A0A087XIC7_POEFO Loading...

Metal transporter

Metal transporter.

AlphaFold DB , UniProt , Accession A0A087XIC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 594 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
1M52.8Low72.9Confident122 Ų12278.3 Ų78.360%0.60143%0.428SS*.  0-560-158.3171.4-90.300112.4L3 Q4 I5 Y125M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.23Å; M1-Q4 CarbonylContact O-C 3.55Å; M1-Q4 WeakPolarHBondContact O-CA 3.46Å; M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.38Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 3.18Å; M1-Y125 HydrophobicContact SD-CD2 4.07Å; M1-Y125 HydrophobicContact SD-CE2 4.46Å
2E65.6Low73.7Confident119 Ų11983.5 Ų83.556%0.55645%0.447SS*.Hα-helixtrans-54.6-43.5174.6-69.8-176.616400113.5Q4 I5 V6E2-Q4 PolarHBondContact O-N 3.25Å; E2-I5 PolarHBondContact O-N 2.97Å; E2-V6 WeakPolarHBondContact O-CG2 3.36Å; E2-V6 PolarHBondContact O-N 3.09Å
3L71.9Confident74.5Confident29 Ų2990.7 Ų90.715%0.15246%0.464CS..Hα-helixtrans-62-32.1174.3-135.593.7000112.6M1 Q7 A18 I21 E22 L85M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.23Å; L3-Q7 VanDerWaalsContact O-CG 3.31Å; L3-Q7 WeakPolarHBondContact O-CG 3.15Å; L3-Q7 PolarHBondContact O-N 2.91Å; L3-A18 HydrophobicContact CD2-CB 4.23Å; L3-A18 VanDerWaalsContact CD2-O 3.27Å; L3-A18 WeakPolarHBondContact CD2-O 3.35Å; L3-A18 HydrophobicContact CG-CB 4.07Å; L3-I21 HydrophobicContact CD2-CB 4.15Å; L3-I21 HydrophobicContact CD2-CG2 4.16Å; L3-E22 HydrophobicContact CD2-CB 4.18Å; L3-L85 HydrophobicContact CD1-CD1 3.92Å
4Q71.8Confident75.2Confident85 Ų8590.1 Ų90.140%0.39746%0.458SS..Hα-helixtrans-76.2-35.5177.2-69.7170.5-31.100111.5M1 E2 V6 Q7 N8M1-Q4 CarbonylContact O-C 3.55Å; M1-Q4 WeakPolarHBondContact O-CA 3.46Å; M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.38Å; E2-Q4 PolarHBondContact O-N 3.25Å; Q4-V6 VanDerWaalsContact C-N 3.32Å; Q4-Q7 PolarHBondContact O-N 3Å; Q4-N8 PolarHBondContact O-N 3.28Å; Q4-N8 PolarHBondContact O-ND2 2.86Å
5I73.9Confident75.9Confident89 Ų8988.3 Ų88.346%0.45645%0.446SS..Hα-helixtrans-61-45.6170.9-63.8168.1000109.1M1 E2 Q7 N8 C9M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 3.18Å; E2-I5 PolarHBondContact O-N 2.97Å; I5-Q7 PolarHBondContact O-N 3.45Å; I5-N8 PolarHBondContact O-N 3.24Å; I5-C9 WeakPolarHBondContact O-CB 3.45Å; I5-C9 PolarHBondContact O-N 3.1Å
6V77.9Confident76.5Confident47 Ų4788.1 Ų88.129%0.28545%0.447SS..Hα-helixtrans-65.7-35.6175.7177.60000112.2E2 Q4 N8 G10 E14 A18 L85E2-V6 WeakPolarHBondContact O-CG2 3.36Å; E2-V6 PolarHBondContact O-N 3.09Å; Q4-V6 VanDerWaalsContact C-N 3.32Å; V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 2.92Å; V6-G10 VanDerWaalsContact O-CA 3.3Å; V6-G10 WeakPolarHBondContact O-CA 3.3Å; V6-G10 PolarHBondContact O-N 3.07Å; V6-E14 HydrophobicContact CG1-CB 4.02Å; V6-A18 HydrophobicContact CG1-CB 4.32Å; V6-L85 HydrophobicContact CG1-CD2 3.76Å
7Q77.3Confident77.2Confident37 Ų3785.1 Ų85.117%0.17343%0.429CS..Hα-helixtrans-63.5-32.9172.7-78.6-179.410.800113.3L3 Q4 I5 K15 A18 E22L3-Q7 VanDerWaalsContact O-CG 3.31Å; L3-Q7 WeakPolarHBondContact O-CG 3.15Å; L3-Q7 PolarHBondContact O-N 2.91Å; Q4-Q7 PolarHBondContact O-N 3Å; I5-Q7 PolarHBondContact O-N 3.45Å; Q7-K15 VanDerWaalsContact O-CD 3.3Å; Q7-K15 WeakPolarHBondContact O-CD 3.42Å; Q7-K15 WeakPolarHBondContact O-CG 3.36Å; Q7-A18 HydrophobicContact CG-CB 3.46Å; Q7-A18 VanDerWaalsContact CG-CB 3.46Å; Q7-A18 PolarHBondContact NE2-O 3.5Å; Q7-E22 VanDerWaalsContact NE2-CD 3.31Å; Q7-E22 PolarHBondContact NE2-OE2 2.96Å; Q7-E22 PolarHBondContact OE1-OE2 2.9Å
8N75.8Confident77.6Confident124 Ų12480.3 Ų80.366%0.66341%0.405SS*.Hα-helixtrans-89.3-39.6-177.5-68.8-20.9000112.3Q4 I5 V6Q4-N8 PolarHBondContact O-N 3.28Å; Q4-N8 PolarHBondContact O-ND2 2.86Å; I5-N8 PolarHBondContact O-N 3.24Å; V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 2.92Å
9C72.9Confident78.1Confident106 Ų10684 Ų8472%0.71642%0.418SS*.Hα-helixtrans-111.5-13.1-169.7-60.10000114.8I5I5-C9 WeakPolarHBondContact O-CB 3.45Å; I5-C9 PolarHBondContact O-N 3.1Å
10G79Confident78.4Confident18 Ų1884.6 Ų84.619%0.18642%0.418CS..SBendtrans-73.5176.4-177.500000114.1V6 K15V6-G10 VanDerWaalsContact O-CA 3.3Å; V6-G10 WeakPolarHBondContact O-CA 3.3Å; V6-G10 PolarHBondContact O-N 3.07Å; G10-K15 WeakPolarHBondContact O-CE 3.15Å
11T82.8Confident78.8Confident85 Ų8581.7 Ų81.752%0.52140%0.404SS..  trans-66.8156.2172.360.60000111.5R13 E14 K15T11-R13 PolarHBondContact O-N 2.82Å; T11-E14 WeakPolarHBondContact CB-OE2 3.21Å; T11-E14 PolarHBondContact N-OE2 3.23Å; T11-E14 WeakPolarHBondContact O-CA 3.42Å; T11-E14 WeakPolarHBondContact O-CB 3.41Å; T11-E14 PolarHBondContact O-N 3.08Å; T11-E14 VanDerWaalsContact OG1-CG 3.25Å; T11-E14 WeakPolarHBondContact OG1-CG 3.46Å; T11-E14 PolarHBondContact OG1-OE2 3.09Å; T11-K15 WeakPolarHBondContact O-CG 3.42Å; T11-K15 PolarHBondContact O-N 3.18Å
12E83.3Confident80.4Confident141 Ų14179 Ų7966%0.65939%0.39SS*.Hα-helixtrans-52.3-32.6-178.4-72.6-59123.700113.8K15 N16E12-K15 IonicContact OE1-NZ 2.72Å; E12-K15 PolarHBondContact OE1-NZ 3.32Å; E12-N16 PolarHBondContact O-N 3.16Å
13R84.1Confident81.2Confident177 Ų17776.8 Ų76.867%0.66839%0.385SS*.Hα-helixtrans-70.3-45.6174.4-65.3-176.467.3171.7-0.4112T11 N16 Y17T11-R13 PolarHBondContact O-N 2.82Å; R13-N16 PolarHBondContact O-N 3.49Å; R13-Y17 HydrophobicContact CB-CE2 4.32Å; R13-Y17 PolarHBondContact NH2-OH 2.97Å; R13-Y17 WeakPolarHBondContact O-CD2 3.39Å; R13-Y17 VanDerWaalsContact O-CG 3.26Å; R13-Y17 PolarHBondContact O-N 3.01Å
14E83.9Confident81.8Confident82 Ų8275.8 Ų75.838%0.38338%0.381SS..Hα-helixtrans-65.6-39.8178.2-70.2166.4150.700111.9V6 T11 N16 Y17 A18 L85V6-E14 HydrophobicContact CG1-CB 4.02Å; T11-E14 WeakPolarHBondContact CB-OE2 3.21Å; T11-E14 PolarHBondContact N-OE2 3.23Å; T11-E14 WeakPolarHBondContact O-CA 3.42Å; T11-E14 WeakPolarHBondContact O-CB 3.41Å; T11-E14 PolarHBondContact O-N 3.08Å; T11-E14 VanDerWaalsContact OG1-CG 3.25Å; T11-E14 WeakPolarHBondContact OG1-CG 3.46Å; T11-E14 PolarHBondContact OG1-OE2 3.09Å; E14-N16 VanDerWaalsContact C-N 3.34Å; E14-N16 PolarHBondContact O-N 3.3Å; E14-Y17 PolarHBondContact O-N 3.45Å; E14-A18 VanDerWaalsContact O-CB 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.34Å; E14-A18 PolarHBondContact O-N 3.48Å; E14-L85 HydrophobicContact CB-CD2 3.87Å; E14-L85 HydrophobicContact CG-CD2 4.11Å
15K85.4Confident82.4Confident64 Ų6478.7 Ų78.728%0.27839%0.388SS..Hα-helixtrans-57.4-47.5173.7-64.3-173.7-178.9158.60111.5Q7 G10 T11 E12 A18 K19Q7-K15 VanDerWaalsContact O-CD 3.3Å; Q7-K15 WeakPolarHBondContact O-CD 3.42Å; Q7-K15 WeakPolarHBondContact O-CG 3.36Å; G10-K15 WeakPolarHBondContact O-CE 3.15Å; T11-K15 WeakPolarHBondContact O-CG 3.42Å; T11-K15 PolarHBondContact O-N 3.18Å; E12-K15 IonicContact OE1-NZ 2.72Å; E12-K15 PolarHBondContact OE1-NZ 3.32Å; K15-A18 PolarHBondContact O-N 2.83Å; K15-K19 WeakPolarHBondContact O-CB 3.45Å; K15-K19 PolarHBondContact O-N 2.83Å
16N85.4Confident82.6Confident85 Ų8578.9 Ų78.946%0.45540%0.397SS..Hα-helixtrans-65.5-40.2179.1-165.511.8000111.8E12 R13 E14 K19 K20E12-N16 PolarHBondContact O-N 3.16Å; R13-N16 PolarHBondContact O-N 3.49Å; E14-N16 VanDerWaalsContact C-N 3.34Å; E14-N16 PolarHBondContact O-N 3.3Å; N16-K19 PolarHBondContact O-N 3.17Å; N16-K20 WeakPolarHBondContact O-CG 3.38Å; N16-K20 PolarHBondContact O-N 2.96Å; N16-K20 VanDerWaalsContact O-N 3.14Å
17Y88Confident82.8Confident36 Ų3681.6 Ų81.614%0.14141%0.407CS..Hα-helixtrans-63.3-47.1174.3-67.9-33.2000112.3R13 E14 K19 K20 I21 A86 A89R13-Y17 HydrophobicContact CB-CE2 4.32Å; R13-Y17 PolarHBondContact NH2-OH 2.97Å; R13-Y17 WeakPolarHBondContact O-CD2 3.39Å; R13-Y17 VanDerWaalsContact O-CG 3.26Å; R13-Y17 PolarHBondContact O-N 3.01Å; E14-Y17 PolarHBondContact O-N 3.45Å; Y17-K19 VanDerWaalsContact C-N 3.33Å; Y17-K19 PolarHBondContact O-N 3.45Å; Y17-K20 PolarHBondContact O-N 3.04Å; Y17-I21 WeakPolarHBondContact O-CD1 3.39Å; Y17-I21 VanDerWaalsContact O-CG1 3.31Å; Y17-I21 WeakPolarHBondContact O-CG1 3.49Å; Y17-I21 PolarHBondContact O-N 3.3Å; Y17-I21 VanDerWaalsContact O-N 3.14Å; Y17-A86 HydrophobicContact CD2-CB 4.25Å; Y17-A86 HydrophobicContact CE2-CB 3.93Å; Y17-A89 HydrophobicContact CD1-CB 3.29Å; Y17-A89 HydrophobicContact CE1-CB 4.19Å; Y17-A89 HydrophobicContact CG-CB 3.67Å
18A85.8Confident83.1Confident0 Ų080.5 Ų80.50%041%0.405CS..Hα-helixtrans-62.9-38.4178.100000112L3 V6 Q7 E14 K15 K20 I21 E22 L85L3-A18 HydrophobicContact CD2-CB 4.23Å; L3-A18 VanDerWaalsContact CD2-O 3.27Å; L3-A18 WeakPolarHBondContact CD2-O 3.35Å; L3-A18 HydrophobicContact CG-CB 4.07Å; V6-A18 HydrophobicContact CG1-CB 4.32Å; Q7-A18 HydrophobicContact CG-CB 3.46Å; Q7-A18 VanDerWaalsContact CG-CB 3.46Å; Q7-A18 PolarHBondContact NE2-O 3.5Å; E14-A18 VanDerWaalsContact O-CB 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.34Å; E14-A18 PolarHBondContact O-N 3.48Å; K15-A18 PolarHBondContact O-N 2.83Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 2.87Å; A18-I21 PolarHBondContact O-N 3.09Å; A18-E22 WeakPolarHBondContact O-CB 3.33Å; A18-E22 PolarHBondContact O-N 3.22Å; A18-L85 HydrophobicContact CB-CD1 4.46Å; A18-L85 HydrophobicContact CB-CD2 4.48Å
19K85.5Confident83.5Confident150 Ų15075.3 Ų75.365%0.65238%0.377SS*.Hα-helixtrans-63.9-35.2174.9-168.6172.4-175.6173.50113.1K15 N16 Y17K15-K19 WeakPolarHBondContact O-CB 3.45Å; K15-K19 PolarHBondContact O-N 2.83Å; N16-K19 PolarHBondContact O-N 3.17Å; Y17-K19 VanDerWaalsContact C-N 3.33Å; Y17-K19 PolarHBondContact O-N 3.45Å
20K85.4Confident84.2Confident96 Ų9671.7 Ų71.742%0.41735%0.349SS..Hα-helixtrans-71.2-34.2176.2-74.3177.9180-176.70113.1N16 Y17 A18 A89N16-K20 WeakPolarHBondContact O-CG 3.38Å; N16-K20 PolarHBondContact O-N 2.96Å; N16-K20 VanDerWaalsContact O-N 3.14Å; Y17-K20 PolarHBondContact O-N 3.04Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 2.87Å; K20-A89 HydrophobicContact CB-CB 4.47Å
21I87.2Confident84.6Confident23 Ų2372.2 Ų72.212%0.11835%0.347CS..Hα-helixtrans-84.8-31.8-175.1-63.5164.4000112.4L3 Y17 A18 P23 V24 R25 L85 A89L3-I21 HydrophobicContact CD2-CB 4.15Å; L3-I21 HydrophobicContact CD2-CG2 4.16Å; Y17-I21 WeakPolarHBondContact O-CD1 3.39Å; Y17-I21 VanDerWaalsContact O-CG1 3.31Å; Y17-I21 WeakPolarHBondContact O-CG1 3.49Å; Y17-I21 PolarHBondContact O-N 3.3Å; Y17-I21 VanDerWaalsContact O-N 3.14Å; A18-I21 PolarHBondContact O-N 3.09Å; I21-P23 VanDerWaalsContact C-CD 3.45Å; I21-V24 PolarHBondContact O-N 3.48Å; I21-R25 HydrophobicContact CG2-CB 4.28Å; I21-R25 PolarHBondContact O-N 2.69Å; I21-L85 HydrophobicContact CD1-CD1 4.2Å; I21-L85 HydrophobicContact CD1-CG 4.37Å; I21-L85 WeakPolarHBondContact CD1-O 3.17Å; I21-A89 HydrophobicContact CD1-CB 3.87Å; I21-A89 HydrophobicContact CG1-CB 3.97Å
22E84.7Confident84.8Confident67 Ų6772.1 Ų72.131%0.31334%0.343SS..Hα-helixtrans-44.7-50.5-176.6-177.1174.9-149.600115.8L3 Q7 A18 V24 R25 S26L3-E22 HydrophobicContact CD2-CB 4.18Å; Q7-E22 VanDerWaalsContact NE2-CD 3.31Å; Q7-E22 PolarHBondContact NE2-OE2 2.96Å; Q7-E22 PolarHBondContact OE1-OE2 2.9Å; A18-E22 WeakPolarHBondContact O-CB 3.33Å; A18-E22 PolarHBondContact O-N 3.22Å; E22-V24 PolarHBondContact O-N 3.47Å; E22-R25 PolarHBondContact O-N 3.28Å; E22-S26 PolarHBondContact O-N 3.39Å
23P84.1Confident85.1Confident71 Ų7166 Ų6646%0.46132%0.316SS..Hα-helixtrans-68.2-20.6-175.627.6-37000113.7I21 S26I21-P23 VanDerWaalsContact C-CD 3.45Å; P23-S26 PolarHBondContact O-OG 2.95Å
24V84.5Confident85.4Confident9 Ų957.6 Ų57.66%0.05528%0.284CS..Hα-helixtrans-88.9-36.5177.91730000110.3I21 E22 S26 Q27 L31 I92 T95 K96 M99I21-V24 PolarHBondContact O-N 3.48Å; E22-V24 PolarHBondContact O-N 3.47Å; V24-S26 VanDerWaalsContact C-N 3.35Å; V24-Q27 PolarHBondContact O-N 2.96Å; V24-L31 HydrophobicContact CG1-CD1 3.54Å; V24-L31 HydrophobicContact CG1-CD2 3.97Å; V24-L31 HydrophobicContact CG1-CG 4.26Å; V24-I92 HydrophobicContact CB-CD1 3.91Å; V24-I92 HydrophobicContact CG1-CD1 4.36Å; V24-I92 HydrophobicContact CG2-CD1 3.57Å; V24-I92 HydrophobicContact CG2-CG1 4.39Å; V24-T95 HydrophobicContact CG1-CG2 4.22Å; V24-K96 HydrophobicContact CG2-CG 4.1Å; V24-M99 HydrophobicContact CG1-CE 4.1Å; V24-M99 HydrophobicContact CG1-SD 3.58Å; V24-M99 VanDerWaalsContact CG1-SD 3.58Å
25R83.2Confident85.6Confident146 Ų14657.5 Ų57.555%0.55129%0.286SS*.Hα-helixtrans-75-21.1176.2-172.4164.2171.598.3-7.2113.5I21 E22 Q27 G28I21-R25 HydrophobicContact CG2-CB 4.28Å; I21-R25 PolarHBondContact O-N 2.69Å; E22-R25 PolarHBondContact O-N 3.28Å; R25-Q27 PolarHBondContact O-N 3.42Å; R25-G28 PolarHBondContact O-N 3.47Å
26S78.8Confident85.8Confident93 Ų9359.1 Ų59.165%0.6530%0.297SS*.THydrogen-bonded Turntrans-62.3-22.5173.868.30000112.9E22 P23 V24E22-S26 PolarHBondContact O-N 3.39Å; P23-S26 PolarHBondContact O-OG 2.95Å; V24-S26 VanDerWaalsContact C-N 3.35Å
27Q82.4Confident86Confident104 Ų10458.5 Ų58.549%0.48629%0.293SS..THydrogen-bonded Turntrans-103.958.7173.6-60.7-178-23.400110.5V24 R25 N29 Y30 L31V24-Q27 PolarHBondContact O-N 2.96Å; R25-Q27 PolarHBondContact O-N 3.42Å; Q27-N29 PolarHBondContact O-N 2.7Å; Q27-Y30 HydrophobicContact CB-CD1 4.29Å; Q27-Y30 PolarHBondContact O-N 2.99Å; Q27-L31 WeakPolarHBondContact O-CB 3.43Å; Q27-L31 PolarHBondContact O-N 3.37Å
28G82.7Confident86Confident13 Ų1357 Ų5713%0.13429%0.289CS..Hα-helixtrans-53.3-52.3-170.200000114.7R25 Y30 L31 L32 E120R25-G28 PolarHBondContact O-N 3.47Å; G28-Y30 PolarHBondContact O-N 3.48Å; G28-L31 PolarHBondContact O-N 3.34Å; G28-L32 WeakPolarHBondContact O-CB 3.33Å; G28-L32 PolarHBondContact O-N 3.11Å; G28-E120 WeakPolarHBondContact CA-OE2 3.32Å
29N84.9Confident86.1Confident15 Ų1560.1 Ų60.18%0.0831%0.306CS..Hα-helixtrans-63-39.4179.1-74.1-30000112.9Q27 L32 C33 L113 D114Q27-N29 PolarHBondContact O-N 2.7Å; N29-L32 PolarHBondContact O-N 3.45Å; N29-C33 WeakPolarHBondContact O-CB 3.33Å; N29-C33 PolarHBondContact O-N 3Å; N29-C33 PolarHBondContact O-SG 2.86Å; N29-L113 HydrophobicContact CB-CD2 4.49Å; N29-D114 WeakPolarHBondContact CB-OD1 3.47Å; N29-D114 PolarHBondContact ND2-OD1 2.85Å
30Y87.4Confident86.3Confident31 Ų3157.1 Ų57.112%0.12230%0.3CS..Hα-helixtrans-68.6-40.9176.9174.3-121.7000112.4Q27 G28 S34 M99 F103 S106Q27-Y30 HydrophobicContact CB-CD1 4.29Å; Q27-Y30 PolarHBondContact O-N 2.99Å; G28-Y30 PolarHBondContact O-N 3.48Å; Y30-S34 VanDerWaalsContact O-CB 3.28Å; Y30-S34 WeakPolarHBondContact O-CB 3.21Å; Y30-S34 PolarHBondContact O-N 3.39Å; Y30-S34 PolarHBondContact O-OG 3.02Å; Y30-M99 HydrophobicContact CD1-CE 3.32Å; Y30-M99 HydrophobicContact CE1-CB 4.23Å; Y30-M99 HydrophobicContact CE1-CE 3.25Å; Y30-M99 HydrophobicContact CG-CE 4.41Å; Y30-M99 PolarHBondContact OH-O 3.48Å; Y30-F103 HydrophobicContact CE2-CD2 4.3Å; Y30-F103 WeakPolarHBondContact OH-CD2 3.2Å; Y30-S106 VanDerWaalsContact CE2-OG 3.25Å; Y30-S106 WeakPolarHBondContact CE2-OG 3.35Å
31L88.2Confident86.4Confident28 Ų2856.7 Ų56.715%0.14730%0.302CS..Hα-helixtrans-61.9-47.2173.7176.862.2000111.1V24 Q27 G28 S34 L35 T95 M99V24-L31 HydrophobicContact CG1-CD1 3.54Å; V24-L31 HydrophobicContact CG1-CD2 3.97Å; V24-L31 HydrophobicContact CG1-CG 4.26Å; Q27-L31 WeakPolarHBondContact O-CB 3.43Å; Q27-L31 PolarHBondContact O-N 3.37Å; G28-L31 PolarHBondContact O-N 3.34Å; L31-S34 PolarHBondContact O-N 2.98Å; L31-L35 HydrophobicContact CD1-CD1 3.77Å; L31-L35 HydrophobicContact CD1-CG 4.04Å; L31-L35 HydrophobicContact CG-CD1 4.03Å; L31-L35 WeakPolarHBondContact O-CB 3.39Å; L31-L35 WeakPolarHBondContact O-CG 3.23Å; L31-L35 PolarHBondContact O-N 3.41Å; L31-T95 HydrophobicContact CD1-CG2 3.59Å; L31-M99 HydrophobicContact CB-CE 4.42Å; L31-M99 HydrophobicContact CD1-CE 4.32Å; L31-M99 HydrophobicContact CD1-CG 4.42Å; L31-M99 HydrophobicContact CD1-SD 3.72Å
32L87.1Confident86.4Confident83 Ų8358.9 Ų58.944%0.43532%0.316SS..Hα-helixtrans-59.2-51.8178.7-177.370.2000111G28 N29 S34 L35 L36G28-L32 WeakPolarHBondContact O-CB 3.33Å; G28-L32 PolarHBondContact O-N 3.11Å; N29-L32 PolarHBondContact O-N 3.45Å; L32-S34 PolarHBondContact O-N 2.71Å; L32-L35 PolarHBondContact O-N 3Å; L32-L36 HydrophobicContact CD1-CD1 4.14Å; L32-L36 HydrophobicContact CD1-CG 4.43Å; L32-L36 HydrophobicContact CG-CD1 3.96Å; L32-L36 WeakPolarHBondContact O-CB 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 3.43Å
33C88.2Confident86.6Confident13 Ų1357 Ų579%0.08831%0.308CS..Hα-helixtrans-61.3-41.8178.6-70.60000112.4N29 L37N29-C33 WeakPolarHBondContact O-CB 3.33Å; N29-C33 PolarHBondContact O-N 3Å; N29-C33 PolarHBondContact O-SG 2.86Å; C33-L37 WeakPolarHBondContact O-CB 3.22Å; C33-L37 WeakPolarHBondContact O-CG 3.37Å; C33-L37 PolarHBondContact O-N 2.67Å
34S90Very high86.7Confident0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-66.4-41.1180-59.90000112.4Y30 L31 L32 G38 T102 S106Y30-S34 VanDerWaalsContact O-CB 3.28Å; Y30-S34 WeakPolarHBondContact O-CB 3.21Å; Y30-S34 PolarHBondContact O-N 3.39Å; Y30-S34 PolarHBondContact O-OG 3.02Å; L31-S34 PolarHBondContact O-N 2.98Å; L32-S34 PolarHBondContact O-N 2.71Å; S34-G38 PolarHBondContact O-N 3.07Å; S34-T102 WeakPolarHBondContact CA-OG1 3.37Å; S34-T102 WeakPolarHBondContact CB-OG1 3.38Å; S34-T102 PolarHBondContact OG-OG1 3.36Å; S34-S106 WeakPolarHBondContact OG-CB 3.4Å; S34-S106 PolarHBondContact OG-OG 2.91Å
35L89.1Confident86.8Confident81 Ų8160.2 Ų60.242%0.42433%0.327SS..Hα-helixtrans-71.6-39.7177.6-72.8177.5000112.3L31 L32 G38 N39 T95L31-L35 HydrophobicContact CD1-CD1 3.77Å; L31-L35 HydrophobicContact CD1-CG 4.04Å; L31-L35 HydrophobicContact CG-CD1 4.03Å; L31-L35 WeakPolarHBondContact O-CB 3.39Å; L31-L35 WeakPolarHBondContact O-CG 3.23Å; L31-L35 PolarHBondContact O-N 3.41Å; L32-L35 PolarHBondContact O-N 3Å; L35-G38 PolarHBondContact O-N 2.96Å; L35-N39 WeakPolarHBondContact O-CB 3.4Å; L35-N39 PolarHBondContact O-N 3.13Å; L35-T95 HydrophobicContact CD2-CG2 4.18Å
36L89.1Confident86.9Confident98 Ų9856.8 Ų56.851%0.51332%0.319SS..Hα-helixtrans-64.2-46.8176-75.2173.6000111.6L32 G38 N39 V40L32-L36 HydrophobicContact CD1-CD1 4.14Å; L32-L36 HydrophobicContact CD1-CG 4.43Å; L32-L36 HydrophobicContact CG-CD1 3.96Å; L32-L36 WeakPolarHBondContact O-CB 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 3.43Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 3.19Å; L36-N39 PolarHBondContact O-N 3.42Å; L36-V40 WeakPolarHBondContact O-CG2 3.31Å; L36-V40 PolarHBondContact O-N 3.28Å
37L89.1Confident87.2Confident71 Ų7154.9 Ų54.937%0.37230%0.303SS..Hα-helixtrans-63.3-39.8175.5-73.8175.3000111.7C33 V40 L41 T102 A105C33-L37 WeakPolarHBondContact O-CB 3.22Å; C33-L37 WeakPolarHBondContact O-CG 3.37Å; C33-L37 PolarHBondContact O-N 2.67Å; L37-V40 PolarHBondContact O-N 3.32Å; L37-L41 VanDerWaalsContact O-CB 3.23Å; L37-L41 WeakPolarHBondContact O-CB 3.16Å; L37-L41 PolarHBondContact O-N 3.45Å; L37-T102 HydrophobicContact CB-CG2 4.25Å; L37-A105 HydrophobicContact CD1-CB 4.23Å
38G88.6Confident87.3Confident5 Ų554.7 Ų54.75%0.05231%0.305CS..Hα-helixtrans-60.9-44.3173.800000112.5S34 L35 L36 L41 V42S34-G38 PolarHBondContact O-N 3.07Å; L35-G38 PolarHBondContact O-N 2.96Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 3.19Å; G38-L41 PolarHBondContact O-N 3.44Å; G38-V42 VanDerWaalsContact O-CG2 3.31Å; G38-V42 WeakPolarHBondContact O-CG2 3.38Å; G38-V42 PolarHBondContact O-N 2.94Å
39N88.3Confident87.4Confident65 Ų6558.4 Ų58.435%0.34832%0.321SS..Hα-helixtrans-62-49177.2-171.943.3000111.5L35 L36 L41 V42 N43L35-N39 WeakPolarHBondContact O-CB 3.4Å; L35-N39 PolarHBondContact O-N 3.13Å; L36-N39 PolarHBondContact O-N 3.42Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 2.98Å; N39-V42 PolarHBondContact O-N 3.42Å; N39-N43 WeakPolarHBondContact O-CB 3.34Å; N39-N43 VanDerWaalsContact O-CG 3.29Å; N39-N43 PolarHBondContact O-N 2.96Å
40V88.9Confident87.2Confident88 Ų8860.1 Ų60.153%0.53333%0.33SS..Hα-helixtrans-61.1-42.6177.8173.30000111.3L36 L37 T44L36-V40 WeakPolarHBondContact O-CG2 3.31Å; L36-V40 PolarHBondContact O-N 3.28Å; L37-V40 PolarHBondContact O-N 3.32Å; V40-T44 WeakPolarHBondContact O-CB 3.47Å; V40-T44 PolarHBondContact O-N 3.07Å; V40-T44 PolarHBondContact O-OG1 3.11Å
41L88.5Confident86.9Confident87 Ų8762.3 Ų62.346%0.45534%0.343SS..Hα-helixtrans-61.1-48.9177.4-179.565.4000112L37 G38 N39 T45L37-L41 VanDerWaalsContact O-CB 3.23Å; L37-L41 WeakPolarHBondContact O-CB 3.16Å; L37-L41 PolarHBondContact O-N 3.45Å; G38-L41 PolarHBondContact O-N 3.44Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 2.98Å; L41-T45 WeakPolarHBondContact O-CB 3.32Å; L41-T45 PolarHBondContact O-N 3.34Å; L41-T45 PolarHBondContact O-OG1 2.87Å
42V87.8Confident86.5Confident69 Ų6967.3 Ų67.342%0.41837%0.371SS..Hα-helixtrans-64.3-45.6-179.9171.60000110.6G38 N39 T44 T45 L46 F98G38-V42 VanDerWaalsContact O-CG2 3.31Å; G38-V42 WeakPolarHBondContact O-CG2 3.38Å; G38-V42 PolarHBondContact O-N 2.94Å; N39-V42 PolarHBondContact O-N 3.42Å; V42-T44 PolarHBondContact O-N 3.46Å; V42-T45 PolarHBondContact O-N 2.76Å; V42-L46 VanDerWaalsContact O-CB 3.27Å; V42-L46 WeakPolarHBondContact O-CB 3.29Å; V42-L46 PolarHBondContact O-N 3.22Å; V42-F98 HydrophobicContact CG2-CE1 4.28Å; V42-F98 HydrophobicContact CG2-CZ 4.27Å
43N87.3Confident86.2Confident26 Ų2669.7 Ų69.714%0.13938%0.382CS..Hα-helixtrans-61.9-46.3179.3-72.8-7.5000111.5N39 T45 L46 T47 I68N39-N43 WeakPolarHBondContact O-CB 3.34Å; N39-N43 VanDerWaalsContact O-CG 3.29Å; N39-N43 PolarHBondContact O-N 2.96Å; N43-T45 PolarHBondContact O-N 2.77Å; N43-L46 PolarHBondContact O-N 2.88Å; N43-T47 PolarHBondContact O-N 2.86Å; N43-T47 PolarHBondContact O-OG1 3.41Å; N43-I68 HydrophobicContact CB-CG2 4.37Å
44T86.6Confident85.5Confident73 Ų7371 Ų7145%0.44839%0.394SS..Hα-helixtrans-65-41.5179.8-50.60000111.4V40 V42 T47 I48V40-T44 WeakPolarHBondContact O-CB 3.47Å; V40-T44 PolarHBondContact O-N 3.07Å; V40-T44 PolarHBondContact O-OG1 3.11Å; V42-T44 PolarHBondContact O-N 3.46Å; T44-T47 PolarHBondContact O-N 2.88Å; T44-I48 HydrophobicContact CG2-CD1 4.1Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.21Å; T44-I48 PolarHBondContact O-N 3.39Å; T44-I48 VanDerWaalsContact O-N 3.11Å
45T87.3Confident84.5Confident76 Ų7674.6 Ų74.647%0.46643%0.431SS..Hα-helixtrans-65.6-41.9178.2-53.80000111.2L41 V42 N43 I48 L49L41-T45 WeakPolarHBondContact O-CB 3.32Å; L41-T45 PolarHBondContact O-N 3.34Å; L41-T45 PolarHBondContact O-OG1 2.87Å; V42-T45 PolarHBondContact O-N 2.76Å; N43-T45 PolarHBondContact O-N 2.77Å; T45-I48 PolarHBondContact O-N 3.06Å; T45-L49 WeakPolarHBondContact O-CB 3.29Å; T45-L49 PolarHBondContact O-N 2.72Å
46L84.9Confident83.7Confident74 Ų7472.9 Ų72.939%0.38743%0.426SS..Hα-helixtrans-65.1-41.5178.6-176.355.9000111.3V42 N43 L49 L50 I68V42-L46 VanDerWaalsContact O-CB 3.27Å; V42-L46 WeakPolarHBondContact O-CB 3.29Å; V42-L46 PolarHBondContact O-N 3.22Å; N43-L46 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 3.02Å; L46-L50 HydrophobicContact CD1-CD1 3.79Å; L46-L50 HydrophobicContact CD1-CG 4.44Å; L46-L50 HydrophobicContact CG-CD1 3.75Å; L46-L50 WeakPolarHBondContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CD1 3.2Å; L46-L50 WeakPolarHBondContact O-CG 3.32Å; L46-L50 PolarHBondContact O-N 2.65Å; L46-I68 HydrophobicContact CD2-CG1 3.87Å; L46-I68 HydrophobicContact CG-CG1 4.33Å
