A0A087X870_POEFO Loading...

Katanin p60 ATPase-containing subunit A-like 2

Severs microtubules in vitro in an ATP-dependent manner. This activity may promote rapid reorganization of cellular microtubule arrays.

AlphaFold DB , UniProt , Accession A0A087X870, Species POEFO (Poecilia formosa, Amazon molly), Gene KATNAL2, Length 534 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
1M51.4Low63.2Low218 Ų218118.5 Ų118.5100%1.07460%0.603SS**  0-44.60-87.4-178.1-89.900112.4L3 S4 Y5M1-L3 PolarHBondContact O-N 2.89Å; M1-S4 WeakPolarHBondContact O-CB 3.46Å; M1-S4 PolarHBondContact O-N 2.91Å; M1-Y5 PolarHBondContact O-N 2.89Å
2E45.2Very low64.3Low156 Ų156117.6 Ų117.673%0.72960%0.595SS**Hα-helixtrans-54.8-39.5-170.8-64.2162.4127.900115.3S4 Y5 Q6E2-S4 PolarHBondContact O-N 3.07Å; E2-Y5 CarbonylContact O-C 3.41Å; E2-Y5 WeakPolarHBondContact O-CA 3.33Å; E2-Y5 WeakPolarHBondContact O-CB 3.47Å; E2-Y5 PolarHBondContact O-N 3.13Å; E2-Q6 WeakPolarHBondContact O-CG 3.45Å; E2-Q6 PolarHBondContact O-N 3.16Å
3L49.2Very low65.8Low135 Ų135116.2 Ų116.271%0.70759%0.585SS**Hα-helixtrans-54-38.1175.1-71.6167.2000112.9M1 S7M1-L3 PolarHBondContact O-N 2.89Å; L3-S7 WeakPolarHBondContact O-CB 3.41Å; L3-S7 PolarHBondContact O-N 2.99Å; L3-S7 PolarHBondContact O-OG 3.13Å
4S58.6Low66.6Low71 Ų71111.4 Ų111.450%0.49757%0.572SS.*Hα-helixtrans-68.9-41.2175.9-176.60000111.5M1 E2 S7 M8M1-S4 WeakPolarHBondContact O-CB 3.46Å; M1-S4 PolarHBondContact O-N 2.91Å; E2-S4 PolarHBondContact O-N 3.07Å; S4-S7 PolarHBondContact O-N 3.04Å; S4-M8 WeakPolarHBondContact O-CB 3.17Å; S4-M8 WeakPolarHBondContact O-CG 3.44Å; S4-M8 PolarHBondContact O-N 3.04Å
5Y69.4Low67.2Low162 Ų162113.9 Ų113.964%0.63557%0.571SS**Hα-helixtrans-64-41.3175.6-178.7-99.9000112.1M1 E2 M8 K9M1-Y5 PolarHBondContact O-N 2.89Å; E2-Y5 CarbonylContact O-C 3.41Å; E2-Y5 WeakPolarHBondContact O-CA 3.33Å; E2-Y5 WeakPolarHBondContact O-CB 3.47Å; E2-Y5 PolarHBondContact O-N 3.13Å; Y5-M8 PolarHBondContact O-N 2.97Å; Y5-K9 WeakPolarHBondContact O-CB 3.34Å; Y5-K9 PolarHBondContact O-N 2.89Å
6Q60Low68.1Low108 Ų108111.9 Ų111.951%0.50556%0.559SS.*Hα-helixtrans-62-46.6173.1-71.1172.4-19.400111.5E2 M8 K9 I10E2-Q6 WeakPolarHBondContact O-CG 3.45Å; E2-Q6 PolarHBondContact O-N 3.16Å; Q6-M8 PolarHBondContact O-N 3.32Å; Q6-K9 PolarHBondContact O-N 3.02Å; Q6-I10 VanDerWaalsContact O-CG1 3.3Å; Q6-I10 WeakPolarHBondContact O-CG1 3.34Å; Q6-I10 PolarHBondContact O-N 3.47Å
7S65.8Low69Low77 Ų77107.6 Ų107.654%0.53855%0.546SS..Hα-helixtrans-61.1-42.3175.6-60.20000112.7L3 S4 A11L3-S7 WeakPolarHBondContact O-CB 3.41Å; L3-S7 PolarHBondContact O-N 2.99Å; L3-S7 PolarHBondContact O-OG 3.13Å; S4-S7 PolarHBondContact O-N 3.04Å; S7-A11 VanDerWaalsContact O-CB 3.29Å; S7-A11 WeakPolarHBondContact O-CB 3.49Å; S7-A11 PolarHBondContact O-N 3.3Å
8M65.3Low69.5Low114 Ų114105.7 Ų105.756%0.56254%0.537SS*.Hα-helixtrans-65-39.9175.2-73.9-173.2-69.200112.1S4 Y5 Q6 A11 H12S4-M8 WeakPolarHBondContact O-CB 3.17Å; S4-M8 WeakPolarHBondContact O-CG 3.44Å; S4-M8 PolarHBondContact O-N 3.04Å; Y5-M8 PolarHBondContact O-N 2.97Å; Q6-M8 PolarHBondContact O-N 3.32Å; M8-A11 PolarHBondContact O-N 3.26Å; M8-H12 WeakPolarHBondContact O-CB 3.22Å; M8-H12 PolarHBondContact O-N 3.44Å
9K77.3Confident70.1Confident109 Ų109106.6 Ų106.647%0.47454%0.537SS..Hα-helixtrans-62.2-50.1175.5179.8-179.9168.4-177.30111.2Y5 Q6 A11 H12 E13Y5-K9 WeakPolarHBondContact O-CB 3.34Å; Y5-K9 PolarHBondContact O-N 2.89Å; Q6-K9 PolarHBondContact O-N 3.02Å; K9-A11 VanDerWaalsContact C-N 3.33Å; K9-A11 PolarHBondContact O-N 2.97Å; K9-H12 WeakPolarHBondContact O-CB 3.41Å; K9-H12 PolarHBondContact O-N 3.46Å; K9-E13 VanDerWaalsContact CE-CD 3.41Å; K9-E13 WeakPolarHBondContact CE-OE1 3.28Å; K9-E13 HydrophobicContact CG-CG 4.42Å; K9-E13 IonicContact NZ-OE1 2.68Å; K9-E13 WeakPolarHBondContact O-CG 3.42Å; K9-E13 PolarHBondContact O-N 2.6Å
10I80.1Confident70.8Confident111 Ų111106.5 Ų106.557%0.56954%0.537SS*.Hα-helixtrans-60.2-42.7177.6-66.5163.2000110.8Q6 H12 E13 A14Q6-I10 VanDerWaalsContact O-CG1 3.3Å; Q6-I10 WeakPolarHBondContact O-CG1 3.34Å; Q6-I10 PolarHBondContact O-N 3.47Å; I10-H12 VanDerWaalsContact C-N 3.26Å; I10-H12 PolarHBondContact O-N 3.03Å; I10-E13 PolarHBondContact O-N 2.98Å; I10-A14 WeakPolarHBondContact O-CB 3.07Å; I10-A14 PolarHBondContact O-N 3.4Å
11A73Confident71.2Confident42 Ų42108 Ų10835%0.34754%0.537SS..Hα-helixtrans-70.2-17.5176.800000114.2S7 M8 K9 R15S7-A11 VanDerWaalsContact O-CB 3.29Å; S7-A11 WeakPolarHBondContact O-CB 3.49Å; S7-A11 PolarHBondContact O-N 3.3Å; M8-A11 PolarHBondContact O-N 3.26Å; K9-A11 VanDerWaalsContact C-N 3.33Å; K9-A11 PolarHBondContact O-N 2.97Å; A11-R15 PolarHBondContact O-NE 3.11Å
12H76.6Confident72.5Confident108 Ų108100.3 Ų100.350%0.550%0.502SS..Hα-helixtrans-84.4-46.8169.7-178.5-69.6000110.6M8 K9 I10 A14 R15 E16M8-H12 WeakPolarHBondContact O-CB 3.22Å; M8-H12 PolarHBondContact O-N 3.44Å; K9-H12 WeakPolarHBondContact O-CB 3.41Å; K9-H12 PolarHBondContact O-N 3.46Å; I10-H12 VanDerWaalsContact C-N 3.26Å; I10-H12 PolarHBondContact O-N 3.03Å; H12-A14 VanDerWaalsContact C-N 3.31Å; H12-A14 PolarHBondContact O-N 3.02Å; H12-R15 PolarHBondContact O-N 3.43Å; H12-E16 VanDerWaalsContact CE1-CG 3.42Å; H12-E16 WeakPolarHBondContact CE1-CG 3.39Å; H12-E16 PolarHBondContact O-N 3.1Å
13E83.3Confident74.3Confident100 Ų10096.7 Ų96.747%0.46749%0.485SS..Hα-helixtrans-60.6-38.6177.8-72172.4155.200111.8K9 I10 E16 A17K9-E13 VanDerWaalsContact CE-CD 3.41Å; K9-E13 WeakPolarHBondContact CE-OE1 3.28Å; K9-E13 HydrophobicContact CG-CG 4.42Å; K9-E13 IonicContact NZ-OE1 2.68Å; K9-E13 WeakPolarHBondContact O-CG 3.42Å; K9-E13 PolarHBondContact O-N 2.6Å; I10-E13 PolarHBondContact O-N 2.98Å; E13-E16 PolarHBondContact O-N 3.16Å; E13-A17 WeakPolarHBondContact O-CB 3.19Å; E13-A17 PolarHBondContact O-N 3.16Å
14A77.8Confident75.9Confident49 Ų4995.5 Ų95.541%0.40548%0.477SS..Hα-helixtrans-61-44.3170.700000112.7I10 H12 A17 D18I10-A14 WeakPolarHBondContact O-CB 3.07Å; I10-A14 PolarHBondContact O-N 3.4Å; H12-A14 VanDerWaalsContact C-N 3.31Å; H12-A14 PolarHBondContact O-N 3.02Å; A14-A17 PolarHBondContact O-N 3.43Å; A14-D18 PolarHBondContact O-N 2.85Å
15R75.1Confident77.2Confident149 Ų14999.1 Ų99.156%0.56248%0.48SS*.Hα-helixtrans-66.7-40.9178-83.7-176.8-88.5-172.7-9112.6A11 H12 A17 D18 K19A11-R15 PolarHBondContact O-NE 3.11Å; H12-R15 PolarHBondContact O-N 3.43Å; R15-A17 VanDerWaalsContact C-N 3.35Å; R15-D18 PolarHBondContact O-N 3.11Å; R15-K19 WeakPolarHBondContact O-CG 3.37Å; R15-K19 PolarHBondContact O-N 3.05Å
16E81.9Confident77.9Confident81 Ų8196.6 Ų96.638%0.37947%0.472SS..Hα-helixtrans-66.4-37.4174.3-65.5-56.5110.800111.6H12 E13 K19 L20H12-E16 VanDerWaalsContact CE1-CG 3.42Å; H12-E16 WeakPolarHBondContact CE1-CG 3.39Å; H12-E16 PolarHBondContact O-N 3.1Å; E13-E16 PolarHBondContact O-N 3.16Å; E16-K19 PolarHBondContact O-N 3.3Å; E16-K19 WeakPolarHBondContact OE1-CD 3.34Å; E16-K19 WeakPolarHBondContact OE1-CE 3.44Å; E16-K19 IonicContact OE1-NZ 2.86Å; E16-K19 PolarHBondContact OE1-NZ 3.32Å; E16-L20 VanDerWaalsContact O-CB 3.27Å; E16-L20 WeakPolarHBondContact O-CB 3.31Å; E16-L20 PolarHBondContact O-N 2.63Å
17A83.4Confident79.2Confident40 Ų4097.4 Ų97.433%0.33147%0.474SS..Hα-helixtrans-63.4-40.8172.800000112.3E13 A14 R15 L20 R21E13-A17 WeakPolarHBondContact O-CB 3.19Å; E13-A17 PolarHBondContact O-N 3.16Å; A14-A17 PolarHBondContact O-N 3.43Å; R15-A17 VanDerWaalsContact C-N 3.35Å; A17-L20 PolarHBondContact O-N 3.07Å; A17-R21 WeakPolarHBondContact O-CB 3.48Å; A17-R21 WeakPolarHBondContact O-CD 3.37Å; A17-R21 WeakPolarHBondContact O-CG 3.42Å; A17-R21 PolarHBondContact O-N 3.15Å
18D77.8Confident80.2Confident72 Ų7297 Ų9739%0.38547%0.471SS..Hα-helixtrans-74.7-32.1177.7-78-32.3000113.7A14 R15 R21 T22A14-D18 PolarHBondContact O-N 2.85Å; R15-D18 PolarHBondContact O-N 3.11Å; D18-R21 WeakPolarHBondContact OD1-CD 3.29Å; D18-R21 IonicContact OD1-CZ 3.77Å; D18-R21 IonicContact OD1-NE 3.81Å; D18-R21 IonicContact OD1-NH1 3.02Å; D18-R21 PolarHBondContact OD1-NH1 3.36Å; D18-T22 WeakPolarHBondContact O-CB 3.41Å; D18-T22 PolarHBondContact O-N 2.82Å; D18-T22 PolarHBondContact O-OG1 2.94Å
19K80.3Confident81.3Confident123 Ų12396.1 Ų96.154%0.53547%0.468SS..Hα-helixtrans-60.2-50.1164.8-73.3174-173.6171.90110.8R15 E16 R21 T22 E23R15-K19 WeakPolarHBondContact O-CG 3.37Å; R15-K19 PolarHBondContact O-N 3.05Å; E16-K19 PolarHBondContact O-N 3.3Å; E16-K19 WeakPolarHBondContact OE1-CD 3.34Å; E16-K19 WeakPolarHBondContact OE1-CE 3.44Å; E16-K19 IonicContact OE1-NZ 2.86Å; E16-K19 PolarHBondContact OE1-NZ 3.32Å; K19-R21 PolarHBondContact O-N 3.49Å; K19-T22 CarbonylContact O-C 3.6Å; K19-T22 WeakPolarHBondContact O-CA 3.48Å; K19-T22 WeakPolarHBondContact O-CB 3.47Å; K19-T22 PolarHBondContact O-N 3.32Å; K19-E23 PolarHBondContact O-N 3.49Å
20L85.1Confident81.9Confident104 Ų10493.7 Ų93.755%0.54546%0.46SS..Hα-helixtrans-61.3-43-179.8-17468.6000111.6E16 A17 T22 E23 M24E16-L20 VanDerWaalsContact O-CB 3.27Å; E16-L20 WeakPolarHBondContact O-CB 3.31Å; E16-L20 PolarHBondContact O-N 2.63Å; A17-L20 PolarHBondContact O-N 3.07Å; L20-T22 VanDerWaalsContact C-N 3.31Å; L20-T22 PolarHBondContact O-N 3.45Å; L20-E23 PolarHBondContact O-N 2.79Å; L20-M24 HydrophobicContact CD1-CE 4.44Å; L20-M24 HydrophobicContact CD2-CE 4.1Å; L20-M24 HydrophobicContact CG-CE 3.99Å; L20-M24 WeakPolarHBondContact O-CB 3.48Å; L20-M24 VanDerWaalsContact O-CG 3.32Å; L20-M24 WeakPolarHBondContact O-CG 3.34Å; L20-M24 PolarHBondContact O-N 3.05Å
21R79.4Confident82.3Confident140 Ų14089.1 Ų89.153%0.52844%0.437SS..Hα-helixtrans-57.9-41.4171.2-75.4159.8168176.7-1.3111.8A17 D18 K19 M24 R25A17-R21 WeakPolarHBondContact O-CB 3.48Å; A17-R21 WeakPolarHBondContact O-CD 3.37Å; A17-R21 WeakPolarHBondContact O-CG 3.42Å; A17-R21 PolarHBondContact O-N 3.15Å; D18-R21 WeakPolarHBondContact OD1-CD 3.29Å; D18-R21 IonicContact OD1-CZ 3.77Å; D18-R21 IonicContact OD1-NE 3.81Å; D18-R21 IonicContact OD1-NH1 3.02Å; D18-R21 PolarHBondContact OD1-NH1 3.36Å; K19-R21 PolarHBondContact O-N 3.49Å; R21-M24 PolarHBondContact O-N 2.79Å; R21-R25 WeakPolarHBondContact O-CG 3.44Å; R21-R25 PolarHBondContact O-N 3.21Å
22T77.3Confident83Confident56 Ų5688.5 Ų88.534%0.34443%0.428SS..Hα-helixtrans-69.6-40.5179.5-57.30000111.6D18 K19 L20 R25 K26D18-T22 WeakPolarHBondContact O-CB 3.41Å; D18-T22 PolarHBondContact O-N 2.82Å; D18-T22 PolarHBondContact O-OG1 2.94Å; K19-T22 CarbonylContact O-C 3.6Å; K19-T22 WeakPolarHBondContact O-CA 3.48Å; K19-T22 WeakPolarHBondContact O-CB 3.47Å; K19-T22 PolarHBondContact O-N 3.32Å; L20-T22 VanDerWaalsContact C-N 3.31Å; L20-T22 PolarHBondContact O-N 3.45Å; T22-R25 PolarHBondContact O-N 3.41Å; T22-K26 WeakPolarHBondContact O-CG 3.41Å; T22-K26 PolarHBondContact O-N 3.09Å
23E83.7Confident83.7Confident80 Ų8086.3 Ų86.337%0.37442%0.419SS..Hα-helixtrans-64.8-38.7171.7-74.1-56.3123.600112.7K19 L20 K26 K27K19-E23 PolarHBondContact O-N 3.49Å; L20-E23 PolarHBondContact O-N 2.79Å; E23-K26 PolarHBondContact O-N 3.11Å; E23-K26 WeakPolarHBondContact OE1-CD 3.49Å; E23-K26 WeakPolarHBondContact OE1-CE 3.41Å; E23-K26 IonicContact OE1-NZ 3.42Å; E23-K26 PolarHBondContact OE1-NZ 2.88Å; E23-K27 WeakPolarHBondContact O-CG 3.29Å; E23-K27 PolarHBondContact O-N 3.4Å; E23-K27 VanDerWaalsContact O-N 3.09Å
24M83.4Confident84Confident110 Ų11082.8 Ų82.854%0.54240%0.401SS..Hα-helixtrans-60.6-48.5170.8-74.1177.6-179.700110.9L20 R21 K26 K27 S28L20-M24 HydrophobicContact CD1-CE 4.44Å; L20-M24 HydrophobicContact CD2-CE 4.1Å; L20-M24 HydrophobicContact CG-CE 3.99Å; L20-M24 WeakPolarHBondContact O-CB 3.48Å; L20-M24 VanDerWaalsContact O-CG 3.32Å; L20-M24 WeakPolarHBondContact O-CG 3.34Å; L20-M24 PolarHBondContact O-N 3.05Å; R21-M24 PolarHBondContact O-N 2.79Å; M24-K26 PolarHBondContact O-N 2.93Å; M24-K27 PolarHBondContact O-N 3.48Å; M24-K27 VanDerWaalsContact O-N 3.12Å; M24-S28 PolarHBondContact O-N 3.02Å; M24-S28 PolarHBondContact O-OG 3.02Å; M24-S28 VanDerWaalsContact O-OG 3.1Å
25R84.8Confident84.4Confident147 Ų14784.6 Ų84.656%0.55540%0.402SS*.Hα-helixtrans-56.9-45.5176.4-70.6174.1-157.7146.43.9112.3R21 T22 K27 S28 I29R21-R25 WeakPolarHBondContact O-CG 3.44Å; R21-R25 PolarHBondContact O-N 3.21Å; T22-R25 PolarHBondContact O-N 3.41Å; R25-K27 VanDerWaalsContact C-N 3.31Å; R25-K27 PolarHBondContact O-N 3.13Å; R25-S28 PolarHBondContact O-N 3.4Å; R25-I29 VanDerWaalsContact O-CG1 3.3Å; R25-I29 WeakPolarHBondContact O-CG1 3.1Å; R25-I29 PolarHBondContact O-N 2.91Å
26K84.5Confident85.1Confident108 Ų10880.1 Ų80.147%0.4739%0.387SS..Hα-helixtrans-56.1-46.2175.6-71.7175.1-172.3172.90111.2T22 E23 M24 I29 L30T22-K26 WeakPolarHBondContact O-CG 3.41Å; T22-K26 PolarHBondContact O-N 3.09Å; E23-K26 PolarHBondContact O-N 3.11Å; E23-K26 WeakPolarHBondContact OE1-CD 3.49Å; E23-K26 WeakPolarHBondContact OE1-CE 3.41Å; E23-K26 IonicContact OE1-NZ 3.42Å; E23-K26 PolarHBondContact OE1-NZ 2.88Å; M24-K26 PolarHBondContact O-N 2.93Å; K26-I29 PolarHBondContact O-N 3.31Å; K26-L30 WeakPolarHBondContact O-CG 3.41Å; K26-L30 PolarHBondContact O-N 3.05Å; K26-L30 VanDerWaalsContact O-N 3.14Å
27K86.6Confident85.5Confident125 Ų12578.1 Ų78.154%0.54338%0.379SS..Hα-helixtrans-64.7-45.1177.4-70.1170.6-176.6177.10112E23 M24 R25 I29 L30 V31E23-K27 WeakPolarHBondContact O-CG 3.29Å; E23-K27 PolarHBondContact O-N 3.4Å; E23-K27 VanDerWaalsContact O-N 3.09Å; M24-K27 PolarHBondContact O-N 3.48Å; M24-K27 VanDerWaalsContact O-N 3.12Å; R25-K27 VanDerWaalsContact C-N 3.31Å; R25-K27 PolarHBondContact O-N 3.13Å; K27-I29 VanDerWaalsContact C-N 3.31Å; K27-I29 PolarHBondContact O-N 3.21Å; K27-L30 PolarHBondContact O-N 3.29Å; K27-L30 VanDerWaalsContact O-N 3.14Å; K27-V31 WeakPolarHBondContact O-CG2 3.45Å; K27-V31 PolarHBondContact O-N 3.37Å
28S87.3Confident85.7Confident69 Ų6979.5 Ų79.548%0.48338%0.38SS..Hα-helixtrans-57.5-41.9175.5-57.90000112.4M24 R25 V31 L32M24-S28 PolarHBondContact O-N 3.02Å; M24-S28 PolarHBondContact O-OG 3.02Å; M24-S28 VanDerWaalsContact O-OG 3.1Å; R25-S28 PolarHBondContact O-N 3.4Å; S28-V31 PolarHBondContact O-N 3.28Å; S28-L32 WeakPolarHBondContact O-CG 3.39Å; S28-L32 PolarHBondContact O-N 2.72Å
29I88.9Confident86.1Confident96 Ų9679.4 Ų79.449%0.49240%0.396SS..Hα-helixtrans-63-42.7176.2-68.2162.5000111.2R25 K26 K27 L32 I33R25-I29 VanDerWaalsContact O-CG1 3.3Å; R25-I29 WeakPolarHBondContact O-CG1 3.1Å; R25-I29 PolarHBondContact O-N 2.91Å; K26-I29 PolarHBondContact O-N 3.31Å; K27-I29 VanDerWaalsContact C-N 3.31Å; K27-I29 PolarHBondContact O-N 3.21Å; I29-L32 PolarHBondContact O-N 3.22Å; I29-I33 HydrophobicContact CG2-CD1 3.77Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.42Å; I29-I33 PolarHBondContact O-N 3.32Å
30L88.8Confident86.5Confident58 Ų5878.8 Ų78.830%0.30440%0.395SS..Hα-helixtrans-65.1-38.6177.3-68.8167.7000112.5K26 K27 I33 Y34 L49 T53 V57K26-L30 WeakPolarHBondContact O-CG 3.41Å; K26-L30 PolarHBondContact O-N 3.05Å; K26-L30 VanDerWaalsContact O-N 3.14Å; K27-L30 PolarHBondContact O-N 3.29Å; K27-L30 VanDerWaalsContact O-N 3.14Å; L30-I33 PolarHBondContact O-N 3.46Å; L30-Y34 WeakPolarHBondContact O-CB 3.33Å; L30-Y34 PolarHBondContact O-N 3.14Å; L30-L49 HydrophobicContact CD2-CD1 4.24Å; L30-T53 HydrophobicContact CD1-CG2 4.2Å; L30-V57 HydrophobicContact CB-CG2 4.1Å
31V88.8Confident86.6Confident14 Ų1476.7 Ų76.79%0.08540%0.399CS..Hα-helixtrans-67.1-43.2175.9178.30000111.3K27 S28 I33 Y34 Q35 V57 F60 V62K27-V31 WeakPolarHBondContact O-CG2 3.45Å; K27-V31 PolarHBondContact O-N 3.37Å; S28-V31 PolarHBondContact O-N 3.28Å; V31-I33 PolarHBondContact O-N 2.95Å; V31-Y34 PolarHBondContact O-N 3.23Å; V31-Q35 PolarHBondContact O-N 3.02Å; V31-V57 HydrophobicContact CB-CG1 4.47Å; V31-V57 HydrophobicContact CG2-CG1 4.03Å; V31-F60 HydrophobicContact CG1-CB 4.17Å; V31-F60 HydrophobicContact CG2-CB 3.81Å; V31-F60 HydrophobicContact CG2-CD2 4.48Å; V31-F60 HydrophobicContact CG2-CG 4.48Å; V31-V62 HydrophobicContact CG1-CG2 3.85Å
32L89Confident87.2Confident29 Ų2976.9 Ų76.915%0.15240%0.4CS..Hα-helixtrans-59.6-45.3174-75.1165.5000112.1S28 I29 Q35 H36 V62 V66S28-L32 WeakPolarHBondContact O-CG 3.39Å; S28-L32 PolarHBondContact O-N 2.72Å; I29-L32 PolarHBondContact O-N 3.22Å; L32-Q35 PolarHBondContact O-N 3.05Å; L32-H36 WeakPolarHBondContact O-CB 3.46Å; L32-H36 PolarHBondContact O-N 3.42Å; L32-V62 HydrophobicContact CD2-CG1 3.64Å; L32-V62 HydrophobicContact CD2-CG2 4.1Å; L32-V66 HydrophobicContact CD2-CG1 4.05Å
33I90.3Very high87.7Confident62 Ų6276.6 Ų76.632%0.31840%0.404SS..Hα-helixtrans-64.3-43177.1-69.6165.6000111.1I29 L30 V31 H36 L37 L49 L68I29-I33 HydrophobicContact CG2-CD1 3.77Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.42Å; I29-I33 PolarHBondContact O-N 3.32Å; L30-I33 PolarHBondContact O-N 3.46Å; V31-I33 PolarHBondContact O-N 2.95Å; I33-H36 PolarHBondContact O-N 3.22Å; I33-L37 HydrophobicContact CG2-CD1 3.89Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CB 3.24Å; I33-L37 VanDerWaalsContact O-CG 3.24Å; I33-L37 WeakPolarHBondContact O-CG 3.3Å; I33-L37 PolarHBondContact O-N 2.98Å; I33-L49 HydrophobicContact CG2-CD2 4.02Å; I33-L68 HydrophobicContact CG1-CD2 4.29Å
34Y89.3Confident87.9Confident26 Ų2678 Ų7810%0.10242%0.422CS..Hα-helixtrans-61.1-46.7177.5175.7-95.4000112.2L30 V31 L37 L38 A46 D50 V57L30-Y34 WeakPolarHBondContact O-CB 3.33Å; L30-Y34 PolarHBondContact O-N 3.14Å; V31-Y34 PolarHBondContact O-N 3.23Å; Y34-L37 PolarHBondContact O-N 3.28Å; Y34-L38 HydrophobicContact CD1-CD1 4.01Å; Y34-L38 HydrophobicContact CE1-CD1 3.46Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.46Å; Y34-L38 HydrophobicContact CE1-CG 4.36Å; Y34-L38 WeakPolarHBondContact O-CG 3.45Å; Y34-L38 PolarHBondContact O-N 2.74Å; Y34-A46 HydrophobicContact CD2-CB 3.9Å; Y34-A46 WeakPolarHBondContact CD2-O 3.45Å; Y34-A46 HydrophobicContact CE2-CB 3.91Å; Y34-A46 VanDerWaalsContact CE2-O 3.3Å; Y34-A46 WeakPolarHBondContact CE2-O 3.48Å; Y34-D50 HydrophobicContact CE2-CB 3.96Å; Y34-V57 VanDerWaalsContact CB-CG1 3.44Å; Y34-V57 HydrophobicContact CD1-CG1 3.91Å; Y34-V57 HydrophobicContact CD2-CG1 4Å; Y34-V57 HydrophobicContact CG-CG1 3.53Å
35Q87.3Confident88.2Confident87 Ų8775 Ų7541%0.40742%0.415SS..Hα-helixtrans-65.3-41.8178.5-170.268.4-9.900111.7V31 L32 L37 L38 G39 V62V31-Q35 PolarHBondContact O-N 3.02Å; L32-Q35 PolarHBondContact O-N 3.05Å; Q35-L37 PolarHBondContact O-N 3.25Å; Q35-L38 PolarHBondContact O-N 3.08Å; Q35-G39 PolarHBondContact O-N 2.83Å; Q35-V62 HydrophobicContact CB-CG2 3.85Å; Q35-V62 HydrophobicContact CG-CG2 4.1Å
36H89.6Confident88.4Confident56 Ų5668 Ų6826%0.25939%0.389SS..Hα-helixtrans-63.7-40.4175.1-173.188.6000112.1L32 I33 L38 G39 Q40 D67 L68L32-H36 WeakPolarHBondContact O-CB 3.46Å; L32-H36 PolarHBondContact O-N 3.42Å; I33-H36 PolarHBondContact O-N 3.22Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 3.26Å; H36-G39 PolarHBondContact O-N 3.24Å; H36-Q40 WeakPolarHBondContact O-CB 3.34Å; H36-Q40 WeakPolarHBondContact O-CG 3.47Å; H36-Q40 PolarHBondContact O-N 3.25Å; H36-D67 IonicContact ND1-OD1 3.2Å; H36-L68 HydrophobicContact CB-CB 4.45Å; H36-L68 HydrophobicContact CB-CD2 4.11Å
37L89.8Confident88.5Confident38 Ų3866.4 Ų66.420%0.19939%0.388CS..Hα-helixtrans-63.1-37.3173.8-74.6170.8000112.2I33 Y34 Q35 G41 Y42 A45 A46 L49I33-L37 HydrophobicContact CG2-CD1 3.89Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CB 3.24Å; I33-L37 VanDerWaalsContact O-CG 3.24Å; I33-L37 WeakPolarHBondContact O-CG 3.3Å; I33-L37 PolarHBondContact O-N 2.98Å; Y34-L37 PolarHBondContact O-N 3.28Å; Q35-L37 PolarHBondContact O-N 3.25Å; L37-G41 PolarHBondContact O-N 2.7Å; L37-Y42 HydrophobicContact CD2-CD2 4.03Å; L37-Y42 HydrophobicContact CD2-CG 4.2Å; L37-Y42 WeakPolarHBondContact O-CA 3.35Å; L37-Y42 WeakPolarHBondContact O-CB 3.27Å; L37-Y42 PolarHBondContact O-N 2.71Å; L37-A45 HydrophobicContact CD1-CB 4.42Å; L37-A45 HydrophobicContact CD2-CB 4.42Å; L37-A46 HydrophobicContact CB-CB 4.07Å; L37-L49 HydrophobicContact CD1-CD2 4.18Å
38L87.6Confident88.7Confident69 Ų6962.3 Ų62.336%0.36138%0.378SS..Hα-helixtrans-68.3-47.3173.9-72.2179.2000112Y34 Q35 H36 Q40 G41 A46Y34-L38 HydrophobicContact CD1-CD1 4.01Å; Y34-L38 HydrophobicContact CE1-CD1 3.46Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.46Å; Y34-L38 HydrophobicContact CE1-CG 4.36Å; Y34-L38 WeakPolarHBondContact O-CG 3.45Å; Y34-L38 PolarHBondContact O-N 2.74Å; Q35-L38 PolarHBondContact O-N 3.08Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 3.26Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Q40 PolarHBondContact O-N 3.22Å; L38-G41 PolarHBondContact O-N 2.72Å; L38-A46 HydrophobicContact CD2-CB 3.7Å; L38-A46 HydrophobicContact CG-CB 3.97Å
39G85.5Confident88.7Confident70 Ų7060.5 Ų60.572%0.72236%0.362SS*.Hα-helixtrans-60.6-37.4179.300000113.3Q35 H36 G41Q35-G39 PolarHBondContact O-N 2.83Å; H36-G39 PolarHBondContact O-N 3.24Å; G39-G41 VanDerWaalsContact C-N 3.26Å; G39-G41 PolarHBondContact O-N 3.06Å
40Q88.7Confident88.6Confident110 Ų11057.1 Ų57.151%0.51435%0.346SS..THydrogen-bonded Turntrans-83.97.3175-61.2-66.7-24.300113.5H36 L38 Y42H36-Q40 WeakPolarHBondContact O-CB 3.34Å; H36-Q40 WeakPolarHBondContact O-CG 3.47Å; H36-Q40 PolarHBondContact O-N 3.25Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Q40 PolarHBondContact O-N 3.22Å; Q40-Y42 HydrophobicContact CB-CD2 3.64Å; Q40-Y42 HydrophobicContact CB-CE2 3.62Å; Q40-Y42 PolarHBondContact O-N 3.37Å
41G87.4Confident88.5Confident60 Ų6061.1 Ų61.162%0.61936%0.362SS*.THydrogen-bonded Turntrans79.15.6173.400000116.3L37 L38 G39 A43L37-G41 PolarHBondContact O-N 2.7Å; L38-G41 PolarHBondContact O-N 2.72Å; G39-G41 VanDerWaalsContact C-N 3.26Å; G39-G41 PolarHBondContact O-N 3.06Å; G41-A43 PolarHBondContact O-N 2.85Å
42Y92.3Very high88.3Confident144 Ų14468 Ų6857%0.56539%0.394SS*.  trans-77.845.8179-60.4-70.7000113.2L37 Q40 S44 A45 A46L37-Y42 HydrophobicContact CD2-CD2 4.03Å; L37-Y42 HydrophobicContact CD2-CG 4.2Å; L37-Y42 WeakPolarHBondContact O-CA 3.35Å; L37-Y42 WeakPolarHBondContact O-CB 3.27Å; L37-Y42 PolarHBondContact O-N 2.71Å; Q40-Y42 HydrophobicContact CB-CD2 3.64Å; Q40-Y42 HydrophobicContact CB-CE2 3.62Å; Q40-Y42 PolarHBondContact O-N 3.37Å; Y42-S44 PolarHBondContact O-N 2.74Å; Y42-S44 VanDerWaalsContact O-N 3.08Å; Y42-A45 WeakPolarHBondContact O-CB 3.18Å; Y42-A45 PolarHBondContact O-N 2.89Å; Y42-A46 PolarHBondContact O-N 3.16Å
43A87.9Confident88Confident51 Ų5168.4 Ų68.442%0.42140%0.398SS..Hα-helixtrans-55.2-32.7-172.100000114.5G41 T47G41-A43 PolarHBondContact O-N 2.85Å; A43-T47 WeakPolarHBondContact O-CB 3.38Å; A43-T47 PolarHBondContact O-N 3.43Å; A43-T47 PolarHBondContact O-OG1 3.08Å
44S88.8Confident87.5Confident108 Ų10872.7 Ų72.776%0.75542%0.421SS*.Hα-helixtrans-67-38.3175.8-169.70000112.5Y42 A48Y42-S44 PolarHBondContact O-N 2.74Å; Y42-S44 VanDerWaalsContact O-N 3.08Å; S44-A48 PolarHBondContact O-N 3.4Å; S44-A48 VanDerWaalsContact O-N 3.12Å
45A89.1Confident86.4Confident48 Ų4872.6 Ų72.640%0.39743%0.428SS..Hα-helixtrans-73.4-41.1176.600000111.6L37 Y42 T47 A48 L49L37-A45 HydrophobicContact CD1-CB 4.42Å; L37-A45 HydrophobicContact CD2-CB 4.42Å; Y42-A45 WeakPolarHBondContact O-CB 3.18Å; Y42-A45 PolarHBondContact O-N 2.89Å; A45-T47 VanDerWaalsContact C-N 3.29Å; A45-T47 PolarHBondContact O-N 2.93Å; A45-A48 PolarHBondContact O-N 2.9Å; A45-L49 WeakPolarHBondContact O-CB 3.4Å; A45-L49 PolarHBondContact O-N 3.16Å
46A88.6Confident85.8Confident0 Ų069.7 Ų69.70%042%0.421CS..Hα-helixtrans-59.9-39.9173.200000111.8Y34 L37 L38 Y42 L49 D50Y34-A46 HydrophobicContact CD2-CB 3.9Å; Y34-A46 WeakPolarHBondContact CD2-O 3.45Å; Y34-A46 HydrophobicContact CE2-CB 3.91Å; Y34-A46 VanDerWaalsContact CE2-O 3.3Å; Y34-A46 WeakPolarHBondContact CE2-O 3.48Å; L37-A46 HydrophobicContact CB-CB 4.07Å; L38-A46 HydrophobicContact CD2-CB 3.7Å; L38-A46 HydrophobicContact CG-CB 3.97Å; Y42-A46 PolarHBondContact O-N 3.16Å; A46-L49 PolarHBondContact O-N 3.46Å; A46-D50 PolarHBondContact O-N 3.13Å
47T88.1Confident85.3Confident75 Ų7567.4 Ų67.446%0.4641%0.411SS..Hα-helixtrans-66.6-40.1177-56.90000112.3A43 A45 D50 Q51A43-T47 WeakPolarHBondContact O-CB 3.38Å; A43-T47 PolarHBondContact O-N 3.43Å; A43-T47 PolarHBondContact O-OG1 3.08Å; A45-T47 VanDerWaalsContact C-N 3.29Å; A45-T47 PolarHBondContact O-N 2.93Å; T47-D50 PolarHBondContact O-N 3.1Å; T47-Q51 WeakPolarHBondContact O-CG 3.25Å; T47-Q51 PolarHBondContact O-N 3.06Å; T47-Q51 VanDerWaalsContact O-N 3.16Å
48A88.9Confident84.7Confident39 Ų3972.7 Ų72.732%0.32243%0.433SS..Hα-helixtrans-63.8-42.9173.700000111.7S44 A45 D50 Q51 E52S44-A48 PolarHBondContact O-N 3.4Å; S44-A48 VanDerWaalsContact O-N 3.12Å; A45-A48 PolarHBondContact O-N 2.9Å; A48-D50 PolarHBondContact O-N 2.9Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 2.89Å; A48-Q51 VanDerWaalsContact O-N 3.13Å; A48-E52 PolarHBondContact O-N 2.99Å
49L88.8Confident84.2Confident30 Ų3076.8 Ų76.816%0.15745%0.448CS..Hα-helixtrans-62-39.2177.9-174.663.5000112.8L30 I33 L37 A45 A46 T53L30-L49 HydrophobicContact CD2-CD1 4.24Å; I33-L49 HydrophobicContact CG2-CD2 4.02Å; L37-L49 HydrophobicContact CD1-CD2 4.18Å; A45-L49 WeakPolarHBondContact O-CB 3.4Å; A45-L49 PolarHBondContact O-N 3.16Å; A46-L49 PolarHBondContact O-N 3.46Å; L49-T53 WeakPolarHBondContact O-CB 3.15Å; L49-T53 WeakPolarHBondContact O-CG2 3.27Å; L49-T53 PolarHBondContact O-N 2.99Å; L49-T53 VanDerWaalsContact O-N 3.09Å; L49-T53 PolarHBondContact O-OG1 2.86Å
50D85.8Confident84Confident26 Ų2679.7 Ų79.714%0.13944%0.441CS..Hα-helixtrans-69.3-32.3174.7-166.151.6000111.9Y34 A46 T47 A48 T53 N54 G55 V57 K58Y34-D50 HydrophobicContact CE2-CB 3.96Å; A46-D50 PolarHBondContact O-N 3.13Å; T47-D50 PolarHBondContact O-N 3.1Å; A48-D50 PolarHBondContact O-N 2.9Å; D50-T53 WeakPolarHBondContact CA-OG1 3.38Å; D50-T53 PolarHBondContact O-OG1 3.31Å; D50-N54 PolarHBondContact O-N 2.8Å; D50-G55 WeakPolarHBondContact O-CA 3.27Å; D50-G55 PolarHBondContact O-N 2.93Å; D50-V57 PolarHBondContact OD1-N 3.45Å; D50-K58 WeakPolarHBondContact OD1-CB 3.41Å; D50-K58 PolarHBondContact OD1-N 2.94Å; D50-K58 WeakPolarHBondContact OD2-CB 3.48Å
51Q86.9Confident83.5Confident141 Ų14182.4 Ų82.466%0.65945%0.453SS*.Hα-helixtrans-69-48.4172.9-71175.51300112.1T47 A48 T53 N54T47-Q51 WeakPolarHBondContact O-CG 3.25Å; T47-Q51 PolarHBondContact O-N 3.06Å; T47-Q51 VanDerWaalsContact O-N 3.16Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 2.89Å; A48-Q51 VanDerWaalsContact O-N 3.13Å; Q51-T53 PolarHBondContact O-N 3Å; Q51-N54 PolarHBondContact O-N 3.35Å
52E85.7Confident83.2Confident158 Ų15881 Ų8174%0.73843%0.432SS*.Hα-helixtrans-61.4-26.1176.8-72.2177.4-159.500112.7A48A48-E52 PolarHBondContact O-N 2.99Å
53T82.8Confident82.5Confident39 Ų3978.7 Ų78.724%0.23944%0.437CS..THydrogen-bonded Turntrans-97.217.817658.80000114L30 L49 D50 Q51 G55 G56 V57L30-T53 HydrophobicContact CD1-CG2 4.2Å; L49-T53 WeakPolarHBondContact O-CB 3.15Å; L49-T53 WeakPolarHBondContact O-CG2 3.27Å; L49-T53 PolarHBondContact O-N 2.99Å; L49-T53 VanDerWaalsContact O-N 3.09Å; L49-T53 PolarHBondContact O-OG1 2.86Å; D50-T53 WeakPolarHBondContact CA-OG1 3.38Å; D50-T53 PolarHBondContact O-OG1 3.31Å; Q51-T53 PolarHBondContact O-N 3Å; T53-G55 VanDerWaalsContact C-N 3.35Å; T53-G55 PolarHBondContact O-N 3.09Å; T53-G56 PolarHBondContact O-N 2.97Å; T53-G56 VanDerWaalsContact O-N 3.09Å; T53-V57 HydrophobicContact CG2-CG2 3.97Å; T53-V57 VanDerWaalsContact OG1-CG2 3.29Å; T53-V57 WeakPolarHBondContact OG1-CG2 3.49Å
54N78.6Confident81.7Confident152 Ų15284.1 Ų84.181%0.81346%0.458SS*.THydrogen-bonded Turntrans55.739177-72-44.9000114.7D50 Q51 G56D50-N54 PolarHBondContact O-N 2.8Å; Q51-N54 PolarHBondContact O-N 3.35Å; N54-G56 PolarHBondContact O-N 3.41Å
55G67.6Low80.8Confident24 Ų2485.8 Ų85.825%0.24746%0.459CS..THydrogen-bonded Turntrans62.129.6-177.400000112.5D50 T53 K59D50-G55 WeakPolarHBondContact O-CA 3.27Å; D50-G55 PolarHBondContact O-N 2.93Å; T53-G55 VanDerWaalsContact C-N 3.35Å; T53-G55 PolarHBondContact O-N 3.09Å; G55-K59 WeakPolarHBondContact O-CD 3.46Å; G55-K59 VanDerWaalsContact O-CE 3.23Å; G55-K59 WeakPolarHBondContact O-CE 3.46Å; G55-K59 PolarHBondContact O-NZ 3.13Å
56G73.3Confident80.2Confident25 Ų2586.8 Ų86.826%0.25846%0.46SS..  trans-83.5-34.2-179.800000112.9T53 N54 F60T53-G56 PolarHBondContact O-N 2.97Å; T53-G56 VanDerWaalsContact O-N 3.09Å; N54-G56 PolarHBondContact O-N 3.41Å; G56-F60 VanDerWaalsContact O-CD2 3.23Å; G56-F60 WeakPolarHBondContact O-CD2 3.48Å; G56-F60 VanDerWaalsContact O-CE2 3.29Å; G56-F60 WeakPolarHBondContact O-CE2 3.36Å
57V78.9Confident79.8Confident8 Ų890 Ų905%0.04848%0.477CS..G310 helixtrans-80.9-42.5-168.3174.20000111.8L30 V31 Y34 D50 T53 K59 F60L30-V57 HydrophobicContact CB-CG2 4.1Å; V31-V57 HydrophobicContact CB-CG1 4.47Å; V31-V57 HydrophobicContact CG2-CG1 4.03Å; Y34-V57 VanDerWaalsContact CB-CG1 3.44Å; Y34-V57 HydrophobicContact CD1-CG1 3.91Å; Y34-V57 HydrophobicContact CD2-CG1 4Å; Y34-V57 HydrophobicContact CG-CG1 3.53Å; D50-V57 PolarHBondContact OD1-N 3.45Å; T53-V57 HydrophobicContact CG2-CG2 3.97Å; T53-V57 VanDerWaalsContact OG1-CG2 3.29Å; T53-V57 WeakPolarHBondContact OG1-CG2 3.49Å; V57-K59 PolarHBondContact O-N 3.36Å; V57-F60 PolarHBondContact O-N 3.34Å; V57-F60 VanDerWaalsContact O-N 3.07Å
58K76.8Confident79.8Confident149 Ų14989.3 Ų89.365%0.64847%0.47SS*.G310 helixtrans-58.9-8.8177.1-176.4170.8179.8177.80115.4D50D50-K58 WeakPolarHBondContact OD1-CB 3.41Å; D50-K58 PolarHBondContact OD1-N 2.94Å; D50-K58 WeakPolarHBondContact OD2-CB 3.48Å
59K78.9Confident79.5Confident156 Ų15693.4 Ų93.468%0.67848%0.483SS*.G310 helixtrans-88.9-4.9178-67170.5-179.5139.50113.9G55 V57G55-K59 WeakPolarHBondContact O-CD 3.46Å; G55-K59 VanDerWaalsContact O-CE 3.23Å; G55-K59 WeakPolarHBondContact O-CE 3.46Å; G55-K59 PolarHBondContact O-NZ 3.13Å; V57-K59 PolarHBondContact O-N 3.36Å
60F79.4Confident79.4Confident131 Ų13195.2 Ų95.258%0.57549%0.492SS*.  trans-126.1137.2-178-58.3-80.7000110.1V31 G56 V57V31-F60 HydrophobicContact CG1-CB 4.17Å; V31-F60 HydrophobicContact CG2-CB 3.81Å; V31-F60 HydrophobicContact CG2-CD2 4.48Å; V31-F60 HydrophobicContact CG2-CG 4.48Å; G56-F60 VanDerWaalsContact O-CD2 3.23Å; G56-F60 WeakPolarHBondContact O-CD2 3.48Å; G56-F60 VanDerWaalsContact O-CE2 3.29Å; G56-F60 WeakPolarHBondContact O-CE2 3.36Å; V57-F60 PolarHBondContact O-N 3.34Å; V57-F60 VanDerWaalsContact O-N 3.07Å
61E78.2Confident79.6Confident167 Ų16797.1 Ų97.178%0.7850%0.504SS*.  trans-106155.4175.5-169.4156.2-143.600109.3
62V81.1Confident79.7Confident29 Ų2994.2 Ų94.218%0.17649%0.493CS..  trans-88.1136175.7-173.90000108.5V31 L32 Q35 V66V31-V62 HydrophobicContact CG1-CG2 3.85Å; L32-V62 HydrophobicContact CD2-CG1 3.64Å; L32-V62 HydrophobicContact CD2-CG2 4.1Å; Q35-V62 HydrophobicContact CB-CG2 3.85Å; Q35-V62 HydrophobicContact CG-CG2 4.1Å; V62-V66 HydrophobicContact CG1-CB 4.14Å; V62-V66 WeakPolarHBondContact CG1-O 3.43Å
63C78Confident79.7Confident97 Ų9791.3 Ų91.366%0.65548%0.48SS*.  trans-62.9138.6177.1-53.80000111.6N65 V66C63-N65 PolarHBondContact O-N 3.46Å; C63-V66 PolarHBondContact O-N 2.94Å
64D72.6Confident80Confident164 Ų16495.7 Ų95.788%0.87750%0.498SS*.THydrogen-bonded Turntrans-47.6-18.9-170.8-44-32.3000117.6
65N69Low80.5Confident144 Ų14494 Ų9477%0.7748%0.481SS*.THydrogen-bonded Turntrans-107.712.1-176.6-62.7-61.3000113.9C63C63-N65 PolarHBondContact O-N 3.46Å
66V76.3Confident81.5Confident69 Ų6996 Ų9642%0.41848%0.484SS..  trans-130.9123.2-177.4-173.30000111L32 V62 C63 V71L32-V66 HydrophobicContact CD2-CG1 4.05Å; V62-V66 HydrophobicContact CG1-CB 4.14Å; V62-V66 WeakPolarHBondContact CG1-O 3.43Å; C63-V66 PolarHBondContact O-N 2.94Å; V66-V71 HydrophobicContact CG1-CG2 4.05Å
67D80.8Confident82.2Confident67 Ų6798.6 Ų98.636%0.35849%0.492SS..  trans-126153.8166.2-162.4-36.3000108.8H36 E69 I70 V71H36-D67 IonicContact ND1-OD1 3.2Å; D67-E69 PolarHBondContact O-N 2.86Å; D67-E69 PolarHBondContact OD1-N 2.84Å; D67-I70 HydrophobicContact CB-CD1 4.11Å; D67-I70 HydrophobicContact CB-CG1 4.09Å; D67-I70 PolarHBondContact O-N 2.99Å; D67-I70 VanDerWaalsContact O-N 3.13Å; D67-V71 WeakPolarHBondContact O-CG2 3.42Å; D67-V71 PolarHBondContact O-N 3.01Å
