O 3.48Å; F480-P585 HydrophobicContact CD1-CB 4.41Å; Q481-P585 HydrophobicContact CB-CB 3.82Å; Q481-P585 HydrophobicContact CG-CB 4.07Å; Q481-P585 HydrophobicContact CG-CG 4.25Å; Q583-P585 WeakPolarHBondContact O-CD 3.38Å; P585-L587 PolarHBondContact O-N 2.97Å; P585-L588 PolarHBondContact O-N 3.37Å
586Q93.3Very high94.2Very high34 Ų3422.7 Ų22.716%0.15911%0.11CC..THydrogen-bonded Turntrans-61.4-11.7177.568.6-147.8-21.400115.2V526 C584 L588 S589 E590V526-Q586 HydrophobicContact CG1-CG 4.43Å; V526-Q586 HydrophobicContact CG2-CG 4.04Å; C584-Q586 PolarHBondContact O-N 3.42Å; Q586-L588 PolarHBondContact O-N 2.94Å; Q586-S589 PolarHBondContact O-N 3.26Å; Q586-S589 VanDerWaalsContact O-N 3.13Å; Q586-E590 WeakPolarHBondContact O-CG 3.33Å; Q586-E590 PolarHBondContact O-N 2.57Å
587L94.6Very high94.3Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-55.5-31174-74.7175.2000112.9L522 L525 V526 L579 C582 C584 P585 C591L522-L587 HydrophobicContact CD1-CD2 4.25Å; L522-L587 HydrophobicContact CD2-CD1 4Å; L522-L587 HydrophobicContact CG-CD1 4.05Å; L522-L587 HydrophobicContact CG-CD2 4.39Å; L525-L587 HydrophobicContact CD2-CD2 4.02Å; V526-L587 HydrophobicContact CG2-CD2 4.27Å; L579-L587 HydrophobicContact CD2-CD1 3.91Å; C582-L587 HydrophobicContact CB-CD1 4.11Å; C584-L587 HydrophobicContact CB-CD1 3.94Å; C584-L587 HydrophobicContact CB-CG 3.8Å; C584-L587 WeakPolarHBondContact O-CB 3.24Å; C584-L587 VanDerWaalsContact O-CG 3.3Å; C584-L587 WeakPolarHBondContact O-CG 3.37Å; C584-L587 PolarHBondContact O-N 3.04Å; P585-L587 PolarHBondContact O-N 2.97Å; L587-C591 WeakPolarHBondContact O-CB 3.29Å; L587-C591 PolarHBondContact O-N 3.39Å; L587-C591 PolarHBondContact O-SG 3.07Å
588L94.8Very high94.2Very high5 Ų523 Ų233%0.02611%0.112CC..Hα-helixtrans-65-48.3177-168.6158.2000111.1L473 R476 F480 P585 Q586 A592 L618 E622L473-L588 HydrophobicContact CB-CD2 4.05Å; L473-L588 HydrophobicContact CD1-CD2 4.07Å; L473-L588 HydrophobicContact CD2-CD2 4.21Å; L473-L588 HydrophobicContact CG-CD2 4.33Å; R476-L588 HydrophobicContact CB-CD1 3.96Å; R476-L588 HydrophobicContact CB-CD2 4.07Å; F480-L588 HydrophobicContact CB-CD1 3.97Å; F480-L588 HydrophobicContact CG-CD1 4.34Å; P585-L588 PolarHBondContact O-N 3.37Å; Q586-L588 PolarHBondContact O-N 2.94Å; L588-A592 WeakPolarHBondContact O-CB 3.36Å; L588-A592 PolarHBondContact O-N 3.28Å; L588-A592 VanDerWaalsContact O-N 3.12Å; L588-L618 HydrophobicContact CB-CD2 4.46Å; L588-E622 HydrophobicContact CD1-CG 4.1Å
589S95.7Very high93.9Very high0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-70-33.6176.9-66.80000112.9R470 E477 Q586 A593R470-S589 WeakPolarHBondContact CA-OG 3.42Å; R470-S589 VanDerWaalsContact CG-CB 3.47Å; R470-S589 WeakPolarHBondContact CG-OG 3.28Å; E477-S589 WeakPolarHBondContact OE2-CB 3.48Å; E477-S589 PolarHBondContact OE2-OG 3.45Å; Q586-S589 PolarHBondContact O-N 3.26Å; Q586-S589 VanDerWaalsContact O-N 3.13Å; S589-A593 WeakPolarHBondContact O-CB 3.42Å; S589-A593 PolarHBondContact O-N 3.28Å; S589-A593 VanDerWaalsContact O-N 3.1Å
590E96.3Very high93.6Very high1 Ų133.9 Ų33.91%0.00516%0.163CC..Hα-helixtrans-61.1-54.6170.8-74-81.1158.200110.9W462 L466 L525 K534 Q586 A592 A593 L594W462-E590 VanDerWaalsContact CZ2-OE2 3.23Å; W462-E590 WeakPolarHBondContact CZ2-OE2 3.49Å; W462-E590 PolarHBondContact NE1-OE1 3.02Å; W462-E590 PolarHBondContact NE1-OE2 3.22Å; L466-E590 HydrophobicContact CD1-CG 3.88Å; L466-E590 WeakPolarHBondContact CD2-OE1 3.45Å; L525-E590 HydrophobicContact CD2-CB 3.76Å; L525-E590 HydrophobicContact CD2-CG 3.98Å; L525-E590 WeakPolarHBondContact CD2-OE2 3.27Å; K534-E590 WeakPolarHBondContact CD-OE2 3.49Å; K534-E590 WeakPolarHBondContact CE-OE2 3.47Å; K534-E590 IonicContact NZ-OE1 3.86Å; K534-E590 PolarHBondContact NZ-OE1 3.02Å; K534-E590 IonicContact NZ-OE2 2.69Å; K534-E590 PolarHBondContact NZ-OE2 3.14Å; Q586-E590 WeakPolarHBondContact O-CG 3.33Å; Q586-E590 PolarHBondContact O-N 2.57Å; E590-A592 VanDerWaalsContact C-N 3.33Å; E590-A592 PolarHBondContact O-N 2.76Å; E590-A593 WeakPolarHBondContact O-CA 3.39Å; E590-A593 WeakPolarHBondContact O-CB 3.4Å; E590-A593 PolarHBondContact O-N 3.13Å; E590-L594 WeakPolarHBondContact O-CG 3.48Å; E590-L594 PolarHBondContact O-N 3.36Å