47T84.5Confident83Confident53 Ų5370.3 Ų70.333%0.32542%0.423SS..Hα-helixtrans-60.3-46.4174.8-56.90000112.2N43 T44 L50 D51 I68N43-T47 PolarHBondContact O-N 2.86Å; N43-T47 PolarHBondContact O-OG1 3.41Å; T44-T47 PolarHBondContact O-N 2.88Å; T47-L50 PolarHBondContact O-N 2.69Å; T47-D51 PolarHBondContact O-N 3.2Å; T47-I68 WeakPolarHBondContact OG1-CD1 3.49Å
48I85.6Confident82.6Confident100 Ų10074 Ų7451%0.51344%0.443SS..Hα-helixtrans-63.6-44.4179.4-66.5166000110.7T44 T45 L50 D51 D52T44-I48 HydrophobicContact CG2-CD1 4.1Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.21Å; T44-I48 PolarHBondContact O-N 3.39Å; T44-I48 VanDerWaalsContact O-N 3.11Å; T45-I48 PolarHBondContact O-N 3.06Å; I48-L50 VanDerWaalsContact C-N 3.32Å; I48-L50 PolarHBondContact O-N 3.44Å; I48-D51 WeakPolarHBondContact O-CB 3.41Å; I48-D51 PolarHBondContact O-N 2.97Å; I48-D52 PolarHBondContact O-N 3.48Å; I48-D52 VanDerWaalsContact O-N 3.13Å
49L84Confident82.2Confident91 Ų9178.8 Ų78.848%0.47647%0.466SS..Hα-helixtrans-65.4-36179.5-171.6149.2000112.3T45 L46 I53T45-L49 WeakPolarHBondContact O-CB 3.29Å; T45-L49 PolarHBondContact O-N 2.72Å; L46-L49 PolarHBondContact O-N 3.02Å; L49-I53 HydrophobicContact CD2-CD1 3.49Å; L49-I53 VanDerWaalsContact CD2-CD1 3.49Å; L49-I53 HydrophobicContact CD2-CG1 4.5Å; L49-I53 HydrophobicContact CG-CD1 4.39Å; L49-I53 WeakPolarHBondContact O-CG1 3.49Å; L49-I53 PolarHBondContact O-N 2.97Å
50L80.4Confident81.9Confident51 Ų5175.8 Ų75.827%0.26745%0.45SS..Hα-helixtrans-69.4-32.5174.4-85151.6000112.6L46 T47 I48 I53 A54L46-L50 HydrophobicContact CD1-CD1 3.79Å; L46-L50 HydrophobicContact CD1-CG 4.44Å; L46-L50 HydrophobicContact CG-CD1 3.75Å; L46-L50 WeakPolarHBondContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CD1 3.2Å; L46-L50 WeakPolarHBondContact O-CG 3.32Å; L46-L50 PolarHBondContact O-N 2.65Å; T47-L50 PolarHBondContact O-N 2.69Å; I48-L50 VanDerWaalsContact C-N 3.32Å; I48-L50 PolarHBondContact O-N 3.44Å; L50-I53 PolarHBondContact O-N 2.85Å; L50-A54 WeakPolarHBondContact O-CB 3.22Å; L50-A54 PolarHBondContact O-N 3.38Å
51D82.4Confident81.6Confident76 Ų7675.4 Ų75.441%0.40645%0.448SS..Hα-helixtrans-64.5-45.4174.3-16242.3000111.6T47 I48 I53 G55 A60T47-D51 PolarHBondContact O-N 3.2Å; I48-D51 WeakPolarHBondContact O-CB 3.41Å; I48-D51 PolarHBondContact O-N 2.97Å; D51-I53 VanDerWaalsContact C-N 3.29Å; D51-I53 PolarHBondContact O-N 2.96Å; D51-G55 PolarHBondContact O-N 3.29Å; D51-A60 HydrophobicContact CB-CB 4.39Å; D51-A60 WeakPolarHBondContact OD1-CB 3.44Å
52D79.9Confident81.5Confident134 Ų13475.1 Ų75.172%0.71745%0.449SS*.Hα-helixtrans-62.5-32.6176.8-77-18.1000113I48I48-D52 PolarHBondContact O-N 3.48Å; I48-D52 VanDerWaalsContact O-N 3.13Å
53I79.8Confident81.3Confident132 Ų13277.4 Ų77.468%0.67746%0.457SS*.Hα-helixtrans-86.2-37.1-177.8-66.4174.2000112.4L49 L50 D51L49-I53 HydrophobicContact CD2-CD1 3.49Å; L49-I53 VanDerWaalsContact CD2-CD1 3.49Å; L49-I53 HydrophobicContact CD2-CG1 4.5Å; L49-I53 HydrophobicContact CG-CD1 4.39Å; L49-I53 WeakPolarHBondContact O-CG1 3.49Å; L49-I53 PolarHBondContact O-N 2.97Å; L50-I53 PolarHBondContact O-N 2.85Å; D51-I53 VanDerWaalsContact C-N 3.29Å; D51-I53 PolarHBondContact O-N 2.96Å
54A73.5Confident81.2Confident40 Ų4076.3 Ų76.333%0.33145%0.451SS..Hα-helixtrans-82-13.3-172.700000113.8L50 S56 A60L50-A54 WeakPolarHBondContact O-CB 3.22Å; L50-A54 PolarHBondContact O-N 3.38Å; A54-S56 PolarHBondContact O-N 2.74Å; A54-S56 PolarHBondContact O-OG 2.98Å; A54-S56 VanDerWaalsContact O-OG 3.08Å; A54-A60 HydrophobicContact CB-CB 3.75Å
55G68.7Low81.2Confident77 Ų7776.4 Ų76.479%0.79445%0.452SS*.SBendtrans61.41.3169.800000116.1D51D51-G55 PolarHBondContact O-N 3.29Å
56S73.3Confident81.3Confident45 Ų4577.1 Ų77.132%0.31545%0.452SS..SBendtrans-143.2105.5-177.552.50000109.2A54 L58 I59 A60A54-S56 PolarHBondContact O-N 2.74Å; A54-S56 PolarHBondContact O-OG 2.98Å; A54-S56 VanDerWaalsContact O-OG 3.08Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.43Å; S56-L58 VanDerWaalsContact O-N 3.1Å; S56-I59 PolarHBondContact O-N 3.48Å; S56-I59 VanDerWaalsContact O-N 3.07Å; S56-I59 WeakPolarHBondContact OG-CB 3.44Å; S56-A60 WeakPolarHBondContact O-CB 3.38Å; S56-A60 PolarHBondContact O-N 2.98Å
57G74.6Confident81.3Confident43 Ų4374.8 Ų74.844%0.44345%0.446SS..Hα-helixtrans-56.7-33.7-166.800000115.1V61G57-V61 WeakPolarHBondContact O-CB 3.43Å; G57-V61 WeakPolarHBondContact O-CG2 3.37Å; G57-V61 PolarHBondContact O-N 2.71Å; G57-V61 VanDerWaalsContact O-N 3.09Å
58L80.3Confident81.5Confident150 Ų15072.9 Ų72.979%0.78543%0.433SS*.Hα-helixtrans-71.3-41.8177.5-96.5154.3000113.2S56 V62S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.43Å; S56-L58 VanDerWaalsContact O-N 3.1Å; L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 2.93Å
59I80.2Confident81.7Confident105 Ų10570.8 Ų70.854%0.53843%0.425SS..Hα-helixtrans-73.4-37.6179.5-63.8167.7000109.4S56 V61 V62 M63S56-I59 PolarHBondContact O-N 3.48Å; S56-I59 VanDerWaalsContact O-N 3.07Å; S56-I59 WeakPolarHBondContact OG-CB 3.44Å; I59-V61 PolarHBondContact O-N 2.93Å; I59-V62 PolarHBondContact O-N 3.39Å; I59-M63 HydrophobicContact CG2-CG 4.13Å; I59-M63 VanDerWaalsContact O-CB 3.29Å; I59-M63 WeakPolarHBondContact O-CB 3.34Å; I59-M63 WeakPolarHBondContact O-CG 3.34Å; I59-M63 PolarHBondContact O-N 2.84Å
60A80.4Confident82Confident2 Ų270 Ų702%0.01742%0.42CS..Hα-helixtrans-57.7-47.317400000112.3D51 A54 S56 S64D51-A60 HydrophobicContact CB-CB 4.39Å; D51-A60 WeakPolarHBondContact OD1-CB 3.44Å; A54-A60 HydrophobicContact CB-CB 3.75Å; S56-A60 WeakPolarHBondContact O-CB 3.38Å; S56-A60 PolarHBondContact O-N 2.98Å; A60-S64 WeakPolarHBondContact O-CB 3.49Å; A60-S64 PolarHBondContact O-N 3.38Å; A60-S64 PolarHBondContact O-OG 3.34Å
61V82.8Confident82.2Confident80 Ų8075 Ų7549%0.48544%0.441SS..Hα-helixtrans-65.1-45.1-179.9169.70000111.5G57 I59 S64 T65G57-V61 WeakPolarHBondContact O-CB 3.43Å; G57-V61 WeakPolarHBondContact O-CG2 3.37Å; G57-V61 PolarHBondContact O-N 2.71Å; G57-V61 VanDerWaalsContact O-N 3.09Å; I59-V61 PolarHBondContact O-N 2.93Å; V61-S64 WeakPolarHBondContact CA-OG 3.44Å; V61-S64 PolarHBondContact O-OG 2.94Å; V61-S64 VanDerWaalsContact O-OG 3.07Å; V61-T65 VanDerWaalsContact O-CB 3.29Å; V61-T65 WeakPolarHBondContact O-CB 3.37Å; V61-T65 PolarHBondContact O-N 3.05Å; V61-T65 PolarHBondContact O-OG1 3.01Å
62V86.3Confident82.3Confident80 Ų8073 Ų7349%0.48544%0.437SS..Hα-helixtrans-66.8-46.1179.9175.10000111.3L58 I59 T65 I66L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 2.93Å; I59-V62 PolarHBondContact O-N 3.39Å; V62-T65 PolarHBondContact O-N 2.89Å; V62-I66 HydrophobicContact CG1-CD1 3.9Å; V62-I66 WeakPolarHBondContact O-CG1 3.37Å; V62-I66 PolarHBondContact O-N 2.85Å
63M83.6Confident82.5Confident117 Ų11770.2 Ų70.258%0.57642%0.42SS*.Hα-helixtrans-67.7-40-179.5-72.5-61.5-64.600112.4I59 G67I59-M63 HydrophobicContact CG2-CG 4.13Å; I59-M63 VanDerWaalsContact O-CB 3.29Å; I59-M63 WeakPolarHBondContact O-CB 3.34Å; I59-M63 WeakPolarHBondContact O-CG 3.34Å; I59-M63 PolarHBondContact O-N 2.84Å; M63-G67 PolarHBondContact O-N 2.78Å
64S85.1Confident83Confident3 Ų368.7 Ų68.72%0.02141%0.412CS..Hα-helixtrans-66.8-4117660.10000112A60 V61 G67 I68A60-S64 WeakPolarHBondContact O-CB 3.49Å; A60-S64 PolarHBondContact O-N 3.38Å; A60-S64 PolarHBondContact O-OG 3.34Å; V61-S64 WeakPolarHBondContact CA-OG 3.44Å; V61-S64 PolarHBondContact O-OG 2.94Å; V61-S64 VanDerWaalsContact O-OG 3.07Å; S64-G67 PolarHBondContact O-N 2.95Å; S64-I68 VanDerWaalsContact O-CB 3.31Å; S64-I68 WeakPolarHBondContact O-CB 3.35Å; S64-I68 WeakPolarHBondContact O-CD1 3.28Å; S64-I68 WeakPolarHBondContact O-CG1 3.49Å; S64-I68 PolarHBondContact O-N 2.92Å
65T87.1Confident83.7Confident76 Ų7669.9 Ų69.947%0.46642%0.415SS..Hα-helixtrans-62.9-48.2177.8-55.90000111.4V61 V62 V69V61-T65 VanDerWaalsContact O-CB 3.29Å; V61-T65 WeakPolarHBondContact O-CB 3.37Å; V61-T65 PolarHBondContact O-N 3.05Å; V61-T65 PolarHBondContact O-OG1 3.01Å; V62-T65 PolarHBondContact O-N 2.89Å; T65-V69 HydrophobicContact CG2-CG2 4.49Å; T65-V69 WeakPolarHBondContact O-CB 3.31Å; T65-V69 WeakPolarHBondContact O-CG2 3.34Å; T65-V69 PolarHBondContact O-N 3.48Å
66I88.9Confident84.5Confident90 Ų9068.7 Ų68.746%0.46239%0.393SS..Hα-helixtrans-65-42.8178.3-65.9170.5000110.8V62 I70V62-I66 HydrophobicContact CG1-CD1 3.9Å; V62-I66 WeakPolarHBondContact O-CG1 3.37Å; V62-I66 PolarHBondContact O-N 2.85Å; I66-I70 HydrophobicContact CG2-CD1 3.67Å; I66-I70 HydrophobicContact CG2-CG1 4.41Å; I66-I70 WeakPolarHBondContact O-CB 3.37Å; I66-I70 WeakPolarHBondContact O-CG1 3.44Å; I66-I70 PolarHBondContact O-N 2.94Å
67G86.5Confident85.1Confident25 Ų2573.2 Ų73.226%0.25841%0.41SS..Hα-helixtrans-61.8-46.917900000112.6M63 S64 F71M63-G67 PolarHBondContact O-N 2.78Å; S64-G67 PolarHBondContact O-N 2.95Å; G67-F71 WeakPolarHBondContact O-CB 3.27Å; G67-F71 PolarHBondContact O-N 2.9Å
68I88.9Confident85.8Confident14 Ų1474.1 Ų74.17%0.07241%0.413CS..Iπ-helixtrans-66.1-45.4178.8-68.2164.8000110.7N43 L46 T47 S64 I70 G72 E73N43-I68 HydrophobicContact CB-CG2 4.37Å; L46-I68 HydrophobicContact CD2-CG1 3.87Å; L46-I68 HydrophobicContact CG-CG1 4.33Å; T47-I68 WeakPolarHBondContact OG1-CD1 3.49Å; S64-I68 VanDerWaalsContact O-CB 3.31Å; S64-I68 WeakPolarHBondContact O-CB 3.35Å; S64-I68 WeakPolarHBondContact O-CD1 3.28Å; S64-I68 WeakPolarHBondContact O-CG1 3.49Å; S64-I68 PolarHBondContact O-N 2.92Å; I68-I70 PolarHBondContact O-N 3.5Å; I68-G72 CarbonylContact O-C 3.43Å; I68-G72 WeakPolarHBondContact O-CA 3.49Å; I68-G72 PolarHBondContact O-N 2.93Å; I68-E73 PolarHBondContact O-N 3.23Å
69V90Very high86.1Confident55 Ų5571.2 Ų71.233%0.33340%0.397SS..Iπ-helixtrans-64-45.3-178.9169.50000111.2T65 I74T65-V69 HydrophobicContact CG2-CG2 4.49Å; T65-V69 WeakPolarHBondContact O-CB 3.31Å; T65-V69 WeakPolarHBondContact O-CG2 3.34Å; T65-V69 PolarHBondContact O-N 3.48Å; V69-I74 HydrophobicContact CG1-CD1 3.56Å; V69-I74 HydrophobicContact CG1-CG1 4.1Å; V69-I74 WeakPolarHBondContact O-CB 3.41Å; V69-I74 VanDerWaalsContact O-CG1 3.28Å; V69-I74 WeakPolarHBondContact O-CG1 3.33Å; V69-I74 PolarHBondContact O-N 3.07Å
70I88.7Confident86.3Confident74 Ų7469.2 Ų69.238%0.37939%0.392SS..Iπ-helixtrans-73.9-55.4-178.1-64176.7000111I66 I68 V75I66-I70 HydrophobicContact CG2-CD1 3.67Å; I66-I70 HydrophobicContact CG2-CG1 4.41Å; I66-I70 WeakPolarHBondContact O-CB 3.37Å; I66-I70 WeakPolarHBondContact O-CG1 3.44Å; I66-I70 PolarHBondContact O-N 2.94Å; I68-I70 PolarHBondContact O-N 3.5Å; I70-V75 HydrophobicContact CG2-CG2 4.36Å; I70-V75 WeakPolarHBondContact O-CB 3.12Å; I70-V75 VanDerWaalsContact O-CG2 3.25Å; I70-V75 WeakPolarHBondContact O-CG2 3.21Å; I70-V75 PolarHBondContact O-N 2.84Å
71F85.9Confident86.4Confident158 Ų15874.3 Ų74.369%0.69343%0.427SS*.Iπ-helixtrans-89.8-27.4-170.6-64.8-79.2000113.9G67 P76G67-F71 WeakPolarHBondContact O-CB 3.27Å; G67-F71 PolarHBondContact O-N 2.9Å; F71-P76 VanDerWaalsContact O-CD 3.31Å; F71-P76 WeakPolarHBondContact O-CD 3.33Å; F71-P76 VanDerWaalsContact O-CG 3.24Å; F71-P76 WeakPolarHBondContact O-CG 3.49Å
72G83.3Confident86.3Confident32 Ų3280.5 Ų80.533%0.3344%0.442SS..Iπ-helixtrans-90.4-33.3-179.500000113.9I68I68-G72 CarbonylContact O-C 3.43Å; I68-G72 WeakPolarHBondContact O-CA 3.49Å; I68-G72 PolarHBondContact O-N 2.93Å
73E85.2Confident86.3Confident77 Ų7781.6 Ų81.636%0.3644%0.442SS..Iπ-helixtrans-115.2-63.9-174.1-62.1-171.6165.100113.1I68 P76 Q77I68-E73 PolarHBondContact O-N 3.23Å; E73-P76 WeakPolarHBondContact O-CD 3.28Å; E73-Q77 WeakPolarHBondContact O-CB 3.36Å; E73-Q77 PolarHBondContact O-N 3.04Å
74I89.3Confident86.3Confident99 Ų9977.8 Ų77.851%0.50843%0.432SS..Iπ-helixtrans-63.9-53.7-170.1-66.5173.4000111.9V69 Q77 A78V69-I74 HydrophobicContact CG1-CD1 3.56Å; V69-I74 HydrophobicContact CG1-CG1 4.1Å; V69-I74 WeakPolarHBondContact O-CB 3.41Å; V69-I74 VanDerWaalsContact O-CG1 3.28Å; V69-I74 WeakPolarHBondContact O-CG1 3.33Å; V69-I74 PolarHBondContact O-N 3.07Å; I74-Q77 PolarHBondContact O-N 3.41Å; I74-A78 WeakPolarHBondContact O-CB 3.22Å; I74-A78 PolarHBondContact O-N 3.26Å
75V88.4Confident86.2Confident66 Ų6679.8 Ų79.840%0.444%0.442SS..Hα-helixtrans-63.8-48.9-176.51700000111.4I70 Q77 A78 I79I70-V75 HydrophobicContact CG2-CG2 4.36Å; I70-V75 WeakPolarHBondContact O-CB 3.12Å; I70-V75 VanDerWaalsContact O-CG2 3.25Å; I70-V75 WeakPolarHBondContact O-CG2 3.21Å; I70-V75 PolarHBondContact O-N 2.84Å; V75-Q77 PolarHBondContact O-N 3.48Å; V75-A78 PolarHBondContact O-N 2.93Å; V75-I79 HydrophobicContact CG1-CD1 3.99Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 3.33Å; V75-I79 VanDerWaalsContact O-N 3.15Å
76P85.3Confident86.2Confident51 Ų5177.6 Ų77.633%0.33143%0.432SS..Hα-helixtrans-61.2-42.1176.4-26.537.6000113.2F71 E73 A78 I79 C80F71-P76 VanDerWaalsContact O-CD 3.31Å; F71-P76 WeakPolarHBondContact O-CD 3.33Å; F71-P76 VanDerWaalsContact O-CG 3.24Å; F71-P76 WeakPolarHBondContact O-CG 3.49Å; E73-P76 WeakPolarHBondContact O-CD 3.28Å; P76-A78 PolarHBondContact O-N 3.43Å; P76-I79 PolarHBondContact O-N 2.94Å; P76-C80 WeakPolarHBondContact O-CB 3.5Å; P76-C80 PolarHBondContact O-N 3.12Å; P76-C80 PolarHBondContact O-SG 2.85Å; P76-C80 VanDerWaalsContact O-SG 3.36Å
77Q86.4Confident86.1Confident141 Ų14175.2 Ų75.266%0.65942%0.421SS*.Hα-helixtrans-66.2-38.2-179.7-170.9172.9-10.300111.9E73 I74 V75 C80 S81E73-Q77 WeakPolarHBondContact O-CB 3.36Å; E73-Q77 PolarHBondContact O-N 3.04Å; I74-Q77 PolarHBondContact O-N 3.41Å; V75-Q77 PolarHBondContact O-N 3.48Å; Q77-C80 PolarHBondContact O-N 2.85Å; Q77-S81 WeakPolarHBondContact O-CB 3.43Å; Q77-S81 PolarHBondContact O-N 3.11Å
78A88.3Confident86.1Confident62 Ų6275.1 Ų75.151%0.51242%0.42SS..Hα-helixtrans-63-41.7174.600000112.2I74 V75 P76 S81 R82I74-A78 WeakPolarHBondContact O-CB 3.22Å; I74-A78 PolarHBondContact O-N 3.26Å; V75-A78 PolarHBondContact O-N 2.93Å; P76-A78 PolarHBondContact O-N 3.43Å; A78-S81 PolarHBondContact O-N 2.78Å; A78-R82 PolarHBondContact O-N 2.92Å
79I86.8Confident86Confident89 Ų8974.6 Ų74.646%0.45642%0.418SS..Hα-helixtrans-67.3-45.5177.3-64.8167.9000110.5V75 P76 S81 R82 H83 V87V75-I79 HydrophobicContact CG1-CD1 3.99Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 3.33Å; V75-I79 VanDerWaalsContact O-N 3.15Å; P76-I79 PolarHBondContact O-N 2.94Å; I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 2.87Å; I79-R82 PolarHBondContact O-N 2.93Å; I79-H83 PolarHBondContact O-N 3.24Å; I79-V87 HydrophobicContact CG2-CG2 4.06Å
80C85.4Confident85.9Confident62 Ų6277.2 Ų77.242%0.41943%0.43SS..Hα-helixtrans-63.7-31.9177.3-74.20000112.7P76 Q77 R82 G84P76-C80 WeakPolarHBondContact O-CB 3.5Å; P76-C80 PolarHBondContact O-N 3.12Å; P76-C80 PolarHBondContact O-SG 2.85Å; P76-C80 VanDerWaalsContact O-SG 3.36Å; Q77-C80 PolarHBondContact O-N 2.85Å; C80-R82 VanDerWaalsContact C-N 3.29Å; C80-R82 PolarHBondContact O-N 3.48Å; C80-G84 WeakPolarHBondContact O-CA 3.45Å; C80-G84 PolarHBondContact O-N 3.3Å
81S82.3Confident85.9Confident109 Ų10976.2 Ų76.276%0.76243%0.427SS*.Hα-helixtrans-66.8-29.4176.5-174.30000113Q77 A78 I79Q77-S81 WeakPolarHBondContact O-CB 3.43Å; Q77-S81 PolarHBondContact O-N 3.11Å; A78-S81 PolarHBondContact O-N 2.78Å; I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 2.87Å
82R81.1Confident86Confident210 Ų21070 Ų7079%0.79240%0.401SS*.Hα-helixtrans-100.7-31.8-176.5-158.2175.5-175.3-151.50.6113.5A78 I79 C80A78-R82 PolarHBondContact O-N 2.92Å; I79-R82 PolarHBondContact O-N 2.93Å; C80-R82 VanDerWaalsContact C-N 3.29Å; C80-R82 PolarHBondContact O-N 3.48Å
83H85Confident86.3Confident104 Ų10476.6 Ų76.648%0.48142%0.421SS..Hα-helixtrans-126.930.1-177.2-58.895.8000112.9I79 L85 A86 V87I79-H83 PolarHBondContact O-N 3.24Å; H83-L85 VanDerWaalsContact C-N 3.27Å; H83-L85 PolarHBondContact O-N 3.19Å; H83-L85 VanDerWaalsContact O-N 3.13Å; H83-A86 PolarHBondContact O-N 2.92Å; H83-V87 HydrophobicContact CB-CG2 4.22Å; H83-V87 WeakPolarHBondContact O-CG2 3.45Å; H83-V87 PolarHBondContact O-N 2.78Å
84G84.1Confident86.5Confident36 Ų3677.4 Ų77.437%0.37143%0.427SS..Hα-helixtrans-53.3-38.4-171.300000114.8C80 G88C80-G84 WeakPolarHBondContact O-CA 3.45Å; C80-G84 PolarHBondContact O-N 3.3Å; G84-G88 PolarHBondContact O-N 3.47Å
85L84.4Confident86.4Confident46 Ų4673.7 Ų73.724%0.24141%0.41CS..Hα-helixtrans-68.1-42.5179-15379.2000112.4L3 V6 E14 A18 I21 H83 A89L3-L85 HydrophobicContact CD1-CD1 3.92Å; V6-L85 HydrophobicContact CG1-CD2 3.76Å; E14-L85 HydrophobicContact CB-CD2 3.87Å; E14-L85 HydrophobicContact CG-CD2 4.11Å; A18-L85 HydrophobicContact CB-CD1 4.46Å; A18-L85 HydrophobicContact CB-CD2 4.48Å; I21-L85 HydrophobicContact CD1-CD1 4.2Å; I21-L85 HydrophobicContact CD1-CG 4.37Å; I21-L85 WeakPolarHBondContact CD1-O 3.17Å; H83-L85 VanDerWaalsContact C-N 3.27Å; H83-L85 PolarHBondContact O-N 3.19Å; H83-L85 VanDerWaalsContact O-N 3.13Å; L85-A89 WeakPolarHBondContact O-CB 3.45Å; L85-A89 PolarHBondContact O-N 2.91Å
86A85.4Confident86.4Confident30 Ų3075.9 Ų75.925%0.24841%0.414CS..Hα-helixtrans-71.6-42.2179.200000111.6Y17 H83 N90Y17-A86 HydrophobicContact CD2-CB 4.25Å; Y17-A86 HydrophobicContact CE2-CB 3.93Å; H83-A86 PolarHBondContact O-N 2.92Å; A86-N90 WeakPolarHBondContact O-CB 3.38Å; A86-N90 PolarHBondContact O-N 3.02Å; A86-N90 PolarHBondContact O-ND2 3.27Å
87V87.1Confident86.7Confident39 Ų3978.6 Ų78.624%0.23642%0.42CS..Hα-helixtrans-63.5-52.3177.3176.70000109.8I79 H83 A89 N90 T91I79-V87 HydrophobicContact CG2-CG2 4.06Å; H83-V87 HydrophobicContact CB-CG2 4.22Å; H83-V87 WeakPolarHBondContact O-CG2 3.45Å; H83-V87 PolarHBondContact O-N 2.78Å; V87-A89 VanDerWaalsContact C-N 3.29Å; V87-A89 PolarHBondContact O-N 3.07Å; V87-N90 PolarHBondContact O-N 2.8Å; V87-T91 HydrophobicContact CG1-CG2 4.2Å; V87-T91 WeakPolarHBondContact O-CG2 3.39Å; V87-T91 PolarHBondContact O-N 3.36Å; V87-T91 PolarHBondContact O-OG1 3.46Å
88G86.2Confident86.7Confident23 Ų2374.2 Ų74.224%0.23740%0.399CS..Hα-helixtrans-60.4-34.9-178.500000113.9G84 I92G84-G88 PolarHBondContact O-N 3.47Å; G88-I92 PolarHBondContact O-N 2.94Å
89A87.3Confident86.8Confident3 Ų371.9 Ų71.93%0.02538%0.378CS..Hα-helixtrans-75.3-32.8179.100000112.8Y17 K20 I21 L85 V87 I92Y17-A89 HydrophobicContact CD1-CB 3.29Å; Y17-A89 HydrophobicContact CE1-CB 4.19Å; Y17-A89 HydrophobicContact CG-CB 3.67Å; K20-A89 HydrophobicContact CB-CB 4.47Å; I21-A89 HydrophobicContact CD1-CB 3.87Å; I21-A89 HydrophobicContact CG1-CB 3.97Å; L85-A89 WeakPolarHBondContact O-CB 3.45Å; L85-A89 PolarHBondContact O-N 2.91Å; V87-A89 VanDerWaalsContact C-N 3.29Å; V87-A89 PolarHBondContact O-N 3.07Å; A89-I92 VanDerWaalsContact O-CG2 3.26Å; A89-I92 WeakPolarHBondContact O-CG2 3.42Å
90N88.6Confident86.9Confident111 Ų11173.8 Ų73.859%0.59439%0.388SS*.Hα-helixtrans-78.5-34.5176.9-71.8-17.3000111.7A86 V87 I92A86-N90 WeakPolarHBondContact O-CB 3.38Å; A86-N90 PolarHBondContact O-N 3.02Å; A86-N90 PolarHBondContact O-ND2 3.27Å; V87-N90 PolarHBondContact O-N 2.8Å; N90-I92 VanDerWaalsContact C-N 3.29Å; N90-I92 PolarHBondContact O-N 2.93Å
91T88.6Confident87.1Confident52 Ų5275.3 Ų75.332%0.31939%0.392SS..SBendtrans-85.42.5178.659.20000113.6V87 F93 L94 T95V87-T91 HydrophobicContact CG1-CG2 4.2Å; V87-T91 WeakPolarHBondContact O-CG2 3.39Å; V87-T91 PolarHBondContact O-N 3.36Å; V87-T91 PolarHBondContact O-OG1 3.46Å; T91-F93 PolarHBondContact O-N 3.38Å; T91-F93 VanDerWaalsContact O-N 3.09Å; T91-L94 CarbonylContact O-C 3.5Å; T91-L94 WeakPolarHBondContact O-CA 3.35Å; T91-L94 WeakPolarHBondContact O-CB 3.28Å; T91-L94 PolarHBondContact O-N 3.23Å; T91-T95 PolarHBondContact O-N 2.87Å; T91-T95 PolarHBondContact O-OG1 3.2Å
92I88.4Confident87.4Confident29 Ų2970.8 Ų70.815%0.14936%0.36CS..Hα-helixtrans-53.7-36.9-175.3-16464.6000113.8V24 G88 A89 N90 K96V24-I92 HydrophobicContact CB-CD1 3.91Å; V24-I92 HydrophobicContact CG1-CD1 4.36Å; V24-I92 HydrophobicContact CG2-CD1 3.57Å; V24-I92 HydrophobicContact CG2-CG1 4.39Å; G88-I92 PolarHBondContact O-N 2.94Å; A89-I92 VanDerWaalsContact O-CG2 3.26Å; A89-I92 WeakPolarHBondContact O-CG2 3.42Å; N90-I92 VanDerWaalsContact C-N 3.29Å; N90-I92 PolarHBondContact O-N 2.93Å; I92-K96 WeakPolarHBondContact O-CB 3.28Å; I92-K96 WeakPolarHBondContact O-CG 3.4Å; I92-K96 PolarHBondContact O-N 2.88Å
93F88.9Confident87.9Confident169 Ų16965.4 Ų65.474%0.74134%0.342SS*.Hα-helixtrans-67.9-42.8177.8-176.6-97.2000111.3T91 K96 F97T91-F93 PolarHBondContact O-N 3.38Å; T91-F93 VanDerWaalsContact O-N 3.09Å; F93-K96 PolarHBondContact O-N 2.93Å; F93-F97 PolarHBondContact O-N 2.9Å
94L88.5Confident88.1Confident94 Ų9465.4 Ų65.449%0.49235%0.351SS..Hα-helixtrans-65.3-42.3175.7-17563.7000111.2T91 K96 F97 F98T91-L94 CarbonylContact O-C 3.5Å; T91-L94 WeakPolarHBondContact O-CA 3.35Å; T91-L94 WeakPolarHBondContact O-CB 3.28Å; T91-L94 PolarHBondContact O-N 3.23Å; L94-K96 PolarHBondContact O-N 3.47Å; L94-F97 WeakPolarHBondContact O-CB 3.38Å; L94-F97 PolarHBondContact O-N 3.44Å; L94-F98 HydrophobicContact CD1-CD2 4.15Å; L94-F98 HydrophobicContact CD1-CE2 3.83Å; L94-F98 HydrophobicContact CG-CD2 4.1Å; L94-F98 HydrophobicContact CG-CE2 4.03Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 3.23Å
95T88.6Confident88.3Confident22 Ų2266.2 Ų66.214%0.13535%0.354CS..Hα-helixtrans-60.5-45.9175.5-55.40000111.4V24 L31 L35 T91 F97 F98 M99V24-T95 HydrophobicContact CG1-CG2 4.22Å; L31-T95 HydrophobicContact CD1-CG2 3.59Å; L35-T95 HydrophobicContact CD2-CG2 4.18Å; T91-T95 PolarHBondContact O-N 2.87Å; T91-T95 PolarHBondContact O-OG1 3.2Å; T95-F97 VanDerWaalsContact C-N 3.3Å; T95-F97 PolarHBondContact O-N 2.97Å; T95-F98 PolarHBondContact O-N 3.01Å; T95-M99 HydrophobicContact CG2-SD 4.05Å; T95-M99 VanDerWaalsContact O-CG 3.28Å; T95-M99 WeakPolarHBondContact O-CG 3.24Å; T95-M99 PolarHBondContact O-N 3.4Å
96K88.3Confident88.5Confident111 Ų11164 Ų6448%0.48334%0.343SS..Hα-helixtrans-62.2-36.9175.9-76.6-178.7177.7-173.80112.5V24 I92 F93 L94 M99 L100V24-K96 HydrophobicContact CG2-CG 4.1Å; I92-K96 WeakPolarHBondContact O-CB 3.28Å; I92-K96 WeakPolarHBondContact O-CG 3.4Å; I92-K96 PolarHBondContact O-N 2.88Å; F93-K96 PolarHBondContact O-N 2.93Å; L94-K96 PolarHBondContact O-N 3.47Å; K96-M99 PolarHBondContact O-N 2.88Å; K96-L100 WeakPolarHBondContact O-CB 3.05Å; K96-L100 PolarHBondContact O-N 3.39Å
97F90.3Very high88.7Confident108 Ų10867.9 Ų67.947%0.47435%0.352SS..Hα-helixtrans-61.5-48.1173.7173.6-96.3000111.6F93 L94 T95 M99 L100 L101F93-F97 PolarHBondContact O-N 2.9Å; L94-F97 WeakPolarHBondContact O-CB 3.38Å; L94-F97 PolarHBondContact O-N 3.44Å; T95-F97 VanDerWaalsContact C-N 3.3Å; T95-F97 PolarHBondContact O-N 2.97Å; F97-M99 PolarHBondContact O-N 3.43Å; F97-L100 PolarHBondContact O-N 2.95Å; F97-L101 HydrophobicContact CE1-CD2 4.29Å; F97-L101 WeakPolarHBondContact O-CB 3.09Å; F97-L101 PolarHBondContact O-N 3.37Å
