A0A060XPS2_ONCMY Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB , UniProt , Accession A0A060XPS2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490329, Length 425 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
1M53.8Low72.4Confident190 Ų190106.8 Ų106.894%0.93651%0.514SS*.  0-74.70-60.6-58-84.500107.4Y3 L4M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.33Å; M1-L4 PolarHBondContact O-N 3.23Å
2L61.4Low73.5Confident121 Ų121110.1 Ų110.163%0.63453%0.528SS*.Hα-helixtrans-29.6-54177.4-61.1173.4000116.4L4 E5 D6L2-L4 PolarHBondContact O-N 3.12Å; L2-E5 WeakPolarHBondContact CA-OE2 3.39Å; L2-E5 PolarHBondContact N-OE2 3.12Å; L2-E5 VanDerWaalsContact N-OE2 3.1Å; L2-E5 CarbonylContact O-C 3.52Å; L2-E5 WeakPolarHBondContact O-CA 3.5Å; L2-E5 WeakPolarHBondContact O-CB 3.33Å; L2-E5 PolarHBondContact O-N 3.42Å; L2-D6 PolarHBondContact O-N 2.86Å
3Y66.2Low74.2Confident119 Ų119108.7 Ų108.747%0.46752%0.52SS..Hα-helixtrans-54.2-30-179.2-47.3-68.7000115.3M1 Y7 F104 E107M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.33Å; Y3-Y7 VanDerWaalsContact O-CB 3.27Å; Y3-Y7 WeakPolarHBondContact O-CB 3.47Å; Y3-Y7 PolarHBondContact O-N 2.92Å; Y3-F104 HydrophobicContact CD1-CD2 4.35Å; Y3-F104 HydrophobicContact CD2-CE2 4.16Å; Y3-F104 HydrophobicContact CG-CD2 4.24Å; Y3-F104 HydrophobicContact CG-CE2 4.2Å; Y3-E107 PolarHBondContact OH-OE1 2.88Å
4L70.2Confident75.2Confident116 Ų116102.8 Ų102.861%0.60749%0.493SS*.Hα-helixtrans-80.2-29.6175.1-165.773.9000111.5M1 L2 L8M1-L4 PolarHBondContact O-N 3.23Å; L2-L4 PolarHBondContact O-N 3.12Å; L4-L8 HydrophobicContact CD2-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.09Å; L4-L8 VanDerWaalsContact O-CB 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.14Å; L4-L8 WeakPolarHBondContact O-CD1 3.08Å; L4-L8 WeakPolarHBondContact O-CG 3.17Å; L4-L8 PolarHBondContact O-N 3.32Å
5E75.4Confident76.2Confident109 Ų10999.6 Ų99.651%0.50948%0.484SS..Hα-helixtrans-71.8-48.2177-67.2159.9116.400109.5L2 Y7 L8 E9L2-E5 WeakPolarHBondContact CA-OE2 3.39Å; L2-E5 PolarHBondContact N-OE2 3.12Å; L2-E5 VanDerWaalsContact N-OE2 3.1Å; L2-E5 CarbonylContact O-C 3.52Å; L2-E5 WeakPolarHBondContact O-CA 3.5Å; L2-E5 WeakPolarHBondContact O-CB 3.33Å; L2-E5 PolarHBondContact O-N 3.42Å; E5-Y7 VanDerWaalsContact C-N 3.33Å; E5-Y7 PolarHBondContact O-N 2.94Å; E5-L8 PolarHBondContact O-N 3.06Å; E5-E9 WeakPolarHBondContact O-CB 3.32Å; E5-E9 PolarHBondContact O-N 3.2Å
6D73.5Confident77.1Confident83 Ų8398.8 Ų98.844%0.44448%0.48SS..Hα-helixtrans-55.8-44.2172.2-68.113.6000112L2 M10L2-D6 PolarHBondContact O-N 2.86Å; D6-M10 WeakPolarHBondContact O-CB 3.46Å; D6-M10 PolarHBondContact O-N 3.35Å; D6-M10 VanDerWaalsContact O-N 3.1Å
7Y77.4Confident77.9Confident103 Ų10395.9 Ų95.940%0.40447%0.467SS..Hα-helixtrans-66.8-38.9178.6-176.7-89.9000112.5Y3 E5 I11 L97Y3-Y7 VanDerWaalsContact O-CB 3.27Å; Y3-Y7 WeakPolarHBondContact O-CB 3.47Å; Y3-Y7 PolarHBondContact O-N 2.92Å; E5-Y7 VanDerWaalsContact C-N 3.33Å; E5-Y7 PolarHBondContact O-N 2.94Å; Y7-I11 HydrophobicContact CD1-CD1 3.91Å; Y7-I11 HydrophobicContact CE1-CD1 3.34Å; Y7-I11 HydrophobicContact CE2-CD1 4.42Å; Y7-I11 WeakPolarHBondContact O-CG1 3.26Å; Y7-I11 PolarHBondContact O-N 3.44Å; Y7-L97 HydrophobicContact CD2-CD2 3.9Å; Y7-L97 HydrophobicContact CE2-CD2 3.4Å
8L79.6Confident78.7Confident99 Ų9992.5 Ų92.552%0.51845%0.452SS..Hα-helixtrans-71.9-43.4177.3-75.2168.7000111.7L4 E5 M10 I11 E12L4-L8 HydrophobicContact CD2-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.09Å; L4-L8 VanDerWaalsContact O-CB 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.14Å; L4-L8 WeakPolarHBondContact O-CD1 3.08Å; L4-L8 WeakPolarHBondContact O-CG 3.17Å; L4-L8 PolarHBondContact O-N 3.32Å; E5-L8 PolarHBondContact O-N 3.06Å; L8-M10 VanDerWaalsContact C-N 3.26Å; L8-M10 PolarHBondContact O-N 3.37Å; L8-I11 CarbonylContact O-C 3.38Å; L8-I11 PolarHBondContact O-N 3.05Å; L8-E12 WeakPolarHBondContact O-CB 3.43Å; L8-E12 PolarHBondContact O-N 2.82Å
9E80.7Confident79.5Confident147 Ų14795.2 Ų95.269%0.68746%0.456SS*.Hα-helixtrans-58.8-39.2175.6-174.8173.9-170.600111.1E5 I11E5-E9 WeakPolarHBondContact O-CB 3.32Å; E5-E9 PolarHBondContact O-N 3.2Å; E9-I11 VanDerWaalsContact C-N 3.28Å; E9-I11 PolarHBondContact O-N 3.33Å
10M75.6Confident80.3Confident42 Ų4295.6 Ų95.621%0.20746%0.461CS..Hα-helixtrans-70.3-20176.9-169.1164.36900114.4D6 L8 H93 K96 L97 E100D6-M10 WeakPolarHBondContact O-CB 3.46Å; D6-M10 PolarHBondContact O-N 3.35Å; D6-M10 VanDerWaalsContact O-N 3.1Å; L8-M10 VanDerWaalsContact C-N 3.26Å; L8-M10 PolarHBondContact O-N 3.37Å; M10-H93 PolarHBondContact O-ND1 3.2Å; M10-K96 HydrophobicContact CE-CB 4.07Å; M10-K96 HydrophobicContact CG-CD 4.41Å; M10-K96 HydrophobicContact SD-CB 3.73Å; M10-K96 HydrophobicContact SD-CD 4.03Å; M10-K96 HydrophobicContact SD-CG 4.31Å; M10-L97 HydrophobicContact CE-CD2 3.76Å; M10-L97 HydrophobicContact CE-CG 4.23Å; M10-E100 HydrophobicContact CE-CB 4.07Å; M10-E100 HydrophobicContact CE-CG 3.75Å; M10-E100 HydrophobicContact SD-CG 4.34Å
11I82.1Confident81Confident46 Ų4695.1 Ų95.124%0.23645%0.454CS..Hα-helixtrans-97.8-30.5176.6-67.8178.6000112.3Y7 L8 E9 Q13 L14 P15 L97Y7-I11 HydrophobicContact CD1-CD1 3.91Å; Y7-I11 HydrophobicContact CE1-CD1 3.34Å; Y7-I11 HydrophobicContact CE2-CD1 4.42Å; Y7-I11 WeakPolarHBondContact O-CG1 3.26Å; Y7-I11 PolarHBondContact O-N 3.44Å; L8-I11 CarbonylContact O-C 3.38Å; L8-I11 PolarHBondContact O-N 3.05Å; E9-I11 VanDerWaalsContact C-N 3.28Å; E9-I11 PolarHBondContact O-N 3.33Å; I11-Q13 VanDerWaalsContact C-N 3.25Å; I11-Q13 PolarHBondContact O-N 2.98Å; I11-L14 WeakPolarHBondContact O-CB 3.42Å; I11-L14 PolarHBondContact O-N 2.96Å; I11-P15 WeakPolarHBondContact O-CD 3.41Å; I11-L97 HydrophobicContact CD1-CD1 4.43Å; I11-L97 HydrophobicContact CD1-CD2 3.75Å; I11-L97 HydrophobicContact CG1-CD1 4.5Å; I11-L97 HydrophobicContact CG1-CD2 3.81Å
12E85.8Confident83Confident146 Ų14691.2 Ų91.268%0.68243%0.433SS*.Hα-helixtrans-52.2-39.4-167.5-176166-154.700113.8L8L8-E12 WeakPolarHBondContact O-CB 3.43Å; L8-E12 PolarHBondContact O-N 2.82Å
13Q83Confident84.7Confident92 Ų9289.8 Ų89.843%0.4343%0.429SS..THydrogen-bonded Turntrans-75.1-29.2179.1-170.960.93700113.8I11 M16 D17I11-Q13 VanDerWaalsContact C-N 3.25Å; I11-Q13 PolarHBondContact O-N 2.98Å; Q13-M16 WeakPolarHBondContact O-CA 3.29Å; Q13-M16 WeakPolarHBondContact O-CB 3.46Å; Q13-M16 PolarHBondContact O-N 3.45Å; Q13-D17 PolarHBondContact NE2-OD1 3.09Å; Q13-D17 PolarHBondContact O-N 2.95Å
14L87.6Confident86.1Confident26 Ų2687.7 Ų87.714%0.13642%0.423CS..Hα-helixtrans-60.8-43.6-172.6174.767.4000113.1I11 M16 D17 L18 L89 H93I11-L14 WeakPolarHBondContact O-CB 3.42Å; I11-L14 PolarHBondContact O-N 2.96Å; L14-M16 PolarHBondContact O-N 3.48Å; L14-D17 PolarHBondContact O-N 3.02Å; L14-L18 HydrophobicContact CD1-CD1 3.79Å; L14-L18 HydrophobicContact CD1-CD2 4.47Å; L14-L18 HydrophobicContact CD1-CG 3.82Å; L14-L18 HydrophobicContact CG-CD1 3.83Å; L14-L18 HydrophobicContact CG-CG 4.28Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 3.27Å; L14-L89 HydrophobicContact CD1-CD2 4.23Å; L14-L89 HydrophobicContact CD1-CG 4.04Å; L14-H93 HydrophobicContact CD1-CB 4.35Å; L14-H93 HydrophobicContact CD2-CB 3.86Å
15P90.7Very high87.4Confident55 Ų5583.9 Ų83.936%0.35740%0.403SS..Hα-helixtrans-62.8-22.9172.3-25.835.2000114.8I11 R19I11-P15 WeakPolarHBondContact O-CD 3.41Å; P15-R19 VanDerWaalsContact O-CG 3.29Å; P15-R19 WeakPolarHBondContact O-CG 3.32Å; P15-R19 PolarHBondContact O-N 2.87Å; P15-R19 PolarHBondContact O-NE 3.24Å; P15-R19 PolarHBondContact O-NH1 3.34Å
16M90Very high88.4Confident86 Ų8688 Ų8842%0.42441%0.414SS..Hα-helixtrans-75.7-57172.8-72.217555.700109.9Q13 L14 L18 R19 D20Q13-M16 WeakPolarHBondContact O-CA 3.29Å; Q13-M16 WeakPolarHBondContact O-CB 3.46Å; Q13-M16 PolarHBondContact O-N 3.45Å; L14-M16 PolarHBondContact O-N 3.48Å; M16-L18 VanDerWaalsContact C-N 3.27Å; M16-L18 PolarHBondContact O-N 2.75Å; M16-R19 PolarHBondContact O-N 3.1Å; M16-D20 PolarHBondContact O-N 3.45Å; M16-D20 VanDerWaalsContact O-N 3.09Å
17D90.6Very high89.5Confident50 Ų5090.6 Ų90.627%0.26742%0.423SS..Hα-helixtrans-56.6-40.4-178.6-66.9-1.2000112.1Q13 L14 D20 R21 L89Q13-D17 PolarHBondContact NE2-OD1 3.09Å; Q13-D17 PolarHBondContact O-N 2.95Å; L14-D17 PolarHBondContact O-N 3.02Å; D17-D20 PolarHBondContact O-N 3.03Å; D17-R21 WeakPolarHBondContact O-CB 3.5Å; D17-R21 WeakPolarHBondContact O-CG 3.5Å; D17-R21 PolarHBondContact O-N 2.96Å; D17-L89 HydrophobicContact CB-CD2 3.79Å
18L92.9Very high90.4Very high35 Ų3587 Ų8718%0.18341%0.41CS..Hα-helixtrans-65-41175.3-74.6174.2000112.9L14 M16 D20 R21 F22 I86 L89 V90L14-L18 HydrophobicContact CD1-CD1 3.79Å; L14-L18 HydrophobicContact CD1-CD2 4.47Å; L14-L18 HydrophobicContact CD1-CG 3.82Å; L14-L18 HydrophobicContact CG-CD1 3.83Å; L14-L18 HydrophobicContact CG-CG 4.28Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 3.27Å; M16-L18 VanDerWaalsContact C-N 3.27Å; M16-L18 PolarHBondContact O-N 2.75Å; L18-D20 VanDerWaalsContact C-N 3.32Å; L18-D20 PolarHBondContact O-N 2.97Å; L18-R21 PolarHBondContact O-N 3.49Å; L18-F22 HydrophobicContact CB-CD2 4.25Å; L18-F22 HydrophobicContact CB-CE2 4.2Å; L18-F22 HydrophobicContact CD2-CE2 4.1Å; L18-F22 WeakPolarHBondContact O-CB 3.48Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 WeakPolarHBondContact O-CG 3.36Å; L18-F22 PolarHBondContact O-N 3.42Å; L18-I86 HydrophobicContact CD2-CG2 4Å; L18-L89 HydrophobicContact CD2-CD2 4.1Å; L18-L89 HydrophobicContact CG-CD2 4.4Å; L18-V90 HydrophobicContact CD2-CG2 3.84Å
19R94.6Very high91.2Very high143 Ų14385.2 Ų85.254%0.5440%0.401SS..Hα-helixtrans-63.8-40.8177.9-80.8-174.2-57.9-96.94.9111.3P15 M16 T23P15-R19 VanDerWaalsContact O-CG 3.29Å; P15-R19 WeakPolarHBondContact O-CG 3.32Å; P15-R19 PolarHBondContact O-N 2.87Å; P15-R19 PolarHBondContact O-NE 3.24Å; P15-R19 PolarHBondContact O-NH1 3.34Å; M16-R19 PolarHBondContact O-N 3.1Å; R19-T23 WeakPolarHBondContact O-CB 3.41Å; R19-T23 PolarHBondContact O-N 3.04Å; R19-T23 PolarHBondContact O-OG1 3.2Å
20D95.3Very high92Very high103 Ų10383 Ų8355%0.55139%0.394SS*.Hα-helixtrans-67-47.2179.9-66.4-5.7000110M16 D17 L18 F22 T23 E24M16-D20 PolarHBondContact O-N 3.45Å; M16-D20 VanDerWaalsContact O-N 3.09Å; D17-D20 PolarHBondContact O-N 3.03Å; L18-D20 VanDerWaalsContact C-N 3.32Å; L18-D20 PolarHBondContact O-N 2.97Å; D20-F22 PolarHBondContact O-N 3.36Å; D20-T23 WeakPolarHBondContact O-CB 3.38Å; D20-T23 PolarHBondContact O-N 2.94Å; D20-T23 VanDerWaalsContact O-N 3.12Å; D20-E24 WeakPolarHBondContact O-CB 3.29Å; D20-E24 PolarHBondContact O-N 3.02Å
21R94Very high93Very high86 Ų8684.9 Ų84.933%0.32540%0.402SS..Hα-helixtrans-66-36.7177.5-63.4-75.9152.3-151.8-25.4113.6D17 L18 T23 E24 M25 I86D17-R21 WeakPolarHBondContact O-CB 3.5Å; D17-R21 WeakPolarHBondContact O-CG 3.5Å; D17-R21 PolarHBondContact O-N 2.96Å; L18-R21 PolarHBondContact O-N 3.49Å; R21-T23 VanDerWaalsContact C-N 3.31Å; R21-E24 WeakPolarHBondContact CD-OE2 3.46Å; R21-E24 IonicContact CZ-OE2 2.71Å; R21-E24 IonicContact NE-OE2 3.88Å; R21-E24 VanDerWaalsContact NH1-CD 3.35Å; R21-E24 IonicContact NH1-OE1 2.62Å; R21-E24 PolarHBondContact NH1-OE1 3.15Å; R21-E24 VanDerWaalsContact NH1-OE1 3.16Å; R21-E24 IonicContact NH1-OE2 2.75Å; R21-E24 PolarHBondContact NH1-OE2 2.89Å; R21-E24 IonicContact NH2-OE2 2.74Å; R21-M25 WeakPolarHBondContact O-CB 3.21Å; R21-M25 PolarHBondContact O-N 3.15Å; R21-I86 HydrophobicContact CB-CD1 3.78Å; R21-I86 HydrophobicContact CB-CG1 3.62Å; R21-I86 HydrophobicContact CG-CG1 4.38Å
22F96.6Very high93.7Very high109 Ų10983.5 Ų83.548%0.47840%0.396SS..Hα-helixtrans-71.1-26.5172.8-75.5-54.2000112.7L18 D20 M25 R26 I86L18-F22 HydrophobicContact CB-CD2 4.25Å; L18-F22 HydrophobicContact CB-CE2 4.2Å; L18-F22 HydrophobicContact CD2-CE2 4.1Å; L18-F22 WeakPolarHBondContact O-CB 3.48Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 WeakPolarHBondContact O-CG 3.36Å; L18-F22 PolarHBondContact O-N 3.42Å; D20-F22 PolarHBondContact O-N 3.36Å; F22-M25 HydrophobicContact CD1-SD 4.36Å; F22-R26 WeakPolarHBondContact O-CB 3.39Å; F22-R26 PolarHBondContact O-N 2.75Å; F22-R26 VanDerWaalsContact O-N 3.11Å; F22-I86 HydrophobicContact CD1-CD1 3.88Å; F22-I86 HydrophobicContact CE1-CD1 3.95Å; F22-I86 HydrophobicContact CE1-CG2 4.19Å; F22-I86 HydrophobicContact CG-CD1 4.49Å; F22-I86 HydrophobicContact CZ-CG2 4.02Å
23T96.4Very high94.2Very high91 Ų9182.1 Ų82.156%0.55839%0.389SS*.Hα-helixtrans-72-46.8172.7-58.10000110.5R19 D20 R21 M25 R26 E27R19-T23 WeakPolarHBondContact O-CB 3.41Å; R19-T23 PolarHBondContact O-N 3.04Å; R19-T23 PolarHBondContact O-OG1 3.2Å; D20-T23 WeakPolarHBondContact O-CB 3.38Å; D20-T23 PolarHBondContact O-N 2.94Å; D20-T23 VanDerWaalsContact O-N 3.12Å; R21-T23 VanDerWaalsContact C-N 3.31Å; T23-M25 VanDerWaalsContact C-N 3.33Å; T23-M25 PolarHBondContact O-N 2.89Å; T23-R26 WeakPolarHBondContact O-CB 3.42Å; T23-R26 PolarHBondContact O-N 3.07Å; T23-R26 VanDerWaalsContact O-N 3.13Å; T23-E27 PolarHBondContact O-N 3.37Å
24E96.3Very high94.9Very high74 Ų7481.2 Ų81.235%0.34639%0.388SS..Hα-helixtrans-57.6-43173.1-166.6-178.1-174.600111.3D20 R21 R26 E27 M28 L82D20-E24 WeakPolarHBondContact O-CB 3.29Å; D20-E24 PolarHBondContact O-N 3.02Å; R21-E24 WeakPolarHBondContact CD-OE2 3.46Å; R21-E24 IonicContact CZ-OE2 2.71Å; R21-E24 IonicContact NE-OE2 3.88Å; R21-E24 VanDerWaalsContact NH1-CD 3.35Å; R21-E24 IonicContact NH1-OE1 2.62Å; R21-E24 PolarHBondContact NH1-OE1 3.15Å; R21-E24 VanDerWaalsContact NH1-OE1 3.16Å; R21-E24 IonicContact NH1-OE2 2.75Å; R21-E24 PolarHBondContact NH1-OE2 2.89Å; R21-E24 IonicContact NH2-OE2 2.74Å; E24-R26 VanDerWaalsContact C-N 3.34Å; E24-R26 PolarHBondContact O-N 3.11Å; E24-E27 PolarHBondContact O-N 3.21Å; E24-M28 WeakPolarHBondContact O-CG 3.27Å; E24-M28 PolarHBondContact O-N 3.07Å; E24-L82 HydrophobicContact CB-CD2 3.93Å; E24-L82 HydrophobicContact CG-CD1 4.35Å; E24-L82 HydrophobicContact CG-CD2 3.66Å
25M96.6Very high95.2Very high37 Ų3780.8 Ų80.818%0.18239%0.388CS..Hα-helixtrans-62-40.1174.7176.7173.4-78.700112.3R21 F22 T23 E27 M28 D29 L82 A83 I86R21-M25 WeakPolarHBondContact O-CB 3.21Å; R21-M25 PolarHBondContact O-N 3.15Å; F22-M25 HydrophobicContact CD1-SD 4.36Å; T23-M25 VanDerWaalsContact C-N 3.33Å; T23-M25 PolarHBondContact O-N 2.89Å; M25-E27 VanDerWaalsContact C-N 3.33Å; M25-M28 PolarHBondContact O-N 3.43Å; M25-D29 WeakPolarHBondContact O-CB 3.27Å; M25-D29 VanDerWaalsContact O-CG 3.3Å; M25-D29 PolarHBondContact O-N 3.07Å; M25-L82 HydrophobicContact CB-CD2 4.05Å; M25-A83 VanDerWaalsContact CE-CA 3.47Å; M25-A83 HydrophobicContact CE-CB 3.6Å; M25-I86 HydrophobicContact CE-CD1 3.73Å; M25-I86 HydrophobicContact SD-CD1 4.32Å
26R97.4Very high95.5Very high195 Ų19583.7 Ų83.774%0.73640%0.398SS*.Hα-helixtrans-69.9-30.1177.4-168.8-178.6-176.993.96.2112.6F22 T23 E24 L30F22-R26 WeakPolarHBondContact O-CB 3.39Å; F22-R26 PolarHBondContact O-N 2.75Å; F22-R26 VanDerWaalsContact O-N 3.11Å; T23-R26 WeakPolarHBondContact O-CB 3.42Å; T23-R26 PolarHBondContact O-N 3.07Å; T23-R26 VanDerWaalsContact O-N 3.13Å; E24-R26 VanDerWaalsContact C-N 3.34Å; E24-R26 PolarHBondContact O-N 3.11Å; R26-L30 WeakPolarHBondContact O-CB 3.44Å; R26-L30 PolarHBondContact O-N 3.44Å
27E96.6Very high95.8Very high137 Ų13783.7 Ų83.764%0.6440%0.4SS*.Hα-helixtrans-70.3-44.1172.1-172.2161-159.300110.8T23 E24 M25 L30 Q31T23-E27 PolarHBondContact O-N 3.37Å; E24-E27 PolarHBondContact O-N 3.21Å; M25-E27 VanDerWaalsContact C-N 3.33Å; E27-L30 PolarHBondContact O-N 3.29Å; E27-Q31 PolarHBondContact O-N 2.9Å
28M96Very high96Very high27 Ų2786.5 Ų86.513%0.13341%0.411CS..Hα-helixtrans-64.7-39.7173.8-68.3-57.1-64.100113.1E24 M25 L30 Q31 V32 D75 E78 K79 L82E24-M28 WeakPolarHBondContact O-CG 3.27Å; E24-M28 PolarHBondContact O-N 3.07Å; M25-M28 PolarHBondContact O-N 3.43Å; M28-L30 VanDerWaalsContact C-N 3.29Å; M28-L30 PolarHBondContact O-N 2.83Å; M28-Q31 PolarHBondContact O-N 2.93Å; M28-V32 WeakPolarHBondContact O-CG2 3.32Å; M28-V32 PolarHBondContact O-N 3.02Å; M28-D75 WeakPolarHBondContact CE-O 3.45Å; M28-E78 HydrophobicContact CE-CB 3.62Å; M28-K79 HydrophobicContact CB-CB 4.23Å; M28-L82 HydrophobicContact CG-CD2 4.25Å
29D96.9Very high96.1Very high62 Ų6285.8 Ų85.833%0.33241%0.408SS..Hα-helixtrans-53.9-48.1171-81.6-25.3000111.2M25 Q33 K79M25-D29 WeakPolarHBondContact O-CB 3.27Å; M25-D29 VanDerWaalsContact O-CG 3.3Å; M25-D29 PolarHBondContact O-N 3.07Å; D29-Q33 WeakPolarHBondContact O-CB 3.41Å; D29-Q33 PolarHBondContact O-N 3.36Å; D29-K79 WeakPolarHBondContact OD1-CD 3.44Å; D29-K79 WeakPolarHBondContact OD1-CE 3.13Å; D29-K79 IonicContact OD1-NZ 2.69Å; D29-K79 PolarHBondContact OD1-NZ 3.22Å
30L97Very high96.2Very high101 Ų10185.9 Ų85.953%0.52941%0.414SS..Hα-helixtrans-69.7-35.7-179.9-17659.7000111.7R26 E27 M28 N34R26-L30 WeakPolarHBondContact O-CB 3.44Å; R26-L30 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.29Å; M28-L30 VanDerWaalsContact C-N 3.29Å; M28-L30 PolarHBondContact O-N 2.83Å; L30-N34 WeakPolarHBondContact CD1-ND2 3.33Å; L30-N34 WeakPolarHBondContact CG-ND2 3.31Å; L30-N34 VanDerWaalsContact O-CB 3.3Å; L30-N34 WeakPolarHBondContact O-CB 3.36Å; L30-N34 PolarHBondContact O-N 3.24Å; L30-N34 PolarHBondContact O-ND2 3.03Å