591C96.4Very high93.3Very high1 Ų136.5 Ų36.51%0.00718%0.181CC..Hα-helixtrans-63.5-36.3-177.7-64.60000112.8L587 A593 L594 E595 L611 L614 Q615 L618L587-C591 WeakPolarHBondContact O-CB 3.29Å; L587-C591 PolarHBondContact O-N 3.39Å; L587-C591 PolarHBondContact O-SG 3.07Å; C591-A593 VanDerWaalsContact C-N 3.33Å; C591-L594 PolarHBondContact O-N 3.46Å; C591-E595 PolarHBondContact O-N 3.19Å; C591-E595 VanDerWaalsContact O-N 3.08Å; C591-L611 HydrophobicContact CB-CD1 4.23Å; C591-L614 VanDerWaalsContact SG-CD2 3.54Å; C591-Q615 HydrophobicContact CB-CG 4.12Å; C591-L618 HydrophobicContact CB-CD1 3.87Å
592A95.9Very high93.1Very high18 Ų1836 Ų3615%0.14918%0.181CC..Hα-helixtrans-65.9-34.6172.800000112.6F469 L473 L588 E590 E596F469-A592 HydrophobicContact CD1-CB 4.13Å; F469-A592 HydrophobicContact CE1-CB 4.35Å; L473-A592 HydrophobicContact CD1-CB 3.56Å; L588-A592 WeakPolarHBondContact O-CB 3.36Å; L588-A592 PolarHBondContact O-N 3.28Å; L588-A592 VanDerWaalsContact O-N 3.12Å; E590-A592 VanDerWaalsContact C-N 3.33Å; E590-A592 PolarHBondContact O-N 2.76Å; A592-E596 WeakPolarHBondContact O-CG 3.26Å; A592-E596 PolarHBondContact O-N 3.04Å
593A96.5Very high93.1Very high1 Ų138.5 Ų38.51%0.00819%0.194CC..Hα-helixtrans-71.4-33.1173.300000112.3W462 F469 S589 E590 C591 E596 F597W462-A593 HydrophobicContact CH2-CB 3.6Å; W462-A593 HydrophobicContact CZ2-CB 4.1Å; W462-A593 HydrophobicContact CZ3-CB 4.43Å; F469-A593 HydrophobicContact CD1-CB 4.02Å; F469-A593 HydrophobicContact CD2-CB 3.87Å; F469-A593 HydrophobicContact CE1-CB 3.94Å; F469-A593 HydrophobicContact CE2-CB 3.79Å; F469-A593 HydrophobicContact CG-CB 4Å; F469-A593 HydrophobicContact CZ-CB 3.82Å; S589-A593 WeakPolarHBondContact O-CB 3.42Å; S589-A593 PolarHBondContact O-N 3.28Å; S589-A593 VanDerWaalsContact O-N 3.1Å; E590-A593 WeakPolarHBondContact O-CA 3.39Å; E590-A593 WeakPolarHBondContact O-CB 3.4Å; E590-A593 PolarHBondContact O-N 3.13Å; C591-A593 VanDerWaalsContact C-N 3.33Å; A593-E596 PolarHBondContact O-N 3Å; A593-F597 HydrophobicContact CB-CD2 4.11Å; A593-F597 HydrophobicContact CB-CE2 4.19Å; A593-F597 WeakPolarHBondContact O-CB 3.24Å; A593-F597 WeakPolarHBondContact O-CD2 3.46Å; A593-F597 WeakPolarHBondContact O-CG 3.25Å; A593-F597 PolarHBondContact O-N 3.18Å
594L96.7Very high93.1Very high0 Ų038.9 Ų38.90%020%0.199CC..Hα-helixtrans-64.1-46.4173.7-65-177.3000111.8W462 P531 K534 V538 E590 C591 E596 F597 I598 L611W462-L594 HydrophobicContact CH2-CD2 4.27Å; P531-L594 HydrophobicContact CB-CD2 4.08Å; K534-L594 HydrophobicContact CB-CD1 3.99Å; K534-L594 HydrophobicContact CB-CD2 3.64Å; K534-L594 HydrophobicContact CB-CG 4.43Å; K534-L594 HydrophobicContact CD-CD2 3.91Å; K534-L594 HydrophobicContact CG-CD2 4.44Å; V538-L594 HydrophobicContact CG2-CD1 4.43Å; E590-L594 WeakPolarHBondContact O-CG 3.48Å; E590-L594 PolarHBondContact O-N 3.36Å; C591-L594 PolarHBondContact O-N 3.46Å; L594-E596 VanDerWaalsContact C-N 3.31Å; L594-E596 PolarHBondContact O-N 3.15Å; L594-F597 PolarHBondContact O-N 3.11Å; L594-I598 HydrophobicContact CB-CD1 3.69Å; L594-I598 HydrophobicContact CB-CG1 4.49Å; L594-I598 HydrophobicContact CD2-CD1 4.16Å; L594-I598 HydrophobicContact CG-CD1 4.38Å; L594-I598 VanDerWaalsContact O-CB 3.28Å; L594-I598 WeakPolarHBondContact O-CB 3.39Å; L594-I598 WeakPolarHBondContact O-CD1 3.45Å; L594-I598 WeakPolarHBondContact O-CG1 3.25Å; L594-I598 PolarHBondContact O-N 2.98Å; L594-L611 HydrophobicContact CB-CD1 4.13Å; L594-L611 HydrophobicContact CB-CD2 4.1Å; L594-L611 HydrophobicContact CD1-CD1 4.17Å