98F87.6Confident88.8Confident50 Ų5069.3 Ų69.322%0.21936%0.362CS..Hα-helixtrans-64.8-37.3176.7-85.7-74.3000113.1V42 L94 T95 L100 L101 T102V42-F98 HydrophobicContact CG2-CE1 4.28Å; V42-F98 HydrophobicContact CG2-CZ 4.27Å; L94-F98 HydrophobicContact CD1-CD2 4.15Å; L94-F98 HydrophobicContact CD1-CE2 3.83Å; L94-F98 HydrophobicContact CG-CD2 4.1Å; L94-F98 HydrophobicContact CG-CE2 4.03Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 3.23Å; T95-F98 PolarHBondContact O-N 3.01Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L101 HydrophobicContact CD1-CD2 4.42Å; F98-L101 PolarHBondContact O-N 2.86Å; F98-T102 WeakPolarHBondContact O-CB 3.35Å; F98-T102 WeakPolarHBondContact O-CG2 3.31Å; F98-T102 PolarHBondContact O-N 2.96Å; F98-T102 PolarHBondContact O-OG1 3.46Å
99M88.9Confident88.9Confident12 Ų1271.6 Ų71.66%0.05937%0.371CS..Hα-helixtrans-61-43.8172.6-69.7171.178.500111V24 Y30 L31 T95 K96 F97 F103V24-M99 HydrophobicContact CG1-CE 4.1Å; V24-M99 HydrophobicContact CG1-SD 3.58Å; V24-M99 VanDerWaalsContact CG1-SD 3.58Å; Y30-M99 HydrophobicContact CD1-CE 3.32Å; Y30-M99 HydrophobicContact CE1-CB 4.23Å; Y30-M99 HydrophobicContact CE1-CE 3.25Å; Y30-M99 HydrophobicContact CG-CE 4.41Å; Y30-M99 PolarHBondContact OH-O 3.48Å; L31-M99 HydrophobicContact CB-CE 4.42Å; L31-M99 HydrophobicContact CD1-CE 4.32Å; L31-M99 HydrophobicContact CD1-CG 4.42Å; L31-M99 HydrophobicContact CD1-SD 3.72Å; T95-M99 HydrophobicContact CG2-SD 4.05Å; T95-M99 VanDerWaalsContact O-CG 3.28Å; T95-M99 WeakPolarHBondContact O-CG 3.24Å; T95-M99 PolarHBondContact O-N 3.4Å; K96-M99 PolarHBondContact O-N 2.88Å; F97-M99 PolarHBondContact O-N 3.43Å; M99-F103 WeakPolarHBondContact O-CA 3.25Å; M99-F103 WeakPolarHBondContact O-CB 3.37Å; M99-F103 PolarHBondContact O-N 3.43Å
100L90.5Very high88.9Confident130 Ų13071.6 Ų71.668%0.68137%0.371SS*.Hα-helixtrans-65.4-42.7175.9-177.466.9000112.3K96 F97 F98 F103K96-L100 WeakPolarHBondContact O-CB 3.05Å; K96-L100 PolarHBondContact O-N 3.39Å; F97-L100 PolarHBondContact O-N 2.95Å; F98-L100 VanDerWaalsContact C-N 3.34Å; L100-F103 VanDerWaalsContact O-CB 3.22Å; L100-F103 WeakPolarHBondContact O-CB 3.32Å; L100-F103 PolarHBondContact O-N 3.03Å
101L90Very high88.7Confident93 Ų9372.3 Ų72.349%0.48737%0.369SS..Hα-helixtrans-64.6-42.6-179.2-176.568.2000112F97 F98F97-L101 HydrophobicContact CE1-CD2 4.29Å; F97-L101 WeakPolarHBondContact O-CB 3.09Å; F97-L101 PolarHBondContact O-N 3.37Å; F98-L101 HydrophobicContact CD1-CD2 4.42Å; F98-L101 PolarHBondContact O-N 2.86Å
102T88Confident88.7Confident14 Ų1474.6 Ų74.69%0.08638%0.379CS..Hα-helixtrans-87.1-7.7-178.658.20000113.4S34 L37 F98 P104 A105 S106S34-T102 WeakPolarHBondContact CA-OG1 3.37Å; S34-T102 WeakPolarHBondContact CB-OG1 3.38Å; S34-T102 PolarHBondContact OG-OG1 3.36Å; L37-T102 HydrophobicContact CB-CG2 4.25Å; F98-T102 WeakPolarHBondContact O-CB 3.35Å; F98-T102 WeakPolarHBondContact O-CG2 3.31Å; F98-T102 PolarHBondContact O-N 2.96Å; F98-T102 PolarHBondContact O-OG1 3.46Å; T102-P104 VanDerWaalsContact C-CD 3.42Å; T102-P104 VanDerWaalsContact O-N 3.15Å; T102-A105 PolarHBondContact O-N 2.92Å; T102-S106 VanDerWaalsContact C-OG 3.29Å; T102-S106 PolarHBondContact O-N 3.5Å; T102-S106 PolarHBondContact O-OG 2.92Å; T102-S106 VanDerWaalsContact O-OG 3.06Å
103F90.6Very high88.4Confident98 Ų9875.7 Ų75.743%0.4338%0.384SS..Hα-helixtrans-39.8-51.4-177.7176.3-105.7000115.9Y30 M99 L100 A105 Y107Y30-F103 HydrophobicContact CE2-CD2 4.3Å; Y30-F103 WeakPolarHBondContact OH-CD2 3.2Å; M99-F103 WeakPolarHBondContact O-CA 3.25Å; M99-F103 WeakPolarHBondContact O-CB 3.37Å; M99-F103 PolarHBondContact O-N 3.43Å; L100-F103 VanDerWaalsContact O-CB 3.22Å; L100-F103 WeakPolarHBondContact O-CB 3.32Å; L100-F103 PolarHBondContact O-N 3.03Å; F103-A105 PolarHBondContact O-N 3.02Å; F103-A105 VanDerWaalsContact O-N 3.17Å; F103-Y107 HydrophobicContact CD2-CG 4.45Å; F103-Y107 AromaticContact CE2-CD2 3.95Å; F103-Y107 HydrophobicContact CE2-CD2 3.95Å; F103-Y107 AromaticContact CE2-CG 3.88Å; F103-Y107 HydrophobicContact CE2-CG 3.88Å; F103-Y107 HydrophobicContact CZ-CG 4.42Å; F103-Y107 WeakPolarHBondContact O-CB 3.44Å; F103-Y107 PolarHBondContact O-N 2.74Å; F103-Y107 VanDerWaalsContact O-N 3.09Å
104P90.3Very high88.2Confident103 Ų10370.2 Ų70.267%0.66936%0.363SS*.Hα-helixtrans-63.3-25.4-176.123.1-33.3000113.5T102 P108T102-P104 VanDerWaalsContact C-CD 3.42Å; T102-P104 VanDerWaalsContact O-N 3.15Å; P104-P108 WeakPolarHBondContact O-CD 3.34Å; P104-P108 WeakPolarHBondContact O-CG 3.47Å
105A88.1Confident87.9Confident53 Ų5375.3 Ų75.344%0.43838%0.377SS..Hα-helixtrans-99.9-41.4177.800000112.5L37 T102 F103 P108 V109L37-A105 HydrophobicContact CD1-CB 4.23Å; T102-A105 PolarHBondContact O-N 2.92Å; F103-A105 PolarHBondContact O-N 3.02Å; F103-A105 VanDerWaalsContact O-N 3.17Å; A105-P108 WeakPolarHBondContact O-CD 3.4Å; A105-P108 WeakPolarHBondContact O-CG 3.41Å; A105-V109 VanDerWaalsContact O-CG2 3.26Å; A105-V109 WeakPolarHBondContact O-CG2 3.3Å
106S88.3Confident87.6Confident0 Ų080 Ų800%040%0.401CS..Hα-helixtrans-73.8-34.4-174.761.10000113.2Y30 S34 T102 S110Y30-S106 VanDerWaalsContact CE2-OG 3.25Å; Y30-S106 WeakPolarHBondContact CE2-OG 3.35Å; S34-S106 WeakPolarHBondContact OG-CB 3.4Å; S34-S106 PolarHBondContact OG-OG 2.91Å; T102-S106 VanDerWaalsContact C-OG 3.29Å; T102-S106 PolarHBondContact O-N 3.5Å; T102-S106 PolarHBondContact O-OG 2.92Å; T102-S106 VanDerWaalsContact O-OG 3.06Å; S106-S110 WeakPolarHBondContact O-CB 3.08Å; S106-S110 PolarHBondContact O-N 3.23Å; S106-S110 PolarHBondContact O-OG 3.16Å
107Y89.4Confident86.9Confident111 Ų11181.1 Ų81.144%0.43541%0.411SS..Hα-helixtrans-64.8-47.9-179.8-174.5-100.7000114.9F103 V109 S110 K111F103-Y107 HydrophobicContact CD2-CG 4.45Å; F103-Y107 AromaticContact CE2-CD2 3.95Å; F103-Y107 HydrophobicContact CE2-CD2 3.95Å; F103-Y107 AromaticContact CE2-CG 3.88Å; F103-Y107 HydrophobicContact CE2-CG 3.88Å; F103-Y107 HydrophobicContact CZ-CG 4.42Å; F103-Y107 WeakPolarHBondContact O-CB 3.44Å; F103-Y107 PolarHBondContact O-N 2.74Å; F103-Y107 VanDerWaalsContact O-N 3.09Å; Y107-V109 VanDerWaalsContact C-N 3.34Å; Y107-S110 PolarHBondContact O-N 3.43Å; Y107-S110 PolarHBondContact O-OG 2.84Å; Y107-K111 HydrophobicContact CE1-CD 4.46Å; Y107-K111 WeakPolarHBondContact O-CB 3.39Å; Y107-K111 PolarHBondContact O-N 3.31Å
108P90.4Very high85.6Confident69 Ų6977.4 Ų77.445%0.44840%0.404SS..Hα-helixtrans-67-36.3177.125.2-34.1000112.1P104 A105 K111 L112P104-P108 WeakPolarHBondContact O-CD 3.34Å; P104-P108 WeakPolarHBondContact O-CG 3.47Å; A105-P108 WeakPolarHBondContact O-CD 3.4Å; A105-P108 WeakPolarHBondContact O-CG 3.41Å; P108-K111 PolarHBondContact O-N 3.28Å; P108-L112 WeakPolarHBondContact O-CB 3.49Å; P108-L112 PolarHBondContact O-N 2.7Å
109V87.6Confident84.3Confident72 Ų7282.4 Ų82.444%0.43643%0.428SS..Hα-helixtrans-66.1-44.6176.9176.50000110.7A105 Y107 K111 L112 L113A105-V109 VanDerWaalsContact O-CG2 3.26Å; A105-V109 WeakPolarHBondContact O-CG2 3.3Å; Y107-V109 VanDerWaalsContact C-N 3.34Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 2.96Å; V109-L112 PolarHBondContact O-N 3.27Å; V109-L113 PolarHBondContact O-N 3.06Å
110S86.6Confident82.7Confident3 Ų387.9 Ų87.92%0.02145%0.453CS..Hα-helixtrans-64.5-39177.768.30000111.9S106 Y107 L112 L113 D114S106-S110 WeakPolarHBondContact O-CB 3.08Å; S106-S110 PolarHBondContact O-N 3.23Å; S106-S110 PolarHBondContact O-OG 3.16Å; Y107-S110 PolarHBondContact O-N 3.43Å; Y107-S110 PolarHBondContact O-OG 2.84Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.25Å; S110-L113 WeakPolarHBondContact O-CB 3.34Å; S110-L113 PolarHBondContact O-N 3.36Å; S110-D114 VanDerWaalsContact O-CG 3.26Å; S110-D114 PolarHBondContact O-N 2.93Å
111K85.4Confident80.9Confident126 Ų12688.2 Ų88.255%0.54845%0.454SS..Hα-helixtrans-68.2-33.2177.9-165.9174-174.6176.10112.8Y107 P108 V109 Y115Y107-K111 HydrophobicContact CE1-CD 4.46Å; Y107-K111 WeakPolarHBondContact O-CB 3.39Å; Y107-K111 PolarHBondContact O-N 3.31Å; P108-K111 PolarHBondContact O-N 3.28Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 2.96Å; K111-Y115 PolarHBondContact O-N 3.04Å; K111-Y115 VanDerWaalsContact O-N 3.16Å
112L87Confident79.1Confident100 Ų10086.3 Ų86.352%0.52446%0.457SS..Hα-helixtrans-67.6-40171-179.763.2000111.1P108 V109 S110 Y115 L116P108-L112 WeakPolarHBondContact O-CB 3.49Å; P108-L112 PolarHBondContact O-N 2.7Å; V109-L112 PolarHBondContact O-N 3.27Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.25Å; L112-Y115 PolarHBondContact O-N 3.36Å; L112-L116 HydrophobicContact CD1-CD1 3.93Å; L112-L116 HydrophobicContact CD1-CG 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.88Å; L112-L116 WeakPolarHBondContact O-CG 3.24Å; L112-L116 PolarHBondContact O-N 3.23Å
113L84.1Confident77.5Confident51 Ų5189.1 Ų89.127%0.26747%0.474SS..Hα-helixtrans-64.6-43.9175.8-146.874.1000111.5N29 V109 S110 Y115 L116 L117N29-L113 HydrophobicContact CB-CD2 4.49Å; V109-L113 PolarHBondContact O-N 3.06Å; S110-L113 WeakPolarHBondContact O-CB 3.34Å; S110-L113 PolarHBondContact O-N 3.36Å; L113-Y115 PolarHBondContact O-N 2.91Å; L113-L116 PolarHBondContact O-N 3.16Å; L113-L117 HydrophobicContact CD1-CD1 4.24Å; L113-L117 HydrophobicContact CG-CD1 4.48Å; L113-L117 PolarHBondContact O-N 2.98Å
114D83.6Confident75.8Confident55 Ų5589.2 Ų89.229%0.29448%0.483SS..Hα-helixtrans-59.2-34.8174.4-71-33.5000112N29 S110 G118N29-D114 WeakPolarHBondContact CB-OD1 3.47Å; N29-D114 PolarHBondContact ND2-OD1 2.85Å; S110-D114 VanDerWaalsContact O-CG 3.26Å; S110-D114 PolarHBondContact O-N 2.93Å; D114-G118 CarbonylContact O-C 3.58Å; D114-G118 WeakPolarHBondContact O-CA 3.49Å; D114-G118 PolarHBondContact O-N 3.02Å
115Y83Confident74.2Confident200 Ų20087.2 Ų87.278%0.78446%0.462SS*.Hα-helixtrans-76.3-37.1178.2-177.9-101.4000112.9K111 L112 L113K111-Y115 PolarHBondContact O-N 3.04Å; K111-Y115 VanDerWaalsContact O-N 3.16Å; L112-Y115 PolarHBondContact O-N 3.36Å; L113-Y115 PolarHBondContact O-N 2.91Å
116L81.8Confident73.2Confident120 Ų12089.5 Ų89.563%0.62847%0.467SS*.Hα-helixtrans-84.8-41.9-176.5-75.1166.2000113.6L112 L113L112-L116 HydrophobicContact CD1-CD1 3.93Å; L112-L116 HydrophobicContact CD1-CG 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.88Å; L112-L116 WeakPolarHBondContact O-CG 3.24Å; L112-L116 PolarHBondContact O-N 3.23Å; L113-L116 PolarHBondContact O-N 3.16Å
117L73.4Confident72.2Confident135 Ų13597.2 Ų97.271%0.70750%0.496SS*.Hα-helixtrans-102.1-10.2-175.4-80.870.7000112.6L113L113-L117 HydrophobicContact CD1-CD1 4.24Å; L113-L117 HydrophobicContact CG-CD1 4.48Å; L113-L117 PolarHBondContact O-N 2.98Å
118G63.7Low71.3Confident31 Ų3199.5 Ų99.532%0.3251%0.511SS..  trans82.1162.6-169.700000111.9D114D114-G118 CarbonylContact O-C 3.58Å; D114-G118 WeakPolarHBondContact O-CA 3.49Å; D114-G118 PolarHBondContact O-N 3.02Å
119Q59.4Low70.3Confident154 Ų154100.7 Ų100.772%0.7251%0.509SS*.  trans-56.8144.6168.4-71.3-169.4-31.600108.8I121Q119-I121 PolarHBondContact O-N 2.82Å
120E56.2Low69.5Low128 Ų128100.5 Ų100.560%0.59851%0.505SS*.  trans-58.484.5166.5-77.6-176153.300108.5G28 G122G28-E120 WeakPolarHBondContact CA-OE2 3.32Å; E120-G122 VanDerWaalsContact C-N 3.32Å; E120-G122 PolarHBondContact O-N 2.94Å
121I51.8Low68.9Low137 Ų137101.7 Ų101.770%0.70351%0.511SS*.  trans-64.7103172.1-64.1166.1000103.5Q119 T123 V124Q119-I121 PolarHBondContact O-N 2.82Å; I121-T123 PolarHBondContact O-N 2.65Å; I121-V124 HydrophobicContact CG2-CG2 4.02Å
122G53.4Low68.2Low53 Ų53100.5 Ų100.555%0.54651%0.507SS..  trans-45.1130.6175.300000108.5E120 V124E120-G122 VanDerWaalsContact C-N 3.32Å; E120-G122 PolarHBondContact O-N 2.94Å; G122-V124 PolarHBondContact O-N 2.61Å
123T53.4Low67.5Low73 Ų7399.7 Ų99.745%0.44850%0.502SS..  trans-38.399.9-17639.80000111.1I121 Y125I121-T123 PolarHBondContact O-N 2.65Å; T123-Y125 WeakPolarHBondContact O-CD2 3.44Å; T123-Y125 PolarHBondContact O-N 2.96Å
124V54.2Low66.8Low100 Ų10099 Ų9961%0.60650%0.499SS*.  trans-67.8110.4173-179.10000105.2I121 G122 N126I121-V124 HydrophobicContact CG2-CG2 4.02Å; G122-V124 PolarHBondContact O-N 2.61Å; V124-N126 PolarHBondContact O-N 3.21Å
125Y58.2Low66.1Low60 Ų60102 Ų10224%0.23551%0.506CS..  trans-73.2102.5174.3-72.7-97.3000107.2M1 T123 K129 M133M1-Y125 HydrophobicContact SD-CD2 4.07Å; M1-Y125 HydrophobicContact SD-CE2 4.46Å; T123-Y125 WeakPolarHBondContact O-CD2 3.44Å; T123-Y125 PolarHBondContact O-N 2.96Å; Y125-K129 HydrophobicContact CD1-CB 4.44Å; Y125-K129 HydrophobicContact CD1-CD 3.78Å; Y125-K129 HydrophobicContact CD1-CG 3.86Å; Y125-K129 HydrophobicContact CE1-CD 4.18Å; Y125-K129 HydrophobicContact CE1-CG 4.39Å; Y125-K129 HydrophobicContact CG-CD 4.45Å; Y125-M133 HydrophobicContact CE1-SD 4.01Å
126N66.9Low65.6Low102 Ų10297.1 Ų97.155%0.54550%0.497SS..  trans-60.2155.6166.3-77.2-15.6000109.7V124 E128 K129 L130V124-N126 PolarHBondContact O-N 3.21Å; N126-E128 PolarHBondContact O-N 3.07Å; N126-K129 WeakPolarHBondContact O-CA 3.47Å; N126-K129 WeakPolarHBondContact O-CB 3.27Å; N126-K129 PolarHBondContact O-N 3.18Å; N126-L130 PolarHBondContact O-N 3.44Å
127R67.3Low64.9Low162 Ų16293.6 Ų93.661%0.61148%0.48SS*.Hα-helixtrans-50.4-43.2177-66.5-175.6-179.8100.82.2111.9K129 L130 L131R127-K129 PolarHBondContact O-N 2.93Å; R127-L130 WeakPolarHBondContact O-CB 3.42Å; R127-L130 PolarHBondContact O-N 3.26Å; R127-L131 WeakPolarHBondContact O-CB 3.39Å; R127-L131 PolarHBondContact O-N 3.2Å
128E69.1Low64.4Low158 Ų15890.5 Ų90.574%0.73846%0.464SS*.Hα-helixtrans-59.6-43.7175.9-65.3166-166.100112.1N126 L131 E132N126-E128 PolarHBondContact O-N 3.07Å; E128-L131 PolarHBondContact O-N 3.05Å; E128-E132 WeakPolarHBondContact O-CB 3.34Å; E128-E132 PolarHBondContact O-N 2.66Å
129K70.1Confident64.1Low95 Ų9593.9 Ų93.941%0.41348%0.481SS..Hα-helixtrans-69.1-34.8178.3-166.7176.8-179.6178.50112.2Y125 N126 R127 M133Y125-K129 HydrophobicContact CD1-CB 4.44Å; Y125-K129 HydrophobicContact CD1-CD 3.78Å; Y125-K129 HydrophobicContact CD1-CG 3.86Å; Y125-K129 HydrophobicContact CE1-CD 4.18Å; Y125-K129 HydrophobicContact CE1-CG 4.39Å; Y125-K129 HydrophobicContact CG-CD 4.45Å; N126-K129 WeakPolarHBondContact O-CA 3.47Å; N126-K129 WeakPolarHBondContact O-CB 3.27Å; N126-K129 PolarHBondContact O-N 3.18Å; R127-K129 PolarHBondContact O-N 2.93Å; K129-M133 VanDerWaalsContact O-CB 3.28Å; K129-M133 WeakPolarHBondContact O-CB 3.35Å; K129-M133 PolarHBondContact O-N 2.76Å
130L71.9Confident63.9Low68 Ų6896.6 Ų96.636%0.35649%0.486SS..Hα-helixtrans-66.3-45.6173.9-172.278.5000110.8N126 R127 M133 L134 L155N126-L130 PolarHBondContact O-N 3.44Å; R127-L130 WeakPolarHBondContact O-CB 3.42Å; R127-L130 PolarHBondContact O-N 3.26Å; L130-M133 HydrophobicContact CD1-CE 4.18Å; L130-M133 PolarHBondContact O-N 3.03Å; L130-L134 WeakPolarHBondContact O-CG 3.24Å; L130-L134 PolarHBondContact O-N 3.36Å; L130-L155 HydrophobicContact CD2-CD1 4.39Å
131L72Confident63.9Low27 Ų2794 Ų9414%0.14148%0.476CS..Hα-helixtrans-62.1-44.9177.3-168.974.2000111.2R127 E128 M133 L134 R135 Q152 L155R127-L131 WeakPolarHBondContact O-CB 3.39Å; R127-L131 PolarHBondContact O-N 3.2Å; E128-L131 PolarHBondContact O-N 3.05Å; L131-M133 VanDerWaalsContact C-N 3.35Å; L131-M133 PolarHBondContact O-N 2.96Å; L131-L134 PolarHBondContact O-N 3Å; L131-R135 WeakPolarHBondContact O-CG 3.15Å; L131-R135 PolarHBondContact O-N 3.49Å; L131-Q152 HydrophobicContact CD1-CB 4.07Å; L131-Q152 HydrophobicContact CD1-CG 3.74Å; L131-L155 HydrophobicContact CD1-CD1 4.11Å
132E71.7Confident64.2Low101 Ų10195.5 Ų95.547%0.47249%0.485SS..Hα-helixtrans-66.2-38.3178.7-161.462.4-16200111.8E128 L134 R135 V136E128-E132 WeakPolarHBondContact O-CB 3.34Å; E128-E132 PolarHBondContact O-N 2.66Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.93Å; E132-R135 PolarHBondContact O-N 3.45Å; E132-V136 HydrophobicContact CG-CG2 4.45Å; E132-V136 WeakPolarHBondContact O-CB 3.45Å; E132-V136 VanDerWaalsContact O-CG2 3.26Å; E132-V136 WeakPolarHBondContact O-CG2 3.34Å; E132-V136 PolarHBondContact O-N 3.21Å
133M71.7Confident64.6Low83 Ų8395.7 Ų95.741%0.40947%0.474SS..Hα-helixtrans-62-40.9174.1-171.6179.477.600111.6Y125 K129 L130 L131 T137Y125-M133 HydrophobicContact CE1-SD 4.01Å; K129-M133 VanDerWaalsContact O-CB 3.28Å; K129-M133 WeakPolarHBondContact O-CB 3.35Å; K129-M133 PolarHBondContact O-N 2.76Å; L130-M133 HydrophobicContact CD1-CE 4.18Å; L130-M133 PolarHBondContact O-N 3.03Å; L131-M133 VanDerWaalsContact C-N 3.35Å; L131-M133 PolarHBondContact O-N 2.96Å; M133-T137 WeakPolarHBondContact O-CB 3.46Å; M133-T137 PolarHBondContact O-N 3.4Å; M133-T137 VanDerWaalsContact O-N 3.15Å; M133-T137 PolarHBondContact O-OG1 3.49Å
134L70.3Confident65.4Low38 Ų3896 Ų9620%0.19948%0.475CS..Hα-helixtrans-64-45175.2-73169.2000111.4L130 L131 E132 V136 T137 D138 L148 I151L130-L134 WeakPolarHBondContact O-CG 3.24Å; L130-L134 PolarHBondContact O-N 3.36Å; L131-L134 PolarHBondContact O-N 3Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.93Å; L134-V136 PolarHBondContact O-N 2.97Å; L134-T137 PolarHBondContact O-N 3.29Å; L134-D138 PolarHBondContact O-N 3.24Å; L134-L148 HydrophobicContact CB-CD2 4.44Å; L134-L148 HydrophobicContact CD2-CD2 4.14Å; L134-I151 HydrophobicContact CD1-CG2 3.89Å
135R69.3Low66.4Low118 Ų11897.9 Ų97.945%0.44548%0.475SS..Hα-helixtrans-62.5-41.6177.7-73.7179.5177.11730113.3L131 E132 T137 D138 E156L131-R135 WeakPolarHBondContact O-CG 3.15Å; L131-R135 PolarHBondContact O-N 3.49Å; E132-R135 PolarHBondContact O-N 3.45Å; R135-T137 VanDerWaalsContact C-N 3.27Å; R135-T137 PolarHBondContact O-N 2.65Å; R135-D138 VanDerWaalsContact O-CB 3.26Å; R135-D138 WeakPolarHBondContact O-CB 3.4Å; R135-D138 PolarHBondContact O-N 3.15Å; R135-E156 IonicContact NH2-OE1 3.25Å
136V71.5Confident67.2Low97 Ų97100.8 Ų100.859%0.58849%0.491SS*.Hα-helixtrans-71.8-24.3179.5173.40000112E132 L134E132-V136 HydrophobicContact CG-CG2 4.45Å; E132-V136 WeakPolarHBondContact O-CB 3.45Å; E132-V136 VanDerWaalsContact O-CG2 3.26Å; E132-V136 WeakPolarHBondContact O-CG2 3.34Å; E132-V136 PolarHBondContact O-N 3.21Å; L134-V136 PolarHBondContact O-N 2.97Å
137T67.1Low67.8Low46 Ų46100.5 Ų100.528%0.28249%0.486SS..Hα-helixtrans-87.8-8.5179.2-44.40000112.7M133 L134 R135 P139 Y140 N141M133-T137 WeakPolarHBondContact O-CB 3.46Å; M133-T137 PolarHBondContact O-N 3.4Å; M133-T137 VanDerWaalsContact O-N 3.15Å; M133-T137 PolarHBondContact O-OG1 3.49Å; L134-T137 PolarHBondContact O-N 3.29Å; R135-T137 VanDerWaalsContact C-N 3.27Å; R135-T137 PolarHBondContact O-N 2.65Å; T137-P139 VanDerWaalsContact C-CD 3.48Å; T137-Y140 PolarHBondContact O-N 2.9Å; T137-N141 HydrophobicContact CG2-CB 4.02Å; T137-N141 WeakPolarHBondContact CG2-ND2 3.46Å; T137-N141 PolarHBondContact O-N 3.18Å
138D62.8Low68.4Low70 Ų7093.7 Ų93.737%0.37446%0.462SS..THydrogen-bonded Turntrans-48.3-43.1179.7-167.624.7000114.7L134 R135 Y140 L148L134-D138 PolarHBondContact O-N 3.24Å; R135-D138 VanDerWaalsContact O-CB 3.26Å; R135-D138 WeakPolarHBondContact O-CB 3.4Å; R135-D138 PolarHBondContact O-N 3.15Å; D138-Y140 VanDerWaalsContact C-N 3.3Å; D138-Y140 PolarHBondContact O-N 2.9Å; D138-L148 HydrophobicContact CB-CD1 4.35Å; D138-L148 VanDerWaalsContact OD1-CD1 3.3Å; D138-L148 WeakPolarHBondContact OD1-CD1 3Å
139P58.8Low69.1Low102 Ų10289.1 Ų89.166%0.66244%0.443SS*.THydrogen-bonded Turntrans-75.8-9.8177.626.7-31.7000115.2T137T137-P139 VanDerWaalsContact C-CD 3.48Å
140Y53.9Low70Confident210 Ų21088.1 Ų88.182%0.82444%0.441SS*.THydrogen-bonded Turntrans-119.6-12.7-173.2-68.4-77.6000114.4T137 D138T137-Y140 PolarHBondContact O-N 2.9Å; D138-Y140 VanDerWaalsContact C-N 3.3Å; D138-Y140 PolarHBondContact O-N 2.9Å
141N56.3Low70.7Confident75 Ų7588.2 Ų88.240%0.40144%0.441SS..  trans-91.8143-179.5-109.3-8.9000111.5T137 L143T137-N141 HydrophobicContact CG2-CB 4.02Å; T137-N141 WeakPolarHBondContact CG2-ND2 3.46Å; T137-N141 PolarHBondContact O-N 3.18Å; N141-L143 HydrophobicContact CB-CB 4.22Å; N141-L143 HydrophobicContact CB-CD1 4.23Å; N141-L143 HydrophobicContact CB-CG 4.17Å; N141-L143 WeakPolarHBondContact ND2-CD1 3.41Å; N141-L143 PolarHBondContact O-N 2.87Å
142D57.6Low71.3Confident167 Ų16789 Ų8989%0.89344%0.444SS*.  trans-7421169.8-155.220.8000112
143L61.6Low72.1Confident58 Ų5884.2 Ų84.230%0.30442%0.422SS..  trans-85.2127178.3-71.3171.5000108.3N141 K145 L148N141-L143 HydrophobicContact CB-CB 4.22Å; N141-L143 HydrophobicContact CB-CD1 4.23Å; N141-L143 HydrophobicContact CB-CG 4.17Å; N141-L143 WeakPolarHBondContact ND2-CD1 3.41Å; N141-L143 PolarHBondContact O-N 2.87Å; L143-K145 PolarHBondContact O-N 2.92Å; L143-L148 HydrophobicContact CB-CD1 4.2Å; L143-L148 HydrophobicContact CB-CD2 4.34Å; L143-L148 HydrophobicContact CB-CG 3.98Å; L143-L148 HydrophobicContact CD1-CD2 3.66Å; L143-L148 HydrophobicContact CD1-CG 4.25Å
144V70.3Confident73Confident78 Ų7882.9 Ų82.947%0.47342%0.424SS..  trans-64.5132.7175.31750000107.4E146 E147 L148V144-E146 HydrophobicContact CG1-CB 4.15Å; V144-E146 WeakPolarHBondContact CG1-OE2 3.35Å; V144-E146 PolarHBondContact O-N 3.41Å; V144-E147 HydrophobicContact CB-CG 4.07Å; V144-E147 WeakPolarHBondContact O-CA 3.43Å; V144-E147 WeakPolarHBondContact O-CB 3.45Å; V144-E147 PolarHBondContact O-N 2.96Å; V144-L148 PolarHBondContact O-N 3.21Å
145K75.2Confident73.8Confident140 Ų14083.8 Ų83.861%0.60943%0.428SS*.Hα-helixtrans-53.6-34.8-174.2-72.9-177.7175.6-177.80112.3L143 E147 L148 N149L143-K145 PolarHBondContact O-N 2.92Å; K145-E147 VanDerWaalsContact C-N 3.34Å; K145-E147 PolarHBondContact O-N 3.41Å; K145-L148 PolarHBondContact O-N 3.48Å; K145-N149 WeakPolarHBondContact O-CB 3.39Å; K145-N149 VanDerWaalsContact O-CG 3.24Å; K145-N149 PolarHBondContact O-N 2.93Å
146E76Confident74.7Confident121 Ų12179.7 Ų79.757%0.56542%0.415SS*.Hα-helixtrans-62.3-37.2175.9-64.675.7-17300112.3V144 N149 I150V144-E146 HydrophobicContact CG1-CB 4.15Å; V144-E146 WeakPolarHBondContact CG1-OE2 3.35Å; V144-E146 PolarHBondContact O-N 3.41Å; E146-N149 WeakPolarHBondContact O-CB 3.26Å; E146-N149 PolarHBondContact O-N 3.44Å; E146-I150 WeakPolarHBondContact O-CG1 3.37Å; E146-I150 PolarHBondContact O-N 2.91Å; E146-I150 VanDerWaalsContact O-N 3.16Å
147E78.8Confident75.6Confident97 Ų9775.9 Ų75.945%0.45339%0.391SS..Hα-helixtrans-70-40.9176.8-63.5179.5153.400111.5V144 K145 N149 I150 I151V144-E147 HydrophobicContact CB-CG 4.07Å; V144-E147 WeakPolarHBondContact O-CA 3.43Å; V144-E147 WeakPolarHBondContact O-CB 3.45Å; V144-E147 PolarHBondContact O-N 2.96Å; K145-E147 VanDerWaalsContact C-N 3.34Å; K145-E147 PolarHBondContact O-N 3.41Å; E147-N149 VanDerWaalsContact C-N 3.32Å; E147-N149 PolarHBondContact O-N 3.36Å; E147-I150 PolarHBondContact O-N 3.29Å; E147-I151 VanDerWaalsContact O-CG1 3.3Å; E147-I151 WeakPolarHBondContact O-CG1 3.26Å; E147-I151 PolarHBondContact O-N 3.43Å