31Q96.3Very high96.2Very high81 Ų8186.4 Ų86.438%0.37941%0.413SS..Hα-helixtrans-63.7-50.3174.1177.3160.6-49.900111.4E27 M28 Q33 N34 A35 D75E27-Q31 PolarHBondContact O-N 2.9Å; M28-Q31 PolarHBondContact O-N 2.93Å; Q31-Q33 PolarHBondContact O-N 2.91Å; Q31-N34 PolarHBondContact O-N 2.88Å; Q31-A35 WeakPolarHBondContact O-CB 3.25Å; Q31-A35 PolarHBondContact O-N 3.02Å; Q31-D75 PolarHBondContact NE2-OD1 3.49Å
32V96.8Very high96.2Very high18 Ų1884.7 Ų84.711%0.10941%0.407CS..Hα-helixtrans-59.8-47.5176.9173.10000110.7M28 A35 M36 D75 A76M28-V32 WeakPolarHBondContact O-CG2 3.32Å; M28-V32 PolarHBondContact O-N 3.02Å; V32-A35 PolarHBondContact O-N 3.32Å; V32-M36 WeakPolarHBondContact O-CG 3.3Å; V32-M36 PolarHBondContact O-N 3.39Å; V32-D75 VanDerWaalsContact CG2-C 3.48Å; V32-D75 HydrophobicContact CG2-CB 3.75Å; V32-D75 WeakPolarHBondContact CG2-O 3.42Å; V32-A76 HydrophobicContact CG1-CB 4.32Å; V32-A76 HydrophobicContact CG2-CB 4.26Å
33Q96.8Very high96.1Very high116 Ų11681.8 Ų81.854%0.54240%0.398SS..Hα-helixtrans-62.4-47.2179.9-173.3168.75.100111.7D29 Q31 A35 M36 D37D29-Q33 WeakPolarHBondContact O-CB 3.41Å; D29-Q33 PolarHBondContact O-N 3.36Å; Q31-Q33 PolarHBondContact O-N 2.91Å; Q33-A35 VanDerWaalsContact C-N 3.26Å; Q33-A35 PolarHBondContact O-N 2.88Å; Q33-M36 PolarHBondContact O-N 3.34Å; Q33-D37 VanDerWaalsContact O-CG 3.3Å; Q33-D37 PolarHBondContact O-N 3.12Å
34N96.5Very high96Very high74 Ų7482.3 Ų82.340%0.39640%0.397SS..Hα-helixtrans-60.2-35175-80.7-62.8000112.7L30 Q31 Q38L30-N34 WeakPolarHBondContact CD1-ND2 3.33Å; L30-N34 WeakPolarHBondContact CG-ND2 3.31Å; L30-N34 VanDerWaalsContact O-CB 3.3Å; L30-N34 WeakPolarHBondContact O-CB 3.36Å; L30-N34 PolarHBondContact O-N 3.24Å; L30-N34 PolarHBondContact O-ND2 3.03Å; Q31-N34 PolarHBondContact O-N 2.88Å; N34-Q38 VanDerWaalsContact O-CB 3.31Å; N34-Q38 WeakPolarHBondContact O-CB 3.16Å; N34-Q38 WeakPolarHBondContact O-CG 3.46Å; N34-Q38 PolarHBondContact O-N 3.21Å; N34-Q38 VanDerWaalsContact O-N 3.1Å; N34-Q38 PolarHBondContact O-NE2 3.45Å
35A95.4Very high95.7Very high17 Ų1783 Ų8314%0.1440%0.401CS..Hα-helixtrans-69.4-40177.100000111.8Q31 V32 Q33 L39 A72Q31-A35 WeakPolarHBondContact O-CB 3.25Å; Q31-A35 PolarHBondContact O-N 3.02Å; V32-A35 PolarHBondContact O-N 3.32Å; Q33-A35 VanDerWaalsContact C-N 3.26Å; Q33-A35 PolarHBondContact O-N 2.88Å; A35-L39 WeakPolarHBondContact O-CB 3.49Å; A35-L39 PolarHBondContact O-N 3.45Å; A35-A72 HydrophobicContact CB-CB 3.96Å
36M96.3Very high95.5Very high116 Ų11682 Ų8257%0.57140%0.395SS*.Hα-helixtrans-67.4-45.9174.7-68-159.575.800112.4V32 Q33 Q38 L39 E40V32-M36 WeakPolarHBondContact O-CG 3.3Å; V32-M36 PolarHBondContact O-N 3.39Å; Q33-M36 PolarHBondContact O-N 3.34Å; M36-Q38 VanDerWaalsContact C-N 3.35Å; M36-Q38 PolarHBondContact O-N 2.94Å; M36-L39 WeakPolarHBondContact O-CA 3.43Å; M36-L39 WeakPolarHBondContact O-CB 3.46Å; M36-L39 PolarHBondContact O-N 2.97Å; M36-E40 PolarHBondContact O-N 3.43Å
37D96.3Very high95.2Very high86 Ų8679.1 Ų79.146%0.4639%0.388SS..Hα-helixtrans-60.9-43.4178.1-67.9-9.7000111.1Q33 L39 E40 Q41Q33-D37 VanDerWaalsContact O-CG 3.3Å; Q33-D37 PolarHBondContact O-N 3.12Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 2.89Å; D37-E40 PolarHBondContact O-N 2.88Å; D37-Q41 PolarHBondContact O-N 3.49Å
38Q95.2Very high94.9Very high108 Ų10876.2 Ų76.251%0.50538%0.38SS..Hα-helixtrans-64.3-32.4173.9-76.6171.566.900113.1N34 M36 R42N34-Q38 VanDerWaalsContact O-CB 3.31Å; N34-Q38 WeakPolarHBondContact O-CB 3.16Å; N34-Q38 WeakPolarHBondContact O-CG 3.46Å; N34-Q38 PolarHBondContact O-N 3.21Å; N34-Q38 VanDerWaalsContact O-N 3.1Å; N34-Q38 PolarHBondContact O-NE2 3.45Å; M36-Q38 VanDerWaalsContact C-N 3.35Å; M36-Q38 PolarHBondContact O-N 2.94Å; Q38-R42 PolarHBondContact O-N 3.4Å; Q38-R42 VanDerWaalsContact O-N 3.15Å; Q38-R42 PolarHBondContact O-NE 3.28Å; Q38-R42 PolarHBondContact O-NH2 3.46Å
39L95.8Very high94.5Very high21 Ų2177.1 Ų77.111%0.1139%0.385CS..Hα-helixtrans-71.8-45.9176.5-175.669.6000110.8A35 M36 D37 Q41 R42 V43 I65 D68 Y69A35-L39 WeakPolarHBondContact O-CB 3.49Å; A35-L39 PolarHBondContact O-N 3.45Å; M36-L39 WeakPolarHBondContact O-CA 3.43Å; M36-L39 WeakPolarHBondContact O-CB 3.46Å; M36-L39 PolarHBondContact O-N 2.97Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 2.89Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.96Å; L39-R42 PolarHBondContact O-N 2.89Å; L39-V43 WeakPolarHBondContact O-CB 3.26Å; L39-V43 VanDerWaalsContact O-CG2 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 3.28Å; L39-I65 HydrophobicContact CD1-CG2 3.98Å; L39-I65 WeakPolarHBondContact CD1-O 3.06Å; L39-D68 HydrophobicContact CD1-CB 4.4Å; L39-Y69 HydrophobicContact CD2-CD2 3.82Å; L39-Y69 HydrophobicContact CD2-CG 4.39Å
40E95.6Very high93.9Very high144 Ų14474.8 Ų74.867%0.67337%0.374SS*.Hα-helixtrans-60.1-44.3175.3-176.3171.5-160.700111.1M36 D37 R42 V43 N44M36-E40 PolarHBondContact O-N 3.43Å; D37-E40 PolarHBondContact O-N 2.88Å; E40-R42 PolarHBondContact O-N 3.35Å; E40-V43 PolarHBondContact O-N 3.32Å; E40-N44 WeakPolarHBondContact O-CB 3.28Å; E40-N44 PolarHBondContact O-N 3.36Å
41Q95.5Very high93.2Very high114 Ų11479.5 Ų79.553%0.53339%0.391SS..Hα-helixtrans-56.5-50.3174.8-177.9178.7-15.900111.5D37 L39 V43 N44 E45D37-Q41 PolarHBondContact O-N 3.49Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.96Å; Q41-V43 VanDerWaalsContact C-N 3.35Å; Q41-V43 PolarHBondContact O-N 2.99Å; Q41-N44 PolarHBondContact O-N 3.43Å; Q41-E45 HydrophobicContact CG-CG 4.44Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.49Å; Q41-E45 PolarHBondContact NE2-OE1 3.08Å; Q41-E45 WeakPolarHBondContact O-CB 3.43Å; Q41-E45 WeakPolarHBondContact O-CG 3.38Å; Q41-E45 PolarHBondContact O-N 2.72Å
42R92.8Very high92.6Very high51 Ų5182.8 Ų82.819%0.19240%0.403CS..Hα-helixtrans-65.9-34.7179.7-78.3174.8-68.7111.6-5.3112.9Q38 L39 E40 F46 I65 D68Q38-R42 PolarHBondContact O-N 3.4Å; Q38-R42 VanDerWaalsContact O-N 3.15Å; Q38-R42 PolarHBondContact O-NE 3.28Å; Q38-R42 PolarHBondContact O-NH2 3.46Å; L39-R42 PolarHBondContact O-N 2.89Å; E40-R42 PolarHBondContact O-N 3.35Å; R42-F46 WeakPolarHBondContact O-CB 3.49Å; R42-F46 PolarHBondContact O-N 3.33Å; R42-I65 HydrophobicContact CB-CG1 4.24Å; R42-D68 IonicContact CZ-OD2 3.11Å; R42-D68 IonicContact NE-OD2 2.75Å; R42-D68 IonicContact NH1-OD2 2.76Å; R42-D68 PolarHBondContact NH1-OD2 2.89Å; R42-D68 VanDerWaalsContact NH2-CB 3.34Å; R42-D68 IonicContact NH2-OD2 3.19Å; R42-D68 PolarHBondContact NH2-OD2 3.41Å
43V94.6Very high92.1Very high48 Ų4884.7 Ų84.729%0.29141%0.413SS..Hα-helixtrans-64.9-43173.1168.70000111.3L39 E40 Q41 F46 F47 I65L39-V43 WeakPolarHBondContact O-CB 3.26Å; L39-V43 VanDerWaalsContact O-CG2 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 3.28Å; E40-V43 PolarHBondContact O-N 3.32Å; Q41-V43 VanDerWaalsContact C-N 3.35Å; Q41-V43 PolarHBondContact O-N 2.99Å; V43-F46 WeakPolarHBondContact O-CB 3.46Å; V43-F46 PolarHBondContact O-N 3.11Å; V43-F47 HydrophobicContact CG1-CD2 3.86Å; V43-F47 HydrophobicContact CG1-CE2 3.66Å; V43-F47 WeakPolarHBondContact O-CD2 3.42Å; V43-F47 PolarHBondContact O-N 2.96Å; V43-I65 HydrophobicContact CG2-CD1 4.21Å; V43-I65 HydrophobicContact CG2-CG1 4.42Å; V43-I65 HydrophobicContact CG2-CG2 3.72Å
44N94.3Very high91.8Very high102 Ų10286.2 Ų86.255%0.54542%0.418SS..Hα-helixtrans-65.8-48.8176.5-17628.7000111.9E40 Q41 F46 F47 V48E40-N44 WeakPolarHBondContact O-CB 3.28Å; E40-N44 PolarHBondContact O-N 3.36Å; Q41-N44 PolarHBondContact O-N 3.43Å; N44-F46 VanDerWaalsContact C-N 3.28Å; N44-F46 PolarHBondContact O-N 2.9Å; N44-F47 PolarHBondContact O-N 2.89Å; N44-F47 VanDerWaalsContact O-N 3.12Å; N44-V48 WeakPolarHBondContact O-CG2 3.41Å; N44-V48 PolarHBondContact O-N 3.28Å
45E91.1Very high91.2Very high89 Ų8987 Ų8742%0.41643%0.427SS..Hα-helixtrans-58-40.3175-74.2-178.7-162.300112.1Q41 V48 N49Q41-E45 HydrophobicContact CG-CG 4.44Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.49Å; Q41-E45 PolarHBondContact NE2-OE1 3.08Å; Q41-E45 WeakPolarHBondContact O-CB 3.43Å; Q41-E45 WeakPolarHBondContact O-CG 3.38Å; Q41-E45 PolarHBondContact O-N 2.72Å; E45-V48 PolarHBondContact O-N 2.81Å; E45-N49 VanDerWaalsContact O-CB 3.31Å; E45-N49 WeakPolarHBondContact O-CB 3.38Å; E45-N49 PolarHBondContact O-N 2.96Å; E45-N49 PolarHBondContact O-ND2 2.82Å
46F92.5Very high90.9Very high14 Ų1493 Ų936%0.06145%0.452CS..Hα-helixtrans-58-51172.2171.3-94.1000111.5R42 V43 N44 V48 N49 A50 W57 R58 Q61 M62 I65R42-F46 WeakPolarHBondContact O-CB 3.49Å; R42-F46 PolarHBondContact O-N 3.33Å; V43-F46 WeakPolarHBondContact O-CB 3.46Å; V43-F46 PolarHBondContact O-N 3.11Å; N44-F46 VanDerWaalsContact C-N 3.28Å; N44-F46 PolarHBondContact O-N 2.9Å; F46-V48 PolarHBondContact O-N 3.44Å; F46-N49 PolarHBondContact O-N 3.47Å; F46-A50 WeakPolarHBondContact O-CA 3.39Å; F46-A50 WeakPolarHBondContact O-CB 3.35Å; F46-A50 PolarHBondContact O-N 3.27Å; F46-W57 HydrophobicContact CD2-CZ3 4.46Å; F46-R58 HydrophobicContact CD2-CG 4.5Å; F46-R58 HydrophobicContact CE2-CB 4.36Å; F46-R58 HydrophobicContact CE2-CG 3.39Å; F46-R58 WeakPolarHBondContact CE2-O 3.12Å; F46-R58 HydrophobicContact CZ-CG 3.5Å; F46-Q61 HydrophobicContact CD2-CB 3.82Å; F46-Q61 HydrophobicContact CE2-CB 4.29Å; F46-M62 HydrophobicContact CE1-CE 3.77Å; F46-M62 HydrophobicContact CE2-CE 4.27Å; F46-M62 HydrophobicContact CZ-CE 3.53Å; F46-I65 HydrophobicContact CB-CD1 3.68Å; F46-I65 HydrophobicContact CD1-CD1 4.49Å; F46-I65 HydrophobicContact CD2-CD1 4.13Å; F46-I65 HydrophobicContact CG-CD1 3.87Å
47F90.4Very high90.7Very high135 Ų13590.7 Ų90.759%0.59244%0.437SS*.Hα-helixtrans-65.4-36.7179.5-79-62000113.6V43 N44 N49V43-F47 HydrophobicContact CG1-CD2 3.86Å; V43-F47 HydrophobicContact CG1-CE2 3.66Å; V43-F47 WeakPolarHBondContact O-CD2 3.42Å; V43-F47 PolarHBondContact O-N 2.96Å; N44-F47 PolarHBondContact O-N 2.89Å; N44-F47 VanDerWaalsContact O-N 3.12Å; F47-N49 VanDerWaalsContact C-N 3.32Å; F47-N49 PolarHBondContact O-N 3.44Å
48V90.6Very high90.3Very high76 Ų7691.4 Ų91.446%0.46143%0.433SS..Hα-helixtrans-65.1-35.1175.6170.90000112N44 E45 F46N44-V48 WeakPolarHBondContact O-CG2 3.41Å; N44-V48 PolarHBondContact O-N 3.28Å; E45-V48 PolarHBondContact O-N 2.81Å; F46-V48 PolarHBondContact O-N 3.44Å
49N88.7Confident90Very high46 Ų4693.6 Ų93.625%0.24644%0.444CS..Hα-helixtrans-102.1-18.4-173.7-66.5-35.3000114.4E45 F46 F47 K51 K52 N53 W57E45-N49 VanDerWaalsContact O-CB 3.31Å; E45-N49 WeakPolarHBondContact O-CB 3.38Å; E45-N49 PolarHBondContact O-N 2.96Å; E45-N49 PolarHBondContact O-ND2 2.82Å; F46-N49 PolarHBondContact O-N 3.47Å; F47-N49 VanDerWaalsContact C-N 3.32Å; F47-N49 PolarHBondContact O-N 3.44Å; N49-K51 PolarHBondContact O-N 3.06Å; N49-K51 VanDerWaalsContact O-N 3.09Å; N49-K52 PolarHBondContact O-N 3.04Å; N49-K52 PolarHBondContact OD1-NZ 3.15Å; N49-N53 PolarHBondContact O-N 2.97Å; N49-W57 HydrophobicContact CB-CH2 3.62Å; N49-W57 HydrophobicContact CB-CZ2 4.41Å; N49-W57 HydrophobicContact CB-CZ3 4.08Å
50A83.3Confident89.8Confident13 Ų1398.4 Ų98.411%0.10747%0.465CS..THydrogen-bonded Turntrans-60.6-22.6-179.800000114.4F46 R58F46-A50 WeakPolarHBondContact O-CA 3.39Å; F46-A50 WeakPolarHBondContact O-CB 3.35Å; F46-A50 PolarHBondContact O-N 3.27Å; A50-R58 HydrophobicContact CB-CG 4.28Å; A50-R58 PolarHBondContact O-NE 2.88Å; A50-R58 PolarHBondContact O-NH2 3.27Å
51K82.3Confident89.7Confident201 Ų20193.8 Ų93.887%0.87444%0.444SS*.THydrogen-bonded Turntrans-81.9-18.8172.9-67.4-179.3-179.6174.70114N49N49-K51 PolarHBondContact O-N 3.06Å; N49-K51 VanDerWaalsContact O-N 3.09Å
52K84.9Confident89.4Confident149 Ų14992.8 Ų92.865%0.64844%0.441SS*.THydrogen-bonded Turntrans-100.2-31-178.1-56.1173-167.5159.70112.2N49N49-K52 PolarHBondContact O-N 3.04Å; N49-K52 PolarHBondContact OD1-NZ 3.15Å
53N85.6Confident89.5Confident58 Ų5892.4 Ų92.431%0.3145%0.452SS..SBendtrans-97.6159.6-169.7-67.7-8.3000113.5N49 W57N49-N53 PolarHBondContact O-N 2.97Å; N53-W57 HydrophobicContact CB-CB 4.47Å; N53-W57 HydrophobicContact CB-CD2 3.81Å; N53-W57 HydrophobicContact CB-CE3 3.37Å; N53-W57 HydrophobicContact CB-CG 4.3Å; N53-W57 HydrophobicContact CB-CZ3 3.92Å; N53-W57 VanDerWaalsContact ND2-CD2 3.26Å; N53-W57 VanDerWaalsContact ND2-CE2 3.29Å; N53-W57 VanDerWaalsContact ND2-CE3 3.26Å; N53-W57 WeakPolarHBondContact ND2-CH2 3.45Å; N53-W57 VanDerWaalsContact ND2-CZ2 3.33Å; N53-W57 WeakPolarHBondContact ND2-CZ2 3.5Å; N53-W57 VanDerWaalsContact ND2-CZ3 3.32Å; N53-W57 WeakPolarHBondContact ND2-CZ3 3.3Å
54K89.8Confident89.5Confident148 Ų14892.7 Ų92.764%0.64345%0.454SS*.  trans-61.7155.1176.4-70.9-178.1179.3179.60112.3E56 W57 R58K54-E56 VanDerWaalsContact C-N 3.28Å; K54-E56 PolarHBondContact O-N 3.47Å; K54-W57 PolarHBondContact O-N 3.17Å; K54-R58 PolarHBondContact O-N 3.47Å
55P85.1Confident89.5Confident90 Ų9088.7 Ų88.758%0.58443%0.432SS*.Hα-helixtrans-60.9-35.1176.525-34.6000113.2R58 E59P55-R58 CarbonylContact O-C 3.52Å; P55-R58 WeakPolarHBondContact O-CA 3.39Å; P55-R58 VanDerWaalsContact O-CB 3.26Å; P55-R58 WeakPolarHBondContact O-CB 3.35Å; P55-R58 PolarHBondContact O-N 2.94Å; P55-E59 PolarHBondContact O-N 3.24Å
56E88.4Confident89.7Confident143 Ų14390.1 Ų90.167%0.66844%0.437SS*.Hα-helixtrans-56.6-51.3177.1-175.4175.3-148.700112.5K54 R58 E59 E60K54-E56 VanDerWaalsContact C-N 3.28Å; K54-E56 PolarHBondContact O-N 3.47Å; E56-R58 VanDerWaalsContact C-N 3.26Å; E56-R58 PolarHBondContact O-N 3.43Å; E56-E59 PolarHBondContact O-N 2.67Å; E56-E60 PolarHBondContact O-N 3.1Å
57W91.2Very high89.9Confident69 Ų6996.5 Ų96.526%0.26147%0.465SS..Hα-helixtrans-60.8-34.8172.1178.185.4000112.4F46 N49 N53 K54 E59 E60 Q61F46-W57 HydrophobicContact CD2-CZ3 4.46Å; N49-W57 HydrophobicContact CB-CH2 3.62Å; N49-W57 HydrophobicContact CB-CZ2 4.41Å; N49-W57 HydrophobicContact CB-CZ3 4.08Å; N53-W57 HydrophobicContact CB-CB 4.47Å; N53-W57 HydrophobicContact CB-CD2 3.81Å; N53-W57 HydrophobicContact CB-CE3 3.37Å; N53-W57 HydrophobicContact CB-CG 4.3Å; N53-W57 HydrophobicContact CB-CZ3 3.92Å; N53-W57 VanDerWaalsContact ND2-CD2 3.26Å; N53-W57 VanDerWaalsContact ND2-CE2 3.29Å; N53-W57 VanDerWaalsContact ND2-CE3 3.26Å; N53-W57 WeakPolarHBondContact ND2-CH2 3.45Å; N53-W57 VanDerWaalsContact ND2-CZ2 3.33Å; N53-W57 WeakPolarHBondContact ND2-CZ2 3.5Å; N53-W57 VanDerWaalsContact ND2-CZ3 3.32Å; N53-W57 WeakPolarHBondContact ND2-CZ3 3.3Å; K54-W57 PolarHBondContact O-N 3.17Å; W57-E59 VanDerWaalsContact C-N 3.34Å; W57-E60 PolarHBondContact O-N 3.35Å; W57-Q61 HydrophobicContact CD2-CG 3.8Å; W57-Q61 VanDerWaalsContact CE2-CG 3.43Å; W57-Q61 HydrophobicContact CE3-CG 4.18Å; W57-Q61 HydrophobicContact CG-CG 4.36Å; W57-Q61 HydrophobicContact CH2-CG 3.94Å; W57-Q61 HydrophobicContact CZ2-CG 3.54Å; W57-Q61 HydrophobicContact CZ3-CG 4.24Å; W57-Q61 WeakPolarHBondContact O-CB 3.44Å; W57-Q61 VanDerWaalsContact O-CG 3.29Å; W57-Q61 WeakPolarHBondContact O-CG 3.32Å; W57-Q61 PolarHBondContact O-N 3.04Å
58R88.1Confident90.1Very high100 Ų10091.9 Ų91.938%0.37745%0.446SS..Hα-helixtrans-67.9-35.3178.4-161.5-170.6-58.81301.2111.6F46 A50 K54 P55 E56 M62F46-R58 HydrophobicContact CD2-CG 4.5Å; F46-R58 HydrophobicContact CE2-CB 4.36Å; F46-R58 HydrophobicContact CE2-CG 3.39Å; F46-R58 WeakPolarHBondContact CE2-O 3.12Å; F46-R58 HydrophobicContact CZ-CG 3.5Å; A50-R58 HydrophobicContact CB-CG 4.28Å; A50-R58 PolarHBondContact O-NE 2.88Å; A50-R58 PolarHBondContact O-NH2 3.27Å; K54-R58 PolarHBondContact O-N 3.47Å; P55-R58 CarbonylContact O-C 3.52Å; P55-R58 WeakPolarHBondContact O-CA 3.39Å; P55-R58 VanDerWaalsContact O-CB 3.26Å; P55-R58 WeakPolarHBondContact O-CB 3.35Å; P55-R58 PolarHBondContact O-N 2.94Å; E56-R58 VanDerWaalsContact C-N 3.26Å; E56-R58 PolarHBondContact O-N 3.43Å; R58-M62 VanDerWaalsContact O-CB 3.26Å; R58-M62 WeakPolarHBondContact O-CB 3.48Å; R58-M62 PolarHBondContact O-N 3.48Å; R58-M62 VanDerWaalsContact O-N 3.1Å
59E89.9Confident90.4Very high154 Ų15494.4 Ų94.472%0.7245%0.448SS*.Hα-helixtrans-72-43.5175.5-171.3163.9-160.700111.5P55 E56 W57 M62 G63P55-E59 PolarHBondContact O-N 3.24Å; E56-E59 PolarHBondContact O-N 2.67Å; W57-E59 VanDerWaalsContact C-N 3.34Å; E59-M62 PolarHBondContact O-N 3.31Å; E59-G63 PolarHBondContact O-N 2.95Å
60E91.6Very high90.8Very high122 Ų12297.5 Ų97.557%0.5746%0.458SS*.Hα-helixtrans-57-52.1173.5-178.4-176.9-134.100112.1E56 W57 M62 G63 V64E56-E60 PolarHBondContact O-N 3.1Å; W57-E60 PolarHBondContact O-N 3.35Å; E60-M62 VanDerWaalsContact C-N 3.34Å; E60-M62 PolarHBondContact O-N 3.2Å; E60-G63 WeakPolarHBondContact O-CA 3.31Å; E60-G63 PolarHBondContact O-N 3.35Å; E60-G63 VanDerWaalsContact O-N 3.08Å; E60-V64 PolarHBondContact O-N 3.2Å