68L86.6Confident82.8Confident61 Ų61104.5 Ų104.532%0.31951%0.514SS..Hα-helixtrans-55.6-34170.2-175.261.7000111.9I33 H36 L72I33-L68 HydrophobicContact CG1-CD2 4.29Å; H36-L68 HydrophobicContact CB-CB 4.45Å; H36-L68 HydrophobicContact CB-CD2 4.11Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 PolarHBondContact O-N 3.28Å
69E84.4Confident83.3Confident125 Ų12599.2 Ų99.258%0.58449%0.492SS*.Hα-helixtrans-69.2-39.8175.2-172.3162.4-16700112.3D67 L72 M73D67-E69 PolarHBondContact O-N 2.86Å; D67-E69 PolarHBondContact OD1-N 2.84Å; E69-L72 PolarHBondContact O-N 3.3Å; E69-M73 WeakPolarHBondContact O-CB 3.47Å; E69-M73 PolarHBondContact O-N 3.24Å
70I86.8Confident83.8Confident67 Ų6796 Ų9634%0.34448%0.476SS..Hα-helixtrans-64.1-46174.7-61.6172.6000110.3D67 L72 M73 E74D67-I70 HydrophobicContact CB-CD1 4.11Å; D67-I70 HydrophobicContact CB-CG1 4.09Å; D67-I70 PolarHBondContact O-N 2.99Å; D67-I70 VanDerWaalsContact O-N 3.13Å; I70-L72 VanDerWaalsContact C-N 3.28Å; I70-L72 PolarHBondContact O-N 3.47Å; I70-M73 HydrophobicContact CG2-CE 4.42Å; I70-M73 PolarHBondContact O-N 2.86Å; I70-E74 HydrophobicContact CG2-CG 4.48Å; I70-E74 PolarHBondContact O-N 3Å
71V88.2Confident84.3Confident66 Ų6695 Ų9540%0.448%0.48SS..Hα-helixtrans-61.3-36.5178.1172.70000111.8V66 D67 Y75V66-V71 HydrophobicContact CG1-CG2 4.05Å; D67-V71 WeakPolarHBondContact O-CG2 3.42Å; D67-V71 PolarHBondContact O-N 3.01Å; V71-Y75 PolarHBondContact O-N 3.24Å
72L88.8Confident84.6Confident80 Ų8092.6 Ų92.642%0.41947%0.467SS..Hα-helixtrans-65.9-47.5174.9-171.967.3000111.3L68 E69 I70 Y75 E76 F89L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 PolarHBondContact O-N 3.28Å; E69-L72 PolarHBondContact O-N 3.3Å; I70-L72 VanDerWaalsContact C-N 3.28Å; I70-L72 PolarHBondContact O-N 3.47Å; L72-Y75 PolarHBondContact O-N 2.75Å; L72-E76 PolarHBondContact O-N 2.81Å; L72-F89 HydrophobicContact CD1-CD1 3.97Å; L72-F89 HydrophobicContact CD1-CD2 4.12Å; L72-F89 HydrophobicContact CD1-CE1 3.58Å; L72-F89 HydrophobicContact CD1-CE2 3.74Å; L72-F89 HydrophobicContact CD1-CG 4.22Å; L72-F89 HydrophobicContact CD1-CZ 3.44Å; L72-F89 VanDerWaalsContact CD1-CZ 3.44Å; L72-F89 HydrophobicContact CG-CE2 4.35Å; L72-F89 HydrophobicContact CG-CZ 4.34Å
73M87.3Confident84.9Confident98 Ų9896.9 Ų96.948%0.48348%0.484SS..Hα-helixtrans-61.6-43.4178.4176.8-178.360.500112.6E69 I70 Y75 E76 N77E69-M73 WeakPolarHBondContact O-CB 3.47Å; E69-M73 PolarHBondContact O-N 3.24Å; I70-M73 HydrophobicContact CG2-CE 4.42Å; I70-M73 PolarHBondContact O-N 2.86Å; M73-Y75 VanDerWaalsContact C-N 3.32Å; M73-Y75 PolarHBondContact O-N 3.46Å; M73-E76 PolarHBondContact O-N 3.19Å; M73-N77 WeakPolarHBondContact O-CB 3.45Å; M73-N77 PolarHBondContact O-N 3.46Å; M73-N77 PolarHBondContact O-ND2 3.28Å; M73-N77 VanDerWaalsContact O-ND2 3.13Å
74E88.3Confident85.3Confident130 Ų13098.8 Ų98.861%0.60748%0.483SS*.Hα-helixtrans-61-41.9175.6-74.6-16815800111.8I70 N77 Y78I70-E74 HydrophobicContact CG2-CG 4.48Å; I70-E74 PolarHBondContact O-N 3Å; E74-N77 PolarHBondContact O-N 2.96Å; E74-Y78 WeakPolarHBondContact O-CB 3.31Å; E74-Y78 PolarHBondContact O-N 2.67Å
75Y89.4Confident86.1Confident118 Ų11897.4 Ų97.446%0.46347%0.469SS..Hα-helixtrans-69.2-38.4177.5179.8-98.4000112.7V71 L72 M73 H79 P87 F89V71-Y75 PolarHBondContact O-N 3.24Å; L72-Y75 PolarHBondContact O-N 2.75Å; M73-Y75 VanDerWaalsContact C-N 3.32Å; M73-Y75 PolarHBondContact O-N 3.46Å; Y75-H79 VanDerWaalsContact O-CB 3.25Å; Y75-H79 WeakPolarHBondContact O-CB 3.23Å; Y75-H79 PolarHBondContact O-N 3.48Å; Y75-P87 HydrophobicContact CD1-CG 4.39Å; Y75-P87 HydrophobicContact CE1-CB 4.23Å; Y75-P87 HydrophobicContact CE1-CG 4.18Å; Y75-F89 AromaticContact CD1-CE1 3.75Å; Y75-F89 HydrophobicContact CD1-CE1 3.75Å; Y75-F89 AromaticContact CD1-CZ 3.78Å; Y75-F89 HydrophobicContact CD1-CZ 3.78Å; Y75-F89 AromaticContact CE1-CE1 3.84Å; Y75-F89 HydrophobicContact CE1-CE1 3.84Å; Y75-F89 HydrophobicContact CE1-CZ 4.13Å
76E89.1Confident86.8Confident64 Ų6496.3 Ų96.330%0.29946%0.455SS..Hα-helixtrans-57.9-48.7170.8-78-166.3150.700111.7L72 M73 H79 Y80 Y86 P87 F89L72-E76 PolarHBondContact O-N 2.81Å; M73-E76 PolarHBondContact O-N 3.19Å; E76-H79 PolarHBondContact O-N 2.96Å; E76-Y80 WeakPolarHBondContact O-CB 3.47Å; E76-Y80 PolarHBondContact O-N 3.12Å; E76-Y86 HydrophobicContact CB-CD1 4.25Å; E76-Y86 HydrophobicContact CB-CE1 4.49Å; E76-P87 HydrophobicContact CG-CG 4.01Å; E76-F89 HydrophobicContact CG-CE2 3.6Å; E76-F89 HydrophobicContact CG-CZ 3.8Å; E76-F89 WeakPolarHBondContact OE1-CE2 3.21Å
77N88.4Confident87.3Confident81 Ų8194.1 Ų94.143%0.43344%0.442SS..Hα-helixtrans-63.5-45.5179.4-74.4-37000111.9M73 E74 H79 Y80 V81M73-N77 WeakPolarHBondContact O-CB 3.45Å; M73-N77 PolarHBondContact O-N 3.46Å; M73-N77 PolarHBondContact O-ND2 3.28Å; M73-N77 VanDerWaalsContact O-ND2 3.13Å; E74-N77 PolarHBondContact O-N 2.96Å; N77-H79 PolarHBondContact O-N 3.08Å; N77-Y80 PolarHBondContact O-N 3.4Å; N77-V81 WeakPolarHBondContact O-CG2 3.44Å; N77-V81 PolarHBondContact O-N 3.5Å
78Y90.4Very high87.5Confident132 Ų13299.9 Ų99.952%0.51846%0.464SS..Hα-helixtrans-58.3-46.7174.4174.1-95.6000112E74 K82E74-Y78 WeakPolarHBondContact O-CB 3.31Å; E74-Y78 PolarHBondContact O-N 2.67Å; Y78-K82 HydrophobicContact CE1-CD 3.79Å; Y78-K82 VanDerWaalsContact O-CB 3.27Å; Y78-K82 WeakPolarHBondContact O-CB 3.32Å; Y78-K82 PolarHBondContact O-N 3.29Å; Y78-K82 WeakPolarHBondContact OH-CD 3.43Å; Y78-K82 PolarHBondContact OH-NZ 3.04Å
79H88.1Confident87.3Confident37 Ų37101.7 Ų101.717%0.17147%0.47CS..Hα-helixtrans-66.9-38.6179.6-172.3-65.4000111.5Y75 E76 N77 K82 F83 K85 P87Y75-H79 VanDerWaalsContact O-CB 3.25Å; Y75-H79 WeakPolarHBondContact O-CB 3.23Å; Y75-H79 PolarHBondContact O-N 3.48Å; E76-H79 PolarHBondContact O-N 2.96Å; N77-H79 PolarHBondContact O-N 3.08Å; H79-K82 PolarHBondContact O-N 3.43Å; H79-F83 AromaticContact CD2-CD2 3.81Å; H79-F83 AromaticContact CE1-CD2 3.69Å; H79-F83 AromaticContact CG-CD2 3.83Å; H79-F83 AromaticContact ND1-CD2 3.77Å; H79-F83 AromaticContact NE2-CD2 3.73Å; H79-F83 WeakPolarHBondContact O-CB 3.45Å; H79-F83 WeakPolarHBondContact O-CD2 3.36Å; H79-F83 PolarHBondContact O-N 3.5Å; H79-K85 PolarHBondContact CE1-O 3.41Å; H79-K85 PolarHBondContact ND1-O 3.49Å; H79-P87 HydrophobicContact CB-CG 4.16Å
80Y88.4Confident87.3Confident89 Ų89103.3 Ų103.335%0.34948%0.481SS..Hα-helixtrans-63.3-49.8175.3-178.6-98.6000111.8E76 N77 K82 F83 Q84 Y86E76-Y80 WeakPolarHBondContact O-CB 3.47Å; E76-Y80 PolarHBondContact O-N 3.12Å; N77-Y80 PolarHBondContact O-N 3.4Å; Y80-K82 VanDerWaalsContact C-N 3.31Å; Y80-K82 PolarHBondContact O-N 3.04Å; Y80-F83 PolarHBondContact O-N 3.38Å; Y80-Q84 WeakPolarHBondContact O-CA 3.33Å; Y80-Q84 PolarHBondContact O-N 2.96Å; Y80-Y86 HydrophobicContact CD2-CD1 4.49Å; Y80-Y86 AromaticContact CD2-CD2 3.66Å; Y80-Y86 HydrophobicContact CD2-CD2 3.66Å; Y80-Y86 HydrophobicContact CD2-CE1 4.26Å; Y80-Y86 AromaticContact CD2-CE2 3.38Å; Y80-Y86 HydrophobicContact CD2-CE2 3.38Å; Y80-Y86 HydrophobicContact CD2-CG 4.21Å; Y80-Y86 AromaticContact CD2-CZ 3.71Å; Y80-Y86 HydrophobicContact CE2-CD2 4.11Å; Y80-Y86 AromaticContact CE2-CE2 3.63Å; Y80-Y86 HydrophobicContact CE2-CE2 3.63Å; Y80-Y86 HydrophobicContact CG-CE1 4.26Å; Y80-Y86 HydrophobicContact CG-CE2 4.09Å; Y80-Y86 AromaticContact CG-CZ 3.92Å
81V89.8Confident87.3Confident109 Ų109108.7 Ų108.766%0.66150%0.497SS*.Hα-helixtrans-58-44.1177.2169.90000111.3N77N77-V81 WeakPolarHBondContact O-CG2 3.44Å; N77-V81 PolarHBondContact O-N 3.5Å
82K86.1Confident86.8Confident117 Ų117114.8 Ų114.851%0.50952%0.518SS..Hα-helixtrans-76.7-30.7-174.6-171.1172.5-176.9179.80114.8Y78 H79 Y80Y78-K82 HydrophobicContact CE1-CD 3.79Å; Y78-K82 VanDerWaalsContact O-CB 3.27Å; Y78-K82 WeakPolarHBondContact O-CB 3.32Å; Y78-K82 PolarHBondContact O-N 3.29Å; Y78-K82 WeakPolarHBondContact OH-CD 3.43Å; Y78-K82 PolarHBondContact OH-NZ 3.04Å; H79-K82 PolarHBondContact O-N 3.43Å; Y80-K82 VanDerWaalsContact C-N 3.31Å; Y80-K82 PolarHBondContact O-N 3.04Å
83F86.3Confident86Confident119 Ų119115 Ų11552%0.52252%0.522SS..Hα-helixtrans-127.65.8-171.3-57.3-68.9000114.5H79 Y80 K85H79-F83 AromaticContact CD2-CD2 3.81Å; H79-F83 AromaticContact CE1-CD2 3.69Å; H79-F83 AromaticContact CG-CD2 3.83Å; H79-F83 AromaticContact ND1-CD2 3.77Å; H79-F83 AromaticContact NE2-CD2 3.73Å; H79-F83 WeakPolarHBondContact O-CB 3.45Å; H79-F83 WeakPolarHBondContact O-CD2 3.36Å; H79-F83 PolarHBondContact O-N 3.5Å; Y80-F83 PolarHBondContact O-N 3.38Å; F83-K85 WeakPolarHBondContact O-CB 3.03Å; F83-K85 PolarHBondContact O-N 2.94Å; F83-K85 VanDerWaalsContact O-N 3.15Å
84Q86.9Confident85.1Confident138 Ų138117.1 Ų117.165%0.64553%0.531SS*.SBendtrans51.234.2-177.6-65.5-63.3-45.600113.4Y80Y80-Q84 WeakPolarHBondContact O-CA 3.33Å; Y80-Q84 PolarHBondContact O-N 2.96Å
85K88.3Confident83.5Confident135 Ų135117.4 Ų117.459%0.58754%0.544SS*.SBendtrans-161.8134.3-169.8-173.4175.2-179.1177.30110.9H79 F83H79-K85 PolarHBondContact CE1-O 3.41Å; H79-K85 PolarHBondContact ND1-O 3.49Å; F83-K85 WeakPolarHBondContact O-CB 3.03Å; F83-K85 PolarHBondContact O-N 2.94Å; F83-K85 VanDerWaalsContact O-N 3.15Å
86Y83.6Confident81.7Confident121 Ų121114.9 Ų114.948%0.47556%0.555SS.*  trans-71.1142.1173-71.7-82.3000111.9E76 Y80E76-Y86 HydrophobicContact CB-CD1 4.25Å; E76-Y86 HydrophobicContact CB-CE1 4.49Å; Y80-Y86 HydrophobicContact CD2-CD1 4.49Å; Y80-Y86 AromaticContact CD2-CD2 3.66Å; Y80-Y86 HydrophobicContact CD2-CD2 3.66Å; Y80-Y86 HydrophobicContact CD2-CE1 4.26Å; Y80-Y86 AromaticContact CD2-CE2 3.38Å; Y80-Y86 HydrophobicContact CD2-CE2 3.38Å; Y80-Y86 HydrophobicContact CD2-CG 4.21Å; Y80-Y86 AromaticContact CD2-CZ 3.71Å; Y80-Y86 HydrophobicContact CE2-CD2 4.11Å; Y80-Y86 AromaticContact CE2-CE2 3.63Å; Y80-Y86 HydrophobicContact CE2-CE2 3.63Å; Y80-Y86 HydrophobicContact CG-CE1 4.26Å; Y80-Y86 HydrophobicContact CG-CE2 4.09Å; Y80-Y86 AromaticContact CG-CZ 3.92Å
87P87.9Confident79.6Confident22 Ų22117.9 Ų117.914%0.14357%0.569CS.*  trans-67.6165.2174.928.8-33.6000111.7Y75 E76 H79 F89Y75-P87 HydrophobicContact CD1-CG 4.39Å; Y75-P87 HydrophobicContact CE1-CB 4.23Å; Y75-P87 HydrophobicContact CE1-CG 4.18Å; E76-P87 HydrophobicContact CG-CG 4.01Å; H79-P87 HydrophobicContact CB-CG 4.16Å; P87-F89 HydrophobicContact CB-CE1 4.41Å; P87-F89 HydrophobicContact CB-CE2 4.35Å; P87-F89 HydrophobicContact CB-CZ 4.05Å; P87-F89 HydrophobicContact CG-CE1 4.22Å; P87-F89 HydrophobicContact CG-CE2 3.69Å; P87-F89 HydrophobicContact CG-CZ 3.42Å; P87-F89 VanDerWaalsContact CG-CZ 3.42Å
88K84.3Confident77.2Confident189 Ų189125.7 Ų125.782%0.82259%0.592SS**  trans-12093.9178.5-70.8-171175.8-172.20111
89F82.2Confident75Confident99 Ų99128.9 Ų128.943%0.43460%0.603SS.*  trans-75.1-33.6179.6-51.7-77.5000113.7L72 Y75 E76 P87L72-F89 HydrophobicContact CD1-CD1 3.97Å; L72-F89 HydrophobicContact CD1-CD2 4.12Å; L72-F89 HydrophobicContact CD1-CE1 3.58Å; L72-F89 HydrophobicContact CD1-CE2 3.74Å; L72-F89 HydrophobicContact CD1-CG 4.22Å; L72-F89 HydrophobicContact CD1-CZ 3.44Å; L72-F89 VanDerWaalsContact CD1-CZ 3.44Å; L72-F89 HydrophobicContact CG-CE2 4.35Å; L72-F89 HydrophobicContact CG-CZ 4.34Å; Y75-F89 AromaticContact CD1-CE1 3.75Å; Y75-F89 HydrophobicContact CD1-CE1 3.75Å; Y75-F89 AromaticContact CD1-CZ 3.78Å; Y75-F89 HydrophobicContact CD1-CZ 3.78Å; Y75-F89 AromaticContact CE1-CE1 3.84Å; Y75-F89 HydrophobicContact CE1-CE1 3.84Å; Y75-F89 HydrophobicContact CE1-CZ 4.13Å; E76-F89 HydrophobicContact CG-CE2 3.6Å; E76-F89 HydrophobicContact CG-CZ 3.8Å; E76-F89 WeakPolarHBondContact OE1-CE2 3.21Å; P87-F89 HydrophobicContact CB-CE1 4.41Å; P87-F89 HydrophobicContact CB-CE2 4.35Å; P87-F89 HydrophobicContact CB-CZ 4.05Å; P87-F89 HydrophobicContact CG-CE1 4.22Å; P87-F89 HydrophobicContact CG-CE2 3.69Å; P87-F89 HydrophobicContact CG-CZ 3.42Å; P87-F89 VanDerWaalsContact CG-CZ 3.42Å
90I84.8Confident72.8Confident158 Ų158133.1 Ų133.181%0.8163%0.634SS**  trans-114.8132.3-172.2-54.3177000110.5
91R86.8Confident70.5Confident181 Ų181136.8 Ų136.868%0.68366%0.658SS**  trans-116.5132.3168-172.5-178.372.7106.1-3.2108.5
92K77.7Confident67.7Low193 Ų193137.9 Ų137.984%0.83967%0.67SS**PPolyproline II helixtrans-63.9137.9170.3-70.9-175176.2-178.20109.8
93T72.4Confident65.4Low84 Ų84137.2 Ų137.252%0.51569%0.686SS.*PPolyproline II helixtrans-93136.2173.1-47.90000109.2E97T93-E97 HydrophobicContact CG2-CB 4.33Å
94E68.4Low62.9Low143 Ų143140.5 Ų140.567%0.66870%0.703SS**PPolyproline II helixtrans-62.7141.6172.2-69.1-64.6138.400110.6G96E94-G96 PolarHBondContact O-N 3.1Å
95P53.6Low60Low136 Ų136140.5 Ų140.588%0.88372%0.716SS**THydrogen-bonded Turntrans-74.768.4-17831.9-36000112.4
96G52.8Low57.3Low66 Ų66144.6 Ų144.668%0.6873%0.734SS**THydrogen-bonded Turntrans-166.4-30.9177.800000114.7E94 R98E94-G96 PolarHBondContact O-N 3.1Å; G96-R98 PolarHBondContact O-N 3.2Å
97E44.4Very low54.7Low127 Ų127142.5 Ų142.559%0.59375%0.749SS**  trans-7677-177.8-66.8-166.6130.500113.3T93 R99T93-E97 HydrophobicContact CG2-CB 4.33Å; E97-R99 PolarHBondContact O-N 3.39Å; E97-R99 VanDerWaalsContact O-N 3.15Å
98R38.7Very low51.9Low244 Ų244149.7 Ų149.792%0.92178%0.781SS**  trans-71.2102.7161.8-71.2-170.4-178.6-168.11.5109.6G96G96-R98 PolarHBondContact O-N 3.2Å
99R44.7Very low49.2Very low200 Ų200147.1 Ų147.176%0.75578%0.776SS**PPolyproline II helixtrans-60.3141.9164.6-60.1-177.4-170.6171.44.9109.3E97 L101E97-R99 PolarHBondContact O-N 3.39Å; E97-R99 VanDerWaalsContact O-N 3.15Å; R99-L101 PolarHBondContact O-N 2.64Å
100P40Very low46.5Very low126 Ų126150.6 Ų150.682%0.81879%0.791SS**PPolyproline II helixtrans-65.4129.1174.327.4-33.4000110
101L40.2Very low43.7Very low165 Ų165151 Ų15186%0.86479%0.789SS**PPolyproline II helixtrans-75.4139.4165.5-73.3163.8000108.7R99 A103R99-L101 PolarHBondContact O-N 2.64Å; L101-A103 PolarHBondContact O-N 2.95Å
102C32.2Very low40.7Very low133 Ų133148.3 Ų148.390%0.89979%0.793SS**PPolyproline II helixtrans-62.8123.3175.4-63.20000110.1E104C102-E104 PolarHBondContact O-N 3.43Å
103A37.8Very low38.2Very low103 Ų103148.1 Ų148.185%0.85179%0.793SS**  trans-96.572.1-172.400000111.9L101L101-A103 PolarHBondContact O-N 2.95Å
104E33.1Very low35.9Very low188 Ų188149 Ų14988%0.87980%0.803SS**  trans-149.892.8174.3-136162.1-127.300112.7C102C102-E104 PolarHBondContact O-N 3.43Å
105C27.3Very low33.9Very low137 Ų137149 Ų14993%0.92681%0.807SS**  trans-164.897.2162.2-118.90000109.5
106K30.9Very low32.7Very low222 Ų222147.9 Ų147.997%0.96580%0.798SS**  trans-106.5118.5168.2-80.1-174.4177.2179.10109.1
107G28.7Very low31.4Very low76 Ų76153.4 Ų153.478%0.78480%0.803SS**  trans-145.2142.316900000108.6
108E29.7Very low30.6Very low173 Ų173156.5 Ų156.581%0.80881%0.814SS**  trans-110.1154.4-165.3-54.9-170.2136.600114.3
109N26.2Very low30Very low135 Ų135155.2 Ų155.272%0.72281%0.809SS**  trans69.3152.8160.6-69.7-63.6000116.4
110K26.8Very low29.1Very low173 Ų173152.4 Ų152.475%0.75281%0.805SS**  cis-150.3155.99.2-137.1162.8-172.1173.60112
111Q26.4Very low28.7Very low165 Ų165154.4 Ų154.477%0.77180%0.801SS**  trans-10.5141.3163.8-62.4160.6-24.200118
112T23.7Very low28.2Very low125 Ų125152.4 Ų152.477%0.76780%0.797SS**  -163.9140.978.929.20000117.9
113K25.1Very low27.8Very low189 Ų189152.5 Ų152.582%0.82279%0.788SS**  trans46132.5142.5-66.2-174.2173.5-179.30124.5
114S24.2Very low27.8Very low104 Ų104152.5 Ų152.573%0.72778%0.78SS**  trans68.7147.9143.247.50000119.6
115D25.8Very low27.3Very low142 Ų142152.4 Ų152.476%0.75978%0.776SS**  cis-154.4174.37.5-135-39.1000115.1
116V27.2Very low27.3Very low113 Ų113153 Ų15369%0.68577%0.769SS**  trans44.7143.4157.2176.10000121
117K26.8Very low27Very low182 Ų182148.9 Ų148.979%0.79176%0.762SS**  cis163.9160-26.6-146.5170.7-171.6170.50106.7
118K26.8Very low27Very low191 Ų191150.6 Ų150.683%0.8376%0.76SS**  trans76157.4-175.5-46.2150.3-173.5171.60110.8
119R25.7Very low26.7Very low217 Ų217147.4 Ų147.482%0.81976%0.757SS**  cis-160.9154-12.6-120.6-173159.2163.1-2.7105.4
120Q27.1Very low26.5Very low142 Ų142147.1 Ų147.166%0.66476%0.763SS**  cis-158.7-175.8-13.4-144.9-179.5-90.200108.6
121K32Very low26.3Very low167 Ų167143.6 Ų143.673%0.72676%0.761SS**  trans-137166.9160.3-84-170.3175.7-178.20109.9
122P29.3Very low26.4Very low123 Ų123140.9 Ų140.980%0.79976%0.758SS**  -121.6-179110.2-525.8000115.9
123L24.2Very low26.4Very low135 Ų135145.9 Ų145.971%0.70776%0.762SS**  trans-114.7-171.1-179.2-84121.5000108.4
124P36.6Very low26.3Very low103 Ų103144 Ų14467%0.66977%0.767SS**  cis-145.915914.940.8-20.2000120.2
125K23.6Very low26.2Very low186 Ų186142.1 Ų142.181%0.80976%0.764SS**  trans50.6168.5130.4-53.6175.4-178.3-178.80119.2
126I25.8Very low26Very low151 Ų151143.3 Ų143.377%0.77477%0.77SS**  cis-143.1150.322.2-64.5168.2000110.5
127T24.7Very low25.9Very low134 Ų134142.9 Ų142.982%0.82277%0.772SS**  trans-115.1145.2159.350.70000110.1
128P29.7Very low25.8Very low113 Ų113140 Ų14073%0.73477%0.77SS**  -149.4176.3111.638.1-22.1000112.4
129S22.6Very low25.6Very low106 Ų106139.2 Ų139.274%0.74177%0.766SS**  cis174166.7-28.468.10000106.8
130C21.5Very low25.5Very low128 Ų128137.6 Ų137.687%0.86577%0.765SS**  trans77.2153.3159-123.40000121.6
131S24.1Very low25.3Very low100 Ų100137 Ų13770%0.69977%0.771SS**  trans-116.6172.316764.20000108.3
132P28.7Very low24.9Very low108 Ų108133.4 Ų133.470%0.70177%0.773SS**  -158.916484.441.6-21.7000118.4
133R22.2Very low24.6Very low230 Ų230132 Ų13287%0.86877%0.772SS**  trans43.2153.7139.3-68-176.4169.7-168.9-2.7124
134T24Very low24.6Very low148 Ų148131.9 Ų131.991%0.90877%0.772SS**  trans68.2147.6163.956.50000117.8
135G22Very low24Very low65 Ų65133.5 Ų133.567%0.6777%0.77SS**  cis169.7145-12.600000115.1
136N22.5Very low24Very low167 Ų167132.2 Ų132.289%0.89377%0.772SS**  trans66.2159.3165.8-72.9-9.9000121.3
137S24.3Very low24Very low104 Ų104128.9 Ų128.973%0.72778%0.776SS**  trans93.583.6151.5-11.40000121.6
138V24.4Very low23.9Very low122 Ų122129.3 Ų129.374%0.73978%0.778SS**  66.5113.4104.1170.60000120.9
139K22.8Very low24.1Very low175 Ų175129.4 Ų129.476%0.76178%0.779SS**  trans68.8133.4141.2-77.5175.1-171.8167.30122.2
140K23Very low24.2Very low182 Ų182130.6 Ų130.679%0.79178%0.781SS**  trans69.9156.7140.5-71.7-175.3172.6-166.50116.6
141T23.3Very low24.4Very low129 Ų129131.9 Ų131.979%0.79178%0.778SS**  cis-143.1164.1-4.9-8.90000112.1
142A23.2Very low25Very low92 Ų92132 Ų13276%0.7678%0.776SS**  trans-58.3169.6177.300000117.9
143A23.7Very low24.7Very low94 Ų94135.1 Ų135.178%0.77778%0.781SS**  trans76.1150.1161.700000116
144N23.7Very low24.9Very low132 Ų132128.4 Ų128.471%0.70677%0.77SS**  cis-154.3-174.81.2-152.615.5000112.9
145E24.9Very low25Very low137 Ų137128.8 Ų128.864%0.6477%0.765SS**  trans79.7104.5147.7-80.9143.7-119.400121.6
146N23.3Very low25.1Very low159 Ų159132.1 Ų132.185%0.8577%0.768SS**  60.4120.2119.7-56.3-11.7000121.1
147G25.7Very low25.3Very low82 Ų82132.2 Ų132.285%0.84577%0.768SS**  trans174.362.2169.200000117.2
148T23Very low25.3Very low142 Ų142130.1 Ų130.187%0.87176%0.763SS**  trans-101.6166.3158.941.40000109.9
149P33.2Very low25.4Very low115 Ų115131.9 Ų131.975%0.74777%0.767SS**  cis-127.4-173.63.442.7-28.1000114
150V24.6Very low25.5Very low131 Ų131130.1 Ų130.179%0.79477%0.766SS**  trans-176.9143.6130.7143.60000109.7
151I26.6Very low25.5Very low155 Ų155127 Ų12780%0.79576%0.762SS**  trans-139.1135.7175-53.8169.5000107.6
152P36Very low25.5Very low102 Ų102130.5 Ų130.566%0.66277%0.767SS**  -130.2161.6120.23.219.4000111.3
153E23.4Very low25.4Very low174 Ų174131.4 Ų131.481%0.81377%0.768SS**  cis-158.7174.7-6.3-128163.8-169.500111.7
154S25.7Very low25.5Very low90 Ų90134.1 Ų134.163%0.62977%0.767SS**  trans-57.1171.3175.147.70000115.2
155L25.5Very low25.3Very low155 Ų155137.8 Ų137.881%0.81278%0.777SS**  cis-146149.135.5-61.5148.2000109.9
156D24.9Very low25.3Very low136 Ų136138 Ų13873%0.72779%0.788SS**  cis100.3159.726.2-163.834.4000114.7
157L26.6Very low25.2Very low169 Ų169135.5 Ų135.589%0.88579%0.789SS**  trans85.6116.8-168.5-53.3175.3000115.6
158G24.7Very low25Very low60 Ų60135 Ų13562%0.61978%0.784SS**  cis155.8140.7-16.300000115
159L25.9Very low25Very low159 Ų159137.7 Ų137.783%0.83279%0.787SS**  trans67.1151.8157-48.8-179.2000117.5
160N24.8Very low24.4Very low137 Ų137136.8 Ų136.873%0.73379%0.789SS**  cis-151167.2-10.1-128.2-18000113
161T23.7Very low24.3Very low116 Ų116135 Ų13571%0.71279%0.788SS**  trans-75.2158.4176.356.10000114.3
162F22.6Very low24.1Very low204 Ų204132.5 Ų132.590%0.89578%0.784SS**  trans-144.3137.2137.3-111.4-76.9000112.4
163S21.3Very low23.5Very low111 Ų111132.6 Ų132.678%0.77679%0.788SS**  trans-115144.2164-77.80000108.6
164I25.4Very low23.6Very low151 Ų151133.7 Ų133.777%0.77479%0.789SS**  trans-126.4127165.7-62.5-179.9000108.4
165K20.5Very low23.4Very low209 Ų209138.7 Ų138.791%0.90980%0.8SS**  trans-115.4139.9162.6-72-177.4178179.50107.9
166T23.1Very low23.3Very low140 Ų140137.9 Ų137.986%0.85980%0.801SS**  trans-133.5153.416041.10000108.3
167A22.3Very low23.3Very low107 Ų107135.9 Ų135.988%0.88480%0.804SS**  trans-150.4160.2-170.800000111.3
168G22.3Very low23.1Very low71 Ų71135 Ų13573%0.73280%0.8SS**  trans97.3144.4-175.400000112.8
169E21.7Very low23.2Very low199 Ų199136 Ų13693%0.9381%0.81SS**  cis-149-177.8-2.7-93-166.7113.800112
170A21.6Very low23Very low96 Ų96137.7 Ų137.779%0.79381%0.811SS**  trans-39.2161.6178.100000118.3
171A22.3Very low23Very low94 Ų94135.9 Ų135.978%0.77782%0.815SS**  cis-173.5-154.1-15.900000107.1
172S22.7Very low23.1Very low103 Ų103136.6 Ų136.672%0.7282%0.819SS**  cis-165.7149.33.7-163.60000113
173S22.3Very low23.2Very low104 Ų104134.3 Ų134.373%0.72782%0.815SS**  trans69.2151163.484.50000117.8
174K25.3Very low23.3Very low196 Ų196136.8 Ų136.885%0.85281%0.814SS**  cis-134.4164.712.5-72.3177.1179.91700113.9
175K22Very low23.3Very low196 Ų196136.2 Ų136.285%0.85281%0.812SS**  trans-43.3157.1163-48169.5177.5179.30112.4
176T23.6Very low23.6Very low137 Ų137132.9 Ų132.984%0.8481%0.809SS**  cis-164169.144.814.50000109.5
177A24.9Very low23.7Very low95 Ų95134.8 Ų134.879%0.78581%0.806SS**  cis-161.5-173.2-3.700000109.8
178D22.9Very low23.8Very low151 Ų151136.8 Ų136.881%0.80780%0.802SS**  trans-79.2156.3-177.9-79-86.2000116.9
179G25.9Very low23.9Very low80 Ų80137 Ų13783%0.82580%0.804SS**  trans-167.182.7168.200000112.7
180K23.1Very low24.1Very low195 Ų195132.6 Ų132.685%0.84880%0.795SS**  trans-82134.8-175-68.4177.6179.6173.50113.4
181A24.2Very low24.6Very low99 Ų99134.9 Ų134.982%0.81880%0.799SS**  trans-146.5107.6155.300000111.2
182T25Very low25.3Very low131 Ų131137.3 Ų137.380%0.80480%0.797SS**  trans-45.5128.6-178.4-530000115.8
183I24.5Very low25.9Very low156 Ų156139.9 Ų139.980%0.880%0.798SS**  trans-79.6125.9158.9-62.9174.4000108.3
184H23.8Very low26.7Very low162 Ų162138.9 Ų138.975%0.7579%0.791SS**  trans-101.4115172.5-151.2-64000110.1
185N26.4Very low27.4Very low139 Ų139135.5 Ų135.574%0.74378%0.782SS**  trans-70.9139.6170.4-82.5-23.1000110.4
186V26.3Very low28.4Very low140 Ų140131.2 Ų131.285%0.84877%0.765SS**  trans-134147.8155.7-179.90000106.8
187F25.4Very low29.1Very low179 Ų179131 Ų13179%0.78576%0.756SS**  trans-107.5172.5-154.3-147.9-121.3000113.5
188N23.9Very low29.8Very low149 Ų149131.8 Ų131.880%0.79775%0.746SS**  trans74.9105.5168.4-61.5-43.9000119.1
189G23.9Very low30.9Very low76 Ų76130.5 Ų130.578%0.78474%0.739SS**  trans-140.4123.6152.200000108.8
190S26.1Very low31.9Very low107 Ų107131.3 Ų131.375%0.74872%0.717SS**  trans-62.7140.9-167.451.10000115.5I192S190-I192 PolarHBondContact O-N 3.49Å; S190-I192 VanDerWaalsContact O-N 3.16Å
191V32Very low32.8Very low144 Ų144126 Ų12687%0.87370%0.699SS**  trans-69.6103.2175.2179.50000111.4
192I36.3Very low33.7Very low144 Ų144125.9 Ų125.974%0.73869%0.687SS**  trans-141.159.4165-43179.2000111.1S190S190-I192 PolarHBondContact O-N 3.49Å; S190-I192 VanDerWaalsContact O-N 3.16Å
193H36.5Very low34.8Very low158 Ų158123.4 Ų123.473%0.73167%0.666SS**  trans-159.9114.4161.7-117.59.9000111.6H196H193-H196 AromaticContact CE1-CG 3.96Å
194S38.7Very low36Very low82 Ų82119.3 Ų119.357%0.57365%0.645SS**SBendtrans-142.6-49.2169.3-161.20000110.6H196 M197S194-H196 PolarHBondContact O-N 3.46Å; S194-M197 PolarHBondContact O-N 3.42Å
195D40.3Very low36.7Very low126 Ų126118.2 Ų118.267%0.67464%0.642SS**Hα-helixtrans-64.8-34.2-173.2-48.8-48.2000114M197 L198 L199D195-M197 VanDerWaalsContact C-N 3.33Å; D195-M197 PolarHBondContact O-N 3.37Å; D195-L198 PolarHBondContact O-N 2.93Å; D195-L199 PolarHBondContact O-N 2.85Å; D195-L199 VanDerWaalsContact O-N 3.12Å
196H42.2Very low37.2Very low106 Ų106119.2 Ų119.249%0.49164%0.639SS.*Hα-helixtrans-65.5-36.4-178.2-138.5-127.4000112.2H193 S194 L198 L199 Y200H193-H196 AromaticContact CE1-CG 3.96Å; S194-H196 PolarHBondContact O-N 3.46Å; H196-L198 VanDerWaalsContact C-N 3.33Å; H196-L198 PolarHBondContact O-N 3.44Å; H196-L199 PolarHBondContact O-N 3.37Å; H196-Y200 WeakPolarHBondContact O-CB 3.36Å; H196-Y200 PolarHBondContact O-N 3.36Å
197M38.6Very low37.9Very low131 Ų131114.8 Ų114.865%0.64561%0.614SS**Hα-helixtrans-69.8-30.6178.7-173.8170.717000111.9S194 D195 N201S194-M197 PolarHBondContact O-N 3.42Å; D195-M197 VanDerWaalsContact C-N 3.33Å; D195-M197 PolarHBondContact O-N 3.37Å; M197-N201 PolarHBondContact O-N 3.32Å; M197-N201 PolarHBondContact O-ND2 2.79Å
198L39.2Very low38.6Very low112 Ų112116.3 Ų116.359%0.58661%0.614SS**Hα-helixtrans-73.4-46.7174.3-66.4174.2000111.5D195 H196 Y200 N201 V202D195-L198 PolarHBondContact O-N 2.93Å; H196-L198 VanDerWaalsContact C-N 3.33Å; H196-L198 PolarHBondContact O-N 3.44Å; L198-Y200 VanDerWaalsContact C-N 3.31Å; L198-Y200 PolarHBondContact O-N 3.41Å; L198-N201 PolarHBondContact O-N 2.89Å; L198-V202 WeakPolarHBondContact O-CB 3.26Å; L198-V202 VanDerWaalsContact O-CG2 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.4Å; L198-V202 PolarHBondContact O-N 3.28Å
199L45.9Very low39.1Very low124 Ų124116 Ų11665%0.64961%0.612SS**Hα-helixtrans-56.6-44.4176-101.4166.8000112.2D195 H196 V202 F203D195-L199 PolarHBondContact O-N 2.85Å; D195-L199 VanDerWaalsContact O-N 3.12Å; H196-L199 PolarHBondContact O-N 3.37Å; L199-V202 PolarHBondContact O-N 3.43Å; L199-F203 WeakPolarHBondContact O-CB 3.42Å; L199-F203 PolarHBondContact O-N 2.88Å
200Y48.1Very low39.7Very low97 Ų97120.3 Ų120.338%0.3861%0.612SS.*Hα-helixtrans-64.4-44.9179.6-163.2-92.6000112.5H196 L198 F203 I204 P271H196-Y200 WeakPolarHBondContact O-CB 3.36Å; H196-Y200 PolarHBondContact O-N 3.36Å; L198-Y200 VanDerWaalsContact C-N 3.31Å; L198-Y200 PolarHBondContact O-N 3.41Å; Y200-F203 WeakPolarHBondContact O-CB 3.38Å; Y200-F203 PolarHBondContact O-N 3.29Å; Y200-I204 HydrophobicContact CD1-CG1 4.25Å; Y200-I204 HydrophobicContact CE1-CD1 4.42Å; Y200-I204 HydrophobicContact CE1-CG1 4.08Å; Y200-I204 WeakPolarHBondContact O-CG1 3.45Å; Y200-I204 PolarHBondContact O-N 3.4Å; Y200-P271 HydrophobicContact CE1-CB 3.96Å; Y200-P271 HydrophobicContact CE1-CG 3.69Å; Y200-P271 WeakPolarHBondContact OH-CB 3.31Å
201N41.3Very low40.5Very low85 Ų85124.2 Ų124.246%0.45562%0.618SS.*Hα-helixtrans-67.6-39177.8-79.5-64.5000112.7M197 L198 F203 I204 M205M197-N201 PolarHBondContact O-N 3.32Å; M197-N201 PolarHBondContact O-ND2 2.79Å; L198-N201 PolarHBondContact O-N 2.89Å; N201-F203 VanDerWaalsContact C-N 3.31Å; N201-F203 PolarHBondContact O-N 3.42Å; N201-I204 PolarHBondContact O-N 3.48Å; N201-M205 PolarHBondContact O-N 3.26Å; N201-M205 VanDerWaalsContact O-N 3.08Å
202V43.2Very low41.5Very low96 Ų96122 Ų12258%0.58259%0.594SS**Hα-helixtrans-62.5-38.4173.21700000111.3L198 L199 K206L198-V202 WeakPolarHBondContact O-CB 3.26Å; L198-V202 VanDerWaalsContact O-CG2 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.4Å; L198-V202 PolarHBondContact O-N 3.28Å; L199-V202 PolarHBondContact O-N 3.43Å; V202-K206 WeakPolarHBondContact O-CB 3.22Å; V202-K206 PolarHBondContact O-N 3.24Å
203F47.5Very low42.4Very low78 Ų78122.7 Ų122.734%0.34260%0.598SS.*Hα-helixtrans-64.6-48176.3-176.4-100.6000112.4L199 Y200 N201 M205 K206 C207 L389L199-F203 WeakPolarHBondContact O-CB 3.42Å; L199-F203 PolarHBondContact O-N 2.88Å; Y200-F203 WeakPolarHBondContact O-CB 3.38Å; Y200-F203 PolarHBondContact O-N 3.29Å; N201-F203 VanDerWaalsContact C-N 3.31Å; N201-F203 PolarHBondContact O-N 3.42Å; F203-M205 VanDerWaalsContact C-N 3.32Å; F203-M205 PolarHBondContact O-N 3.4Å; F203-K206 PolarHBondContact O-N 2.95Å; F203-K206 VanDerWaalsContact O-N 3.12Å; F203-C207 PolarHBondContact O-N 3.32Å; F203-C207 PolarHBondContact O-SG 3.1Å; F203-C207 VanDerWaalsContact O-SG 3.38Å; F203-L389 HydrophobicContact CE1-CD1 4.39Å
204I50.5Low43.4Very low70 Ų70117.8 Ų117.836%0.35958%0.577SS.*Hα-helixtrans-59.8-41.3177-67.2-66.7000111.5Y200 N201 K206 C207Y200-I204 HydrophobicContact CD1-CG1 4.25Å; Y200-I204 HydrophobicContact CE1-CD1 4.42Å; Y200-I204 HydrophobicContact CE1-CG1 4.08Å; Y200-I204 WeakPolarHBondContact O-CG1 3.45Å; Y200-I204 PolarHBondContact O-N 3.4Å; N201-I204 PolarHBondContact O-N 3.48Å; I204-K206 PolarHBondContact O-N 2.8Å; I204-C207 PolarHBondContact O-N 2.93Å
205M38Very low44.9Very low140 Ų140118.6 Ų118.669%0.6957%0.57SS**Hα-helixtrans-64.1-39.6175.1-175.3173.9166.100112.1N201 F203 R208N201-M205 PolarHBondContact O-N 3.26Å; N201-M205 VanDerWaalsContact O-N 3.08Å; F203-M205 VanDerWaalsContact C-N 3.32Å; F203-M205 PolarHBondContact O-N 3.4Å; M205-R208 VanDerWaalsContact O-CB 3.29Å; M205-R208 WeakPolarHBondContact O-CB 3.24Å; M205-R208 PolarHBondContact O-N 3.48Å
206K37.1Very low45.8Very low160 Ų160116.7 Ų116.770%0.69657%0.565SS**Hα-helixtrans-70.1-30.8-179.8-161.1168.7-173.1173.80113.2V202 F203 I204 R208V202-K206 WeakPolarHBondContact O-CB 3.22Å; V202-K206 PolarHBondContact O-N 3.24Å; F203-K206 PolarHBondContact O-N 2.95Å; F203-K206 VanDerWaalsContact O-N 3.12Å; I204-K206 PolarHBondContact O-N 2.8Å; K206-R208 PolarHBondContact O-N 2.86Å; K206-R208 VanDerWaalsContact O-N 3.14Å
207C41.9Very low46.6Very low46 Ų46115.1 Ų115.131%0.31156%0.56SS.*THydrogen-bonded Turntrans-63.9-11.4172.5-70.90000114.2F203 I204 R212F203-C207 PolarHBondContact O-N 3.32Å; F203-C207 PolarHBondContact O-SG 3.1Å; F203-C207 VanDerWaalsContact O-SG 3.38Å; I204-C207 PolarHBondContact O-N 2.93Å; C207-R212 PolarHBondContact SG-NH1 3.14Å
208R38.8Very low47.4Very low212 Ų212114 Ų11480%0.857%0.565SS**THydrogen-bonded Turntrans-87.1-17-171.2-157.5168.6-176.1161.5-0.3115M205 K206M205-R208 VanDerWaalsContact O-CB 3.29Å; M205-R208 WeakPolarHBondContact O-CB 3.24Å; M205-R208 PolarHBondContact O-N 3.48Å; K206-R208 PolarHBondContact O-N 2.86Å; K206-R208 VanDerWaalsContact O-N 3.14Å
209L34.3Very low48Very low143 Ų143110.7 Ų110.775%0.74956%0.558SS**SBendtrans-130.8-3.3-156.1-98.8168.8000118.6
210Q37.1Very low48.7Very low166 Ų166106.4 Ų106.478%0.77653%0.534SS*.SBendtrans-144.1147.6-177.4-101.6163.2-14.700113.6R212Q210-R212 PolarHBondContact O-N 3.43Å
211E43.7Very low48.6Very low188 Ų188107.4 Ų107.488%0.87956%0.555SS**  trans-63.4117.8169.5-65.4177.715700109.3L213E211-L213 PolarHBondContact O-N 3.4Å
212R53.3Low49.2Very low99 Ų99106.9 Ų106.937%0.37457%0.57SS.*  trans-85.578-166.7-167.3-179.9-176.4121.2-4.5110.8C207 Q210 L214 A342C207-R212 PolarHBondContact SG-NH1 3.14Å; Q210-R212 PolarHBondContact O-N 3.43Å; R212-L214 PolarHBondContact O-N 3.06Å; R212-A342 PolarHBondContact NH2-O 2.9Å
213L55Low49.9Very low157 Ų157103.2 Ų103.282%0.82255%0.547SS*.PPolyproline II helixtrans-47.1136.4168.6-64.4175.5000110.4E211E211-L213 PolarHBondContact O-N 3.4Å
214L57.8Low50.8Low56 Ų56102.1 Ų102.129%0.29355%0.549SS..PPolyproline II helixtrans-59.2141.8177.5-70-162.5000110.9R212 I238 L240 T310R212-L214 PolarHBondContact O-N 3.06Å; L214-I238 HydrophobicContact CD1-CG2 4.25Å; L214-L240 HydrophobicContact CD1-CD2 3.35Å; L214-L240 HydrophobicContact CG-CD2 3.8Å; L214-T310 HydrophobicContact CD2-CG2 3.73Å
215K68.4Low51.9Low98 Ų98101.1 Ų101.143%0.42656%0.556SS.*PPolyproline II helixtrans-56.5131.3166.2-60.8-179.5-171.3172.30108.4Y340 H341K215-Y340 HydrophobicContact CB-CD1 4.29Å; K215-Y340 HydrophobicContact CB-CE1 3.47Å; K215-Y340 VanDerWaalsContact CB-CE1 3.47Å; K215-Y340 HydrophobicContact CD-CD1 4.46Å; K215-Y340 HydrophobicContact CD-CD2 4.49Å; K215-Y340 HydrophobicContact CD-CE1 4.19Å; K215-Y340 HydrophobicContact CD-CE2 4.21Å; K215-Y340 VanDerWaalsContact CD-O 3.3Å; K215-Y340 WeakPolarHBondContact CD-O 3.48Å; K215-Y340 VanDerWaalsContact CE-O 3.25Å; K215-Y340 WeakPolarHBondContact CE-O 3.47Å; K215-Y340 HydrophobicContact CG-CE1 4.47Å; K215-Y340 PolarHBondContact NZ-O 3.27Å; K215-H341 PolarHBondContact O-CE1 3.46Å