148L81.5Confident76.6Confident18 Ų1881 Ų819%0.09441%0.405CS..Hα-helixtrans-62-41.9174.9-75.7174.6000111.6L134 D138 L143 V144 K145 I150 I151 Q152L134-L148 HydrophobicContact CB-CD2 4.44Å; L134-L148 HydrophobicContact CD2-CD2 4.14Å; D138-L148 HydrophobicContact CB-CD1 4.35Å; D138-L148 VanDerWaalsContact OD1-CD1 3.3Å; D138-L148 WeakPolarHBondContact OD1-CD1 3Å; L143-L148 HydrophobicContact CB-CD1 4.2Å; L143-L148 HydrophobicContact CB-CD2 4.34Å; L143-L148 HydrophobicContact CB-CG 3.98Å; L143-L148 HydrophobicContact CD1-CD2 3.66Å; L143-L148 HydrophobicContact CD1-CG 4.25Å; V144-L148 PolarHBondContact O-N 3.21Å; K145-L148 PolarHBondContact O-N 3.48Å; L148-I150 VanDerWaalsContact C-N 3.35Å; L148-I150 PolarHBondContact O-N 3.4Å; L148-I151 PolarHBondContact O-N 3.44Å; L148-Q152 WeakPolarHBondContact O-CB 3.44Å; L148-Q152 PolarHBondContact O-N 3.24Å
149N83.8Confident77.9Confident63 Ų6382 Ų8234%0.33741%0.413SS..Hα-helixtrans-58.5-45.4176-77.9-11000112.1K145 E146 E147 Q152 G153 K294K145-N149 WeakPolarHBondContact O-CB 3.39Å; K145-N149 VanDerWaalsContact O-CG 3.24Å; K145-N149 PolarHBondContact O-N 2.93Å; E146-N149 WeakPolarHBondContact O-CB 3.26Å; E146-N149 PolarHBondContact O-N 3.44Å; E147-N149 VanDerWaalsContact C-N 3.32Å; E147-N149 PolarHBondContact O-N 3.36Å; N149-Q152 PolarHBondContact O-N 2.81Å; N149-G153 PolarHBondContact O-N 2.82Å; N149-K294 HydrophobicContact CB-CB 4.06Å; N149-K294 HydrophobicContact CB-CG 4.29Å
150I88.8Confident79.5Confident74 Ų7479.5 Ų79.538%0.37939%0.392SS..Hα-helixtrans-63.3-45.4177.6-65.8162.5000111.2E146 E147 L148 Q152 G153 A154 I292 I293E146-I150 WeakPolarHBondContact O-CG1 3.37Å; E146-I150 PolarHBondContact O-N 2.91Å; E146-I150 VanDerWaalsContact O-N 3.16Å; E147-I150 PolarHBondContact O-N 3.29Å; L148-I150 VanDerWaalsContact C-N 3.35Å; L148-I150 PolarHBondContact O-N 3.4Å; I150-Q152 VanDerWaalsContact C-N 3.32Å; I150-Q152 PolarHBondContact O-N 3.15Å; I150-G153 PolarHBondContact O-N 2.68Å; I150-A154 WeakPolarHBondContact O-CB 3.43Å; I150-A154 PolarHBondContact O-N 3.22Å; I150-I292 WeakPolarHBondContact CA-O 3.17Å; I150-I293 HydrophobicContact CG1-CB 4.4Å; I150-I293 HydrophobicContact CG1-CG1 4.47Å; I150-I293 HydrophobicContact CG1-CG2 4.1Å
151I85.8Confident81.5Confident70 Ų7070.6 Ų70.636%0.35936%0.36SS..Hα-helixtrans-62.1-43.5178.9-66.3165.7000110.3L134 E147 L148 A154 L155L134-I151 HydrophobicContact CD1-CG2 3.89Å; E147-I151 VanDerWaalsContact O-CG1 3.3Å; E147-I151 WeakPolarHBondContact O-CG1 3.26Å; E147-I151 PolarHBondContact O-N 3.43Å; L148-I151 PolarHBondContact O-N 3.44Å; I151-A154 PolarHBondContact O-N 2.91Å; I151-L155 HydrophobicContact CG2-CD1 4.24Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 3.06Å; I151-L155 VanDerWaalsContact O-N 3.1Å
152Q84.5Confident83.4Confident43 Ų4367 Ų6720%0.20134%0.341CS..Hα-helixtrans-62.9-47.7176.7176.1173.1-11.300111.4L131 L148 N149 I150 A154 L155 E156L131-Q152 HydrophobicContact CD1-CB 4.07Å; L131-Q152 HydrophobicContact CD1-CG 3.74Å; L148-Q152 WeakPolarHBondContact O-CB 3.44Å; L148-Q152 PolarHBondContact O-N 3.24Å; N149-Q152 PolarHBondContact O-N 2.81Å; I150-Q152 VanDerWaalsContact C-N 3.32Å; I150-Q152 PolarHBondContact O-N 3.15Å; Q152-A154 VanDerWaalsContact C-N 3.34Å; Q152-A154 PolarHBondContact O-N 3.06Å; Q152-L155 PolarHBondContact O-N 2.64Å; Q152-E156 HydrophobicContact CG-CG 4.41Å; Q152-E156 VanDerWaalsContact CG-OE1 3.24Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.26Å; Q152-E156 PolarHBondContact NE2-OE1 3.23Å; Q152-E156 WeakPolarHBondContact O-CG 3.48Å; Q152-E156 PolarHBondContact O-N 2.7Å
153G89.4Confident85.1Confident0 Ų062.7 Ų62.70%032%0.315CS..Hα-helixtrans-61-41.4177.900000112.7N149 I150 L155 E156 L157 I292N149-G153 PolarHBondContact O-N 2.82Å; I150-G153 PolarHBondContact O-N 2.68Å; G153-L155 VanDerWaalsContact C-N 3.32Å; G153-L155 PolarHBondContact O-N 2.82Å; G153-E156 PolarHBondContact O-N 3.25Å; G153-L157 PolarHBondContact O-N 2.96Å; G153-I292 WeakPolarHBondContact CA-O 3.42Å
154A89.2Confident86.6Confident55 Ų5564.1 Ų64.146%0.45532%0.323SS..Hα-helixtrans-61.8-37.5174.900000113I150 I151 Q152I150-A154 WeakPolarHBondContact O-CB 3.43Å; I150-A154 PolarHBondContact O-N 3.22Å; I151-A154 PolarHBondContact O-N 2.91Å; Q152-A154 VanDerWaalsContact C-N 3.34Å; Q152-A154 PolarHBondContact O-N 3.06Å
155L87.3Confident87.7Confident57 Ų5760.8 Ų60.830%0.29830%0.303SS..Hα-helixtrans-71.2-36.3175.7-70.7171.4000112.3L130 L131 I151 Q152 G153L130-L155 HydrophobicContact CD2-CD1 4.39Å; L131-L155 HydrophobicContact CD1-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CD1 4.24Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 3.06Å; I151-L155 VanDerWaalsContact O-N 3.1Å; Q152-L155 PolarHBondContact O-N 2.64Å; G153-L155 VanDerWaalsContact C-N 3.32Å; G153-L155 PolarHBondContact O-N 2.82Å
156E88.2Confident88.6Confident33 Ų3355.4 Ų55.415%0.15428%0.28CS..Hα-helixtrans-75.7-21.8179.8-73179.7-164.900113.5R135 Q152 G153 R158 T159 K160 K294R135-E156 IonicContact NH2-OE1 3.25Å; Q152-E156 HydrophobicContact CG-CG 4.41Å; Q152-E156 VanDerWaalsContact CG-OE1 3.24Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.26Å; Q152-E156 PolarHBondContact NE2-OE1 3.23Å; Q152-E156 WeakPolarHBondContact O-CG 3.48Å; Q152-E156 PolarHBondContact O-N 2.7Å; G153-E156 PolarHBondContact O-N 3.25Å; E156-R158 PolarHBondContact O-N 3.16Å; E156-R158 VanDerWaalsContact O-N 3.16Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 PolarHBondContact O-OG1 3.01Å; E156-K160 PolarHBondContact O-N 2.9Å; E156-K294 IonicContact OE2-NZ 2.82Å; E156-K294 PolarHBondContact OE2-NZ 3.42Å
157L90.4Very high89.4Confident16 Ų1650.5 Ų50.58%0.08426%0.259CS..THydrogen-bonded Turntrans-54.4-36.5-179.2-165.774.9000113.2G153 T159 L247 D248 L251 V288 I292G153-L157 PolarHBondContact O-N 2.96Å; L157-T159 VanDerWaalsContact C-N 3.32Å; L157-L247 HydrophobicContact CD1-CB 3.29Å; L157-L247 HydrophobicContact CD1-CD1 4.04Å; L157-L247 HydrophobicContact CD1-CG 4.32Å; L157-L247 HydrophobicContact CG-CB 3.78Å; L157-D248 HydrophobicContact CD2-CB 4.03Å; L157-D248 HydrophobicContact CG-CB 4.22Å; L157-L251 HydrophobicContact CD2-CD2 4.07Å; L157-V288 HydrophobicContact CD1-CG1 4.1Å; L157-I292 HydrophobicContact CD1-CD1 3.99Å; L157-I292 HydrophobicContact CD1-CG1 3.72Å; L157-I292 HydrophobicContact CD2-CD1 4Å; L157-I292 HydrophobicContact CD2-CG1 4.31Å
158R88.3Confident90.2Very high153 Ų15347.3 Ų47.358%0.57725%0.246SC*.THydrogen-bonded Turntrans-75.8-21.6179.6-174.3167.2176.5153.43.4113.2E156E156-R158 PolarHBondContact O-N 3.16Å; E156-R158 VanDerWaalsContact O-N 3.16Å
159T89.4Confident90.8Very high91 Ų9147.6 Ų47.656%0.55825%0.248SC*.THydrogen-bonded Turntrans-93.1-40.1-179.950.50000111.9E156 L157 K246E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 PolarHBondContact O-OG1 3.01Å; L157-T159 VanDerWaalsContact C-N 3.32Å; T159-K246 PolarHBondContact O-NZ 3.48Å
160K93.5Very high91.2Very high50 Ų5054 Ų5422%0.21727%0.267CS..  trans-69.5152.3-179.7-74-167.9169.2-155.60112.2E156 K246 L247 E291E156-K160 PolarHBondContact O-N 2.9Å; K160-K246 WeakPolarHBondContact O-CD 3.49Å; K160-L247 HydrophobicContact CB-CD1 3.6Å; K160-L247 HydrophobicContact CB-CG 4.07Å; K160-L247 HydrophobicContact CD-CD1 4.41Å; K160-L247 PolarHBondContact O-N 2.91Å; K160-E291 HydrophobicContact CD-CG 3.83Å; K160-E291 WeakPolarHBondContact CD-OE1 3.37Å; K160-E291 VanDerWaalsContact CE-OE1 3.27Å; K160-E291 WeakPolarHBondContact CE-OE1 3.34Å; K160-E291 IonicContact NZ-OE1 2.94Å; K160-E291 PolarHBondContact NZ-OE1 2.85Å; K160-E291 IonicContact NZ-OE2 3.41Å; K160-E291 PolarHBondContact NZ-OE2 3.39Å
161T95.9Very high91.3Very high23 Ų2353.3 Ų53.314%0.14126%0.264CS..BIsolated β-bridgetrans-112.5163.8179.859.20000110.5E163 D164 T245 K246 L247T161-E163 PolarHBondContact O-N 3.19Å; T161-D164 PolarHBondContact N-OD2 2.7Å; T161-D164 WeakPolarHBondContact O-CB 3.25Å; T161-D164 PolarHBondContact O-N 3.41Å; T161-D164 VanDerWaalsContact O-N 3.12Å; T161-D164 PolarHBondContact OG1-OD2 3.42Å; T161-T245 CarbonylContact C-O 3.35Å; T161-T245 WeakPolarHBondContact CA-O 3.32Å; T161-K246 HydrophobicContact CG2-CD 4.05Å; T161-K246 VanDerWaalsContact CG2-NZ 3.32Å; T161-L247 WeakPolarHBondContact O-CD2 3.49Å
162V95.6Very high91.6Very high0 Ų050.4 Ų50.40%025%0.25CC..Hα-helixtrans-57.8-34.7173.9171.90000111.5D164 V165 M166 V241 T245 L247 M250 V264 V283V162-D164 PolarHBondContact O-N 2.78Å; V162-V165 WeakPolarHBondContact O-CG2 3.49Å; V162-V165 PolarHBondContact O-N 3.46Å; V162-M166 WeakPolarHBondContact O-CB 3.22Å; V162-M166 PolarHBondContact O-N 3.39Å; V162-V241 HydrophobicContact CG1-CG2 4.38Å; V162-T245 WeakPolarHBondContact CG2-O 3.3Å; V162-T245 PolarHBondContact N-O 3.33Å; V162-L247 HydrophobicContact CG2-CD2 4.09Å; V162-M250 HydrophobicContact CG2-CB 4.09Å; V162-M250 HydrophobicContact CG2-CG 3.96Å; V162-M250 HydrophobicContact CG2-SD 3.97Å; V162-V264 HydrophobicContact CG1-CB 4.28Å; V162-V264 HydrophobicContact CG1-CG1 3.84Å; V162-V264 HydrophobicContact CG1-CG2 3.39Å; V162-V283 HydrophobicContact CG1-CB 3.94Å; V162-V283 HydrophobicContact CG1-CG1 3.72Å; V162-V283 HydrophobicContact CG1-CG2 4.3Å
163E94.6Very high92.1Very high77 Ų7750.8 Ų50.836%0.3625%0.251SS..Hα-helixtrans-59.6-30.1176.9-171.9167171.400113.7T161 V165 M166 N243 R266T161-E163 PolarHBondContact O-N 3.19Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 2.87Å; E163-M166 HydrophobicContact CG-CE 3.88Å; E163-N243 HydrophobicContact CB-CB 4.34Å; E163-N243 PolarHBondContact N-O 2.93Å; E163-N243 PolarHBondContact OE2-ND2 3.36Å; E163-R266 IonicContact OE1-CZ 3.99Å; E163-R266 IonicContact OE1-NH2 2.72Å; E163-R266 PolarHBondContact OE1-NH2 3.27Å; E163-R266 IonicContact OE2-CZ 3.92Å; E163-R266 IonicContact OE2-NH2 2.77Å; E163-R266 PolarHBondContact OE2-NH2 3.17Å
164D93Very high92.3Very high87 Ų8751.4 Ų51.447%0.46525%0.254SS..Hα-helixtrans-71.7-28.7-178.6-60.7-54000112.7T161 V162T161-D164 PolarHBondContact N-OD2 2.7Å; T161-D164 WeakPolarHBondContact O-CB 3.25Å; T161-D164 PolarHBondContact O-N 3.41Å; T161-D164 VanDerWaalsContact O-N 3.12Å; T161-D164 PolarHBondContact OG1-OD2 3.42Å; V162-D164 PolarHBondContact O-N 2.78Å
165V92.9Very high92.6Very high9 Ų949.3 Ų49.36%0.05524%0.235CC..Hα-helixtrans-110.5-19.2-173.7-590000113.5V162 E163 L247 V283 E291V162-V165 WeakPolarHBondContact O-CG2 3.49Å; V162-V165 PolarHBondContact O-N 3.46Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 2.87Å; V165-L247 HydrophobicContact CG1-CD1 3.78Å; V165-L247 HydrophobicContact CG1-CD2 4.48Å; V165-L247 HydrophobicContact CG2-CD1 4.38Å; V165-L247 HydrophobicContact CG2-CD2 3.58Å; V165-V283 HydrophobicContact CG2-CG2 3.99Å; V165-E291 HydrophobicContact CG1-CB 4Å; V165-E291 HydrophobicContact CG1-CG 3.8Å
166M94.1Very high93Very high26 Ų2648.6 Ų48.613%0.12823%0.234CC..PPolyproline II helixtrans-57.8148.7-173.970.2177.5-174.400113.2V162 E163 P168 V264 L280 I282V162-M166 WeakPolarHBondContact O-CB 3.22Å; V162-M166 PolarHBondContact O-N 3.39Å; E163-M166 HydrophobicContact CG-CE 3.88Å; M166-P168 WeakPolarHBondContact O-CD 3.5Å; M166-V264 HydrophobicContact CB-CG2 4.08Å; M166-V264 HydrophobicContact SD-CB 4.12Å; M166-V264 HydrophobicContact SD-CG1 3.86Å; M166-V264 HydrophobicContact SD-CG2 4.44Å; M166-L280 HydrophobicContact CE-CB 3.88Å; M166-L280 HydrophobicContact CE-CD1 4.2Å; M166-L280 HydrophobicContact SD-CB 3.89Å; M166-L280 HydrophobicContact SD-CD1 4.48Å; M166-I282 WeakPolarHBondContact CA-O 3.37Å
167T93.4Very high93.2Very high19 Ų1947.1 Ų47.112%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-82.5121166.4-66.60000109.1D171 G281 I282T167-D171 HydrophobicContact CG2-CB 4.29Å; T167-G281 VanDerWaalsContact O-CA 3.24Å; T167-G281 WeakPolarHBondContact O-CA 3.27Å; T167-I282 PolarHBondContact N-O 2.95Å; T167-I282 PolarHBondContact O-N 3.3Å
168P94.5Very high93.3Very high30 Ų3052.2 Ų52.220%0.19526%0.255CS..EExtended strand (participates in β ladder)trans-59.3145179.5-24.634.7000112.5M166 R170 D171 C172M166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-R170 HydrophobicContact CB-CG 3.93Å; P168-R170 PolarHBondContact O-N 3.29Å; P168-D171 PolarHBondContact O-N 3.44Å; P168-C172 PolarHBondContact O-N 3.19Å; P168-C172 PolarHBondContact O-SG 3.06Å
169L94.1Very high93.6Very high23 Ų2345.8 Ų45.812%0.1223%0.233CC..G310 helixtrans-53.5-34.6-178-173.165.2000113.6D171 C172 M174 I207 V279 L280L169-D171 VanDerWaalsContact C-N 3.28Å; L169-D171 PolarHBondContact O-N 3.3Å; L169-C172 WeakPolarHBondContact O-CB 3.27Å; L169-C172 PolarHBondContact O-N 3.36Å; L169-M174 HydrophobicContact CD1-CE 3.88Å; L169-M174 HydrophobicContact CD1-SD 3.65Å; L169-I207 HydrophobicContact CD1-CD1 4.4Å; L169-V279 HydrophobicContact CD1-CG1 4.2Å; L169-V279 HydrophobicContact CD2-CG1 4.35Å; L169-L280 WeakPolarHBondContact CB-O 3.24Å; L169-L280 PolarHBondContact N-O 3.01Å
170R92.2Very high93.8Very high199 Ų19945.8 Ų45.875%0.75123%0.228SC*.G310 helixtrans-62.9-29.5177.959.8173.1179.1-109.2-1.7114.2P168P168-R170 HydrophobicContact CB-CG 3.93Å; P168-R170 PolarHBondContact O-N 3.29Å
171D91.2Very high93.7Very high59 Ų5943.4 Ų43.432%0.31622%0.218SC..G310 helixtrans-98-2.8-178.3-70.1-58.2000111.4T167 P168 L169 K310T167-D171 HydrophobicContact CG2-CB 4.29Å; P168-D171 PolarHBondContact O-N 3.44Å; L169-D171 VanDerWaalsContact C-N 3.28Å; L169-D171 PolarHBondContact O-N 3.3Å; D171-K310 IonicContact OD1-NZ 3.54Å; D171-K310 PolarHBondContact OD1-NZ 3.15Å
172C92.5Very high93.3Very high8 Ų844.3 Ų44.35%0.05422%0.222CC..  trans-73.3136.1176.2-63.50000111.3P168 L169 M174 R204 I282P168-C172 PolarHBondContact O-N 3.19Å; P168-C172 PolarHBondContact O-SG 3.06Å; L169-C172 WeakPolarHBondContact O-CB 3.27Å; L169-C172 PolarHBondContact O-N 3.36Å; C172-M174 HydrophobicContact CB-CG 3.93Å; C172-M174 HydrophobicContact CB-SD 4.15Å; C172-R204 PolarHBondContact O-NH2 3.26Å; C172-I282 HydrophobicContact CB-CD1 4.44Å
173F93.6Very high92.8Very high51 Ų5145 Ų4522%0.22423%0.225CC..  trans-82.4124.5165.1-178.2-100.8000109.5M175 E188 Y194 I197F173-M175 HydrophobicContact CE1-SD 4.23Å; F173-M175 HydrophobicContact CZ-SD 3.9Å; F173-E188 HydrophobicContact CE2-CG 4.32Å; F173-E188 HydrophobicContact CZ-CG 4.15Å; F173-Y194 HydrophobicContact CB-CD2 3.56Å; F173-Y194 HydrophobicContact CB-CE2 3.47Å; F173-Y194 VanDerWaalsContact CB-CE2 3.47Å; F173-Y194 AromaticContact CD1-CD2 3.86Å; F173-Y194 HydrophobicContact CD1-CD2 3.86Å; F173-Y194 AromaticContact CG-CD2 3.91Å; F173-Y194 HydrophobicContact CG-CD2 3.91Å; F173-Y194 HydrophobicContact CG-CE2 4.12Å; F173-I197 HydrophobicContact CD1-CD1 4.27Å; F173-I197 HydrophobicContact CD1-CG1 4.17Å; F173-I197 HydrophobicContact CD1-CG2 3.99Å; F173-I197 HydrophobicContact CE1-CD1 3.94Å; F173-I197 HydrophobicContact CE1-CG1 4.31Å; F173-I197 HydrophobicContact CE1-CG2 4.12Å
174M94.8Very high92.4Very high14 Ų1443.9 Ų43.97%0.06922%0.221CC..  trans-143.8153.6-172.3-52.9173.68100109.8L169 C172 P198 F200 R204 I207L169-M174 HydrophobicContact CD1-CE 3.88Å; L169-M174 HydrophobicContact CD1-SD 3.65Å; C172-M174 HydrophobicContact CB-CG 3.93Å; C172-M174 HydrophobicContact CB-SD 4.15Å; M174-P198 WeakPolarHBondContact CA-O 3.44Å; M174-P198 HydrophobicContact CE-CB 3.79Å; M174-P198 HydrophobicContact CG-CB 4.24Å; M174-P198 HydrophobicContact CG-CG 4.48Å; M174-F200 HydrophobicContact CB-CD1 3.87Å; M174-F200 HydrophobicContact CB-CE1 4.02Å; M174-F200 HydrophobicContact CE-CB 4.42Å; M174-F200 HydrophobicContact CE-CD1 4.33Å; M174-R204 WeakPolarHBondContact CE-O 3.49Å; M174-R204 HydrophobicContact SD-CB 4.45Å; M174-R204 PolarHBondContact SD-NH2 3.42Å; M174-R204 VanDerWaalsContact SD-NH2 3.43Å; M174-I207 HydrophobicContact CE-CD1 3.49Å; M174-I207 VanDerWaalsContact CE-CD1 3.49Å; M174-I207 HydrophobicContact CE-CG1 3.48Å; M174-I207 VanDerWaalsContact CE-CG1 3.48Å
175M94.8Very high92.2Very high10 Ų1040.8 Ų40.85%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-116.1136.9178.9-65.4-60.8-65.100111.1F173 T179 T185 I189 I197 P198 V199 F200 L227F173-M175 HydrophobicContact CE1-SD 4.23Å; F173-M175 HydrophobicContact CZ-SD 3.9Å; M175-T179 HydrophobicContact CE-CG2 3.66Å; M175-T185 HydrophobicContact CE-CG2 4.35Å; M175-I189 HydrophobicContact SD-CG1 4.46Å; M175-I197 HydrophobicContact CB-CG2 4.39Å; M175-I197 HydrophobicContact CG-CG2 3.77Å; M175-P198 PolarHBondContact N-O 3.03Å; M175-V199 VanDerWaalsContact O-CA 3.25Å; M175-V199 WeakPolarHBondContact O-CA 3.39Å; M175-F200 WeakPolarHBondContact O-CD1 3.3Å; M175-F200 PolarHBondContact O-N 3.31Å; M175-L227 HydrophobicContact CB-CD2 3.95Å
176P95.7Very high92Very high42 Ų4241.4 Ų41.427%0.27321%0.208SC..EExtended strand (participates in β ladder)trans-72.7140.5172.628.4-28.7000109.7D178 T179 F200P176-D178 WeakPolarHBondContact CB-OD1 3.44Å; P176-D178 PolarHBondContact O-N 3.48Å; P176-T179 VanDerWaalsContact CD-OG1 3.27Å; P176-T179 WeakPolarHBondContact CD-OG1 3.34Å; P176-T179 VanDerWaalsContact CG-OG1 3.24Å; P176-T179 WeakPolarHBondContact CG-OG1 3.39Å; P176-T179 VanDerWaalsContact O-CB 3.26Å; P176-T179 WeakPolarHBondContact O-CB 3.39Å; P176-T179 PolarHBondContact O-N 3.39Å; P176-T179 PolarHBondContact O-OG1 3.1Å; P176-F200 CarbonylContact C-O 3.57Å; P176-F200 WeakPolarHBondContact CA-O 3.27Å; P176-F200 HydrophobicContact CB-CE1 4.11Å; P176-F200 HydrophobicContact CB-CE2 4.02Å; P176-F200 HydrophobicContact CB-CZ 3.7Å; P176-F200 HydrophobicContact CG-CZ 4.35Å
177G93Very high91.5Very high2 Ų240.4 Ų40.42%0.02120%0.204CC..THydrogen-bonded Turntrans-64-27.2-172.500000114.1T179 V199 F200 K228G177-T179 PolarHBondContact O-N 2.9Å; G177-V199 VanDerWaalsContact CA-CG1 3.44Å; G177-F200 PolarHBondContact N-O 2.68Å; G177-K228 WeakPolarHBondContact O-CG 3.22Å
178D93.1Very high91.3Very high124 Ų12443.8 Ų43.866%0.66322%0.218SC*.THydrogen-bonded Turntrans-77.72.4175.864.2-22.8000114.3P176P176-D178 WeakPolarHBondContact CB-OD1 3.44Å; P176-D178 PolarHBondContact O-N 3.48Å
179T93.3Very high91.1Very high18 Ų1842.4 Ų42.411%0.1121%0.209CC..  trans-60140.1175.9-55.60000111.8M175 P176 G177 T185 L227M175-T179 HydrophobicContact CE-CG2 3.66Å; P176-T179 VanDerWaalsContact CD-OG1 3.27Å; P176-T179 WeakPolarHBondContact CD-OG1 3.34Å; P176-T179 VanDerWaalsContact CG-OG1 3.24Å; P176-T179 WeakPolarHBondContact CG-OG1 3.39Å; P176-T179 VanDerWaalsContact O-CB 3.26Å; P176-T179 WeakPolarHBondContact O-CB 3.39Å; P176-T179 PolarHBondContact O-N 3.39Å; P176-T179 PolarHBondContact O-OG1 3.1Å; G177-T179 PolarHBondContact O-N 2.9Å; T179-T185 HydrophobicContact CG2-CG2 3.5Å; T179-T185 VanDerWaalsContact CG2-CG2 3.5Å; T179-L227 VanDerWaalsContact O-CB 3.22Å; T179-L227 WeakPolarHBondContact O-CB 3.4Å; T179-L227 PolarHBondContact O-N 3.32Å
180I93.6Very high90.6Very high90 Ų9046.1 Ų46.146%0.46223%0.228SC..EExtended strand (participates in β ladder)trans-95.1129.5170.3-61.5173.1000108.4D182 T185 C224I180-D182 PolarHBondContact O-N 3.34Å; I180-T185 PolarHBondContact O-OG1 3.44Å; I180-C224 HydrophobicContact CG2-CB 3.8Å; I180-C224 VanDerWaalsContact CG2-O 3.27Å; I180-C224 WeakPolarHBondContact CG2-O 3.31Å
181L92.1Very high90.2Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-78.473177.3-61.9172000110.4M186 I189 L216 V219 T225 L227 I230L181-M186 HydrophobicContact CB-CG 4.38Å; L181-M186 HydrophobicContact CB-SD 4.31Å; L181-M186 HydrophobicContact CD2-SD 4.18Å; L181-I189 HydrophobicContact CD2-CD1 4Å; L181-L216 HydrophobicContact CD1-CD2 3.78Å; L181-L216 HydrophobicContact CD2-CD2 4.3Å; L181-V219 HydrophobicContact CB-CG1 4.4Å; L181-V219 HydrophobicContact CD1-CG1 4.23Å; L181-T225 VanDerWaalsContact CB-O 3.26Å; L181-T225 WeakPolarHBondContact CB-O 3.42Å; L181-T225 PolarHBondContact N-O 3.43Å; L181-L227 HydrophobicContact CD1-CD1 4.25Å; L181-L227 HydrophobicContact CD2-CB 4.44Å; L181-L227 HydrophobicContact CD2-CD1 4.2Å; L181-L227 HydrophobicContact CG-CB 4.26Å; L181-L227 HydrophobicContact CG-CD1 4.49Å; L181-I230 HydrophobicContact CD1-CB 4.48Å; L181-I230 HydrophobicContact CD1-CG1 3.7Å
182D87.6Confident89.9Confident43 Ų4339.4 Ų39.423%0.2320%0.2CC..  trans-86.5175.5169.780.3-25.1000111I180 N184 T185 M186I180-D182 PolarHBondContact O-N 3.34Å; D182-N184 PolarHBondContact O-N 3.45Å; D182-N184 PolarHBondContact OD1-N 3.41Å; D182-N184 PolarHBondContact OD2-ND2 2.78Å; D182-T185 PolarHBondContact N-OG1 2.99Å; D182-T185 PolarHBondContact O-N 3.02Å; D182-T185 PolarHBondContact O-OG1 3.46Å; D182-T185 VanDerWaalsContact O-OG1 3.04Å; D182-T185 WeakPolarHBondContact OD1-CB 3.33Å; D182-T185 WeakPolarHBondContact OD1-CG2 3.37Å; D182-T185 PolarHBondContact OD1-N 2.8Å; D182-T185 PolarHBondContact OD1-OG1 2.75Å; D182-M186 VanDerWaalsContact O-CB 3.26Å; D182-M186 WeakPolarHBondContact O-CB 3.5Å; D182-M186 WeakPolarHBondContact O-CG 3.36Å; D182-M186 PolarHBondContact O-N 3.27Å
183F84.4Confident89.5Confident14 Ų1439.7 Ų39.76%0.06120%0.204CC..Hα-helixtrans-57.4-35.1177.4-175.7-92.3000113A187 P221 F325 P338 L342F183-A187 HydrophobicContact CE1-CB 4.27Å; F183-A187 WeakPolarHBondContact O-CB 3.45Å; F183-A187 PolarHBondContact O-N 2.86Å; F183-P221 HydrophobicContact CB-CB 4.23Å; F183-P221 HydrophobicContact CD2-CB 4.47Å; F183-F325 HydrophobicContact CE1-CB 3.51Å; F183-F325 HydrophobicContact CE2-CB 4.44Å; F183-F325 HydrophobicContact CZ-CB 3.38Å; F183-F325 HydrophobicContact CZ-CG 4.19Å; F183-P338 HydrophobicContact CB-CB 3.95Å; F183-P338 HydrophobicContact CB-CG 4.1Å; F183-P338 HydrophobicContact CD1-CB 3.53Å; F183-P338 HydrophobicContact CD1-CG 4.1Å; F183-P338 HydrophobicContact CD2-CB 3.59Å; F183-P338 HydrophobicContact CE1-CB 3.89Å; F183-P338 HydrophobicContact CE2-CB 3.93Å; F183-P338 HydrophobicContact CG-CB 3.38Å; F183-P338 HydrophobicContact CG-CG 4.01Å; F183-P338 HydrophobicContact CZ-CB 4.08Å; F183-L342 HydrophobicContact CE2-CD2 4.34Å
184N85.9Confident89.3Confident54 Ų5440.8 Ų40.829%0.28921%0.207SC..Hα-helixtrans-69.9-47.6-176.1-63.3-58.6000112.2D182 A187 E188D182-N184 PolarHBondContact O-N 3.45Å; D182-N184 PolarHBondContact OD1-N 3.41Å; D182-N184 PolarHBondContact OD2-ND2 2.78Å; N184-A187 CarbonylContact O-C 3.6Å; N184-A187 PolarHBondContact O-N 3.47Å; N184-E188 WeakPolarHBondContact O-CB 3.37Å; N184-E188 PolarHBondContact O-N 3.22Å
185T89.5Confident89.1Confident21 Ų2143.4 Ų43.413%0.12923%0.225CC..Hα-helixtrans-67.4-42.8177.4450000111.1M175 T179 I180 D182 A187 E188 I189M175-T185 HydrophobicContact CE-CG2 4.35Å; T179-T185 HydrophobicContact CG2-CG2 3.5Å; T179-T185 VanDerWaalsContact CG2-CG2 3.5Å; I180-T185 PolarHBondContact O-OG1 3.44Å; D182-T185 PolarHBondContact N-OG1 2.99Å; D182-T185 PolarHBondContact O-N 3.02Å; D182-T185 PolarHBondContact O-OG1 3.46Å; D182-T185 VanDerWaalsContact O-OG1 3.04Å; D182-T185 WeakPolarHBondContact OD1-CB 3.33Å; D182-T185 WeakPolarHBondContact OD1-CG2 3.37Å; D182-T185 PolarHBondContact OD1-N 2.8Å; D182-T185 PolarHBondContact OD1-OG1 2.75Å; T185-A187 VanDerWaalsContact C-N 3.34Å; T185-A187 PolarHBondContact O-N 3.37Å; T185-E188 WeakPolarHBondContact O-CA 3.4Å; T185-E188 WeakPolarHBondContact O-CB 3.49Å; T185-E188 PolarHBondContact O-N 2.88Å; T185-I189 WeakPolarHBondContact O-CG1 3.49Å; T185-I189 PolarHBondContact O-N 3.21Å