595E95.2Very high93Very high107 Ų10739.7 Ų39.750%0.521%0.21SC..Hα-helixtrans-58.2-40.7176.1-176.1-179.9-173.600112.5C591 Q615C591-E595 PolarHBondContact O-N 3.19Å; C591-E595 VanDerWaalsContact O-N 3.08Å; E595-Q615 PolarHBondContact OE2-NE2 3.34Å
596E95.6Very high93.1Very high80 Ų8042.7 Ų42.737%0.37422%0.222SC..Hα-helixtrans-80.5-25.9-178.3-69.5-86.2-173.400114V419 H423 F469 A592 A593 L594V419-E596 HydrophobicContact CG1-CB 4.2Å; V419-E596 HydrophobicContact CG2-CB 4.21Å; H423-E596 PolarHBondContact NE2-O 2.87Å; F469-E596 HydrophobicContact CE1-CB 4.39Å; F469-E596 HydrophobicContact CE1-CG 4.14Å; F469-E596 HydrophobicContact CZ-CB 4.04Å; F469-E596 HydrophobicContact CZ-CG 4.21Å; A592-E596 WeakPolarHBondContact O-CG 3.26Å; A592-E596 PolarHBondContact O-N 3.04Å; A593-E596 PolarHBondContact O-N 3Å; L594-E596 VanDerWaalsContact C-N 3.31Å; L594-E596 PolarHBondContact O-N 3.15Å
597F95.5Very high93.1Very high1 Ų144.1 Ų44.10%0.00423%0.229CC..Hα-helixtrans-106.4-22-175.2-68.9-51.7000115.9V419 V422 H423 F458 W462 L465 F469 P531 A593 L594V419-F597 HydrophobicContact CB-CE1 4.33Å; V419-F597 HydrophobicContact CG1-CE1 4.38Å; V419-F597 HydrophobicContact CG2-CE1 3.91Å; V419-F597 HydrophobicContact CG2-CZ 4.07Å; V422-F597 HydrophobicContact CB-CD1 4.45Å; V422-F597 HydrophobicContact CB-CE1 3.96Å; V422-F597 HydrophobicContact CG1-CD1 3.83Å; V422-F597 HydrophobicContact CG1-CE1 3.75Å; V422-F597 HydrophobicContact CG2-CE1 4.05Å; H423-F597 PolarHBondContact CE1-O 3.1Å; F458-F597 HydrophobicContact CE1-CB 4.31Å; F458-F597 AromaticContact CE1-CD1 3.93Å; F458-F597 HydrophobicContact CE1-CD1 3.93Å; F458-F597 AromaticContact CE1-CD2 3.98Å; F458-F597 HydrophobicContact CE1-CD2 3.98Å; F458-F597 HydrophobicContact CE1-CE1 4.22Å; F458-F597 HydrophobicContact CE1-CE2 4.27Å; F458-F597 AromaticContact CE1-CG 3.82Å; F458-F597 HydrophobicContact CE1-CG 3.82Å; F458-F597 HydrophobicContact CE1-CZ 4.41Å; F458-F597 HydrophobicContact CZ-CB 3.9Å; F458-F597 AromaticContact CZ-CD1 3.86Å; F458-F597 HydrophobicContact CZ-CD1 3.86Å; F458-F597 HydrophobicContact CZ-CD2 4.41Å; F458-F597 AromaticContact CZ-CG 3.82Å; F458-F597 HydrophobicContact CZ-CG 3.82Å; W462-F597 HydrophobicContact CH2-CD2 4.44Å; W462-F597 AromaticContact CZ3-CD2 3.98Å; W462-F597 HydrophobicContact CZ3-CD2 3.98Å; W462-F597 HydrophobicContact CZ3-CE2 4.42Å; L465-F597 HydrophobicContact CB-CE2 4.48Å; L465-F597 HydrophobicContact CD1-CE2 4.22Å; L465-F597 HydrophobicContact CD1-CZ 4.06Å; L465-F597 HydrophobicContact CD2-CZ 4.02Å; L465-F597 HydrophobicContact CG-CZ 4.47Å; F469-F597 HydrophobicContact CD2-CE2 4.49Å; F469-F597 HydrophobicContact CE2-CD2 4.46Å; F469-F597 AromaticContact CE2-CE2 3.5Å; F469-F597 HydrophobicContact CE2-CE2 3.5Å; F469-F597 VanDerWaalsContact CE2-CE2 3.5Å; F469-F597 AromaticContact CE2-CZ 3.83Å; F469-F597 HydrophobicContact CE2-CZ 3.83Å; F469-F597 AromaticContact CZ-CE2 3.98Å; F469-F597 HydrophobicContact CZ-CE2 3.98Å; F469-F597 HydrophobicContact CZ-CZ 4.3Å; P531-F597 HydrophobicContact CG-CB 4.38Å; A593-F597 HydrophobicContact CB-CD2 4.11Å; A593-F597 HydrophobicContact CB-CE2 4.19Å; A593-F597 WeakPolarHBondContact O-CB 3.24Å; A593-F597 WeakPolarHBondContact O-CD2 3.46Å; A593-F597 WeakPolarHBondContact O-CG 3.25Å; A593-F597 PolarHBondContact O-N 3.18Å; L594-F597 PolarHBondContact O-N 3.11Å