216P59.3Low53.6Low86 Ų8699.8 Ų99.856%0.55855%0.548SS*.PPolyproline II helixtrans-67.2138.6-174.527.7-35.3000111.2S218 G219 Y340P216-S218 PolarHBondContact O-N 3.49Å; P216-G219 PolarHBondContact O-N 3.17Å; P216-Y340 PolarHBondContact O-OH 2.89Å; P216-Y340 VanDerWaalsContact O-OH 3.04Å
217L59.4Low55.4Low73 Ų7395.1 Ų95.138%0.38253%0.529SS..G310 helixtrans-58.8-18.6179.4-63.5174.8000113.5G219 F220 L337L217-G219 PolarHBondContact O-N 3.35Å; L217-F220 WeakPolarHBondContact O-CB 3.22Å; L217-F220 PolarHBondContact O-N 2.83Å; L217-L337 HydrophobicContact CD2-CD2 4.04Å
218S55.3Low57Low108 Ų108100 Ų10076%0.75554%0.542SS*.G310 helixtrans-66.2-19.7171.556.70000114.1P216P216-S218 PolarHBondContact O-N 3.49Å
219G52.1Low59.1Low43 Ų4396.6 Ų96.644%0.44353%0.534SS..G310 helixtrans-78.4-6.4170.300000113.7P216 L217 S221 Y340P216-G219 PolarHBondContact O-N 3.17Å; L217-G219 PolarHBondContact O-N 3.35Å; G219-S221 PolarHBondContact O-N 3.31Å; G219-Y340 WeakPolarHBondContact CA-OH 3.3Å
220F60Low61.3Low33 Ų3390.6 Ų90.615%0.14550%0.503CS..  trans-83.663.3-179.6-143.9-63.2000111.2L217 G222 I223 E336 L337 Y340L217-F220 WeakPolarHBondContact O-CB 3.22Å; L217-F220 PolarHBondContact O-N 2.83Å; F220-G222 PolarHBondContact O-N 2.97Å; F220-G222 VanDerWaalsContact O-N 3.1Å; F220-I223 HydrophobicContact CD1-CB 4Å; F220-I223 HydrophobicContact CD1-CD1 3.68Å; F220-I223 HydrophobicContact CD1-CG1 3.89Å; F220-I223 HydrophobicContact CE1-CB 4.31Å; F220-I223 HydrophobicContact CE1-CD1 3.31Å; F220-I223 HydrophobicContact CE1-CG1 3.67Å; F220-I223 HydrophobicContact CZ-CD1 3.94Å; F220-E336 HydrophobicContact CZ-CB 3.97Å; F220-L337 HydrophobicContact CD2-CD2 4.1Å; F220-L337 HydrophobicContact CE2-CD2 3.86Å; F220-L337 HydrophobicContact CE2-CG 4.47Å; F220-Y340 AromaticContact CD2-CD1 3.73Å; F220-Y340 HydrophobicContact CD2-CD1 3.73Å; F220-Y340 HydrophobicContact CD2-CD2 4.09Å; F220-Y340 HydrophobicContact CD2-CE1 4.08Å; F220-Y340 HydrophobicContact CD2-CE2 4.42Å; F220-Y340 AromaticContact CD2-CG 3.73Å; F220-Y340 HydrophobicContact CD2-CG 3.73Å; F220-Y340 HydrophobicContact CE2-CD1 4.01Å; F220-Y340 HydrophobicContact CE2-CD2 4.22Å; F220-Y340 AromaticContact CE2-CG 3.69Å; F220-Y340 HydrophobicContact CE2-CG 3.69Å
221S45.8Very low63.4Low118 Ų11883 Ų8383%0.82547%0.468SS*.THydrogen-bonded Turntrans-75.75.4-164-1660000116.2G219G219-S221 PolarHBondContact O-N 3.31Å
222G54.3Low65.1Low74 Ų7476.2 Ų76.276%0.76345%0.445SS*.THydrogen-bonded Turntrans-111-6.7-175.500000116.2F220F220-G222 PolarHBondContact O-N 2.97Å; F220-G222 VanDerWaalsContact O-N 3.1Å
223I58.3Low66.5Low20 Ų2075.8 Ų75.810%0.10345%0.449CS..  trans-93.1138-172.6-96.8179.6000111.6F220 M227 R228 V333F220-I223 HydrophobicContact CD1-CB 4Å; F220-I223 HydrophobicContact CD1-CD1 3.68Å; F220-I223 HydrophobicContact CD1-CG1 3.89Å; F220-I223 HydrophobicContact CE1-CB 4.31Å; F220-I223 HydrophobicContact CE1-CD1 3.31Å; F220-I223 HydrophobicContact CE1-CG1 3.67Å; F220-I223 HydrophobicContact CZ-CD1 3.94Å; I223-M227 HydrophobicContact CB-CG 4.45Å; I223-M227 HydrophobicContact CD1-CB 4.18Å; I223-M227 HydrophobicContact CG1-CB 4.19Å; I223-M227 HydrophobicContact CG1-CG 4.15Å; I223-M227 HydrophobicContact CG1-SD 4Å; I223-M227 VanDerWaalsContact CG2-C 3.41Å; I223-M227 HydrophobicContact CG2-CB 3.89Å; I223-M227 HydrophobicContact CG2-CG 4.01Å; I223-R228 HydrophobicContact CG2-CB 3.98Å; I223-V333 HydrophobicContact CD1-CG2 4.36Å
224S67.5Low67.8Low55 Ų5568.7 Ų68.739%0.38541%0.412SS..  trans-69.4163.9172.367.60000111.7E226 M227 R228S224-E226 VanDerWaalsContact C-N 3.3Å; S224-E226 PolarHBondContact O-N 3.44Å; S224-M227 PolarHBondContact O-N 3.48Å; S224-M227 VanDerWaalsContact O-N 3.12Å; S224-M227 WeakPolarHBondContact OG-CE 3.35Å; S224-M227 WeakPolarHBondContact OG-CG 3.49Å; S224-R228 PolarHBondContact O-N 3.33Å; S224-R228 VanDerWaalsContact O-N 3.15Å
225G72.6Confident68.8Low49 Ų4968 Ų6851%0.50541%0.411SS..Hα-helixtrans-49.5-48.9-179.600000113.2M227 R228 E229G225-M227 PolarHBondContact O-N 3.1Å; G225-R228 WeakPolarHBondContact O-CB 3.09Å; G225-R228 PolarHBondContact O-N 3.15Å; G225-R228 VanDerWaalsContact O-N 3.09Å; G225-E229 PolarHBondContact O-N 3.39Å
226E74.6Confident69.2Low111 Ų11171.3 Ų71.352%0.51943%0.428SS..Hα-helixtrans-51.9-52.5176.3-63.6178.9-153.600112.9S224 R228 E229 L230 K329S224-E226 VanDerWaalsContact C-N 3.3Å; S224-E226 PolarHBondContact O-N 3.44Å; E226-R228 PolarHBondContact O-N 2.94Å; E226-E229 WeakPolarHBondContact O-CB 3.31Å; E226-E229 PolarHBondContact O-N 2.87Å; E226-E229 VanDerWaalsContact O-N 3.1Å; E226-L230 WeakPolarHBondContact O-CG 3.44Å; E226-L230 PolarHBondContact O-N 3.42Å; E226-K329 IonicContact OE2-NZ 2.7Å; E226-K329 PolarHBondContact OE2-NZ 2.87Å
227M73.4Confident70Confident62 Ų6269.4 Ų69.431%0.30541%0.414SS..Hα-helixtrans-75.3-11.3-176.514.9-177-172.600113.2I223 S224 G225 A231 V333I223-M227 HydrophobicContact CB-CG 4.45Å; I223-M227 HydrophobicContact CD1-CB 4.18Å; I223-M227 HydrophobicContact CG1-CB 4.19Å; I223-M227 HydrophobicContact CG1-CG 4.15Å; I223-M227 HydrophobicContact CG1-SD 4Å; I223-M227 VanDerWaalsContact CG2-C 3.41Å; I223-M227 HydrophobicContact CG2-CB 3.89Å; I223-M227 HydrophobicContact CG2-CG 4.01Å; S224-M227 PolarHBondContact O-N 3.48Å; S224-M227 VanDerWaalsContact O-N 3.12Å; S224-M227 WeakPolarHBondContact OG-CE 3.35Å; S224-M227 WeakPolarHBondContact OG-CG 3.49Å; G225-M227 PolarHBondContact O-N 3.1Å; M227-A231 WeakPolarHBondContact O-CB 3.48Å; M227-A231 PolarHBondContact O-N 2.72Å; M227-V333 HydrophobicContact CB-CG2 3.56Å
228R76.9Confident70.9Confident150 Ų15066.4 Ų66.457%0.56640%0.398SS*.Hα-helixtrans-74-36.1166.4-172.9-180-66157.54111.5I223 S224 G225 E226 A231 A232I223-R228 HydrophobicContact CG2-CB 3.98Å; S224-R228 PolarHBondContact O-N 3.33Å; S224-R228 VanDerWaalsContact O-N 3.15Å; G225-R228 WeakPolarHBondContact O-CB 3.09Å; G225-R228 PolarHBondContact O-N 3.15Å; G225-R228 VanDerWaalsContact O-N 3.09Å; E226-R228 PolarHBondContact O-N 2.94Å; R228-A231 PolarHBondContact O-N 2.92Å; R228-A232 PolarHBondContact O-N 3.2Å
229E81.6Confident71.5Confident139 Ų13966 Ų6665%0.6538%0.381SS*.Hα-helixtrans-68.3-43.5173.4-63.8173-170.900110.7G225 E226 A231 A232 I233G225-E229 PolarHBondContact O-N 3.39Å; E226-E229 WeakPolarHBondContact O-CB 3.31Å; E226-E229 PolarHBondContact O-N 2.87Å; E226-E229 VanDerWaalsContact O-N 3.1Å; E229-A231 VanDerWaalsContact C-N 3.31Å; E229-A231 PolarHBondContact O-N 3.02Å; E229-A232 WeakPolarHBondContact O-CB 3.4Å; E229-A232 PolarHBondContact O-N 3.02Å; E229-A232 VanDerWaalsContact O-N 3.15Å; E229-I233 PolarHBondContact O-N 3.24Å; E229-I233 VanDerWaalsContact O-N 3.13Å
230L81.5Confident71.8Confident17 Ų1769.5 Ų69.59%0.08939%0.388CS..Hα-helixtrans-63.1-36.2172.6-59.3178.9000112.4E226 A232 I233 I234 D326 K329 L330 V333E226-L230 WeakPolarHBondContact O-CG 3.44Å; E226-L230 PolarHBondContact O-N 3.42Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-I233 HydrophobicContact CD2-CD1 4.32Å; L230-I233 PolarHBondContact O-N 3.35Å; L230-I234 PolarHBondContact O-N 3.34Å; L230-I234 VanDerWaalsContact O-N 3.07Å; L230-D326 HydrophobicContact CD2-CB 4.48Å; L230-K329 HydrophobicContact CD1-CB 3.41Å; L230-K329 VanDerWaalsContact CD1-CB 3.41Å; L230-K329 HydrophobicContact CD1-CD 3.75Å; L230-K329 HydrophobicContact CD1-CG 4.26Å; L230-L330 HydrophobicContact CB-CD2 3.97Å; L230-L330 HydrophobicContact CD2-CD2 4Å; L230-L330 HydrophobicContact CD2-CG 4.16Å; L230-L330 HydrophobicContact CG-CD2 4.46Å; L230-V333 HydrophobicContact CB-CG2 4.46Å
231A80.3Confident71.7Confident6 Ų675.4 Ų75.45%0.0542%0.416CS..Hα-helixtrans-66.2-34.5173.500000112.4M227 R228 E229 I234 S235 V333 L337M227-A231 WeakPolarHBondContact O-CB 3.48Å; M227-A231 PolarHBondContact O-N 2.72Å; R228-A231 PolarHBondContact O-N 2.92Å; E229-A231 VanDerWaalsContact C-N 3.31Å; E229-A231 PolarHBondContact O-N 3.02Å; A231-I234 PolarHBondContact O-N 2.71Å; A231-S235 WeakPolarHBondContact O-CB 3.42Å; A231-S235 PolarHBondContact O-N 2.9Å; A231-V333 HydrophobicContact CB-CG1 3.65Å; A231-L337 HydrophobicContact CB-CD1 4.03Å; A231-L337 HydrophobicContact CB-CD2 4.43Å
232A80.1Confident72.7Confident46 Ų4672.4 Ų72.438%0.3840%0.395SS..Hα-helixtrans-64.5-44.5174.300000111.2R228 E229 L230 I234 S235 E236R228-A232 PolarHBondContact O-N 3.2Å; E229-A232 WeakPolarHBondContact O-CB 3.4Å; E229-A232 PolarHBondContact O-N 3.02Å; E229-A232 VanDerWaalsContact O-N 3.15Å; L230-A232 VanDerWaalsContact C-N 3.33Å; A232-I234 PolarHBondContact O-N 3.27Å; A232-S235 PolarHBondContact O-N 2.91Å; A232-S235 VanDerWaalsContact O-N 3.14Å; A232-S235 PolarHBondContact O-OG 2.77Å; A232-E236 PolarHBondContact O-N 3.44Å
233I81.8Confident73.3Confident90 Ų9069.5 Ų69.546%0.46236%0.363SS..Hα-helixtrans-57.1-51.5174.2-63169.5000110.6E229 L230 S235 E236E229-I233 PolarHBondContact O-N 3.24Å; E229-I233 VanDerWaalsContact O-N 3.13Å; L230-I233 HydrophobicContact CD2-CD1 4.32Å; L230-I233 PolarHBondContact O-N 3.35Å; I233-S235 PolarHBondContact O-N 2.9Å; I233-E236 PolarHBondContact O-N 3.11Å
234I82.3Confident74.4Confident8 Ų875.1 Ų75.14%0.04139%0.393CS..Hα-helixtrans-64.5-28.5179.7-68.3158.4000111.7L230 A231 A232 E236 D237 F312 L330 V333 L334 L337L230-I234 PolarHBondContact O-N 3.34Å; L230-I234 VanDerWaalsContact O-N 3.07Å; A231-I234 PolarHBondContact O-N 2.71Å; A232-I234 PolarHBondContact O-N 3.27Å; I234-E236 PolarHBondContact O-N 2.84Å; I234-D237 PolarHBondContact O-N 3.26Å; I234-D237 VanDerWaalsContact O-N 3.12Å; I234-F312 HydrophobicContact CG2-CD1 4.49Å; I234-L330 HydrophobicContact CD1-CB 4.38Å; I234-L330 HydrophobicContact CD1-CD2 3.6Å; I234-L330 WeakPolarHBondContact CD1-O 3.31Å; I234-L330 HydrophobicContact CG1-CD2 3.83Å; I234-V333 HydrophobicContact CD1-CB 3.94Å; I234-V333 HydrophobicContact CD1-CG1 3.81Å; I234-L334 HydrophobicContact CD1-CB 4.13Å; I234-L334 HydrophobicContact CG2-CD1 3.96Å; I234-L337 HydrophobicContact CB-CD1 4.04Å; I234-L337 HydrophobicContact CG2-CD1 3.76Å
235S79.4Confident75.3Confident41 Ų4173.8 Ų73.829%0.28738%0.383SS..Hα-helixtrans-67.2-19.4177.877.70000114.3A231 A232 I233 I238A231-S235 WeakPolarHBondContact O-CB 3.42Å; A231-S235 PolarHBondContact O-N 2.9Å; A232-S235 PolarHBondContact O-N 2.91Å; A232-S235 VanDerWaalsContact O-N 3.14Å; A232-S235 PolarHBondContact O-OG 2.77Å; I233-S235 PolarHBondContact O-N 2.9Å; S235-I238 PolarHBondContact O-N 2.8Å
236E76.1Confident76.1Confident168 Ų16877.8 Ų77.879%0.78538%0.382SS*.Hα-helixtrans-71.3-29.9171.9-60.6-174.2171.400112A232 I233 I234 I238A232-E236 PolarHBondContact O-N 3.44Å; I233-E236 PolarHBondContact O-N 3.11Å; I234-E236 PolarHBondContact O-N 2.84Å; E236-I238 VanDerWaalsContact C-N 3.34Å
237D77.8Confident76.8Confident46 Ų4673 Ų7325%0.24636%0.359CS..THydrogen-bonded Turntrans-86.61.1176.5-76.5-33.4000113.6I234 N313 I314 S318I234-D237 PolarHBondContact O-N 3.26Å; I234-D237 VanDerWaalsContact O-N 3.12Å; D237-N313 PolarHBondContact O-N 3.16Å; D237-N313 VanDerWaalsContact O-N 3.09Å; D237-I314 HydrophobicContact CB-CD1 3.87Å; D237-S318 WeakPolarHBondContact OD2-CB 3.23Å; D237-S318 PolarHBondContact OD2-OG 3.48Å
238I77.7Confident77.5Confident11 Ų1176.3 Ų76.36%0.05638%0.375CS..EExtended strand (participates in β ladder)trans-84.9116.7173.9-58.1176.8000109.5L214 S235 E236 L240 F312L214-I238 HydrophobicContact CD1-CG2 4.25Å; S235-I238 PolarHBondContact O-N 2.8Å; E236-I238 VanDerWaalsContact C-N 3.34Å; I238-L240 HydrophobicContact CG2-CD2 4.36Å; I238-L240 PolarHBondContact O-N 2.82Å; I238-F312 HydrophobicContact CD1-CD1 4.06Å; I238-F312 HydrophobicContact CD1-CE1 3.45Å; I238-F312 VanDerWaalsContact CD1-CE1 3.45Å; I238-F312 HydrophobicContact CD1-CZ 3.95Å; I238-F312 HydrophobicContact CG1-CD1 3.66Å; I238-F312 HydrophobicContact CG1-CE1 3.61Å; I238-F312 HydrophobicContact CG1-CG 4.38Å; I238-F312 HydrophobicContact CG1-CZ 4.28Å
239Y68.5Low78Confident100 Ų10073.3 Ų73.339%0.39237%0.37SS..EExtended strand (participates in β ladder)trans-72.593.3169.7-81.8-100.7000109.7H241 F311 N313Y239-H241 PolarHBondContact O-N 3.33Å; Y239-H241 VanDerWaalsContact O-N 3.11Å; Y239-F311 HydrophobicContact CD2-CD1 4Å; Y239-F311 HydrophobicContact CG-CD1 4.2Å; Y239-F311 PolarHBondContact N-O 2.85Å; Y239-N313 HydrophobicContact CD2-CB 3.61Å; Y239-N313 HydrophobicContact CE2-CB 3.43Å; Y239-N313 VanDerWaalsContact CE2-CB 3.43Å
240L57.1Low78.3Confident115 Ų11567.1 Ų67.160%0.60234%0.341SS*.SBendtrans-56.3-23.3179.1-59.7-179.3000113.9L214 I238L214-L240 HydrophobicContact CD1-CD2 3.35Å; L214-L240 HydrophobicContact CG-CD2 3.8Å; I238-L240 HydrophobicContact CG2-CD2 4.36Å; I238-L240 PolarHBondContact O-N 2.82Å
241H59.1Low78.6Confident158 Ų15868.4 Ų68.473%0.73135%0.348SS*.SBendtrans-122.1135.9170.7-63.9-9.7000107.6Y239Y239-H241 PolarHBondContact O-N 3.33Å; Y239-H241 VanDerWaalsContact O-N 3.11Å
242S65.1Low79Confident54 Ų5468.5 Ų68.538%0.37835%0.349SS..  trans-54.9131.517554.30000109.6N244S242-N244 PolarHBondContact O-N 3.02Å
243P68.7Low79.3Confident14 Ų1468 Ų689%0.09134%0.339CS..  trans-57127.2-178.625.6-35.2000109.3V245 K301 A304 T305P243-V245 PolarHBondContact O-N 3.34Å; P243-K301 HydrophobicContact CB-CB 3.93Å; P243-K301 HydrophobicContact CB-CD 4.15Å; P243-K301 HydrophobicContact CB-CG 3.97Å; P243-K301 HydrophobicContact CG-CB 3.56Å; P243-K301 HydrophobicContact CG-CD 4.47Å; P243-K301 HydrophobicContact CG-CG 3.75Å; P243-A304 HydrophobicContact CG-CB 4.38Å; P243-T305 WeakPolarHBondContact O-CG2 3.41Å; P243-T305 PolarHBondContact O-OG1 3.42Å
244N80.4Confident79.6Confident137 Ų13768.6 Ų68.673%0.73334%0.34SS*.SBendtrans-77.768-173.1-170.343.4000111.9S242S242-N244 PolarHBondContact O-N 3.02Å
245V86.5Confident79.9Confident28 Ų2872.7 Ų72.717%0.1736%0.362CS..  trans-132.8133.2178.3-177.10000107.2P243 D249 M298 K301 A302 T305P243-V245 PolarHBondContact O-N 3.34Å; V245-D249 WeakPolarHBondContact CA-OD2 3.39Å; V245-D249 HydrophobicContact CG1-CB 4.22Å; V245-M298 HydrophobicContact CG1-CE 4.41Å; V245-K301 HydrophobicContact CB-CB 4.44Å; V245-K301 HydrophobicContact CG2-CB 4.48Å; V245-A302 HydrophobicContact CG1-CB 4.43Å; V245-A302 WeakPolarHBondContact O-CA 3.45Å; V245-T305 VanDerWaalsContact O-CB 3.23Å; V245-T305 WeakPolarHBondContact O-CB 3.3Å; V245-T305 WeakPolarHBondContact O-CG2 3.17Å; V245-T305 PolarHBondContact O-OG1 2.79Å
246R89.3Confident80.4Confident132 Ų13271 Ų7150%0.49835%0.351SS..  trans-117.7-176.9-176.5-53.7-174.5177.2-1570112E248 D249R246-E248 VanDerWaalsContact C-N 3.27Å; R246-E248 WeakPolarHBondContact CB-OE2 3.5Å; R246-E248 PolarHBondContact O-N 3.31Å; R246-D249 PolarHBondContact N-OD2 3.05Å
247W89.4Confident81.1Confident10 Ų1064.2 Ų64.24%0.03832%0.319CS..SBendtrans-69.3-26.4174-63.6115.5000113.3K257 V260 K261 V265 L299 A302 V303 E306W247-K257 HydrophobicContact CE3-CB 4.48Å; W247-K257 HydrophobicContact CE3-CG 4.02Å; W247-K257 HydrophobicContact CZ3-CB 4.49Å; W247-K257 HydrophobicContact CZ3-CG 4.2Å; W247-V260 HydrophobicContact CH2-CG1 4.11Å; W247-K261 VanDerWaalsContact CD1-CE 3.45Å; W247-K261 VanDerWaalsContact CG-CE 3.43Å; W247-K261 VanDerWaalsContact CG-NZ 3.34Å; W247-K261 HydrophobicContact CH2-CG 4.15Å; W247-K261 HydrophobicContact CZ2-CG 3.83Å; W247-V265 HydrophobicContact CZ2-CG2 3.87Å; W247-L299 HydrophobicContact CZ3-CD1 3.79Å; W247-L299 HydrophobicContact CZ3-CG 4.49Å; W247-A302 HydrophobicContact CE3-CB 4.33Å; W247-A302 HydrophobicContact CZ3-CB 4.42Å; W247-V303 HydrophobicContact CH2-CG2 3.69Å; W247-V303 HydrophobicContact CZ2-CG2 4.26Å; W247-E306 HydrophobicContact CG-CG 4.47Å; W247-E306 HydrophobicContact CZ2-CB 4.45Å; W247-E306 HydrophobicContact CZ2-CG 4.45Å; W247-E306 PolarHBondContact NE1-OE2 2.65Å
248E88Confident81.8Confident133 Ų13367.7 Ų67.762%0.62133%0.328SS*.SBendtrans-75.2-33.2-179.2-58.970.8-138.200111.8R246 I250R246-E248 VanDerWaalsContact C-N 3.27Å; R246-E248 WeakPolarHBondContact CB-OE2 3.5Å; R246-E248 PolarHBondContact O-N 3.31Å; E248-I250 PolarHBondContact O-N 3.39Å
249D86.9Confident82.4Confident87 Ų8768.2 Ų68.247%0.46533%0.331SS..SBendtrans-71.3-12.1179.9-54.1-40.4000113.2V245 R246V245-D249 WeakPolarHBondContact CA-OD2 3.39Å; V245-D249 HydrophobicContact CG1-CB 4.22Å; R246-D249 PolarHBondContact N-OD2 3.05Å
250I88.7Confident83.5Confident9 Ų963.5 Ų63.55%0.04631%0.313CS..SBendtrans-98.4114.8177.6-59.4175.9000108.1E248 L253 K257 M298 L299 A302E248-I250 PolarHBondContact O-N 3.39Å; I250-L253 HydrophobicContact CG2-CD1 4.43Å; I250-K257 WeakPolarHBondContact O-CE 3.47Å; I250-K257 PolarHBondContact O-NZ 2.92Å; I250-M298 HydrophobicContact CD1-CB 4.37Å; I250-M298 HydrophobicContact CG1-CB 4.38Å; I250-M298 HydrophobicContact CG1-CE 4.47Å; I250-L299 HydrophobicContact CD1-CB 4.42Å; I250-L299 HydrophobicContact CD1-CD1 3.94Å; I250-A302 HydrophobicContact CD1-CB 3.78Å
251I88.3Confident85.2Confident44 Ų4460.5 Ų60.523%0.22630%0.295CS..  trans-83.5129.7177.1-55.9175.3000109.9A426 M427 H430I251-A426 HydrophobicContact CG2-CB 3.56Å; I251-M427 HydrophobicContact CB-CE 4.11Å; I251-M427 HydrophobicContact CB-CG 3.97Å; I251-M427 HydrophobicContact CD1-CG 4.12Å; I251-M427 HydrophobicContact CG2-CE 4.27Å; I251-M427 HydrophobicContact CG2-CG 3.75Å; I251-M427 WeakPolarHBondContact O-CE 3.41Å; I251-H430 HydrophobicContact CD1-CB 3.64Å
252G87.3Confident86.6Confident7 Ų755.9 Ų55.97%0.07227%0.274CS..SBendtrans72.9-155.9-179.500000114.6E254 K257G252-E254 VanDerWaalsContact C-CD 3.43Å; G252-E254 WeakPolarHBondContact CA-OE1 3.26Å; G252-E254 VanDerWaalsContact CA-OE2 3.27Å; G252-E254 WeakPolarHBondContact CA-OE2 3.37Å; G252-K257 WeakPolarHBondContact O-CD 3.42Å; G252-K257 WeakPolarHBondContact O-CE 3.46Å; G252-K257 PolarHBondContact O-NZ 3.39Å
253L86.1Confident87.7Confident35 Ų3553.3 Ų53.318%0.18326%0.256CS..  trans62.835.1178-59.1173.8000114.3I250 D255 A256 K257 V416I250-L253 HydrophobicContact CG2-CD1 4.43Å; L253-D255 PolarHBondContact O-N 2.85Å; L253-A256 HydrophobicContact CB-CB 4.38Å; L253-A256 PolarHBondContact O-N 3.46Å; L253-K257 WeakPolarHBondContact O-CB 3.49Å; L253-K257 WeakPolarHBondContact O-CG 3.26Å; L253-K257 PolarHBondContact O-N 3.19Å; L253-V416 HydrophobicContact CD1-CG1 3.9Å; L253-V416 HydrophobicContact CD2-CG1 4Å
254E88.6Confident88.6Confident103 Ų10353 Ų5348%0.48125%0.254SS..Hα-helixtrans-54.3-47.1-174.5-74.255.4-124.900113.3G252 K257 R258G252-E254 VanDerWaalsContact C-CD 3.43Å; G252-E254 WeakPolarHBondContact CA-OE1 3.26Å; G252-E254 VanDerWaalsContact CA-OE2 3.27Å; G252-E254 WeakPolarHBondContact CA-OE2 3.37Å; E254-K257 PolarHBondContact O-N 3.45Å; E254-K257 IonicContact OE1-NZ 3.64Å; E254-R258 WeakPolarHBondContact O-CB 3.43Å; E254-R258 PolarHBondContact O-N 3.01Å
255D88.4Confident88.9Confident95 Ų9547.3 Ų47.351%0.50822%0.224SC..Hα-helixtrans-66-42.7177.7-69.7-66.6000112.3L253 R258 L259L253-D255 PolarHBondContact O-N 2.85Å; D255-R258 PolarHBondContact O-N 3.01Å; D255-R258 IonicContact OD1-CZ 3.67Å; D255-R258 IonicContact OD1-NH1 3.21Å; D255-R258 PolarHBondContact OD1-NH1 2.92Å; D255-R258 IonicContact OD1-NH2 3.79Å; D255-R258 PolarHBondContact OD1-NH2 3.47Å; D255-L259 WeakPolarHBondContact O-CB 3.47Å; D255-L259 VanDerWaalsContact O-CG 3.23Å; D255-L259 WeakPolarHBondContact O-CG 3.49Å; D255-L259 PolarHBondContact O-N 3.12Å
256A89.7Confident89.1Confident6 Ų650.2 Ų50.25%0.0523%0.233CC..Hα-helixtrans-65.9-42.7177.100000111.4L253 R258 L259 V260 L299 I414L253-A256 HydrophobicContact CB-CB 4.38Å; L253-A256 PolarHBondContact O-N 3.46Å; A256-R258 VanDerWaalsContact C-N 3.34Å; A256-R258 PolarHBondContact O-N 3.07Å; A256-L259 PolarHBondContact O-N 3.2Å; A256-V260 WeakPolarHBondContact O-CB 3.42Å; A256-V260 VanDerWaalsContact O-CG2 3.3Å; A256-V260 WeakPolarHBondContact O-CG2 3.45Å; A256-V260 PolarHBondContact O-N 3.05Å; A256-L299 HydrophobicContact CB-CD2 4.47Å; A256-I414 HydrophobicContact CB-CG2 3.83Å
257K91.2Very high89Confident25 Ų2544.4 Ų44.411%0.10921%0.212CC..Hα-helixtrans-56.7-45.6171.1-74.6168.6171.6167.50111.3W247 I250 G252 L253 E254 K261 L299W247-K257 HydrophobicContact CE3-CB 4.48Å; W247-K257 HydrophobicContact CE3-CG 4.02Å; W247-K257 HydrophobicContact CZ3-CB 4.49Å; W247-K257 HydrophobicContact CZ3-CG 4.2Å; I250-K257 WeakPolarHBondContact O-CE 3.47Å; I250-K257 PolarHBondContact O-NZ 2.92Å; G252-K257 WeakPolarHBondContact O-CD 3.42Å; G252-K257 WeakPolarHBondContact O-CE 3.46Å; G252-K257 PolarHBondContact O-NZ 3.39Å; L253-K257 WeakPolarHBondContact O-CB 3.49Å; L253-K257 WeakPolarHBondContact O-CG 3.26Å; L253-K257 PolarHBondContact O-N 3.19Å; E254-K257 PolarHBondContact O-N 3.45Å; E254-K257 IonicContact OE1-NZ 3.64Å; K257-K261 VanDerWaalsContact O-CB 3.3Å; K257-K261 WeakPolarHBondContact O-CB 3.41Å; K257-K261 WeakPolarHBondContact O-CG 3.46Å; K257-K261 PolarHBondContact O-N 3.11Å; K257-L299 HydrophobicContact CG-CD1 3.97Å
258R92.1Very high88.8Confident118 Ų11847.4 Ų47.445%0.44523%0.228SC..Hα-helixtrans-61.3-53.4177.1-174-176.465.9-115.2-8.3110.9E254 D255 A256 V260 K261 E262E254-R258 WeakPolarHBondContact O-CB 3.43Å; E254-R258 PolarHBondContact O-N 3.01Å; D255-R258 PolarHBondContact O-N 3.01Å; D255-R258 IonicContact OD1-CZ 3.67Å; D255-R258 IonicContact OD1-NH1 3.21Å; D255-R258 PolarHBondContact OD1-NH1 2.92Å; D255-R258 IonicContact OD1-NH2 3.79Å; D255-R258 PolarHBondContact OD1-NH2 3.47Å; A256-R258 VanDerWaalsContact C-N 3.34Å; A256-R258 PolarHBondContact O-N 3.07Å; R258-V260 VanDerWaalsContact C-N 3.29Å; R258-V260 PolarHBondContact O-N 3.3Å; R258-K261 PolarHBondContact O-N 2.78Å; R258-K261 VanDerWaalsContact O-N 3.14Å; R258-E262 WeakPolarHBondContact CG-OE1 3.43Å; R258-E262 IonicContact NE-OE1 3.58Å; R258-E262 VanDerWaalsContact O-CG 3.31Å; R258-E262 WeakPolarHBondContact O-CG 3.24Å; R258-E262 PolarHBondContact O-N 3.15Å
259L91.8Very high88.6Confident23 Ų2347.2 Ų47.212%0.1223%0.225CC..Hα-helixtrans-61.6-33.2-177.9-70.2169.8000113.1D255 A256 A263 K412 I414 V534D255-L259 WeakPolarHBondContact O-CB 3.47Å; D255-L259 VanDerWaalsContact O-CG 3.23Å; D255-L259 WeakPolarHBondContact O-CG 3.49Å; D255-L259 PolarHBondContact O-N 3.12Å; A256-L259 PolarHBondContact O-N 3.2Å; L259-A263 WeakPolarHBondContact O-CB 3.2Å; L259-A263 PolarHBondContact O-N 3.08Å; L259-K412 PolarHBondContact O-NZ 3.23Å; L259-I414 HydrophobicContact CB-CD1 3.5Å; L259-I414 VanDerWaalsContact CB-CD1 3.5Å; L259-I414 HydrophobicContact CB-CG1 4.11Å; L259-I414 HydrophobicContact CD1-CG1 4.35Å; L259-I414 HydrophobicContact CD1-CG2 4.29Å; L259-V534 HydrophobicContact CD2-CB 4.2Å; L259-V534 HydrophobicContact CD2-CG1 3.59Å
260V91.3Very high88.7Confident1 Ų148.2 Ų48.21%0.00622%0.223CC..Hα-helixtrans-76.8-40.4173.5171.70000111.9W247 A256 R258 E262 A263 V264 L284 L286 L299 V303 I414W247-V260 HydrophobicContact CH2-CG1 4.11Å; A256-V260 WeakPolarHBondContact O-CB 3.42Å; A256-V260 VanDerWaalsContact O-CG2 3.3Å; A256-V260 WeakPolarHBondContact O-CG2 3.45Å; A256-V260 PolarHBondContact O-N 3.05Å; R258-V260 VanDerWaalsContact C-N 3.29Å; R258-V260 PolarHBondContact O-N 3.3Å; V260-E262 VanDerWaalsContact C-N 3.33Å; V260-E262 PolarHBondContact O-N 3.42Å; V260-A263 PolarHBondContact O-N 2.92Å; V260-A263 VanDerWaalsContact O-N 3.09Å; V260-V264 HydrophobicContact CG1-CG2 4.37Å; V260-V264 PolarHBondContact O-N 2.71Å; V260-L284 HydrophobicContact CG2-CD1 4.49Å; V260-L284 HydrophobicContact CG2-CD2 4.48Å; V260-L286 HydrophobicContact CG2-CD2 4.05Å; V260-L299 HydrophobicContact CG2-CD2 3.94Å; V260-V303 HydrophobicContact CG1-CG2 3.28Å; V260-I414 HydrophobicContact CG2-CD1 3.57Å
261K91.3Very high88.5Confident52 Ų5249 Ų4923%0.22623%0.229CC..Iπ-helixtrans-59.2-43.7174.3-79.2174.2178.6-173.60111.8W247 K257 R258 A263 V265 Y266W247-K261 VanDerWaalsContact CD1-CE 3.45Å; W247-K261 VanDerWaalsContact CG-CE 3.43Å; W247-K261 VanDerWaalsContact CG-NZ 3.34Å; W247-K261 HydrophobicContact CH2-CG 4.15Å; W247-K261 HydrophobicContact CZ2-CG 3.83Å; K257-K261 VanDerWaalsContact O-CB 3.3Å; K257-K261 WeakPolarHBondContact O-CB 3.41Å; K257-K261 WeakPolarHBondContact O-CG 3.46Å; K257-K261 PolarHBondContact O-N 3.11Å; R258-K261 PolarHBondContact O-N 2.78Å; R258-K261 VanDerWaalsContact O-N 3.14Å; K261-A263 VanDerWaalsContact C-N 3.31Å; K261-A263 PolarHBondContact O-N 3.37Å; K261-V265 HydrophobicContact CB-CB 4.46Å; K261-V265 HydrophobicContact CB-CG2 4.48Å; K261-V265 HydrophobicContact CG-CB 4.48Å; K261-V265 HydrophobicContact CG-CG2 4.14Å; K261-V265 WeakPolarHBondContact O-CB 3.44Å; K261-V265 PolarHBondContact O-N 3.17Å; K261-Y266 HydrophobicContact CB-CD1 4.49Å; K261-Y266 HydrophobicContact CB-CE1 3.94Å; K261-Y266 PolarHBondContact O-N 3.13Å
262E90.4Very high88.5Confident60 Ų6054.7 Ų54.728%0.2825%0.254SS..Iπ-helixtrans-58-39.1171.6-70.6163-170.800113.4R258 V260 Y266 P267 K412R258-E262 WeakPolarHBondContact CG-OE1 3.43Å; R258-E262 IonicContact NE-OE1 3.58Å; R258-E262 VanDerWaalsContact O-CG 3.31Å; R258-E262 WeakPolarHBondContact O-CG 3.24Å; R258-E262 PolarHBondContact O-N 3.15Å; V260-E262 VanDerWaalsContact C-N 3.33Å; V260-E262 PolarHBondContact O-N 3.42Å; E262-Y266 HydrophobicContact CB-CD2 4.43Å; E262-Y266 HydrophobicContact CG-CD2 4.24Å; E262-Y266 HydrophobicContact CG-CE2 4.1Å; E262-P267 WeakPolarHBondContact O-CD 3.33Å; E262-K412 IonicContact OE2-NZ 3.74Å; E262-K412 PolarHBondContact OE2-NZ 2.83Å
263A87.9Confident88.5Confident1 Ų159.8 Ų59.81%0.00828%0.279CS..Iπ-helixtrans-81.9-32.7-172.200000113.8L259 V260 K261 L284 K412L259-A263 WeakPolarHBondContact O-CB 3.2Å; L259-A263 PolarHBondContact O-N 3.08Å; V260-A263 PolarHBondContact O-N 2.92Å; V260-A263 VanDerWaalsContact O-N 3.09Å; K261-A263 VanDerWaalsContact C-N 3.31Å; K261-A263 PolarHBondContact O-N 3.37Å; A263-L284 HydrophobicContact CB-CD1 3.57Å; A263-K412 HydrophobicContact CB-CD 3.97Å
264V86.9Confident88.4Confident7 Ų760.7 Ų60.74%0.04228%0.282CS..Iπ-helixtrans-123.8-47.7-170.1-159.60000112.7V260 I268 V303 F391V260-V264 HydrophobicContact CG1-CG2 4.37Å; V260-V264 PolarHBondContact O-N 2.71Å; V264-I268 HydrophobicContact CG1-CD1 4.41Å; V264-I268 WeakPolarHBondContact O-CD1 3.12Å; V264-I268 WeakPolarHBondContact O-CG1 3.46Å; V264-V303 HydrophobicContact CB-CG1 4.17Å; V264-V303 HydrophobicContact CG1-CG1 3.81Å; V264-V303 HydrophobicContact CG2-CG1 4.39Å; V264-F391 HydrophobicContact CB-CE1 4.43Å; V264-F391 HydrophobicContact CG1-CD1 3.94Å; V264-F391 HydrophobicContact CG1-CE1 4.1Å; V264-F391 HydrophobicContact CG1-CG 4.27Å; V264-F391 HydrophobicContact CG2-CD1 4.1Å; V264-F391 HydrophobicContact CG2-CE1 3.41Å; V264-F391 VanDerWaalsContact CG2-CE1 3.41Å; V264-F391 HydrophobicContact CG2-CE2 3.98Å; V264-F391 HydrophobicContact CG2-CZ 3.33Å
265V87.8Confident88.2Confident18 Ų1860.4 Ų60.411%0.10929%0.287CS..Iπ-helixtrans-76.5-43.6-172.5-174.60000111.3W247 K261 I268 K269W247-V265 HydrophobicContact CZ2-CG2 3.87Å; K261-V265 HydrophobicContact CB-CB 4.46Å; K261-V265 HydrophobicContact CB-CG2 4.48Å; K261-V265 HydrophobicContact CG-CB 4.48Å; K261-V265 HydrophobicContact CG-CG2 4.14Å; K261-V265 WeakPolarHBondContact O-CB 3.44Å; K261-V265 PolarHBondContact O-N 3.17Å; V265-I268 PolarHBondContact O-N 2.88Å; V265-K269 VanDerWaalsContact O-CB 3.22Å; V265-K269 WeakPolarHBondContact O-CB 3.32Å; V265-K269 PolarHBondContact O-N 3.07Å
266Y89.8Confident88Confident89 Ų8959.1 Ų59.135%0.34930%0.296SS..Hα-helixtrans-69.3-38.6-176.2-63.9-6.9000113.7K261 E262 I268 K269 Y270 F274K261-Y266 HydrophobicContact CB-CD1 4.49Å; K261-Y266 HydrophobicContact CB-CE1 3.94Å; K261-Y266 PolarHBondContact O-N 3.13Å; E262-Y266 HydrophobicContact CB-CD2 4.43Å; E262-Y266 HydrophobicContact CG-CD2 4.24Å; E262-Y266 HydrophobicContact CG-CE2 4.1Å; Y266-I268 PolarHBondContact O-N 3.1Å; Y266-K269 PolarHBondContact O-N 3.26Å; Y266-Y270 PolarHBondContact O-N 3.15Å; Y266-F274 WeakPolarHBondContact O-CE2 3.39Å
267P87.1Confident87.7Confident10 Ų1067.1 Ų67.17%0.06534%0.336CS..Hα-helixtrans-61.8-39.6171.4-22.331.5000113.6E262 P271 F274 P280E262-P267 WeakPolarHBondContact O-CD 3.33Å; P267-P271 VanDerWaalsContact O-CA 3.24Å; P267-P271 WeakPolarHBondContact O-CA 3.12Å; P267-P271 WeakPolarHBondContact O-CB 3.27Å; P267-P271 WeakPolarHBondContact O-CD 3.02Å; P267-F274 HydrophobicContact CB-CB 4.24Å; P267-F274 HydrophobicContact CB-CD1 4.11Å; P267-F274 HydrophobicContact CB-CD2 4.15Å; P267-F274 HydrophobicContact CB-CG 3.91Å; P267-F274 HydrophobicContact CG-CD1 3.73Å; P267-F274 HydrophobicContact CG-CD2 4.33Å; P267-F274 HydrophobicContact CG-CE1 3.76Å; P267-F274 HydrophobicContact CG-CE2 4.35Å; P267-F274 HydrophobicContact CG-CG 4.02Å; P267-F274 HydrophobicContact CG-CZ 4.07Å; P267-P280 HydrophobicContact CB-CB 3.77Å; P267-P280 HydrophobicContact CG-CB 4.03Å
268I84.7Confident87.3Confident72 Ų7271.3 Ų71.337%0.36936%0.359SS..Hα-helixtrans-70.3-35.2177.6-66.2172.8000111.2V264 V265 Y266 C307 T309V264-I268 HydrophobicContact CG1-CD1 4.41Å; V264-I268 WeakPolarHBondContact O-CD1 3.12Å; V264-I268 WeakPolarHBondContact O-CG1 3.46Å; V265-I268 PolarHBondContact O-N 2.88Å; Y266-I268 PolarHBondContact O-N 3.1Å; I268-C307 HydrophobicContact CD1-CB 3.83Å; I268-T309 HydrophobicContact CD1-CG2 4.38Å
269K85.3Confident87Confident130 Ų13068.9 Ų68.957%0.56536%0.361SS*.Hα-helixtrans-83-33.3-177.8-168.9177.5179.4-176.80114V265 Y266 P271V265-K269 VanDerWaalsContact O-CB 3.22Å; V265-K269 WeakPolarHBondContact O-CB 3.32Å; V265-K269 PolarHBondContact O-N 3.07Å; Y266-K269 PolarHBondContact O-N 3.26Å; K269-P271 VanDerWaalsContact C-CD 3.47Å
270Y87.8Confident86.7Confident108 Ų10870.2 Ų70.242%0.42437%0.371SS..  trans-133.251-174.3-50.1-58.2000112.7Y266 Q272 L273 F274Y266-Y270 PolarHBondContact O-N 3.15Å; Y270-Q272 PolarHBondContact O-N 3.2Å; Y270-L273 PolarHBondContact O-N 3.1Å; Y270-F274 WeakPolarHBondContact O-CD2 3.46Å
271P85.5Confident86.6Confident25 Ų2575 Ų7516%0.16239%0.389CS..G310 helixtrans-57.6-24-169.921.4-33.5000114.5Y200 P267 K269 L273 F274Y200-P271 HydrophobicContact CE1-CB 3.96Å; Y200-P271 HydrophobicContact CE1-CG 3.69Å; Y200-P271 WeakPolarHBondContact OH-CB 3.31Å; P267-P271 VanDerWaalsContact O-CA 3.24Å; P267-P271 WeakPolarHBondContact O-CA 3.12Å; P267-P271 WeakPolarHBondContact O-CB 3.27Å; P267-P271 WeakPolarHBondContact O-CD 3.02Å; K269-P271 VanDerWaalsContact C-CD 3.47Å; P271-L273 PolarHBondContact O-N 2.8Å; P271-L273 VanDerWaalsContact O-N 3.15Å; P271-F274 PolarHBondContact O-N 3.5Å
272Q87.7Confident86.5Confident164 Ų16475 Ų7577%0.76639%0.388SS*.G310 helixtrans-59.8-20.4174.9-57.1-173.888.500114Y270Y270-Q272 PolarHBondContact O-N 3.2Å
273L87.4Confident86.5Confident114 Ų11472.1 Ų72.160%0.59738%0.376SS*.G310 helixtrans-91.2-16175.6-58.9177.5000113.2Y270 P271Y270-L273 PolarHBondContact O-N 3.1Å; P271-L273 PolarHBondContact O-N 2.8Å; P271-L273 VanDerWaalsContact O-N 3.15Å
274F84.8Confident86.8Confident53 Ų5372.1 Ų72.123%0.23238%0.375CS..  trans-110.162.1-167.9-70.5-90.8000111.4Y266 P267 Y270 P271 L278Y266-F274 WeakPolarHBondContact O-CE2 3.39Å; P267-F274 HydrophobicContact CB-CB 4.24Å; P267-F274 HydrophobicContact CB-CD1 4.11Å; P267-F274 HydrophobicContact CB-CD2 4.15Å; P267-F274 HydrophobicContact CB-CG 3.91Å; P267-F274 HydrophobicContact CG-CD1 3.73Å; P267-F274 HydrophobicContact CG-CD2 4.33Å; P267-F274 HydrophobicContact CG-CE1 3.76Å; P267-F274 HydrophobicContact CG-CE2 4.35Å; P267-F274 HydrophobicContact CG-CG 4.02Å; P267-F274 HydrophobicContact CG-CZ 4.07Å; Y270-F274 WeakPolarHBondContact O-CD2 3.46Å; P271-F274 PolarHBondContact O-N 3.5Å; F274-L278 CarbonylContact C-O 3.55Å; F274-L278 WeakPolarHBondContact CA-O 3.43Å; F274-L278 WeakPolarHBondContact CB-O 3.3Å; F274-L278 VanDerWaalsContact CD1-O 3.3Å; F274-L278 WeakPolarHBondContact CD1-O 3.39Å
275T82.6Confident87.1Confident98 Ų9871.8 Ų71.860%0.60137%0.373SS*.  trans-120.4150.3-175.560.80000112.3I277 L278T275-I277 PolarHBondContact O-N 3.49Å; T275-L278 PolarHBondContact O-N 2.92Å
276G84.5Confident87.4Confident67 Ų6771 Ų7169%0.69137%0.368SS*.G310 helixtrans61.6-118.8179.300000112.4L278 S279G276-L278 PolarHBondContact O-N 3.3Å; G276-S279 WeakPolarHBondContact O-CB 3.49Å; G276-S279 PolarHBondContact O-N 3Å; G276-S279 PolarHBondContact O-OG 3.45Å