186M88.3Confident89Confident23 Ų2346.5 Ų46.511%0.11324%0.235CC..Hα-helixtrans-58-45.8172.5-72.1-71.3-73.800111.6L181 D182 E188 I189 M190 L216 P221L181-M186 HydrophobicContact CB-CG 4.38Å; L181-M186 HydrophobicContact CB-SD 4.31Å; L181-M186 HydrophobicContact CD2-SD 4.18Å; D182-M186 VanDerWaalsContact O-CB 3.26Å; D182-M186 WeakPolarHBondContact O-CB 3.5Å; D182-M186 WeakPolarHBondContact O-CG 3.36Å; D182-M186 PolarHBondContact O-N 3.27Å; M186-E188 PolarHBondContact O-N 3.31Å; M186-I189 PolarHBondContact O-N 2.89Å; M186-M190 VanDerWaalsContact O-CG 3.31Å; M186-M190 WeakPolarHBondContact O-CG 3.32Å; M186-M190 PolarHBondContact O-N 3.3Å; M186-L216 HydrophobicContact CE-CB 3.83Å; M186-L216 HydrophobicContact CE-CD1 4.23Å; M186-L216 HydrophobicContact CE-CG 4.44Å; M186-L216 HydrophobicContact SD-CB 4.28Å; M186-L216 HydrophobicContact SD-CD1 3.79Å; M186-L216 HydrophobicContact SD-CD2 3.99Å; M186-L216 HydrophobicContact SD-CG 4.24Å; M186-P221 HydrophobicContact CG-CG 4.39Å
187A84.9Confident89Confident5 Ų544.5 Ų44.54%0.04122%0.222CC..Hα-helixtrans-70.8-16175.900000113.8F183 N184 T185 R191 F322F183-A187 HydrophobicContact CE1-CB 4.27Å; F183-A187 WeakPolarHBondContact O-CB 3.45Å; F183-A187 PolarHBondContact O-N 2.86Å; N184-A187 CarbonylContact O-C 3.6Å; N184-A187 PolarHBondContact O-N 3.47Å; T185-A187 VanDerWaalsContact C-N 3.34Å; T185-A187 PolarHBondContact O-N 3.37Å; A187-R191 WeakPolarHBondContact O-CB 3.4Å; A187-R191 PolarHBondContact O-NE 3.45Å; A187-R191 PolarHBondContact O-NH2 3.01Å; A187-F322 HydrophobicContact CB-CB 3.88Å
188E87.3Confident89.1Confident89 Ų8944.5 Ų44.542%0.41622%0.222SC..Hα-helixtrans-81.1-48.1171-174.9172.5175.400110.7F173 N184 T185 M186 M190 R191 S192F173-E188 HydrophobicContact CE2-CG 4.32Å; F173-E188 HydrophobicContact CZ-CG 4.15Å; N184-E188 WeakPolarHBondContact O-CB 3.37Å; N184-E188 PolarHBondContact O-N 3.22Å; T185-E188 WeakPolarHBondContact O-CA 3.4Å; T185-E188 WeakPolarHBondContact O-CB 3.49Å; T185-E188 PolarHBondContact O-N 2.88Å; M186-E188 PolarHBondContact O-N 3.31Å; E188-M190 PolarHBondContact O-N 2.93Å; E188-R191 PolarHBondContact O-N 3.47Å; E188-R191 VanDerWaalsContact O-N 3.12Å; E188-S192 PolarHBondContact O-N 2.86Å
189I90.2Very high89.3Confident1 Ų138.7 Ų38.71%0.00519%0.191CC..Hα-helixtrans-54.3-53.9174.6-70.8164.4000110.3M175 L181 T185 M186 R191 S192 I197 L211 V213 L216M175-I189 HydrophobicContact SD-CG1 4.46Å; L181-I189 HydrophobicContact CD2-CD1 4Å; T185-I189 WeakPolarHBondContact O-CG1 3.49Å; T185-I189 PolarHBondContact O-N 3.21Å; M186-I189 PolarHBondContact O-N 2.89Å; I189-R191 PolarHBondContact O-N 3.28Å; I189-S192 WeakPolarHBondContact O-CB 3.37Å; I189-S192 PolarHBondContact O-N 2.97Å; I189-S192 VanDerWaalsContact O-N 3.16Å; I189-S192 PolarHBondContact O-OG 3.32Å; I189-I197 HydrophobicContact CB-CD1 4.35Å; I189-I197 HydrophobicContact CG1-CD1 4.25Å; I189-I197 HydrophobicContact CG2-CD1 3.62Å; I189-L211 HydrophobicContact CD1-CD2 4.03Å; I189-V213 HydrophobicContact CG2-CG2 3.98Å; I189-L216 HydrophobicContact CD1-CD1 4.22Å; I189-L216 HydrophobicContact CG2-CD1 3.84Å
190M85.4Confident89.4Confident102 Ų10239 Ų3950%0.50219%0.191SC..Hα-helixtrans-64.1-28.5-179.4-66.5-57.2-64.300113.2M186 E188 V213M186-M190 VanDerWaalsContact O-CG 3.31Å; M186-M190 WeakPolarHBondContact O-CG 3.32Å; M186-M190 PolarHBondContact O-N 3.3Å; E188-M190 PolarHBondContact O-N 2.93Å; M190-V213 HydrophobicContact CE-CG1 4.38Å; M190-V213 HydrophobicContact SD-CG1 3.55Å; M190-V213 VanDerWaalsContact SD-CG1 3.55Å
191R82.4Confident89.5Confident100 Ų10038.5 Ų38.538%0.37719%0.187SC..Hα-helixtrans-80.8-26.7179-167.7-168.8-31.114222.6112.3A187 E188 I189 G193 L303A187-R191 WeakPolarHBondContact O-CB 3.4Å; A187-R191 PolarHBondContact O-NE 3.45Å; A187-R191 PolarHBondContact O-NH2 3.01Å; E188-R191 PolarHBondContact O-N 3.47Å; E188-R191 VanDerWaalsContact O-N 3.12Å; I189-R191 PolarHBondContact O-N 3.28Å; R191-G193 PolarHBondContact O-N 3.18Å; R191-L303 WeakPolarHBondContact O-CD1 3.27Å
192S85.3Confident89.5Confident17 Ų1742.3 Ų42.312%0.11923%0.226CC..Hα-helixtrans-62.2-29.5177.476.80000112.1E188 I189 Y194E188-S192 PolarHBondContact O-N 2.86Å; I189-S192 WeakPolarHBondContact O-CB 3.37Å; I189-S192 PolarHBondContact O-N 2.97Å; I189-S192 VanDerWaalsContact O-N 3.16Å; I189-S192 PolarHBondContact O-OG 3.32Å; S192-Y194 PolarHBondContact O-N 3.41Å; S192-Y194 PolarHBondContact OG-N 3.14Å
193G84.5Confident89.8Confident13 Ų1347.1 Ų47.113%0.13425%0.247CC..  trans81.2-9.6-177.400000113.7R191 T301R191-G193 PolarHBondContact O-N 3.18Å; G193-T301 PolarHBondContact O-OG1 3.4Å; G193-T301 VanDerWaalsContact O-OG1 3.05Å
194Y88.8Confident90.2Very high74 Ų7451.4 Ų51.429%0.2926%0.263SS..  trans-78.8128.7-176.4-60-60.8000112.6F173 S192 V213F173-Y194 HydrophobicContact CB-CD2 3.56Å; F173-Y194 HydrophobicContact CB-CE2 3.47Å; F173-Y194 VanDerWaalsContact CB-CE2 3.47Å; F173-Y194 AromaticContact CD1-CD2 3.86Å; F173-Y194 HydrophobicContact CD1-CD2 3.86Å; F173-Y194 AromaticContact CG-CD2 3.91Å; F173-Y194 HydrophobicContact CG-CD2 3.91Å; F173-Y194 HydrophobicContact CG-CE2 4.12Å; S192-Y194 PolarHBondContact O-N 3.41Å; S192-Y194 PolarHBondContact OG-N 3.14Å; Y194-V213 WeakPolarHBondContact O-CG2 3.3Å
195T90.7Very high90.6Very high70 Ų7051.5 Ų51.543%0.42927%0.268SS..SBendtrans-76.8-28.4178.2-64.90000113F212 V213T195-F212 WeakPolarHBondContact O-CA 3.49Å; T195-V213 PolarHBondContact O-N 3.07Å
196R93Very high90.8Very high74 Ų7454.4 Ų54.428%0.27928%0.282SS..EExtended strand (participates in β ladder)trans-128120.2-176.3-54.5-176.5179.874.93.5109.2L210 L211 F212 L261R196-L210 HydrophobicContact CB-CD1 4.38Å; R196-L211 WeakPolarHBondContact CA-O 3.36Å; R196-F212 HydrophobicContact CB-CD1 4.05Å; R196-F212 HydrophobicContact CB-CE1 4.04Å; R196-F212 HydrophobicContact CG-CD1 3.66Å; R196-F212 HydrophobicContact CG-CE1 3.54Å; R196-L261 HydrophobicContact CB-CD1 3.89Å
197I95.3Very high91.2Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-124.8116.1-171.3-59.8163.4000109.2F173 M175 I189 L211 V213F173-I197 HydrophobicContact CD1-CD1 4.27Å; F173-I197 HydrophobicContact CD1-CG1 4.17Å; F173-I197 HydrophobicContact CD1-CG2 3.99Å; F173-I197 HydrophobicContact CE1-CD1 3.94Å; F173-I197 HydrophobicContact CE1-CG1 4.31Å; F173-I197 HydrophobicContact CE1-CG2 4.12Å; M175-I197 HydrophobicContact CB-CG2 4.39Å; M175-I197 HydrophobicContact CG-CG2 3.77Å; I189-I197 HydrophobicContact CB-CD1 4.35Å; I189-I197 HydrophobicContact CG1-CD1 4.25Å; I189-I197 HydrophobicContact CG2-CD1 3.62Å; I197-L211 HydrophobicContact CB-CB 4.45Å; I197-L211 PolarHBondContact N-O 3.09Å; I197-L211 PolarHBondContact O-N 2.95Å; I197-V213 HydrophobicContact CD1-CG2 4.35Å
198P96Very high91.6Very high3 Ų355.7 Ų55.72%0.01929%0.29CS..EExtended strand (participates in β ladder)trans-61.9138.3174.9-23.234000111.9M174 M175 I207 L210 I282M174-P198 WeakPolarHBondContact CA-O 3.44Å; M174-P198 HydrophobicContact CE-CB 3.79Å; M174-P198 HydrophobicContact CG-CB 4.24Å; M174-P198 HydrophobicContact CG-CG 4.48Å; M175-P198 PolarHBondContact N-O 3.03Å; P198-I207 HydrophobicContact CB-CD1 4.26Å; P198-I207 HydrophobicContact CB-CG2 3.98Å; P198-L210 HydrophobicContact CG-CD1 4.41Å; P198-I282 HydrophobicContact CG-CG2 4.37Å
199V96.2Very high91.9Very high1 Ų153.3 Ų53.31%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-113.1125.2178-1770000109.6M175 G177 V208 D209 L211 L227 T231M175-V199 VanDerWaalsContact O-CA 3.25Å; M175-V199 WeakPolarHBondContact O-CA 3.39Å; G177-V199 VanDerWaalsContact CA-CG1 3.44Å; V199-V208 PolarHBondContact O-N 2.9Å; V199-D209 HydrophobicContact CB-CB 3.99Å; V199-D209 HydrophobicContact CG1-CB 4.48Å; V199-D209 PolarHBondContact N-O 3.2Å; V199-D209 PolarHBondContact O-N 3.17Å; V199-L211 HydrophobicContact CG2-CB 3.9Å; V199-L227 HydrophobicContact CG1-CD2 4.05Å; V199-L227 HydrophobicContact CG2-CD2 4.05Å; V199-T231 HydrophobicContact CG2-CG2 4.04Å
200F95.9Very high92.1Very high24 Ų2453.4 Ų53.411%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-118.2154.4-175.370.7-88.3000112.7M174 M175 P176 G177 E203 R204 N206M174-F200 HydrophobicContact CB-CD1 3.87Å; M174-F200 HydrophobicContact CB-CE1 4.02Å; M174-F200 HydrophobicContact CE-CB 4.42Å; M174-F200 HydrophobicContact CE-CD1 4.33Å; M175-F200 WeakPolarHBondContact O-CD1 3.3Å; M175-F200 PolarHBondContact O-N 3.31Å; P176-F200 CarbonylContact C-O 3.57Å; P176-F200 WeakPolarHBondContact CA-O 3.27Å; P176-F200 HydrophobicContact CB-CE1 4.11Å; P176-F200 HydrophobicContact CB-CE2 4.02Å; P176-F200 HydrophobicContact CB-CZ 3.7Å; P176-F200 HydrophobicContact CG-CZ 4.35Å; G177-F200 PolarHBondContact N-O 2.68Å; F200-E203 WeakPolarHBondContact CD2-O 3.31Å; F200-R204 HydrophobicContact CD1-CG 4.49Å; F200-R204 HydrophobicContact CD2-CG 4.27Å; F200-R204 HydrophobicContact CE1-CG 4.16Å; F200-R204 HydrophobicContact CE2-CG 3.92Å; F200-R204 HydrophobicContact CZ-CG 3.86Å; F200-N206 CarbonylContact C-O 3.52Å; F200-N206 WeakPolarHBondContact CA-O 3.49Å; F200-N206 WeakPolarHBondContact CB-O 3.49Å
201E95.2Very high92.6Very high81 Ų8148.6 Ų48.638%0.37926%0.257SS..SBendtrans-118.3120.8174.7-79.6-170162.900111.6E203 N206 V208 K228E201-E203 PolarHBondContact O-N 3.28Å; E201-N206 PolarHBondContact N-O 3.01Å; E201-N206 PolarHBondContact O-ND2 3.48Å; E201-V208 HydrophobicContact CB-CG1 4.1Å; E201-V208 HydrophobicContact CB-CG2 4.39Å; E201-V208 HydrophobicContact CG-CG1 4.24Å; E201-V208 HydrophobicContact CG-CG2 3.77Å; E201-K228 WeakPolarHBondContact OE1-CE 3.11Å; E201-K228 IonicContact OE1-NZ 2.65Å; E201-K228 PolarHBondContact OE1-NZ 3.16Å
202G92.9Very high93.1Very high79 Ų7945.2 Ų45.281%0.81425%0.245SC*.SBendtrans73.9-93.9-177.200000111.2
203E93.5Very high93.5Very high144 Ų14445.9 Ų45.967%0.67325%0.249SC*.SBendtrans-86.7146.7178.9-66.6-166.2171.700112.2F200 E201 S205 N206F200-E203 WeakPolarHBondContact CD2-O 3.31Å; E201-E203 PolarHBondContact O-N 3.28Å; E203-S205 PolarHBondContact O-N 3.49Å; E203-S205 VanDerWaalsContact O-N 3.16Å; E203-N206 WeakPolarHBondContact O-CB 3.26Å; E203-N206 PolarHBondContact O-N 3.28Å
204R93.3Very high93.8Very high105 Ų10552.1 Ų52.140%0.39627%0.272SS..THydrogen-bonded Turntrans-61.8-24.3179.1-65.3-170.968.5155-0.3113.3C172 M174 F200 N206C172-R204 PolarHBondContact O-NH2 3.26Å; M174-R204 WeakPolarHBondContact CE-O 3.49Å; M174-R204 HydrophobicContact SD-CB 4.45Å; M174-R204 PolarHBondContact SD-NH2 3.42Å; M174-R204 VanDerWaalsContact SD-NH2 3.43Å; F200-R204 HydrophobicContact CD1-CG 4.49Å; F200-R204 HydrophobicContact CD2-CG 4.27Å; F200-R204 HydrophobicContact CE1-CG 4.16Å; F200-R204 HydrophobicContact CE2-CG 3.92Å; F200-R204 HydrophobicContact CZ-CG 3.86Å; R204-N206 VanDerWaalsContact C-N 3.26Å; R204-N206 PolarHBondContact O-N 3.21Å
205S93.1Very high94Very high56 Ų5648.9 Ų48.939%0.39226%0.26SS..THydrogen-bonded Turntrans-71.1-22.7175.3-49.10000112.5E203 I207 V279E203-S205 PolarHBondContact O-N 3.49Å; E203-S205 VanDerWaalsContact O-N 3.16Å; S205-I207 PolarHBondContact O-N 3.18Å; S205-V279 VanDerWaalsContact O-CG2 3.28Å; S205-V279 WeakPolarHBondContact O-CG2 3.38Å
206N94.9Very high94.1Very high81 Ų8146.1 Ų46.143%0.43324%0.242SC..  trans-92.175.7-178.2-176.834.1000111.1F200 E201 E203 R204 V208F200-N206 CarbonylContact C-O 3.52Å; F200-N206 WeakPolarHBondContact CA-O 3.49Å; F200-N206 WeakPolarHBondContact CB-O 3.49Å; E201-N206 PolarHBondContact N-O 3.01Å; E201-N206 PolarHBondContact O-ND2 3.48Å; E203-N206 WeakPolarHBondContact O-CB 3.26Å; E203-N206 PolarHBondContact O-N 3.28Å; R204-N206 VanDerWaalsContact C-N 3.26Å; R204-N206 PolarHBondContact O-N 3.21Å; N206-V208 PolarHBondContact O-N 2.89Å
207I95.6Very high93.9Very high11 Ų1146.1 Ų46.16%0.05626%0.259CS..EExtended strand (participates in β ladder)trans-80.3117177.8-53.9175.8000109.2L169 M174 P198 S205 L238 I263 V279L169-I207 HydrophobicContact CD1-CD1 4.4Å; M174-I207 HydrophobicContact CE-CD1 3.49Å; M174-I207 VanDerWaalsContact CE-CD1 3.49Å; M174-I207 HydrophobicContact CE-CG1 3.48Å; M174-I207 VanDerWaalsContact CE-CG1 3.48Å; P198-I207 HydrophobicContact CB-CD1 4.26Å; P198-I207 HydrophobicContact CB-CG2 3.98Å; S205-I207 PolarHBondContact O-N 3.18Å; I207-L238 HydrophobicContact CG2-CD1 4.44Å; I207-I263 HydrophobicContact CB-CD1 4Å; I207-I263 HydrophobicContact CD1-CD1 4.04Å; I207-I263 HydrophobicContact CD1-CG1 4.14Å; I207-I263 HydrophobicContact CD1-CG2 4.02Å; I207-I263 HydrophobicContact CG2-CD1 3.62Å; I207-V279 HydrophobicContact CD1-CG1 4.14Å
208V93.7Very high93.6Very high44 Ų4455.3 Ų55.327%0.26730%0.299SS..EExtended strand (participates in β ladder)trans-106.7-29.1-174.9-61.80000113.2V199 E201 N206 L238V199-V208 PolarHBondContact O-N 2.9Å; E201-V208 HydrophobicContact CB-CG1 4.1Å; E201-V208 HydrophobicContact CB-CG2 4.39Å; E201-V208 HydrophobicContact CG-CG1 4.24Å; E201-V208 HydrophobicContact CG-CG2 3.77Å; N206-V208 PolarHBondContact O-N 2.89Å; V208-L238 WeakPolarHBondContact O-CD1 3.27Å
209D94.4Very high93.3Very high39 Ų3956.1 Ų56.121%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-146.6168.6-173.2-85.1-51.7000111.8V199 T231V199-D209 HydrophobicContact CB-CB 3.99Å; V199-D209 HydrophobicContact CG1-CB 4.48Å; V199-D209 PolarHBondContact N-O 3.2Å; V199-D209 PolarHBondContact O-N 3.17Å; D209-T231 HydrophobicContact CB-CG2 4.06Å
210L94.2Very high92.9Very high4 Ų459.2 Ų59.22%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-129.2125.2176-170.465.1000110R196 P198 F212 H236 L238 L261R196-L210 HydrophobicContact CB-CD1 4.38Å; P198-L210 HydrophobicContact CG-CD1 4.41Å; L210-F212 HydrophobicContact CD2-CD1 4.37Å; L210-F212 HydrophobicContact CD2-CE1 3.45Å; L210-F212 VanDerWaalsContact CD2-CE1 3.45Å; L210-F212 HydrophobicContact CD2-CZ 4.05Å; L210-F212 HydrophobicContact CG-CD1 4.24Å; L210-F212 HydrophobicContact CG-CE1 3.78Å; L210-H236 HydrophobicContact CB-CB 4.19Å; L210-H236 PolarHBondContact O-ND1 3.32Å; L210-L238 HydrophobicContact CB-CD2 3.86Å; L210-L261 HydrophobicContact CD1-CD2 4.19Å
211L95.1Very high92.4Very high1 Ų158.6 Ų58.61%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-95.4128.1175.8175.865.4000109.8I189 R196 I197 V199 D215 L216 L227 I230I189-L211 HydrophobicContact CD1-CD2 4.03Å; R196-L211 WeakPolarHBondContact CA-O 3.36Å; I197-L211 HydrophobicContact CB-CB 4.45Å; I197-L211 PolarHBondContact N-O 3.09Å; I197-L211 PolarHBondContact O-N 2.95Å; V199-L211 HydrophobicContact CG2-CB 3.9Å; L211-D215 HydrophobicContact CD1-CB 4.46Å; L211-L216 HydrophobicContact CD1-CD2 4.07Å; L211-L216 HydrophobicContact CD1-CG 4.41Å; L211-L216 HydrophobicContact CD2-CD1 4.47Å; L211-L227 HydrophobicContact CD1-CD1 3.89Å; L211-L227 HydrophobicContact CD2-CD1 3.81Å; L211-L227 HydrophobicContact CG-CD1 4.29Å; L211-I230 HydrophobicContact CD1-CG2 4.31Å
212F94.3Very high91.7Very high28 Ų2858.2 Ų58.212%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-99.4137165.4-61.7-21.3000110.4T195 R196 L210 K214 D215 H236T195-F212 WeakPolarHBondContact O-CA 3.49Å; R196-F212 HydrophobicContact CB-CD1 4.05Å; R196-F212 HydrophobicContact CB-CE1 4.04Å; R196-F212 HydrophobicContact CG-CD1 3.66Å; R196-F212 HydrophobicContact CG-CE1 3.54Å; L210-F212 HydrophobicContact CD2-CD1 4.37Å; L210-F212 HydrophobicContact CD2-CE1 3.45Å; L210-F212 VanDerWaalsContact CD2-CE1 3.45Å; L210-F212 HydrophobicContact CD2-CZ 4.05Å; L210-F212 HydrophobicContact CG-CD1 4.24Å; L210-F212 HydrophobicContact CG-CE1 3.78Å; F212-K214 HydrophobicContact CB-CG 3.9Å; F212-K214 VanDerWaalsContact CD2-CE 3.47Å; F212-K214 PolarHBondContact O-N 2.93Å; F212-K214 VanDerWaalsContact O-N 3.15Å; F212-D215 WeakPolarHBondContact CA-OD2 3.36Å; F212-D215 WeakPolarHBondContact CB-OD2 3.36Å; F212-D215 PolarHBondContact N-OD2 3.39Å; F212-D215 WeakPolarHBondContact O-CB 3.41Å; F212-D215 VanDerWaalsContact O-CG 3.24Å; F212-D215 PolarHBondContact O-N 3.13Å; F212-H236 AromaticContact CD2-CD2 3.53Å; F212-H236 AromaticContact CD2-CE1 3.59Å; F212-H236 AromaticContact CD2-NE2 3.22Å; F212-H236 WeakPolarHBondContact CD2-NE2 3.32Å; F212-H236 AromaticContact CE2-CD2 3.27Å; F212-H236 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H236 AromaticContact CE2-CG 3.92Å; F212-H236 AromaticContact CE2-NE2 3.46Å; F212-H236 WeakPolarHBondContact CE2-NE2 3.34Å; F212-H236 AromaticContact CZ-CD2 3.95Å
213V92Very high91.5Very high32 Ų3259.9 Ų59.919%0.19431%0.309CS..G310 helixtrans-58.7-32.3179.5173.60000112I189 M190 Y194 T195 I197 D215 L216I189-V213 HydrophobicContact CG2-CG2 3.98Å; M190-V213 HydrophobicContact CE-CG1 4.38Å; M190-V213 HydrophobicContact SD-CG1 3.55Å; M190-V213 VanDerWaalsContact SD-CG1 3.55Å; Y194-V213 WeakPolarHBondContact O-CG2 3.3Å; T195-V213 PolarHBondContact O-N 3.07Å; I197-V213 HydrophobicContact CD1-CG2 4.35Å; V213-D215 PolarHBondContact O-N 2.96Å; V213-L216 WeakPolarHBondContact O-CB 3.41Å; V213-L216 PolarHBondContact O-N 3.3Å; V213-L216 VanDerWaalsContact O-N 3.11Å
214K92.4Very high91.2Very high143 Ų14356.1 Ų56.162%0.62230%0.298SS*.G310 helixtrans-62.1-23.8175.468.2176.5179.8175.10113.7F212 L216 A217F212-K214 HydrophobicContact CB-CG 3.9Å; F212-K214 VanDerWaalsContact CD2-CE 3.47Å; F212-K214 PolarHBondContact O-N 2.93Å; F212-K214 VanDerWaalsContact O-N 3.15Å; K214-L216 PolarHBondContact O-N 3.41Å; K214-A217 VanDerWaalsContact O-CB 3.23Å; K214-A217 WeakPolarHBondContact O-CB 3.4Å; K214-A217 PolarHBondContact O-N 3.2Å
215D92.6Very high91.1Very high7 Ų752.7 Ų52.74%0.03729%0.289CS..G310 helixtrans-70.2-21.7179.1-54-24.2000111.1L211 F212 V213 A217 I230 Y234 H236L211-D215 HydrophobicContact CD1-CB 4.46Å; F212-D215 WeakPolarHBondContact CA-OD2 3.36Å; F212-D215 WeakPolarHBondContact CB-OD2 3.36Å; F212-D215 PolarHBondContact N-OD2 3.39Å; F212-D215 WeakPolarHBondContact O-CB 3.41Å; F212-D215 VanDerWaalsContact O-CG 3.24Å; F212-D215 PolarHBondContact O-N 3.13Å; V213-D215 PolarHBondContact O-N 2.96Å; D215-A217 PolarHBondContact O-N 2.64Å; D215-I230 HydrophobicContact CB-CG2 4.09Å; D215-Y234 HydrophobicContact CB-CD2 3.76Å; D215-Y234 HydrophobicContact CB-CE2 3.58Å; D215-Y234 HydrophobicContact CB-CG 4.41Å; D215-H236 VanDerWaalsContact CG-CE1 3.5Å; D215-H236 IonicContact OD1-CE1 3.9Å; D215-H236 PolarHBondContact OD1-CE1 2.66Å; D215-H236 IonicContact OD1-NE2 3.96Å; D215-H236 IonicContact OD2-CE1 2.68Å; D215-H236 PolarHBondContact OD2-CE1 3.34Å; D215-H236 IonicContact OD2-ND1 3.25Å; D215-H236 PolarHBondContact OD2-ND1 3.04Å
216L91.6Very high91.2Very high11 Ų1153 Ų536%0.05829%0.29CS..G310 helixtrans-80.3-2178.4-53.6175.2000112.8L181 M186 I189 L211 V213 K214 F218 V219L181-L216 HydrophobicContact CD1-CD2 3.78Å; L181-L216 HydrophobicContact CD2-CD2 4.3Å; M186-L216 HydrophobicContact CE-CB 3.83Å; M186-L216 HydrophobicContact CE-CD1 4.23Å; M186-L216 HydrophobicContact CE-CG 4.44Å; M186-L216 HydrophobicContact SD-CB 4.28Å; M186-L216 HydrophobicContact SD-CD1 3.79Å; M186-L216 HydrophobicContact SD-CD2 3.99Å; M186-L216 HydrophobicContact SD-CG 4.24Å; I189-L216 HydrophobicContact CD1-CD1 4.22Å; I189-L216 HydrophobicContact CG2-CD1 3.84Å; L211-L216 HydrophobicContact CD1-CD2 4.07Å; L211-L216 HydrophobicContact CD1-CG 4.41Å; L211-L216 HydrophobicContact CD2-CD1 4.47Å; V213-L216 WeakPolarHBondContact O-CB 3.41Å; V213-L216 PolarHBondContact O-N 3.3Å; V213-L216 VanDerWaalsContact O-N 3.11Å; K214-L216 PolarHBondContact O-N 3.41Å; L216-F218 PolarHBondContact O-N 2.94Å; L216-V219 HydrophobicContact CD2-CG2 4.32Å; L216-V219 PolarHBondContact O-N 3.29Å; L216-V219 VanDerWaalsContact O-N 3.1Å
217A90.4Very high91.1Very high75 Ų7549.2 Ų49.262%0.6227%0.269SS*.G310 helixtrans-60-30.5-174.400000114.2K214 D215K214-A217 VanDerWaalsContact O-CB 3.23Å; K214-A217 WeakPolarHBondContact O-CB 3.4Å; K214-A217 PolarHBondContact O-N 3.2Å; D215-A217 PolarHBondContact O-N 2.64Å
218F89.1Confident91Very high193 Ų19353 Ų5385%0.84629%0.286SS*.G310 helixtrans-109.111.2179-62.8-72.7000113.1L216L216-F218 PolarHBondContact O-N 2.94Å
219V89.6Confident90.9Very high20 Ų2054.7 Ų54.712%0.12130%0.296CS..  trans-91119.4179.3-179.40000108.6L181 L216 P221 I230L181-V219 HydrophobicContact CB-CG1 4.4Å; L181-V219 HydrophobicContact CD1-CG1 4.23Å; L216-V219 HydrophobicContact CD2-CG2 4.32Å; L216-V219 PolarHBondContact O-N 3.29Å; L216-V219 VanDerWaalsContact O-N 3.1Å; V219-P221 WeakPolarHBondContact O-CD 3.45Å; V219-I230 HydrophobicContact CG2-CD1 3.69Å; V219-I230 HydrophobicContact CG2-CG1 4.17Å
220D86.4Confident90.9Very high65 Ų6553.9 Ų53.935%0.34829%0.291SS..  trans-82.8121.7170.6-163.6-25.1000109.6D222 D223D220-D222 PolarHBondContact O-N 3.15Å; D220-D222 WeakPolarHBondContact OD1-CB 3.49Å; D220-D222 PolarHBondContact OD1-N 2.84Å; D220-D223 PolarHBondContact O-N 3.01Å; D220-D223 VanDerWaalsContact O-N 3.12Å
221P85.8Confident90.8Very high12 Ų1253.9 Ų53.98%0.07829%0.292CS..G310 helixtrans-59.1-23.6173.8-22.733.5000113.8F183 M186 V219 D223 C224F183-P221 HydrophobicContact CB-CB 4.23Å; F183-P221 HydrophobicContact CD2-CB 4.47Å; M186-P221 HydrophobicContact CG-CG 4.39Å; V219-P221 WeakPolarHBondContact O-CD 3.45Å; P221-D223 VanDerWaalsContact C-N 3.28Å; P221-D223 PolarHBondContact O-N 3.24Å; P221-C224 PolarHBondContact O-N 3.13Å
222D80.7Confident90.6Very high72 Ų7262.1 Ų62.139%0.38533%0.327SS..G310 helixtrans-72-23.1178.6-73.9-7.6000112D220 C224 S337 Q339D220-D222 PolarHBondContact O-N 3.15Å; D220-D222 WeakPolarHBondContact OD1-CB 3.49Å; D220-D222 PolarHBondContact OD1-N 2.84Å; D222-C224 VanDerWaalsContact C-N 3.3Å; D222-C224 PolarHBondContact O-N 3.18Å; D222-S337 VanDerWaalsContact OD1-CB 3.23Å; D222-S337 WeakPolarHBondContact OD1-CB 3.04Å; D222-S337 PolarHBondContact OD1-OG 3.16Å; D222-S337 WeakPolarHBondContact OD2-CB 2.92Å; D222-S337 PolarHBondContact OD2-OG 2.96Å; D222-Q339 WeakPolarHBondContact OD1-CB 3.22Å
223D89.1Confident90.6Very high114 Ų11468.2 Ų68.261%0.6135%0.354SS*.G310 helixtrans-76-17177.9-73-22.1000113.1D220 P221 T225D220-D223 PolarHBondContact O-N 3.01Å; D220-D223 VanDerWaalsContact O-N 3.12Å; P221-D223 VanDerWaalsContact C-N 3.28Å; P221-D223 PolarHBondContact O-N 3.24Å; D223-T225 VanDerWaalsContact C-N 3.27Å; D223-T225 PolarHBondContact O-N 2.97Å
224C87.7Confident90.6Very high66 Ų6670.9 Ų70.945%0.44636%0.361SS..  trans5048.1-177.2-61.20000112I180 P221 D222I180-C224 HydrophobicContact CG2-CB 3.8Å; I180-C224 VanDerWaalsContact CG2-O 3.27Å; I180-C224 WeakPolarHBondContact CG2-O 3.31Å; P221-C224 PolarHBondContact O-N 3.13Å; D222-C224 VanDerWaalsContact C-N 3.3Å; D222-C224 PolarHBondContact O-N 3.18Å
225T91.2Very high90.5Very high33 Ų3368 Ų6820%0.20236%0.36CS..EExtended strand (participates in β ladder)trans-69.6133.7-175.6-62.70000110.8L181 D223 I230L181-T225 VanDerWaalsContact CB-O 3.26Å; L181-T225 WeakPolarHBondContact CB-O 3.42Å; L181-T225 PolarHBondContact N-O 3.43Å; D223-T225 VanDerWaalsContact C-N 3.27Å; D223-T225 PolarHBondContact O-N 2.97Å; T225-I230 HydrophobicContact CG2-CD1 4.18Å; T225-I230 HydrophobicContact CG2-CG1 4.35Å
226P94.3Very high90.5Very high63 Ų6369.5 Ų69.541%0.40937%0.366SS..EExtended strand (participates in β ladder)trans-63.6137.2174.4-22.533.4000112.4K228 T229P226-K228 PolarHBondContact O-N 2.91Å; P226-T229 WeakPolarHBondContact O-CB 3.4Å; P226-T229 PolarHBondContact O-N 2.76Å; P226-T229 PolarHBondContact O-OG1 3.31Å