61Q92.3Very high91.3Very high48 Ų48101.3 Ų101.322%0.22447%0.471CS..Hα-helixtrans-66.5-34.2179.9-66.2-55.6-63.800112.9F46 W57 G63 V64 I65F46-Q61 HydrophobicContact CD2-CB 3.82Å; F46-Q61 HydrophobicContact CE2-CB 4.29Å; W57-Q61 HydrophobicContact CD2-CG 3.8Å; W57-Q61 VanDerWaalsContact CE2-CG 3.43Å; W57-Q61 HydrophobicContact CE3-CG 4.18Å; W57-Q61 HydrophobicContact CG-CG 4.36Å; W57-Q61 HydrophobicContact CH2-CG 3.94Å; W57-Q61 HydrophobicContact CZ2-CG 3.54Å; W57-Q61 HydrophobicContact CZ3-CG 4.24Å; W57-Q61 WeakPolarHBondContact O-CB 3.44Å; W57-Q61 VanDerWaalsContact O-CG 3.29Å; W57-Q61 WeakPolarHBondContact O-CG 3.32Å; W57-Q61 PolarHBondContact O-N 3.04Å; Q61-G63 VanDerWaalsContact C-N 3.3Å; Q61-G63 PolarHBondContact O-N 3.02Å; Q61-V64 PolarHBondContact O-N 3.14Å; Q61-I65 WeakPolarHBondContact O-CB 3.27Å; Q61-I65 VanDerWaalsContact O-CG1 3.3Å; Q61-I65 WeakPolarHBondContact O-CG1 3.42Å; Q61-I65 PolarHBondContact O-N 3.45Å
62M90.9Very high92Very high93 Ų9392.1 Ų92.146%0.45843%0.433SS..Hα-helixtrans-63.6-37.5171.4-177.959.360.600111.3F46 R58 E59 E60 K66F46-M62 HydrophobicContact CE1-CE 3.77Å; F46-M62 HydrophobicContact CE2-CE 4.27Å; F46-M62 HydrophobicContact CZ-CE 3.53Å; R58-M62 VanDerWaalsContact O-CB 3.26Å; R58-M62 WeakPolarHBondContact O-CB 3.48Å; R58-M62 PolarHBondContact O-N 3.48Å; R58-M62 VanDerWaalsContact O-N 3.1Å; E59-M62 PolarHBondContact O-N 3.31Å; E60-M62 VanDerWaalsContact C-N 3.34Å; E60-M62 PolarHBondContact O-N 3.2Å; M62-K66 VanDerWaalsContact O-CB 3.25Å; M62-K66 WeakPolarHBondContact O-CB 3.34Å; M62-K66 PolarHBondContact O-N 2.84Å
63G93.6Very high92.6Very high42 Ų4288.9 Ų88.943%0.43342%0.423SS..Hα-helixtrans-61.9-44.5172.100000113.1E59 E60 Q61 K66 K67E59-G63 PolarHBondContact O-N 2.95Å; E60-G63 WeakPolarHBondContact O-CA 3.31Å; E60-G63 PolarHBondContact O-N 3.35Å; E60-G63 VanDerWaalsContact O-N 3.08Å; Q61-G63 VanDerWaalsContact C-N 3.3Å; Q61-G63 PolarHBondContact O-N 3.02Å; G63-K66 PolarHBondContact O-N 3.13Å; G63-K67 WeakPolarHBondContact O-CB 3.48Å; G63-K67 PolarHBondContact O-N 3.21Å
64V94.6Very high93.1Very high54 Ų5491.7 Ų91.733%0.32743%0.434SS..Hα-helixtrans-63.4-52.2175.8174.20000111.1E60 Q61 K66 K67 D68E60-V64 PolarHBondContact O-N 3.2Å; Q61-V64 PolarHBondContact O-N 3.14Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 3.27Å; V64-K67 WeakPolarHBondContact O-CB 3.36Å; V64-K67 PolarHBondContact O-N 3.43Å; V64-K67 VanDerWaalsContact O-N 3.1Å; V64-D68 VanDerWaalsContact CG1-OD2 3.32Å; V64-D68 WeakPolarHBondContact CG1-OD2 3.31Å; V64-D68 VanDerWaalsContact O-CG 3.3Å; V64-D68 PolarHBondContact O-N 2.82Å; V64-D68 VanDerWaalsContact O-OD2 3.14Å
65I95.6Very high93.4Very high18 Ų1884.9 Ų84.99%0.09241%0.405CS..Hα-helixtrans-54.4-44.6176.5-72.6166.3000111L39 R42 V43 F46 Q61 D68 Y69L39-I65 HydrophobicContact CD1-CG2 3.98Å; L39-I65 WeakPolarHBondContact CD1-O 3.06Å; R42-I65 HydrophobicContact CB-CG1 4.24Å; V43-I65 HydrophobicContact CG2-CD1 4.21Å; V43-I65 HydrophobicContact CG2-CG1 4.42Å; V43-I65 HydrophobicContact CG2-CG2 3.72Å; F46-I65 HydrophobicContact CB-CD1 3.68Å; F46-I65 HydrophobicContact CD1-CD1 4.49Å; F46-I65 HydrophobicContact CD2-CD1 4.13Å; F46-I65 HydrophobicContact CG-CD1 3.87Å; Q61-I65 WeakPolarHBondContact O-CB 3.27Å; Q61-I65 VanDerWaalsContact O-CG1 3.3Å; Q61-I65 WeakPolarHBondContact O-CG1 3.42Å; Q61-I65 PolarHBondContact O-N 3.45Å; I65-D68 PolarHBondContact O-N 3.41Å; I65-Y69 WeakPolarHBondContact O-CB 3.44Å; I65-Y69 PolarHBondContact O-N 2.76Å
66K95.6Very high93.9Very high119 Ų11982.1 Ų82.152%0.51739%0.389SS..Hα-helixtrans-65.8-40.3178.4-167-176.1-173.9-165.30112.6M62 G63 V64 Y70M62-K66 VanDerWaalsContact O-CB 3.25Å; M62-K66 WeakPolarHBondContact O-CB 3.34Å; M62-K66 PolarHBondContact O-N 2.84Å; G63-K66 PolarHBondContact O-N 3.13Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 3.27Å; K66-Y70 HydrophobicContact CD-CE2 4.15Å; K66-Y70 VanDerWaalsContact CE-OH 3.23Å; K66-Y70 WeakPolarHBondContact CE-OH 3.38Å; K66-Y70 HydrophobicContact CG-CD2 4.31Å; K66-Y70 HydrophobicContact CG-CE2 3.77Å; K66-Y70 WeakPolarHBondContact O-CD2 3.39Å; K66-Y70 PolarHBondContact O-N 3.19Å
67K95.9Very high94.3Very high149 Ų14979.5 Ų79.565%0.64838%0.38SS*.Hα-helixtrans-61.1-48.7175.8-176.1-164.3173.2-163.40110.9G63 V64 Y69 Y70 K71G63-K67 WeakPolarHBondContact O-CB 3.48Å; G63-K67 PolarHBondContact O-N 3.21Å; V64-K67 WeakPolarHBondContact O-CB 3.36Å; V64-K67 PolarHBondContact O-N 3.43Å; V64-K67 VanDerWaalsContact O-N 3.1Å; K67-Y69 VanDerWaalsContact C-N 3.32Å; K67-Y69 PolarHBondContact O-N 3.41Å; K67-Y70 PolarHBondContact O-N 3.43Å; K67-Y70 VanDerWaalsContact O-N 3.17Å; K67-K71 PolarHBondContact O-N 3.1Å
68D94.8Very high94.6Very high38 Ų3881.1 Ų81.120%0.20339%0.39CS..Hα-helixtrans-75.7-24-174.3-54.1-34.8000112.2L39 R42 V64 I65 K71 A72L39-D68 HydrophobicContact CD1-CB 4.4Å; R42-D68 IonicContact CZ-OD2 3.11Å; R42-D68 IonicContact NE-OD2 2.75Å; R42-D68 IonicContact NH1-OD2 2.76Å; R42-D68 PolarHBondContact NH1-OD2 2.89Å; R42-D68 VanDerWaalsContact NH2-CB 3.34Å; R42-D68 IonicContact NH2-OD2 3.19Å; R42-D68 PolarHBondContact NH2-OD2 3.41Å; V64-D68 VanDerWaalsContact CG1-OD2 3.32Å; V64-D68 WeakPolarHBondContact CG1-OD2 3.31Å; V64-D68 VanDerWaalsContact O-CG 3.3Å; V64-D68 PolarHBondContact O-N 2.82Å; V64-D68 VanDerWaalsContact O-OD2 3.14Å; I65-D68 PolarHBondContact O-N 3.41Å; D68-K71 PolarHBondContact O-N 3.3Å; D68-A72 WeakPolarHBondContact O-CB 3.18Å; D68-A72 PolarHBondContact O-N 3.19Å
69Y96.5Very high94.9Very high128 Ų12879.9 Ų79.950%0.50239%0.387SS..Hα-helixtrans-62.3-44.4165.4174.6-94.6000112L39 I65 K67 A72 L73L39-Y69 HydrophobicContact CD2-CD2 3.82Å; L39-Y69 HydrophobicContact CD2-CG 4.39Å; I65-Y69 WeakPolarHBondContact O-CB 3.44Å; I65-Y69 PolarHBondContact O-N 2.76Å; K67-Y69 VanDerWaalsContact C-N 3.32Å; K67-Y69 PolarHBondContact O-N 3.41Å; Y69-A72 PolarHBondContact O-N 2.78Å; Y69-L73 PolarHBondContact O-N 2.94Å
70Y96.4Very high95.3Very high112 Ų11276.3 Ų76.344%0.43938%0.376SS..Hα-helixtrans-64.9-39.3174.3-69.2-55.4000111.9K66 K67 A72 L73 E74K66-Y70 HydrophobicContact CD-CE2 4.15Å; K66-Y70 VanDerWaalsContact CE-OH 3.23Å; K66-Y70 WeakPolarHBondContact CE-OH 3.38Å; K66-Y70 HydrophobicContact CG-CD2 4.31Å; K66-Y70 HydrophobicContact CG-CE2 3.77Å; K66-Y70 WeakPolarHBondContact O-CD2 3.39Å; K66-Y70 PolarHBondContact O-N 3.19Å; K67-Y70 PolarHBondContact O-N 3.43Å; K67-Y70 VanDerWaalsContact O-N 3.17Å; Y70-A72 PolarHBondContact O-N 2.95Å; Y70-L73 VanDerWaalsContact O-CB 3.3Å; Y70-L73 WeakPolarHBondContact O-CB 3.49Å; Y70-L73 PolarHBondContact O-N 3.25Å; Y70-L73 VanDerWaalsContact O-N 3.12Å; Y70-E74 WeakPolarHBondContact O-CG 3.49Å; Y70-E74 PolarHBondContact O-N 3.03Å
71K95.4Very high95.6Very high92 Ų9275.8 Ų75.840%0.437%0.374SS..Hα-helixtrans-61-43.5174.4-163.9-148.5172.8-65.80111.9K67 D68 L73 E74 D75K67-K71 PolarHBondContact O-N 3.1Å; D68-K71 PolarHBondContact O-N 3.3Å; K71-L73 PolarHBondContact O-N 2.89Å; K71-E74 WeakPolarHBondContact O-CB 3.5Å; K71-E74 PolarHBondContact O-N 3.34Å; K71-D75 IonicContact NZ-OD1 3.78Å; K71-D75 PolarHBondContact NZ-OD1 2.86Å; K71-D75 IonicContact NZ-OD2 3.12Å; K71-D75 PolarHBondContact NZ-OD2 3Å; K71-D75 PolarHBondContact O-N 3.08Å; K71-D75 VanDerWaalsContact O-OD2 3.11Å
72A96.1Very high95.8Very high9 Ų974 Ų747%0.07437%0.365CS..Hα-helixtrans-66-25.3176.500000113.1A35 D68 Y69 Y70 A76A35-A72 HydrophobicContact CB-CB 3.96Å; D68-A72 WeakPolarHBondContact O-CB 3.18Å; D68-A72 PolarHBondContact O-N 3.19Å; Y69-A72 PolarHBondContact O-N 2.78Å; Y70-A72 PolarHBondContact O-N 2.95Å; A72-A76 WeakPolarHBondContact O-CB 3.48Å; A72-A76 PolarHBondContact O-N 2.92Å
73L96.9Very high96Very high80 Ų8070.7 Ų70.742%0.41935%0.353SS..Hα-helixtrans-72-46.8170-164.488.5000111Y69 Y70 K71 D75 A76 D77Y69-L73 PolarHBondContact O-N 2.94Å; Y70-L73 VanDerWaalsContact O-CB 3.3Å; Y70-L73 WeakPolarHBondContact O-CB 3.49Å; Y70-L73 PolarHBondContact O-N 3.25Å; Y70-L73 VanDerWaalsContact O-N 3.12Å; K71-L73 PolarHBondContact O-N 2.89Å; L73-D75 PolarHBondContact O-N 3.29Å; L73-A76 WeakPolarHBondContact O-CB 3.23Å; L73-A76 PolarHBondContact O-N 3.2Å; L73-A76 VanDerWaalsContact O-N 3.08Å; L73-D77 PolarHBondContact O-N 3.46Å
74E96.3Very high96.2Very high118 Ų11872.9 Ų72.955%0.55136%0.355SS*.Hα-helixtrans-58.3-47.1175.6-68.9164.5173.400111Y70 K71 A76 D77 E78Y70-E74 WeakPolarHBondContact O-CG 3.49Å; Y70-E74 PolarHBondContact O-N 3.03Å; K71-E74 WeakPolarHBondContact O-CB 3.5Å; K71-E74 PolarHBondContact O-N 3.34Å; E74-A76 PolarHBondContact O-N 3.12Å; E74-D77 PolarHBondContact O-N 2.96Å; E74-E78 WeakPolarHBondContact O-CG 3.35Å; E74-E78 PolarHBondContact O-N 3.25Å
75D95.3Very high96.2Very high5 Ų574.7 Ų74.73%0.02736%0.36CS..Hα-helixtrans-56.3-36.1174-67.3-41.9000112.2M28 Q31 V32 K71 L73 K79M28-D75 WeakPolarHBondContact CE-O 3.45Å; Q31-D75 PolarHBondContact NE2-OD1 3.49Å; V32-D75 VanDerWaalsContact CG2-C 3.48Å; V32-D75 HydrophobicContact CG2-CB 3.75Å; V32-D75 WeakPolarHBondContact CG2-O 3.42Å; K71-D75 IonicContact NZ-OD1 3.78Å; K71-D75 PolarHBondContact NZ-OD1 2.86Å; K71-D75 IonicContact NZ-OD2 3.12Å; K71-D75 PolarHBondContact NZ-OD2 3Å; K71-D75 PolarHBondContact O-N 3.08Å; K71-D75 VanDerWaalsContact O-OD2 3.11Å; L73-D75 PolarHBondContact O-N 3.29Å; D75-K79 PolarHBondContact O-N 3.05Å
76A96.6Very high96.2Very high31 Ų3174.4 Ų74.426%0.25636%0.358SS..Hα-helixtrans-79.3-36-179.700000113V32 A72 L73 E74 E78 K79 V80V32-A76 HydrophobicContact CG1-CB 4.32Å; V32-A76 HydrophobicContact CG2-CB 4.26Å; A72-A76 WeakPolarHBondContact O-CB 3.48Å; A72-A76 PolarHBondContact O-N 2.92Å; L73-A76 WeakPolarHBondContact O-CB 3.23Å; L73-A76 PolarHBondContact O-N 3.2Å; L73-A76 VanDerWaalsContact O-N 3.08Å; E74-A76 PolarHBondContact O-N 3.12Å; A76-E78 VanDerWaalsContact C-N 3.35Å; A76-K79 WeakPolarHBondContact O-CB 3.36Å; A76-K79 PolarHBondContact O-N 3.34Å; A76-V80 WeakPolarHBondContact O-CG2 3.41Å; A76-V80 PolarHBondContact O-N 2.69Å
77D97.2Very high96.2Very high89 Ų8977 Ų7748%0.47637%0.366SS..Hα-helixtrans-68.3-34173.8-77.5-24.6000111.5L73 E74 V80 Q81L73-D77 PolarHBondContact O-N 3.46Å; E74-D77 PolarHBondContact O-N 2.96Å; D77-V80 PolarHBondContact O-N 2.79Å; D77-Q81 WeakPolarHBondContact O-CG 3.3Å; D77-Q81 PolarHBondContact O-N 2.91Å; D77-Q81 PolarHBondContact O-NE2 2.93Å
78E96.2Very high96.2Very high103 Ų10374.2 Ų74.248%0.48136%0.358SS..Hα-helixtrans-64.1-43.7170.5-74.2-177.1174.900111.8M28 E74 A76 V80 Q81 L82M28-E78 HydrophobicContact CE-CB 3.62Å; E74-E78 WeakPolarHBondContact O-CG 3.35Å; E74-E78 PolarHBondContact O-N 3.25Å; A76-E78 VanDerWaalsContact C-N 3.35Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.47Å; E78-Q81 WeakPolarHBondContact O-CB 3.28Å; E78-Q81 PolarHBondContact O-N 2.62Å; E78-L82 PolarHBondContact O-N 2.71Å
79K96.1Very high96.1Very high73 Ų7373.2 Ų73.232%0.31735%0.353SS..Hα-helixtrans-56.8-42.5171.6165.1179.7165.7170.20112.4M28 D29 D75 A76 L82 A83M28-K79 HydrophobicContact CB-CB 4.23Å; D29-K79 WeakPolarHBondContact OD1-CD 3.44Å; D29-K79 WeakPolarHBondContact OD1-CE 3.13Å; D29-K79 IonicContact OD1-NZ 2.69Å; D29-K79 PolarHBondContact OD1-NZ 3.22Å; D75-K79 PolarHBondContact O-N 3.05Å; A76-K79 WeakPolarHBondContact O-CB 3.36Å; A76-K79 PolarHBondContact O-N 3.34Å; K79-L82 PolarHBondContact O-N 2.83Å; K79-A83 PolarHBondContact O-N 3.06Å
80V97.6Very high95.9Very high80 Ų8070.2 Ų70.249%0.48535%0.348SS..Hα-helixtrans-66.2-40.4177.8170.60000111.3A76 D77 E78 L82 A83 N84A76-V80 WeakPolarHBondContact O-CG2 3.41Å; A76-V80 PolarHBondContact O-N 2.69Å; D77-V80 PolarHBondContact O-N 2.79Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.47Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-L82 PolarHBondContact O-N 3.08Å; V80-A83 WeakPolarHBondContact O-CB 3.36Å; V80-A83 PolarHBondContact O-N 3.05Å; V80-N84 PolarHBondContact O-N 3.25Å; V80-N84 VanDerWaalsContact O-N 3.1Å; V80-N84 PolarHBondContact O-ND2 3.42Å
81Q96.8Very high95.8Very high111 Ų11167.6 Ų67.652%0.51934%0.342SS..Hα-helixtrans-60.7-42.6174-72.7166.87700112D77 E78 N84 Q85D77-Q81 WeakPolarHBondContact O-CG 3.3Å; D77-Q81 PolarHBondContact O-N 2.91Å; D77-Q81 PolarHBondContact O-NE2 2.93Å; E78-Q81 WeakPolarHBondContact O-CB 3.28Å; E78-Q81 PolarHBondContact O-N 2.62Å; Q81-N84 PolarHBondContact O-N 2.9Å; Q81-Q85 WeakPolarHBondContact O-CG 3.05Å; Q81-Q85 PolarHBondContact O-N 2.96Å
82L96.6Very high95.6Very high9 Ų969.7 Ų69.75%0.04735%0.347CS..Hα-helixtrans-65.4-37.1176.5-178.758.9000112.6E24 M25 M28 E78 K79 V80 N84 Q85 I86E24-L82 HydrophobicContact CB-CD2 3.93Å; E24-L82 HydrophobicContact CG-CD1 4.35Å; E24-L82 HydrophobicContact CG-CD2 3.66Å; M25-L82 HydrophobicContact CB-CD2 4.05Å; M28-L82 HydrophobicContact CG-CD2 4.25Å; E78-L82 PolarHBondContact O-N 2.71Å; K79-L82 PolarHBondContact O-N 2.83Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-L82 PolarHBondContact O-N 3.08Å; L82-N84 PolarHBondContact O-N 2.94Å; L82-Q85 WeakPolarHBondContact O-CB 3.34Å; L82-Q85 PolarHBondContact O-N 3.5Å; L82-I86 PolarHBondContact O-N 2.77Å; L82-I86 VanDerWaalsContact O-N 3.13Å
83A96.6Very high95.3Very high25 Ų2570.1 Ų70.121%0.20735%0.347CS..Hα-helixtrans-59.8-45.2172.300000111.9M25 K79 V80 Q85 I86 Y87M25-A83 VanDerWaalsContact CE-CA 3.47Å; M25-A83 HydrophobicContact CE-CB 3.6Å; K79-A83 PolarHBondContact O-N 3.06Å; V80-A83 WeakPolarHBondContact O-CB 3.36Å; V80-A83 PolarHBondContact O-N 3.05Å; A83-Q85 VanDerWaalsContact C-N 3.33Å; A83-Q85 PolarHBondContact O-N 2.94Å; A83-I86 PolarHBondContact O-N 3.41Å; A83-I86 VanDerWaalsContact O-N 3.16Å; A83-Y87 WeakPolarHBondContact O-CD2 3.33Å; A83-Y87 PolarHBondContact O-N 3.49Å; A83-Y87 VanDerWaalsContact O-N 3.11Å
84N96.6Very high95Very high87 Ų8770.9 Ų70.947%0.46535%0.351SS..Hα-helixtrans-61.7-39.8175.8-65.1-34000111.9V80 Q81 L82 I86 Y87 D88V80-N84 PolarHBondContact O-N 3.25Å; V80-N84 VanDerWaalsContact O-N 3.1Å; V80-N84 PolarHBondContact O-ND2 3.42Å; Q81-N84 PolarHBondContact O-N 2.9Å; L82-N84 PolarHBondContact O-N 2.94Å; N84-I86 VanDerWaalsContact C-N 3.28Å; N84-I86 PolarHBondContact O-N 3.25Å; N84-Y87 PolarHBondContact O-N 3.27Å; N84-D88 WeakPolarHBondContact O-CB 3.33Å; N84-D88 PolarHBondContact O-N 3.47Å
85Q95.8Very high94.8Very high92 Ų9272.1 Ų72.143%0.4335%0.351SS..Hα-helixtrans-60.7-34.5174.7-68.8172.429.800113.1Q81 L82 A83 L89Q81-Q85 WeakPolarHBondContact O-CG 3.05Å; Q81-Q85 PolarHBondContact O-N 2.96Å; L82-Q85 WeakPolarHBondContact O-CB 3.34Å; L82-Q85 PolarHBondContact O-N 3.5Å; A83-Q85 VanDerWaalsContact C-N 3.33Å; A83-Q85 PolarHBondContact O-N 2.94Å; Q85-L89 WeakPolarHBondContact O-CB 3.3Å; Q85-L89 PolarHBondContact O-N 3.36Å
86I94.8Very high94.4Very high12 Ų1276.1 Ų76.16%0.06237%0.368CS..Hα-helixtrans-69.4-44.4174.7-65.8177.2000110.7L18 R21 F22 M25 L82 A83 N84 L89 V90L18-I86 HydrophobicContact CD2-CG2 4Å; R21-I86 HydrophobicContact CB-CD1 3.78Å; R21-I86 HydrophobicContact CB-CG1 3.62Å; R21-I86 HydrophobicContact CG-CG1 4.38Å; F22-I86 HydrophobicContact CD1-CD1 3.88Å; F22-I86 HydrophobicContact CE1-CD1 3.95Å; F22-I86 HydrophobicContact CE1-CG2 4.19Å; F22-I86 HydrophobicContact CG-CD1 4.49Å; F22-I86 HydrophobicContact CZ-CG2 4.02Å; M25-I86 HydrophobicContact CE-CD1 3.73Å; M25-I86 HydrophobicContact SD-CD1 4.32Å; L82-I86 PolarHBondContact O-N 2.77Å; L82-I86 VanDerWaalsContact O-N 3.13Å; A83-I86 PolarHBondContact O-N 3.41Å; A83-I86 VanDerWaalsContact O-N 3.16Å; N84-I86 VanDerWaalsContact C-N 3.28Å; N84-I86 PolarHBondContact O-N 3.25Å; I86-L89 WeakPolarHBondContact O-CB 3.49Å; I86-L89 PolarHBondContact O-N 3.1Å; I86-V90 WeakPolarHBondContact O-CG2 3.49Å; I86-V90 PolarHBondContact O-N 3.37Å
87Y95.3Very high94Very high173 Ų17376.2 Ų76.268%0.67836%0.364SS*.Hα-helixtrans-61.1-46.7175-75.9-68.9000112A83 N84 L89 V90 D91A83-Y87 WeakPolarHBondContact O-CD2 3.33Å; A83-Y87 PolarHBondContact O-N 3.49Å; A83-Y87 VanDerWaalsContact O-N 3.11Å; N84-Y87 PolarHBondContact O-N 3.27Å; Y87-L89 VanDerWaalsContact C-N 3.26Å; Y87-L89 PolarHBondContact O-N 3.22Å; Y87-V90 PolarHBondContact O-N 3.01Å; Y87-D91 WeakPolarHBondContact O-CB 3.43Å; Y87-D91 PolarHBondContact O-N 3.28Å
88D95.6Very high93.6Very high91 Ų9175.9 Ų75.949%0.48736%0.362SS..Hα-helixtrans-62.8-29.6177-76-16.9000113.1N84 R92N84-D88 WeakPolarHBondContact O-CB 3.33Å; N84-D88 PolarHBondContact O-N 3.47Å; D88-R92 WeakPolarHBondContact O-CB 3.34Å; D88-R92 PolarHBondContact O-N 3.25Å; D88-R92 PolarHBondContact O-NH2 3.39Å
89L93.1Very high93.2Very high18 Ų1877 Ų779%0.09437%0.368CS..Hα-helixtrans-70.4-50.3173.3178.466.3000110.7L14 D17 L18 Q85 I86 Y87 R92 H93L14-L89 HydrophobicContact CD1-CD2 4.23Å; L14-L89 HydrophobicContact CD1-CG 4.04Å; D17-L89 HydrophobicContact CB-CD2 3.79Å; L18-L89 HydrophobicContact CD2-CD2 4.1Å; L18-L89 HydrophobicContact CG-CD2 4.4Å; Q85-L89 WeakPolarHBondContact O-CB 3.3Å; Q85-L89 PolarHBondContact O-N 3.36Å; I86-L89 WeakPolarHBondContact O-CB 3.49Å; I86-L89 PolarHBondContact O-N 3.1Å; Y87-L89 VanDerWaalsContact C-N 3.26Å; Y87-L89 PolarHBondContact O-N 3.22Å; L89-R92 PolarHBondContact O-N 2.98Å; L89-H93 PolarHBondContact O-CD2 3.02Å; L89-H93 PolarHBondContact O-N 2.83Å; L89-H93 VanDerWaalsContact O-N 3.1Å