277I83.7Confident87.4Confident175 Ų17566.8 Ų66.890%0.89735%0.352SS*.G310 helixtrans-65.3-25.6177.7-59.5173.8000111.6T275 S279T275-I277 PolarHBondContact O-N 3.49Å; I277-S279 PolarHBondContact O-N 3.09Å
278L83.9Confident87.5Confident112 Ų11266.3 Ų66.359%0.58635%0.349SS*.G310 helixtrans-88.224.1176.3-59.5178.5000112.4F274 T275 G276F274-L278 CarbonylContact C-O 3.55Å; F274-L278 WeakPolarHBondContact CA-O 3.43Å; F274-L278 WeakPolarHBondContact CB-O 3.3Å; F274-L278 VanDerWaalsContact CD1-O 3.3Å; F274-L278 WeakPolarHBondContact CD1-O 3.39Å; T275-L278 PolarHBondContact O-N 2.92Å; G276-L278 PolarHBondContact O-N 3.3Å
279S84.4Confident87.5Confident68 Ų6863 Ų6348%0.47633%0.332SS..PPolyproline II helixtrans-57149.6174.955.20000111.9G276 I277 W281G276-S279 WeakPolarHBondContact O-CB 3.49Å; G276-S279 PolarHBondContact O-N 3Å; G276-S279 PolarHBondContact O-OG 3.45Å; I277-S279 PolarHBondContact O-N 3.09Å; S279-W281 PolarHBondContact O-N 3.33Å
280P86.6Confident86.9Confident51 Ų5159.8 Ų59.833%0.33132%0.324SS..PPolyproline II helixtrans-60.7133.8175.922.6-32.3000111.6P267P267-P280 HydrophobicContact CB-CB 3.77Å; P267-P280 HydrophobicContact CG-CB 4.03Å
281W88.1Confident85.7Confident101 Ų10155.6 Ų55.638%0.38331%0.309SS..PPolyproline II helixtrans-55.2135.3167.4-5394.6000110S279 F391 E411 K412S279-W281 PolarHBondContact O-N 3.33Å; W281-F391 VanDerWaalsContact O-CD2 3.27Å; W281-F391 WeakPolarHBondContact O-CD2 3.12Å; W281-F391 WeakPolarHBondContact O-CE2 3.3Å; W281-E411 WeakPolarHBondContact CA-OE2 3.43Å; W281-E411 HydrophobicContact CE3-CB 3.49Å; W281-E411 VanDerWaalsContact CE3-CB 3.49Å; W281-E411 HydrophobicContact CE3-CG 4.31Å; W281-E411 HydrophobicContact CZ3-CB 3.84Å; W281-K412 HydrophobicContact CD2-CB 4.47Å
282K89Confident84.3Confident51 Ų5163.2 Ų63.222%0.22234%0.34CS..SBendtrans-104.5-20.7-176.6-72172.6175.7-177.60113L383 A384 S386 V392 E411K282-L383 WeakPolarHBondContact CD-O 3.19Å; K282-L383 WeakPolarHBondContact CE-O 3.4Å; K282-L383 PolarHBondContact NZ-O 3.45Å; K282-A384 PolarHBondContact NZ-O 2.66Å; K282-S386 PolarHBondContact NZ-O 3.04Å; K282-V392 PolarHBondContact O-N 3.39Å; K282-E411 PolarHBondContact N-OE2 2.93Å
283G92.1Very high82.8Confident1 Ų156.8 Ų56.81%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-128.2129.2173.800000112.8V392 E411 K412G283-V392 WeakPolarHBondContact CA-O 3.38Å; G283-E411 PolarHBondContact N-OE2 3.3Å; G283-E411 PolarHBondContact O-N 3.39Å; G283-K412 PolarHBondContact O-N 3.47Å
284L93.5Very high81.4Confident0 Ų052 Ų520%029%0.293CS..EExtended strand (participates in β ladder)trans-131.1135175.7-168.7150.8000111.4V260 A263 L286 F391 V392 L393 A394 K412 I414V260-L284 HydrophobicContact CG2-CD1 4.49Å; V260-L284 HydrophobicContact CG2-CD2 4.48Å; A263-L284 HydrophobicContact CB-CD1 3.57Å; L284-L286 HydrophobicContact CD2-CD2 3.65Å; L284-L286 HydrophobicContact CD2-CG 3.98Å; L284-F391 HydrophobicContact CB-CE1 4.49Å; L284-F391 HydrophobicContact CB-CE2 4.1Å; L284-F391 HydrophobicContact CB-CZ 3.51Å; L284-F391 HydrophobicContact CD1-CZ 4.26Å; L284-F391 HydrophobicContact CG-CZ 4.48Å; L284-V392 PolarHBondContact N-O 3.07Å; L284-L393 HydrophobicContact CB-CD1 4.06Å; L284-L393 HydrophobicContact CD2-CD1 3.45Å; L284-L393 VanDerWaalsContact CD2-CD1 3.45Å; L284-L393 HydrophobicContact CG-CD1 4.3Å; L284-A394 PolarHBondContact O-N 3.39Å; L284-K412 VanDerWaalsContact CA-O 3.32Å; L284-K412 WeakPolarHBondContact CA-O 3.21Å; L284-K412 HydrophobicContact CD1-CB 4.21Å; L284-K412 HydrophobicContact CD1-CD 4.31Å; L284-K412 HydrophobicContact CD1-CG 4.48Å; L284-K412 HydrophobicContact CG-CB 4.27Å; L284-I414 HydrophobicContact CD1-CD1 3.9Å; L284-I414 HydrophobicContact CD2-CD1 4.04Å; L284-I414 HydrophobicContact CD2-CG1 4.49Å; L284-I414 HydrophobicContact CG-CD1 4.33Å
285L93.6Very high81Confident0 Ų050 Ų500%029%0.288CS..EExtended strand (participates in β ladder)trans-106.8119.5174.6178.161.7000111.3Y287 A394 L402 L407 L410 K412 R413 I414 W527L285-Y287 HydrophobicContact CD2-CD1 4.41Å; L285-Y287 HydrophobicContact CG-CD1 4.32Å; L285-A394 HydrophobicContact CD1-CB 3.87Å; L285-L402 HydrophobicContact CD1-CD1 4.12Å; L285-L402 HydrophobicContact CD2-CD1 3.72Å; L285-L407 HydrophobicContact CD2-CD2 3.9Å; L285-L410 HydrophobicContact CB-CB 4.01Å; L285-L410 HydrophobicContact CB-CD1 4.17Å; L285-L410 HydrophobicContact CD1-CD1 4.3Å; L285-K412 PolarHBondContact N-O 3.46Å; L285-R413 HydrophobicContact CB-CB 4.45Å; L285-R413 HydrophobicContact CB-CG 4.31Å; L285-R413 WeakPolarHBondContact O-CA 3.01Å; L285-I414 PolarHBondContact O-N 3.09Å; L285-W527 HydrophobicContact CD2-CH2 4.36Å
286L92.7Very high81.2Confident1 Ų145.7 Ų45.71%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-89.4118.2161.7-58.6177.9000108.4V260 L284 L299 L393 A394 A395 S396 I414 V416V260-L286 HydrophobicContact CG2-CD2 4.05Å; L284-L286 HydrophobicContact CD2-CD2 3.65Å; L284-L286 HydrophobicContact CD2-CG 3.98Å; L286-L299 HydrophobicContact CD1-CB 4.4Å; L286-L299 HydrophobicContact CD1-CD2 4.07Å; L286-L299 HydrophobicContact CD2-CD2 3.9Å; L286-L393 HydrophobicContact CD1-CD1 4.05Å; L286-L393 HydrophobicContact CD1-CD2 4.4Å; L286-L393 HydrophobicContact CD1-CG 4.4Å; L286-L393 HydrophobicContact CG-CD1 3.93Å; L286-A394 PolarHBondContact N-O 2.91Å; L286-A395 WeakPolarHBondContact O-CA 3.32Å; L286-S396 PolarHBondContact O-N 3.35Å; L286-I414 HydrophobicContact CD2-CB 4.23Å; L286-V416 HydrophobicContact CB-CG2 4.21Å; L286-V416 HydrophobicContact CD2-CG2 4.1Å
287Y91.3Very high81.3Confident1 Ų144.7 Ų44.70%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-129.5151.9177.470.1-84.3000111.9L285 S396 P399 R413 I414 L415 V416 Y524 W527 E528L285-Y287 HydrophobicContact CD2-CD1 4.41Å; L285-Y287 HydrophobicContact CG-CD1 4.32Å; Y287-S396 WeakPolarHBondContact CA-O 3.04Å; Y287-P399 HydrophobicContact CD2-CB 4.25Å; Y287-P399 HydrophobicContact CD2-CG 3.88Å; Y287-P399 HydrophobicContact CG-CB 4.23Å; Y287-P399 HydrophobicContact CG-CG 4.3Å; Y287-R413 HydrophobicContact CD1-CB 4.39Å; Y287-R413 HydrophobicContact CE1-CB 3.98Å; Y287-I414 VanDerWaalsContact CD1-O 3.26Å; Y287-I414 WeakPolarHBondContact CD1-O 3.24Å; Y287-I414 PolarHBondContact N-O 3Å; Y287-L415 HydrophobicContact CD2-CD1 4.02Å; Y287-L415 HydrophobicContact CE1-CB 4.33Å; Y287-L415 HydrophobicContact CE2-CB 3.92Å; Y287-L415 HydrophobicContact CE2-CD1 3.8Å; Y287-L415 HydrophobicContact CE2-CG 4.34Å; Y287-L415 CarbonylContact O-C 3.54Å; Y287-L415 WeakPolarHBondContact O-CA 3.43Å; Y287-V416 PolarHBondContact O-N 3.29Å; Y287-Y524 HydrophobicContact CD2-CD1 4.29Å; Y287-W527 HydrophobicContact CD1-CZ3 4.02Å; Y287-W527 HydrophobicContact CD2-CE3 4.1Å; Y287-W527 HydrophobicContact CD2-CZ3 4.07Å; Y287-W527 HydrophobicContact CE1-CE3 4.38Å; Y287-W527 AromaticContact CE1-CZ3 3.66Å; Y287-W527 HydrophobicContact CE1-CZ3 3.66Å; Y287-W527 AromaticContact CE2-CE3 3.58Å; Y287-W527 HydrophobicContact CE2-CE3 3.58Å; Y287-W527 AromaticContact CE2-CZ3 3.7Å; Y287-W527 HydrophobicContact CE2-CZ3 3.7Å; Y287-W527 HydrophobicContact CG-CZ3 4.21Å; Y287-W527 AromaticContact CZ-CE3 3.74Å; Y287-W527 AromaticContact CZ-CZ3 3.48Å; Y287-W527 VanDerWaalsContact CZ-CZ3 3.48Å; Y287-E528 WeakPolarHBondContact OH-CB 3.3Å; Y287-E528 WeakPolarHBondContact OH-CG 3.25Å
288G89.1Confident81.5Confident0 Ų040.5 Ų40.50%022%0.219CC..  trans160.7-179.4-179.400000112.1S396 N397 Y524G288-S396 PolarHBondContact N-O 3.05Å; G288-N397 WeakPolarHBondContact O-CA 3.2Å; G288-Y524 PolarHBondContact O-OH 2.8Å
289P84.8Confident81.7Confident2 Ų235.2 Ų35.21%0.01319%0.191CC..  trans-51150.6-174.811.5-24.3000114.7D291 T294 K296 L418 T517 Y524P289-D291 PolarHBondContact O-N 2.81Å; P289-D291 VanDerWaalsContact O-N 3.08Å; P289-T294 HydrophobicContact CB-CG2 4.43Å; P289-T294 HydrophobicContact CG-CG2 4Å; P289-T294 PolarHBondContact O-OG1 3.3Å; P289-K296 PolarHBondContact O-NZ 2.89Å; P289-L418 HydrophobicContact CG-CD2 4.16Å; P289-T517 HydrophobicContact CB-CG2 3.59Å; P289-T517 HydrophobicContact CG-CG2 4.4Å; P289-Y524 WeakPolarHBondContact CA-OH 3.46Å; P289-Y524 HydrophobicContact CB-CE2 4.03Å; P289-Y524 HydrophobicContact CG-CE2 4.45Å
290P72.9Confident81.9Confident63 Ų6332 Ų3241%0.40917%0.169SC..  trans-71.8-0.5-167.829.4-36.9000115.6K292 N397 L520P290-K292 PolarHBondContact O-N 3.05Å; P290-N397 WeakPolarHBondContact CA-OD1 3.24Å; P290-N397 HydrophobicContact CB-CB 3.95Å; P290-L520 HydrophobicContact CG-CD1 4.3Å
291D61.3Low81.9Confident20 Ų2031.9 Ų31.911%0.10716%0.163CC..  trans-66.7134.3-168.9-28.5-60.9000111.4P289 G293 T294 S460 C462 T517P289-D291 PolarHBondContact O-N 2.81Å; P289-D291 VanDerWaalsContact O-N 3.08Å; D291-G293 PolarHBondContact O-N 3.23Å; D291-T294 HydrophobicContact CB-CG2 4.12Å; D291-T294 PolarHBondContact O-N 3.26Å; D291-T294 VanDerWaalsContact O-N 3.08Å; D291-T294 PolarHBondContact O-OG1 3.13Å; D291-T294 VanDerWaalsContact OD2-CG2 3.31Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.37Å; D291-S460 VanDerWaalsContact CG-CB 3.45Å; D291-S460 WeakPolarHBondContact OD2-CB 3.49Å; D291-C462 HydrophobicContact CB-CB 4.1Å; D291-T517 WeakPolarHBondContact OD1-CG2 3.48Å; D291-T517 VanDerWaalsContact OD2-CG2 3.3Å; D291-T517 WeakPolarHBondContact OD2-CG2 3.22Å
292K56.3Low82Confident185 Ų18527.1 Ų27.180%0.80415%0.145SC*.THydrogen-bonded Turntrans-70.742.2175.8-62.4-174.6175.3-173.20112.9P290 C462P290-K292 PolarHBondContact O-N 3.05Å; K292-C462 PolarHBondContact O-SG 3.42Å; K292-C462 VanDerWaalsContact O-SG 3.33Å
293G56.5Low81.9Confident30 Ų3024.7 Ų24.731%0.30914%0.135SC..THydrogen-bonded Turntrans-167.5-2.5-170.600000114D291 G295D291-G293 PolarHBondContact O-N 3.23Å; G293-G295 PolarHBondContact O-N 3.06Å; G293-G295 VanDerWaalsContact O-N 3.15Å
294T58.7Low81.7Confident13 Ų1324.6 Ų24.68%0.0813%0.134CC..SBendtrans-701.5171.745.50000113.9P289 D291 K296 V416P289-T294 HydrophobicContact CB-CG2 4.43Å; P289-T294 HydrophobicContact CG-CG2 4Å; P289-T294 PolarHBondContact O-OG1 3.3Å; D291-T294 HydrophobicContact CB-CG2 4.12Å; D291-T294 PolarHBondContact O-N 3.26Å; D291-T294 VanDerWaalsContact O-N 3.08Å; D291-T294 PolarHBondContact O-OG1 3.13Å; D291-T294 VanDerWaalsContact OD2-CG2 3.31Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.37Å; T294-K296 VanDerWaalsContact C-N 3.26Å; T294-K296 PolarHBondContact O-N 2.99Å; T294-K296 VanDerWaalsContact O-N 3.17Å; T294-K296 PolarHBondContact OG1-NZ 3.15Å; T294-K296 VanDerWaalsContact OG1-NZ 3.1Å; T294-V416 WeakPolarHBondContact O-CG1 3.28Å
295G75.8Confident81.3Confident12 Ų1225.6 Ų25.612%0.12414%0.14CC..SBendtrans75.9-4.2173.800000116G293 T297 M298 L299G293-G295 PolarHBondContact O-N 3.06Å; G293-G295 VanDerWaalsContact O-N 3.15Å; G295-T297 PolarHBondContact O-N 2.92Å; G295-M298 CarbonylContact O-C 3.58Å; G295-M298 WeakPolarHBondContact O-CA 3.44Å; G295-M298 WeakPolarHBondContact O-CB 3.29Å; G295-M298 PolarHBondContact O-N 2.7Å; G295-L299 WeakPolarHBondContact O-CB 3.39Å; G295-L299 PolarHBondContact O-N 3.23Å
296K87.1Confident80.9Confident6 Ų629.4 Ų29.43%0.02616%0.158CC..Hα-helixtrans-48-54.8-179.1-59.7-166.6-64.6-76.70112.9P289 T294 M298 L299 A300 A395 N397 V416P289-K296 PolarHBondContact O-NZ 2.89Å; T294-K296 VanDerWaalsContact C-N 3.26Å; T294-K296 PolarHBondContact O-N 2.99Å; T294-K296 VanDerWaalsContact O-N 3.17Å; T294-K296 PolarHBondContact OG1-NZ 3.15Å; T294-K296 VanDerWaalsContact OG1-NZ 3.1Å; K296-M298 VanDerWaalsContact C-N 3.34Å; K296-M298 PolarHBondContact O-N 3.24Å; K296-L299 PolarHBondContact O-N 3.29Å; K296-A300 PolarHBondContact O-N 3.04Å; K296-A300 VanDerWaalsContact O-N 3.11Å; K296-A395 HydrophobicContact CB-CB 4.42Å; K296-N397 WeakPolarHBondContact CE-OD1 3.49Å; K296-N397 PolarHBondContact NZ-OD1 3.41Å; K296-V416 HydrophobicContact CD-CB 4.4Å; K296-V416 HydrophobicContact CG-CB 3.95Å; K296-V416 HydrophobicContact CG-CG1 3.98Å; K296-V416 HydrophobicContact CG-CG2 4.14Å
297T86.3Confident80.5Confident47 Ų4730.1 Ų30.129%0.28816%0.163SC..Hα-helixtrans-68.9-26.2177.1-41.10000113.3G295 K301 F347 D349G295-T297 PolarHBondContact O-N 2.92Å; T297-K301 VanDerWaalsContact O-CG 3.26Å; T297-K301 WeakPolarHBondContact O-CG 3.22Å; T297-K301 PolarHBondContact O-N 2.85Å; T297-F347 HydrophobicContact CG2-CE1 3.85Å; T297-F347 HydrophobicContact CG2-CZ 4.29Å; T297-D349 WeakPolarHBondContact CG2-OD2 3.33Å; T297-D349 PolarHBondContact OG1-OD2 2.93Å
298M86.9Confident80.1Confident86 Ų8636.8 Ų36.842%0.42419%0.192SC..Hα-helixtrans-75.2-39173.9-70.8179.666.900111.8V245 I250 G295 K296 A300 K301 A302V245-M298 HydrophobicContact CG1-CE 4.41Å; I250-M298 HydrophobicContact CD1-CB 4.37Å; I250-M298 HydrophobicContact CG1-CB 4.38Å; I250-M298 HydrophobicContact CG1-CE 4.47Å; G295-M298 CarbonylContact O-C 3.58Å; G295-M298 WeakPolarHBondContact O-CA 3.44Å; G295-M298 WeakPolarHBondContact O-CB 3.29Å; G295-M298 PolarHBondContact O-N 2.7Å; K296-M298 VanDerWaalsContact C-N 3.34Å; K296-M298 PolarHBondContact O-N 3.24Å; M298-A300 VanDerWaalsContact C-N 3.34Å; M298-K301 PolarHBondContact O-N 2.95Å; M298-A302 PolarHBondContact O-N 2.63Å
299L89.6Confident79.8Confident1 Ų137.3 Ų37.31%0.00520%0.195CC..Hα-helixtrans-61.7-44.1175.1-159.874.4000110.3W247 I250 A256 K257 V260 L286 G295 K296 K301 A302 V303W247-L299 HydrophobicContact CZ3-CD1 3.79Å; W247-L299 HydrophobicContact CZ3-CG 4.49Å; I250-L299 HydrophobicContact CD1-CB 4.42Å; I250-L299 HydrophobicContact CD1-CD1 3.94Å; A256-L299 HydrophobicContact CB-CD2 4.47Å; K257-L299 HydrophobicContact CG-CD1 3.97Å; V260-L299 HydrophobicContact CG2-CD2 3.94Å; L286-L299 HydrophobicContact CD1-CB 4.4Å; L286-L299 HydrophobicContact CD1-CD2 4.07Å; L286-L299 HydrophobicContact CD2-CD2 3.9Å; G295-L299 WeakPolarHBondContact O-CB 3.39Å; G295-L299 PolarHBondContact O-N 3.23Å; K296-L299 PolarHBondContact O-N 3.29Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 2.98Å; L299-A302 PolarHBondContact O-N 2.96Å; L299-V303 WeakPolarHBondContact O-CG2 3.19Å; L299-V303 PolarHBondContact O-N 3.29Å
300A88.1Confident79.9Confident0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-58.9-42.1172.500000113.2K296 M298 A304 F311 F347 L393K296-A300 PolarHBondContact O-N 3.04Å; K296-A300 VanDerWaalsContact O-N 3.11Å; M298-A300 VanDerWaalsContact C-N 3.34Å; A300-A304 PolarHBondContact O-N 3.41Å; A300-F311 HydrophobicContact CB-CZ 4.38Å; A300-F347 HydrophobicContact CB-CD1 4.34Å; A300-F347 HydrophobicContact CB-CD2 3.44Å; A300-F347 VanDerWaalsContact CB-CD2 3.44Å; A300-F347 HydrophobicContact CB-CE1 4.3Å; A300-F347 HydrophobicContact CB-CE2 3.41Å; A300-F347 VanDerWaalsContact CB-CE2 3.41Å; A300-F347 HydrophobicContact CB-CG 3.94Å; A300-F347 HydrophobicContact CB-CZ 3.87Å; A300-L393 HydrophobicContact CB-CD2 3.5Å; A300-L393 VanDerWaalsContact CB-CD2 3.5Å; A300-L393 HydrophobicContact CB-CG 4.47Å
301K87.4Confident80.7Confident50 Ų5034.9 Ų34.922%0.21718%0.179CC..Hα-helixtrans-66-48.1176.2-74176.6176.9-178.20111.6P243 V245 T297 M298 L299 V303 A304 T305 F311P243-K301 HydrophobicContact CB-CB 3.93Å; P243-K301 HydrophobicContact CB-CD 4.15Å; P243-K301 HydrophobicContact CB-CG 3.97Å; P243-K301 HydrophobicContact CG-CB 3.56Å; P243-K301 HydrophobicContact CG-CD 4.47Å; P243-K301 HydrophobicContact CG-CG 3.75Å; V245-K301 HydrophobicContact CB-CB 4.44Å; V245-K301 HydrophobicContact CG2-CB 4.48Å; T297-K301 VanDerWaalsContact O-CG 3.26Å; T297-K301 WeakPolarHBondContact O-CG 3.22Å; T297-K301 PolarHBondContact O-N 2.85Å; M298-K301 PolarHBondContact O-N 2.95Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 2.98Å; K301-V303 VanDerWaalsContact C-N 3.3Å; K301-V303 PolarHBondContact O-N 3.33Å; K301-A304 WeakPolarHBondContact O-CB 3.31Å; K301-A304 PolarHBondContact O-N 3.4Å; K301-T305 PolarHBondContact O-N 2.85Å; K301-T305 PolarHBondContact O-OG1 2.76Å; K301-F311 HydrophobicContact CG-CE1 4.16Å; K301-F311 HydrophobicContact CG-CZ 4.2Å
302A89.1Confident82.1Confident0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-58.2-38177.500000113.4V245 W247 I250 M298 L299 A304 T305 E306V245-A302 HydrophobicContact CG1-CB 4.43Å; V245-A302 WeakPolarHBondContact O-CA 3.45Å; W247-A302 HydrophobicContact CE3-CB 4.33Å; W247-A302 HydrophobicContact CZ3-CB 4.42Å; I250-A302 HydrophobicContact CD1-CB 3.78Å; M298-A302 PolarHBondContact O-N 2.63Å; L299-A302 PolarHBondContact O-N 2.96Å; A302-A304 VanDerWaalsContact C-N 3.32Å; A302-A304 PolarHBondContact O-N 2.75Å; A302-T305 PolarHBondContact O-N 3.1Å; A302-E306 WeakPolarHBondContact O-CB 3.27Å; A302-E306 WeakPolarHBondContact O-CG 3.4Å; A302-E306 PolarHBondContact O-N 2.93Å; A302-E306 VanDerWaalsContact O-N 3.1Å
303V88Confident83.7Confident0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-57-44.7172.6168.80000111.7W247 V260 V264 L299 K301 E306 C307W247-V303 HydrophobicContact CH2-CG2 3.69Å; W247-V303 HydrophobicContact CZ2-CG2 4.26Å; V260-V303 HydrophobicContact CG1-CG2 3.28Å; V264-V303 HydrophobicContact CB-CG1 4.17Å; V264-V303 HydrophobicContact CG1-CG1 3.81Å; V264-V303 HydrophobicContact CG2-CG1 4.39Å; L299-V303 WeakPolarHBondContact O-CG2 3.19Å; L299-V303 PolarHBondContact O-N 3.29Å; K301-V303 VanDerWaalsContact C-N 3.3Å; K301-V303 PolarHBondContact O-N 3.33Å; V303-E306 PolarHBondContact O-N 3.43Å; V303-C307 VanDerWaalsContact O-CB 3.26Å; V303-C307 WeakPolarHBondContact O-CB 3.45Å; V303-C307 PolarHBondContact O-N 2.84Å; V303-C307 PolarHBondContact O-SG 2.75Å; V303-C307 VanDerWaalsContact O-SG 3.34Å
304A86.2Confident85.3Confident0 Ų025.4 Ų25.40%013%0.13CC..Hα-helixtrans-66.4-40.5-178.800000112.8P243 A300 K301 A302 E306 K308 T309 F311P243-A304 HydrophobicContact CG-CB 4.38Å; A300-A304 PolarHBondContact O-N 3.41Å; K301-A304 WeakPolarHBondContact O-CB 3.31Å; K301-A304 PolarHBondContact O-N 3.4Å; A302-A304 VanDerWaalsContact C-N 3.32Å; A302-A304 PolarHBondContact O-N 2.75Å; A304-E306 VanDerWaalsContact C-N 3.34Å; A304-E306 PolarHBondContact O-N 3.08Å; A304-K308 VanDerWaalsContact O-CA 3.31Å; A304-K308 WeakPolarHBondContact O-CA 3.4Å; A304-K308 PolarHBondContact O-N 2.78Å; A304-T309 PolarHBondContact O-N 2.99Å; A304-F311 HydrophobicContact CB-CB 3.86Å; A304-F311 HydrophobicContact CB-CD2 3.48Å; A304-F311 VanDerWaalsContact CB-CD2 3.48Å; A304-F311 HydrophobicContact CB-CE2 4.17Å; A304-F311 HydrophobicContact CB-CG 3.84Å
305T85.8Confident86.5Confident20 Ų2026.6 Ų26.612%0.12314%0.139CC..Hα-helixtrans-58.8-45.3174.9-300000112.1P243 V245 K301 A302 K308P243-T305 WeakPolarHBondContact O-CG2 3.41Å; P243-T305 PolarHBondContact O-OG1 3.42Å; V245-T305 VanDerWaalsContact O-CB 3.23Å; V245-T305 WeakPolarHBondContact O-CB 3.3Å; V245-T305 WeakPolarHBondContact O-CG2 3.17Å; V245-T305 PolarHBondContact O-OG1 2.79Å; K301-T305 PolarHBondContact O-N 2.85Å; K301-T305 PolarHBondContact O-OG1 2.76Å; A302-T305 PolarHBondContact O-N 3.1Å; T305-K308 WeakPolarHBondContact O-CG 3.46Å; T305-K308 PolarHBondContact O-N 3.44Å
306E86.1Confident86.5Confident80 Ų8027 Ų2737%0.37414%0.141SC..Hα-helixtrans-81.7-37.8-170.1-72.9-88.113800112.1W247 A302 V303 A304 K308W247-E306 HydrophobicContact CG-CG 4.47Å; W247-E306 HydrophobicContact CZ2-CB 4.45Å; W247-E306 HydrophobicContact CZ2-CG 4.45Å; W247-E306 PolarHBondContact NE1-OE2 2.65Å; A302-E306 WeakPolarHBondContact O-CB 3.27Å; A302-E306 WeakPolarHBondContact O-CG 3.4Å; A302-E306 PolarHBondContact O-N 2.93Å; A302-E306 VanDerWaalsContact O-N 3.1Å; V303-E306 PolarHBondContact O-N 3.43Å; A304-E306 VanDerWaalsContact C-N 3.34Å; A304-E306 PolarHBondContact O-N 3.08Å; E306-K308 VanDerWaalsContact C-N 3.3Å
307C83.1Confident86Confident16 Ų1630.8 Ų30.811%0.10817%0.168CC..Hα-helixtrans-78.9-13.5172.1-62.90000113I268 V303 T309I268-C307 HydrophobicContact CD1-CB 3.83Å; V303-C307 VanDerWaalsContact O-CB 3.26Å; V303-C307 WeakPolarHBondContact O-CB 3.45Å; V303-C307 PolarHBondContact O-N 2.84Å; V303-C307 PolarHBondContact O-SG 2.75Å; V303-C307 VanDerWaalsContact O-SG 3.34Å; C307-T309 HydrophobicContact CB-CG2 3.88Å; C307-T309 PolarHBondContact O-N 3.02Å
308K83.4Confident85.7Confident142 Ų14229.7 Ų29.762%0.61716%0.162SC*.THydrogen-bonded Turntrans51.837.7-173.5-57.7-174179.4-172.20113.4A304 T305 E306A304-K308 VanDerWaalsContact O-CA 3.31Å; A304-K308 WeakPolarHBondContact O-CA 3.4Å; A304-K308 PolarHBondContact O-N 2.78Å; T305-K308 WeakPolarHBondContact O-CG 3.46Å; T305-K308 PolarHBondContact O-N 3.44Å; E306-K308 VanDerWaalsContact C-N 3.3Å
309T83Confident85.4Confident10 Ų1025.9 Ų25.96%0.06114%0.144CC..  trans-86.8157.3178.2480000111.4I268 A304 C307 F311 P343 T345I268-T309 HydrophobicContact CD1-CG2 4.38Å; A304-T309 PolarHBondContact O-N 2.99Å; C307-T309 HydrophobicContact CB-CG2 3.88Å; C307-T309 PolarHBondContact O-N 3.02Å; T309-F311 PolarHBondContact O-N 3.13Å; T309-P343 WeakPolarHBondContact CA-O 3.4Å; T309-P343 WeakPolarHBondContact CB-O 3.49Å; T309-P343 HydrophobicContact CG2-CB 4Å; T309-P343 HydrophobicContact CG2-CG 4.19Å; T309-T345 PolarHBondContact OG1-OG1 3.3Å
310T86.7Confident84.9Confident15 Ų1529.7 Ų29.79%0.09217%0.167CC..EExtended strand (participates in β ladder)trans-72.7126.416950.70000109.5L214 H341 P343 S344 T345L214-T310 HydrophobicContact CD2-CG2 3.73Å; T310-H341 HydrophobicContact CG2-CB 4.33Å; T310-P343 PolarHBondContact N-O 3.16Å; T310-P343 VanDerWaalsContact N-O 3.16Å; T310-S344 WeakPolarHBondContact O-CA 3.26Å; T310-S344 PolarHBondContact OG1-OG 3.41Å; T310-T345 PolarHBondContact O-N 3.4Å
311F89.6Confident84.4Confident0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-105113.4-171-172.2-109.8000111Y239 A300 K301 A304 T309 N313 T345 F347Y239-F311 HydrophobicContact CD2-CD1 4Å; Y239-F311 HydrophobicContact CG-CD1 4.2Å; Y239-F311 PolarHBondContact N-O 2.85Å; A300-F311 HydrophobicContact CB-CZ 4.38Å; K301-F311 HydrophobicContact CG-CE1 4.16Å; K301-F311 HydrophobicContact CG-CZ 4.2Å; A304-F311 HydrophobicContact CB-CB 3.86Å; A304-F311 HydrophobicContact CB-CD2 3.48Å; A304-F311 VanDerWaalsContact CB-CD2 3.48Å; A304-F311 HydrophobicContact CB-CE2 4.17Å; A304-F311 HydrophobicContact CB-CG 3.84Å; T309-F311 PolarHBondContact O-N 3.13Å; F311-N313 HydrophobicContact CD1-CB 4.08Å; F311-N313 HydrophobicContact CE1-CB 3.77Å; F311-T345 HydrophobicContact CD2-CG2 4.06Å; F311-T345 HydrophobicContact CE2-CG2 4.26Å; F311-F347 HydrophobicContact CD2-CB 4.46Å; F311-F347 HydrophobicContact CE1-CB 4.41Å; F311-F347 HydrophobicContact CE2-CB 3.53Å; F311-F347 HydrophobicContact CE2-CG 4.2Å; F311-F347 HydrophobicContact CZ-CB 3.5Å; F311-F347 AromaticContact CZ-CD1 3.91Å; F311-F347 HydrophobicContact CZ-CD1 3.91Å; F311-F347 AromaticContact CZ-CG 3.84Å; F311-F347 HydrophobicContact CZ-CG 3.84Å
312F90.7Very high83.9Confident0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-96110.1175-64.3-109000107.3I234 I238 I314 L334 L337 A338 H341 T345 F347I234-F312 HydrophobicContact CG2-CD1 4.49Å; I238-F312 HydrophobicContact CD1-CD1 4.06Å; I238-F312 HydrophobicContact CD1-CE1 3.45Å; I238-F312 VanDerWaalsContact CD1-CE1 3.45Å; I238-F312 HydrophobicContact CD1-CZ 3.95Å; I238-F312 HydrophobicContact CG1-CD1 3.66Å; I238-F312 HydrophobicContact CG1-CE1 3.61Å; I238-F312 HydrophobicContact CG1-CG 4.38Å; I238-F312 HydrophobicContact CG1-CZ 4.28Å; F312-I314 HydrophobicContact CB-CD1 4.22Å; F312-I314 HydrophobicContact CB-CG1 4.13Å; F312-I314 PolarHBondContact O-N 3.21Å; F312-L334 HydrophobicContact CB-CD1 4.22Å; F312-L334 HydrophobicContact CD1-CD1 3.68Å; F312-L334 HydrophobicContact CE1-CD1 4.44Å; F312-L334 HydrophobicContact CG-CD1 4.26Å; F312-L337 HydrophobicContact CE1-CB 3.93Å; F312-L337 HydrophobicContact CZ-CB 4.31Å; F312-A338 HydrophobicContact CD2-CB 4.44Å; F312-A338 HydrophobicContact CE2-CB 4.07Å; F312-A338 HydrophobicContact CZ-CB 4.12Å; F312-H341 HydrophobicContact CE2-CB 4.48Å; F312-H341 HydrophobicContact CZ-CB 4.24Å; F312-T345 PolarHBondContact N-O 3.35Å; F312-F347 PolarHBondContact O-N 3.21Å
313N89.9Confident83.2Confident32 Ų3248 Ų4817%0.17125%0.246CC..EExtended strand (participates in β ladder)trans-99.985.4-175.5-179.597.4000109.5D237 Y239 F311D237-N313 PolarHBondContact O-N 3.16Å; D237-N313 VanDerWaalsContact O-N 3.09Å; Y239-N313 HydrophobicContact CD2-CB 3.61Å; Y239-N313 HydrophobicContact CE2-CB 3.43Å; Y239-N313 VanDerWaalsContact CE2-CB 3.43Å; F311-N313 HydrophobicContact CD1-CB 4.08Å; F311-N313 HydrophobicContact CE1-CB 3.77Å
314I89.3Confident82.6Confident4 Ų455.8 Ų55.82%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-99.4122.7-167.1-52.3-57.5000110.4D237 F312 I319 L334 I346 F347 L348 D349D237-I314 HydrophobicContact CB-CD1 3.87Å; F312-I314 HydrophobicContact CB-CD1 4.22Å; F312-I314 HydrophobicContact CB-CG1 4.13Å; F312-I314 PolarHBondContact O-N 3.21Å; I314-I319 HydrophobicContact CG2-CD1 3.61Å; I314-I319 HydrophobicContact CG2-CG1 3.43Å; I314-I319 VanDerWaalsContact CG2-CG1 3.43Å; I314-L334 HydrophobicContact CD1-CD1 3.71Å; I314-L334 HydrophobicContact CD1-CD2 4.46Å; I314-L334 HydrophobicContact CG1-CD1 3.73Å; I314-L334 HydrophobicContact CG1-CD2 3.9Å; I314-L334 HydrophobicContact CG1-CG 4.48Å; I314-L334 HydrophobicContact CG2-CD2 4.18Å; I314-I346 HydrophobicContact CG1-CG2 4.36Å; I314-F347 PolarHBondContact N-O 3.35Å; I314-L348 HydrophobicContact CB-CD2 4.08Å; I314-L348 HydrophobicContact CG2-CD2 4.17Å; I314-D349 PolarHBondContact O-N 2.7Å
315S83.9Confident82.3Confident37 Ų3756.7 Ų56.726%0.25928%0.284SS..  trans-97.4163.9172.676.80000111.1S317 S318S315-S317 PolarHBondContact O-N 2.79Å; S315-S317 PolarHBondContact OG-N 2.9Å; S315-S317 PolarHBondContact OG-OG 3.44Å; S315-S318 PolarHBondContact N-OG 3.42Å; S315-S318 VanDerWaalsContact O-CB 3.29Å; S315-S318 WeakPolarHBondContact O-CB 3.45Å; S315-S318 PolarHBondContact O-N 3.39Å; S315-S318 PolarHBondContact OG-N 3.38Å; S315-S318 PolarHBondContact OG-OG 3.46Å
316A76.9Confident82.2Confident22 Ų2257.4 Ų57.418%0.18229%0.287CS..Hα-helixtrans-53.6-38169.200000113S318 I319 V320 S353 V354A316-S318 PolarHBondContact O-N 2.98Å; A316-I319 PolarHBondContact O-N 2.97Å; A316-V320 WeakPolarHBondContact O-CB 3.44Å; A316-V320 VanDerWaalsContact O-CG2 3.3Å; A316-V320 WeakPolarHBondContact O-CG2 3.23Å; A316-V320 PolarHBondContact O-N 2.71Å; A316-S353 VanDerWaalsContact CB-OG 3.23Å; A316-S353 WeakPolarHBondContact CB-OG 3.44Å; A316-V354 HydrophobicContact CB-CG2 3.57Å
317S75.7Confident82.3Confident85 Ų8554.2 Ų54.259%0.59427%0.274SS*.Hα-helixtrans-69.8-17.3179.271.90000114.3S315S315-S317 PolarHBondContact O-N 2.79Å; S315-S317 PolarHBondContact OG-N 2.9Å; S315-S317 PolarHBondContact OG-OG 3.44Å
318S80.2Confident82.6Confident23 Ų2355.5 Ų55.516%0.16128%0.278CS..Hα-helixtrans-79.4-33.7175.5-530000112.4D237 S315 A316D237-S318 WeakPolarHBondContact OD2-CB 3.23Å; D237-S318 PolarHBondContact OD2-OG 3.48Å; S315-S318 PolarHBondContact N-OG 3.42Å; S315-S318 VanDerWaalsContact O-CB 3.29Å; S315-S318 WeakPolarHBondContact O-CB 3.45Å; S315-S318 PolarHBondContact O-N 3.39Å; S315-S318 PolarHBondContact OG-N 3.38Å; S315-S318 PolarHBondContact OG-OG 3.46Å; A316-S318 PolarHBondContact O-N 2.98Å
319I80.1Confident82.9Confident6 Ų651.7 Ų51.73%0.03126%0.262CS..Hα-helixtrans-93.2-35.1-176.8-42.3178.7000111.7I314 A316 S321 S327 V331 L348 V354 M372I314-I319 HydrophobicContact CG2-CD1 3.61Å; I314-I319 HydrophobicContact CG2-CG1 3.43Å; I314-I319 VanDerWaalsContact CG2-CG1 3.43Å; A316-I319 PolarHBondContact O-N 2.97Å; I319-S321 PolarHBondContact O-N 2.78Å; I319-S321 VanDerWaalsContact O-N 3.1Å; I319-S327 WeakPolarHBondContact O-CB 2.92Å; I319-S327 PolarHBondContact O-OG 3.38Å; I319-V331 HydrophobicContact CG2-CG2 3.44Å; I319-V331 VanDerWaalsContact CG2-CG2 3.44Å; I319-L348 HydrophobicContact CD1-CD2 4.28Å; I319-V354 HydrophobicContact CD1-CG1 4.48Å; I319-M372 HydrophobicContact CB-SD 4.16Å; I319-M372 HydrophobicContact CG2-CG 3.94Å; I319-M372 HydrophobicContact CG2-SD 3.6Å; I319-M372 VanDerWaalsContact CG2-SD 3.6Å
320V80Confident83.2Confident82 Ų8251.7 Ų51.750%0.49726%0.261SS..  trans-81.994.1-173.1179.20000111.4A316 M372A316-V320 WeakPolarHBondContact O-CB 3.44Å; A316-V320 VanDerWaalsContact O-CG2 3.3Å; A316-V320 WeakPolarHBondContact O-CG2 3.23Å; A316-V320 PolarHBondContact O-N 2.71Å; V320-M372 HydrophobicContact CG2-CE 3.88Å; V320-M372 HydrophobicContact CG2-SD 3.84Å
321S78.2Confident83.4Confident35 Ų3551.1 Ų51.125%0.24526%0.258CS..  trans-83.2156.6170.377.50000113I319 W323 S327I319-S321 PolarHBondContact O-N 2.78Å; I319-S321 VanDerWaalsContact O-N 3.1Å; S321-W323 VanDerWaalsContact C-N 3.35Å; S321-W323 PolarHBondContact OG-O 2.89Å; S321-S327 PolarHBondContact N-OG 3.19Å; S321-S327 PolarHBondContact O-OG 3.45Å; S321-S327 PolarHBondContact OG-N 3.35Å; S321-S327 PolarHBondContact OG-OG 3.01Å
322K75.6Confident83.5Confident205 Ų20556 Ų5689%0.89128%0.276SS*.SBendtrans-77.2-20.7170.5-177.8177.5175.1-175.10112.8
323W75.2Confident83.4Confident193 Ų19356 Ų5673%0.73128%0.276SS*.SBendtrans-85.5137.6-173.6-62.6111.9000111.5S321 G325 D326S321-W323 VanDerWaalsContact C-N 3.35Å; S321-W323 PolarHBondContact OG-O 2.89Å; W323-G325 PolarHBondContact O-N 3.04Å; W323-D326 HydrophobicContact CB-CB 4.28Å; W323-D326 WeakPolarHBondContact CB-OD2 3.17Å; W323-D326 PolarHBondContact O-N 2.67Å
324R74.2Confident83.5Confident165 Ų16554.7 Ų54.762%0.62327%0.269SS*.THydrogen-bonded Turntrans-81.183.6-165-173.6167.3165.686.3-1.3111.7E367R324-E367 IonicContact CZ-OE2 2.71Å; R324-E367 VanDerWaalsContact CZ-OE2 3.28Å; R324-E367 IonicContact NH1-OE2 3.8Å; R324-E367 PolarHBondContact NH1-OE2 3.48Å; R324-E367 IonicContact NH2-OE1 3.64Å; R324-E367 IonicContact NH2-OE2 2.66Å; R324-E367 PolarHBondContact NH2-OE2 3.18Å
325G80.1Confident83.6Confident18 Ų1854.5 Ų54.519%0.18627%0.268CS..THydrogen-bonded Turntrans131.3-11.7178.700000113.7W323 E328 K329W323-G325 PolarHBondContact O-N 3.04Å; G325-E328 WeakPolarHBondContact O-CG 3.33Å; G325-K329 PolarHBondContact O-N 2.85Å
326D85.1Confident83.9Confident36 Ų3655.8 Ų55.819%0.19327%0.27CS..Hα-helixtrans-78.6-25.1-177.8-63.5-30.8000112.3L230 W323 E328 K329 L330L230-D326 HydrophobicContact CD2-CB 4.48Å; W323-D326 HydrophobicContact CB-CB 4.28Å; W323-D326 WeakPolarHBondContact CB-OD2 3.17Å; W323-D326 PolarHBondContact O-N 2.67Å; D326-E328 VanDerWaalsContact C-N 3.32Å; D326-E328 PolarHBondContact O-N 3.09Å; D326-K329 PolarHBondContact O-N 3.33Å; D326-K329 WeakPolarHBondContact OD1-CD 3.4Å; D326-K329 WeakPolarHBondContact OD1-CE 3.38Å; D326-K329 IonicContact OD1-NZ 3.93Å; D326-K329 PolarHBondContact OD1-NZ 3.3Å; D326-L330 WeakPolarHBondContact O-CB 3.33Å; D326-L330 VanDerWaalsContact O-CG 3.29Å; D326-L330 WeakPolarHBondContact O-CG 3.11Å; D326-L330 PolarHBondContact O-N 3.49Å
327S87.7Confident84.4Confident13 Ų1354.8 Ų54.89%0.09126%0.262CS..Hα-helixtrans-64.7-31.4174.8-45.30000113.4I319 S321 V331I319-S327 WeakPolarHBondContact O-CB 2.92Å; I319-S327 PolarHBondContact O-OG 3.38Å; S321-S327 PolarHBondContact N-OG 3.19Å; S321-S327 PolarHBondContact O-OG 3.45Å; S321-S327 PolarHBondContact OG-N 3.35Å; S321-S327 PolarHBondContact OG-OG 3.01Å; S327-V331 WeakPolarHBondContact O-CG2 3.43Å; S327-V331 PolarHBondContact O-N 2.83Å
328E88.7Confident85.1Confident43 Ų4350.7 Ų50.720%0.20123%0.233CC..Hα-helixtrans-78.2-37.1172.953.2-177.2-111.200111.5G325 D326 L330 V331 R332 R371 E375G325-E328 WeakPolarHBondContact O-CG 3.33Å; D326-E328 VanDerWaalsContact C-N 3.32Å; D326-E328 PolarHBondContact O-N 3.09Å; E328-L330 PolarHBondContact O-N 2.92Å; E328-V331 PolarHBondContact O-N 3.48Å; E328-R332 PolarHBondContact O-N 3.12Å; E328-R371 VanDerWaalsContact OE2-CB 3.29Å; E328-R371 WeakPolarHBondContact OE2-CB 3.4Å; E328-R371 WeakPolarHBondContact OE2-CD 3.46Å; E328-R371 IonicContact OE2-NH1 3.29Å; E328-E375 HydrophobicContact CB-CB 4.31Å; E328-E375 HydrophobicContact CB-CG 4.46Å
329K89.5Confident85.5Confident62 Ų6252.3 Ų52.327%0.2724%0.236SC..Hα-helixtrans-60.9-42.9170.6-63.1177-166165.80111.9E226 L230 G325 D326 V331 R332 V333E226-K329 IonicContact OE2-NZ 2.7Å; E226-K329 PolarHBondContact OE2-NZ 2.87Å; L230-K329 HydrophobicContact CD1-CB 3.41Å; L230-K329 VanDerWaalsContact CD1-CB 3.41Å; L230-K329 HydrophobicContact CD1-CD 3.75Å; L230-K329 HydrophobicContact CD1-CG 4.26Å; G325-K329 PolarHBondContact O-N 2.85Å; D326-K329 PolarHBondContact O-N 3.33Å; D326-K329 WeakPolarHBondContact OD1-CD 3.4Å; D326-K329 WeakPolarHBondContact OD1-CE 3.38Å; D326-K329 IonicContact OD1-NZ 3.93Å; D326-K329 PolarHBondContact OD1-NZ 3.3Å; K329-V331 VanDerWaalsContact C-N 3.35Å; K329-V331 PolarHBondContact O-N 3.47Å; K329-R332 WeakPolarHBondContact O-CB 3.35Å; K329-R332 PolarHBondContact O-N 3.23Å; K329-R332 VanDerWaalsContact O-N 3.16Å; K329-V333 WeakPolarHBondContact O-CG2 3.3Å; K329-V333 PolarHBondContact O-N 2.83Å