227L94.1Very high90.4Very high0 Ų072.8 Ų72.80%039%0.39CS..Hα-helixtrans-58.9-34.7178.8176.259.1000112.3M175 T179 L181 V199 L211 T229 I230 T231M175-L227 HydrophobicContact CB-CD2 3.95Å; T179-L227 VanDerWaalsContact O-CB 3.22Å; T179-L227 WeakPolarHBondContact O-CB 3.4Å; T179-L227 PolarHBondContact O-N 3.32Å; L181-L227 HydrophobicContact CD1-CD1 4.25Å; L181-L227 HydrophobicContact CD2-CB 4.44Å; L181-L227 HydrophobicContact CD2-CD1 4.2Å; L181-L227 HydrophobicContact CG-CB 4.26Å; L181-L227 HydrophobicContact CG-CD1 4.49Å; V199-L227 HydrophobicContact CG1-CD2 4.05Å; V199-L227 HydrophobicContact CG2-CD2 4.05Å; L211-L227 HydrophobicContact CD1-CD1 3.89Å; L211-L227 HydrophobicContact CD2-CD1 3.81Å; L211-L227 HydrophobicContact CG-CD1 4.29Å; L227-T229 PolarHBondContact O-N 3.43Å; L227-I230 PolarHBondContact O-N 2.86Å; L227-I230 VanDerWaalsContact O-N 3.13Å; L227-T231 HydrophobicContact CD1-CG2 3.87Å; L227-T231 HydrophobicContact CG-CG2 4.09Å; L227-T231 PolarHBondContact O-N 3.34Å; L227-T231 PolarHBondContact O-OG1 3.28Å
228K92.2Very high90.5Very high91 Ų9171.4 Ų71.440%0.39637%0.372SS..Hα-helixtrans-53.9-34.2174.1-60.1-154.8-178.7-161.90113.3G177 E201 P226 T231 K232G177-K228 WeakPolarHBondContact O-CG 3.22Å; E201-K228 WeakPolarHBondContact OE1-CE 3.11Å; E201-K228 IonicContact OE1-NZ 2.65Å; E201-K228 PolarHBondContact OE1-NZ 3.16Å; P226-K228 PolarHBondContact O-N 2.91Å; K228-T231 VanDerWaalsContact CA-OG1 3.22Å; K228-T231 WeakPolarHBondContact CA-OG1 3.47Å; K228-T231 PolarHBondContact O-OG1 3.41Å; K228-K232 WeakPolarHBondContact O-CB 3.5Å; K228-K232 PolarHBondContact O-N 3.31Å
229T92.6Very high90.7Very high80 Ų8064 Ų6449%0.49134%0.34SS..Hα-helixtrans-69.7-41.9-179-53.40000110.8P226 L227 F233P226-T229 WeakPolarHBondContact O-CB 3.4Å; P226-T229 PolarHBondContact O-N 2.76Å; P226-T229 PolarHBondContact O-OG1 3.31Å; L227-T229 PolarHBondContact O-N 3.43Å; T229-F233 VanDerWaalsContact O-CB 3.26Å; T229-F233 WeakPolarHBondContact O-CB 3.31Å; T229-F233 PolarHBondContact O-N 3.49Å; T229-F233 VanDerWaalsContact O-N 3.07Å
230I93.8Very high90.9Very high21 Ų2167.2 Ų67.211%0.10835%0.352CS..Hα-helixtrans-70.3-50.1179.6-57.1-56000110.6L181 L211 D215 V219 T225 L227 K232 F233 Y234L181-I230 HydrophobicContact CD1-CB 4.48Å; L181-I230 HydrophobicContact CD1-CG1 3.7Å; L211-I230 HydrophobicContact CD1-CG2 4.31Å; D215-I230 HydrophobicContact CB-CG2 4.09Å; V219-I230 HydrophobicContact CG2-CD1 3.69Å; V219-I230 HydrophobicContact CG2-CG1 4.17Å; T225-I230 HydrophobicContact CG2-CD1 4.18Å; T225-I230 HydrophobicContact CG2-CG1 4.35Å; L227-I230 PolarHBondContact O-N 2.86Å; L227-I230 VanDerWaalsContact O-N 3.13Å; I230-K232 PolarHBondContact O-N 2.92Å; I230-F233 PolarHBondContact O-N 3.05Å; I230-F233 VanDerWaalsContact O-N 3.14Å; I230-Y234 HydrophobicContact CG2-CD2 3.91Å; I230-Y234 HydrophobicContact CG2-CE2 4.06Å; I230-Y234 WeakPolarHBondContact O-CD2 3.39Å; I230-Y234 PolarHBondContact O-N 3.41Å
231T91.9Very high91.3Very high4 Ų464.4 Ų64.43%0.02534%0.338CS..Hα-helixtrans-59.4-44.8178.8450000111.8V199 D209 L227 K228 F233 S235V199-T231 HydrophobicContact CG2-CG2 4.04Å; D209-T231 HydrophobicContact CB-CG2 4.06Å; L227-T231 HydrophobicContact CD1-CG2 3.87Å; L227-T231 HydrophobicContact CG-CG2 4.09Å; L227-T231 PolarHBondContact O-N 3.34Å; L227-T231 PolarHBondContact O-OG1 3.28Å; K228-T231 VanDerWaalsContact CA-OG1 3.22Å; K228-T231 WeakPolarHBondContact CA-OG1 3.47Å; K228-T231 PolarHBondContact O-OG1 3.41Å; T231-F233 VanDerWaalsContact C-N 3.34Å; T231-F233 PolarHBondContact O-N 2.98Å; T231-S235 VanDerWaalsContact O-CA 3.31Å; T231-S235 WeakPolarHBondContact O-CA 3.41Å; T231-S235 PolarHBondContact O-N 3.16Å
232K91.8Very high91.8Very high174 Ų17467.8 Ų67.876%0.75735%0.351SS*.Hα-helixtrans-66.7-31.4175.7-172.6172.6-177.3174.10113.8K228 I230K228-K232 WeakPolarHBondContact O-CB 3.5Å; K228-K232 PolarHBondContact O-N 3.31Å; I230-K232 PolarHBondContact O-N 2.92Å
233F93.6Very high92.5Very high157 Ų15765.4 Ų65.469%0.68934%0.338SS*.Hα-helixtrans-70.2-46.4178.3176.3-95.7000111.9T229 I230 T231T229-F233 VanDerWaalsContact O-CB 3.26Å; T229-F233 WeakPolarHBondContact O-CB 3.31Å; T229-F233 PolarHBondContact O-N 3.49Å; T229-F233 VanDerWaalsContact O-N 3.07Å; I230-F233 PolarHBondContact O-N 3.05Å; I230-F233 VanDerWaalsContact O-N 3.14Å; T231-F233 VanDerWaalsContact C-N 3.34Å; T231-F233 PolarHBondContact O-N 2.98Å
234Y92.1Very high92.8Very high88 Ų8865.2 Ų65.235%0.34534%0.337SS..Hα-helixtrans-83.4-32.2-180-72.8-79.2000113.3D215 I230 H236D215-Y234 HydrophobicContact CB-CD2 3.76Å; D215-Y234 HydrophobicContact CB-CE2 3.58Å; D215-Y234 HydrophobicContact CB-CG 4.41Å; I230-Y234 HydrophobicContact CG2-CD2 3.91Å; I230-Y234 HydrophobicContact CG2-CE2 4.06Å; I230-Y234 WeakPolarHBondContact O-CD2 3.39Å; I230-Y234 PolarHBondContact O-N 3.41Å; Y234-H236 WeakPolarHBondContact CB-CE1 3.24Å; Y234-H236 AromaticContact CG-CE1 3.93Å; Y234-H236 PolarHBondContact O-N 2.87Å
235S90.3Very high93.2Very high83 Ų8363.4 Ų63.458%0.5832%0.324SS*.  trans47.153.2176-173.90000113.1T231 S237T231-S235 VanDerWaalsContact O-CA 3.31Å; T231-S235 WeakPolarHBondContact O-CA 3.41Å; T231-S235 PolarHBondContact O-N 3.16Å; S235-S237 PolarHBondContact O-N 2.72Å
236H92.5Very high93.4Very high37 Ų3765.8 Ų65.817%0.17133%0.332CS..PPolyproline II helixtrans-58.9133.5178.8-69.6105.7000111.4L210 F212 D215 Y234 L238L210-H236 HydrophobicContact CB-CB 4.19Å; L210-H236 PolarHBondContact O-ND1 3.32Å; F212-H236 AromaticContact CD2-CD2 3.53Å; F212-H236 AromaticContact CD2-CE1 3.59Å; F212-H236 AromaticContact CD2-NE2 3.22Å; F212-H236 WeakPolarHBondContact CD2-NE2 3.32Å; F212-H236 AromaticContact CE2-CD2 3.27Å; F212-H236 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H236 AromaticContact CE2-CG 3.92Å; F212-H236 AromaticContact CE2-NE2 3.46Å; F212-H236 WeakPolarHBondContact CE2-NE2 3.34Å; F212-H236 AromaticContact CZ-CD2 3.95Å; D215-H236 VanDerWaalsContact CG-CE1 3.5Å; D215-H236 IonicContact OD1-CE1 3.9Å; D215-H236 PolarHBondContact OD1-CE1 2.66Å; D215-H236 IonicContact OD1-NE2 3.96Å; D215-H236 IonicContact OD2-CE1 2.68Å; D215-H236 PolarHBondContact OD2-CE1 3.34Å; D215-H236 IonicContact OD2-ND1 3.25Å; D215-H236 PolarHBondContact OD2-ND1 3.04Å; Y234-H236 WeakPolarHBondContact CB-CE1 3.24Å; Y234-H236 AromaticContact CG-CE1 3.93Å; Y234-H236 PolarHBondContact O-N 2.87Å; H236-L238 PolarHBondContact O-N 3.26Å
237S89.7Confident93.5Very high80 Ų8062.8 Ų62.856%0.55931%0.313SS*.PPolyproline II helixtrans-68.6128.7179.557.70000111.5S235S235-S237 PolarHBondContact O-N 2.72Å
238L91.8Very high93.5Very high46 Ų4665.8 Ų65.824%0.24133%0.328CS..PPolyproline II helixtrans-78.7129.4169.2-62.5-175.4000110.4I207 V208 L210 H236 F240 I263I207-L238 HydrophobicContact CG2-CD1 4.44Å; V208-L238 WeakPolarHBondContact O-CD1 3.27Å; L210-L238 HydrophobicContact CB-CD2 3.86Å; H236-L238 PolarHBondContact O-N 3.26Å; L238-F240 HydrophobicContact CB-CD2 4.11Å; L238-F240 HydrophobicContact CB-CE2 3.47Å; L238-F240 VanDerWaalsContact CB-CE2 3.47Å; L238-F240 HydrophobicContact CB-CZ 4.04Å; L238-F240 HydrophobicContact CD1-CE2 3.87Å; L238-F240 HydrophobicContact CD1-CZ 3.74Å; L238-F240 HydrophobicContact CG-CE2 4.35Å; L238-I263 HydrophobicContact CB-CD1 4.39Å; L238-I263 HydrophobicContact CD1-CD1 4.25Å; L238-I263 HydrophobicContact CD2-CD1 4.01Å; L238-I263 HydrophobicContact CG-CD1 4.47Å
239H93.2Very high93.6Very high39 Ų3963.5 Ų63.518%0.18133%0.326CS..  trans-103.7111.9175.8-167.9-88.2000109.3V241 E253 A262 I263H239-V241 VanDerWaalsContact CE1-CG1 3.47Å; H239-V241 WeakPolarHBondContact CE1-CG1 3.31Å; H239-E253 IonicContact CE1-OE2 2.66Å; H239-E253 PolarHBondContact CE1-OE2 3.48Å; H239-E253 VanDerWaalsContact CE1-OE2 3.25Å; H239-E253 IonicContact NE2-OE2 2.61Å; H239-A262 HydrophobicContact CB-CB 4.34Å; H239-A262 CarbonylContact O-C 3.42Å; H239-A262 VanDerWaalsContact O-CA 3.22Å; H239-A262 WeakPolarHBondContact O-CA 3.45Å; H239-I263 PolarHBondContact O-N 2.89Å
240F94Very high93.7Very high87 Ų8759.7 Ų59.738%0.38230%0.303SS..EExtended strand (participates in β ladder)trans-102.2136.1179.9-68.9-85.4000110.7L238 I263L238-F240 HydrophobicContact CB-CD2 4.11Å; L238-F240 HydrophobicContact CB-CE2 3.47Å; L238-F240 VanDerWaalsContact CB-CE2 3.47Å; L238-F240 HydrophobicContact CB-CZ 4.04Å; L238-F240 HydrophobicContact CD1-CE2 3.87Å; L238-F240 HydrophobicContact CD1-CZ 3.74Å; L238-F240 HydrophobicContact CG-CE2 4.35Å; F240-I263 WeakPolarHBondContact CA-O 3.35Å; F240-I263 HydrophobicContact CD1-CB 3.75Å; F240-I263 HydrophobicContact CD1-CD1 4.35Å; F240-I263 HydrophobicContact CD1-CG2 3.85Å; F240-I263 HydrophobicContact CE1-CB 3.86Å; F240-I263 HydrophobicContact CE1-CD1 3.73Å; F240-I263 HydrophobicContact CE1-CG1 4.42Å; F240-I263 HydrophobicContact CE1-CG2 3.74Å; F240-I263 HydrophobicContact CZ-CD1 3.9Å
241V95.3Very high93.7Very high6 Ų660.2 Ų60.24%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-134.4149.3178.6-64.40000110.7V162 H239 M250 A262 I263 V264 Q265 V283V162-V241 HydrophobicContact CG1-CG2 4.38Å; H239-V241 VanDerWaalsContact CE1-CG1 3.47Å; H239-V241 WeakPolarHBondContact CE1-CG1 3.31Å; V241-M250 HydrophobicContact CB-SD 4.16Å; V241-M250 HydrophobicContact CG1-CE 3.92Å; V241-M250 HydrophobicContact CG1-SD 3.73Å; V241-M250 HydrophobicContact CG2-CE 4.4Å; V241-M250 HydrophobicContact CG2-SD 4.03Å; V241-A262 HydrophobicContact CG1-CB 4.1Å; V241-A262 HydrophobicContact CG2-CB 3.88Å; V241-I263 PolarHBondContact N-O 3.28Å; V241-V264 HydrophobicContact CG2-CG2 4.15Å; V241-V264 WeakPolarHBondContact O-CA 3.46Å; V241-Q265 PolarHBondContact O-N 3.06Å; V241-V283 HydrophobicContact CG2-CG1 4.2Å
242F96.4Very high93.7Very high83 Ų8364.4 Ų64.436%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-82.3149177.7-64.6-69.2000111.6D244 T245 Q265 V267 Y277F242-D244 WeakPolarHBondContact CB-OD1 3.38Å; F242-D244 PolarHBondContact O-N 2.85Å; F242-T245 PolarHBondContact N-OG1 2.97Å; F242-T245 WeakPolarHBondContact O-CB 3.35Å; F242-T245 PolarHBondContact O-N 2.82Å; F242-T245 VanDerWaalsContact O-N 3.11Å; F242-T245 PolarHBondContact O-OG1 3.16Å; F242-Q265 WeakPolarHBondContact CA-O 3.37Å; F242-Q265 HydrophobicContact CD1-CG 4.12Å; F242-Q265 HydrophobicContact CE1-CG 4.24Å; F242-V267 HydrophobicContact CD1-CG2 4.23Å; F242-V267 HydrophobicContact CE1-CG2 3.82Å; F242-Y277 HydrophobicContact CE1-CD1 4.11Å; F242-Y277 AromaticContact CE1-CE1 3.72Å; F242-Y277 HydrophobicContact CE1-CE1 3.72Å; F242-Y277 HydrophobicContact CZ-CE1 4.12Å
243N95.5Very high93.7Very high22 Ų2259 Ų5912%0.11830%0.303CS..THydrogen-bonded Turntrans-61.1-29-178.770.1-60.2000113.8E163 T245 V264 Q265 R266 L280E163-N243 HydrophobicContact CB-CB 4.34Å; E163-N243 PolarHBondContact N-O 2.93Å; E163-N243 PolarHBondContact OE2-ND2 3.36Å; N243-T245 VanDerWaalsContact C-N 3.33Å; N243-V264 HydrophobicContact CB-CG1 4Å; N243-Q265 PolarHBondContact N-O 3.46Å; N243-R266 PolarHBondContact ND2-NE 3.35Å; N243-R266 VanDerWaalsContact ND2-NE 3.11Å; N243-R266 PolarHBondContact ND2-NH2 3.42Å; N243-L280 HydrophobicContact CB-CD1 3.75Å
244D95.1Very high93.7Very high109 Ų10951.6 Ų51.658%0.58327%0.27SS*.THydrogen-bonded Turntrans-83.4-5.617967.2-33000114.1F242 K246F242-D244 WeakPolarHBondContact CB-OD1 3.38Å; F242-D244 PolarHBondContact O-N 2.85Å; D244-K246 PolarHBondContact O-N 3.05Å
245T95.6Very high93.6Very high29 Ų2953.8 Ų53.818%0.17828%0.282CS..  trans-58.2134.2176.2-50.60000110.1T161 V162 F242 N243 A249T161-T245 CarbonylContact C-O 3.35Å; T161-T245 WeakPolarHBondContact CA-O 3.32Å; V162-T245 WeakPolarHBondContact CG2-O 3.3Å; V162-T245 PolarHBondContact N-O 3.33Å; F242-T245 PolarHBondContact N-OG1 2.97Å; F242-T245 WeakPolarHBondContact O-CB 3.35Å; F242-T245 PolarHBondContact O-N 2.82Å; F242-T245 VanDerWaalsContact O-N 3.11Å; F242-T245 PolarHBondContact O-OG1 3.16Å; N243-T245 VanDerWaalsContact C-N 3.33Å; T245-A249 HydrophobicContact CG2-CB 4.25Å
246K96.1Very high93.5Very high83 Ų8356.6 Ų56.636%0.36128%0.283SS..BIsolated β-bridgetrans-77.7148.5177.6-62.2-58.6-177.5-172.60111.4T159 K160 T161 D244 D248 A249 M250T159-K246 PolarHBondContact O-NZ 3.48Å; K160-K246 WeakPolarHBondContact O-CD 3.49Å; T161-K246 HydrophobicContact CG2-CD 4.05Å; T161-K246 VanDerWaalsContact CG2-NZ 3.32Å; D244-K246 PolarHBondContact O-N 3.05Å; K246-D248 VanDerWaalsContact C-N 3.26Å; K246-D248 WeakPolarHBondContact CB-OD1 3.4Å; K246-D248 PolarHBondContact O-N 2.83Å; K246-A249 PolarHBondContact O-N 3.18Å; K246-M250 PolarHBondContact O-N 3.49Å
247L95.9Very high92.7Very high0 Ų057.3 Ų57.30%030%0.301CS..Hα-helixtrans-67.9-25.2-175.8-60.6-176.2000113.3L157 K160 T161 V162 V165 M250 L251 V288 E291L157-L247 HydrophobicContact CD1-CB 3.29Å; L157-L247 HydrophobicContact CD1-CD1 4.04Å; L157-L247 HydrophobicContact CD1-CG 4.32Å; L157-L247 HydrophobicContact CG-CB 3.78Å; K160-L247 HydrophobicContact CB-CD1 3.6Å; K160-L247 HydrophobicContact CB-CG 4.07Å; K160-L247 HydrophobicContact CD-CD1 4.41Å; K160-L247 PolarHBondContact O-N 2.91Å; T161-L247 WeakPolarHBondContact O-CD2 3.49Å; V162-L247 HydrophobicContact CG2-CD2 4.09Å; V165-L247 HydrophobicContact CG1-CD1 3.78Å; V165-L247 HydrophobicContact CG1-CD2 4.48Å; V165-L247 HydrophobicContact CG2-CD1 4.38Å; V165-L247 HydrophobicContact CG2-CD2 3.58Å; L247-M250 PolarHBondContact O-N 2.92Å; L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 PolarHBondContact O-N 3.4Å; L247-V288 HydrophobicContact CD2-CG2 4.49Å; L247-E291 HydrophobicContact CD1-CB 4.4Å; L247-E291 HydrophobicContact CD1-CG 3.79Å
248D94.4Very high92.1Very high62 Ų6257.5 Ų57.533%0.33230%0.299SS..Hα-helixtrans-67.9-41.6174.562.9-20.2000111.8L157 K246 E252L157-D248 HydrophobicContact CD2-CB 4.03Å; L157-D248 HydrophobicContact CG-CB 4.22Å; K246-D248 VanDerWaalsContact C-N 3.26Å; K246-D248 WeakPolarHBondContact CB-OD1 3.4Å; K246-D248 PolarHBondContact O-N 2.83Å; D248-E252 PolarHBondContact O-N 2.81Å
249A94Very high91.8Very high43 Ų4355.8 Ų55.836%0.35529%0.291SS..Hα-helixtrans-65.6-43.4170.800000111.5T245 K246 L251 E252 E253T245-A249 HydrophobicContact CG2-CB 4.25Å; K246-A249 PolarHBondContact O-N 3.18Å; A249-L251 VanDerWaalsContact C-N 3.35Å; A249-L251 PolarHBondContact O-N 3.47Å; A249-E252 WeakPolarHBondContact O-CB 3.19Å; A249-E252 PolarHBondContact O-N 3.43Å; A249-E252 VanDerWaalsContact O-N 3.16Å; A249-E253 PolarHBondContact O-N 2.99Å
250M94.5Very high91.7Very high0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-59.3-44.1177.7-167.966.5-141.700112.2V162 V241 K246 L247 E252 E253 F254 A262 V283 V288V162-M250 HydrophobicContact CG2-CB 4.09Å; V162-M250 HydrophobicContact CG2-CG 3.96Å; V162-M250 HydrophobicContact CG2-SD 3.97Å; V241-M250 HydrophobicContact CB-SD 4.16Å; V241-M250 HydrophobicContact CG1-CE 3.92Å; V241-M250 HydrophobicContact CG1-SD 3.73Å; V241-M250 HydrophobicContact CG2-CE 4.4Å; V241-M250 HydrophobicContact CG2-SD 4.03Å; K246-M250 PolarHBondContact O-N 3.49Å; L247-M250 PolarHBondContact O-N 2.92Å; M250-E252 VanDerWaalsContact C-N 3.32Å; M250-E252 PolarHBondContact O-N 3.48Å; M250-E253 PolarHBondContact O-N 3.25Å; M250-F254 HydrophobicContact CE-CD1 3.74Å; M250-F254 HydrophobicContact CE-CD2 3.97Å; M250-F254 HydrophobicContact CE-CE1 3.24Å; M250-F254 HydrophobicContact CE-CE2 3.46Å; M250-F254 VanDerWaalsContact CE-CE2 3.46Å; M250-F254 HydrophobicContact CE-CG 4.14Å; M250-F254 HydrophobicContact CE-CZ 3.11Å; M250-F254 HydrophobicContact CG-CD2 4.18Å; M250-F254 HydrophobicContact CG-CE2 3.87Å; M250-F254 HydrophobicContact CG-CZ 4.46Å; M250-F254 PolarHBondContact O-N 3.44Å; M250-A262 HydrophobicContact CE-CB 3.48Å; M250-A262 VanDerWaalsContact CE-CB 3.48Å; M250-V283 HydrophobicContact CE-CG1 4.02Å; M250-V283 HydrophobicContact SD-CG1 4.25Å; M250-V288 HydrophobicContact CG-CG2 4.19Å
251L94Very high91.7Very high33 Ų3353.8 Ų53.817%0.17328%0.282CS..Hα-helixtrans-62.4-40.7176.4-177.263.5000111.5L157 L247 A249 E253 F254 K255 L285 V288 I289 I292L157-L251 HydrophobicContact CD2-CD2 4.07Å; L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 PolarHBondContact O-N 3.4Å; A249-L251 VanDerWaalsContact C-N 3.35Å; A249-L251 PolarHBondContact O-N 3.47Å; L251-E253 VanDerWaalsContact C-N 3.32Å; L251-F254 PolarHBondContact O-N 3.36Å; L251-K255 HydrophobicContact CG-CD 4.15Å; L251-K255 WeakPolarHBondContact O-CB 3.4Å; L251-K255 VanDerWaalsContact O-CG 3.24Å; L251-K255 WeakPolarHBondContact O-CG 3.37Å; L251-K255 PolarHBondContact O-N 3.14Å; L251-L285 HydrophobicContact CD1-CD1 3.76Å; L251-V288 HydrophobicContact CB-CG1 4.06Å; L251-V288 HydrophobicContact CD1-CG1 4.16Å; L251-I289 HydrophobicContact CD1-CD1 3.96Å; L251-I292 HydrophobicContact CD2-CD1 3.86Å
252E91.7Very high91.7Very high92 Ų9253.5 Ų53.543%0.4328%0.281SS..Hα-helixtrans-65.8-36176.6-169.462.4-158.100111.9D248 A249 M250 K255 K256D248-E252 PolarHBondContact O-N 2.81Å; A249-E252 WeakPolarHBondContact O-CB 3.19Å; A249-E252 PolarHBondContact O-N 3.43Å; A249-E252 VanDerWaalsContact O-N 3.16Å; M250-E252 VanDerWaalsContact C-N 3.32Å; M250-E252 PolarHBondContact O-N 3.48Å; E252-K255 PolarHBondContact O-N 3.29Å; E252-K255 IonicContact OE2-NZ 2.67Å; E252-K255 PolarHBondContact OE2-NZ 3.26Å; E252-K256 WeakPolarHBondContact O-CG 3.25Å; E252-K256 PolarHBondContact O-N 2.87Å
253E91.6Very high91.7Very high60 Ų6049.7 Ų49.728%0.2826%0.264SS..Hα-helixtrans-65.1-46.7173.1-71.7-175164.700112.1H239 A249 M250 L251 K255 K256H239-E253 IonicContact CE1-OE2 2.66Å; H239-E253 PolarHBondContact CE1-OE2 3.48Å; H239-E253 VanDerWaalsContact CE1-OE2 3.25Å; H239-E253 IonicContact NE2-OE2 2.61Å; A249-E253 PolarHBondContact O-N 2.99Å; M250-E253 PolarHBondContact O-N 3.25Å; L251-E253 VanDerWaalsContact C-N 3.32Å; E253-K255 VanDerWaalsContact C-N 3.32Å; E253-K255 PolarHBondContact O-N 3.32Å; E253-K256 WeakPolarHBondContact O-CB 3.46Å; E253-K256 PolarHBondContact O-N 3.37Å; E253-K256 VanDerWaalsContact O-N 3.16Å
254F93.4Very high91.8Very high2 Ų248.6 Ų48.61%0.00926%0.258CS..Hα-helixtrans-62.9-37.1175.6-71.9-34.2000113M250 L251 K256 G257 S259 A262 V283 T284 L285 V288M250-F254 HydrophobicContact CE-CD1 3.74Å; M250-F254 HydrophobicContact CE-CD2 3.97Å; M250-F254 HydrophobicContact CE-CE1 3.24Å; M250-F254 HydrophobicContact CE-CE2 3.46Å; M250-F254 VanDerWaalsContact CE-CE2 3.46Å; M250-F254 HydrophobicContact CE-CG 4.14Å; M250-F254 HydrophobicContact CE-CZ 3.11Å; M250-F254 HydrophobicContact CG-CD2 4.18Å; M250-F254 HydrophobicContact CG-CE2 3.87Å; M250-F254 HydrophobicContact CG-CZ 4.46Å; M250-F254 PolarHBondContact O-N 3.44Å; L251-F254 PolarHBondContact O-N 3.36Å; F254-K256 VanDerWaalsContact C-N 3.25Å; F254-K256 PolarHBondContact O-N 3.3Å; F254-G257 PolarHBondContact O-N 2.87Å; F254-S259 WeakPolarHBondContact CD1-O 3.49Å; F254-A262 HydrophobicContact CE1-CB 4.05Å; F254-A262 HydrophobicContact CZ-CB 4.21Å; F254-V283 HydrophobicContact CZ-CG1 4.27Å; F254-T284 WeakPolarHBondContact CE2-O 3.3Å; F254-L285 HydrophobicContact CB-CB 4.43Å; F254-L285 HydrophobicContact CB-CD1 3.83Å; F254-L285 HydrophobicContact CD2-CB 3.92Å; F254-L285 HydrophobicContact CD2-CD1 3.91Å; F254-L285 HydrophobicContact CE2-CB 4.28Å; F254-L285 HydrophobicContact CG-CB 4.21Å; F254-L285 HydrophobicContact CG-CD1 4.25Å; F254-V288 HydrophobicContact CD2-CG2 4.31Å; F254-V288 HydrophobicContact CE2-CG2 3.96Å
255K90.4Very high91.8Very high134 Ų13444.5 Ų44.558%0.58324%0.236SC*.Hα-helixtrans-63.6-26.4175.5-78.3168.461.9-152.80113.8L251 E252 E253 G257L251-K255 HydrophobicContact CG-CD 4.15Å; L251-K255 WeakPolarHBondContact O-CB 3.4Å; L251-K255 VanDerWaalsContact O-CG 3.24Å; L251-K255 WeakPolarHBondContact O-CG 3.37Å; L251-K255 PolarHBondContact O-N 3.14Å; E252-K255 PolarHBondContact O-N 3.29Å; E252-K255 IonicContact OE2-NZ 2.67Å; E252-K255 PolarHBondContact OE2-NZ 3.26Å; E253-K255 VanDerWaalsContact C-N 3.32Å; E253-K255 PolarHBondContact O-N 3.32Å; K255-G257 PolarHBondContact O-N 3.49Å
256K89.2Confident91.8Very high142 Ų14247.3 Ų47.362%0.61724%0.243SC*.THydrogen-bonded Turntrans-66.9-15.1174.6-69.1166.8-170.6168.80112.3E252 E253 F254E252-K256 WeakPolarHBondContact O-CG 3.25Å; E252-K256 PolarHBondContact O-N 2.87Å; E253-K256 WeakPolarHBondContact O-CB 3.46Å; E253-K256 PolarHBondContact O-N 3.37Å; E253-K256 VanDerWaalsContact O-N 3.16Å; F254-K256 VanDerWaalsContact C-N 3.25Å; F254-K256 PolarHBondContact O-N 3.3Å
257G75.9Confident91.6Very high52 Ų5246.1 Ų46.154%0.53624%0.242SC..THydrogen-bonded Turntrans80.918.4170.600000115.1F254 K255F254-G257 PolarHBondContact O-N 2.87Å; K255-G257 PolarHBondContact O-N 3.49Å
258T76.3Confident91.2Very high84 Ų8447.5 Ų47.552%0.51525%0.25SC..SBendtrans-73.4-45178.149.70000112
259S84.9Confident90.9Very high10 Ų1050.2 Ų50.27%0.0726%0.264CS..  trans-157.3154.5173.5-177.40000109.3F254 L261F254-S259 WeakPolarHBondContact CD1-O 3.49Å; S259-L261 WeakPolarHBondContact CB-O 3.47Å; S259-L261 PolarHBondContact OG-N 2.84Å; S259-L261 VanDerWaalsContact OG-N 3.16Å; S259-L261 PolarHBondContact OG-O 2.75Å
260H91.8Very high90.3Very high75 Ų7556.2 Ų56.235%0.34729%0.285SS..SBendtrans-105.26.6170.5-60.9173.8000112.4T284 L285H260-T284 VanDerWaalsContact O-CA 3.31Å; H260-T284 WeakPolarHBondContact O-CA 3.2Å; H260-L285 HydrophobicContact CB-CB 4.16Å; H260-L285 PolarHBondContact O-N 3.06Å
261L94.4Very high89.6Confident8 Ų859.2 Ų59.24%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-130.7130.1172.5-178.9154.9000107.7R196 L210 S259 I282 T284R196-L261 HydrophobicContact CB-CD1 3.89Å; L210-L261 HydrophobicContact CD1-CD2 4.19Å; S259-L261 WeakPolarHBondContact CB-O 3.47Å; S259-L261 PolarHBondContact OG-N 2.84Å; S259-L261 VanDerWaalsContact OG-N 3.16Å; S259-L261 PolarHBondContact OG-O 2.75Å; L261-I282 HydrophobicContact CD1-CD1 4.24Å; L261-I282 HydrophobicContact CD2-CG2 4.46Å; L261-T284 HydrophobicContact CG-CG2 4.49Å
262A95.4Very high88.5Confident0 Ų067.8 Ų67.80%036%0.355CS..EExtended strand (participates in β ladder)trans-125.3146.1175.500000110.9H239 V241 M250 F254 I282 V283H239-A262 HydrophobicContact CB-CB 4.34Å; H239-A262 CarbonylContact O-C 3.42Å; H239-A262 VanDerWaalsContact O-CA 3.22Å; H239-A262 WeakPolarHBondContact O-CA 3.45Å; V241-A262 HydrophobicContact CG1-CB 4.1Å; V241-A262 HydrophobicContact CG2-CB 3.88Å; M250-A262 HydrophobicContact CE-CB 3.48Å; M250-A262 VanDerWaalsContact CE-CB 3.48Å; F254-A262 HydrophobicContact CE1-CB 4.05Å; F254-A262 HydrophobicContact CZ-CB 4.21Å; A262-I282 CarbonylContact O-C 3.6Å; A262-I282 VanDerWaalsContact O-CA 3.3Å; A262-I282 WeakPolarHBondContact O-CA 3.26Å; A262-V283 HydrophobicContact CB-CG1 3.93Å; A262-V283 PolarHBondContact N-O 2.86Å; A262-V283 PolarHBondContact O-N 3.44Å