90V93.1Very high92.7Very high65 Ų6576.7 Ų76.739%0.39437%0.367SS..Hα-helixtrans-63.7-47.5-179.4174.90000111.1L18 I86 Y87 R92 H93 L94L18-V90 HydrophobicContact CD2-CG2 3.84Å; I86-V90 WeakPolarHBondContact O-CG2 3.49Å; I86-V90 PolarHBondContact O-N 3.37Å; Y87-V90 PolarHBondContact O-N 3.01Å; V90-R92 VanDerWaalsContact C-N 3.31Å; V90-R92 PolarHBondContact O-N 3.26Å; V90-H93 PolarHBondContact O-N 2.98Å; V90-H93 VanDerWaalsContact O-N 3.11Å; V90-L94 WeakPolarHBondContact O-CB 3.46Å; V90-L94 PolarHBondContact O-N 3.11Å
91D94.3Very high92.1Very high57 Ų5778.2 Ų78.231%0.30537%0.372SS..Hα-helixtrans-59.2-40.3177.1175.764.8000112Y87 H93 L94 R95Y87-D91 WeakPolarHBondContact O-CB 3.43Å; Y87-D91 PolarHBondContact O-N 3.28Å; D91-H93 VanDerWaalsContact C-N 3.34Å; D91-H93 PolarHBondContact O-N 3.04Å; D91-L94 PolarHBondContact O-N 2.88Å; D91-R95 VanDerWaalsContact CG-NE 3.27Å; D91-R95 WeakPolarHBondContact O-CG 3.16Å; D91-R95 PolarHBondContact O-N 3.32Å; D91-R95 IonicContact OD1-CZ 3.16Å; D91-R95 IonicContact OD1-NE 2.7Å; D91-R95 PolarHBondContact OD1-NE 2.63Å; D91-R95 VanDerWaalsContact OD1-NE 3.11Å; D91-R95 IonicContact OD1-NH2 3.17Å; D91-R95 PolarHBondContact OD1-NH2 2.77Å; D91-R95 IonicContact OD2-CZ 2.96Å; D91-R95 IonicContact OD2-NE 3.19Å; D91-R95 PolarHBondContact OD2-NE 3.11Å; D91-R95 IonicContact OD2-NH2 2.93Å; D91-R95 PolarHBondContact OD2-NH2 3.19Å
92R91.5Very high91.6Very high135 Ų13575.9 Ų75.951%0.50937%0.371SS..Hα-helixtrans-65.7-34.1175.7-170.9-174.3-51.2131.814.3113D88 L89 V90 K96D88-R92 WeakPolarHBondContact O-CB 3.34Å; D88-R92 PolarHBondContact O-N 3.25Å; D88-R92 PolarHBondContact O-NH2 3.39Å; L89-R92 PolarHBondContact O-N 2.98Å; V90-R92 VanDerWaalsContact C-N 3.31Å; V90-R92 PolarHBondContact O-N 3.26Å; R92-K96 VanDerWaalsContact O-CG 3.31Å; R92-K96 WeakPolarHBondContact O-CG 3.44Å; R92-K96 PolarHBondContact O-N 3.16Å
93H89.1Confident91Very high19 Ų1979.8 Ų79.89%0.08839%0.388CS..Hα-helixtrans-76-40173.5-83.4-101.9000111.8M10 L14 L89 V90 D91 K96 L97M10-H93 PolarHBondContact O-ND1 3.2Å; L14-H93 HydrophobicContact CD1-CB 4.35Å; L14-H93 HydrophobicContact CD2-CB 3.86Å; L89-H93 PolarHBondContact O-CD2 3.02Å; L89-H93 PolarHBondContact O-N 2.83Å; L89-H93 VanDerWaalsContact O-N 3.1Å; V90-H93 PolarHBondContact O-N 2.98Å; V90-H93 VanDerWaalsContact O-N 3.11Å; D91-H93 VanDerWaalsContact C-N 3.34Å; D91-H93 PolarHBondContact O-N 3.04Å; H93-K96 WeakPolarHBondContact O-CB 3.36Å; H93-K96 PolarHBondContact O-N 3.02Å; H93-L97 VanDerWaalsContact O-CG 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.36Å; H93-L97 PolarHBondContact O-N 3.23Å
94L91.1Very high90.3Very high95 Ų9582.4 Ų82.450%0.49740%0.395SS..Hα-helixtrans-55.2-56.3174.3-171.473.8000110.9V90 D91 K96 L97 D98V90-L94 WeakPolarHBondContact O-CB 3.46Å; V90-L94 PolarHBondContact O-N 3.11Å; D91-L94 PolarHBondContact O-N 2.88Å; L94-K96 PolarHBondContact O-N 3.22Å; L94-K96 VanDerWaalsContact O-N 3.12Å; L94-L97 WeakPolarHBondContact O-CA 3.37Å; L94-L97 WeakPolarHBondContact O-CB 3.46Å; L94-L97 PolarHBondContact O-N 3.2Å; L94-D98 VanDerWaalsContact O-CG 3.29Å; L94-D98 PolarHBondContact O-N 2.85Å
95R91.6Very high89.6Confident145 Ų14582.2 Ų82.255%0.54739%0.39SS..Hα-helixtrans-57.6-31.4178.8-67.7178-158.6-114.43.4113.7D91 Q99D91-R95 VanDerWaalsContact CG-NE 3.27Å; D91-R95 WeakPolarHBondContact O-CG 3.16Å; D91-R95 PolarHBondContact O-N 3.32Å; D91-R95 IonicContact OD1-CZ 3.16Å; D91-R95 IonicContact OD1-NE 2.7Å; D91-R95 PolarHBondContact OD1-NE 2.63Å; D91-R95 VanDerWaalsContact OD1-NE 3.11Å; D91-R95 IonicContact OD1-NH2 3.17Å; D91-R95 PolarHBondContact OD1-NH2 2.77Å; D91-R95 IonicContact OD2-CZ 2.96Å; D91-R95 IonicContact OD2-NE 3.19Å; D91-R95 PolarHBondContact OD2-NE 3.11Å; D91-R95 IonicContact OD2-NH2 2.93Å; D91-R95 PolarHBondContact OD2-NH2 3.19Å; R95-Q99 WeakPolarHBondContact O-CG 3.33Å; R95-Q99 PolarHBondContact O-N 3.22Å; R95-Q99 VanDerWaalsContact O-N 3.16Å; R95-Q99 PolarHBondContact O-NE2 3.13Å
96K87.3Confident89.1Confident88 Ų8884.3 Ų84.338%0.38340%0.401SS..Hα-helixtrans-70.9-44.3175.3-82.5177.2172.4-171.90111.3M10 R92 H93 L94 D98 Q99 E100M10-K96 HydrophobicContact CE-CB 4.07Å; M10-K96 HydrophobicContact CG-CD 4.41Å; M10-K96 HydrophobicContact SD-CB 3.73Å; M10-K96 HydrophobicContact SD-CD 4.03Å; M10-K96 HydrophobicContact SD-CG 4.31Å; R92-K96 VanDerWaalsContact O-CG 3.31Å; R92-K96 WeakPolarHBondContact O-CG 3.44Å; R92-K96 PolarHBondContact O-N 3.16Å; H93-K96 WeakPolarHBondContact O-CB 3.36Å; H93-K96 PolarHBondContact O-N 3.02Å; L94-K96 PolarHBondContact O-N 3.22Å; L94-K96 VanDerWaalsContact O-N 3.12Å; K96-D98 VanDerWaalsContact C-N 3.33Å; K96-Q99 PolarHBondContact O-N 2.98Å; K96-E100 PolarHBondContact O-N 3.44Å
97L87.1Confident88.6Confident33 Ų3387.1 Ų87.117%0.17341%0.414CS..Hα-helixtrans-62-42.2176.3-65.8163.4000110.6Y7 M10 I11 H93 L94 Q99 E100 L101Y7-L97 HydrophobicContact CD2-CD2 3.9Å; Y7-L97 HydrophobicContact CE2-CD2 3.4Å; M10-L97 HydrophobicContact CE-CD2 3.76Å; M10-L97 HydrophobicContact CE-CG 4.23Å; I11-L97 HydrophobicContact CD1-CD1 4.43Å; I11-L97 HydrophobicContact CD1-CD2 3.75Å; I11-L97 HydrophobicContact CG1-CD1 4.5Å; I11-L97 HydrophobicContact CG1-CD2 3.81Å; H93-L97 VanDerWaalsContact O-CG 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.36Å; H93-L97 PolarHBondContact O-N 3.23Å; L94-L97 WeakPolarHBondContact O-CA 3.37Å; L94-L97 WeakPolarHBondContact O-CB 3.46Å; L94-L97 PolarHBondContact O-N 3.2Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-Q99 PolarHBondContact O-N 2.81Å; L97-E100 PolarHBondContact O-N 3.37Å; L97-L101 VanDerWaalsContact O-CB 3.23Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 PolarHBondContact O-N 2.94Å
98D89.2Confident87.9Confident82 Ų8280.9 Ų80.944%0.43939%0.392SS..Hα-helixtrans-61.3-39.9174.5-61-35.2000112.6L94 K96 A102L94-D98 VanDerWaalsContact O-CG 3.29Å; L94-D98 PolarHBondContact O-N 2.85Å; K96-D98 VanDerWaalsContact C-N 3.33Å; D98-A102 VanDerWaalsContact O-CB 3.29Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 2.86Å
99Q88.6Confident87.2Confident127 Ų12780.3 Ų80.359%0.59339%0.387SS*.Hα-helixtrans-67-44.7177.6-82.3166.888.500112.2R95 K96 L97 A102 K103R95-Q99 WeakPolarHBondContact O-CG 3.33Å; R95-Q99 PolarHBondContact O-N 3.22Å; R95-Q99 VanDerWaalsContact O-N 3.16Å; R95-Q99 PolarHBondContact O-NE2 3.13Å; K96-Q99 PolarHBondContact O-N 2.98Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-Q99 PolarHBondContact O-N 2.81Å; Q99-A102 PolarHBondContact O-N 3.33Å; Q99-K103 VanDerWaalsContact O-CB 3.29Å; Q99-K103 WeakPolarHBondContact O-CB 3.22Å; Q99-K103 PolarHBondContact O-N 3.43Å
100E84.4Confident86.7Confident67 Ų6783.4 Ų83.431%0.31342%0.415SS..Hα-helixtrans-70.2-35.2176.8-73.3-62.1144.400112M10 K96 L97 K103 F104M10-E100 HydrophobicContact CE-CB 4.07Å; M10-E100 HydrophobicContact CE-CG 3.75Å; M10-E100 HydrophobicContact SD-CG 4.34Å; K96-E100 PolarHBondContact O-N 3.44Å; L97-E100 PolarHBondContact O-N 3.37Å; E100-K103 PolarHBondContact O-N 3.11Å; E100-K103 IonicContact OE1-NZ 2.95Å; E100-K103 PolarHBondContact OE1-NZ 2.76Å; E100-K103 WeakPolarHBondContact OE2-CD 3.49Å; E100-K103 WeakPolarHBondContact OE2-CE 3.42Å; E100-K103 IonicContact OE2-NZ 3.42Å; E100-K103 PolarHBondContact OE2-NZ 2.75Å; E100-F104 VanDerWaalsContact O-CB 3.25Å; E100-F104 WeakPolarHBondContact O-CB 3.42Å; E100-F104 PolarHBondContact O-N 3.26Å
101L85.4Confident86Confident112 Ų11286.2 Ų86.259%0.58643%0.428SS*.Hα-helixtrans-60.9-45.9170.4-172.982.6000111.7L97 F104 K105L97-L101 VanDerWaalsContact O-CB 3.23Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 PolarHBondContact O-N 2.94Å; L101-F104 PolarHBondContact O-N 3.03Å; L101-K105 WeakPolarHBondContact O-CB 3.29Å; L101-K105 PolarHBondContact O-N 2.88Å
102A86.6Confident85.2Confident61 Ų6187.9 Ų87.950%0.50444%0.437SS..Hα-helixtrans-66.8-41.317900000112.3D98 Q99 K105 M106D98-A102 VanDerWaalsContact O-CB 3.29Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 2.86Å; Q99-A102 PolarHBondContact O-N 3.33Å; A102-K105 PolarHBondContact O-N 3.13Å; A102-M106 PolarHBondContact O-N 2.84Å
103K84.9Confident84.7Confident92 Ų9286 Ų8640%0.445%0.45SS..Hα-helixtrans-59.6-48.3172.7172.6179.9153.7-142.10111.2Q99 E100 K105 M106 E107Q99-K103 VanDerWaalsContact O-CB 3.29Å; Q99-K103 WeakPolarHBondContact O-CB 3.22Å; Q99-K103 PolarHBondContact O-N 3.43Å; E100-K103 PolarHBondContact O-N 3.11Å; E100-K103 IonicContact OE1-NZ 2.95Å; E100-K103 PolarHBondContact OE1-NZ 2.76Å; E100-K103 WeakPolarHBondContact OE2-CD 3.49Å; E100-K103 WeakPolarHBondContact OE2-CE 3.42Å; E100-K103 IonicContact OE2-NZ 3.42Å; E100-K103 PolarHBondContact OE2-NZ 2.75Å; K103-K105 PolarHBondContact O-N 2.95Å; K103-M106 PolarHBondContact O-N 3.11Å; K103-E107 WeakPolarHBondContact O-CB 3.35Å; K103-E107 PolarHBondContact O-N 2.88Å
104F80.5Confident84.1Confident80 Ų8086.7 Ų86.735%0.35146%0.462SS..Hα-helixtrans-62.5-40176178.5-111.8000112.8Y3 E100 L101 M106 E107 L108Y3-F104 HydrophobicContact CD1-CD2 4.35Å; Y3-F104 HydrophobicContact CD2-CE2 4.16Å; Y3-F104 HydrophobicContact CG-CD2 4.24Å; Y3-F104 HydrophobicContact CG-CE2 4.2Å; E100-F104 VanDerWaalsContact O-CB 3.25Å; E100-F104 WeakPolarHBondContact O-CB 3.42Å; E100-F104 PolarHBondContact O-N 3.26Å; L101-F104 PolarHBondContact O-N 3.03Å; F104-M106 PolarHBondContact O-N 3.38Å; F104-E107 PolarHBondContact O-N 3.44Å; F104-L108 HydrophobicContact CD1-CD1 4.09Å; F104-L108 HydrophobicContact CD2-CG 4.47Å; F104-L108 HydrophobicContact CE1-CD1 3.51Å; F104-L108 HydrophobicContact CE1-CG 4.24Å; F104-L108 HydrophobicContact CE2-CD1 4.22Å; F104-L108 HydrophobicContact CE2-CD2 4.3Å; F104-L108 HydrophobicContact CE2-CG 4.09Å; F104-L108 HydrophobicContact CZ-CD1 3.59Å; F104-L108 HydrophobicContact CZ-CD2 4.23Å; F104-L108 HydrophobicContact CZ-CG 3.97Å; F104-L108 WeakPolarHBondContact O-CG 3.49Å; F104-L108 PolarHBondContact O-N 2.98Å
105K83.4Confident83.7Confident83 Ų8384.9 Ų84.936%0.36145%0.453SS..Hα-helixtrans-60.9-44.3174.1-171.8166.8-179.61560111.2L101 A102 K103 E109 T116 E120L101-K105 WeakPolarHBondContact O-CB 3.29Å; L101-K105 PolarHBondContact O-N 2.88Å; A102-K105 PolarHBondContact O-N 3.13Å; K103-K105 PolarHBondContact O-N 2.95Å; K105-E109 WeakPolarHBondContact CE-OE1 3.05Å; K105-E109 WeakPolarHBondContact CG-OE1 3.5Å; K105-E109 WeakPolarHBondContact O-CB 3.43Å; K105-E109 PolarHBondContact O-N 3.35Å; K105-T116 HydrophobicContact CG-CG2 3.72Å; K105-T116 WeakPolarHBondContact O-CG2 3.32Å; K105-E120 IonicContact NZ-OE2 2.91Å; K105-E120 PolarHBondContact NZ-OE2 3.16Å
106M83.9Confident83Confident135 Ų13578.6 Ų78.667%0.66543%0.43SS*.Hα-helixtrans-66.1-37.6176.7-170.6-178.170.400112.9A102 K103 F104 E109 A110A102-M106 PolarHBondContact O-N 2.84Å; K103-M106 PolarHBondContact O-N 3.11Å; F104-M106 PolarHBondContact O-N 3.38Å; M106-E109 PolarHBondContact O-N 3.03Å; M106-A110 WeakPolarHBondContact O-CB 3.44Å; M106-A110 PolarHBondContact O-N 3.29Å
107E84.4Confident82.6Confident71 Ų7179.4 Ų79.433%0.33244%0.435SS..Hα-helixtrans-67.1-45.1177.5-167.6166.7-17500111.5Y3 K103 F104 E109 A110 D111Y3-E107 PolarHBondContact OH-OE1 2.88Å; K103-E107 WeakPolarHBondContact O-CB 3.35Å; K103-E107 PolarHBondContact O-N 2.88Å; F104-E107 PolarHBondContact O-N 3.44Å; E107-E109 PolarHBondContact O-N 2.91Å; E107-A110 PolarHBondContact O-N 3.12Å; E107-D111 PolarHBondContact O-N 2.98Å
108L80.4Confident82.2Confident42 Ų4282.7 Ų82.722%0.2245%0.452CS..Hα-helixtrans-61.1-39.3172-74.4-179.5000113.2F104 A110 N112 T116F104-L108 HydrophobicContact CD1-CD1 4.09Å; F104-L108 HydrophobicContact CD2-CG 4.47Å; F104-L108 HydrophobicContact CE1-CD1 3.51Å; F104-L108 HydrophobicContact CE1-CG 4.24Å; F104-L108 HydrophobicContact CE2-CD1 4.22Å; F104-L108 HydrophobicContact CE2-CD2 4.3Å; F104-L108 HydrophobicContact CE2-CG 4.09Å; F104-L108 HydrophobicContact CZ-CD1 3.59Å; F104-L108 HydrophobicContact CZ-CD2 4.23Å; F104-L108 HydrophobicContact CZ-CG 3.97Å; F104-L108 WeakPolarHBondContact O-CG 3.49Å; F104-L108 PolarHBondContact O-N 2.98Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-N112 CarbonylContact O-C 3.59Å; L108-N112 PolarHBondContact O-N 3.48Å; L108-T116 HydrophobicContact CB-CG2 3.64Å; L108-T116 HydrophobicContact CD1-CG2 4.08Å
109E82.3Confident81.7Confident79 Ų7983.4 Ų83.437%0.36946%0.455SS..Hα-helixtrans-70.5-27.6177.2-83.5165.1-149.300113.1K105 M106 E107 A113 T116K105-E109 WeakPolarHBondContact CE-OE1 3.05Å; K105-E109 WeakPolarHBondContact CG-OE1 3.5Å; K105-E109 WeakPolarHBondContact O-CB 3.43Å; K105-E109 PolarHBondContact O-N 3.35Å; M106-E109 PolarHBondContact O-N 3.03Å; E107-E109 PolarHBondContact O-N 2.91Å; E109-A113 VanDerWaalsContact O-CA 3.32Å; E109-A113 WeakPolarHBondContact O-CA 3.5Å; E109-A113 PolarHBondContact O-N 2.87Å; E109-T116 HydrophobicContact CG-CG2 3.72Å; E109-T116 VanDerWaalsContact CG-OG1 3.27Å; E109-T116 WeakPolarHBondContact CG-OG1 3.18Å; E109-T116 WeakPolarHBondContact OE1-CB 3.42Å; E109-T116 PolarHBondContact OE1-OG1 3.1Å
110A81.6Confident81.3Confident84 Ų8482 Ų8269%0.69445%0.449SS*.Hα-helixtrans-74.7-45.6174.700000112.3M106 E107 L108M106-A110 WeakPolarHBondContact O-CB 3.44Å; M106-A110 PolarHBondContact O-N 3.29Å; E107-A110 PolarHBondContact O-N 3.12Å; L108-A110 VanDerWaalsContact C-N 3.33Å
111D79.4Confident81.1Confident123 Ų12384.9 Ų84.966%0.65846%0.457SS*.Hα-helixtrans-70.3-40.8176.9-85.2-5.3000112E107E107-D111 PolarHBondContact O-N 2.98Å
112N77.2Confident80.8Confident93 Ų9387.6 Ų87.650%0.49746%0.459SS..SBendtrans-146.583.1-176.7-68126000112.5L108 G114 I115L108-N112 CarbonylContact O-C 3.59Å; L108-N112 PolarHBondContact O-N 3.48Å; N112-G114 PolarHBondContact O-N 3.48Å; N112-I115 HydrophobicContact CB-CB 4Å; N112-I115 HydrophobicContact CB-CD1 3.4Å; N112-I115 HydrophobicContact CB-CG1 3.65Å; N112-I115 WeakPolarHBondContact O-CB 3.42Å; N112-I115 PolarHBondContact O-N 3.44Å
113A80.9Confident80.4Confident95 Ų9587.1 Ų87.179%0.78545%0.453SS*.THydrogen-bonded Turntrans-44.8121.1176.300000113.2E109E109-A113 VanDerWaalsContact O-CA 3.32Å; E109-A113 WeakPolarHBondContact O-CA 3.5Å; E109-A113 PolarHBondContact O-N 2.87Å
114G76.8Confident80Confident33 Ų3388.4 Ų88.434%0.3446%0.463SS..THydrogen-bonded Turntrans89.4-6.1-179.900000116.2N112 T116 E117 I118N112-G114 PolarHBondContact O-N 3.48Å; G114-T116 VanDerWaalsContact C-N 3.26Å; G114-T116 PolarHBondContact O-N 3.01Å; G114-E117 PolarHBondContact O-N 3.36Å; G114-I118 WeakPolarHBondContact O-CG1 3.47Å; G114-I118 PolarHBondContact O-N 3.25Å
115I81.5Confident79.6Confident57 Ų5790.4 Ų90.429%0.29247%0.474SS..Hα-helixtrans-63.9-31.5176.5-85.2-165.1000112.5N112 I118 L119N112-I115 HydrophobicContact CB-CB 4Å; N112-I115 HydrophobicContact CB-CD1 3.4Å; N112-I115 HydrophobicContact CB-CG1 3.65Å; N112-I115 WeakPolarHBondContact O-CB 3.42Å; N112-I115 PolarHBondContact O-N 3.44Å; I115-I118 WeakPolarHBondContact O-CB 3.33Å; I115-I118 PolarHBondContact O-N 3.36Å; I115-L119 HydrophobicContact CG2-CD1 3.57Å; I115-L119 VanDerWaalsContact O-CD1 3.25Å; I115-L119 WeakPolarHBondContact O-CD1 3.21Å; I115-L119 PolarHBondContact O-N 3.04Å
116T77.9Confident78.6Confident13 Ų1393.3 Ų93.38%0.0849%0.49CS..Hα-helixtrans-62.4-47.7177.551.40000112.2K105 L108 E109 G114 I118 L119 E120K105-T116 HydrophobicContact CG-CG2 3.72Å; K105-T116 WeakPolarHBondContact O-CG2 3.32Å; L108-T116 HydrophobicContact CB-CG2 3.64Å; L108-T116 HydrophobicContact CD1-CG2 4.08Å; E109-T116 HydrophobicContact CG-CG2 3.72Å; E109-T116 VanDerWaalsContact CG-OG1 3.27Å; E109-T116 WeakPolarHBondContact CG-OG1 3.18Å; E109-T116 WeakPolarHBondContact OE1-CB 3.42Å; E109-T116 PolarHBondContact OE1-OG1 3.1Å; G114-T116 VanDerWaalsContact C-N 3.26Å; G114-T116 PolarHBondContact O-N 3.01Å; T116-I118 VanDerWaalsContact C-N 3.26Å; T116-I118 PolarHBondContact O-N 3.43Å; T116-L119 PolarHBondContact O-N 2.71Å; T116-E120 VanDerWaalsContact O-CB 3.24Å; T116-E120 WeakPolarHBondContact O-CB 3.48Å; T116-E120 PolarHBondContact O-N 3.14Å
117E78.4Confident78Confident105 Ų10593.2 Ų93.249%0.49149%0.492SS..Hα-helixtrans-61.7-33.6174.3-162.2-156.9124.400112G114 R121G114-E117 PolarHBondContact O-N 3.36Å; E117-R121 VanDerWaalsContact O-CB 3.22Å; E117-R121 WeakPolarHBondContact O-CB 3.45Å; E117-R121 PolarHBondContact O-N 2.95Å; E117-R121 IonicContact OE1-CZ 3.94Å; E117-R121 IonicContact OE1-NH1 2.63Å; E117-R121 PolarHBondContact OE1-NH1 2.8Å; E117-R121 IonicContact OE1-NH2 2.62Å; E117-R121 PolarHBondContact OE1-NH2 3.4Å
118I78.4Confident77.3Confident103 Ų10393.3 Ų93.353%0.52850%0.501SS..Hα-helixtrans-70.6-39.9176.4-65.8167.1000111.2G114 I115 T116 R122G114-I118 WeakPolarHBondContact O-CG1 3.47Å; G114-I118 PolarHBondContact O-N 3.25Å; I115-I118 WeakPolarHBondContact O-CB 3.33Å; I115-I118 PolarHBondContact O-N 3.36Å; T116-I118 VanDerWaalsContact C-N 3.26Å; T116-I118 PolarHBondContact O-N 3.43Å; I118-R122 VanDerWaalsContact O-CB 3.23Å; I118-R122 WeakPolarHBondContact O-CB 3.41Å; I118-R122 PolarHBondContact O-N 3.37Å