598I93.4Very high93.2Very high8 Ų844.3 Ų44.34%0.04123%0.231CC..SBendtrans-74.5130.4179-66.7165.3000109.3P531 L535 L594 E600 F602 L603 L611P531-I598 HydrophobicContact CB-CG1 4.07Å; L535-I598 HydrophobicContact CB-CD1 3.86Å; L535-I598 HydrophobicContact CD1-CD1 3.85Å; L535-I598 HydrophobicContact CD2-CD1 3.83Å; L535-I598 HydrophobicContact CD2-CG2 4.08Å; L535-I598 HydrophobicContact CG-CD1 4.04Å; L594-I598 HydrophobicContact CB-CD1 3.69Å; L594-I598 HydrophobicContact CB-CG1 4.49Å; L594-I598 HydrophobicContact CD2-CD1 4.16Å; L594-I598 HydrophobicContact CG-CD1 4.38Å; L594-I598 VanDerWaalsContact O-CB 3.28Å; L594-I598 WeakPolarHBondContact O-CB 3.39Å; L594-I598 WeakPolarHBondContact O-CD1 3.45Å; L594-I598 WeakPolarHBondContact O-CG1 3.25Å; L594-I598 PolarHBondContact O-N 2.98Å; I598-E600 PolarHBondContact O-N 3.18Å; I598-F602 HydrophobicContact CG2-CB 3.75Å; I598-F602 HydrophobicContact CG2-CD2 4.4Å; I598-L603 HydrophobicContact CB-CD2 4.23Å; I598-L603 HydrophobicContact CB-CG 4.48Å; I598-L603 HydrophobicContact CD1-CD2 4.5Å; I598-L603 HydrophobicContact CG2-CD2 3.84Å; I598-L603 HydrophobicContact CG2-CG 3.99Å; I598-L611 HydrophobicContact CD1-CD2 4.41Å
599H89.1Confident93.2Very high85 Ų8549.6 Ų49.639%0.39425%0.252SS..  trans-62134.7176.6-177.8-90.3000111.4L450 S601 F602L450-H599 HydrophobicContact CD2-CB 4.19Å; H599-S601 PolarHBondContact CE1-OG 3.1Å; H599-S601 PolarHBondContact ND1-N 3.16Å; H599-S601 PolarHBondContact ND1-OG 3.31Å; H599-S601 PolarHBondContact O-N 3.31Å; H599-F602 HydrophobicContact CB-CD2 4.1Å; H599-F602 HydrophobicContact CB-CE2 4.34Å; H599-F602 PolarHBondContact O-N 3.09Å
600E87.8Confident93.2Very high144 Ų14449.8 Ų49.867%0.67325%0.253SS*.Hα-helixtrans-50.7-34.1-170-170.8-178179.100113.7I598 F602 L603 I604I598-E600 PolarHBondContact O-N 3.18Å; E600-F602 PolarHBondContact O-N 3.16Å; E600-L603 PolarHBondContact O-N 2.92Å; E600-I604 HydrophobicContact CG-CD1 4.38Å; E600-I604 WeakPolarHBondContact O-CG1 3.31Å; E600-I604 PolarHBondContact O-N 3.35Å
601S87.1Confident93.2Very high57 Ų5749.9 Ų49.940%0.39925%0.254SS..Hα-helixtrans-58.2-29.6177.763.70000114.6H599H599-S601 PolarHBondContact CE1-OG 3.1Å; H599-S601 PolarHBondContact ND1-N 3.16Å; H599-S601 PolarHBondContact ND1-OG 3.31Å; H599-S601 PolarHBondContact O-N 3.31Å
602F87.4Confident93.2Very high49 Ų4953.6 Ų53.622%0.21528%0.276CS..Hα-helixtrans-82.6-18.5175.2-61.2-75.8000112.4D447 L450 L535 I598 H599 E600 E607D447-F602 HydrophobicContact CB-CZ 4.26Å; L450-F602 HydrophobicContact CD2-CE2 4Å; L535-F602 HydrophobicContact CD2-CB 4.28Å; I598-F602 HydrophobicContact CG2-CB 3.75Å; I598-F602 HydrophobicContact CG2-CD2 4.4Å; H599-F602 HydrophobicContact CB-CD2 4.1Å; H599-F602 HydrophobicContact CB-CE2 4.34Å; H599-F602 PolarHBondContact O-N 3.09Å; E600-F602 PolarHBondContact O-N 3.16Å; F602-E607 WeakPolarHBondContact O-CB 3.21Å
603L91.3Very high93.2Very high53 Ų5353.4 Ų53.428%0.27727%0.274SS..Hα-helixtrans-83.5-14.8175.6-58.3179.3000112.1I598 E600 G605 G608 L611I598-L603 HydrophobicContact CB-CD2 4.23Å; I598-L603 HydrophobicContact CB-CG 4.48Å; I598-L603 HydrophobicContact CD1-CD2 4.5Å; I598-L603 HydrophobicContact CG2-CD2 3.84Å; I598-L603 HydrophobicContact CG2-CG 3.99Å; E600-L603 PolarHBondContact O-N 2.92Å; L603-G605 VanDerWaalsContact C-N 3.25Å; L603-G605 PolarHBondContact O-N 3.07Å; L603-G605 VanDerWaalsContact O-N 3.08Å; L603-G608 WeakPolarHBondContact O-CA 3.45Å; L603-L611 HydrophobicContact CD2-CD2 3.97Å
604I88.1Confident93.2Very high134 Ų13453.4 Ų53.469%0.68727%0.274SS*.SBendtrans-85.464.4173.4-53.3164.8000109.2E600E600-I604 HydrophobicContact CG-CD1 4.38Å; E600-I604 WeakPolarHBondContact O-CG1 3.31Å; E600-I604 PolarHBondContact O-N 3.35Å