263I96.2Very high88Confident3 Ų366.5 Ų66.52%0.01537%0.366CS..EExtended strand (participates in β ladder)trans-92.1125.1176.5-60.6163.2000107.6I207 L238 H239 F240 V241 V279I207-I263 HydrophobicContact CB-CD1 4Å; I207-I263 HydrophobicContact CD1-CD1 4.04Å; I207-I263 HydrophobicContact CD1-CG1 4.14Å; I207-I263 HydrophobicContact CD1-CG2 4.02Å; I207-I263 HydrophobicContact CG2-CD1 3.62Å; L238-I263 HydrophobicContact CB-CD1 4.39Å; L238-I263 HydrophobicContact CD1-CD1 4.25Å; L238-I263 HydrophobicContact CD2-CD1 4.01Å; L238-I263 HydrophobicContact CG-CD1 4.47Å; H239-I263 PolarHBondContact O-N 2.89Å; F240-I263 WeakPolarHBondContact CA-O 3.35Å; F240-I263 HydrophobicContact CD1-CB 3.75Å; F240-I263 HydrophobicContact CD1-CD1 4.35Å; F240-I263 HydrophobicContact CD1-CG2 3.85Å; F240-I263 HydrophobicContact CE1-CB 3.86Å; F240-I263 HydrophobicContact CE1-CD1 3.73Å; F240-I263 HydrophobicContact CE1-CG1 4.42Å; F240-I263 HydrophobicContact CE1-CG2 3.74Å; F240-I263 HydrophobicContact CZ-CD1 3.9Å; V241-I263 PolarHBondContact N-O 3.28Å; I263-V279 HydrophobicContact CG2-CG1 3.7Å; I263-V279 HydrophobicContact CG2-CG2 4.2Å
264V96.8Very high87.8Confident0 Ų070.9 Ų70.90%039%0.392CS..EExtended strand (participates in β ladder)trans-92.5124.3-177.9-170.70000109.1V162 M166 V241 N243 L280 G281 V283V162-V264 HydrophobicContact CG1-CB 4.28Å; V162-V264 HydrophobicContact CG1-CG1 3.84Å; V162-V264 HydrophobicContact CG1-CG2 3.39Å; M166-V264 HydrophobicContact CB-CG2 4.08Å; M166-V264 HydrophobicContact SD-CB 4.12Å; M166-V264 HydrophobicContact SD-CG1 3.86Å; M166-V264 HydrophobicContact SD-CG2 4.44Å; V241-V264 HydrophobicContact CG2-CG2 4.15Å; V241-V264 WeakPolarHBondContact O-CA 3.46Å; N243-V264 HydrophobicContact CB-CG1 4Å; V264-L280 PolarHBondContact O-N 3.5Å; V264-G281 PolarHBondContact N-O 2.87Å; V264-G281 PolarHBondContact O-N 3.07Å; V264-V283 HydrophobicContact CG2-CB 4.05Å; V264-V283 HydrophobicContact CG2-CG1 3.84Å
265Q95.8Very high87.5Confident22 Ų2274.6 Ų74.610%0.10342%0.416CS..EExtended strand (participates in β ladder)trans-127.8153.517963.8-179.43200112V241 F242 N243 E278V241-Q265 PolarHBondContact O-N 3.06Å; F242-Q265 WeakPolarHBondContact CA-O 3.37Å; F242-Q265 HydrophobicContact CD1-CG 4.12Å; F242-Q265 HydrophobicContact CE1-CG 4.24Å; N243-Q265 PolarHBondContact N-O 3.46Å; Q265-E278 CarbonylContact C-O 3.52Å; Q265-E278 VanDerWaalsContact CA-O 3.22Å; Q265-E278 WeakPolarHBondContact CA-O 3.26Å
266R94.5Very high87.5Confident89 Ų8973.5 Ų73.534%0.33641%0.411SS..EExtended strand (participates in β ladder)trans-118.7146.3172.1-179.5-178.9-68.1168.10.1109.3E163 N243 N268 Y277 E278 L280E163-R266 IonicContact OE1-CZ 3.99Å; E163-R266 IonicContact OE1-NH2 2.72Å; E163-R266 PolarHBondContact OE1-NH2 3.27Å; E163-R266 IonicContact OE2-CZ 3.92Å; E163-R266 IonicContact OE2-NH2 2.77Å; E163-R266 PolarHBondContact OE2-NH2 3.17Å; N243-R266 PolarHBondContact ND2-NE 3.35Å; N243-R266 VanDerWaalsContact ND2-NE 3.11Å; N243-R266 PolarHBondContact ND2-NH2 3.42Å; R266-N268 PolarHBondContact O-N 3.33Å; R266-Y277 WeakPolarHBondContact O-CA 3.27Å; R266-E278 PolarHBondContact N-O 3.01Å; R266-E278 PolarHBondContact O-N 3.07Å; R266-L280 HydrophobicContact CB-CD1 3.93Å; R266-L280 HydrophobicContact CB-CD2 4.46Å; R266-L280 HydrophobicContact CB-CG 4.18Å
267V92.5Very high87.6Confident57 Ų5773.7 Ų73.735%0.34541%0.41SS..EExtended strand (participates in β ladder)trans-80.8113.1169.2-172.50000108.1F242 P275 Y277F242-V267 HydrophobicContact CD1-CG2 4.23Å; F242-V267 HydrophobicContact CE1-CG2 3.82Å; V267-P275 HydrophobicContact CG1-CB 3.97Å; V267-Y277 HydrophobicContact CG2-CD1 4.03Å; V267-Y277 HydrophobicContact CG2-CE1 3.77Å
268N88.5Confident88.4Confident30 Ų3075.1 Ų75.116%0.1640%0.402CS..EExtended strand (participates in β ladder)trans-91.5115.8174.8-163.8-27000109.1R266 E270 P275 F276 E278R266-N268 PolarHBondContact O-N 3.33Å; N268-E270 WeakPolarHBondContact OD1-CB 3.39Å; N268-E270 PolarHBondContact OD1-N 3.39Å; N268-P275 WeakPolarHBondContact O-CA 3.22Å; N268-F276 HydrophobicContact CB-CD2 4.32Å; N268-F276 HydrophobicContact CB-CE1 4.15Å; N268-F276 HydrophobicContact CB-CE2 3.9Å; N268-F276 HydrophobicContact CB-CZ 3.8Å; N268-F276 PolarHBondContact N-O 3.42Å; N268-F276 PolarHBondContact O-N 3.14Å; N268-E278 PolarHBondContact ND2-OE2 3.21Å; N268-E278 VanDerWaalsContact ND2-OE2 3.09Å
269N87.9Confident89.3Confident118 Ų11872 Ų7263%0.63138%0.383SS*.  trans-105.45177.6-58.5-59000111.9G271 P275N269-G271 PolarHBondContact O-N 3.43Å; N269-P275 WeakPolarHBondContact OD1-CB 3.46Å
270E81.7Confident89.8Confident169 Ų16973 Ų7379%0.7939%0.388SS*.  trans-86.2103.5-176.3-60.9-175173.200109.9N268N268-E270 WeakPolarHBondContact OD1-CB 3.39Å; N268-E270 PolarHBondContact OD1-N 3.39Å
271G78.1Confident90Very high64 Ų6469.5 Ų69.566%0.6637%0.371SS*.SBendtrans150.7164.9175.600000113.2N269 G273N269-G271 PolarHBondContact O-N 3.43Å; G271-G273 PolarHBondContact O-N 3.44Å
272E71.6Confident90.1Very high213 Ų21370 Ų70100%0.99537%0.374SS*.SBendtrans-81.390.8166.6-66.3-167.117600108.6
273G80.2Confident90.1Very high64 Ų6470 Ų7066%0.6637%0.374SS*.SBendtrans172.1178.9-179.700000113.9G271G271-G273 PolarHBondContact O-N 3.44Å
274D87.6Confident90Very high153 Ų15371.3 Ų71.382%0.81838%0.382SS*.SBendtrans-68.8144.6171.3-71.8-29.8000110.3
275P88.3Confident89.8Confident79 Ų7973.3 Ų73.351%0.51339%0.392SS..  trans-64.2139.2179.828.6-35.7000111.1V267 N268 N269V267-P275 HydrophobicContact CG1-CB 3.97Å; N268-P275 WeakPolarHBondContact O-CA 3.22Å; N269-P275 WeakPolarHBondContact OD1-CB 3.46Å
276F89.7Confident89.6Confident111 Ų11176.6 Ų76.649%0.48741%0.408SS..EExtended strand (participates in β ladder)trans-122.4158179.364.9-87.7000111.4N268N268-F276 HydrophobicContact CB-CD2 4.32Å; N268-F276 HydrophobicContact CB-CE1 4.15Å; N268-F276 HydrophobicContact CB-CE2 3.9Å; N268-F276 HydrophobicContact CB-CZ 3.8Å; N268-F276 PolarHBondContact N-O 3.42Å; N268-F276 PolarHBondContact O-N 3.14Å
277Y91.8Very high89.5Confident147 Ų14773.5 Ų73.558%0.57640%0.398SS*.EExtended strand (participates in β ladder)trans-88.9129.3177.8-59.6-68.8000110.3F242 R266 V267F242-Y277 HydrophobicContact CE1-CD1 4.11Å; F242-Y277 AromaticContact CE1-CE1 3.72Å; F242-Y277 HydrophobicContact CE1-CE1 3.72Å; F242-Y277 HydrophobicContact CZ-CE1 4.12Å; R266-Y277 WeakPolarHBondContact O-CA 3.27Å; V267-Y277 HydrophobicContact CG2-CD1 4.03Å; V267-Y277 HydrophobicContact CG2-CE1 3.77Å
278E92.9Very high89.5Confident82 Ų8270.8 Ų70.838%0.38338%0.382SS..EExtended strand (participates in β ladder)trans-111.3124.4175.2-176.217917800109.4Q265 R266 N268Q265-E278 CarbonylContact C-O 3.52Å; Q265-E278 VanDerWaalsContact CA-O 3.22Å; Q265-E278 WeakPolarHBondContact CA-O 3.26Å; R266-E278 PolarHBondContact N-O 3.01Å; R266-E278 PolarHBondContact O-N 3.07Å; N268-E278 PolarHBondContact ND2-OE2 3.21Å; N268-E278 VanDerWaalsContact ND2-OE2 3.09Å
279V95.6Very high89.7Confident19 Ų1971.9 Ų71.912%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-79.7122.5178176.70000109.7L169 S205 I207 I263L169-V279 HydrophobicContact CD1-CG1 4.2Å; L169-V279 HydrophobicContact CD2-CG1 4.35Å; S205-V279 VanDerWaalsContact O-CG2 3.28Å; S205-V279 WeakPolarHBondContact O-CG2 3.38Å; I207-V279 HydrophobicContact CD1-CG1 4.14Å; I263-V279 HydrophobicContact CG2-CG1 3.7Å; I263-V279 HydrophobicContact CG2-CG2 4.2Å
280L95.4Very high89.8Confident31 Ų3167.9 Ų67.916%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-95-33.3-179.5-61.4-176.3000112.8M166 L169 N243 V264 R266M166-L280 HydrophobicContact CE-CB 3.88Å; M166-L280 HydrophobicContact CE-CD1 4.2Å; M166-L280 HydrophobicContact SD-CB 3.89Å; M166-L280 HydrophobicContact SD-CD1 4.48Å; L169-L280 WeakPolarHBondContact CB-O 3.24Å; L169-L280 PolarHBondContact N-O 3.01Å; N243-L280 HydrophobicContact CB-CD1 3.75Å; V264-L280 PolarHBondContact O-N 3.5Å; R266-L280 HydrophobicContact CB-CD1 3.93Å; R266-L280 HydrophobicContact CB-CD2 4.46Å; R266-L280 HydrophobicContact CB-CG 4.18Å
281G95.8Very high90.3Very high0 Ų061.3 Ų61.30%033%0.333CS..EExtended strand (participates in β ladder)trans168.8-159-173.100000113.5T167 V264T167-G281 VanDerWaalsContact O-CA 3.24Å; T167-G281 WeakPolarHBondContact O-CA 3.27Å; V264-G281 PolarHBondContact N-O 2.87Å; V264-G281 PolarHBondContact O-N 3.07Å
282I95.9Very high90.9Very high19 Ų1959.5 Ų59.510%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-127.9153.9177.166.8-177.3000110.5M166 T167 C172 P198 L261 A262M166-I282 WeakPolarHBondContact CA-O 3.37Å; T167-I282 PolarHBondContact N-O 2.95Å; T167-I282 PolarHBondContact O-N 3.3Å; C172-I282 HydrophobicContact CB-CD1 4.44Å; P198-I282 HydrophobicContact CG-CG2 4.37Å; L261-I282 HydrophobicContact CD1-CD1 4.24Å; L261-I282 HydrophobicContact CD2-CG2 4.46Å; A262-I282 CarbonylContact O-C 3.6Å; A262-I282 VanDerWaalsContact O-CA 3.3Å; A262-I282 WeakPolarHBondContact O-CA 3.26Å
283V95.5Very high91.8Very high0 Ų052.4 Ų52.40%028%0.277CS..EExtended strand (participates in β ladder)trans-130.4140.7170.464.10000108.9V162 V165 V241 M250 F254 A262 V264 D287 V288V162-V283 HydrophobicContact CG1-CB 3.94Å; V162-V283 HydrophobicContact CG1-CG1 3.72Å; V162-V283 HydrophobicContact CG1-CG2 4.3Å; V165-V283 HydrophobicContact CG2-CG2 3.99Å; V241-V283 HydrophobicContact CG2-CG1 4.2Å; M250-V283 HydrophobicContact CE-CG1 4.02Å; M250-V283 HydrophobicContact SD-CG1 4.25Å; F254-V283 HydrophobicContact CZ-CG1 4.27Å; A262-V283 HydrophobicContact CB-CG1 3.93Å; A262-V283 PolarHBondContact N-O 2.86Å; A262-V283 PolarHBondContact O-N 3.44Å; V264-V283 HydrophobicContact CG2-CB 4.05Å; V264-V283 HydrophobicContact CG2-CG1 3.84Å; V283-D287 HydrophobicContact CG2-CB 4.34Å; V283-V288 HydrophobicContact CG2-CG2 4.14Å
284T94Very high92.1Very high30 Ų3052.4 Ų52.418%0.18426%0.259CS..EExtended strand (participates in β ladder)trans-115163.7178.168.70000111F254 H260 L261 E286 D287 V288F254-T284 WeakPolarHBondContact CE2-O 3.3Å; H260-T284 VanDerWaalsContact O-CA 3.31Å; H260-T284 WeakPolarHBondContact O-CA 3.2Å; L261-T284 HydrophobicContact CG-CG2 4.49Å; T284-E286 PolarHBondContact O-N 3.48Å; T284-E286 PolarHBondContact OG1-N 2.59Å; T284-D287 WeakPolarHBondContact CB-OD2 3.5Å; T284-D287 PolarHBondContact N-OD2 3Å; T284-D287 PolarHBondContact O-N 2.99Å; T284-D287 PolarHBondContact OG1-N 3.04Å; T284-D287 PolarHBondContact OG1-OD2 2.87Å; T284-V288 PolarHBondContact O-N 3.25Å
285L93Very high92Very high42 Ų4248.3 Ų48.322%0.2224%0.242CC..Hα-helixtrans-60.1-35.6172.4176.159.1000111.4L251 F254 H260 V288 I289L251-L285 HydrophobicContact CD1-CD1 3.76Å; F254-L285 HydrophobicContact CB-CB 4.43Å; F254-L285 HydrophobicContact CB-CD1 3.83Å; F254-L285 HydrophobicContact CD2-CB 3.92Å; F254-L285 HydrophobicContact CD2-CD1 3.91Å; F254-L285 HydrophobicContact CE2-CB 4.28Å; F254-L285 HydrophobicContact CG-CB 4.21Å; F254-L285 HydrophobicContact CG-CD1 4.25Å; H260-L285 HydrophobicContact CB-CB 4.16Å; H260-L285 PolarHBondContact O-N 3.06Å; L285-V288 PolarHBondContact O-N 2.81Å; L285-I289 HydrophobicContact CD1-CD1 4.35Å; L285-I289 HydrophobicContact CD1-CG1 4.08Å; L285-I289 HydrophobicContact CG-CG1 4.33Å; L285-I289 VanDerWaalsContact O-CG1 3.32Å; L285-I289 WeakPolarHBondContact O-CG1 3.08Å; L285-I289 PolarHBondContact O-N 3.46Å
286E91.1Very high91.7Very high91 Ų9149.1 Ų49.143%0.42524%0.239SC..Hα-helixtrans-61-49.3178.6-73157.9-152.700110.8T284 V288 I289 E290T284-E286 PolarHBondContact O-N 3.48Å; T284-E286 PolarHBondContact OG1-N 2.59Å; E286-V288 PolarHBondContact O-N 3.21Å; E286-V288 VanDerWaalsContact O-N 3.15Å; E286-I289 PolarHBondContact O-N 3.21Å; E286-E290 WeakPolarHBondContact O-CG 3.36Å; E286-E290 PolarHBondContact O-N 3.15Å
287D91.8Very high91.3Very high25 Ų2546.9 Ų46.913%0.13423%0.231CC..Hα-helixtrans-54.8-38.8177.5-55.5-53.5000112.2V283 T284 E291V283-D287 HydrophobicContact CG2-CB 4.34Å; T284-D287 WeakPolarHBondContact CB-OD2 3.5Å; T284-D287 PolarHBondContact N-OD2 3Å; T284-D287 PolarHBondContact O-N 2.99Å; T284-D287 PolarHBondContact OG1-N 3.04Å; T284-D287 PolarHBondContact OG1-OD2 2.87Å; D287-E291 WeakPolarHBondContact O-CB 3.31Å; D287-E291 PolarHBondContact O-N 3.41Å
288V93.6Very high90.6Very high0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-71-38.2178.8-179.70000111.4L157 L247 M250 L251 F254 V283 T284 L285 E286 I292L157-V288 HydrophobicContact CD1-CG1 4.1Å; L247-V288 HydrophobicContact CD2-CG2 4.49Å; M250-V288 HydrophobicContact CG-CG2 4.19Å; L251-V288 HydrophobicContact CB-CG1 4.06Å; L251-V288 HydrophobicContact CD1-CG1 4.16Å; F254-V288 HydrophobicContact CD2-CG2 4.31Å; F254-V288 HydrophobicContact CE2-CG2 3.96Å; V283-V288 HydrophobicContact CG2-CG2 4.14Å; T284-V288 PolarHBondContact O-N 3.25Å; L285-V288 PolarHBondContact O-N 2.81Å; E286-V288 PolarHBondContact O-N 3.21Å; E286-V288 VanDerWaalsContact O-N 3.15Å; V288-I292 WeakPolarHBondContact O-CG1 3.36Å; V288-I292 PolarHBondContact O-N 2.97Å
289I92.6Very high89.5Confident53 Ų5342.7 Ų42.727%0.27222%0.221SC..Hα-helixtrans-72.8-38.9178.1-62.6-62.4000111L251 L285 E286 E291 I292 I293 I297L251-I289 HydrophobicContact CD1-CD1 3.96Å; L285-I289 HydrophobicContact CD1-CD1 4.35Å; L285-I289 HydrophobicContact CD1-CG1 4.08Å; L285-I289 HydrophobicContact CG-CG1 4.33Å; L285-I289 VanDerWaalsContact O-CG1 3.32Å; L285-I289 WeakPolarHBondContact O-CG1 3.08Å; L285-I289 PolarHBondContact O-N 3.46Å; E286-I289 PolarHBondContact O-N 3.21Å; I289-E291 PolarHBondContact O-N 2.97Å; I289-I292 HydrophobicContact CD1-CD1 4.29Å; I289-I292 WeakPolarHBondContact O-CB 3.15Å; I289-I292 PolarHBondContact O-N 2.87Å; I289-I293 HydrophobicContact CG2-CD1 3.59Å; I289-I293 HydrophobicContact CG2-CG1 4.22Å; I289-I293 WeakPolarHBondContact O-CG1 3.26Å; I289-I293 PolarHBondContact O-N 2.92Å; I289-I297 HydrophobicContact CB-CD1 4.28Å; I289-I297 HydrophobicContact CG2-CD1 3.69Å
290E90.6Very high88.2Confident33 Ų3350 Ų5015%0.15425%0.254CS..Hα-helixtrans-57.5-40.4173.6-72.4-179159.600111.3E286 I292 I293 K294 S295 I297E286-E290 WeakPolarHBondContact O-CG 3.36Å; E286-E290 PolarHBondContact O-N 3.15Å; E290-I292 VanDerWaalsContact C-N 3.3Å; E290-I292 PolarHBondContact O-N 3.34Å; E290-I293 PolarHBondContact O-N 3.03Å; E290-K294 VanDerWaalsContact O-CA 3.27Å; E290-K294 WeakPolarHBondContact O-CA 3.44Å; E290-K294 PolarHBondContact O-N 3.04Å; E290-S295 PolarHBondContact O-N 2.93Å; E290-I297 HydrophobicContact CG-CB 4.12Å; E290-I297 HydrophobicContact CG-CD1 4.04Å; E290-I297 HydrophobicContact CG-CG1 3.92Å; E290-I297 PolarHBondContact OE1-N 2.93Å
291E91.4Very high86.9Confident31 Ų3151.7 Ų51.715%0.14527%0.266CS..Hα-helixtrans-66.7-31176.4-171.356.6-119.900112.9K160 V165 L247 D287 I289 K294K160-E291 HydrophobicContact CD-CG 3.83Å; K160-E291 WeakPolarHBondContact CD-OE1 3.37Å; K160-E291 VanDerWaalsContact CE-OE1 3.27Å; K160-E291 WeakPolarHBondContact CE-OE1 3.34Å; K160-E291 IonicContact NZ-OE1 2.94Å; K160-E291 PolarHBondContact NZ-OE1 2.85Å; K160-E291 IonicContact NZ-OE2 3.41Å; K160-E291 PolarHBondContact NZ-OE2 3.39Å; V165-E291 HydrophobicContact CG1-CB 4Å; V165-E291 HydrophobicContact CG1-CG 3.8Å; L247-E291 HydrophobicContact CD1-CB 4.4Å; L247-E291 HydrophobicContact CD1-CG 3.79Å; D287-E291 WeakPolarHBondContact O-CB 3.31Å; D287-E291 PolarHBondContact O-N 3.41Å; I289-E291 PolarHBondContact O-N 2.97Å; E291-K294 WeakPolarHBondContact O-CD 3.49Å; E291-K294 WeakPolarHBondContact O-CE 3.45Å; E291-K294 IonicContact OE1-NZ 3.32Å; E291-K294 PolarHBondContact OE1-NZ 3.46Å
292I91.6Very high85.8Confident27 Ų2753.4 Ų53.414%0.13828%0.275CS..Hα-helixtrans-73.3-44.7174.6-67168.3000110.8I150 G153 L157 L251 V288 I289 E290I150-I292 WeakPolarHBondContact CA-O 3.17Å; G153-I292 WeakPolarHBondContact CA-O 3.42Å; L157-I292 HydrophobicContact CD1-CD1 3.99Å; L157-I292 HydrophobicContact CD1-CG1 3.72Å; L157-I292 HydrophobicContact CD2-CD1 4Å; L157-I292 HydrophobicContact CD2-CG1 4.31Å; L251-I292 HydrophobicContact CD2-CD1 3.86Å; V288-I292 WeakPolarHBondContact O-CG1 3.36Å; V288-I292 PolarHBondContact O-N 2.97Å; I289-I292 HydrophobicContact CD1-CD1 4.29Å; I289-I292 WeakPolarHBondContact O-CB 3.15Å; I289-I292 PolarHBondContact O-N 2.87Å; E290-I292 VanDerWaalsContact C-N 3.3Å; E290-I292 PolarHBondContact O-N 3.34Å
293I89.8Confident84.4Confident63 Ų6356.2 Ų56.232%0.32329%0.29SS..Hα-helixtrans-84-18.7-174.3-57.8175.1000111.6I150 I289 E290 S295 I297I150-I293 HydrophobicContact CG1-CB 4.4Å; I150-I293 HydrophobicContact CG1-CG1 4.47Å; I150-I293 HydrophobicContact CG1-CG2 4.1Å; I289-I293 HydrophobicContact CG2-CD1 3.59Å; I289-I293 HydrophobicContact CG2-CG1 4.22Å; I289-I293 WeakPolarHBondContact O-CG1 3.26Å; I289-I293 PolarHBondContact O-N 2.92Å; E290-I293 PolarHBondContact O-N 3.03Å; I293-S295 PolarHBondContact O-N 2.9Å; I293-I297 HydrophobicContact CD1-CD1 4.4Å
294K86.3Confident83.2Confident65 Ų6560.8 Ų60.828%0.28331%0.307SS..THydrogen-bonded Turntrans56.536-171.6-52.6-68.2-173.71710112.5N149 E156 E290 E291N149-K294 HydrophobicContact CB-CB 4.06Å; N149-K294 HydrophobicContact CB-CG 4.29Å; E156-K294 IonicContact OE2-NZ 2.82Å; E156-K294 PolarHBondContact OE2-NZ 3.42Å; E290-K294 VanDerWaalsContact O-CA 3.27Å; E290-K294 WeakPolarHBondContact O-CA 3.44Å; E290-K294 PolarHBondContact O-N 3.04Å; E291-K294 WeakPolarHBondContact O-CD 3.49Å; E291-K294 WeakPolarHBondContact O-CE 3.45Å; E291-K294 IonicContact OE1-NZ 3.32Å; E291-K294 PolarHBondContact OE1-NZ 3.46Å
295S85.1Confident82Confident66 Ų6661.2 Ų61.246%0.46231%0.31SS..SBendtrans-143.7139.4178.5-178.40000108.9E290 I293E290-S295 PolarHBondContact O-N 2.93Å; I293-S295 PolarHBondContact O-N 2.9Å
296E83.1Confident81Confident96 Ų9660.6 Ų60.645%0.44931%0.307SS..  trans-63.9139.5171.9-58-66.6144.300110
297I80.9Confident79.8Confident65 Ų6559.2 Ų59.233%0.33330%0.303SS..  trans-110122.4175.1-63.3172.1000107.2I289 E290 I293I289-I297 HydrophobicContact CB-CD1 4.28Å; I289-I297 HydrophobicContact CG2-CD1 3.69Å; E290-I297 HydrophobicContact CG-CB 4.12Å; E290-I297 HydrophobicContact CG-CD1 4.04Å; E290-I297 HydrophobicContact CG-CG1 3.92Å; E290-I297 PolarHBondContact OE1-N 2.93Å; I293-I297 HydrophobicContact CD1-CD1 4.4Å
298L77.1Confident78.8Confident77 Ų7765 Ų6540%0.40333%0.326SS..  trans-102.8110.3179.4-54.3-179.9000109.4T305 I313L298-T305 HydrophobicContact CD1-CG2 4.15Å; L298-T305 HydrophobicContact CD2-CG2 4.39Å; L298-I313 HydrophobicContact CD1-CD1 4.39Å
299D70Confident77.6Confident64 Ų6469.4 Ų69.434%0.34235%0.354SS..  trans-69.8159.8169.8-17637.5000110.4T301 D302 R316D299-T301 PolarHBondContact O-N 3.24Å; D299-T301 VanDerWaalsContact O-N 3.16Å; D299-T301 PolarHBondContact OD2-OG1 2.89Å; D299-D302 WeakPolarHBondContact CB-OD2 3.26Å; D299-D302 PolarHBondContact N-OD2 3.35Å; D299-D302 PolarHBondContact O-N 3.24Å; D299-R316 PolarHBondContact O-NH1 2.77Å; D299-R316 PolarHBondContact O-NH2 3.16Å
300E67.8Low76.6Confident171 Ų17172.8 Ų72.880%0.79937%0.366SS*.THydrogen-bonded Turntrans-57-29179.9-63.6-175.4171.500113.2R316E300-R316 PolarHBondContact O-NH1 2.89Å
301T68.9Low75.7Confident68 Ų6877.9 Ų77.942%0.41739%0.388SS..THydrogen-bonded Turntrans-94.6-9.9-174.360.20000114.7G193 D299G193-T301 PolarHBondContact O-OG1 3.4Å; G193-T301 VanDerWaalsContact O-OG1 3.05Å; D299-T301 PolarHBondContact O-N 3.24Å; D299-T301 VanDerWaalsContact O-N 3.16Å; D299-T301 PolarHBondContact OD2-OG1 2.89Å
302D70.9Confident74.6Confident35 Ų3582.8 Ų82.819%0.18741%0.409CS..  trans-68.4142.7-176.5-67.6-29.2000113.9D299 I313 R316D299-D302 WeakPolarHBondContact CB-OD2 3.26Å; D299-D302 PolarHBondContact N-OD2 3.35Å; D299-D302 PolarHBondContact O-N 3.24Å; D302-I313 WeakPolarHBondContact O-CD1 3.4Å; D302-R316 PolarHBondContact O-NH1 3.02Å
303L67Low73.4Confident79 Ų7982.7 Ų82.741%0.41441%0.409SS..SBendtrans-97-25.9179-65.3-179.9000113.6R191 I313R191-L303 WeakPolarHBondContact O-CD1 3.27Å; L303-I313 PolarHBondContact O-N 3.31Å
304Y71.3Confident71.9Confident95 Ų9586 Ų8637%0.37343%0.432SS..BIsolated β-bridgetrans-122.2148.7-173.2-58.4-77.5000109.5D306 K310 K311Y304-D306 VanDerWaalsContact C-N 3.33Å; Y304-K310 HydrophobicContact CD1-CB 4.47Å; Y304-K310 WeakPolarHBondContact CD1-O 3.33Å; Y304-K311 CarbonylContact C-O 3.5Å; Y304-K311 WeakPolarHBondContact CA-O 3.41Å
305T69.3Low70.4Confident40 Ų4091.4 Ų91.425%0.24546%0.458CS..SBendtrans-77.6-23.6175540000113.4L298 K311 I313L298-T305 HydrophobicContact CD1-CG2 4.15Å; L298-T305 HydrophobicContact CD2-CG2 4.39Å; T305-K311 PolarHBondContact N-O 2.84Å; T305-K311 WeakPolarHBondContact OG1-CB 2.87Å; T305-K311 PolarHBondContact OG1-O 3.31Å; T305-I313 HydrophobicContact CG2-CG1 3.63Å
306D70.4Confident69Low29 Ų2993.2 Ų93.216%0.15545%0.454CS..  trans-159.1132.4177.8156.830.1000107Y304 K308 T309 K310Y304-D306 VanDerWaalsContact C-N 3.33Å; D306-K308 VanDerWaalsContact C-N 3.28Å; D306-K308 PolarHBondContact O-N 3.12Å; D306-K308 WeakPolarHBondContact OD1-CB 2.91Å; D306-K308 PolarHBondContact OD1-N 3.34Å; D306-T309 WeakPolarHBondContact CB-OG1 3.13Å; D306-T309 VanDerWaalsContact OD2-CB 3.27Å; D306-T309 WeakPolarHBondContact OD2-CB 3.2Å; D306-T309 WeakPolarHBondContact OD2-CG2 3.23Å; D306-T309 PolarHBondContact OD2-N 3.05Å; D306-T309 PolarHBondContact OD2-OG1 2.87Å; D306-K310 WeakPolarHBondContact O-CA 3.42Å; D306-K310 PolarHBondContact O-N 2.92Å
307N66.9Low67.4Low61 Ų6196 Ų9633%0.32647%0.472SS..THydrogen-bonded Turntrans-68.6-26-178.7-72-41.9000112.7K310N307-K310 WeakPolarHBondContact O-CG 3.1Å
308K70Confident66.1Low146 Ų146100.9 Ų100.964%0.63549%0.487SS*.THydrogen-bonded Turntrans-76.2-48.3178.7-63.8175-179.21690111.3D306D306-K308 VanDerWaalsContact C-N 3.28Å; D306-K308 PolarHBondContact O-N 3.12Å; D306-K308 WeakPolarHBondContact OD1-CB 2.91Å; D306-K308 PolarHBondContact OD1-N 3.34Å
309T69.8Low64.9Low94 Ų94106.7 Ų106.758%0.57751%0.509SS*.THydrogen-bonded Turntrans-81.7-13.1179.655.60000113.8D306 K311D306-T309 WeakPolarHBondContact CB-OG1 3.13Å; D306-T309 VanDerWaalsContact OD2-CB 3.27Å; D306-T309 WeakPolarHBondContact OD2-CB 3.2Å; D306-T309 WeakPolarHBondContact OD2-CG2 3.23Å; D306-T309 PolarHBondContact OD2-N 3.05Å; D306-T309 PolarHBondContact OD2-OG1 2.87Å; T309-K311 PolarHBondContact O-N 2.54Å
310K71.6Confident64.2Low123 Ų123109.2 Ų109.254%0.53552%0.518SS..THydrogen-bonded Turntrans49.530.4-178.1-59.9-171.1-179.2-1780112.6D171 Y304 D306 N307 K312D171-K310 IonicContact OD1-NZ 3.54Å; D171-K310 PolarHBondContact OD1-NZ 3.15Å; Y304-K310 HydrophobicContact CD1-CB 4.47Å; Y304-K310 WeakPolarHBondContact CD1-O 3.33Å; D306-K310 WeakPolarHBondContact O-CA 3.42Å; D306-K310 PolarHBondContact O-N 2.92Å; N307-K310 WeakPolarHBondContact O-CG 3.1Å; K310-K312 PolarHBondContact O-N 2.8Å
311K70.8Confident63.8Low140 Ų140103.8 Ų103.861%0.60950%0.495SS*.PPolyproline II helixtrans-75.6117.4-179.8-175.1-179.6-178.2-1760108.6Y304 T305 T309Y304-K311 CarbonylContact C-O 3.5Å; Y304-K311 WeakPolarHBondContact CA-O 3.41Å; T305-K311 PolarHBondContact N-O 2.84Å; T305-K311 WeakPolarHBondContact OG1-CB 2.87Å; T305-K311 PolarHBondContact OG1-O 3.31Å; T309-K311 PolarHBondContact O-N 2.54Å
312K68.4Low63.6Low134 Ų134102.7 Ų102.758%0.58348%0.484SS*.BIsolated β-bridgetrans-74.6138.5-176.8-165.8178.9178.9-171.70110.8K310 T314K310-K312 PolarHBondContact O-N 2.8Å; K312-T314 PolarHBondContact O-N 2.65Å