119L78.1Confident76Confident96 Ų9696.8 Ų96.850%0.50353%0.526SS..Hα-helixtrans-68.4-44.8173.1-93.282.5000111.7I115 T116 R122 S123I115-L119 HydrophobicContact CG2-CD1 3.57Å; I115-L119 VanDerWaalsContact O-CD1 3.25Å; I115-L119 WeakPolarHBondContact O-CD1 3.21Å; I115-L119 PolarHBondContact O-N 3.04Å; T116-L119 PolarHBondContact O-N 2.71Å; L119-R122 CarbonylContact O-C 3.59Å; L119-R122 WeakPolarHBondContact O-CA 3.29Å; L119-R122 PolarHBondContact O-N 2.7Å; L119-S123 PolarHBondContact O-N 3.16Å; L119-S123 PolarHBondContact O-OG 3.22Å
120E80.7Confident74.3Confident97 Ų9798.9 Ų98.945%0.45355%0.549SS..Hα-helixtrans-63.6-42-178-171.6166.9179.900111.6K105 T116 R122 S123 L124K105-E120 IonicContact NZ-OE2 2.91Å; K105-E120 PolarHBondContact NZ-OE2 3.16Å; T116-E120 VanDerWaalsContact O-CB 3.24Å; T116-E120 WeakPolarHBondContact O-CB 3.48Å; T116-E120 PolarHBondContact O-N 3.14Å; E120-R122 VanDerWaalsContact C-N 3.33Å; E120-R122 PolarHBondContact O-N 2.89Å; E120-S123 PolarHBondContact O-OG 2.91Å; E120-L124 WeakPolarHBondContact O-CD1 3.24Å; E120-L124 VanDerWaalsContact O-CG 3.29Å; E120-L124 WeakPolarHBondContact O-CG 3.23Å; E120-L124 PolarHBondContact O-N 2.94Å
121R79.6Confident72.9Confident128 Ų128103 Ų10348%0.48355%0.554SS.*Hα-helixtrans-60.6-41.9169.1-179.3173.1-70.3110.71.9111.9E117 E125E117-R121 VanDerWaalsContact O-CB 3.22Å; E117-R121 WeakPolarHBondContact O-CB 3.45Å; E117-R121 PolarHBondContact O-N 2.95Å; E117-R121 IonicContact OE1-CZ 3.94Å; E117-R121 IonicContact OE1-NH1 2.63Å; E117-R121 PolarHBondContact OE1-NH1 2.8Å; E117-R121 IonicContact OE1-NH2 2.62Å; E117-R121 PolarHBondContact OE1-NH2 3.4Å; R121-E125 WeakPolarHBondContact O-CG 3.16Å; R121-E125 PolarHBondContact O-N 3.48Å
122R79.1Confident71.3Confident169 Ų169103.1 Ų103.164%0.63856%0.561SS**Hα-helixtrans-74.2-31.4-176.6-172.8175.1-178.4171.11.4113.9I118 L119 E120 M126I118-R122 VanDerWaalsContact O-CB 3.23Å; I118-R122 WeakPolarHBondContact O-CB 3.41Å; I118-R122 PolarHBondContact O-N 3.37Å; L119-R122 CarbonylContact O-C 3.59Å; L119-R122 WeakPolarHBondContact O-CA 3.29Å; L119-R122 PolarHBondContact O-N 2.7Å; E120-R122 VanDerWaalsContact C-N 3.33Å; E120-R122 PolarHBondContact O-N 2.89Å; R122-M126 WeakPolarHBondContact O-CG 3.29Å; R122-M126 PolarHBondContact O-N 3.01Å
123S78.9Confident69.8Low52 Ų52105 Ų10536%0.36458%0.576SS.*Hα-helixtrans-67.7-46.6171.948.80000110.6L119 E120 E125 M126 D127L119-S123 PolarHBondContact O-N 3.16Å; L119-S123 PolarHBondContact O-OG 3.22Å; E120-S123 PolarHBondContact O-OG 2.91Å; S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 PolarHBondContact O-N 3.29Å; S123-M126 PolarHBondContact O-N 2.75Å; S123-D127 PolarHBondContact O-N 3.4Å
124L75.5Confident67.9Low119 Ų119106.9 Ų106.962%0.62357%0.573SS**Hα-helixtrans-59.7-34.3175.9-67.5169.2000112.8E120 S128E120-L124 WeakPolarHBondContact O-CD1 3.24Å; E120-L124 VanDerWaalsContact O-CG 3.29Å; E120-L124 WeakPolarHBondContact O-CG 3.23Å; E120-L124 PolarHBondContact O-N 2.94Å; L124-S128 PolarHBondContact O-N 2.91Å
125E74Confident66.3Low122 Ų122112.7 Ų112.757%0.5760%0.596SS**Hα-helixtrans-66.8-37.8172-77171.5-169.900112.8R121 S123 S128R121-E125 WeakPolarHBondContact O-CG 3.16Å; R121-E125 PolarHBondContact O-N 3.48Å; S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 PolarHBondContact O-N 3.29Å; E125-S128 PolarHBondContact O-OG 3.4Å
126M61.8Low64.6Low143 Ų143117.5 Ų117.570%0.70462%0.617SS**Hα-helixtrans-77-33.3178.8-68.9-163.6-47.200113.9R122 S123 S128R122-M126 WeakPolarHBondContact O-CG 3.29Å; R122-M126 PolarHBondContact O-N 3.01Å; S123-M126 PolarHBondContact O-N 2.75Å; M126-S128 PolarHBondContact O-N 2.9Å
127D71.9Confident63.1Low133 Ų133123.1 Ų123.171%0.71164%0.642SS**SBendtrans-74.2-9.4174.7-71.4-36.7000112.6S123 P129S123-D127 PolarHBondContact O-N 3.4Å; D127-P129 VanDerWaalsContact O-CD 3.23Å; D127-P129 WeakPolarHBondContact O-CD 3.29Å
128S68.1Low61.1Low73 Ų73124.5 Ų124.551%0.5166%0.658SS.*SBendtrans-80.4111.9170.981.50000111L124 E125 M126 S130L124-S128 PolarHBondContact O-N 2.91Å; E125-S128 PolarHBondContact O-OG 3.4Å; M126-S128 PolarHBondContact O-N 2.9Å; S128-S130 PolarHBondContact O-N 2.85Å
129P53.1Low59.3Low116 Ų116126.5 Ų126.575%0.75366%0.664SS**  trans-69.1123.1175.828-33.7000109.5D127 Q131D127-P129 VanDerWaalsContact O-CD 3.23Å; D127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-Q131 PolarHBondContact O-N 3.45Å
130S46.7Very low57.1Low122 Ų122127.8 Ų127.885%0.85368%0.682SS**  trans-61.8102.8-174.645.70000112.2S128S128-S130 PolarHBondContact O-N 2.85Å
131Q51.9Low55Low171 Ų171130.6 Ų130.680%0.79969%0.694SS**  trans-64.3141.5178.1-71.4-1622.300111.3P129 V133P129-Q131 PolarHBondContact O-N 3.45Å; Q131-V133 PolarHBondContact O-N 2.98Å; Q131-V133 VanDerWaalsContact O-N 3.16Å
132P46Very low52.8Low125 Ų125129.8 Ų129.881%0.81270%0.704SS**  trans-68.2114.7178.927.7-33.9000110.6N134P132-N134 PolarHBondContact O-N 2.99Å
133V47.4Very low50.7Low132 Ų132128 Ų12880%0.871%0.712SS**  trans-63.498.3177.4-76.90000111.5Q131 N135Q131-V133 PolarHBondContact O-N 2.98Å; Q131-V133 VanDerWaalsContact O-N 3.16Å; V133-N135 VanDerWaalsContact C-N 3.34Å; V133-N135 PolarHBondContact O-N 3.12Å
134N39.4Very low48.5Very low136 Ų136132.1 Ų132.173%0.72773%0.734SS**  trans-74.985.1178.6-171.916.1000111P132 H136P132-N134 PolarHBondContact O-N 2.99Å; N134-H136 VanDerWaalsContact C-N 3.31Å; N134-H136 PolarHBondContact O-N 3.21Å
135N44.5Very low46.8Very low155 Ų155134.9 Ų134.983%0.82974%0.744SS**  trans-78.870.4-166.9-137.518.8000112.6V133 H137V133-N135 VanDerWaalsContact C-N 3.34Å; V133-N135 PolarHBondContact O-N 3.12Å; N135-H137 PolarHBondContact O-N 3.29Å; N135-H137 VanDerWaalsContact O-N 3.14Å
136H44.9Very low44.9Very low157 Ų157138.5 Ų138.573%0.72776%0.758SS**  trans-8292.8178.4-107.4-73000113.1N134N134-H136 VanDerWaalsContact C-N 3.31Å; N134-H136 PolarHBondContact O-N 3.21Å
137H45.6Very low43.4Very low131 Ų131142.4 Ų142.461%0.60677%0.765SS**  trans-50.2128.8167167.2106.4000113N135 H139N135-H137 PolarHBondContact O-N 3.29Å; N135-H137 VanDerWaalsContact O-N 3.14Å; H137-H139 AromaticContact CE1-CD2 3.36Å; H137-H139 PolarHBondContact CE1-CD2 2.95Å; H137-H139 AromaticContact CE1-CE1 3.67Å; H137-H139 AromaticContact CE1-CG 3.71Å; H137-H139 AromaticContact CE1-ND1 3.88Å; H137-H139 AromaticContact CE1-NE2 3.35Å; H137-H139 PolarHBondContact CE1-NE2 2.99Å; H137-H139 VanDerWaalsContact CE1-NE2 3.35Å; H137-H139 AromaticContact NE2-CD2 3.22Å; H137-H139 PolarHBondContact NE2-CD2 3.43Å; H137-H139 AromaticContact NE2-CG 3.65Å; H137-H139 AromaticContact NE2-NE2 3.7Å
138V37.4Very low41.6Very low135 Ų135144 Ų14482%0.81877%0.765SS**  trans-136.7112.8162.5-1800000109.3
139H40.6Very low39.7Very low144 Ų144149.6 Ų149.667%0.66778%0.777SS**  trans-70.8145.9167.8-83.3-51.1000111.8H137H137-H139 AromaticContact CE1-CD2 3.36Å; H137-H139 PolarHBondContact CE1-CD2 2.95Å; H137-H139 AromaticContact CE1-CE1 3.67Å; H137-H139 AromaticContact CE1-CG 3.71Å; H137-H139 AromaticContact CE1-ND1 3.88Å; H137-H139 AromaticContact CE1-NE2 3.35Å; H137-H139 PolarHBondContact CE1-NE2 2.99Å; H137-H139 VanDerWaalsContact CE1-NE2 3.35Å; H137-H139 AromaticContact NE2-CD2 3.22Å; H137-H139 PolarHBondContact NE2-CD2 3.43Å; H137-H139 AromaticContact NE2-CG 3.65Å; H137-H139 AromaticContact NE2-NE2 3.7Å
140S31.1Very low38.5Very low124 Ų124149.7 Ų149.787%0.86778%0.775SS**  trans-141.9154150.8-168.10000110
141H37Very low37.6Very low155 Ų155149.7 Ų149.772%0.71877%0.771SS**  trans-115.6133.6-152.7-121.7-85.3000114.9
142T34.4Very low36.7Very low111 Ų111149 Ų14968%0.68177%0.767SS**  trans7127.9148.8600000121.2
143T33.7Very low36.6Very low133 Ų133148.4 Ų148.482%0.81676%0.763SS**  trans-141.2105.8142.252.50000109.1
144V33.2Very low35.7Very low137 Ų137145.7 Ų145.783%0.8375%0.75SS**  80.5125.989.2169.90000114.6
145E39.1Very low35.2Very low178 Ų178148 Ų14883%0.83276%0.756SS**  trans-79.5157.8-174.8-58-17798.100116.5
146K34.6Very low34.5Very low197 Ų197148.2 Ų148.286%0.85775%0.752SS**  trans-175.3161132-92.2139.9-171.9173.70108.7
147R31.6Very low33.7Very low225 Ų225146 Ų14685%0.84975%0.75SS**  cis177.397.4-32.1168.3-178.7-91.3-158.8-3.5106.4
148K34Very low33Very low166 Ų166145.7 Ų145.772%0.72276%0.757SS**  49.6115128.3-166-173.6-174.2176.10120.4
149Y28.4Very low32.5Very low192 Ų192147.3 Ų147.375%0.75376%0.756SS**  175149.2115.3-112.7-82000115.8
150T27.2Very low32.1Very low117 Ų117149.1 Ų149.172%0.71876%0.764SS**  trans68.2149.5147.5-136.50000120.3
151T28.5Very low32.4Very low123 Ų123148.6 Ų148.676%0.75576%0.756SS**  cis-146.7156.5-0-28.80000112.2
152Q31.8Very low32.7Very low156 Ų156146.3 Ų146.373%0.72975%0.754SS**  trans-79.3169.2159.2-92.3-86.5-1200110.3
153P43.5Very low32.6Very low112 Ų112149.8 Ų149.873%0.72776%0.763SS**  -157140.858.641.7-18.1000121.6
154S29Very low32.5Very low75 Ų75153.5 Ų153.552%0.52477%0.768SS.*  60.9141.112680.50000126.8
155H29.8Very low32.6Very low186 Ų186156.7 Ų156.786%0.86177%0.77SS**  trans69.9151.4159.6-53-57.5000118.8
156H28.3Very low32Very low158 Ų158157.4 Ų157.473%0.73177%0.771SS**  cis-140157.914.474.8-6.5000116.7
157T29.2Very low32.1Very low112 Ų112157.1 Ų157.169%0.68777%0.77SS**  trans39.1157.614552.20000126.5
158T30.5Very low32.3Very low123 Ų123151.2 Ų151.276%0.75576%0.763SS**  trans8686152.226.90000120.9
159E26.5Very low32.6Very low169 Ų169152.2 Ų152.279%0.7977%0.77SS**  26.5107.9120.2-64-64119.600119.2
160H32.7Very low33.2Very low182 Ų182147.6 Ų147.684%0.84377%0.772SS**  -157.6141.6127.3-138.9-78.5000112.1
161V37.9Very low33.6Very low114 Ų114150.8 Ų150.869%0.69178%0.783SS**  trans-100.7140.8174.1174.10000109.3
162P42.2Very low34Very low106 Ų106152.8 Ų152.869%0.68879%0.789SS**  -142.613712334.5-19.4000115.6
163E32.8Very low34.3Very low185 Ų185151 Ų15186%0.86479%0.793SS**  trans67156.8140-60-172.813600122
164K32.7Very low34Very low210 Ų210152.1 Ų152.191%0.91380%0.799SS**  trans-105.1127.4-163.1-60.1172.3-176.9173.60111.1
165K34Very low34.2Very low204 Ų204156.9 Ų156.989%0.88782%0.817SS**  trans-110.8114.3158.1-73.1-172.9176.9-178.70109.2K167K165-K167 PolarHBondContact O-N 3.48Å
166F27.6Very low34.5Very low194 Ų194154.3 Ų154.385%0.85181%0.814SS**  trans-74122.7177.8-165.1-99000109.2
167K35.9Very low34.9Very low191 Ų191152.5 Ų152.583%0.8382%0.82SS**  trans-118.8132.7168.6-72.5-171.6174.3-168.30107.8K165K165-K167 PolarHBondContact O-N 3.48Å
168S35.9Very low34.9Very low101 Ų101153.4 Ų153.471%0.70682%0.82SS**  trans-125.673.6176.956.50000110.6
169E40.6Very low34.9Very low186 Ų186152 Ų15287%0.86982%0.821SS**  trans-104.6165.9154.7-78.4-171.7102.800109
170A39.9Very low35.2Very low95 Ų95149.4 Ų149.479%0.78582%0.821SS**  trans66.869.9176.500000117
171L35.7Very low35.2Very low184 Ų184149.9 Ų149.996%0.96382%0.821SS**  trans-133.871.3144.8-78.6-176000110.5
172L38.3Very low34.8Very low166 Ų166154 Ų15487%0.86983%0.833SS**  trans-137.657.8175.5-141.6170.7000111.1
173S38.1Very low34.2Very low118 Ų118156 Ų15683%0.82584%0.838SS**  trans-166.379169.7-81.30000111
174T37.1Very low34.2Very low136 Ų136153.6 Ų153.683%0.83484%0.836SS**  trans172.997.2148.3-72.60000108.4
175L32.7Very low34.8Very low175 Ų175149.1 Ų149.192%0.91683%0.828SS**  trans-171.779.5145.5-99.5-172.5000106.5
176T36.4Very low34.4Very low131 Ų131143.2 Ų143.280%0.80483%0.826SS**  trans-79.4144.7178.446.30000111.7
177S36.9Very low34.4Very low120 Ų120140.5 Ų140.584%0.83983%0.829SS**  trans-22.3126.9159.3-39.30000117
178D29.3Very low34.1Very low132 Ų132142.4 Ų142.471%0.70683%0.831SS**  -158.8135.8121-159.1-59.7000109.5S180D178-S180 PolarHBondContact OD1-N 3.48Å
179A30.2Very low33.8Very low92 Ų92144.5 Ų144.576%0.7684%0.84SS**  trans-171.166161.700000111.7
180S31.6Very low33.2Very low115 Ų115143 Ų14380%0.80484%0.838SS**  trans-174.598.9156.4-88.30000114.1D178D178-S180 PolarHBondContact OD1-N 3.48Å
181K33.6Very low32.7Very low192 Ų192144.1 Ų144.184%0.83584%0.84SS**  trans-146.4107.4158.5-76.5-174.5-179.9154.20111.2
182E28.6Very low32.4Very low201 Ų201141.2 Ų141.294%0.93983%0.83SS**  trans-79161157.8-78.6-169.192.100111.2
183N30.4Very low32Very low147 Ų147138.9 Ų138.979%0.78682%0.823SS**  trans-155.2121.2176.2177.318.7000111.3
184T33.4Very low31.7Very low135 Ų135138.7 Ų138.783%0.82882%0.821SS**  trans-160.3154.41479.70000109.7
185P44.3Very low31.4Very low116 Ų116136.2 Ų136.275%0.75382%0.815SS**  trans-109131.1-15237.6-32.5000117.2
186G26.8Very low31.5Very low81 Ų81132.7 Ų132.784%0.83581%0.805SS**  47.1126.3123.700000122.8
187C26.8Very low31.3Very low137 Ų137133.2 Ų133.293%0.92680%0.802SS**  trans-137.5165.7142.7-163.10000110.2
188R29.2Very low31Very low230 Ų230134.5 Ų134.587%0.86880%0.8SS**  trans-119.8145.5-171.7-66.3171.9165.1-178.1-5.3112.3
189T29.2Very low31Very low145 Ų145133 Ų13389%0.8980%0.795SS**  trans-156.3154.4145.124.60000110.8
190N29.5Very low31.1Very low156 Ų156139.2 Ų139.283%0.83480%0.801SS**  trans-86.3156.2175.6-69.9-6.4000111.5
191S27.8Very low30.9Very low117 Ų117139.1 Ų139.182%0.81880%0.8SS**  -167.6147.2120-83.10000115.1
192T29.2Very low31Very low123 Ų123136.4 Ų136.476%0.75580%0.799SS**  trans-51.7164.5161.243.80000113.9
193T31.4Very low31Very low118 Ų118134.7 Ų134.772%0.72480%0.797SS**  cis-165171.613.50.70000112.3
194S30.6Very low31.3Very low113 Ų113132.7 Ų132.779%0.7979%0.794SS**  trans-3165.3144.5-47.60000121.8
195A31.5Very low31.3Very low84 Ų84132 Ų13269%0.69479%0.794SS**  cis176.1159.2-25.100000109.7
196S33.9Very low31Very low102 Ų102133.6 Ų133.671%0.71379%0.792SS**  trans65.2113.1149.3-59.70000124
197N32.5Very low32Very low141 Ų141135.8 Ų135.875%0.75479%0.791SS**  73.9150.4122.6-60.9-4.6000124.7
198N30.8Very low32.5Very low148 Ų148136.3 Ų136.379%0.79178%0.784SS**  trans74.2146.3164.2-62.1-20.6000118
199V29.6Very low32.6Very low100 Ų100129.7 Ų129.761%0.60678%0.779SS**  cis139.3139.6-12.9159.40000109.4
200Y32Very low32.8Very low223 Ų223127.5 Ų127.588%0.87577%0.769SS**  trans69.2157.9-169.5-45.4-60000114.1
201S27.4Very low33Very low112 Ų112130.9 Ų130.978%0.78377%0.772SS**  cis-148.1-179.13.3-158.10000112.4
202V36.3Very low33.2Very low136 Ų136132.8 Ų132.882%0.82477%0.773SS**  trans-89.9152.2177.5-68.60000114
203N29.1Very low33.7Very low165 Ų165134.3 Ų134.388%0.88278%0.776SS**  trans-160.3171.3137.8-152.90.1000112
204S35.7Very low33.6Very low104 Ų104133.9 Ų133.973%0.72778%0.778SS**  trans-133.8149.3-176.2178.10000112.1
205S33.3Very low33.7Very low120 Ų120133.8 Ų133.884%0.83978%0.777SS**  trans-155.9132.6167.748.90000113.8
206Q38.8Very low34.1Very low150 Ų150137.7 Ų137.770%0.70179%0.786SS**  trans-84.3167173.7-94-89.6-1600110.5
207P47.8Very low34.5Very low127 Ų127138.8 Ų138.883%0.82579%0.79SS**  -150.5171.765.739.8-17.9000119.7
208L36.1Very low34.7Very low148 Ų148137.1 Ų137.178%0.77580%0.796SS**  trans-90.5168173.1-79.2152.4000113.6
209A32.1Very low34.6Very low92 Ų92133.3 Ų133.376%0.7679%0.792SS**  trans-145.9147.6162.300000111.3
210S33.4Very low35.3Very low98 Ų98135.3 Ų135.369%0.68581%0.807SS**  trans-156.2128-175.4-570000113.6
211Y34.3Very low35.1Very low227 Ų227128.4 Ų128.489%0.8980%0.803SS**  trans-162.9157.6177.4-68.1-66.9000108.8
212N31.9Very low35.5Very low157 Ų157128.5 Ų128.584%0.8481%0.811SS**  cis-162.3173.4-25.3-171.315.2000107.5
213L38.4Very low35.3Very low155 Ų155125.7 Ų125.781%0.81281%0.81SS**  trans-128.2142.6-172.4-170.167.9000115.8
214S31.3Very low36.1Very low109 Ų109123.4 Ų123.476%0.76281%0.814SS**  trans-171.9160.3169.9-82.30000109
215S32.6Very low36.6Very low111 Ų111122.3 Ų122.378%0.77682%0.819SS**  cis-165.9171.7-8.744.90000109.4
216L39.9Very low37.2Very low167 Ų167121.4 Ų121.487%0.87482%0.819SS**  trans-124153.7178-81.1167.1000113.1
217P42.3Very low37.5Very low124 Ų124121.7 Ų121.781%0.80582%0.823SS**  trans-136.6169.4131.437.2-25000114.5
218A35.3Very low37.7Very low107 Ų107122.3 Ų122.388%0.88483%0.825SS**  trans-81.3173.9174.300000111.9
219G28.4Very low38.4Very low68 Ų68123.5 Ų123.570%0.70183%0.828SS**  cis178-143.512.600000110.3
220P44.6Very low38.8Very low142 Ų142123.4 Ų123.492%0.92283%0.828SS**  -96.8154.3-99.337.4-35.3000114.9
221G28.7Very low39.2Very low78 Ų78123.2 Ų123.280%0.80483%0.832SS**  trans167.3147.816800000115.7
222A36.1Very low39.9Very low114 Ų114116 Ų11694%0.94282%0.819SS**  trans-63.1153.9-178.300000115.5
223G32Very low40.8Very low77 Ų77116.8 Ų116.879%0.79482%0.818SS**  trans150.7135.2162.400000114.6
224A44.4Very low40.9Very low117 Ų117113.3 Ų113.397%0.96781%0.811SS**  trans-71.8142.9-179.700000113.3
225G47.3Very low41.6Very low81 Ų81113.6 Ų113.684%0.83581%0.808SS**  trans157.454.1168.200000117.7
226A44.7Very low42.2Very low101 Ų101117 Ų11784%0.83581%0.812SS**  trans-145.649.7-174.200000116.1
227I46.9Very low42.6Very low156 Ų156113.3 Ų113.380%0.881%0.806SS**SBendtrans-126.9-27.6172.2-57.6-178.2000112.6M229I227-M229 VanDerWaalsContact C-N 3.34Å; I227-M229 PolarHBondContact O-N 3.23Å
228T51.2Low42.8Very low140 Ų140113.5 Ų113.586%0.85981%0.805SS**THydrogen-bonded Turntrans-83.511.9-166.7-26.10000116.3
229M49.9Very low43.5Very low172 Ų172112.6 Ų112.685%0.84780%0.797SS**THydrogen-bonded Turntrans-12317.7179.7-71.1-162.6-68.800115.2I227I227-M229 VanDerWaalsContact C-N 3.34Å; I227-M229 PolarHBondContact O-N 3.23Å