330L89.6Confident85.8Confident10 Ų1054.4 Ų54.45%0.05224%0.244CC..Hα-helixtrans-59.2-42.7177.3-78.3164.9000111.7L230 I234 D326 E328 R332 V333 L334L230-L330 HydrophobicContact CB-CD2 3.97Å; L230-L330 HydrophobicContact CD2-CD2 4Å; L230-L330 HydrophobicContact CD2-CG 4.16Å; L230-L330 HydrophobicContact CG-CD2 4.46Å; I234-L330 HydrophobicContact CD1-CB 4.38Å; I234-L330 HydrophobicContact CD1-CD2 3.6Å; I234-L330 WeakPolarHBondContact CD1-O 3.31Å; I234-L330 HydrophobicContact CG1-CD2 3.83Å; D326-L330 WeakPolarHBondContact O-CB 3.33Å; D326-L330 VanDerWaalsContact O-CG 3.29Å; D326-L330 WeakPolarHBondContact O-CG 3.11Å; D326-L330 PolarHBondContact O-N 3.49Å; E328-L330 PolarHBondContact O-N 2.92Å; L330-R332 PolarHBondContact O-N 3.37Å; L330-V333 PolarHBondContact O-N 2.87Å; L330-L334 VanDerWaalsContact O-CB 3.26Å; L330-L334 WeakPolarHBondContact O-CB 3.33Å; L330-L334 PolarHBondContact O-N 3.33Å
331V91.6Very high86Confident2 Ų250.7 Ų50.71%0.01222%0.221CC..Hα-helixtrans-62.1-41.2174.7174.80000111.7I319 S327 E328 K329 F335 M372 E375 L376 Q379I319-V331 HydrophobicContact CG2-CG2 3.44Å; I319-V331 VanDerWaalsContact CG2-CG2 3.44Å; S327-V331 WeakPolarHBondContact O-CG2 3.43Å; S327-V331 PolarHBondContact O-N 2.83Å; E328-V331 PolarHBondContact O-N 3.48Å; K329-V331 VanDerWaalsContact C-N 3.35Å; K329-V331 PolarHBondContact O-N 3.47Å; V331-F335 HydrophobicContact CG1-CD2 4.4Å; V331-F335 HydrophobicContact CG1-CE2 4.44Å; V331-F335 WeakPolarHBondContact O-CD2 3.34Å; V331-F335 PolarHBondContact O-N 3.42Å; V331-M372 HydrophobicContact CG2-CG 3.98Å; V331-E375 HydrophobicContact CB-CB 4.48Å; V331-E375 HydrophobicContact CB-CG 4.02Å; V331-E375 HydrophobicContact CG1-CB 4.31Å; V331-E375 HydrophobicContact CG1-CG 3.87Å; V331-L376 HydrophobicContact CG1-CB 4.18Å; V331-L376 HydrophobicContact CG1-CD1 3.99Å; V331-Q379 HydrophobicContact CG1-CG 4.14Å
332R90.6Very high86.3Confident102 Ų10249.9 Ų49.939%0.38522%0.216SC..Hα-helixtrans-61.9-55.1175-69.5-176.6-179151.413.1111.5E328 K329 L330 L334 F335 E336 E375E328-R332 PolarHBondContact O-N 3.12Å; K329-R332 WeakPolarHBondContact O-CB 3.35Å; K329-R332 PolarHBondContact O-N 3.23Å; K329-R332 VanDerWaalsContact O-N 3.16Å; L330-R332 PolarHBondContact O-N 3.37Å; R332-L334 VanDerWaalsContact C-N 3.27Å; R332-L334 PolarHBondContact O-N 3.42Å; R332-F335 PolarHBondContact O-N 2.87Å; R332-F335 VanDerWaalsContact O-N 3.09Å; R332-E336 WeakPolarHBondContact O-CG 3.32Å; R332-E336 PolarHBondContact O-N 2.91Å; R332-E375 HydrophobicContact CG-CG 4.01Å; R332-E375 WeakPolarHBondContact CG-OE1 3.29Å; R332-E375 IonicContact CZ-OE1 3.28Å; R332-E375 IonicContact CZ-OE2 2.78Å; R332-E375 IonicContact NE-OE1 3.79Å; R332-E375 PolarHBondContact NE-OE1 3.49Å; R332-E375 IonicContact NE-OE2 2.76Å; R332-E375 PolarHBondContact NE-OE2 2.95Å; R332-E375 IonicContact NH2-OE1 2.68Å; R332-E375 IonicContact NH2-OE2 3.2Å; R332-E375 PolarHBondContact NH2-OE2 3.31Å
333V90.3Very high86.8Confident1 Ų141 Ų411%0.00618%0.179CC..Hα-helixtrans-59.1-37.5-178.4174.60000111.6I223 M227 L230 A231 I234 K329 L330 E336 L337I223-V333 HydrophobicContact CD1-CG2 4.36Å; M227-V333 HydrophobicContact CB-CG2 3.56Å; L230-V333 HydrophobicContact CB-CG2 4.46Å; A231-V333 HydrophobicContact CB-CG1 3.65Å; I234-V333 HydrophobicContact CD1-CB 3.94Å; I234-V333 HydrophobicContact CD1-CG1 3.81Å; K329-V333 WeakPolarHBondContact O-CG2 3.3Å; K329-V333 PolarHBondContact O-N 2.83Å; L330-V333 PolarHBondContact O-N 2.87Å; V333-E336 PolarHBondContact O-N 2.89Å; V333-L337 HydrophobicContact CG1-CD1 3.84Å; V333-L337 HydrophobicContact CG1-CG 4.18Å; V333-L337 VanDerWaalsContact O-CB 3.27Å; V333-L337 WeakPolarHBondContact O-CB 3.29Å; V333-L337 VanDerWaalsContact O-CG 3.24Å; V333-L337 WeakPolarHBondContact O-CG 3.43Å; V333-L337 PolarHBondContact O-N 3.25Å
334L91.6Very high87.4Confident4 Ų431.9 Ų31.92%0.02115%0.145CC..Hα-helixtrans-58.3-49.7174.3170.562.1000112I234 F312 I314 L330 R332 A338 I346I234-L334 HydrophobicContact CD1-CB 4.13Å; I234-L334 HydrophobicContact CG2-CD1 3.96Å; F312-L334 HydrophobicContact CB-CD1 4.22Å; F312-L334 HydrophobicContact CD1-CD1 3.68Å; F312-L334 HydrophobicContact CE1-CD1 4.44Å; F312-L334 HydrophobicContact CG-CD1 4.26Å; I314-L334 HydrophobicContact CD1-CD1 3.71Å; I314-L334 HydrophobicContact CD1-CD2 4.46Å; I314-L334 HydrophobicContact CG1-CD1 3.73Å; I314-L334 HydrophobicContact CG1-CD2 3.9Å; I314-L334 HydrophobicContact CG1-CG 4.48Å; I314-L334 HydrophobicContact CG2-CD2 4.18Å; L330-L334 VanDerWaalsContact O-CB 3.26Å; L330-L334 WeakPolarHBondContact O-CB 3.33Å; L330-L334 PolarHBondContact O-N 3.33Å; R332-L334 VanDerWaalsContact C-N 3.27Å; R332-L334 PolarHBondContact O-N 3.42Å; L334-A338 WeakPolarHBondContact O-CB 3.48Å; L334-A338 PolarHBondContact O-N 2.95Å; L334-I346 HydrophobicContact CD2-CG2 4.35Å
335F91.8Very high88.2Confident0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-73.5-34.6-178.4-81.9-111.5000111.9V331 R332 A338 R339 I346 L376 Q379 M380 L383 V392V331-F335 HydrophobicContact CG1-CD2 4.4Å; V331-F335 HydrophobicContact CG1-CE2 4.44Å; V331-F335 WeakPolarHBondContact O-CD2 3.34Å; V331-F335 PolarHBondContact O-N 3.42Å; R332-F335 PolarHBondContact O-N 2.87Å; R332-F335 VanDerWaalsContact O-N 3.09Å; F335-A338 PolarHBondContact O-N 2.9Å; F335-R339 VanDerWaalsContact O-CG 3.26Å; F335-R339 WeakPolarHBondContact O-CG 3.41Å; F335-R339 PolarHBondContact O-N 2.81Å; F335-I346 HydrophobicContact CD1-CD1 4.09Å; F335-I346 HydrophobicContact CD2-CD1 4.16Å; F335-I346 HydrophobicContact CE1-CD1 4.03Å; F335-I346 HydrophobicContact CE2-CD1 4.07Å; F335-I346 HydrophobicContact CG-CD1 4.18Å; F335-I346 HydrophobicContact CZ-CD1 4.01Å; F335-L376 HydrophobicContact CE2-CD1 3.46Å; F335-L376 VanDerWaalsContact CE2-CD1 3.46Å; F335-L376 HydrophobicContact CZ-CD1 3.65Å; F335-Q379 HydrophobicContact CB-CB 4.15Å; F335-Q379 HydrophobicContact CB-CG 4.23Å; F335-Q379 HydrophobicContact CD1-CB 3.62Å; F335-Q379 HydrophobicContact CD2-CB 4Å; F335-Q379 HydrophobicContact CD2-CG 4.41Å; F335-Q379 HydrophobicContact CE1-CB 3.92Å; F335-Q379 HydrophobicContact CE2-CB 4.29Å; F335-Q379 HydrophobicContact CG-CB 3.65Å; F335-Q379 HydrophobicContact CG-CG 4.17Å; F335-Q379 HydrophobicContact CZ-CB 4.25Å; F335-M380 HydrophobicContact CE1-CG 4.27Å; F335-M380 HydrophobicContact CZ-CG 4.23Å; F335-L383 HydrophobicContact CD1-CD1 3.71Å; F335-L383 HydrophobicContact CD1-CD2 4.37Å; F335-L383 HydrophobicContact CD1-CG 3.85Å; F335-L383 HydrophobicContact CE1-CD1 3.53Å; F335-L383 HydrophobicContact CE1-CG 4.01Å; F335-V392 HydrophobicContact CE1-CG2 4.16Å; F335-V392 HydrophobicContact CZ-CG2 4.31Å
336E89.1Confident88.8Confident65 Ų6523.2 Ų23.230%0.30411%0.107SC..Hα-helixtrans-67.3-40.2173.6-66.6178.1-163.500112.3F220 R332 V333 R339 Y340F220-E336 HydrophobicContact CZ-CB 3.97Å; R332-E336 WeakPolarHBondContact O-CG 3.32Å; R332-E336 PolarHBondContact O-N 2.91Å; V333-E336 PolarHBondContact O-N 2.89Å; E336-R339 PolarHBondContact O-N 3.37Å; E336-Y340 WeakPolarHBondContact O-CB 3.45Å; E336-Y340 PolarHBondContact O-N 2.85Å
337L87.7Confident89.2Confident0 Ų021.5 Ų21.50%010%0.098CC..Hα-helixtrans-62.9-42.8170.2-75.7171.7000111.5L217 F220 A231 I234 F312 V333 R339 Y340 H341L217-L337 HydrophobicContact CD2-CD2 4.04Å; F220-L337 HydrophobicContact CD2-CD2 4.1Å; F220-L337 HydrophobicContact CE2-CD2 3.86Å; F220-L337 HydrophobicContact CE2-CG 4.47Å; A231-L337 HydrophobicContact CB-CD1 4.03Å; A231-L337 HydrophobicContact CB-CD2 4.43Å; I234-L337 HydrophobicContact CB-CD1 4.04Å; I234-L337 HydrophobicContact CG2-CD1 3.76Å; F312-L337 HydrophobicContact CE1-CB 3.93Å; F312-L337 HydrophobicContact CZ-CB 4.31Å; V333-L337 HydrophobicContact CG1-CD1 3.84Å; V333-L337 HydrophobicContact CG1-CG 4.18Å; V333-L337 VanDerWaalsContact O-CB 3.27Å; V333-L337 WeakPolarHBondContact O-CB 3.29Å; V333-L337 VanDerWaalsContact O-CG 3.24Å; V333-L337 WeakPolarHBondContact O-CG 3.43Å; V333-L337 PolarHBondContact O-N 3.25Å; L337-R339 PolarHBondContact O-N 3.01Å; L337-Y340 PolarHBondContact O-N 2.96Å; L337-H341 WeakPolarHBondContact O-CB 3.1Å; L337-H341 PolarHBondContact O-CD2 2.9Å; L337-H341 PolarHBondContact O-N 2.98Å
338A89.8Confident89.4Confident0 Ų021.1 Ų21.10%010%0.095CC..Hα-helixtrans-63.1-41.3177.300000112.2F312 L334 F335 H341 A342 S344 I346 V390F312-A338 HydrophobicContact CD2-CB 4.44Å; F312-A338 HydrophobicContact CE2-CB 4.07Å; F312-A338 HydrophobicContact CZ-CB 4.12Å; L334-A338 WeakPolarHBondContact O-CB 3.48Å; L334-A338 PolarHBondContact O-N 2.95Å; F335-A338 PolarHBondContact O-N 2.9Å; A338-H341 PolarHBondContact O-N 2.83Å; A338-A342 PolarHBondContact O-N 2.69Å; A338-S344 WeakPolarHBondContact O-CB 3.45Å; A338-S344 PolarHBondContact O-OG 3.35Å; A338-I346 HydrophobicContact CB-CD1 3.68Å; A338-I346 HydrophobicContact CB-CG1 3.87Å; A338-V390 HydrophobicContact CB-CG1 3.88Å; A338-V390 HydrophobicContact CB-CG2 4.38Å
339R88.4Confident89.4Confident56 Ų5620.8 Ų20.821%0.2119%0.094CC..Hα-helixtrans-62-47.3170.8-69.3174-177.6115.74.9111.1F335 E336 L337 H341 A342 L383 D388 V390F335-R339 VanDerWaalsContact O-CG 3.26Å; F335-R339 WeakPolarHBondContact O-CG 3.41Å; F335-R339 PolarHBondContact O-N 2.81Å; E336-R339 PolarHBondContact O-N 3.37Å; L337-R339 PolarHBondContact O-N 3.01Å; R339-H341 VanDerWaalsContact C-N 3.32Å; R339-H341 PolarHBondContact O-N 3.17Å; R339-A342 VanDerWaalsContact O-CB 3.28Å; R339-A342 WeakPolarHBondContact O-CB 3.34Å; R339-A342 PolarHBondContact O-N 2.83Å; R339-L383 HydrophobicContact CG-CD2 4.29Å; R339-D388 VanDerWaalsContact CD-OD2 3.24Å; R339-D388 WeakPolarHBondContact CD-OD2 3.41Å; R339-D388 HydrophobicContact CG-CB 4.28Å; R339-D388 VanDerWaalsContact CG-OD2 3.31Å; R339-D388 WeakPolarHBondContact CG-OD2 3.35Å; R339-D388 IonicContact NE-OD2 3.14Å; R339-D388 PolarHBondContact NE-OD2 2.84Å; R339-V390 HydrophobicContact CG-CG2 4.18Å
340Y86.3Confident89.3Confident50 Ų5022.8 Ų22.820%0.19611%0.105CC..Hα-helixtrans-59.2-39.4178.3-176.9-111.6000112.7K215 P216 G219 F220 E336 L337K215-Y340 HydrophobicContact CB-CD1 4.29Å; K215-Y340 HydrophobicContact CB-CE1 3.47Å; K215-Y340 VanDerWaalsContact CB-CE1 3.47Å; K215-Y340 HydrophobicContact CD-CD1 4.46Å; K215-Y340 HydrophobicContact CD-CD2 4.49Å; K215-Y340 HydrophobicContact CD-CE1 4.19Å; K215-Y340 HydrophobicContact CD-CE2 4.21Å; K215-Y340 VanDerWaalsContact CD-O 3.3Å; K215-Y340 WeakPolarHBondContact CD-O 3.48Å; K215-Y340 VanDerWaalsContact CE-O 3.25Å; K215-Y340 WeakPolarHBondContact CE-O 3.47Å; K215-Y340 HydrophobicContact CG-CE1 4.47Å; K215-Y340 PolarHBondContact NZ-O 3.27Å; P216-Y340 PolarHBondContact O-OH 2.89Å; P216-Y340 VanDerWaalsContact O-OH 3.04Å; G219-Y340 WeakPolarHBondContact CA-OH 3.3Å; F220-Y340 AromaticContact CD2-CD1 3.73Å; F220-Y340 HydrophobicContact CD2-CD1 3.73Å; F220-Y340 HydrophobicContact CD2-CD2 4.09Å; F220-Y340 HydrophobicContact CD2-CE1 4.08Å; F220-Y340 HydrophobicContact CD2-CE2 4.42Å; F220-Y340 AromaticContact CD2-CG 3.73Å; F220-Y340 HydrophobicContact CD2-CG 3.73Å; F220-Y340 HydrophobicContact CE2-CD1 4.01Å; F220-Y340 HydrophobicContact CE2-CD2 4.22Å; F220-Y340 AromaticContact CE2-CG 3.69Å; F220-Y340 HydrophobicContact CE2-CG 3.69Å; E336-Y340 WeakPolarHBondContact O-CB 3.45Å; E336-Y340 PolarHBondContact O-N 2.85Å; L337-Y340 PolarHBondContact O-N 2.96Å
341H84.9Confident89.3Confident5 Ų522.4 Ų22.42%0.02310%0.102CC..Hα-helixtrans-87.20.5-178.7-72.1-64.7000115.5K215 T310 F312 L337 A338 R339K215-H341 PolarHBondContact O-CE1 3.46Å; T310-H341 HydrophobicContact CG2-CB 4.33Å; F312-H341 HydrophobicContact CE2-CB 4.48Å; F312-H341 HydrophobicContact CZ-CB 4.24Å; L337-H341 WeakPolarHBondContact O-CB 3.1Å; L337-H341 PolarHBondContact O-CD2 2.9Å; L337-H341 PolarHBondContact O-N 2.98Å; A338-H341 PolarHBondContact O-N 2.83Å; R339-H341 VanDerWaalsContact C-N 3.32Å; R339-H341 PolarHBondContact O-N 3.17Å
342A84.3Confident89.1Confident18 Ų1823.5 Ų23.515%0.14911%0.108CC..  trans-46.4142-171.500000115.3R212 A338 R339 S344 V390R212-A342 PolarHBondContact NH2-O 2.9Å; A338-A342 PolarHBondContact O-N 2.69Å; R339-A342 VanDerWaalsContact O-CB 3.28Å; R339-A342 WeakPolarHBondContact O-CB 3.34Å; R339-A342 PolarHBondContact O-N 2.83Å; A342-S344 WeakPolarHBondContact CA-OG 3.39Å; A342-S344 PolarHBondContact N-OG 2.78Å; A342-V390 HydrophobicContact CB-CG2 4.5Å
343P86.3Confident88.8Confident17 Ų1722 Ų2211%0.1111%0.113CC..SBendcis-79.71395.934.8-35000112.7T309 T310 L389T309-P343 WeakPolarHBondContact CA-O 3.4Å; T309-P343 WeakPolarHBondContact CB-O 3.49Å; T309-P343 HydrophobicContact CG2-CB 4Å; T309-P343 HydrophobicContact CG2-CG 4.19Å; T310-P343 PolarHBondContact N-O 3.16Å; T310-P343 VanDerWaalsContact N-O 3.16Å; P343-L389 CarbonylContact C-O 3.6Å; P343-L389 VanDerWaalsContact CA-O 3.22Å; P343-L389 WeakPolarHBondContact CA-O 3.49Å; P343-L389 HydrophobicContact CB-CB 3.84Å; P343-L389 HydrophobicContact CB-CD1 4.41Å
344S88.4Confident88.4Confident2 Ų222.2 Ų22.21%0.01411%0.114CC..EExtended strand (participates in β ladder)trans-133.5146.7-166.5-57.40000111.8T310 A338 A342 L389 V390 F391T310-S344 WeakPolarHBondContact O-CA 3.26Å; T310-S344 PolarHBondContact OG1-OG 3.41Å; A338-S344 WeakPolarHBondContact O-CB 3.45Å; A338-S344 PolarHBondContact O-OG 3.35Å; A342-S344 WeakPolarHBondContact CA-OG 3.39Å; A342-S344 PolarHBondContact N-OG 2.78Å; S344-L389 PolarHBondContact N-O 3.34Å; S344-V390 WeakPolarHBondContact O-CA 3.24Å; S344-F391 PolarHBondContact O-N 3.23Å
345T90.6Very high87.9Confident1 Ų122.1 Ų22.11%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-121.4113173.6-60.20000108.7T309 T310 F311 F312 F391T309-T345 PolarHBondContact OG1-OG1 3.3Å; T310-T345 PolarHBondContact O-N 3.4Å; F311-T345 HydrophobicContact CD2-CG2 4.06Å; F311-T345 HydrophobicContact CE2-CG2 4.26Å; F312-T345 PolarHBondContact N-O 3.35Å; T345-F391 WeakPolarHBondContact CA-O 3.46Å; T345-F391 HydrophobicContact CG2-CD1 4.21Å
346I92.8Very high87.1Confident0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-89.6115171.8-52.6176.6000107.3I314 L334 F335 A338 L348 V390 F391 V392 L393I314-I346 HydrophobicContact CG1-CG2 4.36Å; L334-I346 HydrophobicContact CD2-CG2 4.35Å; F335-I346 HydrophobicContact CD1-CD1 4.09Å; F335-I346 HydrophobicContact CD2-CD1 4.16Å; F335-I346 HydrophobicContact CE1-CD1 4.03Å; F335-I346 HydrophobicContact CE2-CD1 4.07Å; F335-I346 HydrophobicContact CG-CD1 4.18Å; F335-I346 HydrophobicContact CZ-CD1 4.01Å; A338-I346 HydrophobicContact CB-CD1 3.68Å; A338-I346 HydrophobicContact CB-CG1 3.87Å; I346-L348 HydrophobicContact CG2-CD2 4.35Å; I346-L348 HydrophobicContact CG2-CG 4.31Å; I346-V390 HydrophobicContact CD1-CG1 3.91Å; I346-V390 HydrophobicContact CG1-CG1 4.13Å; I346-F391 PolarHBondContact N-O 2.84Å; I346-V392 HydrophobicContact CD1-CG2 4.48Å; I346-L393 PolarHBondContact O-N 3.45Å
347F93.1Very high86Confident0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-100.3124.5172.1-179.2-116.7000110.1T297 A300 F311 F312 I314 D349 L393 A395T297-F347 HydrophobicContact CG2-CE1 3.85Å; T297-F347 HydrophobicContact CG2-CZ 4.29Å; A300-F347 HydrophobicContact CB-CD1 4.34Å; A300-F347 HydrophobicContact CB-CD2 3.44Å; A300-F347 VanDerWaalsContact CB-CD2 3.44Å; A300-F347 HydrophobicContact CB-CE1 4.3Å; A300-F347 HydrophobicContact CB-CE2 3.41Å; A300-F347 VanDerWaalsContact CB-CE2 3.41Å; A300-F347 HydrophobicContact CB-CG 3.94Å; A300-F347 HydrophobicContact CB-CZ 3.87Å; F311-F347 HydrophobicContact CD2-CB 4.46Å; F311-F347 HydrophobicContact CE1-CB 4.41Å; F311-F347 HydrophobicContact CE2-CB 3.53Å; F311-F347 HydrophobicContact CE2-CG 4.2Å; F311-F347 HydrophobicContact CZ-CB 3.5Å; F311-F347 AromaticContact CZ-CD1 3.91Å; F311-F347 HydrophobicContact CZ-CD1 3.91Å; F311-F347 AromaticContact CZ-CG 3.84Å; F311-F347 HydrophobicContact CZ-CG 3.84Å; F312-F347 PolarHBondContact O-N 3.21Å; I314-F347 PolarHBondContact N-O 3.35Å; F347-D349 HydrophobicContact CD1-CB 4.34Å; F347-D349 HydrophobicContact CE1-CB 3.54Å; F347-D349 VanDerWaalsContact CE1-OD2 3.22Å; F347-D349 WeakPolarHBondContact CE1-OD2 3.33Å; F347-D349 HydrophobicContact CZ-CB 3.86Å; F347-D349 WeakPolarHBondContact CZ-OD2 3.38Å; F347-L393 CarbonylContact C-O 3.6Å; F347-L393 VanDerWaalsContact CA-O 3.29Å; F347-L393 WeakPolarHBondContact CA-O 3.36Å; F347-L393 HydrophobicContact CD2-CB 4.15Å; F347-L393 HydrophobicContact CD2-CD2 4.09Å; F347-L393 HydrophobicContact CD2-CG 3.92Å; F347-L393 VanDerWaalsContact CD2-O 3.29Å; F347-L393 WeakPolarHBondContact CD2-O 3.32Å; F347-L393 HydrophobicContact CE2-CG 4.36Å; F347-A395 HydrophobicContact CE2-CB 3.74Å; F347-A395 HydrophobicContact CZ-CB 3.7Å
348L92Very high84.6Confident6 Ų630.1 Ų30.13%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-111.8100177.3-63.9169.1000108.2I314 I319 I346 L351 L376 V392 L393 A394 A395I314-L348 HydrophobicContact CB-CD2 4.08Å; I314-L348 HydrophobicContact CG2-CD2 4.17Å; I319-L348 HydrophobicContact CD1-CD2 4.28Å; I346-L348 HydrophobicContact CG2-CD2 4.35Å; I346-L348 HydrophobicContact CG2-CG 4.31Å; L348-L351 HydrophobicContact CB-CD1 4.23Å; L348-L351 HydrophobicContact CD1-CD1 4.2Å; L348-L376 HydrophobicContact CD1-CD2 4.33Å; L348-V392 HydrophobicContact CD1-CG1 3.83Å; L348-L393 PolarHBondContact N-O 3.02Å; L348-A394 WeakPolarHBondContact O-CA 3.4Å; L348-A395 PolarHBondContact O-N 3.34Å
349D89.2Confident82.6Confident35 Ų3531.6 Ų31.619%0.18717%0.165CC..  trans-85.6155.1176.6-141.2-26.7000111.6T297 I314 F347 L351 A395T297-D349 WeakPolarHBondContact CG2-OD2 3.33Å; T297-D349 PolarHBondContact OG1-OD2 2.93Å; I314-D349 PolarHBondContact O-N 2.7Å; F347-D349 HydrophobicContact CD1-CB 4.34Å; F347-D349 HydrophobicContact CE1-CB 3.54Å; F347-D349 VanDerWaalsContact CE1-OD2 3.22Å; F347-D349 WeakPolarHBondContact CE1-OD2 3.33Å; F347-D349 HydrophobicContact CZ-CB 3.86Å; F347-D349 WeakPolarHBondContact CZ-OD2 3.38Å; D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 2.93Å; D349-A395 WeakPolarHBondContact OD1-CB 3.25Å
350E87.5Confident80.6Confident105 Ų10536.2 Ų36.249%0.49120%0.2SC..SBendtrans4943.2-178.4-58-176160.300113.9E352 S353 A395E350-E352 PolarHBondContact O-N 3.37Å; E350-S353 WeakPolarHBondContact O-CB 3.18Å; E350-S353 PolarHBondContact O-N 3.47Å; E350-S353 PolarHBondContact O-OG 3.29Å; E350-A395 PolarHBondContact N-O 2.64Å
351L88.8Confident78.9Confident1 Ų137.5 Ų37.51%0.00522%0.216CC..THydrogen-bonded Turntrans-52.5-30.8-169.4-17567.6000114.5L348 D349 S353 V354 M355 A394 A395 L402 M406 L410L348-L351 HydrophobicContact CB-CD1 4.23Å; L348-L351 HydrophobicContact CD1-CD1 4.2Å; D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 2.93Å; L351-S353 PolarHBondContact O-N 3.43Å; L351-V354 PolarHBondContact O-N 3.35Å; L351-M355 HydrophobicContact CD1-CB 4.25Å; L351-M355 HydrophobicContact CD1-CG 3.67Å; L351-M355 HydrophobicContact CG-CB 4.13Å; L351-M355 HydrophobicContact CG-CG 4.09Å; L351-M355 PolarHBondContact O-N 3.17Å; L351-A394 HydrophobicContact CD2-CB 3.7Å; L351-A395 WeakPolarHBondContact CB-O 3.34Å; L351-A395 PolarHBondContact N-O 3.35Å; L351-L402 HydrophobicContact CB-CD2 4.14Å; L351-L402 HydrophobicContact CD2-CD1 4.44Å; L351-L402 HydrophobicContact CD2-CD2 3.89Å; L351-L402 HydrophobicContact CG-CD2 3.87Å; L351-M406 HydrophobicContact CD1-CE 4.27Å; L351-M406 HydrophobicContact CD2-CE 4.06Å; L351-L410 HydrophobicContact CD2-CD1 3.67Å
352E87.4Confident77.2Confident26 Ų2640.8 Ų40.812%0.12124%0.239CC..Hα-helixtrans-50.8-36.6173.854.5-91.5-147.300113.3E350 V354 G356 S396 N397 L398 L402E350-E352 PolarHBondContact O-N 3.37Å; E352-V354 VanDerWaalsContact C-N 3.27Å; E352-V354 PolarHBondContact O-N 3.14Å; E352-G356 WeakPolarHBondContact O-CA 3.47Å; E352-G356 PolarHBondContact O-N 3.35Å; E352-S396 WeakPolarHBondContact OE2-CA 3.37Å; E352-S396 WeakPolarHBondContact OE2-CB 3.41Å; E352-S396 PolarHBondContact OE2-OG 3.27Å; E352-N397 WeakPolarHBondContact OE1-CA 3.49Å; E352-N397 VanDerWaalsContact OE1-CB 3.24Å; E352-N397 WeakPolarHBondContact OE1-CB 3.4Å; E352-N397 PolarHBondContact OE1-N 2.98Å; E352-N397 PolarHBondContact OE1-ND2 3.14Å; E352-N397 PolarHBondContact OE2-N 3.38Å; E352-N397 VanDerWaalsContact OE2-N 3.17Å; E352-L398 HydrophobicContact CB-CB 4.11Å; E352-L398 HydrophobicContact CG-CB 4.16Å; E352-L398 HydrophobicContact CG-CD1 4.25Å; E352-L398 HydrophobicContact CG-CG 4.33Å; E352-L402 HydrophobicContact CB-CD2 4.48Å
353S83.4Confident75.7Confident70 Ų7046.4 Ų46.449%0.4927%0.272SS..Hα-helixtrans-69.6-23.8-179.864.80000113.3A316 E350 L351A316-S353 VanDerWaalsContact CB-OG 3.23Å; A316-S353 WeakPolarHBondContact CB-OG 3.44Å; E350-S353 WeakPolarHBondContact O-CB 3.18Å; E350-S353 PolarHBondContact O-N 3.47Å; E350-S353 PolarHBondContact O-OG 3.29Å; L351-S353 PolarHBondContact O-N 3.43Å
354V81.8Confident74.4Confident6 Ų652.7 Ų52.74%0.03631%0.305CS..Hα-helixtrans-99.1-35.5179-158.40000111.3A316 I319 L351 E352 M372 K373A316-V354 HydrophobicContact CB-CG2 3.57Å; I319-V354 HydrophobicContact CD1-CG1 4.48Å; L351-V354 PolarHBondContact O-N 3.35Å; E352-V354 VanDerWaalsContact C-N 3.27Å; E352-V354 PolarHBondContact O-N 3.14Å; V354-M372 HydrophobicContact CG1-CE 3.52Å; V354-M372 HydrophobicContact CG1-SD 4.39Å; V354-K373 WeakPolarHBondContact O-CE 3.46Å; V354-K373 WeakPolarHBondContact O-CG 3.2Å
355M81.8Confident73.5Confident2 Ų254.3 Ų54.31%0.0131%0.312CS..Hα-helixtrans-123.421.6-167-62.6-67.4137.400114.4L351 K373 L376 L402 D403 M406L351-M355 HydrophobicContact CD1-CB 4.25Å; L351-M355 HydrophobicContact CD1-CG 3.67Å; L351-M355 HydrophobicContact CG-CB 4.13Å; L351-M355 HydrophobicContact CG-CG 4.09Å; L351-M355 PolarHBondContact O-N 3.17Å; M355-K373 HydrophobicContact CE-CB 4.2Å; M355-K373 HydrophobicContact CE-CG 3.88Å; M355-K373 HydrophobicContact SD-CB 4.15Å; M355-K373 HydrophobicContact SD-CG 3.88Å; M355-L376 HydrophobicContact CE-CB 3.93Å; M355-L376 HydrophobicContact CE-CD2 3.34Å; M355-L376 HydrophobicContact CE-CG 4.26Å; M355-L376 HydrophobicContact CG-CD2 4.26Å; M355-L376 HydrophobicContact SD-CD2 3.97Å; M355-L402 HydrophobicContact CB-CD2 4.45Å; M355-D403 PolarHBondContact O-N 3Å; M355-M406 HydrophobicContact CB-CG 3.85Å; M355-M406 HydrophobicContact CG-CE 4.28Å; M355-M406 HydrophobicContact CG-CG 3.66Å; M355-M406 HydrophobicContact CG-SD 4.08Å; M355-M406 HydrophobicContact SD-CG 3.67Å; M355-M406 HydrophobicContact SD-SD 3.82Å
356G75Confident72.7Confident17 Ų1760.6 Ų60.618%0.17534%0.341CS..BIsolated β-bridgetrans-54.7146.9173.500000113.5E352 K373 E401E352-G356 WeakPolarHBondContact O-CA 3.47Å; E352-G356 PolarHBondContact O-N 3.35Å; G356-K373 PolarHBondContact O-NZ 3.07Å; G356-E401 CarbonylContact C-O 3.15Å; G356-E401 VanDerWaalsContact CA-O 3.29Å; G356-E401 WeakPolarHBondContact CA-O 3.19Å
357Q65.7Low72.2Confident82 Ų8264.4 Ų64.438%0.38336%0.359SS..  trans-60.3150.3-174.5-87.9164.828.800113.9G359 W400 E401 L402Q357-G359 VanDerWaalsContact C-N 3.33Å; Q357-G359 PolarHBondContact O-N 2.77Å; Q357-W400 PolarHBondContact NE2-O 2.79Å; Q357-E401 WeakPolarHBondContact CG-O 3.02Å; Q357-E401 PolarHBondContact N-O 3.4Å; Q357-L402 PolarHBondContact NE2-O 3.44Å
358R59.9Low71.6Confident133 Ų13365.4 Ų65.450%0.50237%0.37SS..SBendtrans-7973.7-175.1-58.9-180-172.9-151-5.1111.9D403R358-D403 IonicContact NE-OD1 3.01Å
359G47.1Very low71.1Confident32 Ų3266.9 Ų66.933%0.3338%0.381SS..  trans122.7125.9-179.500000110.6Q357Q357-G359 VanDerWaalsContact C-N 3.33Å; Q357-G359 PolarHBondContact O-N 2.77Å
360T47.1Very low70.9Confident153 Ų15369.6 Ų69.694%0.93939%0.388SS*.SBend-106-11.671.250.30000116.3
361S49.1Very low70.9Confident77 Ų7769.6 Ų69.654%0.53838%0.384SS..SBendtrans-107.949179.749.80000112.2T363 N364S361-T363 PolarHBondContact O-N 2.96Å; S361-N364 PolarHBondContact O-N 2.93Å
362S49.9Very low70.9Confident73 Ų7369.8 Ų69.851%0.5138%0.384SS..THydrogen-bonded Turntrans-56.7-22-170.751.80000115.4R370S362-R370 PolarHBondContact O-NH2 2.89Å; S362-R370 VanDerWaalsContact O-NH2 3.08Å
363T53.5Low70.9Confident136 Ų13669.2 Ų69.283%0.83438%0.382SS*.THydrogen-bonded Turntrans-72.5-19.3174.7-130000114.6S361S361-T363 PolarHBondContact O-N 2.96Å
364N57.9Low71.3Confident149 Ų14968.8 Ų68.880%0.79738%0.376SS*.SBendtrans-120.71.1-168-108.49.5000115.3S361 H366S361-N364 PolarHBondContact O-N 2.93Å; N364-H366 PolarHBondContact O-N 2.79Å
365E68.9Low71.8Confident36 Ų3669.1 Ų69.117%0.16838%0.377CS..  trans-64.9116.9171.5-83.8-166.4114.500110.8E367 R370 K373E365-E367 PolarHBondContact O-N 3.22Å; E365-R370 HydrophobicContact CB-CG 4.47Å; E365-R370 IonicContact OE2-CZ 2.7Å; E365-R370 IonicContact OE2-NE 3.77Å; E365-R370 PolarHBondContact OE2-NE 3.27Å; E365-R370 IonicContact OE2-NH2 3.05Å; E365-R370 PolarHBondContact OE2-NH2 2.92Å; E365-K373 IonicContact OE1-NZ 2.8Å; E365-K373 PolarHBondContact OE1-NZ 2.81Å
366H75.8Confident72.2Confident133 Ų13369.1 Ų69.162%0.61638%0.377SS*.  trans-64131.4177.5-16380.5000111.2N364 G368 S369 R370N364-H366 PolarHBondContact O-N 2.79Å; H366-G368 VanDerWaalsContact C-N 3.26Å; H366-G368 PolarHBondContact O-N 3.47Å; H366-G368 VanDerWaalsContact O-N 3.15Å; H366-S369 WeakPolarHBondContact O-CA 3.28Å; H366-S369 VanDerWaalsContact O-CB 3.27Å; H366-S369 WeakPolarHBondContact O-CB 3.46Å; H366-S369 PolarHBondContact O-N 3.32Å; H366-R370 PolarHBondContact O-N 3Å
367E80.8Confident73.1Confident80 Ų8069.2 Ų69.237%0.37437%0.374SS..Hα-helixtrans-55.2-38.8-173.2-167.9-161.2153.200113.2R324 E365 S369 R370 R371R324-E367 IonicContact CZ-OE2 2.71Å; R324-E367 VanDerWaalsContact CZ-OE2 3.28Å; R324-E367 IonicContact NH1-OE2 3.8Å; R324-E367 PolarHBondContact NH1-OE2 3.48Å; R324-E367 IonicContact NH2-OE1 3.64Å; R324-E367 IonicContact NH2-OE2 2.66Å; R324-E367 PolarHBondContact NH2-OE2 3.18Å; E365-E367 PolarHBondContact O-N 3.22Å; E367-S369 PolarHBondContact O-N 3Å; E367-R370 WeakPolarHBondContact O-CB 3.32Å; E367-R370 PolarHBondContact O-N 3.34Å; E367-R371 PolarHBondContact O-N 2.95Å; E367-R371 IonicContact OE1-CZ 3.38Å; E367-R371 VanDerWaalsContact OE1-CZ 3.29Å; E367-R371 IonicContact OE1-NE 2.62Å; E367-R371 PolarHBondContact OE1-NE 3.36Å; E367-R371 IonicContact OE1-NH2 2.68Å; E367-R371 PolarHBondContact OE1-NH2 3.39Å
368G80.1Confident74.4Confident22 Ų2269.4 Ų69.423%0.22738%0.376CS..Hα-helixtrans-59.2-32.6175.700000113.7H366 M372H366-G368 VanDerWaalsContact C-N 3.26Å; H366-G368 PolarHBondContact O-N 3.47Å; H366-G368 VanDerWaalsContact O-N 3.15Å; G368-M372 VanDerWaalsContact O-CB 3.3Å; G368-M372 WeakPolarHBondContact O-CB 3.22Å; G368-M372 PolarHBondContact O-N 2.89Å
369S82.6Confident75.9Confident37 Ų3764.1 Ų64.126%0.25936%0.357SS..Hα-helixtrans-66.9-43.5172.1-178.50000110.9H366 E367 R371 M372 K373H366-S369 WeakPolarHBondContact O-CA 3.28Å; H366-S369 VanDerWaalsContact O-CB 3.27Å; H366-S369 WeakPolarHBondContact O-CB 3.46Å; H366-S369 PolarHBondContact O-N 3.32Å; E367-S369 PolarHBondContact O-N 3Å; S369-R371 VanDerWaalsContact C-N 3.33Å; S369-R371 PolarHBondContact O-N 2.84Å; S369-M372 PolarHBondContact O-N 3.08Å; S369-K373 WeakPolarHBondContact O-CB 3.48Å; S369-K373 VanDerWaalsContact O-CG 3.26Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.93Å
370R84.6Confident78Confident91 Ų9163.1 Ų63.134%0.34334%0.344SS..Hα-helixtrans-62.5-37.5177.2-68.8-177.7170.21593.5112.8S362 E365 H366 E367 T374S362-R370 PolarHBondContact O-NH2 2.89Å; S362-R370 VanDerWaalsContact O-NH2 3.08Å; E365-R370 HydrophobicContact CB-CG 4.47Å; E365-R370 IonicContact OE2-CZ 2.7Å; E365-R370 IonicContact OE2-NE 3.77Å; E365-R370 PolarHBondContact OE2-NE 3.27Å; E365-R370 IonicContact OE2-NH2 3.05Å; E365-R370 PolarHBondContact OE2-NH2 2.92Å; H366-R370 PolarHBondContact O-N 3Å; E367-R370 WeakPolarHBondContact O-CB 3.32Å; E367-R370 PolarHBondContact O-N 3.34Å; R370-T374 WeakPolarHBondContact O-CB 3.39Å; R370-T374 PolarHBondContact O-N 3.23Å; R370-T374 VanDerWaalsContact O-N 3.13Å; R370-T374 PolarHBondContact O-OG1 3.5Å
371R87.6Confident80.1Confident106 Ų10659 Ų5940%0.432%0.317SS..Hα-helixtrans-68-49.1174.4-61.2-173.6-172-161.10.2111.8E328 E367 S369 K373 T374 E375E328-R371 VanDerWaalsContact OE2-CB 3.29Å; E328-R371 WeakPolarHBondContact OE2-CB 3.4Å; E328-R371 WeakPolarHBondContact OE2-CD 3.46Å; E328-R371 IonicContact OE2-NH1 3.29Å; E367-R371 PolarHBondContact O-N 2.95Å; E367-R371 IonicContact OE1-CZ 3.38Å; E367-R371 VanDerWaalsContact OE1-CZ 3.29Å; E367-R371 IonicContact OE1-NE 2.62Å; E367-R371 PolarHBondContact OE1-NE 3.36Å; E367-R371 IonicContact OE1-NH2 2.68Å; E367-R371 PolarHBondContact OE1-NH2 3.39Å; S369-R371 VanDerWaalsContact C-N 3.33Å; S369-R371 PolarHBondContact O-N 2.84Å; R371-K373 PolarHBondContact O-N 2.98Å; R371-T374 CarbonylContact O-C 3.6Å; R371-T374 WeakPolarHBondContact O-CA 3.24Å; R371-T374 WeakPolarHBondContact O-CB 3.33Å; R371-T374 PolarHBondContact O-N 2.99Å; R371-E375 PolarHBondContact O-N 3.32Å
372M88.2Confident81.9Confident4 Ų456.8 Ų56.82%0.0231%0.305CS..Hα-helixtrans-56.9-43.8174.8-178.5-167.769.200112.7I319 V320 V331 V354 G368 S369 T374 E375 L376I319-M372 HydrophobicContact CB-SD 4.16Å; I319-M372 HydrophobicContact CG2-CG 3.94Å; I319-M372 HydrophobicContact CG2-SD 3.6Å; I319-M372 VanDerWaalsContact CG2-SD 3.6Å; V320-M372 HydrophobicContact CG2-CE 3.88Å; V320-M372 HydrophobicContact CG2-SD 3.84Å; V331-M372 HydrophobicContact CG2-CG 3.98Å; V354-M372 HydrophobicContact CG1-CE 3.52Å; V354-M372 HydrophobicContact CG1-SD 4.39Å; G368-M372 VanDerWaalsContact O-CB 3.3Å; G368-M372 WeakPolarHBondContact O-CB 3.22Å; G368-M372 PolarHBondContact O-N 2.89Å; S369-M372 PolarHBondContact O-N 3.08Å; M372-T374 VanDerWaalsContact C-N 3.29Å; M372-T374 PolarHBondContact O-N 2.88Å; M372-E375 PolarHBondContact O-N 3.43Å; M372-L376 PolarHBondContact O-N 2.93Å; M372-L376 VanDerWaalsContact O-N 3.07Å
373K88.8Confident83.5Confident15 Ų1553.4 Ų53.47%0.06528%0.282CS..Hα-helixtrans-56.1-43171.7-74.3177.5-174.5-174.60111.6V354 M355 G356 E365 S369 R371 L377V354-K373 WeakPolarHBondContact O-CE 3.46Å; V354-K373 WeakPolarHBondContact O-CG 3.2Å; M355-K373 HydrophobicContact CE-CB 4.2Å; M355-K373 HydrophobicContact CE-CG 3.88Å; M355-K373 HydrophobicContact SD-CB 4.15Å; M355-K373 HydrophobicContact SD-CG 3.88Å; G356-K373 PolarHBondContact O-NZ 3.07Å; E365-K373 IonicContact OE1-NZ 2.8Å; E365-K373 PolarHBondContact OE1-NZ 2.81Å; S369-K373 WeakPolarHBondContact O-CB 3.48Å; S369-K373 VanDerWaalsContact O-CG 3.26Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.93Å; R371-K373 PolarHBondContact O-N 2.98Å; K373-L377 WeakPolarHBondContact O-CD1 3.41Å; K373-L377 VanDerWaalsContact O-CG 3.28Å; K373-L377 WeakPolarHBondContact O-CG 3.47Å; K373-L377 PolarHBondContact O-N 3.49Å
374T90.6Very high84.8Confident61 Ų6149.7 Ų49.737%0.37427%0.265SS..Hα-helixtrans-70.6-41.2-179.4-54.60000112R370 R371 M372 L377 I378R370-T374 WeakPolarHBondContact O-CB 3.39Å; R370-T374 PolarHBondContact O-N 3.23Å; R370-T374 VanDerWaalsContact O-N 3.13Å; R370-T374 PolarHBondContact O-OG1 3.5Å; R371-T374 CarbonylContact O-C 3.6Å; R371-T374 WeakPolarHBondContact O-CA 3.24Å; R371-T374 WeakPolarHBondContact O-CB 3.33Å; R371-T374 PolarHBondContact O-N 2.99Å; M372-T374 VanDerWaalsContact C-N 3.29Å; M372-T374 PolarHBondContact O-N 2.88Å; T374-L377 PolarHBondContact O-N 3.49Å; T374-I378 HydrophobicContact CG2-CD1 4.1Å; T374-I378 WeakPolarHBondContact O-CG1 3.43Å; T374-I378 PolarHBondContact O-N 2.99Å; T374-I378 VanDerWaalsContact O-N 3.13Å