605G90.3Very high93.2Very high36 Ų3655.4 Ų55.437%0.37128%0.283SS..SBendtrans-172.2-166.7-171.600000116.1L603 Y609L603-G605 VanDerWaalsContact C-N 3.25Å; L603-G605 PolarHBondContact O-N 3.07Å; L603-G605 VanDerWaalsContact O-N 3.08Å; G605-Y609 PolarHBondContact O-N 2.94Å
606E93.4Very high93.2Very high82 Ų8253.1 Ų53.138%0.38328%0.279SS..Hα-helixtrans-63.7-38.4171.3179.1-176.3167.800109.9R543 Y609 C610R543-E606 IonicContact CZ-OE1 2.75Å; R543-E606 VanDerWaalsContact CZ-OE1 3.27Å; R543-E606 IonicContact CZ-OE2 3.16Å; R543-E606 IonicContact NE-OE1 2.71Å; R543-E606 PolarHBondContact NE-OE1 3.48Å; R543-E606 IonicContact NE-OE2 3.27Å; R543-E606 IonicContact NH2-OE1 3.71Å; R543-E606 PolarHBondContact NH2-OE1 2.96Å; R543-E606 IonicContact NH2-OE2 2.71Å; R543-E606 PolarHBondContact NH2-OE2 2.86Å; E606-Y609 PolarHBondContact O-N 3.2Å; E606-C610 VanDerWaalsContact O-CB 3.3Å; E606-C610 WeakPolarHBondContact O-CB 3.37Å; E606-C610 PolarHBondContact O-N 3.42Å; E606-C610 PolarHBondContact O-SG 3.48Å
607E94.5Very high93.2Very high64 Ų6449.3 Ų49.330%0.29926%0.261SS..Hα-helixtrans-56.3-52178.9-6178-17700111.6L535 V539 F602 C610 L611L535-E607 HydrophobicContact CD1-CB 4.18Å; L535-E607 HydrophobicContact CD2-CB 3.68Å; L535-E607 HydrophobicContact CD2-CG 4.11Å; L535-E607 HydrophobicContact CG-CB 3.94Å; L535-E607 HydrophobicContact CG-CG 4.41Å; V539-E607 HydrophobicContact CG2-CB 4.28Å; V539-E607 HydrophobicContact CG2-CG 4.14Å; F602-E607 WeakPolarHBondContact O-CB 3.21Å; E607-C610 WeakPolarHBondContact O-CB 3.29Å; E607-C610 PolarHBondContact O-N 3.47Å; E607-L611 PolarHBondContact O-N 2.94Å
608G95.3Very high93.2Very high4 Ų449.4 Ų49.44%0.04126%0.262CS..Hα-helixtrans-64.8-43.2175.500000112.9L603 C610 L611 T612L603-G608 WeakPolarHBondContact O-CA 3.45Å; G608-C610 VanDerWaalsContact C-N 3.26Å; G608-C610 PolarHBondContact O-N 2.95Å; G608-L611 PolarHBondContact O-N 3.27Å; G608-T612 WeakPolarHBondContact O-CB 3.31Å; G608-T612 PolarHBondContact O-N 2.97Å; G608-T612 PolarHBondContact O-OG1 2.82Å
609Y95.2Very high93.2Very high116 Ų11651.1 Ų51.146%0.45528%0.277SS..Hα-helixtrans-57.8-40.6173.4172.5-101.7000112L571 G605 E606 S613L571-Y609 HydrophobicContact CD2-CE1 4.43Å; G605-Y609 PolarHBondContact O-N 2.94Å; E606-Y609 PolarHBondContact O-N 3.2Å; Y609-S613 VanDerWaalsContact O-CB 3.28Å; Y609-S613 WeakPolarHBondContact O-CB 3.36Å; Y609-S613 PolarHBondContact O-N 2.85Å; Y609-S613 PolarHBondContact O-OG 3.31Å
610C96.3Very high93.4Very high5 Ų551.3 Ų51.33%0.03428%0.275CS..Hα-helixtrans-67.7-44.2178.8-72.10000112V538 V539 L542 E606 E607 G608 S613 L614V538-C610 HydrophobicContact CG1-CB 4.1Å; V539-C610 HydrophobicContact CG2-CB 4.04Å; L542-C610 HydrophobicContact CD2-CB 3.85Å; E606-C610 VanDerWaalsContact O-CB 3.3Å; E606-C610 WeakPolarHBondContact O-CB 3.37Å; E606-C610 PolarHBondContact O-N 3.42Å; E606-C610 PolarHBondContact O-SG 3.48Å; E607-C610 WeakPolarHBondContact O-CB 3.29Å; E607-C610 PolarHBondContact O-N 3.47Å; G608-C610 VanDerWaalsContact C-N 3.26Å; G608-C610 PolarHBondContact O-N 2.95Å; C610-S613 PolarHBondContact O-N 3.02Å; C610-L614 PolarHBondContact O-N 3.44Å
611L96.8Very high93.7Very high3 Ų344.5 Ų44.52%0.01624%0.243CC..Hα-helixtrans-62.2-48.8174.6-177.760.7000111.6L535 C591 L594 I598 L603 E607 G608 S613 L614 Q615L535-L611 HydrophobicContact CD1-CB 4.15Å; L535-L611 HydrophobicContact CD1-CD2 4.43Å; C591-L611 HydrophobicContact CB-CD1 4.23Å; L594-L611 HydrophobicContact CB-CD1 4.13Å; L594-L611 HydrophobicContact CB-CD2 4.1Å; L594-L611 HydrophobicContact CD1-CD1 4.17Å; I598-L611 HydrophobicContact CD1-CD2 4.41Å; L603-L611 HydrophobicContact CD2-CD2 3.97Å; E607-L611 PolarHBondContact O-N 2.94Å; G608-L611 PolarHBondContact O-N 3.27Å; L611-S613 VanDerWaalsContact C-N 3.31Å; L611-S613 PolarHBondContact O-N 3.24Å; L611-L614 PolarHBondContact O-N 3.03Å; L611-L614 VanDerWaalsContact O-N 3.16Å; L611-Q615 HydrophobicContact CD1-CG 4.42Å; L611-Q615 WeakPolarHBondContact O-CG 3.37Å; L611-Q615 PolarHBondContact O-N 3.47Å