230A41.5Very low44.5Very low91 Ų91118.2 Ų118.275%0.75281%0.805SS**SBendtrans-89.2-24.6169.500000113.8A232A230-A232 PolarHBondContact O-N 3.09Å
231A40.8Very low44Very low93 Ų93120.6 Ų120.677%0.76981%0.806SS**THydrogen-bonded Turntrans-83.4-8.4-172.300000115.2
232A49.2Very low44.5Very low76 Ų76126.7 Ų126.763%0.62881%0.811SS**THydrogen-bonded Turntrans-95.4-4.4-168.400000115.4A230A230-A232 PolarHBondContact O-N 3.09Å
233Q50.6Low44.8Very low174 Ų174130.7 Ų130.781%0.81381%0.81SS**SBendtrans-106.34.6-172.3-70.5-172.7-18.900115.2
234A41.5Very low44.9Very low81 Ų81130.5 Ų130.567%0.66981%0.808SS**SBendtrans-88.6-11.2179.900000115
235V45.9Very low44.5Very low115 Ų115136.3 Ų136.370%0.69781%0.805SS**SBendtrans-100.8-12.5-165.1-174.70000113.8
236Q45.7Very low44.2Very low183 Ų183144.4 Ų144.486%0.85581%0.81SS**SBendtrans-96.92.7-177.3-68.9-175.2-1700114.6
237A46.8Very low44.2Very low90 Ų90145.3 Ų145.374%0.74481%0.806SS**SBendtrans-96.8-2.6-172.300000115.7
238T47.3Very low44Very low128 Ų128143.3 Ų143.379%0.78581%0.805SS**SBendtrans-119-1.2-174.550.40000114.7Q240T238-Q240 PolarHBondContact O-N 2.71Å
239A49.6Very low43.9Very low87 Ų87141.7 Ų141.772%0.71980%0.8SS**SBendtrans-86.45.5-170.800000115.7
240Q49.8Very low43.7Very low186 Ų186141.7 Ų141.787%0.86980%0.802SS**  trans-142.677.8-176.8-66.2-168.29.300113.8T238T238-Q240 PolarHBondContact O-N 2.71Å
241M33.3Very low43.7Very low193 Ų193145 Ų14595%0.95180%0.8SS**  trans-133126.4154.3-67.9-166.9-178.700109.3
242K40.5Very low43.8Very low206 Ų206145.2 Ų145.290%0.89680%0.802SS**  trans-90.9156-176.9-93.4-174173.1-178.10112.2
243E40.8Very low43.3Very low197 Ų197146.8 Ų146.892%0.92181%0.808SS**  trans-60.9148.3171.5-61.3146.3101.100112.6
244G35.3Very low42.6Very low74 Ų74149 Ų14976%0.76381%0.81SS**  trans-159.5105174.200000113.1
245R35.1Very low42.6Very low239 Ų239152.2 Ų152.290%0.90281%0.811SS**  trans58.879.3166.5-167.4179-94.4-149.6-5.6117T247R245-T247 HydrophobicContact CG-CG2 4.46Å
246R42.3Very low42.4Very low251 Ų251151 Ų15195%0.94781%0.813SS**  trans-80.4149.4141.4-77.6174.9163.4151.3-7.6109.3
247T44.5Very low42.3Very low120 Ų120149.8 Ų149.874%0.73681%0.811SS**  trans-108.295.1172.947.20000111.9R245R245-T247 HydrophobicContact CG-CG2 4.46Å
248S41.9Very low42Very low113 Ų113154.8 Ų154.879%0.7982%0.816SS**SBendtrans36.5110.414656.80000121.1
249S49.5Very low41.8Very low106 Ų106156 Ų15674%0.74182%0.817SS**  trans-164.2-51.6134.956.40000112.9K251S249-K251 PolarHBondContact O-N 3.46Å
250L46Very low41Very low172 Ų172159 Ų15990%0.90182%0.822SS**SBendtrans-84.359-166.8-61.6175.6000115.7
251K41.7Very low40.1Very low162 Ų162157.2 Ų157.270%0.70482%0.818SS**  trans-147.660165.3-156.3-159173-158.40113.9S249 E255S249-K251 PolarHBondContact O-N 3.46Å; K251-E255 IonicContact NZ-OE1 3.2Å; K251-E255 PolarHBondContact NZ-OE1 2.94Å; K251-E255 IonicContact NZ-OE2 3.53Å; K251-E255 PolarHBondContact NZ-OE2 2.79Å
252A42Very low39.8Very low97 Ų97156.5 Ų156.580%0.80281%0.81SS**SBendtrans-129.7-14.1178.700000115.5
253S39.4Very low39.5Very low108 Ų108154.7 Ų154.776%0.75581%0.805SS**SBendtrans-109.11.3-163.845.20000116.7
254Y36Very low39.1Very low221 Ų221153 Ų15387%0.86780%0.801SS**SBendtrans-122.70.9-171.1-141.3-95.6000116.7
255E40.4Very low38.8Very low148 Ų148152.6 Ų152.669%0.69280%0.797SS**SBendtrans-101.71.3178-79.4169.5165.800113.4K251K251-E255 IonicContact NZ-OE1 3.2Å; K251-E255 PolarHBondContact NZ-OE1 2.94Å; K251-E255 IonicContact NZ-OE2 3.53Å; K251-E255 PolarHBondContact NZ-OE2 2.79Å
256A42.4Very low38.8Very low89 Ų89151.7 Ų151.774%0.73679%0.793SS**SBendtrans-82.5-14.3-174.500000116.2
257I43.8Very low38.2Very low159 Ų159145.8 Ų145.882%0.81578%0.776SS**SBendtrans-100.5-15.2-169.1-59.6176.9000112.9
258K41.1Very low37.3Very low195 Ų195149.2 Ų149.285%0.84878%0.781SS**SBendtrans-83.5-19.2-170.9-166.4166.5-178.9178.50115.3
259N41.7Very low36.8Very low152 Ų152148.9 Ų148.981%0.81378%0.779SS**  trans-117.778.2-176.3-74.54.9000111.7
260N33.8Very low35.9Very low152 Ų152150.7 Ų150.781%0.81378%0.78SS**  trans-146.288.4155.9-145.9-12.3000110.1F262N260-F262 PolarHBondContact O-N 3.25Å
261D30.3Very low35.2Very low147 Ų147148.1 Ų148.179%0.78677%0.772SS**  trans-80.1111.5170.1-173.5-93.9000108
262F27.7Very low34.7Very low179 Ų179146 Ų14679%0.78578%0.777SS**  trans-127.3121.7164.1-169-98.9000110.4N260 L264N260-F262 PolarHBondContact O-N 3.25Å; F262-L264 HydrophobicContact CE1-CD1 4.49Å
263Q33.1Very low34.3Very low168 Ų168152.1 Ų152.179%0.78578%0.78SS**  trans-99.5112.6-163.2-173.3177.735.400111.4
264L33.1Very low33.9Very low161 Ų161153.3 Ų153.384%0.84378%0.777SS**  trans-149.3130.9163.4-128.9162.4000107.7F262F262-L264 HydrophobicContact CE1-CD1 4.49Å
265G29.7Very low33.6Very low65 Ų65149.4 Ų149.467%0.6778%0.776SS**  trans-165.9-170.9-17500000116.3
266R34.3Very low33.3Very low220 Ų220148.9 Ų148.983%0.8378%0.784SS**  trans86.4144160.3-142.4-177158.4158.7-2116.7
267E29.9Very low32.8Very low127 Ų127148.6 Ų148.659%0.59379%0.79SS**  trans59.8106.6173.2-39.7-55.3172.200115.8
268F26.3Very low32.3Very low192 Ų192145.5 Ų145.584%0.84279%0.788SS**  -162.2165.465-119.1-92000113.7
269S30.6Very low32Very low107 Ų107147.5 Ų147.575%0.74879%0.792SS**  trans-138126.5173.5173.40000110.8
270L30.1Very low31.6Very low144 Ų144146 Ų14675%0.75479%0.793SS**  trans-155.9131.7166.3-79.7-171000114.3
271T32.6Very low31.8Very low118 Ų118145.2 Ų145.272%0.72479%0.794SS**  trans59.5104.7143.359.40000123.6
272S31Very low32.1Very low117 Ų117143.8 Ų143.882%0.81880%0.795SS**  21.3132.3127.5-44.50000123.2
273R32.8Very low32.4Very low226 Ų226139.3 Ų139.385%0.85379%0.791SS**  -159.6152.7105.2-165.171.682.5148.110.7111.6
274D30.9Very low32.4Very low133 Ų133140 Ų14071%0.71180%0.799SS**  trans-64160178.1-38-105.5000115.2
275T31.1Very low32.4Very low138 Ų138136.2 Ų136.285%0.84779%0.792SS**  -165.9146.7112.8-74.40000111.6
276T34.1Very low32.7Very low138 Ų138140 Ų14085%0.84780%0.796SS**  trans-63.6149.4-169.852.70000117.3
277G30.2Very low32.6Very low83 Ų83135.2 Ų135.286%0.85679%0.792SS**  trans-178.793.2159.900000112.7
278A33.9Very low32.8Very low94 Ų94135.9 Ų135.978%0.77780%0.799SS**  trans-129.2134.3-171.600000114
279Y34.8Very low33Very low237 Ų237132 Ų13293%0.92979%0.791SS**  trans-154148.3139.950-93000109.5
280S34.4Very low33.3Very low121 Ų121134.4 Ų134.485%0.84679%0.79SS**  trans-116.8162.5-160.5-59.50000114.4
281T37.3Very low33.1Very low135 Ų135132.8 Ų132.883%0.82879%0.786SS**  trans-75.8146.2177.953.40000115
282S35.9Very low33Very low116 Ų116134.3 Ų134.381%0.81179%0.789SS**  trans-158.5140.4137.953.10000108.5
283A34.7Very low33Very low85 Ų85134.2 Ų134.270%0.70278%0.784SS**  cis77.896.718.400000115.8
284L33Very low33.9Very low183 Ų183129 Ų12996%0.95878%0.779SS**  177.6172.2110.6-93168.6000111.6
285A33.7Very low33.8Very low82 Ų82127.8 Ų127.868%0.67879%0.788SS**  trans-124.5-172.9-176.700000112.3
286N34.8Very low33.7Very low144 Ų144124.4 Ų124.477%0.7778%0.78SS**  trans97.995.1157.3-64.8-6.5000121.4
287T31.7Very low33.6Very low120 Ų120123.9 Ų123.974%0.73678%0.782SS**  67.6151.8115.9-10.50000123.7
288L34.5Very low33.8Very low140 Ų140123.9 Ų123.973%0.73378%0.775SS**  trans100.5101.9149.7-70.4154.4000119.9
289T31.6Very low33.8Very low111 Ų111127.7 Ų127.768%0.68178%0.78SS**  49.7152.4124.959.10000121.3
290Q35.5Very low34Very low158 Ų158120.1 Ų120.174%0.73877%0.766SS**  cis-166.6138.532.3-142.7168.791.700113.1
291T27.1Very low34.1Very low109 Ų109119.5 Ų119.567%0.66976%0.762SS**  trans56.7150.3138.2540000126.9
292L30.2Very low33.9Very low150 Ų150117.9 Ų117.979%0.78575%0.749SS**  trans89.292.5148.2-70.8150.3000122
293T30.7Very low34Very low115 Ų115117.9 Ų117.971%0.70675%0.749SS**  12.3163.4115.6570000122.1
294P51.9Low34.3Very low116 Ų116123.7 Ų123.775%0.75375%0.752SS**  cis-139.8-169.6-20.935.7-14.5000115.1
295A29.6Very low34.3Very low108 Ų108119 Ų11989%0.89375%0.749SS**  trans71.1153163.900000117.9
296G28.9Very low34.3Very low67 Ų67118.8 Ų118.869%0.69175%0.754SS**  cis169131.9-12.400000114.2
297S30.9Very low34.7Very low127 Ų127123.4 Ų123.489%0.88876%0.761SS**  trans58.3123.9162.2-58.90000120.7
298A33.9Very low34.9Very low84 Ų84126.8 Ų126.869%0.69477%0.765SS**  162.9129113.900000115.4
299I35.5Very low35.2Very low173 Ų173126.5 Ų126.589%0.88777%0.769SS**  56.7135.3124.4-57.5165000118
300A37.7Very low35.4Very low78 Ų78130.5 Ų130.565%0.64578%0.777SS**  cis-157.9171.52800000116.1
301S36.6Very low35.1Very low108 Ų108126.8 Ų126.876%0.75578%0.782SS**  trans22.9129.5146.657.70000121.9
302D33.2Very low35.3Very low102 Ų102128.9 Ų128.955%0.54579%0.789SS.*  76.6111.651-173.617000115.7R304D302-R304 VanDerWaalsContact CG-NE 3.34Å; D302-R304 WeakPolarHBondContact OD1-CG 3.23Å; D302-R304 IonicContact OD1-CZ 2.67Å; D302-R304 IonicContact OD1-NE 3.48Å; D302-R304 PolarHBondContact OD1-NE 3.02Å; D302-R304 IonicContact OD1-NH2 3.96Å; D302-R304 IonicContact OD2-CZ 3.57Å; D302-R304 IonicContact OD2-NE 3.16Å; D302-R304 PolarHBondContact OD2-NE 3.43Å; D302-R304 IonicContact OD2-NH2 2.71Å; D302-R304 PolarHBondContact OD2-NH2 3.16Å
303S38.3Very low35.6Very low116 Ų116127.3 Ų127.381%0.81179%0.785SS**  trans174.9157.9143.4-81.60000112.8
304R40.3Very low35.7Very low206 Ų206130.7 Ų130.778%0.77779%0.79SS**  177.6146.8-52.4-104.1172.5-166.6-143.57.3111.5D302D302-R304 VanDerWaalsContact CG-NE 3.34Å; D302-R304 WeakPolarHBondContact OD1-CG 3.23Å; D302-R304 IonicContact OD1-CZ 2.67Å; D302-R304 IonicContact OD1-NE 3.48Å; D302-R304 PolarHBondContact OD1-NE 3.02Å; D302-R304 IonicContact OD1-NH2 3.96Å; D302-R304 IonicContact OD2-CZ 3.57Å; D302-R304 IonicContact OD2-NE 3.16Å; D302-R304 PolarHBondContact OD2-NE 3.43Å; D302-R304 IonicContact OD2-NH2 2.71Å; D302-R304 PolarHBondContact OD2-NH2 3.16Å
305G33.2Very low34.9Very low86 Ų86129.8 Ų129.889%0.88779%0.787SS**  trans89.7153.7164.500000115.8
306G34.2Very low35.2Very low77 Ų77130 Ų13079%0.79478%0.781SS**  cis160.8171.3-100000110.3
307R43.9Very low35.4Very low241 Ų241133.3 Ų133.391%0.90978%0.783SS**  cis-174168.2-5.3-167.7-178.7-173.9-163.54109.1
308K35.3Very low35.7Very low191 Ų191134.7 Ų134.783%0.8378%0.775SS**  trans109.3141.6159-62173-179.6178.20115
309T41Very low35.8Very low133 Ų133139.3 Ų139.382%0.81678%0.782SS**  cis-160-159.7-16.527.70000107.4
310K34.7Very low35.7Very low196 Ų196136.2 Ų136.285%0.85278%0.776SS**  cis-164.394.813.6-175.7-158.1169.8-172.70113.7
311G29.6Very low35.5Very low80 Ų80137.5 Ų137.583%0.82578%0.781SS**  trans75.3170165.300000116.6
312N32.1Very low35.3Very low153 Ų153137.7 Ų137.782%0.81878%0.782SS**  cis-149.3170.8-3.3-171.125.4000111.9
313T35.2Very low35.4Very low116 Ų116138.1 Ų138.171%0.71279%0.793SS**  trans-63.9157.5-178.663.60000114.4
314K32.9Very low35.2Very low187 Ų187137.9 Ų137.981%0.81379%0.791SS**  178.813759.4-178.4172178.5-179.70114.8
315S36.3Very low34.9Very low97 Ų97133.1 Ų133.168%0.67879%0.79SS**  trans47.3131.5148.6-52.50000126.3
316S35.5Very low34.9Very low111 Ų111133.8 Ų133.878%0.77678%0.781SS**  105137.8124.968.60000124.3
317N32.7Very low35Very low137 Ų137135.1 Ų135.173%0.73378%0.778SS**  trans6899.6153.3-78.134.5000125.3
318H38.6Very low34.5Very low156 Ų156128.6 Ų128.672%0.72277%0.769SS**  41.1112.3112.9-67.3-78.9000122.2
319Q34.3Very low34.6Very low181 Ų181127.4 Ų127.485%0.84677%0.771SS**  164.6136.7117.1-88.8154.298.500109.4
320S33.6Very low34.2Very low108 Ų108127.2 Ų127.276%0.75578%0.775SS**  cis97.481.612.385.50000118
321S33.8Very low34.4Very low106 Ų106123.6 Ų123.674%0.74177%0.774SS**  trans-167.9138.3155.752.60000107.4
322S32.8Very low34.2Very low111 Ų111126 Ų12678%0.77678%0.777SS**  cis66.9136.642.677.90000114.8
323S35.3Very low34.3Very low111 Ų111124.2 Ų124.278%0.77678%0.777SS**  cis-109-113.3-10.742.60000112.8
324S33.6Very low34.2Very low112 Ų112124 Ų12478%0.78378%0.78SS**  cis-143.3171.58.9-60.10000111
325S34.8Very low34.4Very low106 Ų106120.6 Ų120.674%0.74178%0.78SS**  trans-127.9-178.1-173.552.50000113.5
326S33Very low34.3Very low100 Ų100121.2 Ų121.270%0.69978%0.784SS**  trans74.9101.6154.759.40000121.9
327S35.8Very low34.2Very low104 Ų104120.6 Ų120.673%0.72779%0.786SS**  75.8137.1114.471.60000124.2
328S32.6Very low34.1Very low105 Ų105122.1 Ų122.173%0.73479%0.793SS**  trans86.3101.1142.8-59.80000121.4
329L37.9Very low34Very low166 Ų166118.4 Ų118.487%0.86979%0.789SS**  39114.4129.2-57.7174.6000120.1
330S32.9Very low34.1Very low128 Ų128117.8 Ų117.890%0.89579%0.786SS**  -168.6155.8126-84.70000112.3
331S38.5Very low34Very low120 Ų120118.7 Ų118.784%0.83978%0.779SS**  trans-82.9158.8-171.2-44.50000114.6
332C25.4Very low33.8Very low131 Ų131121.9 Ų121.989%0.88579%0.786SS**  trans-142.4150.1155.364.10000110.9
333S34.3Very low33.9Very low115 Ų115120 Ų12080%0.80477%0.773SS**  trans-131.1143.2-172.7-50.70000111.9
334S32.9Very low33.9Very low112 Ų112123.4 Ų123.478%0.78378%0.777SS**  trans-165.9131.2158.9-77.70000107.1
335S37.4Very low34Very low115 Ų115127.3 Ų127.380%0.80478%0.783SS**  67.2131.760.8-54.60000111.8
336S35Very low34Very low111 Ų111128.7 Ų128.778%0.77679%0.787SS**  cis-162.91323.740.50000108.1
337A33.3Very low33.9Very low98 Ų98129.6 Ų129.681%0.8179%0.793SS**  79.5115.371.800000115.8
338L30.9Very low33.7Very low169 Ų169129.2 Ų129.289%0.88580%0.796SS**  trans-168.1118.4158.5-91.5169.5000104.3
339A35.6Very low33.7Very low78 Ų78132.3 Ų132.365%0.64580%0.803SS**  67.7138.256.500000112.9
340Q35.9Very low33.8Very low167 Ų167130 Ų13078%0.7880%0.799SS**  cis-166.5163.5-4.6-116.5179.8-75.700106.9
341E32.3Very low34.3Very low128 Ų128133.3 Ų133.360%0.59880%0.8SS**  cis-164.9162.7-9.7-158.1-163.4108.200108.8S343E341-S343 PolarHBondContact OE1-OG 3.42Å
342L28.9Very low34Very low172 Ų172132.5 Ų132.590%0.90179%0.794SS**  trans-154.7153140.6-165.256.1000111.3
343S35.1Very low34.9Very low71 Ų71135.9 Ų135.950%0.49780%0.797SS.*  trans-113.5170.1-167.9-85.50000114.5E341E341-S343 PolarHBondContact OE1-OG 3.42Å
344Q34.8Very low34.8Very low183 Ų183136.1 Ų136.186%0.85579%0.794SS**  trans73.9105.7159.8-66.6153.610.300119.7
345Q35.4Very low35.1Very low194 Ų194137.7 Ų137.791%0.90779%0.793SS**  -153148.899.1-111.5-178.3-72.600111.8
346V35.4Very low35.1Very low136 Ų136140.2 Ų140.282%0.82480%0.798SS**  trans-118.8135.8176.6169.30000108.3
347S31.6Very low35.3Very low118 Ų118142.3 Ų142.383%0.82580%0.795SS**  trans-155.8140.1158.5-91.50000111.1
348A31.4Very low35.8Very low97 Ų97142.3 Ų142.380%0.80279%0.785SS**PPolyproline II helixtrans-50.1144.4-167.500000118
349L33.1Very low36.2Very low169 Ų169140.2 Ų140.289%0.88578%0.775SS**PPolyproline II helixtrans-94.7135148.5-70.2168.7000108.5
350P39.9Very low36.7Very low119 Ų119146.8 Ų146.877%0.77378%0.783SS**PPolyproline II helixtrans-87.3132.9161.333.3-28.9000110.3
351E42.8Very low37.3Very low196 Ų196144.8 Ų144.892%0.91678%0.782SS**PPolyproline II helixtrans-74.2139.8165.1-69.4163.1114.800109.7
352S32.1Very low38.1Very low103 Ų103143.4 Ų143.472%0.7277%0.772SS**  trans-129.389.4170.163.80000109.8T354S352-T354 PolarHBondContact O-N 3.04Å
353E44Very low39.3Very low203 Ų203139.8 Ų139.895%0.94975%0.754SS**  trans-66.4110.3162.9-68.1-167131.300108.8
354T33.3Very low40.9Very low120 Ų120142.5 Ų142.574%0.73677%0.77SS**  trans-126.7124171.6-490000108.5S352 N356S352-T354 PolarHBondContact O-N 3.04Å; T354-N356 PolarHBondContact O-N 3.35Å
355N39.3Very low42.4Very low144 Ų144140.4 Ų140.477%0.7776%0.764SS**  trans-47.8120.7-169.7-67.2-63.7000114.4Q357N355-Q357 HydrophobicContact CB-CB 4.19Å; N355-Q357 PolarHBondContact O-N 3.26Å
356N37.9Very low44.2Very low168 Ų168134.3 Ų134.390%0.89874%0.736SS**  trans-73.564.5152.6-87-39.4000109.5T354 V358T354-N356 PolarHBondContact O-N 3.35Å; N356-V358 PolarHBondContact O-N 3.36Å; N356-V358 VanDerWaalsContact O-N 3.13Å
357Q37.8Very low46Very low156 Ų156131.3 Ų131.373%0.72972%0.719SS**  trans-79.191.3168.9-175.8168.3-5.300107.8N355 D359N355-Q357 HydrophobicContact CB-CB 4.19Å; N355-Q357 PolarHBondContact O-N 3.26Å; Q357-D359 PolarHBondContact O-N 2.98Å
358V44.1Very low48.4Very low97 Ų97131.6 Ų131.659%0.58870%0.702SS**  trans-61.7108.7170.1178.50000107.6N356 W360N356-V358 PolarHBondContact O-N 3.36Å; N356-V358 VanDerWaalsContact O-N 3.13Å; V358-W360 HydrophobicContact CG1-CD2 4.47Å; V358-W360 HydrophobicContact CG1-CZ2 4.44Å; V358-W360 VanDerWaalsContact O-CD1 3.26Å; V358-W360 PolarHBondContact O-N 3.21Å; V358-W360 VanDerWaalsContact O-N 3.08Å
359D39.6Very low50.9Low126 Ų126130.3 Ų130.367%0.67468%0.677SS**  trans-73.499.2175.5-17149.2000109.1Q357 T361Q357-D359 PolarHBondContact O-N 2.98Å; D359-T361 PolarHBondContact O-N 3.28Å
360W45.1Very low53.5Low215 Ų215122.4 Ų122.481%0.81464%0.636SS**  trans-74.492.7174.2-70.992.6000108.5V358 Y362V358-W360 HydrophobicContact CG1-CD2 4.47Å; V358-W360 HydrophobicContact CG1-CZ2 4.44Å; V358-W360 VanDerWaalsContact O-CD1 3.26Å; V358-W360 PolarHBondContact O-N 3.21Å; V358-W360 VanDerWaalsContact O-N 3.08Å; W360-Y362 VanDerWaalsContact C-N 3.34Å; W360-Y362 PolarHBondContact O-N 3.06Å