375E92.1Very high85.9Confident12 Ų1248.6 Ų48.66%0.05626%0.263CS..Hα-helixtrans-64.7-39.6177.6-172.660.2-147.900112.4E328 V331 R332 R371 M372 L377 I378 Q379E328-E375 HydrophobicContact CB-CB 4.31Å; E328-E375 HydrophobicContact CB-CG 4.46Å; V331-E375 HydrophobicContact CB-CB 4.48Å; V331-E375 HydrophobicContact CB-CG 4.02Å; V331-E375 HydrophobicContact CG1-CB 4.31Å; V331-E375 HydrophobicContact CG1-CG 3.87Å; R332-E375 HydrophobicContact CG-CG 4.01Å; R332-E375 WeakPolarHBondContact CG-OE1 3.29Å; R332-E375 IonicContact CZ-OE1 3.28Å; R332-E375 IonicContact CZ-OE2 2.78Å; R332-E375 IonicContact NE-OE1 3.79Å; R332-E375 PolarHBondContact NE-OE1 3.49Å; R332-E375 IonicContact NE-OE2 2.76Å; R332-E375 PolarHBondContact NE-OE2 2.95Å; R332-E375 IonicContact NH2-OE1 2.68Å; R332-E375 IonicContact NH2-OE2 3.2Å; R332-E375 PolarHBondContact NH2-OE2 3.31Å; R371-E375 PolarHBondContact O-N 3.32Å; M372-E375 PolarHBondContact O-N 3.43Å; E375-L377 VanDerWaalsContact C-N 3.32Å; E375-L377 PolarHBondContact O-N 2.99Å; E375-I378 PolarHBondContact O-N 2.95Å; E375-Q379 HydrophobicContact CG-CG 4.49Å; E375-Q379 PolarHBondContact O-N 3.14Å; E375-Q379 PolarHBondContact OE1-NE2 3.41Å
376L91.9Very high86.4Confident2 Ų248.1 Ų48.11%0.0126%0.264CS..Hα-helixtrans-61.8-42177.2-172.567.4000111.6V331 F335 L348 M355 M372 I378 Q379 M380 M406V331-L376 HydrophobicContact CG1-CB 4.18Å; V331-L376 HydrophobicContact CG1-CD1 3.99Å; F335-L376 HydrophobicContact CE2-CD1 3.46Å; F335-L376 VanDerWaalsContact CE2-CD1 3.46Å; F335-L376 HydrophobicContact CZ-CD1 3.65Å; L348-L376 HydrophobicContact CD1-CD2 4.33Å; M355-L376 HydrophobicContact CE-CB 3.93Å; M355-L376 HydrophobicContact CE-CD2 3.34Å; M355-L376 HydrophobicContact CE-CG 4.26Å; M355-L376 HydrophobicContact CG-CD2 4.26Å; M355-L376 HydrophobicContact SD-CD2 3.97Å; M372-L376 PolarHBondContact O-N 2.93Å; M372-L376 VanDerWaalsContact O-N 3.07Å; L376-I378 VanDerWaalsContact C-N 3.32Å; L376-I378 PolarHBondContact O-N 3.43Å; L376-Q379 PolarHBondContact O-N 3.14Å; L376-M380 WeakPolarHBondContact O-CG 3.49Å; L376-M380 PolarHBondContact O-N 2.97Å; L376-M406 HydrophobicContact CD2-CE 3.9Å; L376-M406 HydrophobicContact CD2-SD 4.01Å; L376-M406 HydrophobicContact CG-SD 4.4Å
377L92Very high86.5Confident19 Ų1950.1 Ų50.110%0.09927%0.274CS..Hα-helixtrans-61.4-40.3176-65.5168.2000111.6K373 T374 E375 D381 G405 M406 R409K373-L377 WeakPolarHBondContact O-CD1 3.41Å; K373-L377 VanDerWaalsContact O-CG 3.28Å; K373-L377 WeakPolarHBondContact O-CG 3.47Å; K373-L377 PolarHBondContact O-N 3.49Å; T374-L377 PolarHBondContact O-N 3.49Å; E375-L377 VanDerWaalsContact C-N 3.32Å; E375-L377 PolarHBondContact O-N 2.99Å; L377-D381 VanDerWaalsContact O-CG 3.24Å; L377-D381 PolarHBondContact O-N 2.85Å; L377-D381 VanDerWaalsContact O-N 3.12Å; L377-G405 VanDerWaalsContact CD2-C 3.42Å; L377-M406 HydrophobicContact CD2-CG 3.86Å; L377-M406 HydrophobicContact CD2-SD 3.46Å; L377-M406 WeakPolarHBondContact CD2-SD 3.41Å; L377-M406 HydrophobicContact CG-SD 4.23Å; L377-R409 PolarHBondContact O-NE 3.47Å
378I93.1Very high86.5Confident86 Ų8649.1 Ų49.144%0.44127%0.271SS..Hα-helixtrans-66.6-46177-69165.5000111.1T374 E375 L376 M380 D381 G382T374-I378 HydrophobicContact CG2-CD1 4.1Å; T374-I378 WeakPolarHBondContact O-CG1 3.43Å; T374-I378 PolarHBondContact O-N 2.99Å; T374-I378 VanDerWaalsContact O-N 3.13Å; E375-I378 PolarHBondContact O-N 2.95Å; L376-I378 VanDerWaalsContact C-N 3.32Å; L376-I378 PolarHBondContact O-N 3.43Å; I378-M380 VanDerWaalsContact C-N 3.31Å; I378-M380 PolarHBondContact O-N 3.29Å; I378-D381 PolarHBondContact O-N 3.36Å; I378-G382 PolarHBondContact O-N 2.97Å
379Q92.5Very high86.8Confident22 Ų2251.7 Ų51.710%0.10328%0.279CS..Hα-helixtrans-65.2-34.7179.6-69.5-57.4-33.600112.6V331 F335 E375 L376 G382 L383V331-Q379 HydrophobicContact CG1-CG 4.14Å; F335-Q379 HydrophobicContact CB-CB 4.15Å; F335-Q379 HydrophobicContact CB-CG 4.23Å; F335-Q379 HydrophobicContact CD1-CB 3.62Å; F335-Q379 HydrophobicContact CD2-CB 4Å; F335-Q379 HydrophobicContact CD2-CG 4.41Å; F335-Q379 HydrophobicContact CE1-CB 3.92Å; F335-Q379 HydrophobicContact CE2-CB 4.29Å; F335-Q379 HydrophobicContact CG-CB 3.65Å; F335-Q379 HydrophobicContact CG-CG 4.17Å; F335-Q379 HydrophobicContact CZ-CB 4.25Å; E375-Q379 HydrophobicContact CG-CG 4.49Å; E375-Q379 PolarHBondContact O-N 3.14Å; E375-Q379 PolarHBondContact OE1-NE2 3.41Å; L376-Q379 PolarHBondContact O-N 3.14Å; Q379-G382 PolarHBondContact O-N 3.37Å; Q379-L383 PolarHBondContact O-N 3.41Å
380M91.4Very high87.1Confident12 Ų1250.1 Ų50.16%0.05927%0.268CS..Hα-helixtrans-66.7-39.3172.2-72.3-174.385.500113F335 L376 I378 G382 L383 A384 V392 M406 R409 L410F335-M380 HydrophobicContact CE1-CG 4.27Å; F335-M380 HydrophobicContact CZ-CG 4.23Å; L376-M380 WeakPolarHBondContact O-CG 3.49Å; L376-M380 PolarHBondContact O-N 2.97Å; I378-M380 VanDerWaalsContact C-N 3.31Å; I378-M380 PolarHBondContact O-N 3.29Å; M380-G382 VanDerWaalsContact C-N 3.3Å; M380-L383 PolarHBondContact O-N 3.09Å; M380-A384 PolarHBondContact O-N 2.92Å; M380-V392 HydrophobicContact CE-CB 4.25Å; M380-V392 HydrophobicContact CE-CG1 4.11Å; M380-M406 HydrophobicContact CE-CE 4.44Å; M380-M406 HydrophobicContact SD-CE 3.56Å; M380-M406 VanDerWaalsContact SD-CE 3.56Å; M380-M406 HydrophobicContact SD-SD 3.99Å; M380-R409 HydrophobicContact CB-CB 4.44Å; M380-R409 HydrophobicContact CB-CG 4.41Å; M380-R409 HydrophobicContact CE-CB 3.7Å; M380-R409 HydrophobicContact SD-CB 4.04Å; M380-L410 HydrophobicContact CE-CD2 3.97Å; M380-L410 HydrophobicContact CE-CG 4.4Å
381D89.9Confident87.4Confident67 Ų6746.6 Ų46.636%0.35826%0.255SS..Hα-helixtrans-65.2-36.9173.3-63.3-29000111.5L377 I378 A384 T385 R409L377-D381 VanDerWaalsContact O-CG 3.24Å; L377-D381 PolarHBondContact O-N 2.85Å; L377-D381 VanDerWaalsContact O-N 3.12Å; I378-D381 PolarHBondContact O-N 3.36Å; D381-A384 WeakPolarHBondContact O-CB 3.39Å; D381-A384 PolarHBondContact O-N 3.42Å; D381-T385 PolarHBondContact O-N 2.86Å; D381-T385 VanDerWaalsContact O-N 3.17Å; D381-T385 PolarHBondContact O-OG1 2.73Å; D381-R409 IonicContact OD1-CZ 3.7Å; D381-R409 IonicContact OD1-NE 2.85Å; D381-R409 PolarHBondContact OD1-NE 3.36Å; D381-R409 IonicContact OD1-NH2 2.71Å; D381-R409 PolarHBondContact OD1-NH2 3.02Å; D381-R409 IonicContact OD2-CZ 2.73Å; D381-R409 IonicContact OD2-NE 2.8Å; D381-R409 IonicContact OD2-NH2 2.72Å; D381-R409 PolarHBondContact OD2-NH2 3.31Å
382G87.1Confident87.7Confident29 Ų2941.6 Ų41.630%0.29924%0.236SC..Hα-helixtrans-58.9-47.1170.900000112.1I378 Q379 M380 A384 T385 S386I378-G382 PolarHBondContact O-N 2.97Å; Q379-G382 PolarHBondContact O-N 3.37Å; M380-G382 VanDerWaalsContact C-N 3.3Å; G382-A384 PolarHBondContact O-N 3.1Å; G382-T385 PolarHBondContact O-N 3.12Å; G382-S386 PolarHBondContact O-N 3.39Å; G382-S386 PolarHBondContact O-OG 2.96Å
383L84.8Confident87.9Confident3 Ų341.5 Ų41.52%0.01624%0.236CC..Hα-helixtrans-60.5-42.4173.2-71.4-169.1000112.5K282 F335 R339 Q379 M380 T385 S386 V390 V392K282-L383 WeakPolarHBondContact CD-O 3.19Å; K282-L383 WeakPolarHBondContact CE-O 3.4Å; K282-L383 PolarHBondContact NZ-O 3.45Å; F335-L383 HydrophobicContact CD1-CD1 3.71Å; F335-L383 HydrophobicContact CD1-CD2 4.37Å; F335-L383 HydrophobicContact CD1-CG 3.85Å; F335-L383 HydrophobicContact CE1-CD1 3.53Å; F335-L383 HydrophobicContact CE1-CG 4.01Å; R339-L383 HydrophobicContact CG-CD2 4.29Å; Q379-L383 PolarHBondContact O-N 3.41Å; M380-L383 PolarHBondContact O-N 3.09Å; L383-T385 PolarHBondContact O-N 2.98Å; L383-S386 WeakPolarHBondContact CA-OG 3.46Å; L383-S386 PolarHBondContact O-N 3.31Å; L383-S386 PolarHBondContact O-OG 2.84Å; L383-V390 HydrophobicContact CD1-CB 4.04Å; L383-V390 HydrophobicContact CD1-CG1 3.68Å; L383-V390 HydrophobicContact CD2-CB 3.86Å; L383-V390 HydrophobicContact CD2-CG1 4.17Å; L383-V390 HydrophobicContact CD2-CG2 4.35Å; L383-V392 HydrophobicContact CD1-CG2 3.81Å
384A79.3Confident88.1Confident57 Ų5740.8 Ų40.847%0.47123%0.233SC..Hα-helixtrans-55.5-38.6178.400000111.9K282 M380 D381 G382K282-A384 PolarHBondContact NZ-O 2.66Å; M380-A384 PolarHBondContact O-N 2.92Å; D381-A384 WeakPolarHBondContact O-CB 3.39Å; D381-A384 PolarHBondContact O-N 3.42Å; G382-A384 PolarHBondContact O-N 3.1Å
385T81.1Confident88.2Confident126 Ų12637.9 Ų37.977%0.77322%0.215SC*.Hα-helixtrans-84.1-33.8-177.8-47.30000113.4D381 G382 L383D381-T385 PolarHBondContact O-N 2.86Å; D381-T385 VanDerWaalsContact O-N 3.17Å; D381-T385 PolarHBondContact O-OG1 2.73Å; G382-T385 PolarHBondContact O-N 3.12Å; L383-T385 PolarHBondContact O-N 2.98Å
386S79.8Confident88.1Confident27 Ų2737.3 Ų37.319%0.18921%0.212CC..SBendtrans-72.9152.8179.861.30000113.6K282 G382 L383 D388K282-S386 PolarHBondContact NZ-O 3.04Å; G382-S386 PolarHBondContact O-N 3.39Å; G382-S386 PolarHBondContact O-OG 2.96Å; L383-S386 WeakPolarHBondContact CA-OG 3.46Å; L383-S386 PolarHBondContact O-N 3.31Å; L383-S386 PolarHBondContact O-OG 2.84Å; S386-D388 WeakPolarHBondContact CB-OD2 3.36Å; S386-D388 PolarHBondContact O-N 3.5Å; S386-D388 PolarHBondContact OG-OD2 2.89Å
387E78Confident88Confident174 Ų17438 Ų3881%0.81322%0.217SC*.  trans-79.34.9167-62.5-170.9175.600113.2L389E387-L389 PolarHBondContact O-N 3.44Å
388D81.6Confident87.8Confident59 Ų5939.8 Ų39.832%0.31623%0.226SC..  trans-58.8129.9-179.5-68.3-40.4000111.9R339 S386 V390R339-D388 VanDerWaalsContact CD-OD2 3.24Å; R339-D388 WeakPolarHBondContact CD-OD2 3.41Å; R339-D388 HydrophobicContact CG-CB 4.28Å; R339-D388 VanDerWaalsContact CG-OD2 3.31Å; R339-D388 WeakPolarHBondContact CG-OD2 3.35Å; R339-D388 IonicContact NE-OD2 3.14Å; R339-D388 PolarHBondContact NE-OD2 2.84Å; S386-D388 WeakPolarHBondContact CB-OD2 3.36Å; S386-D388 PolarHBondContact O-N 3.5Å; S386-D388 PolarHBondContact OG-OD2 2.89Å; D388-V390 HydrophobicContact CB-CG2 4.19Å; D388-V390 PolarHBondContact O-N 2.93Å
389L85.4Confident87.7Confident77 Ų7735.7 Ų35.740%0.40321%0.205SC..  trans-77.957.4176.1-61.5178.1000111.8F203 P343 S344 E387F203-L389 HydrophobicContact CE1-CD1 4.39Å; P343-L389 CarbonylContact C-O 3.6Å; P343-L389 VanDerWaalsContact CA-O 3.22Å; P343-L389 WeakPolarHBondContact CA-O 3.49Å; P343-L389 HydrophobicContact CB-CB 3.84Å; P343-L389 HydrophobicContact CB-CD1 4.41Å; S344-L389 PolarHBondContact N-O 3.34Å; E387-L389 PolarHBondContact O-N 3.44Å
390V89.6Confident87.5Confident4 Ų437.2 Ų37.22%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-114.5123.9176.9-177.50000109.2A338 R339 A342 S344 I346 L383 D388A338-V390 HydrophobicContact CB-CG1 3.88Å; A338-V390 HydrophobicContact CB-CG2 4.38Å; R339-V390 HydrophobicContact CG-CG2 4.18Å; A342-V390 HydrophobicContact CB-CG2 4.5Å; S344-V390 WeakPolarHBondContact O-CA 3.24Å; I346-V390 HydrophobicContact CD1-CG1 3.91Å; I346-V390 HydrophobicContact CG1-CG1 4.13Å; L383-V390 HydrophobicContact CD1-CB 4.04Å; L383-V390 HydrophobicContact CD1-CG1 3.68Å; L383-V390 HydrophobicContact CD2-CB 3.86Å; L383-V390 HydrophobicContact CD2-CG1 4.17Å; L383-V390 HydrophobicContact CD2-CG2 4.35Å; D388-V390 HydrophobicContact CB-CG2 4.19Å; D388-V390 PolarHBondContact O-N 2.93Å
391F90.5Very high87.3Confident16 Ų1640.7 Ų40.77%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-114.1134.5-178.9177.4-107.9000110.9V264 W281 L284 S344 T345 I346 L393V264-F391 HydrophobicContact CB-CE1 4.43Å; V264-F391 HydrophobicContact CG1-CD1 3.94Å; V264-F391 HydrophobicContact CG1-CE1 4.1Å; V264-F391 HydrophobicContact CG1-CG 4.27Å; V264-F391 HydrophobicContact CG2-CD1 4.1Å; V264-F391 HydrophobicContact CG2-CE1 3.41Å; V264-F391 VanDerWaalsContact CG2-CE1 3.41Å; V264-F391 HydrophobicContact CG2-CE2 3.98Å; V264-F391 HydrophobicContact CG2-CZ 3.33Å; W281-F391 VanDerWaalsContact O-CD2 3.27Å; W281-F391 WeakPolarHBondContact O-CD2 3.12Å; W281-F391 WeakPolarHBondContact O-CE2 3.3Å; L284-F391 HydrophobicContact CB-CE1 4.49Å; L284-F391 HydrophobicContact CB-CE2 4.1Å; L284-F391 HydrophobicContact CB-CZ 3.51Å; L284-F391 HydrophobicContact CD1-CZ 4.26Å; L284-F391 HydrophobicContact CG-CZ 4.48Å; S344-F391 PolarHBondContact O-N 3.23Å; T345-F391 WeakPolarHBondContact CA-O 3.46Å; T345-F391 HydrophobicContact CG2-CD1 4.21Å; I346-F391 PolarHBondContact N-O 2.84Å; F391-L393 HydrophobicContact CD1-CB 4.34Å; F391-L393 HydrophobicContact CE1-CB 3.85Å; F391-L393 HydrophobicContact CE1-CD1 4.2Å; F391-L393 HydrophobicContact CE1-CG 4.47Å
392V93.6Very high87.2Confident1 Ų137.5 Ų37.51%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-105.6118.5177.6-1760000110.2K282 G283 L284 F335 I346 L348 M380 L383K282-V392 PolarHBondContact O-N 3.39Å; G283-V392 WeakPolarHBondContact CA-O 3.38Å; L284-V392 PolarHBondContact N-O 3.07Å; F335-V392 HydrophobicContact CE1-CG2 4.16Å; F335-V392 HydrophobicContact CZ-CG2 4.31Å; I346-V392 HydrophobicContact CD1-CG2 4.48Å; L348-V392 HydrophobicContact CD1-CG1 3.83Å; M380-V392 HydrophobicContact CE-CB 4.25Å; M380-V392 HydrophobicContact CE-CG1 4.11Å; L383-V392 HydrophobicContact CD1-CG2 3.81Å
393L93.2Very high87.2Confident2 Ų237.4 Ų37.41%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-111.7112.6175.7-174.859.4000109.3L284 L286 A300 I346 F347 L348 F391L284-L393 HydrophobicContact CB-CD1 4.06Å; L284-L393 HydrophobicContact CD2-CD1 3.45Å; L284-L393 VanDerWaalsContact CD2-CD1 3.45Å; L284-L393 HydrophobicContact CG-CD1 4.3Å; L286-L393 HydrophobicContact CD1-CD1 4.05Å; L286-L393 HydrophobicContact CD1-CD2 4.4Å; L286-L393 HydrophobicContact CD1-CG 4.4Å; L286-L393 HydrophobicContact CG-CD1 3.93Å; A300-L393 HydrophobicContact CB-CD2 3.5Å; A300-L393 VanDerWaalsContact CB-CD2 3.5Å; A300-L393 HydrophobicContact CB-CG 4.47Å; I346-L393 PolarHBondContact O-N 3.45Å; F347-L393 CarbonylContact C-O 3.6Å; F347-L393 VanDerWaalsContact CA-O 3.29Å; F347-L393 WeakPolarHBondContact CA-O 3.36Å; F347-L393 HydrophobicContact CD2-CB 4.15Å; F347-L393 HydrophobicContact CD2-CD2 4.09Å; F347-L393 HydrophobicContact CD2-CG 3.92Å; F347-L393 VanDerWaalsContact CD2-O 3.29Å; F347-L393 WeakPolarHBondContact CD2-O 3.32Å; F347-L393 HydrophobicContact CE2-CG 4.36Å; L348-L393 PolarHBondContact N-O 3.02Å; F391-L393 HydrophobicContact CD1-CB 4.34Å; F391-L393 HydrophobicContact CE1-CB 3.85Å; F391-L393 HydrophobicContact CE1-CD1 4.2Å; F391-L393 HydrophobicContact CE1-CG 4.47Å
394A93.3Very high87.3Confident0 Ų043.3 Ų43.30%023%0.229CC..EExtended strand (participates in β ladder)trans-97141.217400000111L284 L285 L286 L348 L351 L410L284-A394 PolarHBondContact O-N 3.39Å; L285-A394 HydrophobicContact CD1-CB 3.87Å; L286-A394 PolarHBondContact N-O 2.91Å; L348-A394 WeakPolarHBondContact O-CA 3.4Å; L351-A394 HydrophobicContact CD2-CB 3.7Å; A394-L410 HydrophobicContact CB-CD1 3.89Å; A394-L410 HydrophobicContact CB-CD2 3.91Å
395A92.3Very high87.7Confident0 Ų041.5 Ų41.50%022%0.215CC..EExtended strand (participates in β ladder)trans-110.7140.8160.200000109.9L286 K296 F347 L348 D349 E350 L351L286-A395 WeakPolarHBondContact O-CA 3.32Å; K296-A395 HydrophobicContact CB-CB 4.42Å; F347-A395 HydrophobicContact CE2-CB 3.74Å; F347-A395 HydrophobicContact CZ-CB 3.7Å; L348-A395 PolarHBondContact O-N 3.34Å; D349-A395 WeakPolarHBondContact OD1-CB 3.25Å; E350-A395 PolarHBondContact N-O 2.64Å; L351-A395 WeakPolarHBondContact CB-O 3.34Å; L351-A395 PolarHBondContact N-O 3.35Å
396S90.5Very high88.1Confident0 Ų035.5 Ų35.50%018%0.178CC..EExtended strand (participates in β ladder)trans-146.2144.9175.1-1770000111.7L286 Y287 G288 E352 L398L286-S396 PolarHBondContact O-N 3.35Å; Y287-S396 WeakPolarHBondContact CA-O 3.04Å; G288-S396 PolarHBondContact N-O 3.05Å; E352-S396 WeakPolarHBondContact OE2-CA 3.37Å; E352-S396 WeakPolarHBondContact OE2-CB 3.41Å; E352-S396 PolarHBondContact OE2-OG 3.27Å; S396-L398 PolarHBondContact OG-N 3.15Å
397N89.2Confident88.6Confident18 Ų1834.5 Ų34.510%0.09617%0.171CC..SBendtrans-101.1-22174.2-43.5-75.8000111.7G288 P290 K296 E352 P399 Y524G288-N397 WeakPolarHBondContact O-CA 3.2Å; P290-N397 WeakPolarHBondContact CA-OD1 3.24Å; P290-N397 HydrophobicContact CB-CB 3.95Å; K296-N397 WeakPolarHBondContact CE-OD1 3.49Å; K296-N397 PolarHBondContact NZ-OD1 3.41Å; E352-N397 WeakPolarHBondContact OE1-CA 3.49Å; E352-N397 VanDerWaalsContact OE1-CB 3.24Å; E352-N397 WeakPolarHBondContact OE1-CB 3.4Å; E352-N397 PolarHBondContact OE1-N 2.98Å; E352-N397 PolarHBondContact OE1-ND2 3.14Å; E352-N397 PolarHBondContact OE2-N 3.38Å; E352-N397 VanDerWaalsContact OE2-N 3.17Å; N397-P399 VanDerWaalsContact C-CD 3.42Å; N397-P399 VanDerWaalsContact O-CD 3.25Å; N397-P399 WeakPolarHBondContact O-CD 3.29Å; N397-Y524 WeakPolarHBondContact O-CE1 3.5Å; N397-Y524 PolarHBondContact O-OH 3.13Å
398L88.8Confident89.1Confident56 Ų5636.2 Ų36.229%0.29317%0.17SC..  trans-119.765.1-176.3-56.3176.8000111.2E352 S396 W400 E401E352-L398 HydrophobicContact CB-CB 4.11Å; E352-L398 HydrophobicContact CG-CB 4.16Å; E352-L398 HydrophobicContact CG-CD1 4.25Å; E352-L398 HydrophobicContact CG-CG 4.33Å; S396-L398 PolarHBondContact OG-N 3.15Å; L398-W400 HydrophobicContact CD2-CH2 4.2Å; L398-W400 HydrophobicContact CD2-CZ2 3.44Å; L398-W400 VanDerWaalsContact CD2-CZ2 3.44Å; L398-W400 PolarHBondContact O-N 3.5Å; L398-W400 VanDerWaalsContact O-N 3.12Å; L398-E401 HydrophobicContact CB-CB 4.26Å; L398-E401 HydrophobicContact CB-CG 4.02Å; L398-E401 PolarHBondContact O-N 2.93Å
399P89.1Confident89.6Confident0 Ų036 Ų360%016%0.164CC..THydrogen-bonded Turntrans-67.1-17.6-171.730.7-38.8000113.8Y287 N397 E401 L402 Y524 W527Y287-P399 HydrophobicContact CD2-CB 4.25Å; Y287-P399 HydrophobicContact CD2-CG 3.88Å; Y287-P399 HydrophobicContact CG-CB 4.23Å; Y287-P399 HydrophobicContact CG-CG 4.3Å; N397-P399 VanDerWaalsContact C-CD 3.42Å; N397-P399 VanDerWaalsContact O-CD 3.25Å; N397-P399 WeakPolarHBondContact O-CD 3.29Å; P399-E401 VanDerWaalsContact C-N 3.28Å; P399-L402 HydrophobicContact CB-CD1 4.48Å; P399-Y524 HydrophobicContact CG-CD1 4.12Å; P399-Y524 HydrophobicContact CG-CE1 4.02Å; P399-W527 HydrophobicContact CB-CD2 4.08Å; P399-W527 HydrophobicContact CB-CE3 4.29Å; P399-W527 HydrophobicContact CB-CH2 4.01Å; P399-W527 HydrophobicContact CB-CZ2 3.77Å; P399-W527 HydrophobicContact CB-CZ3 4.26Å; P399-W527 HydrophobicContact CG-CD2 4.15Å; P399-W527 HydrophobicContact CG-CE3 4.4Å; P399-W527 HydrophobicContact CG-CG 4.46Å; P399-W527 WeakPolarHBondContact O-CZ2 3.23Å; P399-W527 PolarHBondContact O-NE1 2.97Å; P399-W527 VanDerWaalsContact O-NE1 3.14Å
400W88.9Confident89.9Confident53 Ų5332.3 Ų32.320%0.20115%0.145CC..THydrogen-bonded Turntrans-74.5-14.6170.953.379.7000113.6Q357 L398 R523 Y524Q357-W400 PolarHBondContact NE2-O 2.79Å; L398-W400 HydrophobicContact CD2-CH2 4.2Å; L398-W400 HydrophobicContact CD2-CZ2 3.44Å; L398-W400 VanDerWaalsContact CD2-CZ2 3.44Å; L398-W400 PolarHBondContact O-N 3.5Å; L398-W400 VanDerWaalsContact O-N 3.12Å; W400-R523 HydrophobicContact CH2-CB 4.37Å; W400-R523 HydrophobicContact CZ3-CB 3.99Å; W400-Y524 AromaticContact CH2-CE1 3.93Å; W400-Y524 HydrophobicContact CH2-CE1 3.93Å; W400-Y524 HydrophobicContact CH2-CE2 4.48Å; W400-Y524 AromaticContact CH2-CZ 3.83Å; W400-Y524 AromaticContact CZ3-CD1 3.87Å; W400-Y524 HydrophobicContact CZ3-CD1 3.87Å; W400-Y524 AromaticContact CZ3-CE1 3.56Å; W400-Y524 HydrophobicContact CZ3-CE1 3.56Å; W400-Y524 HydrophobicContact CZ3-CG 4.47Å; W400-Y524 AromaticContact CZ3-CZ 3.91Å
401E88.1Confident89.8Confident85 Ų8535.5 Ų35.540%0.39716%0.16SC..SBendtrans-98.4-7178.9-53.5-176.8-164.600112.2G356 Q357 L398 P399G356-E401 CarbonylContact C-O 3.15Å; G356-E401 VanDerWaalsContact CA-O 3.29Å; G356-E401 WeakPolarHBondContact CA-O 3.19Å; Q357-E401 WeakPolarHBondContact CG-O 3.02Å; Q357-E401 PolarHBondContact N-O 3.4Å; L398-E401 HydrophobicContact CB-CB 4.26Å; L398-E401 HydrophobicContact CB-CG 4.02Å; L398-E401 PolarHBondContact O-N 2.93Å; P399-E401 VanDerWaalsContact C-N 3.28Å
402L88.2Confident89.8Confident0 Ų035 Ų350%016%0.158CC..BIsolated β-bridgetrans-70.8137.9178.7-66.3176000112.1L285 L351 E352 M355 Q357 P399 L407L285-L402 HydrophobicContact CD1-CD1 4.12Å; L285-L402 HydrophobicContact CD2-CD1 3.72Å; L351-L402 HydrophobicContact CB-CD2 4.14Å; L351-L402 HydrophobicContact CD2-CD1 4.44Å; L351-L402 HydrophobicContact CD2-CD2 3.89Å; L351-L402 HydrophobicContact CG-CD2 3.87Å; E352-L402 HydrophobicContact CB-CD2 4.48Å; M355-L402 HydrophobicContact CB-CD2 4.45Å; Q357-L402 PolarHBondContact NE2-O 3.44Å; P399-L402 HydrophobicContact CB-CD1 4.48Å; L402-L407 HydrophobicContact CB-CD1 4.31Å; L402-L407 HydrophobicContact CB-CD2 4.16Å; L402-L407 HydrophobicContact CB-CG 4.08Å; L402-L407 HydrophobicContact CD1-CD2 4.01Å
403D86.6Confident89.7Confident27 Ų2737.1 Ų37.114%0.14417%0.166CC..  trans-60.4137.2174.2-175.994.6000112.3M355 R358 G405 M406 L407M355-D403 PolarHBondContact O-N 3Å; R358-D403 IonicContact NE-OD1 3.01Å; D403-G405 PolarHBondContact O-N 2.91Å; D403-G405 VanDerWaalsContact OD2-CA 3.3Å; D403-G405 WeakPolarHBondContact OD2-CA 3.49Å; D403-G405 PolarHBondContact OD2-N 3.1Å; D403-M406 WeakPolarHBondContact O-CB 3.27Å; D403-M406 PolarHBondContact O-N 3.48Å; D403-L407 PolarHBondContact O-N 2.98Å
404H86.8Confident89.6Confident128 Ų12837.3 Ų37.359%0.59317%0.167SC*.Hα-helixtrans-62.1-26.1-178.6-72.5-51.5000113.8L407 R408H404-L407 PolarHBondContact O-N 2.83Å; H404-R408 PolarHBondContact O-N 3.28Å
405G87.9Confident89.5Confident18 Ų1838.7 Ų38.719%0.18617%0.174CC..Hα-helixtrans-65.4-39172.300000112.6L377 D403 R409L377-G405 VanDerWaalsContact CD2-C 3.42Å; D403-G405 PolarHBondContact O-N 2.91Å; D403-G405 VanDerWaalsContact OD2-CA 3.3Å; D403-G405 WeakPolarHBondContact OD2-CA 3.49Å; D403-G405 PolarHBondContact OD2-N 3.1Å; G405-R409 WeakPolarHBondContact O-CD 3.35Å; G405-R409 PolarHBondContact O-NH1 2.96Å
406M89.1Confident89.4Confident0 Ų038.7 Ų38.70%017%0.174CC..Hα-helixtrans-70-45.6172.6-73.8-60.4-60.500110.9L351 M355 L376 L377 M380 D403 R408 R409 L410L351-M406 HydrophobicContact CD1-CE 4.27Å; L351-M406 HydrophobicContact CD2-CE 4.06Å; M355-M406 HydrophobicContact CB-CG 3.85Å; M355-M406 HydrophobicContact CG-CE 4.28Å; M355-M406 HydrophobicContact CG-CG 3.66Å; M355-M406 HydrophobicContact CG-SD 4.08Å; M355-M406 HydrophobicContact SD-CG 3.67Å; M355-M406 HydrophobicContact SD-SD 3.82Å; L376-M406 HydrophobicContact CD2-CE 3.9Å; L376-M406 HydrophobicContact CD2-SD 4.01Å; L376-M406 HydrophobicContact CG-SD 4.4Å; L377-M406 HydrophobicContact CD2-CG 3.86Å; L377-M406 HydrophobicContact CD2-SD 3.46Å; L377-M406 WeakPolarHBondContact CD2-SD 3.41Å; L377-M406 HydrophobicContact CG-SD 4.23Å; M380-M406 HydrophobicContact CE-CE 4.44Å; M380-M406 HydrophobicContact SD-CE 3.56Å; M380-M406 VanDerWaalsContact SD-CE 3.56Å; M380-M406 HydrophobicContact SD-SD 3.99Å; D403-M406 WeakPolarHBondContact O-CB 3.27Å; D403-M406 PolarHBondContact O-N 3.48Å; M406-R408 PolarHBondContact O-N 3.27Å; M406-R409 PolarHBondContact O-N 3.07Å; M406-L410 HydrophobicContact CE-CD1 4.27Å; M406-L410 WeakPolarHBondContact O-CG 3.26Å; M406-L410 PolarHBondContact O-N 2.6Å
407L89.9Confident89.2Confident7 Ų739.5 Ų39.54%0.03718%0.182CC..Hα-helixtrans-58.8-31.6178-69.3172000112.6L285 L402 D403 H404 R409 R413 W527L285-L407 HydrophobicContact CD2-CD2 3.9Å; L402-L407 HydrophobicContact CB-CD1 4.31Å; L402-L407 HydrophobicContact CB-CD2 4.16Å; L402-L407 HydrophobicContact CB-CG 4.08Å; L402-L407 HydrophobicContact CD1-CD2 4.01Å; D403-L407 PolarHBondContact O-N 2.98Å; H404-L407 PolarHBondContact O-N 2.83Å; L407-R409 VanDerWaalsContact C-N 3.34Å; L407-R413 PolarHBondContact O-NE 3.26Å; L407-R413 PolarHBondContact O-NH2 3.44Å; L407-W527 HydrophobicContact CD1-CZ2 4.25Å; L407-W527 HydrophobicContact CD2-CH2 4.11Å; L407-W527 HydrophobicContact CD2-CZ2 3.88Å
408R89.5Confident89.1Confident210 Ų21040.7 Ų40.779%0.79219%0.188SC*.Hα-helixtrans-67-30.9173.6-179.1174.8174.4-179.8-2.3113.6H404 M406H404-R408 PolarHBondContact O-N 3.28Å; M406-R408 PolarHBondContact O-N 3.27Å
409R91.4Very high89.1Confident53 Ų5338.7 Ų38.720%0.218%0.179CC..Hα-helixtrans-93.2-18.7-178-67.2160.8173.375.47.1113.1L377 M380 D381 G405 M406 L407 E411L377-R409 PolarHBondContact O-NE 3.47Å; M380-R409 HydrophobicContact CB-CB 4.44Å; M380-R409 HydrophobicContact CB-CG 4.41Å; M380-R409 HydrophobicContact CE-CB 3.7Å; M380-R409 HydrophobicContact SD-CB 4.04Å; D381-R409 IonicContact OD1-CZ 3.7Å; D381-R409 IonicContact OD1-NE 2.85Å; D381-R409 PolarHBondContact OD1-NE 3.36Å; D381-R409 IonicContact OD1-NH2 2.71Å; D381-R409 PolarHBondContact OD1-NH2 3.02Å; D381-R409 IonicContact OD2-CZ 2.73Å; D381-R409 IonicContact OD2-NE 2.8Å; D381-R409 IonicContact OD2-NH2 2.72Å; D381-R409 PolarHBondContact OD2-NH2 3.31Å; G405-R409 WeakPolarHBondContact O-CD 3.35Å; G405-R409 PolarHBondContact O-NH1 2.96Å; M406-R409 PolarHBondContact O-N 3.07Å; L407-R409 VanDerWaalsContact C-N 3.34Å; R409-E411 PolarHBondContact O-N 2.89Å
410L91.5Very high89.1Confident0 Ų041.4 Ų41.40%020%0.198CC..  trans-91.481169.9-62.7169.4000107.9L285 L351 M380 A394 M406 R413L285-L410 HydrophobicContact CB-CB 4.01Å; L285-L410 HydrophobicContact CB-CD1 4.17Å; L285-L410 HydrophobicContact CD1-CD1 4.3Å; L351-L410 HydrophobicContact CD2-CD1 3.67Å; M380-L410 HydrophobicContact CE-CD2 3.97Å; M380-L410 HydrophobicContact CE-CG 4.4Å; A394-L410 HydrophobicContact CB-CD1 3.89Å; A394-L410 HydrophobicContact CB-CD2 3.91Å; M406-L410 HydrophobicContact CE-CD1 4.27Å; M406-L410 WeakPolarHBondContact O-CG 3.26Å; M406-L410 PolarHBondContact O-N 2.6Å; L410-R413 WeakPolarHBondContact O-CG 3.29Å; L410-R413 PolarHBondContact O-NE 3.38Å; L410-R413 VanDerWaalsContact O-NE 3.17Å
411E88.1Confident89.2Confident72 Ų7240.7 Ų40.734%0.33620%0.201SC..  trans-62.8-61.1-167.3-57164.1124.100111W281 K282 G283 R409 S533W281-E411 WeakPolarHBondContact CA-OE2 3.43Å; W281-E411 HydrophobicContact CE3-CB 3.49Å; W281-E411 VanDerWaalsContact CE3-CB 3.49Å; W281-E411 HydrophobicContact CE3-CG 4.31Å; W281-E411 HydrophobicContact CZ3-CB 3.84Å; K282-E411 PolarHBondContact N-OE2 2.93Å; G283-E411 PolarHBondContact N-OE2 3.3Å; G283-E411 PolarHBondContact O-N 3.39Å; R409-E411 PolarHBondContact O-N 2.89Å; E411-S533 WeakPolarHBondContact O-CB 3.32Å; E411-S533 PolarHBondContact O-OG 3.23Å
412K90.1Very high89.4Confident6 Ų640.9 Ų40.93%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-86.9130.8175.1-160.9173.3-172.1175.70109.3L259 E262 A263 W281 G283 L284 L285 I414 V534L259-K412 PolarHBondContact O-NZ 3.23Å; E262-K412 IonicContact OE2-NZ 3.74Å; E262-K412 PolarHBondContact OE2-NZ 2.83Å; A263-K412 HydrophobicContact CB-CD 3.97Å; W281-K412 HydrophobicContact CD2-CB 4.47Å; G283-K412 PolarHBondContact O-N 3.47Å; L284-K412 VanDerWaalsContact CA-O 3.32Å; L284-K412 WeakPolarHBondContact CA-O 3.21Å; L284-K412 HydrophobicContact CD1-CB 4.21Å; L284-K412 HydrophobicContact CD1-CD 4.31Å; L284-K412 HydrophobicContact CD1-CG 4.48Å; L284-K412 HydrophobicContact CG-CB 4.27Å; L285-K412 PolarHBondContact N-O 3.46Å; K412-I414 HydrophobicContact CG-CG1 4.42Å; K412-V534 HydrophobicContact CG-CG2 4.33Å
413R92.1Very high89.6Confident45 Ų4541.1 Ų41.117%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-127.4121-177.4-48.5-174.7-163.41261.4109.1L285 Y287 L407 L410 H531L285-R413 HydrophobicContact CB-CB 4.45Å; L285-R413 HydrophobicContact CB-CG 4.31Å; L285-R413 WeakPolarHBondContact O-CA 3.01Å; Y287-R413 HydrophobicContact CD1-CB 4.39Å; Y287-R413 HydrophobicContact CE1-CB 3.98Å; L407-R413 PolarHBondContact O-NE 3.26Å; L407-R413 PolarHBondContact O-NH2 3.44Å; L410-R413 WeakPolarHBondContact O-CG 3.29Å; L410-R413 PolarHBondContact O-NE 3.38Å; L410-R413 VanDerWaalsContact O-NE 3.17Å; R413-H531 PolarHBondContact NH1-O 3.05Å
414I91.3Very high89.8Confident5 Ų540.5 Ų40.53%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-120.5122.5-171-59.8175.2000109.4A256 L259 V260 L284 L285 L286 Y287 K412 V416A256-I414 HydrophobicContact CB-CG2 3.83Å; L259-I414 HydrophobicContact CB-CD1 3.5Å; L259-I414 VanDerWaalsContact CB-CD1 3.5Å; L259-I414 HydrophobicContact CB-CG1 4.11Å; L259-I414 HydrophobicContact CD1-CG1 4.35Å; L259-I414 HydrophobicContact CD1-CG2 4.29Å; V260-I414 HydrophobicContact CG2-CD1 3.57Å; L284-I414 HydrophobicContact CD1-CD1 3.9Å; L284-I414 HydrophobicContact CD2-CD1 4.04Å; L284-I414 HydrophobicContact CD2-CG1 4.49Å; L284-I414 HydrophobicContact CG-CD1 4.33Å; L285-I414 PolarHBondContact O-N 3.09Å; L286-I414 HydrophobicContact CD2-CB 4.23Å; Y287-I414 VanDerWaalsContact CD1-O 3.26Å; Y287-I414 WeakPolarHBondContact CD1-O 3.24Å; Y287-I414 PolarHBondContact N-O 3Å; K412-I414 HydrophobicContact CG-CG1 4.42Å; I414-V416 PolarHBondContact O-N 3.27Å
415L90.1Very high90.1Very high30 Ų3038.2 Ų38.216%0.15720%0.197CC..EExtended strand (participates in β ladder)trans-74.2117.617017754.2000109.4Y287 G417 M521Y287-L415 HydrophobicContact CD2-CD1 4.02Å; Y287-L415 HydrophobicContact CE1-CB 4.33Å; Y287-L415 HydrophobicContact CE2-CB 3.92Å; Y287-L415 HydrophobicContact CE2-CD1 3.8Å; Y287-L415 HydrophobicContact CE2-CG 4.34Å; Y287-L415 CarbonylContact O-C 3.54Å; Y287-L415 WeakPolarHBondContact O-CA 3.43Å; L415-G417 PolarHBondContact O-N 3.27Å; L415-M521 HydrophobicContact CD2-CE 4.11Å
416V89.8Confident90.3Very high0 Ų039.6 Ų39.60%021%0.206CC..  trans-95.185.8169.1-174.80000107L253 L286 Y287 T294 K296 I414L253-V416 HydrophobicContact CD1-CG1 3.9Å; L253-V416 HydrophobicContact CD2-CG1 4Å; L286-V416 HydrophobicContact CB-CG2 4.21Å; L286-V416 HydrophobicContact CD2-CG2 4.1Å; Y287-V416 PolarHBondContact O-N 3.29Å; T294-V416 WeakPolarHBondContact O-CG1 3.28Å; K296-V416 HydrophobicContact CD-CB 4.4Å; K296-V416 HydrophobicContact CG-CB 3.95Å; K296-V416 HydrophobicContact CG-CG1 3.98Å; K296-V416 HydrophobicContact CG-CG2 4.14Å; I414-V416 PolarHBondContact O-N 3.27Å
417G86.5Confident90.4Very high17 Ų1740.8 Ų40.818%0.17521%0.212CC..  trans-78-173.2-176.600000114.5L415L415-G417 PolarHBondContact O-N 3.27Å
418L86.7Confident90.5Very high42 Ų4240.5 Ų40.522%0.2221%0.21CC..PPolyproline II helixtrans-70.7153.4175.4-64174.7000111.7P289P289-L418 HydrophobicContact CG-CD2 4.16Å
419P88.4Confident90.6Very high14 Ų1432.9 Ų32.99%0.09119%0.189CC..PPolyproline II helixtrans-64.8134.218025.5-34.3000112.8A423 R424 M427 Y459 I464P419-A423 HydrophobicContact CB-CB 3.97Å; P419-R424 HydrophobicContact CB-CG 3.85Å; P419-R424 HydrophobicContact CG-CG 3.81Å; P419-R424 PolarHBondContact O-NH1 2.95Å; P419-M427 HydrophobicContact CB-CE 4.01Å; P419-M427 HydrophobicContact CB-SD 4.17Å; P419-M427 HydrophobicContact CG-SD 4.3Å; P419-Y459 WeakPolarHBondContact CD-O 3.26Å; P419-I464 HydrophobicContact CG-CD1 3.85Å
420S89.9Confident90.5Very high58 Ų5836 Ų3641%0.40621%0.206SC..PPolyproline II helixtrans-64.7157.6169.760.50000111.3A423 R424S420-A423 CarbonylContact O-C 3.6Å; S420-A423 WeakPolarHBondContact O-CA 3.33Å; S420-A423 WeakPolarHBondContact O-CB 3.37Å; S420-A423 PolarHBondContact O-N 3.28Å; S420-R424 WeakPolarHBondContact O-CG 3.31Å; S420-R424 PolarHBondContact O-N 2.99Å
421S91.5Very high90.4Very high38 Ų3841.5 Ų41.527%0.26623%0.227SC..Hα-helixtrans-49.6-46.9-179.91670000113.8A423 R424 Q425S421-A423 VanDerWaalsContact C-N 3.31Å; S421-A423 PolarHBondContact O-N 3.49Å; S421-R424 WeakPolarHBondContact O-CB 3.46Å; S421-R424 PolarHBondContact O-N 3.4Å; S421-R424 VanDerWaalsContact O-N 3.1Å; S421-Q425 PolarHBondContact O-N 3.04Å
422P92.3Very high90.4Very high88 Ų8838.3 Ų38.357%0.57121%0.212SC*.Hα-helixtrans-60.6-35.6174.3-2535.4000114.1A426P422-A426 WeakPolarHBondContact O-CB 3.44Å; P422-A426 PolarHBondContact O-N 2.98Å; P422-A426 VanDerWaalsContact O-N 3.08Å
423A91.3Very high90.2Very high5 Ų539.7 Ų39.74%0.04122%0.222CC..Hα-helixtrans-70.5-37.3174.600000111.8P419 S420 S421 A426 M427P419-A423 HydrophobicContact CB-CB 3.97Å; S420-A423 CarbonylContact O-C 3.6Å; S420-A423 WeakPolarHBondContact O-CA 3.33Å; S420-A423 WeakPolarHBondContact O-CB 3.37Å; S420-A423 PolarHBondContact O-N 3.28Å; S421-A423 VanDerWaalsContact C-N 3.31Å; S421-A423 PolarHBondContact O-N 3.49Å; A423-A426 PolarHBondContact O-N 2.86Å; A423-M427 WeakPolarHBondContact O-CB 3.47Å; A423-M427 VanDerWaalsContact O-CG 3.24Å; A423-M427 WeakPolarHBondContact O-CG 3.18Å; A423-M427 PolarHBondContact O-N 3.2Å