612T95.9Very high93.9Very high78 Ų7843.3 Ų43.348%0.47923%0.231SC..Hα-helixtrans-61.5-37.6178-560000112.3G608 Q615 S616G608-T612 WeakPolarHBondContact O-CB 3.31Å; G608-T612 PolarHBondContact O-N 2.97Å; G608-T612 PolarHBondContact O-OG1 2.82Å; T612-Q615 PolarHBondContact O-N 2.94Å; T612-S616 WeakPolarHBondContact O-CB 3.49Å; T612-S616 PolarHBondContact O-N 2.87Å; T612-S616 PolarHBondContact O-OG 3.02Å
613S96.2Very high94.1Very high15 Ų1544.9 Ų44.911%0.10525%0.248CC..Hα-helixtrans-65.9-41.2175.7-61.60000111.7Y609 C610 L611 S616 A617Y609-S613 VanDerWaalsContact O-CB 3.28Å; Y609-S613 WeakPolarHBondContact O-CB 3.36Å; Y609-S613 PolarHBondContact O-N 2.85Å; Y609-S613 PolarHBondContact O-OG 3.31Å; C610-S613 PolarHBondContact O-N 3.02Å; L611-S613 VanDerWaalsContact C-N 3.31Å; L611-S613 PolarHBondContact O-N 3.24Å; S613-S616 PolarHBondContact O-N 3.05Å; S613-A617 PolarHBondContact O-N 3.11Å
614L96.4Very high93.9Very high1 Ų143.5 Ų43.51%0.00524%0.241CC..Hα-helixtrans-65.8-42.2175-174.163.9000111.8L522 V538 L575 L579 C591 C610 L611 S616 A617 L618L522-L614 HydrophobicContact CD1-CD2 4.28Å; V538-L614 HydrophobicContact CB-CD2 4.45Å; V538-L614 HydrophobicContact CG1-CB 4.25Å; V538-L614 HydrophobicContact CG1-CD2 3.84Å; V538-L614 HydrophobicContact CG2-CD2 3.76Å; L575-L614 HydrophobicContact CD2-CD1 4.26Å; L579-L614 HydrophobicContact CD1-CD1 4.17Å; L579-L614 HydrophobicContact CD2-CD1 3.9Å; L579-L614 HydrophobicContact CG-CD1 4.12Å; C591-L614 VanDerWaalsContact SG-CD2 3.54Å; C610-L614 PolarHBondContact O-N 3.44Å; L611-L614 PolarHBondContact O-N 3.03Å; L611-L614 VanDerWaalsContact O-N 3.16Å; L614-S616 VanDerWaalsContact C-N 3.34Å; L614-S616 PolarHBondContact O-N 3.02Å; L614-A617 PolarHBondContact O-N 2.82Å; L614-L618 WeakPolarHBondContact O-CG 3.36Å; L614-L618 PolarHBondContact O-N 2.92Å
615Q96.2Very high93.5Very high41 Ų4140 Ų4019%0.19223%0.227CC..Hα-helixtrans-64.3-37.1175.7-70.9177.5-54.100112.6C591 E595 L611 T612 L618 A619C591-Q615 HydrophobicContact CB-CG 4.12Å; E595-Q615 PolarHBondContact OE2-NE2 3.34Å; L611-Q615 HydrophobicContact CD1-CG 4.42Å; L611-Q615 WeakPolarHBondContact O-CG 3.37Å; L611-Q615 PolarHBondContact O-N 3.47Å; T612-Q615 PolarHBondContact O-N 2.94Å; Q615-L618 WeakPolarHBondContact O-CB 3.48Å; Q615-L618 PolarHBondContact O-N 3.01Å; Q615-A619 WeakPolarHBondContact O-CB 3.3Å; Q615-A619 PolarHBondContact O-N 3.41Å
616S95.8Very high92.3Very high59 Ų5939.4 Ų39.441%0.41322%0.219SC..Hα-helixtrans-66.2-39.8174.9-61.30000111.4T612 S613 L614 A619 Y620T612-S616 WeakPolarHBondContact O-CB 3.49Å; T612-S616 PolarHBondContact O-N 2.87Å; T612-S616 PolarHBondContact O-OG 3.02Å; S613-S616 PolarHBondContact O-N 3.05Å; L614-S616 VanDerWaalsContact C-N 3.34Å; L614-S616 PolarHBondContact O-N 3.02Å; S616-A619 PolarHBondContact O-N 3.25Å; S616-Y620 WeakPolarHBondContact O-CB 3.25Å; S616-Y620 PolarHBondContact O-N 3.26Å
617A95.3Very high90.5Very high0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-68.9-36.3173.900000112.4L572 L575 L579 S613 L614 Y620 V621L572-A617 HydrophobicContact CD1-CB 4.05Å; L575-A617 HydrophobicContact CB-CB 3.62Å; L579-A617 HydrophobicContact CD1-CB 3.59Å; S613-A617 PolarHBondContact O-N 3.11Å; L614-A617 PolarHBondContact O-N 2.82Å; A617-Y620 PolarHBondContact O-N 3.38Å; A617-V621 WeakPolarHBondContact O-CG2 3.32Å; A617-V621 PolarHBondContact O-N 2.85Å