361T49.7Very low55.6Low125 Ų125121.3 Ų121.377%0.76762%0.623SS**  trans-57.196172.7400000109.8D359 D363D359-T361 PolarHBondContact O-N 3.28Å; T361-D363 PolarHBondContact O-N 3.04Å
362Y48.9Very low57.7Low99 Ų99114.2 Ų114.239%0.38859%0.594SS.*  trans-69.298.4-167.7-164.5-73.6000110.1W360 P364 R368 Q374 V375W360-Y362 VanDerWaalsContact C-N 3.34Å; W360-Y362 PolarHBondContact O-N 3.06Å; Y362-P364 WeakPolarHBondContact O-CD 3.27Å; Y362-P364 VanDerWaalsContact O-N 3.09Å; Y362-R368 PolarHBondContact OH-NE 2.92Å; Y362-R368 PolarHBondContact OH-NH2 2.74Å; Y362-Q374 PolarHBondContact OH-OE1 2.6Å; Y362-V375 HydrophobicContact CE1-CG1 4.25Å; Y362-V375 HydrophobicContact CE2-CG1 4.05Å
363D55Low60.1Low97 Ų97113.7 Ų113.752%0.51958%0.583SS.*  trans-56.5114.9176.1-172.6-25.6000109.2T361 N365 E366T361-D363 PolarHBondContact O-N 3.04Å; D363-N365 PolarHBondContact O-N 3.18Å; D363-N365 VanDerWaalsContact OD1-CB 3.29Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 2.97Å; D363-E366 PolarHBondContact O-N 3.3Å
364P67.8Low61.7Low128 Ų128107.6 Ų107.683%0.83156%0.555SS**THydrogen-bonded Turntrans-63.7-9.5-177.8-22.535.2000114Y362Y362-P364 WeakPolarHBondContact O-CD 3.27Å; Y362-P364 VanDerWaalsContact O-N 3.09Å
365N65.4Low64.3Low138 Ų138103.2 Ų103.274%0.73853%0.528SS*.THydrogen-bonded Turntrans-103.1-0.9-176.5-16674.5000113.9D363D363-N365 PolarHBondContact O-N 3.18Å; D363-N365 VanDerWaalsContact OD1-CB 3.29Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 2.97Å
366E73.4Confident66.3Low66 Ų6699.4 Ų99.431%0.30851%0.513SS..SBendtrans-70.1128.1173.2-165.9-172.715200111D363 R368 V375 S376D363-E366 PolarHBondContact O-N 3.3Å; E366-R368 PolarHBondContact O-N 2.82Å; E366-V375 HydrophobicContact CB-CG1 4.03Å; E366-V375 VanDerWaalsContact CD-CB 3.49Å; E366-V375 HydrophobicContact CG-CG1 4.18Å; E366-V375 WeakPolarHBondContact OE1-CB 3.37Å; E366-V375 WeakPolarHBondContact OE2-CB 3.47Å; E366-V375 VanDerWaalsContact OE2-CG1 3.28Å; E366-V375 WeakPolarHBondContact OE2-CG1 3.23Å; E366-S376 PolarHBondContact OE1-N 2.98Å; E366-S376 PolarHBondContact OE1-OG 3.33Å
367P73.1Confident68.4Low73 Ų7397 Ų9747%0.47449%0.492SS..PPolyproline II helixtrans-61.4135.2175.624.4-34.2000112Y369P367-Y369 HydrophobicContact CB-CE2 4.13Å; P367-Y369 HydrophobicContact CG-CE2 3.86Å; P367-Y369 VanDerWaalsContact CG-OH 3.3Å; P367-Y369 WeakPolarHBondContact CG-OH 3.48Å; P367-Y369 VanDerWaalsContact O-CD2 3.27Å; P367-Y369 WeakPolarHBondContact O-CD2 3.32Å; P367-Y369 VanDerWaalsContact O-CE2 3.23Å; P367-Y369 WeakPolarHBondContact O-CE2 3.35Å
368R82Confident70.6Confident125 Ų12593.3 Ų93.347%0.47250%0.495SS..PPolyproline II helixtrans-91133.6-179-71.2170.6173.7-133.78.1111.8Y362 E366 N373 Q374Y362-R368 PolarHBondContact OH-NE 2.92Å; Y362-R368 PolarHBondContact OH-NH2 2.74Å; E366-R368 PolarHBondContact O-N 2.82Å; R368-N373 WeakPolarHBondContact CB-OD1 3.33Å; R368-N373 WeakPolarHBondContact CD-O 3.29Å; R368-N373 PolarHBondContact NH1-O 3.21Å; R368-Q374 WeakPolarHBondContact CA-O 3.31Å
369Y84.6Confident72.7Confident69 Ų6994.5 Ų94.527%0.27149%0.494SS..BIsolated β-bridgetrans-122.1173.7-176.5-58.9-72.2000111.7P367 N373 Q374 M380 W392P367-Y369 HydrophobicContact CB-CE2 4.13Å; P367-Y369 HydrophobicContact CG-CE2 3.86Å; P367-Y369 VanDerWaalsContact CG-OH 3.3Å; P367-Y369 WeakPolarHBondContact CG-OH 3.48Å; P367-Y369 VanDerWaalsContact O-CD2 3.27Å; P367-Y369 WeakPolarHBondContact O-CD2 3.32Å; P367-Y369 VanDerWaalsContact O-CE2 3.23Å; P367-Y369 WeakPolarHBondContact O-CE2 3.35Å; Y369-N373 WeakPolarHBondContact O-CA 3.45Å; Y369-N373 PolarHBondContact O-N 3.35Å; Y369-Q374 PolarHBondContact N-O 2.9Å; Y369-Q374 PolarHBondContact O-N 3.29Å; Y369-M380 HydrophobicContact CD2-CE 4.44Å; Y369-M380 HydrophobicContact CG-CE 4.23Å; Y369-W392 HydrophobicContact CD1-CB 4.01Å; Y369-W392 HydrophobicContact CD1-CG 4.41Å; Y369-W392 HydrophobicContact CG-CB 4.3Å
370C87.5Confident75.1Confident4 Ų490.6 Ų90.63%0.02747%0.473CS..THydrogen-bonded Turntrans59.2173.8-179.1-159.70000115.5C372 N373 I390 W392 F393 H394 C397C370-C372 PolarHBondContact O-N 3.34Å; C370-N373 PolarHBondContact O-N 2.85Å; C370-I390 VanDerWaalsContact N-CG2 3.29Å; C370-W392 VanDerWaalsContact CA-O 3.26Å; C370-W392 WeakPolarHBondContact CA-O 3.25Å; C370-W392 PolarHBondContact N-O 3.49Å; C370-F393 HydrophobicContact CB-CB 4.43Å; C370-F393 HydrophobicContact CB-CD1 4.35Å; C370-F393 VanDerWaalsContact SG-CA 3.58Å; C370-H394 WeakPolarHBondContact CB-ND1 3.45Å; C370-H394 PolarHBondContact SG-N 3.21Å; C370-H394 VanDerWaalsContact SG-N 3.43Å; C370-C397 WeakPolarHBondContact SG-CB 3.37Å
371I85.1Confident77.2Confident96 Ų9680.9 Ų80.949%0.49244%0.437SS..THydrogen-bonded Turntrans-68-15.6174.362.1174.7000113.6N373 F393 C397I371-N373 VanDerWaalsContact C-N 3.33Å; I371-F393 HydrophobicContact CG2-CD1 4.18Å; I371-F393 HydrophobicContact CG2-CE1 3.84Å; I371-C397 WeakPolarHBondContact CD1-O 3.32Å; I371-C397 HydrophobicContact CG1-CB 4.41Å
372C87Confident79.2Confident46 Ų4676.3 Ų76.331%0.31141%0.414SS..THydrogen-bonded Turntrans-82.2-11.1174.163.70000113C370 Q374 H394C370-C372 PolarHBondContact O-N 3.34Å; C372-Q374 HydrophobicContact CB-CG 4.41Å; C372-H394 PolarHBondContact SG-CE1 3.43Å; C372-H394 PolarHBondContact SG-ND1 3.05Å
373N80.8Confident81.2Confident92 Ų9272.2 Ų72.249%0.49240%0.4SS..THydrogen-bonded Turntrans5550.2179.2-164.449.6000112.9R368 Y369 C370 I371R368-N373 WeakPolarHBondContact CB-OD1 3.33Å; R368-N373 WeakPolarHBondContact CD-O 3.29Å; R368-N373 PolarHBondContact NH1-O 3.21Å; Y369-N373 WeakPolarHBondContact O-CA 3.45Å; Y369-N373 PolarHBondContact O-N 3.35Å; C370-N373 PolarHBondContact O-N 2.85Å; I371-N373 VanDerWaalsContact C-N 3.33Å
374Q79.4Confident82.8Confident75 Ų7570.9 Ų70.935%0.3539%0.393SS..BIsolated β-bridgetrans-123.9168.1-179-69.5-66.64.200111.6Y362 R368 Y369 C372 Y377Y362-Q374 PolarHBondContact OH-OE1 2.6Å; R368-Q374 WeakPolarHBondContact CA-O 3.31Å; Y369-Q374 PolarHBondContact N-O 2.9Å; Y369-Q374 PolarHBondContact O-N 3.29Å; C372-Q374 HydrophobicContact CB-CG 4.41Å; Q374-Y377 HydrophobicContact CB-CE1 4.16Å
375V86.2Confident83.6Confident28 Ų2866.2 Ų66.217%0.1736%0.361CS..  trans-53.5167.1172.8-65.20000113.7Y362 E366 Y377 H394Y362-V375 HydrophobicContact CE1-CG1 4.25Å; Y362-V375 HydrophobicContact CE2-CG1 4.05Å; E366-V375 HydrophobicContact CB-CG1 4.03Å; E366-V375 VanDerWaalsContact CD-CB 3.49Å; E366-V375 HydrophobicContact CG-CG1 4.18Å; E366-V375 WeakPolarHBondContact OE1-CB 3.37Å; E366-V375 WeakPolarHBondContact OE2-CB 3.47Å; E366-V375 VanDerWaalsContact OE2-CG1 3.28Å; E366-V375 WeakPolarHBondContact OE2-CG1 3.23Å; V375-Y377 HydrophobicContact CG2-CD1 4.5Å; V375-Y377 WeakPolarHBondContact O-CD1 3.22Å; V375-Y377 PolarHBondContact O-N 3.17Å; V375-H394 PolarHBondContact O-CE1 3.36Å; V375-H394 PolarHBondContact O-NE2 3.35Å
376S82.4Confident84.4Confident65 Ų6568.2 Ų68.246%0.45537%0.366SS..  trans-72.4118.2174.157.30000111E366E366-S376 PolarHBondContact OE1-N 2.98Å; E366-S376 PolarHBondContact OE1-OG 3.33Å
377Y82.1Confident84.8Confident118 Ų11871 Ų7146%0.46338%0.383SS..  trans-146.1137.2-179.671-98.3000113.1Q374 V375 H394Q374-Y377 HydrophobicContact CB-CE1 4.16Å; V375-Y377 HydrophobicContact CG2-CD1 4.5Å; V375-Y377 WeakPolarHBondContact O-CD1 3.22Å; V375-Y377 PolarHBondContact O-N 3.17Å; Y377-H394 AromaticContact CD1-CD2 3.65Å; Y377-H394 AromaticContact CD1-CE1 3.92Å; Y377-H394 AromaticContact CD1-NE2 3.31Å; Y377-H394 VanDerWaalsContact CD1-NE2 3.31Å; Y377-H394 WeakPolarHBondContact CD1-NE2 3.47Å; Y377-H394 AromaticContact CE1-CD2 3.64Å; Y377-H394 AromaticContact CE1-CE1 3.48Å; Y377-H394 VanDerWaalsContact CE1-CE1 3.48Å; Y377-H394 WeakPolarHBondContact CE1-CE1 3.44Å; Y377-H394 AromaticContact CE1-CG 3.9Å; Y377-H394 AromaticContact CE1-ND1 3.85Å; Y377-H394 AromaticContact CE1-NE2 3.34Å; Y377-H394 VanDerWaalsContact CE1-NE2 3.34Å; Y377-H394 WeakPolarHBondContact CE1-NE2 3.41Å; Y377-H394 HydrophobicContact CE2-CB 4.47Å; Y377-H394 AromaticContact CG-CD2 3.89Å; Y377-H394 AromaticContact CG-NE2 3.98Å; Y377-H394 AromaticContact CZ-CD2 3.89Å; Y377-H394 AromaticContact CZ-CG 3.83Å; Y377-H394 PolarHBondContact O-CD2 3.48Å; Y377-H394 VanDerWaalsContact O-CD2 3.28Å
378G84.4Confident85.4Confident77 Ų7767.8 Ų67.879%0.79436%0.362SS*.SBendtrans59.8-149.5179.600000113.8
379E86.5Confident85.4Confident123 Ų12367.3 Ų67.358%0.57538%0.375SS*.SBendtrans-77.8128.6-179.7-61.4-170.9129.400112.1H394 Y395E379-H394 WeakPolarHBondContact O-CA 3.36Å; E379-Y395 HydrophobicContact CB-CD1 3.95Å; E379-Y395 HydrophobicContact CB-CD2 3.57Å; E379-Y395 HydrophobicContact CB-CE1 4.04Å; E379-Y395 HydrophobicContact CB-CE2 3.69Å; E379-Y395 HydrophobicContact CB-CG 3.71Å; E379-Y395 HydrophobicContact CG-CD2 4.39Å; E379-Y395 HydrophobicContact CG-CE2 4.32Å; E379-Y395 WeakPolarHBondContact O-CD1 3.43Å; E379-Y395 PolarHBondContact O-N 2.91Å; E379-Y395 WeakPolarHBondContact OE2-CD2 3.49Å; E379-Y395 VanDerWaalsContact OE2-CE2 3.27Å; E379-Y395 WeakPolarHBondContact OE2-CE2 3.25Å
380M90.1Very high85.3Confident44 Ų4466.2 Ų66.222%0.21737%0.374CS..EExtended strand (participates in β ladder)trans-126.5145-179.2-62-175.677.100111.8Y369 W392 F393 Y395Y369-M380 HydrophobicContact CD2-CE 4.44Å; Y369-M380 HydrophobicContact CG-CE 4.23Å; M380-W392 HydrophobicContact CE-CB 3.85Å; M380-F393 CarbonylContact C-O 3.55Å; M380-F393 VanDerWaalsContact CA-O 3.28Å; M380-F393 WeakPolarHBondContact CA-O 3.01Å; M380-Y395 VanDerWaalsContact C-CE1 3.45Å
381V90.7Very high85.3Confident11 Ų1171.2 Ų71.27%0.06740%0.397CS..EExtended strand (participates in β ladder)trans-113.2134.2176.662.20000110.3W392 F393 Y395 V398 L400 P404 W408V381-W392 WeakPolarHBondContact O-CA 3.44Å; V381-F393 HydrophobicContact CG1-CB 4.12Å; V381-F393 WeakPolarHBondContact CG1-O 3.4Å; V381-F393 PolarHBondContact N-O 2.88Å; V381-F393 PolarHBondContact O-N 3.43Å; V381-Y395 HydrophobicContact CB-CD1 4.2Å; V381-Y395 HydrophobicContact CB-CE1 3.84Å; V381-Y395 HydrophobicContact CG1-CD1 4.43Å; V381-V398 HydrophobicContact CG1-CG2 4.04Å; V381-L400 HydrophobicContact CB-CD1 4.1Å; V381-L400 HydrophobicContact CG1-CD1 3.72Å; V381-L400 HydrophobicContact CG2-CD1 4.33Å; V381-P404 HydrophobicContact CG2-CG 3.86Å; V381-W408 HydrophobicContact CB-CE3 4.33Å; V381-W408 HydrophobicContact CB-CZ3 4.44Å; V381-W408 HydrophobicContact CG1-CD2 4.12Å; V381-W408 HydrophobicContact CG1-CE3 3.85Å; V381-W408 HydrophobicContact CG1-CH2 3.58Å; V381-W408 HydrophobicContact CG1-CZ2 3.88Å; V381-W408 HydrophobicContact CG1-CZ3 3.57Å; V381-W408 HydrophobicContact CG2-CB 4.25Å; V381-W408 HydrophobicContact CG2-CD2 3.7Å; V381-W408 HydrophobicContact CG2-CE3 3.54Å; V381-W408 HydrophobicContact CG2-CG 4.01Å; V381-W408 HydrophobicContact CG2-CZ3 4.11Å
382G90.4Very high85.6Confident28 Ų2872.2 Ų72.229%0.28939%0.394SS..EExtended strand (participates in β ladder)trans-84.9141.3170.200000111.6E391G382-E391 CarbonylContact C-O 3.57Å
383C91.1Very high85.8Confident14 Ų1470.1 Ų70.110%0.09538%0.38CS..  trans-88.5118.9176.9177.60000111.2N385 C388 E391 F393 W408 C410 C413C383-N385 PolarHBondContact O-N 3.01Å; C383-C388 HydrophobicContact CB-CB 4.34Å; C383-E391 WeakPolarHBondContact CB-O 3.27Å; C383-E391 PolarHBondContact N-O 3.37Å; C383-F393 HydrophobicContact CB-CD2 4.46Å; C383-F393 HydrophobicContact CB-CE2 3.96Å; C383-W408 HydrophobicContact CB-CE3 4.33Å; C383-W408 HydrophobicContact CB-CZ3 4Å; C383-C410 HydrophobicContact CB-CB 4.3Å; C383-C410 PolarHBondContact SG-N 3.24Å; C383-C410 VanDerWaalsContact SG-N 3.43Å; C383-C413 VanDerWaalsContact SG-SG 3.63Å
384D89.7Confident86.3Confident69 Ų6965.9 Ų65.937%0.36936%0.357SS..SBendtrans-61.30.7-179.1-85.8-81.1000115.7K407 W408 Y409D384-K407 HydrophobicContact CB-CB 4.41Å; D384-K407 WeakPolarHBondContact OD2-CA 3.46Å; D384-K407 WeakPolarHBondContact OD2-CB 3.27Å; D384-W408 WeakPolarHBondContact CB-O 3.35Å; D384-W408 PolarHBondContact N-O 2.92Å; D384-W408 PolarHBondContact OD2-N 3.07Å; D384-Y409 HydrophobicContact CB-CD1 3.97Å; D384-Y409 HydrophobicContact CB-CE1 3.39Å
385N84.8Confident86.8Confident29 Ų2963.6 Ų63.616%0.15535%0.346CS..  trans-95.1107.2178.5-177.282.9000109.9C383 D387 C388 Y409 C413 M417C383-N385 PolarHBondContact O-N 3.01Å; N385-D387 WeakPolarHBondContact ND2-CA 3.38Å; N385-D387 WeakPolarHBondContact ND2-CB 3.5Å; N385-D387 PolarHBondContact ND2-N 3.43Å; N385-D387 PolarHBondContact O-N 3Å; N385-D387 VanDerWaalsContact O-N 3.11Å; N385-C388 PolarHBondContact ND2-N 3.5Å; N385-C388 WeakPolarHBondContact O-CB 3.46Å; N385-C388 PolarHBondContact O-N 3.24Å; N385-Y409 HydrophobicContact CB-CD1 3.94Å; N385-Y409 HydrophobicContact CB-CE1 4.13Å; N385-C413 HydrophobicContact CB-CB 4.1Å; N385-M417 HydrophobicContact CB-CE 4.1Å; N385-M417 VanDerWaalsContact OD1-CE 3.29Å; N385-M417 WeakPolarHBondContact OD1-CE 3.38Å
386Q81.9Confident86.7Confident181 Ų18165.7 Ų65.785%0.84637%0.373SS*.THydrogen-bonded Turntrans-58.9-22.5-179.2-59.2-73.1-65.100113.7C388Q386-C388 VanDerWaalsContact C-N 3.26Å; Q386-C388 PolarHBondContact O-N 3.03Å
387D81.3Confident86.9Confident123 Ų12364.5 Ų64.566%0.65836%0.364SS*.THydrogen-bonded Turntrans-85.423.3172.5-51.2-39000113N385N385-D387 WeakPolarHBondContact ND2-CA 3.38Å; N385-D387 WeakPolarHBondContact ND2-CB 3.5Å; N385-D387 PolarHBondContact ND2-N 3.43Å; N385-D387 PolarHBondContact O-N 3Å; N385-D387 VanDerWaalsContact O-N 3.11Å
388C84.7Confident87.1Confident7 Ų760.4 Ų60.45%0.04735%0.351CS..  trans-91.7118.1-176.1-170.20000111.6C383 N385 Q386 I390 E391C383-C388 HydrophobicContact CB-CB 4.34Å; N385-C388 PolarHBondContact ND2-N 3.5Å; N385-C388 WeakPolarHBondContact O-CB 3.46Å; N385-C388 PolarHBondContact O-N 3.24Å; Q386-C388 VanDerWaalsContact C-N 3.26Å; Q386-C388 PolarHBondContact O-N 3.03Å; C388-I390 PolarHBondContact O-N 2.96Å; C388-I390 VanDerWaalsContact O-N 3.14Å; C388-E391 WeakPolarHBondContact O-CG 3.44Å
389P81.8Confident87.2Confident114 Ų11460 Ų6074%0.7435%0.347SS*.SBendtrans-76.4-1.7-172.631.8-37.7000115.3
390I83.1Confident87.1Confident47 Ų4755.9 Ų55.924%0.24133%0.329CS..SBendtrans-119.9-27.4-178.2-64.1172.5000111.2C370 C388 W392 F393C370-I390 VanDerWaalsContact N-CG2 3.29Å; C388-I390 PolarHBondContact O-N 2.96Å; C388-I390 VanDerWaalsContact O-N 3.14Å; I390-W392 WeakPolarHBondContact CG2-O 3.43Å; I390-W392 PolarHBondContact O-N 2.88Å; I390-F393 HydrophobicContact CB-CE1 4.22Å; I390-F393 HydrophobicContact CB-CE2 4.4Å; I390-F393 HydrophobicContact CB-CZ 3.74Å; I390-F393 HydrophobicContact CD1-CE1 4.31Å; I390-F393 HydrophobicContact CD1-CZ 4.45Å; I390-F393 HydrophobicContact CG2-CD1 4.4Å; I390-F393 HydrophobicContact CG2-CE1 3.78Å; I390-F393 HydrophobicContact CG2-CE2 4.21Å; I390-F393 HydrophobicContact CG2-CZ 3.67Å
391E88.4Confident86.7Confident108 Ų10859.8 Ų59.851%0.50536%0.355SS..  trans57.2-53.9-177-58-173.5162.300116.4G382 C383 C388G382-E391 CarbonylContact C-O 3.57Å; C383-E391 WeakPolarHBondContact CB-O 3.27Å; C383-E391 PolarHBondContact N-O 3.37Å; C388-E391 WeakPolarHBondContact O-CG 3.44Å
392W90.5Very high86.3Confident118 Ų11865.5 Ų65.545%0.44738%0.381SS..EExtended strand (participates in β ladder)trans-113.2140.9-168.8-61.291.4000113.3Y369 C370 M380 V381 I390Y369-W392 HydrophobicContact CD1-CB 4.01Å; Y369-W392 HydrophobicContact CD1-CG 4.41Å; Y369-W392 HydrophobicContact CG-CB 4.3Å; C370-W392 VanDerWaalsContact CA-O 3.26Å; C370-W392 WeakPolarHBondContact CA-O 3.25Å; C370-W392 PolarHBondContact N-O 3.49Å; M380-W392 HydrophobicContact CE-CB 3.85Å; V381-W392 WeakPolarHBondContact O-CA 3.44Å; I390-W392 WeakPolarHBondContact CG2-O 3.43Å; I390-W392 PolarHBondContact O-N 2.88Å
393F91.3Very high86.1Confident1 Ų167.1 Ų67.10%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-140.5132-175.2-58.8-97.7000112.1C370 I371 M380 V381 C383 I390 V398 W408 C410C370-F393 HydrophobicContact CB-CB 4.43Å; C370-F393 HydrophobicContact CB-CD1 4.35Å; C370-F393 VanDerWaalsContact SG-CA 3.58Å; I371-F393 HydrophobicContact CG2-CD1 4.18Å; I371-F393 HydrophobicContact CG2-CE1 3.84Å; M380-F393 CarbonylContact C-O 3.55Å; M380-F393 VanDerWaalsContact CA-O 3.28Å; M380-F393 WeakPolarHBondContact CA-O 3.01Å; V381-F393 HydrophobicContact CG1-CB 4.12Å; V381-F393 WeakPolarHBondContact CG1-O 3.4Å; V381-F393 PolarHBondContact N-O 2.88Å; V381-F393 PolarHBondContact O-N 3.43Å; C383-F393 HydrophobicContact CB-CD2 4.46Å; C383-F393 HydrophobicContact CB-CE2 3.96Å; I390-F393 HydrophobicContact CB-CE1 4.22Å; I390-F393 HydrophobicContact CB-CE2 4.4Å; I390-F393 HydrophobicContact CB-CZ 3.74Å; I390-F393 HydrophobicContact CD1-CE1 4.31Å; I390-F393 HydrophobicContact CD1-CZ 4.45Å; I390-F393 HydrophobicContact CG2-CD1 4.4Å; I390-F393 HydrophobicContact CG2-CE1 3.78Å; I390-F393 HydrophobicContact CG2-CE2 4.21Å; I390-F393 HydrophobicContact CG2-CZ 3.67Å; F393-V398 HydrophobicContact CB-CG1 3.72Å; F393-V398 HydrophobicContact CB-CG2 4.48Å; F393-V398 HydrophobicContact CD1-CG1 4.05Å; F393-V398 HydrophobicContact CG-CG1 4.12Å; F393-W408 HydrophobicContact CB-CH2 4.14Å; F393-W408 AromaticContact CD2-CH2 3.91Å; F393-W408 HydrophobicContact CD2-CH2 3.91Å; F393-W408 AromaticContact CD2-CZ3 3.82Å; F393-W408 HydrophobicContact CD2-CZ3 3.82Å; F393-W408 HydrophobicContact CE2-CZ3 4.43Å; F393-W408 HydrophobicContact CG-CH2 4.06Å; F393-W408 HydrophobicContact CG-CZ3 4.41Å; F393-C410 HydrophobicContact CD1-CB 4.38Å; F393-C410 HydrophobicContact CD2-CB 3.95Å; F393-C410 HydrophobicContact CE1-CB 3.93Å; F393-C410 HydrophobicContact CE2-CB 3.46Å; F393-C410 VanDerWaalsContact CE2-CB 3.46Å; F393-C410 HydrophobicContact CG-CB 4.42Å; F393-C410 HydrophobicContact CZ-CB 3.45Å; F393-C410 VanDerWaalsContact CZ-CB 3.45Å