424R91.9Very high89.8Confident14 Ų1441.1 Ų41.15%0.05324%0.237CC..Hα-helixtrans-62.6-47173.4-62-167.7-64.3-113.522.1110.9P419 S420 S421 A426 M427 I428 A453 M456 E457 I464P419-R424 HydrophobicContact CB-CG 3.85Å; P419-R424 HydrophobicContact CG-CG 3.81Å; P419-R424 PolarHBondContact O-NH1 2.95Å; S420-R424 WeakPolarHBondContact O-CG 3.31Å; S420-R424 PolarHBondContact O-N 2.99Å; S421-R424 WeakPolarHBondContact O-CB 3.46Å; S421-R424 PolarHBondContact O-N 3.4Å; S421-R424 VanDerWaalsContact O-N 3.1Å; R424-A426 VanDerWaalsContact C-N 3.35Å; R424-A426 PolarHBondContact O-N 3.02Å; R424-M427 PolarHBondContact O-N 2.93Å; R424-M427 VanDerWaalsContact O-N 3.16Å; R424-I428 VanDerWaalsContact O-CG1 3.3Å; R424-I428 WeakPolarHBondContact O-CG1 3.41Å; R424-I428 PolarHBondContact O-N 2.55Å; R424-A453 HydrophobicContact CB-CB 4.03Å; R424-A453 VanDerWaalsContact CZ-O 3.27Å; R424-A453 PolarHBondContact NE-O 2.89Å; R424-A453 PolarHBondContact NH2-O 2.93Å; R424-M456 WeakPolarHBondContact CD-O 3.41Å; R424-M456 PolarHBondContact NE-O 2.88Å; R424-E457 IonicContact CZ-OE1 2.78Å; R424-E457 IonicContact NH1-OE1 2.7Å; R424-E457 PolarHBondContact NH1-OE1 3.39Å; R424-E457 IonicContact NH2-OE1 3.35Å; R424-E457 PolarHBondContact NH2-OE1 3.26Å; R424-I464 HydrophobicContact CB-CD1 4.27Å; R424-I464 HydrophobicContact CG-CD1 3.88Å
425Q93.3Very high89.2Confident81 Ų8145.4 Ų45.438%0.37926%0.259SS..Hα-helixtrans-54.5-49.3175-171-176.21200111.5S421 I428 S429 A453S421-Q425 PolarHBondContact O-N 3.04Å; Q425-I428 PolarHBondContact O-N 3.37Å; Q425-S429 WeakPolarHBondContact O-CB 3.38Å; Q425-S429 PolarHBondContact O-N 3Å; Q425-A453 HydrophobicContact CB-CB 3.84Å
426A92.1Very high88.6Confident46 Ų4645.5 Ų45.538%0.3826%0.263SS..Hα-helixtrans-66-36.4177.800000113.1I251 P422 A423 R424 H430I251-A426 HydrophobicContact CG2-CB 3.56Å; P422-A426 WeakPolarHBondContact O-CB 3.44Å; P422-A426 PolarHBondContact O-N 2.98Å; P422-A426 VanDerWaalsContact O-N 3.08Å; A423-A426 PolarHBondContact O-N 2.86Å; R424-A426 VanDerWaalsContact C-N 3.35Å; R424-A426 PolarHBondContact O-N 3.02Å; A426-H430 WeakPolarHBondContact O-CB 3.47Å; A426-H430 PolarHBondContact O-N 3.17Å
427M91.2Very high87.6Confident26 Ų2652.6 Ų52.613%0.12829%0.294CS..Hα-helixtrans-65.4-44.7174.6-74.4176.6-169.900112I251 P419 A423 R424 H430 W431 I464I251-M427 HydrophobicContact CB-CE 4.11Å; I251-M427 HydrophobicContact CB-CG 3.97Å; I251-M427 HydrophobicContact CD1-CG 4.12Å; I251-M427 HydrophobicContact CG2-CE 4.27Å; I251-M427 HydrophobicContact CG2-CG 3.75Å; I251-M427 WeakPolarHBondContact O-CE 3.41Å; P419-M427 HydrophobicContact CB-CE 4.01Å; P419-M427 HydrophobicContact CB-SD 4.17Å; P419-M427 HydrophobicContact CG-SD 4.3Å; A423-M427 WeakPolarHBondContact O-CB 3.47Å; A423-M427 VanDerWaalsContact O-CG 3.24Å; A423-M427 WeakPolarHBondContact O-CG 3.18Å; A423-M427 PolarHBondContact O-N 3.2Å; R424-M427 PolarHBondContact O-N 2.93Å; R424-M427 VanDerWaalsContact O-N 3.16Å; M427-H430 PolarHBondContact O-N 3.28Å; M427-W431 PolarHBondContact O-N 3.34Å; M427-I464 HydrophobicContact CB-CG2 4.04Å; M427-I464 HydrophobicContact SD-CD1 4.01Å
428I91.6Very high86.4Confident0 Ų058.3 Ų58.30%032%0.319CS..Hα-helixtrans-63.6-45.5177.9-58.6158.1000109.6R424 Q425 H430 W431 L432 Y449 L452 M456 I464 F506R424-I428 VanDerWaalsContact O-CG1 3.3Å; R424-I428 WeakPolarHBondContact O-CG1 3.41Å; R424-I428 PolarHBondContact O-N 2.55Å; Q425-I428 PolarHBondContact O-N 3.37Å; I428-H430 VanDerWaalsContact C-N 3.26Å; I428-H430 PolarHBondContact O-N 2.93Å; I428-W431 PolarHBondContact O-N 2.93Å; I428-L432 PolarHBondContact O-N 2.95Å; I428-Y449 HydrophobicContact CB-CD1 4.14Å; I428-Y449 HydrophobicContact CG2-CD1 3.77Å; I428-Y449 HydrophobicContact CG2-CE1 4.16Å; I428-L452 HydrophobicContact CD1-CB 3.91Å; I428-M456 HydrophobicContact CD1-SD 3.81Å; I428-M456 HydrophobicContact CG1-SD 4.2Å; I428-I464 HydrophobicContact CG1-CG2 3.87Å; I428-F506 HydrophobicContact CG2-CE2 4.33Å; I428-F506 HydrophobicContact CG2-CZ 4.42Å
429S91.3Very high85Confident50 Ų5060.6 Ų60.635%0.3535%0.353SS..Hα-helixtrans-61.1-30.6176.3-170.60000113.7Q425 P433Q425-S429 WeakPolarHBondContact O-CB 3.38Å; Q425-S429 PolarHBondContact O-N 3Å; S429-P433 WeakPolarHBondContact O-CA 3.48Å
430H89.9Confident83.7Confident119 Ų11963.3 Ų63.355%0.55138%0.383SS*.Hα-helixtrans-74.9-40.1174.6-179.683.7000113.5I251 A426 M427 I428I251-H430 HydrophobicContact CD1-CB 3.64Å; A426-H430 WeakPolarHBondContact O-CB 3.47Å; A426-H430 PolarHBondContact O-N 3.17Å; M427-H430 PolarHBondContact O-N 3.28Å; I428-H430 VanDerWaalsContact C-N 3.26Å; I428-H430 PolarHBondContact O-N 2.93Å
431W88.1Confident82.6Confident116 Ų11663.5 Ų63.544%0.43938%0.382SS..Hα-helixtrans-83.4-30.9-179.7-67.8115000113.7M427 I428 R465 C468M427-W431 PolarHBondContact O-N 3.34Å; I428-W431 PolarHBondContact O-N 2.93Å; W431-R465 HydrophobicContact CD2-CB 4.37Å; W431-R465 HydrophobicContact CD2-CG 3.93Å; W431-R465 HydrophobicContact CE3-CG 4.17Å; W431-R465 HydrophobicContact CH2-CG 4.22Å; W431-R465 HydrophobicContact CZ2-CB 4.38Å; W431-R465 HydrophobicContact CZ2-CG 3.95Å; W431-R465 HydrophobicContact CZ3-CG 4.31Å; W431-C468 HydrophobicContact CB-CB 3.74Å
432L88.1Confident81.9Confident4 Ų468.3 Ų68.32%0.02140%0.398CS..SBendtrans-129.170.8178.2-80.2164.8000110I428 L443 T445 L447 Y449 C468 A471 A472 F506I428-L432 PolarHBondContact O-N 2.95Å; L432-L443 HydrophobicContact CD2-CD2 4.01Å; L432-T445 HydrophobicContact CB-CG2 4.42Å; L432-T445 HydrophobicContact CD2-CG2 3.84Å; L432-L447 HydrophobicContact CB-CD1 3.86Å; L432-L447 HydrophobicContact CD1-CD1 3.97Å; L432-L447 HydrophobicContact CG-CD1 4.47Å; L432-Y449 WeakPolarHBondContact O-CE1 3.3Å; L432-Y449 PolarHBondContact O-OH 3.12Å; L432-C468 HydrophobicContact CD1-CB 3.69Å; L432-C468 HydrophobicContact CG-CB 4.04Å; L432-A471 HydrophobicContact CD1-CB 4.34Å; L432-A472 HydrophobicContact CD2-CB 4.16Å; L432-F506 HydrophobicContact CD1-CD2 3.99Å; L432-F506 HydrophobicContact CD1-CE2 3.74Å
433P86.9Confident81.3Confident36 Ų3664.9 Ų64.923%0.23438%0.375CS..  trans-65.7159.1171.929.2-35.4000111.1S429 L435 T445S429-P433 WeakPolarHBondContact O-CA 3.48Å; P433-L435 PolarHBondContact O-N 3.39Å; P433-L435 VanDerWaalsContact O-N 3.07Å; P433-T445 PolarHBondContact O-OG1 3.2Å
434P82.8Confident80.9Confident74 Ų7469.7 Ų69.748%0.48140%0.397SS..SBendtrans-55.7-29.6-178.1-26.435000114.6Q444 T445 Y449P434-Q444 WeakPolarHBondContact O-CA 3.33Å; P434-T445 WeakPolarHBondContact CA-OG1 3.33Å; P434-T445 PolarHBondContact O-N 3.05Å; P434-Y449 WeakPolarHBondContact CD-OH 3.41Å
435L80.4Confident80.5Confident95 Ų9569.8 Ų69.850%0.49740%0.398SS..EExtended strand (participates in β ladder)trans-132.4118.5171.5-76.7165.5000108.2P433 Q444P433-L435 PolarHBondContact O-N 3.39Å; P433-L435 VanDerWaalsContact O-N 3.07Å; L435-Q444 HydrophobicContact CD2-CG 3.58Å
436S75.8Confident80.3Confident33 Ų3369.9 Ų69.923%0.23141%0.408CS..EExtended strand (participates in β ladder)trans-118.3132173.2-164.70000110.5L443S436-L443 PolarHBondContact N-O 2.9Å; S436-L443 PolarHBondContact O-N 3.12Å
437F69.4Low80.1Confident149 Ų14968.6 Ų68.665%0.65440%0.395SS*.EExtended strand (participates in β ladder)trans-106.885.5179.1-68.7-88.8000109.2K442F437-K442 HydrophobicContact CD1-CG 4.14Å; F437-K442 HydrophobicContact CE1-CD 4.46Å; F437-K442 HydrophobicContact CE1-CG 3.97Å
438L60.8Low80.1Confident137 Ų13771 Ų7172%0.71741%0.408SS*.EExtended strand (participates in β ladder)trans-99105.1-175.2-166.868.3000110.3G440 V441L438-G440 PolarHBondContact O-N 2.72Å; L438-G440 VanDerWaalsContact O-N 3.13Å; L438-V441 PolarHBondContact N-O 3.47Å; L438-V441 PolarHBondContact O-N 2.99Å
439G58.1Low80.1Confident89 Ų8972.6 Ų72.692%0.91842%0.415SS*.THydrogen-bonded Turntrans64.117.5175.400000115.5
440G61.1Low80.2Confident71 Ų7175.3 Ų75.373%0.73242%0.42SS*.THydrogen-bonded Turntrans104.4-18.1-174.400000114.1L438L438-G440 PolarHBondContact O-N 2.72Å; L438-G440 VanDerWaalsContact O-N 3.13Å
441V66.5Low80.3Confident62 Ų6273.3 Ų73.338%0.37641%0.412SS..EExtended strand (participates in β ladder)trans-84.5137.2174.9-160.40000109.8L438 L498L438-V441 PolarHBondContact N-O 3.47Å; L438-V441 PolarHBondContact O-N 2.99Å; V441-L498 HydrophobicContact CB-CD1 4.3Å; V441-L498 HydrophobicContact CG1-CD1 3.47Å; V441-L498 VanDerWaalsContact CG1-CD1 3.47Å; V441-L498 HydrophobicContact CG1-CG 3.7Å
442K77.5Confident80.5Confident140 Ų14067.8 Ų67.861%0.60939%0.391SS*.EExtended strand (participates in β ladder)trans-91.3123176-60.1173.4-170.61650109.1F437F437-K442 HydrophobicContact CD1-CG 4.14Å; F437-K442 HydrophobicContact CE1-CD 4.46Å; F437-K442 HydrophobicContact CE1-CG 3.97Å
443L79.4Confident80.7Confident16 Ų1667.6 Ų67.68%0.08439%0.39CS..EExtended strand (participates in β ladder)trans-106122.6165.9-176.469.3000108.5L432 S436 T445 A472 P475 L498 V501L432-L443 HydrophobicContact CD2-CD2 4.01Å; S436-L443 PolarHBondContact N-O 2.9Å; S436-L443 PolarHBondContact O-N 3.12Å; L443-T445 HydrophobicContact CD2-CG2 4.25Å; L443-T445 HydrophobicContact CG-CG2 4.19Å; L443-A472 HydrophobicContact CD2-CB 4.07Å; L443-P475 HydrophobicContact CD1-CG 4.49Å; L443-L498 HydrophobicContact CB-CD1 4.29Å; L443-L498 HydrophobicContact CD1-CB 4.22Å; L443-L498 HydrophobicContact CD1-CD1 4.06Å; L443-V501 HydrophobicContact CD1-CG2 3.95Å
444Q83.4Confident81Confident106 Ų10670.7 Ų70.750%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-97.2139.4168.8-81.9179.51.900109.9P434 L435 T500 V501P434-Q444 WeakPolarHBondContact O-CA 3.33Å; L435-Q444 HydrophobicContact CD2-CG 3.58Å; Q444-T500 HydrophobicContact CB-CG2 3.91Å; Q444-T500 WeakPolarHBondContact O-CA 3.43Å; Q444-V501 PolarHBondContact O-N 2.88Å
445T83.3Confident81.4Confident15 Ų1572.5 Ų72.59%0.09240%0.403CS..EExtended strand (participates in β ladder)trans-129.5137.6177.977.80000110.7L432 P433 P434 L443 V501L432-T445 HydrophobicContact CB-CG2 4.42Å; L432-T445 HydrophobicContact CD2-CG2 3.84Å; P433-T445 PolarHBondContact O-OG1 3.2Å; P434-T445 WeakPolarHBondContact CA-OG1 3.33Å; P434-T445 PolarHBondContact O-N 3.05Å; L443-T445 HydrophobicContact CD2-CG2 4.25Å; L443-T445 HydrophobicContact CG-CG2 4.19Å; T445-V501 WeakPolarHBondContact CA-O 3.29Å
446S88.2Confident81.8Confident84 Ų8468 Ų6859%0.58738%0.379SS*.EExtended strand (participates in β ladder)trans-125.575179.4-177.80000109.2V501 T503S446-V501 PolarHBondContact N-O 3.14Å; S446-T503 PolarHBondContact O-N 3.3Å; S446-T503 PolarHBondContact O-OG1 2.74Å
447L87.5Confident82.5Confident18 Ų1872.6 Ų72.69%0.09440%0.397CS..  trans-114.2129.5-168.5-57.1177000111.9L432 Y449 L452 V501 T502 T503 F506L432-L447 HydrophobicContact CB-CD1 3.86Å; L432-L447 HydrophobicContact CD1-CD1 3.97Å; L432-L447 HydrophobicContact CG-CD1 4.47Å; L447-Y449 HydrophobicContact CB-CD1 4.44Å; L447-Y449 HydrophobicContact CB-CE1 4.16Å; L447-Y449 HydrophobicContact CD1-CE1 4.26Å; L447-Y449 WeakPolarHBondContact O-CD2 3.32Å; L447-Y449 PolarHBondContact O-N 2.96Å; L447-Y449 VanDerWaalsContact O-N 3.13Å; L447-L452 HydrophobicContact CB-CD1 4.14Å; L447-L452 HydrophobicContact CD2-CD1 4.22Å; L447-V501 HydrophobicContact CD2-CG1 4.4Å; L447-T502 VanDerWaalsContact CD2-O 3.28Å; L447-T502 WeakPolarHBondContact CD2-O 3.36Å; L447-T503 WeakPolarHBondContact CA-OG1 3.37Å; L447-F506 HydrophobicContact CD2-CB 4.31Å
448D91.6Very high83.3Confident76 Ų7666.1 Ų66.141%0.40637%0.373SS..  trans-77.990.6160.5-175.5-9.6000109.9K450 M451 L452 T503D448-K450 PolarHBondContact O-N 3.37Å; D448-K450 VanDerWaalsContact O-N 3.11Å; D448-K450 WeakPolarHBondContact OD1-CA 3.42Å; D448-K450 WeakPolarHBondContact OD1-CB 3.4Å; D448-K450 PolarHBondContact OD1-N 3.05Å; D448-M451 HydrophobicContact CB-CB 4Å; D448-M451 HydrophobicContact CB-CE 4.26Å; D448-M451 PolarHBondContact O-N 2.71Å; D448-M451 PolarHBondContact OD1-N 2.85Å; D448-M451 VanDerWaalsContact OD1-N 3.16Å; D448-L452 WeakPolarHBondContact O-CG 3.44Å; D448-L452 PolarHBondContact O-N 2.96Å; D448-T503 PolarHBondContact N-OG1 3.29Å; D448-T503 VanDerWaalsContact N-OG1 3.11Å
449Y92.4Very high84.6Confident35 Ų3560.3 Ų60.314%0.13734%0.342CS..Hα-helixtrans-56.8-24.2177-54.5-79.9000113.9I428 L432 P434 L447 A453I428-Y449 HydrophobicContact CB-CD1 4.14Å; I428-Y449 HydrophobicContact CG2-CD1 3.77Å; I428-Y449 HydrophobicContact CG2-CE1 4.16Å; L432-Y449 WeakPolarHBondContact O-CE1 3.3Å; L432-Y449 PolarHBondContact O-OH 3.12Å; P434-Y449 WeakPolarHBondContact CD-OH 3.41Å; L447-Y449 HydrophobicContact CB-CD1 4.44Å; L447-Y449 HydrophobicContact CB-CE1 4.16Å; L447-Y449 HydrophobicContact CD1-CE1 4.26Å; L447-Y449 WeakPolarHBondContact O-CD2 3.32Å; L447-Y449 PolarHBondContact O-N 2.96Å; L447-Y449 VanDerWaalsContact O-N 3.13Å; Y449-A453 WeakPolarHBondContact O-CB 3.27Å; Y449-A453 PolarHBondContact O-N 3.41Å; Y449-A453 VanDerWaalsContact O-N 3.1Å
450K93.2Very high85.9Confident107 Ų10756.1 Ų56.147%0.46530%0.298SS..Hα-helixtrans-78.3-50.2179.5-177.5-174.8174.4-74.10110.4D448 L452 A453 E454D448-K450 PolarHBondContact O-N 3.37Å; D448-K450 VanDerWaalsContact O-N 3.11Å; D448-K450 WeakPolarHBondContact OD1-CA 3.42Å; D448-K450 WeakPolarHBondContact OD1-CB 3.4Å; D448-K450 PolarHBondContact OD1-N 3.05Å; K450-L452 VanDerWaalsContact C-N 3.31Å; K450-L452 PolarHBondContact O-N 3.07Å; K450-A453 PolarHBondContact O-N 2.9Å; K450-A453 VanDerWaalsContact O-N 3.16Å; K450-E454 VanDerWaalsContact CE-OE1 3.31Å; K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 VanDerWaalsContact NZ-CD 3.33Å; K450-E454 IonicContact NZ-OE1 3.65Å; K450-E454 PolarHBondContact NZ-OE1 3.33Å; K450-E454 IonicContact NZ-OE2 2.81Å; K450-E454 PolarHBondContact NZ-OE2 2.68Å; K450-E454 PolarHBondContact O-N 3.09Å; K450-E454 VanDerWaalsContact O-N 3.07Å
451M92.9Very high87.1Confident76 Ų7653.2 Ų53.237%0.37427%0.269SS..Hα-helixtrans-54.7-49.2173.9-176.3-149.8-58.900110.6D448 A453 E454 E455 T503D448-M451 HydrophobicContact CB-CB 4Å; D448-M451 HydrophobicContact CB-CE 4.26Å; D448-M451 PolarHBondContact O-N 2.71Å; D448-M451 PolarHBondContact OD1-N 2.85Å; D448-M451 VanDerWaalsContact OD1-N 3.16Å; M451-A453 VanDerWaalsContact C-N 3.3Å; M451-A453 PolarHBondContact O-N 3.33Å; M451-E454 PolarHBondContact O-N 3.35Å; M451-E454 VanDerWaalsContact O-N 3.09Å; M451-E455 PolarHBondContact O-N 3.43Å; M451-T503 HydrophobicContact CE-CG2 3.99Å; M451-T503 HydrophobicContact SD-CG2 3.78Å
452L91.3Very high88.1Confident0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-64.1-33.1179.3-63.8-179.9000112.7I428 L447 D448 K450 E454 M456 T503 F506 M507 L510I428-L452 HydrophobicContact CD1-CB 3.91Å; L447-L452 HydrophobicContact CB-CD1 4.14Å; L447-L452 HydrophobicContact CD2-CD1 4.22Å; D448-L452 WeakPolarHBondContact O-CG 3.44Å; D448-L452 PolarHBondContact O-N 2.96Å; K450-L452 VanDerWaalsContact C-N 3.31Å; K450-L452 PolarHBondContact O-N 3.07Å; L452-E454 VanDerWaalsContact C-N 3.33Å; L452-M456 VanDerWaalsContact O-CB 3.27Å; L452-M456 WeakPolarHBondContact O-CB 3.44Å; L452-M456 WeakPolarHBondContact O-CG 3.38Å; L452-M456 PolarHBondContact O-N 3.29Å; L452-T503 HydrophobicContact CD1-CG2 4.49Å; L452-T503 HydrophobicContact CD2-CG2 3.98Å; L452-T503 HydrophobicContact CG-CG2 4.2Å; L452-F506 HydrophobicContact CB-CE1 4.44Å; L452-F506 HydrophobicContact CD1-CB 4.23Å; L452-F506 HydrophobicContact CD1-CD1 3.76Å; L452-F506 HydrophobicContact CD1-CD2 4.1Å; L452-F506 HydrophobicContact CD1-CE1 4.04Å; L452-F506 HydrophobicContact CD1-CE2 4.38Å; L452-F506 HydrophobicContact CD1-CG 3.78Å; L452-F506 HydrophobicContact CD1-CZ 4.34Å; L452-F506 HydrophobicContact CD2-CB 4.34Å; L452-F506 HydrophobicContact CD2-CD1 3.46Å; L452-F506 VanDerWaalsContact CD2-CD1 3.46Å; L452-F506 HydrophobicContact CD2-CE1 3.98Å; L452-F506 HydrophobicContact CD2-CG 4.11Å; L452-F506 HydrophobicContact CG-CD1 4.14Å; L452-F506 HydrophobicContact CG-CE1 4.38Å; L452-M507 HydrophobicContact CD2-CG 4.32Å; L452-M507 HydrophobicContact CD2-SD 3.8Å; L452-L510 HydrophobicContact CD2-CD1 4.43Å
453A93Very high88.6Confident0 Ų045.2 Ų45.20%023%0.232CC..Hα-helixtrans-70.8-27.2174.500000113.6R424 Q425 Y449 K450 M451R424-A453 HydrophobicContact CB-CB 4.03Å; R424-A453 VanDerWaalsContact CZ-O 3.27Å; R424-A453 PolarHBondContact NE-O 2.89Å; R424-A453 PolarHBondContact NH2-O 2.93Å; Q425-A453 HydrophobicContact CB-CB 3.84Å; Y449-A453 WeakPolarHBondContact O-CB 3.27Å; Y449-A453 PolarHBondContact O-N 3.41Å; Y449-A453 VanDerWaalsContact O-N 3.1Å; K450-A453 PolarHBondContact O-N 2.9Å; K450-A453 VanDerWaalsContact O-N 3.16Å; M451-A453 VanDerWaalsContact C-N 3.3Å; M451-A453 PolarHBondContact O-N 3.33Å
454E92.8Very high89.1Confident101 Ų10144.5 Ų44.547%0.47223%0.228SC..Hα-helixtrans-74.9-49.9173.7-72.8168.3-177.300110.1K450 M451 L452 M456 E457K450-E454 VanDerWaalsContact CE-OE1 3.31Å; K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 VanDerWaalsContact NZ-CD 3.33Å; K450-E454 IonicContact NZ-OE1 3.65Å; K450-E454 PolarHBondContact NZ-OE1 3.33Å; K450-E454 IonicContact NZ-OE2 2.81Å; K450-E454 PolarHBondContact NZ-OE2 2.68Å; K450-E454 PolarHBondContact O-N 3.09Å; K450-E454 VanDerWaalsContact O-N 3.07Å; M451-E454 PolarHBondContact O-N 3.35Å; M451-E454 VanDerWaalsContact O-N 3.09Å; L452-E454 VanDerWaalsContact C-N 3.33Å; E454-M456 VanDerWaalsContact C-N 3.32Å; E454-M456 PolarHBondContact O-N 3.5Å; E454-E457 PolarHBondContact O-N 3.15Å
455E91.1Very high89.5Confident112 Ų11244.5 Ų44.552%0.52322%0.224SC..Hα-helixtrans-63.1-30.3176.8-71.5-68.313800114.2M451 E457 M507 L510M451-E455 PolarHBondContact O-N 3.43Å; E455-E457 PolarHBondContact O-N 3.28Å; E455-E457 VanDerWaalsContact O-N 3.1Å; E455-M507 HydrophobicContact CB-SD 4.44Å; E455-M507 HydrophobicContact CG-CE 3.85Å; E455-M507 HydrophobicContact CG-SD 4.08Å; E455-L510 HydrophobicContact CB-CD1 4.16Å
456M89.1Confident89.8Confident0 Ų048.3 Ų48.30%024%0.243CC..THydrogen-bonded Turntrans-82.433.1177.3-65.5-173.489.800114.2R424 I428 L452 E454 G458 Y459 I464 T467 F506 L510R424-M456 WeakPolarHBondContact CD-O 3.41Å; R424-M456 PolarHBondContact NE-O 2.88Å; I428-M456 HydrophobicContact CD1-SD 3.81Å; I428-M456 HydrophobicContact CG1-SD 4.2Å; L452-M456 VanDerWaalsContact O-CB 3.27Å; L452-M456 WeakPolarHBondContact O-CB 3.44Å; L452-M456 WeakPolarHBondContact O-CG 3.38Å; L452-M456 PolarHBondContact O-N 3.29Å; E454-M456 VanDerWaalsContact C-N 3.32Å; E454-M456 PolarHBondContact O-N 3.5Å; M456-G458 PolarHBondContact O-N 2.84Å; M456-Y459 VanDerWaalsContact CA-CD2 3.5Å; M456-Y459 HydrophobicContact CB-CD2 3.93Å; M456-Y459 HydrophobicContact CB-CE2 4.36Å; M456-Y459 HydrophobicContact CB-CG 4.13Å; M456-Y459 HydrophobicContact CE-CD1 3.58Å; M456-Y459 HydrophobicContact CE-CE1 3.93Å; M456-Y459 HydrophobicContact CE-CG 4.09Å; M456-Y459 HydrophobicContact CG-CD2 4.47Å; M456-Y459 VanDerWaalsContact O-CD2 3.31Å; M456-Y459 WeakPolarHBondContact O-CD2 3.41Å; M456-Y459 PolarHBondContact O-N 3.09Å; M456-I464 HydrophobicContact CE-CB 4.21Å; M456-I464 HydrophobicContact CE-CG1 3.84Å; M456-I464 HydrophobicContact CE-CG2 4.46Å; M456-I464 HydrophobicContact SD-CG1 4.44Å; M456-T467 HydrophobicContact CE-CG2 3.84Å; M456-T467 WeakPolarHBondContact CE-OG1 3.37Å; M456-F506 HydrophobicContact CE-CE1 4.4Å; M456-F506 HydrophobicContact CE-CZ 4.35Å; M456-F506 HydrophobicContact SD-CE1 3.64Å; M456-F506 HydrophobicContact SD-CZ 3.73Å; M456-L510 HydrophobicContact CE-CD2 3.88Å; M456-L510 HydrophobicContact CG-CD1 4.24Å; M456-L510 HydrophobicContact CG-CD2 3.73Å; M456-L510 HydrophobicContact SD-CD2 4.18Å
457E89.1Confident90Very high130 Ų13044.3 Ų44.361%0.60722%0.215SC*.THydrogen-bonded Turntrans-63132172.1-174.4114.7-81.300112.3R424 E454 E455 Y459R424-E457 IonicContact CZ-OE1 2.78Å; R424-E457 IonicContact NH1-OE1 2.7Å; R424-E457 PolarHBondContact NH1-OE1 3.39Å; R424-E457 IonicContact NH2-OE1 3.35Å; R424-E457 PolarHBondContact NH2-OE1 3.26Å; E454-E457 PolarHBondContact O-N 3.15Å; E455-E457 PolarHBondContact O-N 3.28Å; E455-E457 VanDerWaalsContact O-N 3.1Å; E457-Y459 VanDerWaalsContact C-N 3.31Å; E457-Y459 WeakPolarHBondContact O-CD2 3.32Å; E457-Y459 PolarHBondContact O-N 3.12Å
458G86.6Confident90.2Very high14 Ų1443.5 Ų43.514%0.14421%0.211CC..THydrogen-bonded Turntrans84.1-3.717900000115.3M456 T517M456-G458 PolarHBondContact O-N 2.84Å; G458-T517 PolarHBondContact O-OG1 3.25Å; G458-T517 VanDerWaalsContact O-OG1 3.09Å
459Y87.6Confident90.2Very high15 Ų1546.6 Ų46.66%0.05922%0.221CC..  trans-76.8138.7177.2-71.4-115.6000111.5P419 M456 E457 D463 L510 T513 P515P419-Y459 WeakPolarHBondContact CD-O 3.26Å; M456-Y459 VanDerWaalsContact CA-CD2 3.5Å; M456-Y459 HydrophobicContact CB-CD2 3.93Å; M456-Y459 HydrophobicContact CB-CE2 4.36Å; M456-Y459 HydrophobicContact CB-CG 4.13Å; M456-Y459 HydrophobicContact CE-CD1 3.58Å; M456-Y459 HydrophobicContact CE-CE1 3.93Å; M456-Y459 HydrophobicContact CE-CG 4.09Å; M456-Y459 HydrophobicContact CG-CD2 4.47Å; M456-Y459 VanDerWaalsContact O-CD2 3.31Å; M456-Y459 WeakPolarHBondContact O-CD2 3.41Å; M456-Y459 PolarHBondContact O-N 3.09Å; E457-Y459 VanDerWaalsContact C-N 3.31Å; E457-Y459 WeakPolarHBondContact O-CD2 3.32Å; E457-Y459 PolarHBondContact O-N 3.12Å; Y459-D463 HydrophobicContact CD1-CB 3.73Å; Y459-D463 HydrophobicContact CG-CB 4.36Å; Y459-L510 HydrophobicContact CE1-CD2 3.88Å; Y459-L510 WeakPolarHBondContact OH-CD2 3.19Å; Y459-T513 VanDerWaalsContact CE1-O 3.27Å; Y459-T513 WeakPolarHBondContact CE1-O 3.3Å; Y459-T513 PolarHBondContact OH-O 3Å; Y459-T513 VanDerWaalsContact OH-O 3.1Å; Y459-P515 HydrophobicContact CD1-CB 4.2Å; Y459-P515 HydrophobicContact CD2-CB 3.83Å; Y459-P515 HydrophobicContact CD2-CG 4.17Å; Y459-P515 HydrophobicContact CE1-CB 4.46Å; Y459-P515 HydrophobicContact CE2-CB 4.14Å; Y459-P515 HydrophobicContact CE2-CG 4.04Å; Y459-P515 HydrophobicContact CG-CB 3.88Å
460S87.2Confident90.1Very high0 Ų047.6 Ų47.60%023%0.227CC..  trans-78.2164.6170.473.50000111.9D291 C462 D463 I464D291-S460 VanDerWaalsContact CG-CB 3.45Å; D291-S460 WeakPolarHBondContact OD2-CB 3.49Å; S460-C462 PolarHBondContact O-N 3.43Å; S460-C462 VanDerWaalsContact O-N 3.15Å; S460-C462 WeakPolarHBondContact OG-CB 3.29Å; S460-C462 PolarHBondContact OG-N 3.1Å; S460-D463 VanDerWaalsContact CB-OD2 3.32Å; S460-D463 WeakPolarHBondContact CB-OD2 3.35Å; S460-D463 PolarHBondContact N-OD2 2.87Å; S460-D463 PolarHBondContact O-N 3.06Å; S460-D463 VanDerWaalsContact O-N 3.07Å; S460-D463 PolarHBondContact OG-N 2.96Å; S460-D463 VanDerWaalsContact OG-N 3.1Å; S460-D463 PolarHBondContact OG-OD1 3.06Å; S460-D463 PolarHBondContact OG-OD2 3.47Å; S460-I464 WeakPolarHBondContact O-CG1 3.46Å; S460-I464 PolarHBondContact O-N 3.41Å
461G86.2Confident90Very high11 Ų1142.5 Ų42.511%0.11321%0.205CC..Hα-helixtrans-61-19.3170.200000113.9R465G461-R465 PolarHBondContact O-N 2.85Å
462C85.9Confident89.8Confident27 Ų2740.1 Ų40.118%0.18220%0.197CC..Hα-helixtrans-74-48.4170.2-113.70000111.5D291 K292 S460 R465 L466D291-C462 HydrophobicContact CB-CB 4.1Å; K292-C462 PolarHBondContact O-SG 3.42Å; K292-C462 VanDerWaalsContact O-SG 3.33Å; S460-C462 PolarHBondContact O-N 3.43Å; S460-C462 VanDerWaalsContact O-N 3.15Å; S460-C462 WeakPolarHBondContact OG-CB 3.29Å; S460-C462 PolarHBondContact OG-N 3.1Å; C462-R465 PolarHBondContact O-N 3Å; C462-R465 PolarHBondContact SG-NH2 3.22Å; C462-R465 VanDerWaalsContact SG-NH2 3.39Å; C462-L466 PolarHBondContact O-N 3Å
463D89.3Confident89.6Confident7 Ų742.8 Ų42.84%0.03721%0.21CC..Hα-helixtrans-64.5-44.2-179-50.1-44.4000110.1Y459 S460 R465 L466 T467 S516Y459-D463 HydrophobicContact CD1-CB 3.73Å; Y459-D463 HydrophobicContact CG-CB 4.36Å; S460-D463 VanDerWaalsContact CB-OD2 3.32Å; S460-D463 WeakPolarHBondContact CB-OD2 3.35Å; S460-D463 PolarHBondContact N-OD2 2.87Å; S460-D463 PolarHBondContact O-N 3.06Å; S460-D463 VanDerWaalsContact O-N 3.07Å; S460-D463 PolarHBondContact OG-N 2.96Å; S460-D463 VanDerWaalsContact OG-N 3.1Å; S460-D463 PolarHBondContact OG-OD1 3.06Å; S460-D463 PolarHBondContact OG-OD2 3.47Å; D463-R465 VanDerWaalsContact C-N 3.34Å; D463-R465 PolarHBondContact O-N 3.5Å; D463-L466 WeakPolarHBondContact O-CA 3.47Å; D463-L466 WeakPolarHBondContact O-CB 3.44Å; D463-L466 PolarHBondContact O-N 3.22Å; D463-T467 PolarHBondContact O-N 2.91Å; D463-T467 PolarHBondContact O-OG1 2.92Å; D463-T467 VanDerWaalsContact O-OG1 3.07Å; D463-S516 WeakPolarHBondContact OD1-CB 3.3Å; D463-S516 PolarHBondContact OD1-OG 3.26Å; D463-S516 PolarHBondContact OD2-N 2.91Å; D463-S516 VanDerWaalsContact OD2-N 3.13Å
464I90.6Very high89.4Confident0 Ų044.8 Ų44.80%022%0.218CC..Hα-helixtrans-56-47.7176.6-65.3163.3000111.2P419 R424 M427 I428 M456 S460 L466 T467 C468P419-I464 HydrophobicContact CG-CD1 3.85Å; R424-I464 HydrophobicContact CB-CD1 4.27Å; R424-I464 HydrophobicContact CG-CD1 3.88Å; M427-I464 HydrophobicContact CB-CG2 4.04Å; M427-I464 HydrophobicContact SD-CD1 4.01Å; I428-I464 HydrophobicContact CG1-CG2 3.87Å; M456-I464 HydrophobicContact CE-CB 4.21Å; M456-I464 HydrophobicContact CE-CG1 3.84Å; M456-I464 HydrophobicContact CE-CG2 4.46Å; M456-I464 HydrophobicContact SD-CG1 4.44Å; S460-I464 WeakPolarHBondContact O-CG1 3.46Å; S460-I464 PolarHBondContact O-N 3.41Å; I464-L466 VanDerWaalsContact C-N 3.3Å; I464-L466 PolarHBondContact O-N 2.86Å; I464-T467 PolarHBondContact O-N 3.33Å; I464-C468 WeakPolarHBondContact O-CB 3.48Å; I464-C468 PolarHBondContact O-N 2.94Å; I464-C468 PolarHBondContact O-SG 3.16Å
465R90Very high89.1Confident106 Ų10640.2 Ų40.240%0.420%0.197SC..Hα-helixtrans-62.9-35.7176.1-179.7-178.260.6-171.9-10.2112.2W431 G461 C462 D463 K469W431-R465 HydrophobicContact CD2-CB 4.37Å; W431-R465 HydrophobicContact CD2-CG 3.93Å; W431-R465 HydrophobicContact CE3-CG 4.17Å; W431-R465 HydrophobicContact CH2-CG 4.22Å; W431-R465 HydrophobicContact CZ2-CB 4.38Å; W431-R465 HydrophobicContact CZ2-CG 3.95Å; W431-R465 HydrophobicContact CZ3-CG 4.31Å; G461-R465 PolarHBondContact O-N 2.85Å; C462-R465 PolarHBondContact O-N 3Å; C462-R465 PolarHBondContact SG-NH2 3.22Å; C462-R465 VanDerWaalsContact SG-NH2 3.39Å; D463-R465 VanDerWaalsContact C-N 3.34Å; D463-R465 PolarHBondContact O-N 3.5Å; R465-K469 WeakPolarHBondContact O-CB 3.4Å; R465-K469 PolarHBondContact O-N 3.45Å
466L91.3Very high88.8Confident95 Ų9536.5 Ų36.550%0.49718%0.182SC..Hα-helixtrans-68-49.1177.2-17959.9000111.2C462 D463 I464 C468 K469 E470 T513C462-L466 PolarHBondContact O-N 3Å; D463-L466 WeakPolarHBondContact O-CA 3.47Å; D463-L466 WeakPolarHBondContact O-CB 3.44Å; D463-L466 PolarHBondContact O-N 3.22Å; I464-L466 VanDerWaalsContact C-N 3.3Å; I464-L466 PolarHBondContact O-N 2.86Å; L466-C468 VanDerWaalsContact C-N 3.31Å; L466-C468 PolarHBondContact O-N 3.09Å; L466-K469 PolarHBondContact O-N 3.38Å; L466-E470 WeakPolarHBondContact O-CB 3.39Å; L466-E470 PolarHBondContact O-N 3.47Å; L466-T513 HydrophobicContact CD2-CG2 4.26Å; L466-T513 HydrophobicContact CG-CG2 4.28Å
467T92.1Very high88.7Confident0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-56.8-44.7174-50.30000111.2M456 D463 I464 K469 E470 A471 F506 V509 L510 T513M456-T467 HydrophobicContact CE-CG2 3.84Å; M456-T467 WeakPolarHBondContact CE-OG1 3.37Å; D463-T467 PolarHBondContact O-N 2.91Å; D463-T467 PolarHBondContact O-OG1 2.92Å; D463-T467 VanDerWaalsContact O-OG1 3.07Å; I464-T467 PolarHBondContact O-N 3.33Å; T467-K469 PolarHBondContact O-N 3.37Å; T467-E470 PolarHBondContact O-N 2.8Å; T467-A471 WeakPolarHBondContact O-CB 3.35Å; T467-A471 PolarHBondContact O-N 3.46Å; T467-F506 HydrophobicContact CG2-CD1 4.17Å; T467-F506 HydrophobicContact CG2-CE1 3.51Å; T467-F506 HydrophobicContact CG2-CE2 4.16Å; T467-F506 HydrophobicContact CG2-CZ 3.5Å; T467-F506 VanDerWaalsContact CG2-CZ 3.5Å; T467-V509 HydrophobicContact CG2-CG1 3.77Å; T467-L510 HydrophobicContact CG2-CD2 3.61Å; T467-L510 HydrophobicContact CG2-CG 4.22Å; T467-T513 WeakPolarHBondContact OG1-CG2 3.43Å
468C91.3Very high88.5Confident2 Ų240.6 Ų40.61%0.01420%0.195CC..Hα-helixtrans-62.2-42.4177.4-66.80000112.2W431 L432 I464 L466 A472W431-C468 HydrophobicContact CB-CB 3.74Å; L432-C468 HydrophobicContact CD1-CB 3.69Å; L432-C468 HydrophobicContact CG-CB 4.04Å; I464-C468 WeakPolarHBondContact O-CB 3.48Å; I464-C468 PolarHBondContact O-N 2.94Å; I464-C468 PolarHBondContact O-SG 3.16Å; L466-C468 VanDerWaalsContact C-N 3.31Å; L466-C468 PolarHBondContact O-N 3.09Å; C468-A472 WeakPolarHBondContact O-CB 3.4Å; C468-A472 PolarHBondContact O-N 2.89Å
469K90.4Very high88.3Confident141 Ų14141.7 Ų41.761%0.61320%0.197SC*.Hα-helixtrans-64.2-42.5174.6-177.4-175.4175.3-172.20111.6R465 L466 T467 A472 M473R465-K469 WeakPolarHBondContact O-CB 3.4Å; R465-K469 PolarHBondContact O-N 3.45Å; L466-K469 PolarHBondContact O-N 3.38Å; T467-K469 PolarHBondContact O-N 3.37Å; K469-A472 WeakPolarHBondContact O-CB 3.4Å; K469-A472 PolarHBondContact O-N 3.5Å; K469-M473 WeakPolarHBondContact O-CG 3.23Å; K469-M473 PolarHBondContact O-N 3.02Å
470E91.5Very high88.2Confident55 Ų5546 Ų4626%0.25722%0.216SC..Hα-helixtrans-69-38-177.2-176.962.2-168.300111.8L466 T467 M473 R474 R477 V509L466-E470 WeakPolarHBondContact O-CB 3.39Å; L466-E470 PolarHBondContact O-N 3.47Å; T467-E470 PolarHBondContact O-N 2.8Å; E470-M473 PolarHBondContact O-N 3.46Å; E470-R474 PolarHBondContact O-N 3.32Å; E470-R477 IonicContact OE1-CZ 2.7Å; E470-R477 IonicContact OE1-NH1 2.72Å; E470-R477 PolarHBondContact OE1-NH1 2.94Å; E470-R477 IonicContact OE1-NH2 2.67Å; E470-R477 PolarHBondContact OE1-NH2 3.18Å; E470-R477 IonicContact OE2-CZ 3.97Å; E470-R477 IonicContact OE2-NH1 3.17Å; E470-R477 IonicContact OE2-NH2 3.95Å; E470-R477 PolarHBondContact OE2-NH2 3.13Å; E470-V509 HydrophobicContact CB-CG1 3.71Å; E470-V509 HydrophobicContact CG-CB 4.48Å; E470-V509 HydrophobicContact CG-CG1 3.54Å; E470-V509 HydrophobicContact CG-CG2 4.07Å
471A90.4Very high88Confident0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-63.3-44.6168.700000111.9L432 T467 M473 R474 V501 F506 V509L432-A471 HydrophobicContact CD1-CB 4.34Å; T467-A471 WeakPolarHBondContact O-CB 3.35Å; T467-A471 PolarHBondContact O-N 3.46Å; A471-M473 PolarHBondContact O-N 3.1Å; A471-R474 WeakPolarHBondContact O-CB 3.3Å; A471-R474 PolarHBondContact O-N 2.86Å; A471-V501 HydrophobicContact CB-CG1 4.26Å; A471-F506 HydrophobicContact CB-CB 4.5Å; A471-F506 HydrophobicContact CB-CD2 3.63Å; A471-F506 HydrophobicContact CB-CE2 4.26Å; A471-F506 HydrophobicContact CB-CG 4.32Å; A471-V509 HydrophobicContact CB-CG2 4.48Å
472A88.6Confident87.7Confident27 Ų2752.1 Ų52.122%0.22325%0.252CS..Hα-helixtrans-61.3-25.2174.500000113.6L432 L443 C468 K469L432-A472 HydrophobicContact CD2-CB 4.16Å; L443-A472 HydrophobicContact CD2-CB 4.07Å; C468-A472 WeakPolarHBondContact O-CB 3.4Å; C468-A472 PolarHBondContact O-N 2.89Å; K469-A472 WeakPolarHBondContact O-CB 3.4Å; K469-A472 PolarHBondContact O-N 3.5Å
473M88.6Confident87.5Confident55 Ų5554.7 Ų54.727%0.27126%0.264SS..Hα-helixtrans-80.1-15.2175.3-73.8-60.2-54.200113.7K469 E470 A471 V476 R477 F480K469-M473 WeakPolarHBondContact O-CG 3.23Å; K469-M473 PolarHBondContact O-N 3.02Å; E470-M473 PolarHBondContact O-N 3.46Å; A471-M473 PolarHBondContact O-N 3.1Å; M473-V476 HydrophobicContact CE-CB 3.97Å; M473-V476 HydrophobicContact CE-CG1 3.91Å; M473-V476 PolarHBondContact O-N 2.91Å; M473-V476 HydrophobicContact SD-CB 4.38Å; M473-V476 HydrophobicContact SD-CG2 4.42Å; M473-R477 WeakPolarHBondContact O-CG 3.1Å; M473-R477 PolarHBondContact O-N 3.38Å; M473-F480 HydrophobicContact CE-CE2 4.25Å
474R87.5Confident87.1Confident42 Ų4261.7 Ų61.716%0.15830%0.296CS..Hα-helixtrans-59.6-46.6-178.8-74-62.3-158.798.6-8113.4E470 A471 D505 E508 V509E470-R474 PolarHBondContact O-N 3.32Å; A471-R474 WeakPolarHBondContact O-CB 3.3Å; A471-R474 PolarHBondContact O-N 2.86Å; R474-D505 IonicContact NH1-OD1 2.81Å; R474-E508 IonicContact CZ-OE2 3.53Å; R474-E508 IonicContact NH1-OE2 2.63Å; R474-E508 PolarHBondContact NH1-OE2 2.66Å; R474-E508 IonicContact NH2-OE2 3.09Å; R474-E508 PolarHBondContact NH2-OE2 3.2Å; R474-V509 HydrophobicContact CG-CG2 4.19Å
475P85.9Confident86.3Confident6 Ų666 Ų664%0.03933%0.327CS..Hα-helixtrans-67.8-36.2174.5-18.832.5000112.4L443 R477 K478 I479 L498 G499 V501L443-P475 HydrophobicContact CD1-CG 4.49Å; P475-R477 PolarHBondContact O-N 3.21Å; P475-K478 PolarHBondContact O-N 3.45Å; P475-I479 WeakPolarHBondContact O-CD1 3.18Å; P475-I479 PolarHBondContact O-N 3.42Å; P475-L498 HydrophobicContact CB-CB 4.45Å; P475-L498 HydrophobicContact CB-CD2 4.19Å; P475-G499 WeakPolarHBondContact CG-O 3.38Å; P475-V501 HydrophobicContact CG-CG2 3.57Å