618L95.1Very high88.3Confident4 Ų442 Ų422%0.02124%0.238CC..Hα-helixtrans-59.6-50170.9-75.6166.7000111.1F480 L579 L588 C591 L614 Q615 Y620 V621 E622F480-L618 HydrophobicContact CD2-CD2 4.15Å; F480-L618 HydrophobicContact CE1-CD2 4Å; F480-L618 HydrophobicContact CE2-CD2 3.52Å; F480-L618 HydrophobicContact CZ-CD2 3.45Å; F480-L618 VanDerWaalsContact CZ-CD2 3.45Å; L579-L618 HydrophobicContact CD1-CB 4.49Å; L579-L618 HydrophobicContact CD1-CD2 3.97Å; L579-L618 HydrophobicContact CD1-CG 3.91Å; L579-L618 HydrophobicContact CD2-CD2 3.7Å; L579-L618 HydrophobicContact CD2-CG 4.21Å; L579-L618 HydrophobicContact CG-CD2 4.47Å; L588-L618 HydrophobicContact CB-CD2 4.46Å; C591-L618 HydrophobicContact CB-CD1 3.87Å; L614-L618 WeakPolarHBondContact O-CG 3.36Å; L614-L618 PolarHBondContact O-N 2.92Å; Q615-L618 WeakPolarHBondContact O-CB 3.48Å; Q615-L618 PolarHBondContact O-N 3.01Å; L618-Y620 VanDerWaalsContact C-N 3.32Å; L618-Y620 PolarHBondContact O-N 3.44Å; L618-V621 PolarHBondContact O-N 3.14Å; L618-V621 VanDerWaalsContact O-N 3.17Å; L618-E622 PolarHBondContact O-N 3.13Å
619A94.3Very high86Confident44 Ų4447.7 Ų47.736%0.36427%0.268SS..Hα-helixtrans-62.9-36.6178.200000112.8Q615 S616 E622 S623Q615-A619 WeakPolarHBondContact O-CB 3.3Å; Q615-A619 PolarHBondContact O-N 3.41Å; S616-A619 PolarHBondContact O-N 3.25Å; A619-E622 WeakPolarHBondContact CA-OE2 3.36Å; A619-E622 PolarHBondContact O-N 2.89Å; A619-S623 PolarHBondContact O-N 3.32Å; A619-S623 VanDerWaalsContact O-N 3.09Å
620Y93.3Very high83.8Confident89 Ų8947.6 Ų47.635%0.34928%0.275SS..Hα-helixtrans-61.8-47171.9176.4-101.5000111.6S576 S616 A617 L618 E622 S623 L624S576-Y620 VanDerWaalsContact OG-CD1 3.26Å; S576-Y620 WeakPolarHBondContact OG-CD1 3.25Å; S616-Y620 WeakPolarHBondContact O-CB 3.25Å; S616-Y620 PolarHBondContact O-N 3.26Å; A617-Y620 PolarHBondContact O-N 3.38Å; L618-Y620 VanDerWaalsContact C-N 3.32Å; L618-Y620 PolarHBondContact O-N 3.44Å; Y620-E622 VanDerWaalsContact C-N 3.34Å; Y620-E622 PolarHBondContact O-N 3.09Å; Y620-S623 PolarHBondContact O-N 3.14Å; Y620-S623 PolarHBondContact O-OG 3.39Å; Y620-L624 HydrophobicContact CE1-CD2 3.9Å; Y620-L624 HydrophobicContact CE1-CG 4.47Å; Y620-L624 PolarHBondContact O-N 2.71Å
621V92.6Very high81.2Confident0 Ų050.7 Ų50.70%030%0.3CS..Hα-helixtrans-64.4-35.2177.91740000112.2F480 N483 L580 A617 L618 S623 L624F480-V621 HydrophobicContact CD2-CB 3.99Å; F480-V621 HydrophobicContact CD2-CG1 3.56Å; F480-V621 HydrophobicContact CE2-CB 3.82Å; F480-V621 HydrophobicContact CE2-CG1 3.5Å; F480-V621 VanDerWaalsContact CE2-CG1 3.5Å; N483-V621 HydrophobicContact CB-CG1 4.25Å; N483-V621 WeakPolarHBondContact CB-O 3.32Å; N483-V621 PolarHBondContact ND2-O 2.93Å; L580-V621 HydrophobicContact CD2-CG1 3.65Å; L580-V621 HydrophobicContact CD2-CG2 4.37Å; L580-V621 HydrophobicContact CG-CG1 4.34Å; L580-V621 HydrophobicContact CG-CG2 4.19Å; A617-V621 WeakPolarHBondContact O-CG2 3.32Å; A617-V621 PolarHBondContact O-N 2.85Å; L618-V621 PolarHBondContact O-N 3.14Å; L618-V621 VanDerWaalsContact O-N 3.17Å; V621-S623 VanDerWaalsContact C-N 3.29Å; V621-S623 PolarHBondContact O-N 3.39Å; V621-L624 HydrophobicContact CB-CD1 4.49Å; V621-L624 HydrophobicContact CG1-CD1 4.35Å; V621-L624 HydrophobicContact CG2-CD1 4.48Å; V621-L624 PolarHBondContact O-N 3.32Å