394H91.4Very high85.7Confident4 Ų468.5 Ų68.52%0.01940%0.401CS..EExtended strand (participates in β ladder)trans-66.4138.6173.9-41.597.1000111C370 C372 V375 Y377 E379 G396 C397 V398C370-H394 WeakPolarHBondContact CB-ND1 3.45Å; C370-H394 PolarHBondContact SG-N 3.21Å; C370-H394 VanDerWaalsContact SG-N 3.43Å; C372-H394 PolarHBondContact SG-CE1 3.43Å; C372-H394 PolarHBondContact SG-ND1 3.05Å; V375-H394 PolarHBondContact O-CE1 3.36Å; V375-H394 PolarHBondContact O-NE2 3.35Å; Y377-H394 AromaticContact CD1-CD2 3.65Å; Y377-H394 AromaticContact CD1-CE1 3.92Å; Y377-H394 AromaticContact CD1-NE2 3.31Å; Y377-H394 VanDerWaalsContact CD1-NE2 3.31Å; Y377-H394 WeakPolarHBondContact CD1-NE2 3.47Å; Y377-H394 AromaticContact CE1-CD2 3.64Å; Y377-H394 AromaticContact CE1-CE1 3.48Å; Y377-H394 VanDerWaalsContact CE1-CE1 3.48Å; Y377-H394 WeakPolarHBondContact CE1-CE1 3.44Å; Y377-H394 AromaticContact CE1-CG 3.9Å; Y377-H394 AromaticContact CE1-ND1 3.85Å; Y377-H394 AromaticContact CE1-NE2 3.34Å; Y377-H394 VanDerWaalsContact CE1-NE2 3.34Å; Y377-H394 WeakPolarHBondContact CE1-NE2 3.41Å; Y377-H394 HydrophobicContact CE2-CB 4.47Å; Y377-H394 AromaticContact CG-CD2 3.89Å; Y377-H394 AromaticContact CG-NE2 3.98Å; Y377-H394 AromaticContact CZ-CD2 3.89Å; Y377-H394 AromaticContact CZ-CG 3.83Å; Y377-H394 PolarHBondContact O-CD2 3.48Å; Y377-H394 VanDerWaalsContact O-CD2 3.28Å; E379-H394 WeakPolarHBondContact O-CA 3.36Å; H394-G396 PolarHBondContact O-N 3.07Å; H394-C397 HydrophobicContact CB-CB 4.32Å; H394-C397 WeakPolarHBondContact O-CB 3.47Å; H394-C397 PolarHBondContact O-N 3.27Å; H394-V398 PolarHBondContact O-N 2.62Å
395Y89.9Confident85.1Confident27 Ų2774.7 Ų74.711%0.10642%0.424CS..Hα-helixtrans-52.9-50.6-174.7-83.823.4000112.7E379 M380 V381 C397 V398 G399 L400 A403E379-Y395 HydrophobicContact CB-CD1 3.95Å; E379-Y395 HydrophobicContact CB-CD2 3.57Å; E379-Y395 HydrophobicContact CB-CE1 4.04Å; E379-Y395 HydrophobicContact CB-CE2 3.69Å; E379-Y395 HydrophobicContact CB-CG 3.71Å; E379-Y395 HydrophobicContact CG-CD2 4.39Å; E379-Y395 HydrophobicContact CG-CE2 4.32Å; E379-Y395 WeakPolarHBondContact O-CD1 3.43Å; E379-Y395 PolarHBondContact O-N 2.91Å; E379-Y395 WeakPolarHBondContact OE2-CD2 3.49Å; E379-Y395 VanDerWaalsContact OE2-CE2 3.27Å; E379-Y395 WeakPolarHBondContact OE2-CE2 3.25Å; M380-Y395 VanDerWaalsContact C-CE1 3.45Å; V381-Y395 HydrophobicContact CB-CD1 4.2Å; V381-Y395 HydrophobicContact CB-CE1 3.84Å; V381-Y395 HydrophobicContact CG1-CD1 4.43Å; Y395-C397 VanDerWaalsContact C-N 3.28Å; Y395-C397 PolarHBondContact O-N 2.95Å; Y395-V398 CarbonylContact O-C 3.59Å; Y395-V398 WeakPolarHBondContact O-CG2 3.38Å; Y395-V398 PolarHBondContact O-N 2.91Å; Y395-V398 VanDerWaalsContact O-N 3.07Å; Y395-G399 PolarHBondContact O-N 3.48Å; Y395-L400 CarbonylContact C-O 3.45Å; Y395-L400 HydrophobicContact CD1-CB 4.42Å; Y395-L400 HydrophobicContact CD1-CD1 4.37Å; Y395-L400 HydrophobicContact CD2-CB 4.27Å; Y395-L400 HydrophobicContact CG-CB 3.98Å; Y395-L400 PolarHBondContact O-N 2.97Å; Y395-A403 WeakPolarHBondContact OH-CA 3.46Å; Y395-A403 WeakPolarHBondContact OH-CB 3.13Å
396G84.7Confident85.1Confident72 Ų7276.2 Ų76.274%0.74245%0.447SS*.Hα-helixtrans-61.7-30.7178.700000114.2H394 V398H394-G396 PolarHBondContact O-N 3.07Å; G396-V398 VanDerWaalsContact C-N 3.29Å; G396-V398 PolarHBondContact O-N 2.75Å
397C86.6Confident85.3Confident40 Ų4075.1 Ų75.127%0.2744%0.439SS..Hα-helixtrans-75.6-15.1177-670000113.7C370 I371 H394 Y395C370-C397 WeakPolarHBondContact SG-CB 3.37Å; I371-C397 WeakPolarHBondContact CD1-O 3.32Å; I371-C397 HydrophobicContact CG1-CB 4.41Å; H394-C397 HydrophobicContact CB-CB 4.32Å; H394-C397 WeakPolarHBondContact O-CB 3.47Å; H394-C397 PolarHBondContact O-N 3.27Å; Y395-C397 VanDerWaalsContact C-N 3.28Å; Y395-C397 PolarHBondContact O-N 2.95Å
398V85.7Confident85.7Confident31 Ų3171 Ų7119%0.18842%0.415CS..Hα-helixtrans-117.57.4176.5-63.70000113.8V381 F393 H394 Y395 G396 L400 W408V381-V398 HydrophobicContact CG1-CG2 4.04Å; F393-V398 HydrophobicContact CB-CG1 3.72Å; F393-V398 HydrophobicContact CB-CG2 4.48Å; F393-V398 HydrophobicContact CD1-CG1 4.05Å; F393-V398 HydrophobicContact CG-CG1 4.12Å; H394-V398 PolarHBondContact O-N 2.62Å; Y395-V398 CarbonylContact O-C 3.59Å; Y395-V398 WeakPolarHBondContact O-CG2 3.38Å; Y395-V398 PolarHBondContact O-N 2.91Å; Y395-V398 VanDerWaalsContact O-N 3.07Å; G396-V398 VanDerWaalsContact C-N 3.29Å; G396-V398 PolarHBondContact O-N 2.75Å; V398-L400 HydrophobicContact CG2-CB 4.37Å; V398-L400 HydrophobicContact CG2-CD1 3.83Å; V398-L400 HydrophobicContact CG2-CG 3.94Å; V398-W408 HydrophobicContact CB-CH2 4.35Å; V398-W408 HydrophobicContact CB-CZ2 3.92Å; V398-W408 HydrophobicContact CG1-CH2 4.06Å; V398-W408 HydrophobicContact CG1-CZ2 4.11Å; V398-W408 HydrophobicContact CG2-CH2 4.23Å; V398-W408 HydrophobicContact CG2-CZ2 3.8Å
399G85.8Confident85.9Confident69 Ų6974 Ų7471%0.71143%0.425SS*.THydrogen-bonded Turntrans72.424.8178.100000114.4Y395Y395-G399 PolarHBondContact O-N 3.48Å
400L84.5Confident86.3Confident36 Ų3668.6 Ų68.619%0.18839%0.39CS..  trans-91.5150.9169.6-67.3173.3000110.4V381 Y395 V398 P404 W408V381-L400 HydrophobicContact CB-CD1 4.1Å; V381-L400 HydrophobicContact CG1-CD1 3.72Å; V381-L400 HydrophobicContact CG2-CD1 4.33Å; Y395-L400 CarbonylContact C-O 3.45Å; Y395-L400 HydrophobicContact CD1-CB 4.42Å; Y395-L400 HydrophobicContact CD1-CD1 4.37Å; Y395-L400 HydrophobicContact CD2-CB 4.27Å; Y395-L400 HydrophobicContact CG-CB 3.98Å; Y395-L400 PolarHBondContact O-N 2.97Å; V398-L400 HydrophobicContact CG2-CB 4.37Å; V398-L400 HydrophobicContact CG2-CD1 3.83Å; V398-L400 HydrophobicContact CG2-CG 3.94Å; L400-P404 HydrophobicContact CD1-CG 4.22Å; L400-W408 HydrophobicContact CD1-CZ2 4.44Å
401T82Confident86.5Confident126 Ų12669.7 Ų69.777%0.77340%0.401SS*.SBendtrans-131.4-3.4172.860.50000112.9
402E83.7Confident86.3Confident131 Ų13170 Ų7061%0.61240%0.402SS*.SBendtrans-150.1158.3177.5-71.4-173.2-167.200108.5
403A85.6Confident86.2Confident62 Ų6264.9 Ų64.951%0.51238%0.384SS..  trans-60.5124.3175.500000112.1Y395 K405Y395-A403 WeakPolarHBondContact OH-CA 3.46Å; Y395-A403 WeakPolarHBondContact OH-CB 3.13Å; A403-K405 PolarHBondContact O-N 3.18Å
404P82Confident86Confident43 Ų4368.1 Ų68.128%0.27940%0.404SS..  trans-68.2130.6-178.226.1-32.3000111.3V381 L400 G406 W408V381-P404 HydrophobicContact CG2-CG 3.86Å; L400-P404 HydrophobicContact CD1-CG 4.22Å; P404-G406 PolarHBondContact O-N 2.9Å; P404-G406 VanDerWaalsContact O-N 3.12Å; P404-W408 HydrophobicContact CB-CB 4.17Å; P404-W408 HydrophobicContact CB-CG 4.3Å; P404-W408 HydrophobicContact CG-CB 3.77Å; P404-W408 HydrophobicContact CG-CG 3.88Å
405K77.8Confident85.7Confident199 Ų19971.1 Ų71.187%0.86542%0.423SS*.SBendtrans-82.891.6-175.5-71.3166.8-176.71540110.9A403A403-K405 PolarHBondContact O-N 3.18Å
406G85.1Confident85.3Confident61 Ų6172 Ų7263%0.62944%0.436SS*.SBendtrans114.1-155.9-179.700000111.7P404P404-G406 PolarHBondContact O-N 2.9Å; P404-G406 VanDerWaalsContact O-N 3.12Å
407K86.1Confident85.2Confident158 Ų15872 Ų7269%0.68742%0.417SS*.  trans-71.5133.8-175.5-65-166175.7-166.60112.5D384 Y409D384-K407 HydrophobicContact CB-CB 4.41Å; D384-K407 WeakPolarHBondContact OD2-CA 3.46Å; D384-K407 WeakPolarHBondContact OD2-CB 3.27Å; K407-Y409 HydrophobicContact CB-CE2 4.24Å
408W90.1Very high84.8Confident37 Ų3778.2 Ų78.214%0.1444%0.44CS..  trans-125140.3179.8-176.891000112.1V381 C383 D384 F393 V398 L400 P404 C410V381-W408 HydrophobicContact CB-CE3 4.33Å; V381-W408 HydrophobicContact CB-CZ3 4.44Å; V381-W408 HydrophobicContact CG1-CD2 4.12Å; V381-W408 HydrophobicContact CG1-CE3 3.85Å; V381-W408 HydrophobicContact CG1-CH2 3.58Å; V381-W408 HydrophobicContact CG1-CZ2 3.88Å; V381-W408 HydrophobicContact CG1-CZ3 3.57Å; V381-W408 HydrophobicContact CG2-CB 4.25Å; V381-W408 HydrophobicContact CG2-CD2 3.7Å; V381-W408 HydrophobicContact CG2-CE3 3.54Å; V381-W408 HydrophobicContact CG2-CG 4.01Å; V381-W408 HydrophobicContact CG2-CZ3 4.11Å; C383-W408 HydrophobicContact CB-CE3 4.33Å; C383-W408 HydrophobicContact CB-CZ3 4Å; D384-W408 WeakPolarHBondContact CB-O 3.35Å; D384-W408 PolarHBondContact N-O 2.92Å; D384-W408 PolarHBondContact OD2-N 3.07Å; F393-W408 HydrophobicContact CB-CH2 4.14Å; F393-W408 AromaticContact CD2-CH2 3.91Å; F393-W408 HydrophobicContact CD2-CH2 3.91Å; F393-W408 AromaticContact CD2-CZ3 3.82Å; F393-W408 HydrophobicContact CD2-CZ3 3.82Å; F393-W408 HydrophobicContact CE2-CZ3 4.43Å; F393-W408 HydrophobicContact CG-CH2 4.06Å; F393-W408 HydrophobicContact CG-CZ3 4.41Å; V398-W408 HydrophobicContact CB-CH2 4.35Å; V398-W408 HydrophobicContact CB-CZ2 3.92Å; V398-W408 HydrophobicContact CG1-CH2 4.06Å; V398-W408 HydrophobicContact CG1-CZ2 4.11Å; V398-W408 HydrophobicContact CG2-CH2 4.23Å; V398-W408 HydrophobicContact CG2-CZ2 3.8Å; L400-W408 HydrophobicContact CD1-CZ2 4.44Å; P404-W408 HydrophobicContact CB-CB 4.17Å; P404-W408 HydrophobicContact CB-CG 4.3Å; P404-W408 HydrophobicContact CG-CB 3.77Å; P404-W408 HydrophobicContact CG-CG 3.88Å; W408-C410 VanDerWaalsContact CH2-CA 3.44Å; W408-C410 HydrophobicContact CH2-CB 3.61Å; W408-C410 HydrophobicContact CZ2-CB 4.48Å; W408-C410 HydrophobicContact CZ3-CB 3.81Å
409Y88.8Confident84.4Confident69 Ų6985.7 Ų85.727%0.27147%0.465SS..  trans-131.6126.8-176.7-62.6-68.9000110.6D384 N385 K407 T414 M417D384-Y409 HydrophobicContact CB-CD1 3.97Å; D384-Y409 HydrophobicContact CB-CE1 3.39Å; N385-Y409 HydrophobicContact CB-CD1 3.94Å; N385-Y409 HydrophobicContact CB-CE1 4.13Å; K407-Y409 HydrophobicContact CB-CE2 4.24Å; Y409-T414 WeakPolarHBondContact CB-OG1 3.46Å; Y409-T414 PolarHBondContact O-OG1 3.36Å; Y409-M417 HydrophobicContact CD1-CE 3.81Å; Y409-M417 HydrophobicContact CD1-SD 4.36Å; Y409-M417 HydrophobicContact CD2-SD 4.42Å; Y409-M417 HydrophobicContact CE1-CE 3.65Å; Y409-M417 HydrophobicContact CE1-SD 4.42Å; Y409-M417 HydrophobicContact CE2-SD 4.49Å; Y409-M417 HydrophobicContact CG-CE 4.38Å; Y409-M417 HydrophobicContact CG-SD 4.36Å
410C89.6Confident83.7Confident1 Ų191 Ų911%0.00746%0.463CS..  trans-61160.7-179.180.40000112.2C383 F393 W408 Q412 C413 T414C383-C410 HydrophobicContact CB-CB 4.3Å; C383-C410 PolarHBondContact SG-N 3.24Å; C383-C410 VanDerWaalsContact SG-N 3.43Å; F393-C410 HydrophobicContact CD1-CB 4.38Å; F393-C410 HydrophobicContact CD2-CB 3.95Å; F393-C410 HydrophobicContact CE1-CB 3.93Å; F393-C410 HydrophobicContact CE2-CB 3.46Å; F393-C410 VanDerWaalsContact CE2-CB 3.46Å; F393-C410 HydrophobicContact CG-CB 4.42Å; F393-C410 HydrophobicContact CZ-CB 3.45Å; F393-C410 VanDerWaalsContact CZ-CB 3.45Å; W408-C410 VanDerWaalsContact CH2-CA 3.44Å; W408-C410 HydrophobicContact CH2-CB 3.61Å; W408-C410 HydrophobicContact CZ2-CB 4.48Å; W408-C410 HydrophobicContact CZ3-CB 3.81Å; C410-Q412 PolarHBondContact O-N 3.27Å; C410-Q412 VanDerWaalsContact O-N 3.07Å; C410-C413 PolarHBondContact O-N 3.19Å; C410-T414 WeakPolarHBondContact O-CB 3.28Å; C410-T414 PolarHBondContact O-N 2.98Å; C410-T414 PolarHBondContact O-OG1 2.86Å
411P86.1Confident82.7Confident71 Ų7191.9 Ų91.946%0.46148%0.481SS..Hα-helixtrans-54.8-33.1-175.1-28.936.2000114.5T415P411-T415 WeakPolarHBondContact O-CB 3.39Å; P411-T415 PolarHBondContact O-N 3.44Å; P411-T415 VanDerWaalsContact O-N 3.11Å; P411-T415 PolarHBondContact O-OG1 3.1Å
412Q85.3Confident81.5Confident114 Ų11490.5 Ų90.553%0.53348%0.476SS..Hα-helixtrans-70.3-50176-60.3-168.214.600111.8C410 T415 A416C410-Q412 PolarHBondContact O-N 3.27Å; C410-Q412 VanDerWaalsContact O-N 3.07Å; Q412-T415 PolarHBondContact O-N 2.82Å; Q412-A416 PolarHBondContact O-N 3.5Å
413C88Confident80.2Confident11 Ų1194.7 Ų94.77%0.07449%0.486CS..Hα-helixtrans-61.1-46178.3-68.60000111.7C383 N385 C410 T415 A416 M417C383-C413 VanDerWaalsContact SG-SG 3.63Å; N385-C413 HydrophobicContact CB-CB 4.1Å; C410-C413 PolarHBondContact O-N 3.19Å; C413-T415 VanDerWaalsContact C-N 3.31Å; C413-T415 PolarHBondContact O-N 3.35Å; C413-A416 PolarHBondContact O-N 3.19Å; C413-A416 VanDerWaalsContact O-N 3.15Å; C413-M417 WeakPolarHBondContact O-CG 3.45Å; C413-M417 PolarHBondContact O-N 3.04Å
414T86.6Confident78.6Confident68 Ų68100.4 Ų100.442%0.41750%0.502SS..Hα-helixtrans-57.8-41.9174.7-67.30000111.8Y409 C410 K418Y409-T414 WeakPolarHBondContact CB-OG1 3.46Å; Y409-T414 PolarHBondContact O-OG1 3.36Å; C410-T414 WeakPolarHBondContact O-CB 3.28Å; C410-T414 PolarHBondContact O-N 2.98Å; C410-T414 PolarHBondContact O-OG1 2.86Å; T414-K418 WeakPolarHBondContact O-CB 3.37Å; T414-K418 PolarHBondContact O-N 3.04Å
415T85.2Confident76.6Confident68 Ų68110.7 Ų110.742%0.41754%0.543SS..Hα-helixtrans-67.1-41.1175.6-610000112.2P411 Q412 C413 K418 R419P411-T415 WeakPolarHBondContact O-CB 3.39Å; P411-T415 PolarHBondContact O-N 3.44Å; P411-T415 VanDerWaalsContact O-N 3.11Å; P411-T415 PolarHBondContact O-OG1 3.1Å; Q412-T415 PolarHBondContact O-N 2.82Å; C413-T415 VanDerWaalsContact C-N 3.31Å; C413-T415 PolarHBondContact O-N 3.35Å; T415-K418 PolarHBondContact O-N 2.89Å; T415-R419 WeakPolarHBondContact O-CG 3.38Å; T415-R419 PolarHBondContact O-N 2.98Å
416A83.1Confident76.6Confident45 Ų45106.3 Ų106.337%0.37253%0.526SS..Hα-helixtrans-64.4-44.8177.900000112Q412 C413 R419 R420Q412-A416 PolarHBondContact O-N 3.5Å; C413-A416 PolarHBondContact O-N 3.19Å; C413-A416 VanDerWaalsContact O-N 3.15Å; A416-R419 PolarHBondContact O-N 2.92Å; A416-R420 PolarHBondContact O-N 3.1Å
417M81.8Confident76.1Confident72 Ų72108.7 Ų108.736%0.35552%0.521SS..Hα-helixtrans-61.5-45.1175.3-69.5-177.9-178.100111.6N385 Y409 C413 R419 R420 G421N385-M417 HydrophobicContact CB-CE 4.1Å; N385-M417 VanDerWaalsContact OD1-CE 3.29Å; N385-M417 WeakPolarHBondContact OD1-CE 3.38Å; Y409-M417 HydrophobicContact CD1-CE 3.81Å; Y409-M417 HydrophobicContact CD1-SD 4.36Å; Y409-M417 HydrophobicContact CD2-SD 4.42Å; Y409-M417 HydrophobicContact CE1-CE 3.65Å; Y409-M417 HydrophobicContact CE1-SD 4.42Å; Y409-M417 HydrophobicContact CE2-SD 4.49Å; Y409-M417 HydrophobicContact CG-CE 4.38Å; Y409-M417 HydrophobicContact CG-SD 4.36Å; C413-M417 WeakPolarHBondContact O-CG 3.45Å; C413-M417 PolarHBondContact O-N 3.04Å; M417-R419 VanDerWaalsContact C-N 3.32Å; M417-R419 PolarHBondContact O-N 2.81Å; M417-R420 PolarHBondContact O-N 3.4Å; M417-R420 VanDerWaalsContact O-N 3.15Å; M417-G421 PolarHBondContact O-N 3Å
418K79.2Confident75.6Confident170 Ų170105.9 Ų105.974%0.73951%0.512SS*.Hα-helixtrans-59.9-39.1176.8-169.6172.2-1771760112.6T414 T415 S422T414-K418 WeakPolarHBondContact O-CB 3.37Å; T414-K418 PolarHBondContact O-N 3.04Å; T415-K418 PolarHBondContact O-N 2.89Å; K418-S422 PolarHBondContact O-N 3.42Å
419R75.9Confident74.7Confident189 Ų189110 Ų11071%0.71353%0.534SS*.Hα-helixtrans-67.7-38.3174.2-72.1178.2-175.7175.83113T415 A416 M417T415-R419 WeakPolarHBondContact O-CG 3.38Å; T415-R419 PolarHBondContact O-N 2.98Å; A416-R419 PolarHBondContact O-N 2.92Å; M417-R419 VanDerWaalsContact C-N 3.32Å; M417-R419 PolarHBondContact O-N 2.81Å
420R70.4Confident73.9Confident181 Ų181112.6 Ų112.668%0.68355%0.55SS**Hα-helixtrans-65.4-46.9175.3-72.1-179.8179.7177.21.8111.1A416 M417 S422 R423A416-R420 PolarHBondContact O-N 3.1Å; M417-R420 PolarHBondContact O-N 3.4Å; M417-R420 VanDerWaalsContact O-N 3.15Å; R420-S422 VanDerWaalsContact C-N 3.32Å; R420-S422 PolarHBondContact O-N 2.95Å; R420-R423 PolarHBondContact O-N 3.47Å; R420-R423 VanDerWaalsContact O-N 3.12Å
421G63.6Low72.8Confident54 Ų54120 Ų12056%0.55759%0.586SS**Hα-helixtrans-61.8-33.8178.800000114.3M417 R423M417-G421 PolarHBondContact O-N 3Å; G421-R423 PolarHBondContact O-N 3.49Å
422S57.7Low71.9Confident97 Ų97123.5 Ų123.568%0.67860%0.595SS**THydrogen-bonded Turntrans-73.5-2.5176.9-167.10000114.6K418 R420K418-S422 PolarHBondContact O-N 3.42Å; R420-S422 VanDerWaalsContact C-N 3.32Å; R420-S422 PolarHBondContact O-N 2.95Å
423R55.6Low70.8Confident218 Ų218124.2 Ų124.282%0.82360%0.6SS**THydrogen-bonded Turntrans-108.616.6-177.2-151.6176.8-175.2173.61.5113R420 G421R420-R423 PolarHBondContact O-N 3.47Å; R420-R423 VanDerWaalsContact O-N 3.12Å; G421-R423 PolarHBondContact O-N 3.49Å
424H52.3Low69.4Low183 Ų183133.7 Ų133.785%0.84764%0.644SS**  trans-137.131.7-178.7-94.436.5000111.6
425K41.4Very low67.8Low259 Ų259139.6 Ų139.6100%1.12667%0.665SS**  trans-143.20175.6-171.9174.5-178-179.70109.9

Retrieved 425 of 425 residues in 809.5 ms (Link to these results)

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