476V85.8Confident85.2Confident34 Ų3468.3 Ų68.321%0.20634%0.341CS..Hα-helixtrans-63.9-39.6-179-172.10000111.4M473 I479 F480 L498M473-V476 HydrophobicContact CE-CB 3.97Å; M473-V476 HydrophobicContact CE-CG1 3.91Å; M473-V476 PolarHBondContact O-N 2.91Å; M473-V476 HydrophobicContact SD-CB 4.38Å; M473-V476 HydrophobicContact SD-CG2 4.42Å; V476-I479 WeakPolarHBondContact O-CB 3.42Å; V476-I479 PolarHBondContact O-N 3.36Å; V476-F480 HydrophobicContact CG1-CD2 4.22Å; V476-F480 HydrophobicContact CG1-CE1 4.32Å; V476-F480 HydrophobicContact CG1-CE2 3.61Å; V476-F480 HydrophobicContact CG1-CZ 3.67Å; V476-F480 PolarHBondContact O-N 2.91Å; V476-L498 HydrophobicContact CG2-CD2 3.82Å
477R87.3Confident83.5Confident96 Ų9671.4 Ų71.436%0.36235%0.353SS..Hα-helixtrans-62.6-46.2175.2-72.3-179.5-170.6143.410.6112.2E470 M473 P475 I479 F480 D481E470-R477 IonicContact OE1-CZ 2.7Å; E470-R477 IonicContact OE1-NH1 2.72Å; E470-R477 PolarHBondContact OE1-NH1 2.94Å; E470-R477 IonicContact OE1-NH2 2.67Å; E470-R477 PolarHBondContact OE1-NH2 3.18Å; E470-R477 IonicContact OE2-CZ 3.97Å; E470-R477 IonicContact OE2-NH1 3.17Å; E470-R477 IonicContact OE2-NH2 3.95Å; E470-R477 PolarHBondContact OE2-NH2 3.13Å; M473-R477 WeakPolarHBondContact O-CG 3.1Å; M473-R477 PolarHBondContact O-N 3.38Å; P475-R477 PolarHBondContact O-N 3.21Å; R477-I479 PolarHBondContact O-N 3.42Å; R477-F480 CarbonylContact O-C 3.56Å; R477-F480 WeakPolarHBondContact O-CA 3.37Å; R477-F480 PolarHBondContact O-N 3.35Å; R477-D481 PolarHBondContact O-N 2.62Å; R477-D481 VanDerWaalsContact O-OD2 3.11Å
478K83.9Confident81.5Confident120 Ų12079 Ų7952%0.52239%0.394SS..Hα-helixtrans-54.5-29.8175.5-63.8169.7-174.8169.40112.3P475 A482 D505P475-K478 PolarHBondContact O-N 3.45Å; K478-A482 PolarHBondContact O-N 2.81Å; K478-D505 IonicContact NZ-OD1 3.3Å
479I83.1Confident79.6Confident37 Ų3783.2 Ų83.219%0.1943%0.429CS..Hα-helixtrans-79.7-39.8174-68.1151.4000112.2P475 V476 R477 A482 L483 I496 L498P475-I479 WeakPolarHBondContact O-CD1 3.18Å; P475-I479 PolarHBondContact O-N 3.42Å; V476-I479 WeakPolarHBondContact O-CB 3.42Å; V476-I479 PolarHBondContact O-N 3.36Å; R477-I479 PolarHBondContact O-N 3.42Å; I479-A482 PolarHBondContact O-N 3.07Å; I479-L483 HydrophobicContact CG2-CD1 3.85Å; I479-L483 HydrophobicContact CG2-CG 4.31Å; I479-L483 WeakPolarHBondContact O-CB 3.47Å; I479-L483 VanDerWaalsContact O-CG 3.29Å; I479-L483 WeakPolarHBondContact O-CG 3.46Å; I479-L483 PolarHBondContact O-N 3.02Å; I479-I496 HydrophobicContact CD1-CG2 3.63Å; I479-I496 HydrophobicContact CG1-CG2 4.32Å; I479-I496 HydrophobicContact CG2-CD1 4.3Å; I479-I496 HydrophobicContact CG2-CG2 4.06Å; I479-L498 HydrophobicContact CD1-CD2 3.62Å
480F84.9Confident77.8Confident105 Ų10583.9 Ų83.946%0.46144%0.439SS..Hα-helixtrans-62.8-43.6172.8-64.9-35.4000111.8M473 V476 R477 A482 L483 E484M473-F480 HydrophobicContact CE-CE2 4.25Å; V476-F480 HydrophobicContact CG1-CD2 4.22Å; V476-F480 HydrophobicContact CG1-CE1 4.32Å; V476-F480 HydrophobicContact CG1-CE2 3.61Å; V476-F480 HydrophobicContact CG1-CZ 3.67Å; V476-F480 PolarHBondContact O-N 2.91Å; R477-F480 CarbonylContact O-C 3.56Å; R477-F480 WeakPolarHBondContact O-CA 3.37Å; R477-F480 PolarHBondContact O-N 3.35Å; F480-A482 PolarHBondContact O-N 2.81Å; F480-L483 HydrophobicContact CD1-CD1 4.5Å; F480-L483 PolarHBondContact O-N 2.75Å; F480-L483 VanDerWaalsContact O-N 3.11Å; F480-E484 PolarHBondContact O-N 2.81Å
481D84.6Confident75.8Confident101 Ų10189.9 Ų89.954%0.5447%0.469SS..Hα-helixtrans-58.1-37.5175.8-54-34.5000111.4R477 S485R477-D481 PolarHBondContact O-N 2.62Å; R477-D481 VanDerWaalsContact O-OD2 3.11Å; D481-S485 WeakPolarHBondContact O-CB 3.49Å; D481-S485 PolarHBondContact O-N 3.21Å; D481-S485 PolarHBondContact O-OG 2.87Å
482A79.8Confident74.1Confident39 Ų3997.3 Ų97.332%0.32251%0.509SS..Hα-helixtrans-72.1-41.6174.300000112.8K478 I479 F480 S485 H486K478-A482 PolarHBondContact O-N 2.81Å; I479-A482 PolarHBondContact O-N 3.07Å; F480-A482 PolarHBondContact O-N 2.81Å; A482-S485 WeakPolarHBondContact CA-OG 3.35Å; A482-S485 PolarHBondContact O-N 2.98Å; A482-S485 PolarHBondContact O-OG 3.12Å; A482-S485 VanDerWaalsContact O-OG 3.13Å; A482-H486 WeakPolarHBondContact O-CB 3.29Å; A482-H486 PolarHBondContact O-CD2 3.43Å; A482-H486 PolarHBondContact O-N 3.03Å
483L80.7Confident72.4Confident81 Ų81102.1 Ų102.142%0.42453%0.528SS..Hα-helixtrans-67.9-39178.8-72.6169.4000112.2I479 F480 S485 H486 M493I479-L483 HydrophobicContact CG2-CD1 3.85Å; I479-L483 HydrophobicContact CG2-CG 4.31Å; I479-L483 WeakPolarHBondContact O-CB 3.47Å; I479-L483 VanDerWaalsContact O-CG 3.29Å; I479-L483 WeakPolarHBondContact O-CG 3.46Å; I479-L483 PolarHBondContact O-N 3.02Å; F480-L483 HydrophobicContact CD1-CD1 4.5Å; F480-L483 PolarHBondContact O-N 2.75Å; F480-L483 VanDerWaalsContact O-N 3.11Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-H486 PolarHBondContact O-N 2.82Å; L483-M493 HydrophobicContact CD2-SD 4.47Å
484E80.8Confident70.9Confident153 Ų153104 Ų10472%0.71555%0.545SS*.Hα-helixtrans-69.8-29.3176.2-70.9-174.7-172.400112.5F480F480-E484 PolarHBondContact O-N 2.81Å
485S74.6Confident69.6Low92 Ų92106.3 Ų106.364%0.64357%0.573SS**Hα-helixtrans-83.9-17.2174.751.60000114.4D481 A482 L483 H487D481-S485 WeakPolarHBondContact O-CB 3.49Å; D481-S485 PolarHBondContact O-N 3.21Å; D481-S485 PolarHBondContact O-OG 2.87Å; A482-S485 WeakPolarHBondContact CA-OG 3.35Å; A482-S485 PolarHBondContact O-N 2.98Å; A482-S485 PolarHBondContact O-OG 3.12Å; A482-S485 VanDerWaalsContact O-OG 3.13Å; L483-S485 VanDerWaalsContact C-N 3.33Å; S485-H487 VanDerWaalsContact C-N 3.33Å; S485-H487 PolarHBondContact O-N 3.16Å
486H65.6Low68.6Low153 Ų153109.7 Ų109.771%0.70859%0.589SS**  trans-91.933.9174.6-77.3-55.1000114A482 L483 D488A482-H486 WeakPolarHBondContact O-CB 3.29Å; A482-H486 PolarHBondContact O-CD2 3.43Å; A482-H486 PolarHBondContact O-N 3.03Å; L483-H486 PolarHBondContact O-N 2.82Å; H486-D488 PolarHBondContact O-N 3.5Å
487H56.4Low67.8Low160 Ų160116 Ų11674%0.74162%0.617SS**  trans-73.3-8.5-172.7-147.3-50.1000115S485 A489S485-H487 VanDerWaalsContact C-N 3.33Å; S485-H487 PolarHBondContact O-N 3.16Å; H487-A489 PolarHBondContact O-N 2.97Å
488D50.7Low67.1Low161 Ų161113.2 Ų113.286%0.86161%0.609SS**SBendtrans-91.598.5178.9-82.7-40.8000113.4H486H486-D488 PolarHBondContact O-N 3.5Å
489A50.3Low66.8Low90 Ų90109.5 Ų109.574%0.74461%0.605SS**SBendtrans45.5114.4151.800000121H487H487-A489 PolarHBondContact O-N 2.97Å
490N53.2Low67Low154 Ų154111.2 Ų111.282%0.82462%0.617SS**  trans55.489.8155.9-70.4-13.2000117.8
491M49.9Very low67Low182 Ų182106.2 Ų106.290%0.89760%0.595SS**  trans-144.2160.3143.9-90.4-61.611100109.7
492D53.4Low67.3Low156 Ų156103.2 Ų103.283%0.83458%0.581SS**  trans-58.2137.2172.4-82.8-54.9000110.9P494D492-P494 WeakPolarHBondContact O-CD 3.33Å
493M54.4Low67.8Low128 Ų128102 Ų10263%0.63157%0.569SS**  trans-66.7114.3-178.5-135.6-79.5-66.700108.8L483 I496L483-M493 HydrophobicContact CD2-SD 4.47Å; M493-I496 HydrophobicContact CE-CD1 3.67Å; M493-I496 HydrophobicContact CE-CG1 3.94Å; M493-I496 HydrophobicContact SD-CD1 3.92Å; M493-I496 HydrophobicContact SD-CG1 4.14Å
494P56.3Low68.2Low95 Ų95104.2 Ų104.262%0.61758%0.577SS**  trans-63.9151.9-175.226.6-34.5000110.5D492 I496D492-P494 WeakPolarHBondContact O-CD 3.33Å; P494-I496 PolarHBondContact O-N 3.22Å
495A60.6Low68.5Low90 Ų9097.8 Ų97.874%0.74455%0.548SS*.  trans-59.1111.9175.200000109.4E497A495-E497 VanDerWaalsContact C-N 3.34Å; A495-E497 PolarHBondContact O-N 3.35Å
496I64.6Low69.3Low76 Ų7693.4 Ų93.439%0.3952%0.517SS..  trans-73.690-177.6-58.5-176.3000109.2I479 M493 P494I479-I496 HydrophobicContact CD1-CG2 3.63Å; I479-I496 HydrophobicContact CG1-CG2 4.32Å; I479-I496 HydrophobicContact CG2-CD1 4.3Å; I479-I496 HydrophobicContact CG2-CG2 4.06Å; M493-I496 HydrophobicContact CE-CD1 3.67Å; M493-I496 HydrophobicContact CE-CG1 3.94Å; M493-I496 HydrophobicContact SD-CD1 3.92Å; M493-I496 HydrophobicContact SD-CG1 4.14Å; P494-I496 PolarHBondContact O-N 3.22Å
497E68.1Low70.5Confident168 Ų16889 Ų8979%0.78550%0.498SS*.PPolyproline II helixtrans-86.4122.4168.2-58.8-159143.900109.4A495A495-E497 VanDerWaalsContact C-N 3.34Å; A495-E497 PolarHBondContact O-N 3.35Å
498L74.2Confident72.1Confident36 Ų3686 Ų8619%0.18848%0.484CS..PPolyproline II helixtrans-74.2128.1175.1-68.7170.6000109.4V441 L443 P475 V476 I479V441-L498 HydrophobicContact CB-CD1 4.3Å; V441-L498 HydrophobicContact CG1-CD1 3.47Å; V441-L498 VanDerWaalsContact CG1-CD1 3.47Å; V441-L498 HydrophobicContact CG1-CG 3.7Å; L443-L498 HydrophobicContact CB-CD1 4.29Å; L443-L498 HydrophobicContact CD1-CB 4.22Å; L443-L498 HydrophobicContact CD1-CD1 4.06Å; P475-L498 HydrophobicContact CB-CB 4.45Å; P475-L498 HydrophobicContact CB-CD2 4.19Å; V476-L498 HydrophobicContact CG2-CD2 3.82Å; I479-L498 HydrophobicContact CD1-CD2 3.62Å
499G77.5Confident74Confident43 Ų4378.4 Ų78.444%0.44344%0.443SS..PPolyproline II helixtrans-56.7144.3167.900000111.9P475 V501P475-G499 WeakPolarHBondContact CG-O 3.38Å; G499-V501 PolarHBondContact O-N 3.04Å
500T85.7Confident75.9Confident72 Ų7274.7 Ų74.744%0.44241%0.411SS..PPolyproline II helixtrans-58.5129.7176.2540000111.3Q444Q444-T500 HydrophobicContact CB-CG2 3.91Å; Q444-T500 WeakPolarHBondContact O-CA 3.43Å
501V86.8Confident77.6Confident0 Ų071.5 Ų71.50%040%0.397CS..EExtended strand (participates in β ladder)trans-82.4121.2171.8179.20000108.8L443 Q444 T445 S446 L447 A471 P475 G499 D505L443-V501 HydrophobicContact CD1-CG2 3.95Å; Q444-V501 PolarHBondContact O-N 2.88Å; T445-V501 WeakPolarHBondContact CA-O 3.29Å; S446-V501 PolarHBondContact N-O 3.14Å; L447-V501 HydrophobicContact CD2-CG1 4.4Å; A471-V501 HydrophobicContact CB-CG1 4.26Å; P475-V501 HydrophobicContact CG-CG2 3.57Å; G499-V501 PolarHBondContact O-N 3.04Å; V501-D505 HydrophobicContact CG1-CB 4.17Å
502T90.3Very high79.3Confident39 Ų3971.4 Ų71.424%0.23939%0.388CS..EExtended strand (participates in β ladder)trans-97.9175.5179.478.20000112.1L447 E504 F506L447-T502 VanDerWaalsContact CD2-O 3.28Å; L447-T502 WeakPolarHBondContact CD2-O 3.36Å; T502-E504 VanDerWaalsContact C-N 3.26Å; T502-E504 WeakPolarHBondContact CB-OE2 3.43Å; T502-E504 PolarHBondContact O-N 3.13Å; T502-E504 PolarHBondContact OG1-N 3.36Å; T502-E504 PolarHBondContact OG1-OE2 3.34Å; T502-F506 PolarHBondContact O-N 2.78Å
503T89.9Confident80.9Confident14 Ų1465 Ų659%0.08635%0.354CS..Hα-helixtrans-67.6-31.9177.7-54.80000110.7S446 L447 D448 M451 L452 F506 M507S446-T503 PolarHBondContact O-N 3.3Å; S446-T503 PolarHBondContact O-OG1 2.74Å; L447-T503 WeakPolarHBondContact CA-OG1 3.37Å; D448-T503 PolarHBondContact N-OG1 3.29Å; D448-T503 VanDerWaalsContact N-OG1 3.11Å; M451-T503 HydrophobicContact CE-CG2 3.99Å; M451-T503 HydrophobicContact SD-CG2 3.78Å; L452-T503 HydrophobicContact CD1-CG2 4.49Å; L452-T503 HydrophobicContact CD2-CG2 3.98Å; L452-T503 HydrophobicContact CG-CG2 4.2Å; T503-F506 WeakPolarHBondContact O-CB 3.47Å; T503-F506 PolarHBondContact O-N 3.29Å; T503-M507 HydrophobicContact CG2-CG 4.48Å; T503-M507 WeakPolarHBondContact O-CG 3.23Å; T503-M507 PolarHBondContact O-N 3.18Å
504E89.2Confident82.4Confident127 Ų12765 Ų6559%0.59335%0.351SS*.Hα-helixtrans-66-46.6177.8-58.271.1-156.200112T502 F506 M507 E508T502-E504 VanDerWaalsContact C-N 3.26Å; T502-E504 WeakPolarHBondContact CB-OE2 3.43Å; T502-E504 PolarHBondContact O-N 3.13Å; T502-E504 PolarHBondContact OG1-N 3.36Å; T502-E504 PolarHBondContact OG1-OE2 3.34Å; E504-F506 PolarHBondContact O-N 3.36Å; E504-M507 PolarHBondContact O-N 3.42Å; E504-M507 VanDerWaalsContact O-N 3.16Å; E504-E508 PolarHBondContact O-N 3.24Å
505D87.4Confident83.8Confident18 Ų1861.3 Ų61.310%0.09633%0.327CS..Hα-helixtrans-54-38.7172.6-85.1-55000111R474 K478 V501 V509R474-D505 IonicContact NH1-OD1 2.81Å; K478-D505 IonicContact NZ-OD1 3.3Å; V501-D505 HydrophobicContact CG1-CB 4.17Å; D505-V509 WeakPolarHBondContact O-CG2 3.29Å; D505-V509 PolarHBondContact O-N 3.09Å
506F90.9Very high84.7Confident0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-73.8-41.2179.5-163.1-73.2000112I428 L432 L447 L452 M456 T467 A471 T502 T503 E504 E508 V509 L510I428-F506 HydrophobicContact CG2-CE2 4.33Å; I428-F506 HydrophobicContact CG2-CZ 4.42Å; L432-F506 HydrophobicContact CD1-CD2 3.99Å; L432-F506 HydrophobicContact CD1-CE2 3.74Å; L447-F506 HydrophobicContact CD2-CB 4.31Å; L452-F506 HydrophobicContact CB-CE1 4.44Å; L452-F506 HydrophobicContact CD1-CB 4.23Å; L452-F506 HydrophobicContact CD1-CD1 3.76Å; L452-F506 HydrophobicContact CD1-CD2 4.1Å; L452-F506 HydrophobicContact CD1-CE1 4.04Å; L452-F506 HydrophobicContact CD1-CE2 4.38Å; L452-F506 HydrophobicContact CD1-CG 3.78Å; L452-F506 HydrophobicContact CD1-CZ 4.34Å; L452-F506 HydrophobicContact CD2-CB 4.34Å; L452-F506 HydrophobicContact CD2-CD1 3.46Å; L452-F506 VanDerWaalsContact CD2-CD1 3.46Å; L452-F506 HydrophobicContact CD2-CE1 3.98Å; L452-F506 HydrophobicContact CD2-CG 4.11Å; L452-F506 HydrophobicContact CG-CD1 4.14Å; L452-F506 HydrophobicContact CG-CE1 4.38Å; M456-F506 HydrophobicContact CE-CE1 4.4Å; M456-F506 HydrophobicContact CE-CZ 4.35Å; M456-F506 HydrophobicContact SD-CE1 3.64Å; M456-F506 HydrophobicContact SD-CZ 3.73Å; T467-F506 HydrophobicContact CG2-CD1 4.17Å; T467-F506 HydrophobicContact CG2-CE1 3.51Å; T467-F506 HydrophobicContact CG2-CE2 4.16Å; T467-F506 HydrophobicContact CG2-CZ 3.5Å; T467-F506 VanDerWaalsContact CG2-CZ 3.5Å; A471-F506 HydrophobicContact CB-CB 4.5Å; A471-F506 HydrophobicContact CB-CD2 3.63Å; A471-F506 HydrophobicContact CB-CE2 4.26Å; A471-F506 HydrophobicContact CB-CG 4.32Å; T502-F506 PolarHBondContact O-N 2.78Å; T503-F506 WeakPolarHBondContact O-CB 3.47Å; T503-F506 PolarHBondContact O-N 3.29Å; E504-F506 PolarHBondContact O-N 3.36Å; F506-E508 VanDerWaalsContact C-N 3.33Å; F506-E508 PolarHBondContact O-N 2.78Å; F506-V509 WeakPolarHBondContact O-CB 2.78Å; F506-V509 PolarHBondContact O-N 3.23Å; F506-L510 HydrophobicContact CD1-CD1 4.03Å; F506-L510 HydrophobicContact CD1-CG 4.1Å; F506-L510 HydrophobicContact CE1-CD1 4.07Å; F506-L510 HydrophobicContact CE1-CD2 4.12Å; F506-L510 HydrophobicContact CE1-CG 4.09Å; F506-L510 PolarHBondContact O-N 2.78Å; F506-L510 VanDerWaalsContact O-N 3.13Å
507M90.6Very high85Confident61 Ų6157.4 Ų57.430%0.330%0.301SS..Hα-helixtrans-62.1-38.7175.8-72-60.7-69.200111.9L452 E455 T503 E504 V509 L510 V511L452-M507 HydrophobicContact CD2-CG 4.32Å; L452-M507 HydrophobicContact CD2-SD 3.8Å; E455-M507 HydrophobicContact CB-SD 4.44Å; E455-M507 HydrophobicContact CG-CE 3.85Å; E455-M507 HydrophobicContact CG-SD 4.08Å; T503-M507 HydrophobicContact CG2-CG 4.48Å; T503-M507 WeakPolarHBondContact O-CG 3.23Å; T503-M507 PolarHBondContact O-N 3.18Å; E504-M507 PolarHBondContact O-N 3.42Å; E504-M507 VanDerWaalsContact O-N 3.16Å; M507-V509 VanDerWaalsContact C-N 3.29Å; M507-V509 PolarHBondContact O-N 3.38Å; M507-L510 PolarHBondContact O-N 3.2Å; M507-L510 HydrophobicContact SD-CD1 3.81Å; M507-V511 PolarHBondContact O-N 3.36Å
508E89.5Confident84.9Confident95 Ų9555.2 Ų55.244%0.44429%0.29SS..Hα-helixtrans-60-38.8170.9-72-171.2-165.400112.3R474 E504 F506 L510 V511 Y512R474-E508 IonicContact CZ-OE2 3.53Å; R474-E508 IonicContact NH1-OE2 2.63Å; R474-E508 PolarHBondContact NH1-OE2 2.66Å; R474-E508 IonicContact NH2-OE2 3.09Å; R474-E508 PolarHBondContact NH2-OE2 3.2Å; E504-E508 PolarHBondContact O-N 3.24Å; F506-E508 VanDerWaalsContact C-N 3.33Å; F506-E508 PolarHBondContact O-N 2.78Å; E508-L510 VanDerWaalsContact C-N 3.3Å; E508-L510 PolarHBondContact O-N 2.86Å; E508-V511 VanDerWaalsContact O-CB 3.26Å; E508-V511 WeakPolarHBondContact O-CB 3.41Å; E508-V511 PolarHBondContact O-N 2.88Å; E508-V511 VanDerWaalsContact O-N 3.1Å; E508-Y512 VanDerWaalsContact O-CD2 3.24Å; E508-Y512 WeakPolarHBondContact O-CD2 3.02Å
509V91.2Very high84.7Confident2 Ų260.7 Ų60.71%0.01232%0.32CS..Hα-helixtrans-67.3-30.7179170.40000112.1T467 E470 A471 R474 D505 F506 M507 V511 Y512 T513T467-V509 HydrophobicContact CG2-CG1 3.77Å; E470-V509 HydrophobicContact CB-CG1 3.71Å; E470-V509 HydrophobicContact CG-CB 4.48Å; E470-V509 HydrophobicContact CG-CG1 3.54Å; E470-V509 HydrophobicContact CG-CG2 4.07Å; A471-V509 HydrophobicContact CB-CG2 4.48Å; R474-V509 HydrophobicContact CG-CG2 4.19Å; D505-V509 WeakPolarHBondContact O-CG2 3.29Å; D505-V509 PolarHBondContact O-N 3.09Å; F506-V509 WeakPolarHBondContact O-CB 2.78Å; F506-V509 PolarHBondContact O-N 3.23Å; M507-V509 VanDerWaalsContact C-N 3.29Å; M507-V509 PolarHBondContact O-N 3.38Å; V509-V511 VanDerWaalsContact C-N 3.26Å; V509-V511 PolarHBondContact O-N 3.48Å; V509-Y512 PolarHBondContact O-N 3.03Å; V509-T513 WeakPolarHBondContact CG1-OG1 3.47Å; V509-T513 VanDerWaalsContact O-CB 3.31Å; V509-T513 WeakPolarHBondContact O-CB 3.49Å; V509-T513 PolarHBondContact O-N 2.7Å; V509-T513 PolarHBondContact O-OG1 3.13Å
510L90.1Very high84.6Confident12 Ų1261.3 Ų61.36%0.06331%0.313CS..Hα-helixtrans-69.1-19.6171.9-65173.3000113.2L452 E455 M456 Y459 T467 F506 M507 E508 Y512 K514L452-L510 HydrophobicContact CD2-CD1 4.43Å; E455-L510 HydrophobicContact CB-CD1 4.16Å; M456-L510 HydrophobicContact CE-CD2 3.88Å; M456-L510 HydrophobicContact CG-CD1 4.24Å; M456-L510 HydrophobicContact CG-CD2 3.73Å; M456-L510 HydrophobicContact SD-CD2 4.18Å; Y459-L510 HydrophobicContact CE1-CD2 3.88Å; Y459-L510 WeakPolarHBondContact OH-CD2 3.19Å; T467-L510 HydrophobicContact CG2-CD2 3.61Å; T467-L510 HydrophobicContact CG2-CG 4.22Å; F506-L510 HydrophobicContact CD1-CD1 4.03Å; F506-L510 HydrophobicContact CD1-CG 4.1Å; F506-L510 HydrophobicContact CE1-CD1 4.07Å; F506-L510 HydrophobicContact CE1-CD2 4.12Å; F506-L510 HydrophobicContact CE1-CG 4.09Å; F506-L510 PolarHBondContact O-N 2.78Å; F506-L510 VanDerWaalsContact O-N 3.13Å; M507-L510 PolarHBondContact O-N 3.2Å; M507-L510 HydrophobicContact SD-CD1 3.81Å; E508-L510 VanDerWaalsContact C-N 3.3Å; E508-L510 PolarHBondContact O-N 2.86Å; L510-Y512 VanDerWaalsContact C-N 3.3Å; L510-Y512 PolarHBondContact O-N 3Å; L510-K514 PolarHBondContact O-NZ 3.34Å
511V88.7Confident84.2Confident87 Ų8760.6 Ų60.653%0.52731%0.305SS..Hα-helixtrans-64-38.5171.9-177.30000110.7M507 E508 V509 K514M507-V511 PolarHBondContact O-N 3.36Å; E508-V511 VanDerWaalsContact O-CB 3.26Å; E508-V511 WeakPolarHBondContact O-CB 3.41Å; E508-V511 PolarHBondContact O-N 2.88Å; E508-V511 VanDerWaalsContact O-N 3.1Å; V509-V511 VanDerWaalsContact C-N 3.26Å; V509-V511 PolarHBondContact O-N 3.48Å; V511-K514 WeakPolarHBondContact O-CE 3.35Å; V511-K514 PolarHBondContact O-NZ 3.4Å
512Y86.6Confident84Confident181 Ų18166 Ų6671%0.7133%0.334SS*.Hα-helixtrans-97.9-36.8-176.3-54.9-79.4000113.6E508 V509 L510 K514E508-Y512 VanDerWaalsContact O-CD2 3.24Å; E508-Y512 WeakPolarHBondContact O-CD2 3.02Å; V509-Y512 PolarHBondContact O-N 3.03Å; L510-Y512 VanDerWaalsContact C-N 3.3Å; L510-Y512 PolarHBondContact O-N 3Å; Y512-K514 PolarHBondContact O-N 3.4Å
513T87.1Confident83.9Confident20 Ų2071.1 Ų71.112%0.12335%0.349CS..  trans-87.388.4-174.3-45.90000110.3Y459 L466 T467 V509Y459-T513 VanDerWaalsContact CE1-O 3.27Å; Y459-T513 WeakPolarHBondContact CE1-O 3.3Å; Y459-T513 PolarHBondContact OH-O 3Å; Y459-T513 VanDerWaalsContact OH-O 3.1Å; L466-T513 HydrophobicContact CD2-CG2 4.26Å; L466-T513 HydrophobicContact CG-CG2 4.28Å; T467-T513 WeakPolarHBondContact OG1-CG2 3.43Å; V509-T513 WeakPolarHBondContact CG1-OG1 3.47Å; V509-T513 VanDerWaalsContact O-CB 3.31Å; V509-T513 WeakPolarHBondContact O-CB 3.49Å; V509-T513 PolarHBondContact O-N 2.7Å; V509-T513 PolarHBondContact O-OG1 3.13Å
514K86.2Confident83.8Confident129 Ų12970.5 Ų70.556%0.56135%0.345SS*.  trans-85148.5-178.9-60.8-49.4-177.4-161.90113.2L510 V511 Y512L510-K514 PolarHBondContact O-NZ 3.34Å; V511-K514 WeakPolarHBondContact O-CE 3.35Å; V511-K514 PolarHBondContact O-NZ 3.4Å; Y512-K514 PolarHBondContact O-N 3.4Å
515P84.7Confident83.5Confident18 Ų1866.3 Ų66.312%0.11733%0.328CS..  trans-68.9139.8-176.827.2-34.9000112.4Y459 T517 Q518Y459-P515 HydrophobicContact CD1-CB 4.2Å; Y459-P515 HydrophobicContact CD2-CB 3.83Å; Y459-P515 HydrophobicContact CD2-CG 4.17Å; Y459-P515 HydrophobicContact CE1-CB 4.46Å; Y459-P515 HydrophobicContact CE2-CB 4.14Å; Y459-P515 HydrophobicContact CE2-CG 4.04Å; Y459-P515 HydrophobicContact CG-CB 3.88Å; P515-T517 VanDerWaalsContact C-N 3.3Å; P515-T517 PolarHBondContact O-N 2.81Å; P515-Q518 HydrophobicContact CB-CG 4.43Å; P515-Q518 HydrophobicContact CG-CG 3.8Å
516S79.5Confident83.6Confident82 Ų8271 Ų7157%0.57335%0.352SS*.SBendtrans-73.5-16.2-172.8-650000114.6D463D463-S516 WeakPolarHBondContact OD1-CB 3.3Å; D463-S516 PolarHBondContact OD1-OG 3.26Å; D463-S516 PolarHBondContact OD2-N 2.91Å; D463-S516 VanDerWaalsContact OD2-N 3.13Å
517T70.4Confident83.5Confident2 Ų271.8 Ų71.81%0.01236%0.355CS..  trans-122.3-6.5-154.634.10000117.9P289 D291 G458 P515 N519 L520P289-T517 HydrophobicContact CB-CG2 3.59Å; P289-T517 HydrophobicContact CG-CG2 4.4Å; D291-T517 WeakPolarHBondContact OD1-CG2 3.48Å; D291-T517 VanDerWaalsContact OD2-CG2 3.3Å; D291-T517 WeakPolarHBondContact OD2-CG2 3.22Å; G458-T517 PolarHBondContact O-OG1 3.25Å; G458-T517 VanDerWaalsContact O-OG1 3.09Å; P515-T517 VanDerWaalsContact C-N 3.3Å; P515-T517 PolarHBondContact O-N 2.81Å; T517-N519 VanDerWaalsContact C-N 3.33Å; T517-N519 PolarHBondContact O-N 3.4Å; T517-N519 VanDerWaalsContact O-N 3.13Å; T517-L520 PolarHBondContact O-N 2.73Å
518Q67.6Low83.3Confident121 Ų12170.4 Ų70.457%0.56535%0.348SS*.G310 helixtrans-49-48.3-167.8-77.4178.6-24.900113.8P515 L520P515-Q518 HydrophobicContact CB-CG 4.43Å; P515-Q518 HydrophobicContact CG-CG 3.8Å; Q518-L520 VanDerWaalsContact C-N 3.26Å; Q518-L520 PolarHBondContact O-N 2.75Å
519N70Confident83.2Confident152 Ų15274.2 Ų74.281%0.81336%0.363SS*.G310 helixtrans-76.3-1.1-175.7-64.6-18.4000115.4T517T517-N519 VanDerWaalsContact C-N 3.33Å; T517-N519 PolarHBondContact O-N 3.4Å; T517-N519 VanDerWaalsContact O-N 3.13Å
520L74.1Confident83Confident56 Ų5682 Ų8229%0.29340%0.397SS..G310 helixtrans-100.2-21.9-178-62.9178.5000113.6P290 T517 Q518 D522 R523 Y524P290-L520 HydrophobicContact CG-CD1 4.3Å; T517-L520 PolarHBondContact O-N 2.73Å; Q518-L520 VanDerWaalsContact C-N 3.26Å; Q518-L520 PolarHBondContact O-N 2.75Å; L520-D522 VanDerWaalsContact C-N 3.33Å; L520-D522 PolarHBondContact O-N 2.76Å; L520-R523 WeakPolarHBondContact O-CB 3.37Å; L520-R523 PolarHBondContact O-N 2.94Å; L520-R523 VanDerWaalsContact O-N 3.14Å; L520-Y524 HydrophobicContact CB-CD2 4.37Å; L520-Y524 HydrophobicContact CB-CE2 3.88Å; L520-Y524 WeakPolarHBondContact O-CD2 3.41Å; L520-Y524 PolarHBondContact O-N 3.36Å
521M77.8Confident82.5Confident56 Ų5683 Ų8328%0.27640%0.401SS..Hα-helixtrans-66.1-33.8-171.3-164.362.2-169.600113.1L415 R523 Y524 T525L415-M521 HydrophobicContact CD2-CE 4.11Å; M521-R523 VanDerWaalsContact C-N 3.33Å; M521-R523 PolarHBondContact O-N 2.82Å; M521-Y524 PolarHBondContact O-N 2.92Å; M521-T525 WeakPolarHBondContact O-CB 3.45Å; M521-T525 PolarHBondContact O-N 2.68Å; M521-T525 PolarHBondContact O-OG1 3.15Å
522D83.2Confident81.8Confident115 Ų11583.8 Ų83.862%0.61540%0.397SS*.Hα-helixtrans-61.3-41174.3-69-32.4000111.9L520 T525 I526L520-D522 VanDerWaalsContact C-N 3.33Å; L520-D522 PolarHBondContact O-N 2.76Å; D522-T525 PolarHBondContact O-N 3.29Å; D522-I526 WeakPolarHBondContact O-CB 3.26Å; D522-I526 WeakPolarHBondContact O-CD1 3.27Å; D522-I526 WeakPolarHBondContact O-CG1 3.49Å; D522-I526 PolarHBondContact O-N 3.01Å
523R87.1Confident80.5Confident145 Ų14577.9 Ų77.955%0.54738%0.382SS..Hα-helixtrans-62.5-44.2176.3-99.2-174169.2-153.4-0.6111.7W400 L520 M521 W527W400-R523 HydrophobicContact CH2-CB 4.37Å; W400-R523 HydrophobicContact CZ3-CB 3.99Å; L520-R523 WeakPolarHBondContact O-CB 3.37Å; L520-R523 PolarHBondContact O-N 2.94Å; L520-R523 VanDerWaalsContact O-N 3.14Å; M521-R523 VanDerWaalsContact C-N 3.33Å; M521-R523 PolarHBondContact O-N 2.82Å; R523-W527 VanDerWaalsContact O-CB 3.32Å; R523-W527 WeakPolarHBondContact O-CB 3.38Å; R523-W527 PolarHBondContact O-N 3.19Å
524Y87.1Confident78.8Confident1 Ų181.6 Ų81.60%0.00441%0.405CS..Hα-helixtrans-64.2-41.6175-66.3-67000111.6Y287 G288 P289 N397 P399 W400 L520 M521 W527 E528Y287-Y524 HydrophobicContact CD2-CD1 4.29Å; G288-Y524 PolarHBondContact O-OH 2.8Å; P289-Y524 WeakPolarHBondContact CA-OH 3.46Å; P289-Y524 HydrophobicContact CB-CE2 4.03Å; P289-Y524 HydrophobicContact CG-CE2 4.45Å; N397-Y524 WeakPolarHBondContact O-CE1 3.5Å; N397-Y524 PolarHBondContact O-OH 3.13Å; P399-Y524 HydrophobicContact CG-CD1 4.12Å; P399-Y524 HydrophobicContact CG-CE1 4.02Å; W400-Y524 AromaticContact CH2-CE1 3.93Å; W400-Y524 HydrophobicContact CH2-CE1 3.93Å; W400-Y524 HydrophobicContact CH2-CE2 4.48Å; W400-Y524 AromaticContact CH2-CZ 3.83Å; W400-Y524 AromaticContact CZ3-CD1 3.87Å; W400-Y524 HydrophobicContact CZ3-CD1 3.87Å; W400-Y524 AromaticContact CZ3-CE1 3.56Å; W400-Y524 HydrophobicContact CZ3-CE1 3.56Å; W400-Y524 HydrophobicContact CZ3-CG 4.47Å; W400-Y524 AromaticContact CZ3-CZ 3.91Å; L520-Y524 HydrophobicContact CB-CD2 4.37Å; L520-Y524 HydrophobicContact CB-CE2 3.88Å; L520-Y524 WeakPolarHBondContact O-CD2 3.41Å; L520-Y524 PolarHBondContact O-N 3.36Å; M521-Y524 PolarHBondContact O-N 2.92Å; Y524-W527 PolarHBondContact O-N 2.76Å; Y524-E528 WeakPolarHBondContact O-CB 3.5Å; Y524-E528 PolarHBondContact O-N 2.99Å
525T84.8Confident78.5Confident39 Ų3979.3 Ų79.324%0.23940%0.397CS..Hα-helixtrans-66.7-38.5179.5-53.20000112.5M521 D522 K529M521-T525 WeakPolarHBondContact O-CB 3.45Å; M521-T525 PolarHBondContact O-N 2.68Å; M521-T525 PolarHBondContact O-OG1 3.15Å; D522-T525 PolarHBondContact O-N 3.29Å; T525-K529 HydrophobicContact CG2-CD 4.46Å; T525-K529 WeakPolarHBondContact O-CB 3.48Å; T525-K529 VanDerWaalsContact O-CG 3.28Å; T525-K529 WeakPolarHBondContact O-CG 3.28Å; T525-K529 PolarHBondContact O-N 2.89Å
526I88.4Confident78.1Confident117 Ų11782.5 Ų82.560%0.641%0.412SS*.Hα-helixtrans-69.2-42.7174.4-68.7163.3000110.6D522 K529 K530D522-I526 WeakPolarHBondContact O-CB 3.26Å; D522-I526 WeakPolarHBondContact O-CD1 3.27Å; D522-I526 WeakPolarHBondContact O-CG1 3.49Å; D522-I526 PolarHBondContact O-N 3.01Å; I526-K529 PolarHBondContact O-N 3.02Å; I526-K530 PolarHBondContact O-N 3.43Å
527W88.9Confident78.1Confident17 Ų1782.5 Ų82.56%0.06440%0.403CS..Hα-helixtrans-65.3-41.5177-171.396.2000111.6L285 Y287 P399 L407 R523 Y524 K530 H531L285-W527 HydrophobicContact CD2-CH2 4.36Å; Y287-W527 HydrophobicContact CD1-CZ3 4.02Å; Y287-W527 HydrophobicContact CD2-CE3 4.1Å; Y287-W527 HydrophobicContact CD2-CZ3 4.07Å; Y287-W527 HydrophobicContact CE1-CE3 4.38Å; Y287-W527 AromaticContact CE1-CZ3 3.66Å; Y287-W527 HydrophobicContact CE1-CZ3 3.66Å; Y287-W527 AromaticContact CE2-CE3 3.58Å; Y287-W527 HydrophobicContact CE2-CE3 3.58Å; Y287-W527 AromaticContact CE2-CZ3 3.7Å; Y287-W527 HydrophobicContact CE2-CZ3 3.7Å; Y287-W527 HydrophobicContact CG-CZ3 4.21Å; Y287-W527 AromaticContact CZ-CE3 3.74Å; Y287-W527 AromaticContact CZ-CZ3 3.48Å; Y287-W527 VanDerWaalsContact CZ-CZ3 3.48Å; P399-W527 HydrophobicContact CB-CD2 4.08Å; P399-W527 HydrophobicContact CB-CE3 4.29Å; P399-W527 HydrophobicContact CB-CH2 4.01Å; P399-W527 HydrophobicContact CB-CZ2 3.77Å; P399-W527 HydrophobicContact CB-CZ3 4.26Å; P399-W527 HydrophobicContact CG-CD2 4.15Å; P399-W527 HydrophobicContact CG-CE3 4.4Å; P399-W527 HydrophobicContact CG-CG 4.46Å; P399-W527 WeakPolarHBondContact O-CZ2 3.23Å; P399-W527 PolarHBondContact O-NE1 2.97Å; P399-W527 VanDerWaalsContact O-NE1 3.14Å; L407-W527 HydrophobicContact CD1-CZ2 4.25Å; L407-W527 HydrophobicContact CD2-CH2 4.11Å; L407-W527 HydrophobicContact CD2-CZ2 3.88Å; R523-W527 VanDerWaalsContact O-CB 3.32Å; R523-W527 WeakPolarHBondContact O-CB 3.38Å; R523-W527 PolarHBondContact O-N 3.19Å; Y524-W527 PolarHBondContact O-N 2.76Å; W527-K530 PolarHBondContact O-N 2.78Å; W527-H531 AromaticContact CD1-CE1 3.66Å; W527-H531 AromaticContact CD1-ND1 3.45Å; W527-H531 HydrophobicContact CD2-CB 4.11Å; W527-H531 AromaticContact CD2-ND1 3.46Å; W527-H531 AromaticContact CE2-CE1 3.95Å; W527-H531 AromaticContact CE2-CG 3.82Å; W527-H531 AromaticContact CE2-ND1 3.31Å; W527-H531 VanDerWaalsContact CE2-ND1 3.31Å; W527-H531 HydrophobicContact CE3-CB 4Å; W527-H531 AromaticContact CG-ND1 3.56Å; W527-H531 HydrophobicContact CH2-CB 3.77Å; W527-H531 HydrophobicContact CZ2-CB 3.87Å; W527-H531 AromaticContact CZ2-CG 3.97Å; W527-H531 AromaticContact CZ2-ND1 3.94Å; W527-H531 HydrophobicContact CZ3-CB 3.83Å; W527-H531 AromaticContact NE1-CE1 3.51Å; W527-H531 AromaticContact NE1-ND1 3.3Å; W527-H531 PolarHBondContact NE1-ND1 2.93Å; W527-H531 WeakPolarHBondContact O-CB 3.3Å; W527-H531 PolarHBondContact O-N 3.01Å; W527-H531 PolarHBondContact O-ND1 2.76Å
528E87.1Confident78.5Confident32 Ų3287.2 Ų87.215%0.1543%0.426CS..Hα-helixtrans-57.7-55173.5178.7-179.2-13900110.3Y287 Y524 K530 H531 K532Y287-E528 WeakPolarHBondContact OH-CB 3.3Å; Y287-E528 WeakPolarHBondContact OH-CG 3.25Å; Y524-E528 WeakPolarHBondContact O-CB 3.5Å; Y524-E528 PolarHBondContact O-N 2.99Å; E528-K530 PolarHBondContact O-N 2.68Å; E528-H531 PolarHBondContact O-N 2.7Å; E528-K532 HydrophobicContact CG-CB 3.86Å; E528-K532 HydrophobicContact CG-CD 3.73Å; E528-K532 HydrophobicContact CG-CG 4.09Å; E528-K532 WeakPolarHBondContact O-CB 3.45Å; E528-K532 PolarHBondContact O-N 3.4Å; E528-K532 WeakPolarHBondContact OE1-CE 3.08Å; E528-K532 IonicContact OE1-NZ 3.69Å; E528-K532 PolarHBondContact OE1-NZ 3.08Å
529K87.1Confident79.2Confident174 Ų17485.1 Ų85.176%0.75742%0.417SS*.Hα-helixtrans-53.9-22.5178.1-76.5171.1-179.4175.20114.2T525 I526T525-K529 HydrophobicContact CG2-CD 4.46Å; T525-K529 WeakPolarHBondContact O-CB 3.48Å; T525-K529 VanDerWaalsContact O-CG 3.28Å; T525-K529 WeakPolarHBondContact O-CG 3.28Å; T525-K529 PolarHBondContact O-N 2.89Å; I526-K529 PolarHBondContact O-N 3.02Å
530K85.8Confident79.8Confident165 Ų16580.7 Ų80.772%0.71739%0.391SS*.Hα-helixtrans-96.4-24.8176.3-175.6176.5168.7-178.20114.5I526 W527 E528I526-K530 PolarHBondContact O-N 3.43Å; W527-K530 PolarHBondContact O-N 2.78Å; E528-K530 PolarHBondContact O-N 2.68Å
531H80.3Confident80.2Confident33 Ų3382.4 Ų82.415%0.15340%0.398CS..Hα-helixtrans-135.25.6-168.4-51.2107000115.6R413 W527 E528R413-H531 PolarHBondContact NH1-O 3.05Å; W527-H531 AromaticContact CD1-CE1 3.66Å; W527-H531 AromaticContact CD1-ND1 3.45Å; W527-H531 HydrophobicContact CD2-CB 4.11Å; W527-H531 AromaticContact CD2-ND1 3.46Å; W527-H531 AromaticContact CE2-CE1 3.95Å; W527-H531 AromaticContact CE2-CG 3.82Å; W527-H531 AromaticContact CE2-ND1 3.31Å; W527-H531 VanDerWaalsContact CE2-ND1 3.31Å; W527-H531 HydrophobicContact CE3-CB 4Å; W527-H531 AromaticContact CG-ND1 3.56Å; W527-H531 HydrophobicContact CH2-CB 3.77Å; W527-H531 HydrophobicContact CZ2-CB 3.87Å; W527-H531 AromaticContact CZ2-CG 3.97Å; W527-H531 AromaticContact CZ2-ND1 3.94Å; W527-H531 HydrophobicContact CZ3-CB 3.83Å; W527-H531 AromaticContact NE1-CE1 3.51Å; W527-H531 AromaticContact NE1-ND1 3.3Å; W527-H531 PolarHBondContact NE1-ND1 2.93Å; W527-H531 WeakPolarHBondContact O-CB 3.3Å; W527-H531 PolarHBondContact O-N 3.01Å; W527-H531 PolarHBondContact O-ND1 2.76Å; E528-H531 PolarHBondContact O-N 2.7Å
532K73.3Confident80.4Confident105 Ų10584.5 Ų84.546%0.45741%0.407SS..  trans-59.8136174.4-170.8170.5-165.9143.90110.6E528 V534E528-K532 HydrophobicContact CG-CB 3.86Å; E528-K532 HydrophobicContact CG-CD 3.73Å; E528-K532 HydrophobicContact CG-CG 4.09Å; E528-K532 WeakPolarHBondContact O-CB 3.45Å; E528-K532 PolarHBondContact O-N 3.4Å; E528-K532 WeakPolarHBondContact OE1-CE 3.08Å; E528-K532 IonicContact OE1-NZ 3.69Å; E528-K532 PolarHBondContact OE1-NZ 3.08Å; K532-V534 WeakPolarHBondContact CE-O 3.29Å; K532-V534 WeakPolarHBondContact CE-OXT 3.46Å; K532-V534 VanDerWaalsContact CG-O 3.23Å; K532-V534 WeakPolarHBondContact CG-O 3.05Å
533S59.1Low80.2Confident56 Ų5681.9 Ų81.939%0.39239%0.39SS..  trans-105.3-22.1175.7-174.80000113.3E411E411-S533 WeakPolarHBondContact O-CB 3.32Å; E411-S533 PolarHBondContact O-OG 3.23Å
534V53.1Low79.5Confident99 Ų9976.2 Ų76.260%0.638%0.376SS*.  trans-149.40173.8-174.10000107.2L259 K412 K532L259-V534 HydrophobicContact CD2-CB 4.2Å; L259-V534 HydrophobicContact CD2-CG1 3.59Å; K412-V534 HydrophobicContact CG-CG2 4.33Å; K532-V534 WeakPolarHBondContact CE-O 3.29Å; K532-V534 WeakPolarHBondContact CE-OXT 3.46Å; K532-V534 VanDerWaalsContact CG-O 3.23Å; K532-V534 WeakPolarHBondContact CG-O 3.05Å

Retrieved 534 of 534 residues in 418.7 ms (Link to these results)

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