622E92.1Very high78.6Confident32 Ų3258.4 Ų58.415%0.1534%0.342CS..Hα-helixtrans-60.9-37169.9-71178107.700112.4R476 F480 N483 L588 L618 A619 Y620 L624R476-E622 WeakPolarHBondContact CB-OE1 3.39Å; R476-E622 VanDerWaalsContact CG-OE1 3.26Å; R476-E622 WeakPolarHBondContact CG-OE1 3.47Å; R476-E622 IonicContact CZ-OE1 2.62Å; R476-E622 IonicContact CZ-OE2 3.16Å; R476-E622 IonicContact NE-OE1 2.75Å; R476-E622 PolarHBondContact NE-OE1 3.24Å; R476-E622 IonicContact NE-OE2 2.69Å; R476-E622 PolarHBondContact NE-OE2 3.05Å; R476-E622 IonicContact NH2-OE1 3.95Å; R476-E622 IonicContact NH2-OE2 3.28Å; R476-E622 PolarHBondContact NH2-OE2 3.43Å; F480-E622 HydrophobicContact CB-CG 4.23Å; N483-E622 PolarHBondContact ND2-O 3.1Å; L588-E622 HydrophobicContact CD1-CG 4.1Å; L618-E622 PolarHBondContact O-N 3.13Å; A619-E622 WeakPolarHBondContact CA-OE2 3.36Å; A619-E622 PolarHBondContact O-N 2.89Å; Y620-E622 VanDerWaalsContact C-N 3.34Å; Y620-E622 PolarHBondContact O-N 3.09Å; E622-L624 VanDerWaalsContact C-N 3.33Å; E622-L624 PolarHBondContact O-N 3.49Å
623S90.7Very high76.3Confident82 Ų8260.2 Ų60.257%0.57336%0.355SS*.Hα-helixtrans-79.1-9.1-177.278.60000115A619 Y620 V621A619-S623 PolarHBondContact O-N 3.32Å; A619-S623 VanDerWaalsContact O-N 3.09Å; Y620-S623 PolarHBondContact O-N 3.14Å; Y620-S623 PolarHBondContact O-OG 3.39Å; V621-S623 VanDerWaalsContact C-N 3.29Å; V621-S623 PolarHBondContact O-N 3.39Å
624L87.6Confident73.3Confident25 Ų2572.4 Ų72.413%0.13141%0.41CS..PPolyproline II helixtrans-59.7134.5-179.2-71.8173.1000110.9N483 Y487 L580 Y620 V621 E622N483-L624 PolarHBondContact ND2-O 3.47Å; N483-L624 VanDerWaalsContact ND2-O 3.11Å; Y487-L624 HydrophobicContact CD2-CD1 4.05Å; Y487-L624 HydrophobicContact CE2-CB 3.94Å; Y487-L624 HydrophobicContact CE2-CD1 4.11Å; Y487-L624 HydrophobicContact CG-CD1 4.44Å; L580-L624 HydrophobicContact CD1-CD1 4.41Å; Y620-L624 HydrophobicContact CE1-CD2 3.9Å; Y620-L624 HydrophobicContact CE1-CG 4.47Å; Y620-L624 PolarHBondContact O-N 2.71Å; V621-L624 HydrophobicContact CB-CD1 4.49Å; V621-L624 HydrophobicContact CG1-CD1 4.35Å; V621-L624 HydrophobicContact CG2-CD1 4.48Å; V621-L624 PolarHBondContact O-N 3.32Å; E622-L624 VanDerWaalsContact C-N 3.33Å; E622-L624 PolarHBondContact O-N 3.49Å
625P79.3Confident72.2Confident59 Ų5976 Ų7638%0.38343%0.43SS..PPolyproline II helixtrans-64.7154.4-177.227.5-34.9000111.2Y487 R627Y487-P625 PolarHBondContact OH-O 2.95Å; Y487-P625 VanDerWaalsContact OH-O 3.09Å; P625-R627 PolarHBondContact O-N 2.85Å
626A65.9Low70.9Confident24 Ų2477.8 Ų77.820%0.19844%0.443CS..PPolyproline II helixtrans-64.3128.6168.800000108.3A628 D629A626-A628 PolarHBondContact O-N 2.76Å; A626-D629 PolarHBondContact O-N 2.76Å
627R56.3Low69.5Low124 Ų12478.8 Ų78.847%0.46845%0.445SS..G310 helixtrans-57-8-176.2-165.1173.5177.21574.8115.2L486 P625 D629L486-R627 PolarHBondContact O-NH1 3.04Å; P625-R627 PolarHBondContact O-N 2.85Å; R627-D629 VanDerWaalsContact C-N 3.33Å
628A48.9Very low68Low76 Ų7683.5 Ų83.563%0.62847%0.471SS*.G310 helixtrans-64.4-32.9167.700000113.1A626 L630 A631A626-A628 PolarHBondContact O-N 2.76Å; A628-L630 PolarHBondContact O-N 2.64Å; A628-A631 WeakPolarHBondContact O-CB 3.32Å; A628-A631 PolarHBondContact O-N 3.21Å
629D46.8Very low66.3Low125 Ų12588.4 Ų88.467%0.66850%0.499SS*.G310 helixtrans-80-2-177.7-53.9-36.8000113A626 R627A626-D629 PolarHBondContact O-N 2.76Å; R627-D629 VanDerWaalsContact C-N 3.33Å
630L48.7Very low64.4Low114 Ų11491.4 Ų91.460%0.59751%0.508SS*.G310 helixtrans-106.59174.9-70.2167.7000112.3A628A628-L630 PolarHBondContact O-N 2.64Å
631A41.6Very low62.4Low69 Ų6991.6 Ų91.657%0.5752%0.519SS*.SBendtrans-99.3-1.2-173.800000115A628A628-A631 WeakPolarHBondContact O-CB 3.32Å; A628-A631 PolarHBondContact O-N 3.21Å
632D41.7Very low60.1Low165 Ų16598.6 Ų98.688%0.88256%0.559SS**  trans-115.997.3170.1-82.7-31.5000111.6
633P47.1Very low57.4Low116 Ų116104.2 Ų104.275%0.75359%0.593SS**  trans-119.483.3155.136.2-24.1000111
634E34.2Very low54.4Low271 Ų271106.2 Ų106.2100%1.26660%0.595SS**  trans-134.10155.4-74.1-155.5151.500110.9

Retrieved 634 of 634 residues in 636.4 ms (Link to these results)

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