313I66.7Low63.1Low26 Ų26103.2 Ų103.213%0.13349%0.491CS..PPolyproline II helixtrans-69.2117.4175.6-60.5165.6000109L298 D302 L303 T305 R316L298-I313 HydrophobicContact CD1-CD1 4.39Å; D302-I313 WeakPolarHBondContact O-CD1 3.4Å; L303-I313 PolarHBondContact O-N 3.31Å; T305-I313 HydrophobicContact CG2-CG1 3.63Å; I313-R316 HydrophobicContact CG2-CB 4.14Å; I313-R316 HydrophobicContact CG2-CG 3.85Å
314T57.8Low62.6Low133 Ų133101.2 Ų101.282%0.81649%0.486SS*.THydrogen-bonded Turntrans-74.8-21.5-174.428.50000114.6K312K312-T314 PolarHBondContact O-N 2.65Å
315H54.8Low62.1Low178 Ų17897.3 Ų97.382%0.82447%0.471SS*.THydrogen-bonded Turntrans-105.23.4-173.4-76-75.8000115.3D317H315-D317 PolarHBondContact O-N 2.88Å
316R55.5Low61.8Low103 Ų10399.5 Ų99.539%0.38948%0.477SS..  trans-99.390.8176.2-74.6-175.7179.2174.6-2.9109.9D299 E300 D302 I313 R318D299-R316 PolarHBondContact O-NH1 2.77Å; D299-R316 PolarHBondContact O-NH2 3.16Å; E300-R316 PolarHBondContact O-NH1 2.89Å; D302-R316 PolarHBondContact O-NH1 3.02Å; I313-R316 HydrophobicContact CG2-CB 4.14Å; I313-R316 HydrophobicContact CG2-CG 3.85Å; R316-R318 PolarHBondContact O-N 3Å
317D50Low61.2Low154 Ų154101.2 Ų101.282%0.82449%0.49SS*.  trans-56.9125.9164.7-87.5-36.1000108.8H315 K319H315-D317 PolarHBondContact O-N 2.88Å; D317-K319 PolarHBondContact O-N 3.26Å
318R53.8Low60.7Low169 Ų169103.1 Ų103.164%0.63850%0.503SS*.  trans-50.5100.7175.1-74.1179.3172174.12108.7R316 Q320 D321R316-R318 PolarHBondContact O-N 3Å; R318-Q320 PolarHBondContact O-N 3.46Å; R318-D321 IonicContact CZ-OD2 3.96Å; R318-D321 IonicContact NH1-OD2 2.95Å; R318-D321 PolarHBondContact NH1-OD2 3.18Å
319K50.8Low59.8Low198 Ų198102.8 Ų102.886%0.86151%0.509SS*.SBendtrans-63.4-28.5-175.1-101.1-178.9176.9174.90112.1D317D317-K319 PolarHBondContact O-N 3.26Å
320Q56.7Low58.8Low117 Ų117105.6 Ų105.655%0.54752%0.52SS..  trans-150.1103.2-179.5-61.7177-4.800111R318 F322R318-Q320 PolarHBondContact O-N 3.46Å; Q320-F322 HydrophobicContact CB-CD2 4.38Å; Q320-F322 HydrophobicContact CB-CE1 4.5Å; Q320-F322 HydrophobicContact CB-CE2 3.79Å; Q320-F322 HydrophobicContact CB-CZ 3.86Å; Q320-F322 PolarHBondContact O-N 3.45Å; Q320-F322 VanDerWaalsContact OE1-CZ 3.22Å
321D58.1Low57.8Low57 Ų57108.2 Ų108.231%0.30553%0.534SS..  trans-86.486.8176.1-151.9-24.9000109.9R318 S323 A324R318-D321 IonicContact CZ-OD2 3.96Å; R318-D321 IonicContact NH1-OD2 2.95Å; R318-D321 PolarHBondContact NH1-OD2 3.18Å; D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.19Å; D321-S323 VanDerWaalsContact O-N 3.12Å; D321-S323 VanDerWaalsContact OD1-CB 3.26Å; D321-S323 WeakPolarHBondContact OD1-CB 3.3Å; D321-S323 PolarHBondContact OD1-N 3.4Å; D321-S323 PolarHBondContact OD1-OG 3.25Å; D321-A324 PolarHBondContact O-N 3.35Å
322F64.6Low57.1Low45 Ų45104.6 Ų104.620%0.19752%0.52CS..G310 helixtrans-64.5-11.9178.6-62.9-77.1000113.4A187 Q320 A324 F325 L342A187-F322 HydrophobicContact CB-CB 3.88Å; Q320-F322 HydrophobicContact CB-CD2 4.38Å; Q320-F322 HydrophobicContact CB-CE1 4.5Å; Q320-F322 HydrophobicContact CB-CE2 3.79Å; Q320-F322 HydrophobicContact CB-CZ 3.86Å; Q320-F322 PolarHBondContact O-N 3.45Å; Q320-F322 VanDerWaalsContact OE1-CZ 3.22Å; F322-A324 PolarHBondContact O-N 3.49Å; F322-A324 VanDerWaalsContact O-N 3.16Å; F322-F325 PolarHBondContact O-N 3.12Å; F322-L342 HydrophobicContact CD1-CD2 4.37Å; F322-L342 HydrophobicContact CE1-CD1 4.45Å; F322-L342 HydrophobicContact CE1-CD2 4.13Å
323S60.2Low56.5Low46 Ų46107.3 Ų107.332%0.32253%0.532SS..G310 helixtrans-58.2-28.1175.468.40000112.5D321 F325 K326D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.19Å; D321-S323 VanDerWaalsContact O-N 3.12Å; D321-S323 VanDerWaalsContact OD1-CB 3.26Å; D321-S323 WeakPolarHBondContact OD1-CB 3.3Å; D321-S323 PolarHBondContact OD1-N 3.4Å; D321-S323 PolarHBondContact OD1-OG 3.25Å; S323-F325 PolarHBondContact O-N 3.11Å; S323-K326 WeakPolarHBondContact O-CB 3.42Å; S323-K326 WeakPolarHBondContact O-CG 3.23Å; S323-K326 PolarHBondContact O-N 3.22Å; S323-K326 VanDerWaalsContact O-N 3.17Å
324A58.3Low56.5Low37 Ų37107 Ų10731%0.30653%0.531SS..G310 helixtrans-74-6.817800000113.2D321 F322 L366 K370D321-A324 PolarHBondContact O-N 3.35Å; F322-A324 PolarHBondContact O-N 3.49Å; F322-A324 VanDerWaalsContact O-N 3.16Å; A324-L366 HydrophobicContact CB-CD2 3.17Å; A324-L366 HydrophobicContact CB-CG 4.18Å; A324-K370 WeakPolarHBondContact O-CE 3.43Å; A324-K370 PolarHBondContact O-NZ 2.97Å
325F60.1Low57.1Low14 Ų14109 Ų1096%0.06153%0.529CS..G310 helixtrans-100.6-1.8170.8-66.2-84000113.4F183 F322 S323 L341 L342 L345 L366F183-F325 HydrophobicContact CE1-CB 3.51Å; F183-F325 HydrophobicContact CE2-CB 4.44Å; F183-F325 HydrophobicContact CZ-CB 3.38Å; F183-F325 HydrophobicContact CZ-CG 4.19Å; F322-F325 PolarHBondContact O-N 3.12Å; S323-F325 PolarHBondContact O-N 3.11Å; F325-L341 HydrophobicContact CD1-CB 4.24Å; F325-L341 HydrophobicContact CD1-CD2 3.91Å; F325-L341 HydrophobicContact CD1-CG 3.83Å; F325-L341 HydrophobicContact CE1-CD2 4.41Å; F325-L341 HydrophobicContact CE1-CG 3.98Å; F325-L342 HydrophobicContact CD1-CB 4.05Å; F325-L342 HydrophobicContact CD2-CD1 4.13Å; F325-L342 VanDerWaalsContact CE1-CA 3.48Å; F325-L342 HydrophobicContact CE1-CB 3.99Å; F325-L342 HydrophobicContact CE1-CD1 4.01Å; F325-L342 HydrophobicContact CE2-CD1 3.57Å; F325-L342 HydrophobicContact CG-CB 4.5Å; F325-L342 HydrophobicContact CZ-CB 4.38Å; F325-L342 HydrophobicContact CZ-CD1 3.51Å; F325-L345 HydrophobicContact CE1-CB 4.13Å; F325-L345 HydrophobicContact CE1-CD1 4.4Å; F325-L345 HydrophobicContact CZ-CB 4.08Å; F325-L345 HydrophobicContact CZ-CD1 3.97Å; F325-L345 HydrophobicContact CZ-CD2 3.98Å; F325-L345 HydrophobicContact CZ-CG 4.2Å; F325-L366 HydrophobicContact CD1-CD1 3.87Å; F325-L366 HydrophobicContact CD1-CD2 4.47Å; F325-L366 HydrophobicContact CD2-CD2 4.06Å; F325-L366 HydrophobicContact CE1-CD1 3.43Å; F325-L366 VanDerWaalsContact CE1-CD1 3.43Å; F325-L366 HydrophobicContact CE1-CD2 4.08Å; F325-L366 HydrophobicContact CE1-CG 4.42Å; F325-L366 HydrophobicContact CE2-CD2 3.64Å; F325-L366 HydrophobicContact CG-CD2 4.45Å; F325-L366 HydrophobicContact CZ-CD1 3.8Å; F325-L366 HydrophobicContact CZ-CD2 3.65Å; F325-L366 HydrophobicContact CZ-CG 4.34Å
326K63.6Low58.4Low85 Ų85102 Ų10237%0.3750%0.497SS..SBendtrans-55.2135.3174.1-71.5-176172.7-164.70110S323 T328S323-K326 WeakPolarHBondContact O-CB 3.42Å; S323-K326 WeakPolarHBondContact O-CG 3.23Å; S323-K326 PolarHBondContact O-N 3.22Å; S323-K326 VanDerWaalsContact O-N 3.17Å; K326-T328 PolarHBondContact O-N 2.92Å
327P57.5Low59.7Low66 Ų6698.8 Ų98.843%0.42949%0.49SS..  trans-64.5106.8172.826.1-30.7000108D329P327-D329 PolarHBondContact O-N 2.95Å
328T56Low61.3Low100 Ų10092.5 Ų92.561%0.61346%0.458SS*.  trans-75104.1162.6220000106.4K326 N330K326-T328 PolarHBondContact O-N 2.92Å; T328-N330 PolarHBondContact O-N 3.19Å
329D50.7Low62.7Low139 Ų13987.5 Ų87.574%0.74344%0.442SS*.THydrogen-bonded Turntrans-59.5-4.9-173.2-89.7-34.2000115.3P327P327-D329 PolarHBondContact O-N 2.95Å
330N48.8Very low64.6Low154 Ų15479.1 Ų79.182%0.82441%0.406SS*.THydrogen-bonded Turntrans-115.4-5.5-163.3-106.14.4000120T328T328-N330 PolarHBondContact O-N 3.19Å
331E51.7Low66.1Low177 Ų17774.1 Ų74.183%0.82738%0.383SS*.SBendtrans-145.24.1-174.3-70.7-167.3168.300118.1
332M54.8Low67.5Low64 Ų6473.2 Ų73.232%0.31538%0.378SS..  trans-95118.5173.5-78.8-179.790.100111.6V334 I375M332-V334 PolarHBondContact O-N 3Å; M332-I375 HydrophobicContact CE-CB 4.27Å; M332-I375 HydrophobicContact CE-CD1 3.57Å; M332-I375 HydrophobicContact CE-CG1 4.26Å
333K57Low68.7Low191 Ų19173 Ų7383%0.8339%0.385SS*.SBendtrans-61-22.1176.7-166.5175.3-179.6-178.20113.2
334V64.8Low70.2Confident19 Ų1970.9 Ų70.912%0.11537%0.37CS..SBendtrans-127.3120.3178.6-177.90000108.5M332 I336 I375 E377M332-V334 PolarHBondContact O-N 3Å; V334-I336 HydrophobicContact CG1-CG1 4.38Å; V334-I375 HydrophobicContact CB-CG2 4.18Å; V334-I375 HydrophobicContact CG1-CG2 4.1Å; V334-E377 HydrophobicContact CG1-CB 4.17Å; V334-E377 HydrophobicContact CG2-CB 4.19Å
335K70.9Confident71.8Confident175 Ų17569.5 Ų69.576%0.76136%0.357SS*.  trans-82.5121.5178.9-63.2-170.8177.9-166.40109.9
336I82.6Confident73.2Confident33 Ų3374.9 Ų74.917%0.16938%0.377CS..  trans-121144.7175.1-67.7-156.3000108.8V334 L340 L341 I375 L406V334-I336 HydrophobicContact CG1-CG1 4.38Å; I336-L340 HydrophobicContact CG2-CB 3.94Å; I336-L340 HydrophobicContact CG2-CD2 3.96Å; I336-L340 HydrophobicContact CG2-CG 3.98Å; I336-L341 HydrophobicContact CG2-CB 4.43Å; I336-I375 HydrophobicContact CD1-CB 4.39Å; I336-I375 HydrophobicContact CD1-CD1 3.94Å; I336-I375 HydrophobicContact CD1-CG1 4.42Å; I336-I375 HydrophobicContact CD1-CG2 3.19Å; I336-I375 HydrophobicContact CG1-CG2 3.84Å; I336-L406 HydrophobicContact CD1-CD1 3.47Å; I336-L406 VanDerWaalsContact CD1-CD1 3.47Å
337S83.3Confident74.7Confident34 Ų3472.9 Ų72.924%0.23837%0.369CS..  trans-65139.7176.473.30000110.6D222 Q339 L340 L341D222-S337 VanDerWaalsContact OD1-CB 3.23Å; D222-S337 WeakPolarHBondContact OD1-CB 3.04Å; D222-S337 PolarHBondContact OD1-OG 3.16Å; D222-S337 WeakPolarHBondContact OD2-CB 2.92Å; D222-S337 PolarHBondContact OD2-OG 2.96Å; S337-Q339 PolarHBondContact O-N 3.32Å; S337-L340 PolarHBondContact O-N 3.23Å; S337-L340 VanDerWaalsContact O-N 3.13Å; S337-L340 VanDerWaalsContact OG-CB 3.3Å; S337-L340 WeakPolarHBondContact OG-CB 3.45Å; S337-L340 PolarHBondContact OG-N 3.16Å; S337-L341 PolarHBondContact O-N 3.17Å
338P83.4Confident76.3Confident22 Ų2269.8 Ų69.814%0.14335%0.348CS..Hα-helixtrans-54.3-34.9176.8-29.537.6000113.1F183 L341 L342F183-P338 HydrophobicContact CB-CB 3.95Å; F183-P338 HydrophobicContact CB-CG 4.1Å; F183-P338 HydrophobicContact CD1-CB 3.53Å; F183-P338 HydrophobicContact CD1-CG 4.1Å; F183-P338 HydrophobicContact CD2-CB 3.59Å; F183-P338 HydrophobicContact CE1-CB 3.89Å; F183-P338 HydrophobicContact CE2-CB 3.93Å; F183-P338 HydrophobicContact CG-CB 3.38Å; F183-P338 HydrophobicContact CG-CG 4.01Å; F183-P338 HydrophobicContact CZ-CB 4.08Å; P338-L341 PolarHBondContact O-N 2.66Å; P338-L342 WeakPolarHBondContact O-CB 3.46Å; P338-L342 PolarHBondContact O-N 3.26Å
339Q83.6Confident78Confident65 Ų6565.3 Ų65.330%0.30432%0.321SS..Hα-helixtrans-66.6-43.6178.3-169.564.3-0.400112D222 S337 L341 L342 A343D222-Q339 WeakPolarHBondContact OD1-CB 3.22Å; S337-Q339 PolarHBondContact O-N 3.32Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; Q339-L341 PolarHBondContact O-N 3.5Å; Q339-L342 PolarHBondContact O-N 3.47Å; Q339-A343 WeakPolarHBondContact O-CB 3.39Å; Q339-A343 PolarHBondContact O-N 3.12Å
340L89.4Confident79.9Confident21 Ų2161.7 Ų61.711%0.1130%0.304CS..Hα-helixtrans-64.9-37.5174.2-179.857.1000111.9I336 S337 A343 A344 L406 Q407 F426I336-L340 HydrophobicContact CG2-CB 3.94Å; I336-L340 HydrophobicContact CG2-CD2 3.96Å; I336-L340 HydrophobicContact CG2-CG 3.98Å; S337-L340 PolarHBondContact O-N 3.23Å; S337-L340 VanDerWaalsContact O-N 3.13Å; S337-L340 VanDerWaalsContact OG-CB 3.3Å; S337-L340 WeakPolarHBondContact OG-CB 3.45Å; S337-L340 PolarHBondContact OG-N 3.16Å; L340-A343 PolarHBondContact O-N 2.81Å; L340-A344 VanDerWaalsContact O-CB 3.32Å; L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.29Å; L340-L406 HydrophobicContact CD2-CB 4.36Å; L340-Q407 HydrophobicContact CD2-CG 3.8Å; L340-F426 HydrophobicContact CD1-CE2 4.24Å; L340-F426 HydrophobicContact CD1-CZ 4.18Å
341L89.1Confident81.9Confident13 Ų1360.4 Ų60.47%0.06829%0.293CS..Hα-helixtrans-65.6-41.5175-178.362.6000111.7F325 I336 S337 P338 Q339 A344 L345 L366 L369 I375F325-L341 HydrophobicContact CD1-CB 4.24Å; F325-L341 HydrophobicContact CD1-CD2 3.91Å; F325-L341 HydrophobicContact CD1-CG 3.83Å; F325-L341 HydrophobicContact CE1-CD2 4.41Å; F325-L341 HydrophobicContact CE1-CG 3.98Å; I336-L341 HydrophobicContact CG2-CB 4.43Å; S337-L341 PolarHBondContact O-N 3.17Å; P338-L341 PolarHBondContact O-N 2.66Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; Q339-L341 PolarHBondContact O-N 3.5Å; L341-A344 PolarHBondContact O-N 3.25Å; L341-L345 WeakPolarHBondContact O-CB 3.4Å; L341-L345 PolarHBondContact O-N 3.18Å; L341-L366 HydrophobicContact CD2-CD1 4.17Å; L341-L366 HydrophobicContact CG-CD1 4.39Å; L341-L369 HydrophobicContact CD1-CB 3.98Å; L341-L369 HydrophobicContact CD1-CD1 4.01Å; L341-I375 HydrophobicContact CD1-CD1 4.1Å
342L87.3Confident83.7Confident38 Ų3852.1 Ų52.120%0.19926%0.255CS..Hα-helixtrans-64.1-45.6175.4178.762.4000111.4F183 F322 F325 P338 Q339 A344 L345 R346F183-L342 HydrophobicContact CE2-CD2 4.34Å; F322-L342 HydrophobicContact CD1-CD2 4.37Å; F322-L342 HydrophobicContact CE1-CD1 4.45Å; F322-L342 HydrophobicContact CE1-CD2 4.13Å; F325-L342 HydrophobicContact CD1-CB 4.05Å; F325-L342 HydrophobicContact CD2-CD1 4.13Å; F325-L342 VanDerWaalsContact CE1-CA 3.48Å; F325-L342 HydrophobicContact CE1-CB 3.99Å; F325-L342 HydrophobicContact CE1-CD1 4.01Å; F325-L342 HydrophobicContact CE2-CD1 3.57Å; F325-L342 HydrophobicContact CG-CB 4.5Å; F325-L342 HydrophobicContact CZ-CB 4.38Å; F325-L342 HydrophobicContact CZ-CD1 3.51Å; P338-L342 WeakPolarHBondContact O-CB 3.46Å; P338-L342 PolarHBondContact O-N 3.26Å; Q339-L342 PolarHBondContact O-N 3.47Å; L342-A344 VanDerWaalsContact C-N 3.34Å; L342-A344 PolarHBondContact O-N 2.92Å; L342-L345 PolarHBondContact O-N 2.8Å; L342-R346 WeakPolarHBondContact O-CB 3.39Å; L342-R346 PolarHBondContact O-N 3.32Å
343A89.3Confident85.4Confident41 Ų4155.3 Ų55.334%0.33927%0.269SS..Hα-helixtrans-60.5-43.6175.600000111.7Q339 L340 R346 F347 F426Q339-A343 WeakPolarHBondContact O-CB 3.39Å; Q339-A343 PolarHBondContact O-N 3.12Å; L340-A343 PolarHBondContact O-N 2.81Å; A343-R346 PolarHBondContact O-N 3.22Å; A343-F347 WeakPolarHBondContact O-CB 3.48Å; A343-F347 PolarHBondContact O-N 3.02Å; A343-F426 HydrophobicContact CB-CZ 3.98Å
344A91.9Very high86.8Confident0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-61.8-47175.100000111.9L340 L341 L342 R346 F347 L348 L406 I519L340-A344 VanDerWaalsContact O-CB 3.32Å; L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.29Å; L341-A344 PolarHBondContact O-N 3.25Å; L342-A344 VanDerWaalsContact C-N 3.34Å; L342-A344 PolarHBondContact O-N 2.92Å; A344-R346 VanDerWaalsContact C-N 3.33Å; A344-R346 PolarHBondContact O-N 3.13Å; A344-F347 PolarHBondContact O-N 3.1Å; A344-L348 WeakPolarHBondContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CG 3.32Å; A344-L348 PolarHBondContact O-N 3.19Å; A344-L406 HydrophobicContact CB-CD2 3.67Å; A344-I519 HydrophobicContact CB-CD1 4.02Å
345L91.2Very high88.1Confident8 Ų845.7 Ų45.74%0.04223%0.226CC..Hα-helixtrans-59.4-45.3176.9-178.3128.9000111.3F325 L341 L342 L348 A349 L365 L366 L369F325-L345 HydrophobicContact CE1-CB 4.13Å; F325-L345 HydrophobicContact CE1-CD1 4.4Å; F325-L345 HydrophobicContact CZ-CB 4.08Å; F325-L345 HydrophobicContact CZ-CD1 3.97Å; F325-L345 HydrophobicContact CZ-CD2 3.98Å; F325-L345 HydrophobicContact CZ-CG 4.2Å; L341-L345 WeakPolarHBondContact O-CB 3.4Å; L341-L345 PolarHBondContact O-N 3.18Å; L342-L345 PolarHBondContact O-N 2.8Å; L345-L348 PolarHBondContact O-N 3.06Å; L345-A349 WeakPolarHBondContact O-CB 3.5Å; L345-A349 PolarHBondContact O-N 3.3Å; L345-L365 HydrophobicContact CD1-CB 4.36Å; L345-L365 HydrophobicContact CD1-CD2 4.34Å; L345-L365 HydrophobicContact CD1-CG 4.09Å; L345-L365 HydrophobicContact CG-CD2 4.14Å; L345-L365 HydrophobicContact CG-CG 4.38Å; L345-L366 HydrophobicContact CD1-CB 3.53Å; L345-L366 HydrophobicContact CD1-CD1 3.99Å; L345-L366 HydrophobicContact CD1-CD2 4.48Å; L345-L366 HydrophobicContact CD1-CG 4.2Å; L345-L369 HydrophobicContact CB-CD1 4.1Å; L345-L369 HydrophobicContact CD1-CD1 4.32Å
346R90.8Very high89Confident127 Ų12740.4 Ų40.448%0.47920%0.203SC..Hα-helixtrans-64.1-46.4-179.5-168.161.4176.21752.3111.3L342 A343 A344 A349 T350 E362L342-R346 WeakPolarHBondContact O-CB 3.39Å; L342-R346 PolarHBondContact O-N 3.32Å; A343-R346 PolarHBondContact O-N 3.22Å; A344-R346 VanDerWaalsContact C-N 3.33Å; A344-R346 PolarHBondContact O-N 3.13Å; R346-A349 PolarHBondContact O-N 3.19Å; R346-T350 HydrophobicContact CG-CG2 4.45Å; R346-T350 WeakPolarHBondContact O-CG2 3.46Å; R346-T350 PolarHBondContact O-N 3.34Å; R346-T350 PolarHBondContact O-OG1 2.87Å; R346-E362 IonicContact NH1-OE1 2.85Å
347F94Very high89.2Confident44 Ų4442 Ų4219%0.19322%0.216CC..Hα-helixtrans-58.8-48.3176.8177.8-97.3000112.2A343 A344 A349 T350 E351 L352 L404 F426 F428A343-F347 WeakPolarHBondContact O-CB 3.48Å; A343-F347 PolarHBondContact O-N 3.02Å; A344-F347 PolarHBondContact O-N 3.1Å; F347-A349 VanDerWaalsContact C-N 3.32Å; F347-A349 PolarHBondContact O-N 3.35Å; F347-T350 PolarHBondContact O-N 3.33Å; F347-E351 HydrophobicContact CD2-CB 4.19Å; F347-E351 HydrophobicContact CD2-CG 3.73Å; F347-E351 HydrophobicContact CE2-CB 3.98Å; F347-E351 HydrophobicContact CE2-CG 3.68Å; F347-E351 HydrophobicContact CG-CG 4.49Å; F347-E351 HydrophobicContact CZ-CB 4.21Å; F347-E351 HydrophobicContact CZ-CG 4.41Å; F347-E351 WeakPolarHBondContact O-CB 3.38Å; F347-E351 PolarHBondContact O-N 3.21Å; F347-L352 HydrophobicContact CE1-CD1 4.21Å; F347-L352 HydrophobicContact CE1-CD2 4.45Å; F347-L352 HydrophobicContact CE1-CG 4.4Å; F347-L404 HydrophobicContact CD1-CD1 4.11Å; F347-L404 HydrophobicContact CD1-CD2 4.06Å; F347-L404 HydrophobicContact CE1-CD1 3.68Å; F347-L404 HydrophobicContact CE1-CD2 4.42Å; F347-F426 HydrophobicContact CB-CD1 3.8Å; F347-F426 HydrophobicContact CB-CE1 3.78Å; F347-F426 AromaticContact CD1-CD1 3.77Å; F347-F426 HydrophobicContact CD1-CD1 3.77Å; F347-F426 HydrophobicContact CD1-CE1 4.46Å; F347-F426 AromaticContact CD2-CD1 3.86Å; F347-F426 HydrophobicContact CD2-CD1 3.86Å; F347-F426 HydrophobicContact CE1-CD1 4.29Å; F347-F426 HydrophobicContact CE2-CB 4.33Å; F347-F426 HydrophobicContact CE2-CD1 4.37Å; F347-F426 AromaticContact CG-CD1 3.53Å; F347-F426 HydrophobicContact CG-CD1 3.53Å; F347-F426 HydrophobicContact CG-CE1 4.05Å; F347-F426 HydrophobicContact CZ-CB 4.29Å; F347-F426 WeakPolarHBondContact CZ-O 3.44Å; F347-F428 HydrophobicContact CE1-CD1 4.17Å; F347-F428 HydrophobicContact CZ-CD1 4.1Å; F347-F428 HydrophobicContact CZ-CE1 4.37Å
348L92.5Very high89.3Confident1 Ų145.6 Ų45.61%0.00524%0.236CC..Hα-helixtrans-58.8-45.4177.3-68.8172000110.8A344 L345 T350 L352 F355 L365 L369 F402 L404 I519A344-L348 WeakPolarHBondContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CG 3.32Å; A344-L348 PolarHBondContact O-N 3.19Å; L345-L348 PolarHBondContact O-N 3.06Å; L348-T350 VanDerWaalsContact C-N 3.35Å; L348-T350 PolarHBondContact O-N 3.45Å; L348-L352 HydrophobicContact CD2-CD1 3.35Å; L348-L352 HydrophobicContact CG-CD1 4.46Å; L348-L352 PolarHBondContact O-N 3.27Å; L348-F355 HydrophobicContact CB-CB 4.2Å; L348-F355 HydrophobicContact CB-CG 4.41Å; L348-F355 HydrophobicContact CD2-CD2 4.2Å; L348-F355 HydrophobicContact CD2-CE2 4.3Å; L348-F355 WeakPolarHBondContact O-CB 3.43Å; L348-L365 HydrophobicContact CB-CD2 4.14Å; L348-L365 HydrophobicContact CD1-CD1 4.21Å; L348-L369 HydrophobicContact CD1-CD1 4.06Å; L348-L369 HydrophobicContact CD1-CD2 3.8Å; L348-L369 HydrophobicContact CD1-CG 4.39Å; L348-F402 HydrophobicContact CD2-CE1 4.12Å; L348-F402 HydrophobicContact CD2-CZ 4.25Å; L348-L404 HydrophobicContact CD1-CD2 4.49Å; L348-L404 HydrophobicContact CD2-CD2 3.59Å; L348-L404 HydrophobicContact CG-CD2 3.97Å; L348-I519 HydrophobicContact CD1-CD1 4.4Å
349A90.8Very high89.4Confident5 Ų547.9 Ų47.94%0.04125%0.245CC..Hα-helixtrans-70.5-24.6-176.900000114.3L345 R346 F347 F356 P357 L365L345-A349 WeakPolarHBondContact O-CB 3.5Å; L345-A349 PolarHBondContact O-N 3.3Å; R346-A349 PolarHBondContact O-N 3.19Å; F347-A349 VanDerWaalsContact C-N 3.32Å; F347-A349 PolarHBondContact O-N 3.35Å; A349-F356 VanDerWaalsContact O-CD1 3.26Å; A349-F356 WeakPolarHBondContact O-CD1 3.39Å; A349-P357 WeakPolarHBondContact O-CD 3.46Å; A349-L365 HydrophobicContact CB-CD2 4.12Å
350T90.1Very high89.6Confident63 Ų6344.8 Ų44.839%0.38723%0.231SC..Hα-helixtrans-104.3-36.1-17659.30000114.4R346 F347 L348 F356R346-T350 HydrophobicContact CG-CG2 4.45Å; R346-T350 WeakPolarHBondContact O-CG2 3.46Å; R346-T350 PolarHBondContact O-N 3.34Å; R346-T350 PolarHBondContact O-OG1 2.87Å; F347-T350 PolarHBondContact O-N 3.33Å; L348-T350 VanDerWaalsContact C-N 3.35Å; L348-T350 PolarHBondContact O-N 3.45Å; T350-F356 VanDerWaalsContact O-CE1 3.24Å; T350-F356 WeakPolarHBondContact O-CE1 3.39Å
351E91.1Very high89.5Confident127 Ų12745 Ų4559%0.59323%0.234SC*.Hα-helixtrans-98-23.7-172.9-66.2-63.9141.600113.2F347F347-E351 HydrophobicContact CD2-CB 4.19Å; F347-E351 HydrophobicContact CD2-CG 3.73Å; F347-E351 HydrophobicContact CE2-CB 3.98Å; F347-E351 HydrophobicContact CE2-CG 3.68Å; F347-E351 HydrophobicContact CG-CG 4.49Å; F347-E351 HydrophobicContact CZ-CB 4.21Å; F347-E351 HydrophobicContact CZ-CG 4.41Å; F347-E351 WeakPolarHBondContact O-CB 3.38Å; F347-E351 PolarHBondContact O-N 3.21Å
352L90.4Very high89.3Confident3 Ų347.6 Ų47.62%0.01625%0.246CC..  trans-114.6109-171.1-50.2177.6000111.8F347 L348 P354 F355 F356 F402 F428 M431F347-L352 HydrophobicContact CE1-CD1 4.21Å; F347-L352 HydrophobicContact CE1-CD2 4.45Å; F347-L352 HydrophobicContact CE1-CG 4.4Å; L348-L352 HydrophobicContact CD2-CD1 3.35Å; L348-L352 HydrophobicContact CG-CD1 4.46Å; L348-L352 PolarHBondContact O-N 3.27Å; L352-P354 VanDerWaalsContact C-N 3.33Å; L352-P354 VanDerWaalsContact O-N 3.12Å; L352-F355 HydrophobicContact CB-CD2 3.92Å; L352-F355 HydrophobicContact CD1-CD2 4.2Å; L352-F355 HydrophobicContact CD1-CE2 4.48Å; L352-F355 PolarHBondContact O-N 3.14Å; L352-F356 WeakPolarHBondContact O-CD1 3.38Å; L352-F356 WeakPolarHBondContact O-CE1 3.41Å; L352-F356 PolarHBondContact O-N 3.1Å; L352-F402 HydrophobicContact CD1-CE2 4.35Å; L352-F402 HydrophobicContact CD1-CZ 3.76Å; L352-F428 HydrophobicContact CD2-CD1 3.6Å; L352-F428 HydrophobicContact CD2-CD2 4.01Å; L352-F428 HydrophobicContact CD2-CE1 3.41Å; L352-F428 VanDerWaalsContact CD2-CE1 3.41Å; L352-F428 HydrophobicContact CD2-CE2 3.83Å; L352-F428 HydrophobicContact CD2-CG 3.9Å; L352-F428 HydrophobicContact CD2-CZ 3.53Å; L352-M431 HydrophobicContact CB-CE 3.86Å; L352-M431 HydrophobicContact CD1-CE 3.92Å; L352-M431 HydrophobicContact CD2-CE 3.53Å; L352-M431 HydrophobicContact CG-CE 3.94Å
353E89.7Confident89.2Confident131 Ų13153.3 Ų53.361%0.61227%0.269SS*.G310 helixtrans-47.5-42.4-176.1-171.5-173.6176.600115.2F355 F356E353-F355 PolarHBondContact O-N 3.21Å; E353-F356 HydrophobicContact CB-CD2 4.33Å; E353-F356 HydrophobicContact CB-CE2 4.02Å; E353-F356 HydrophobicContact CB-CZ 4.22Å; E353-F356 HydrophobicContact CG-CD2 4.14Å; E353-F356 HydrophobicContact CG-CE2 4.07Å; E353-F356 WeakPolarHBondContact O-CB 3.43Å; E353-F356 WeakPolarHBondContact O-CG 3.44Å; E353-F356 PolarHBondContact O-N 3.22Å
354P87.7Confident89.1Confident6 Ų652.4 Ų52.44%0.03926%0.258CS..G310 helixtrans-64.8-22.4180-26.340.9000113.9L352 M431 T435 Y526L352-P354 VanDerWaalsContact C-N 3.33Å; L352-P354 VanDerWaalsContact O-N 3.12Å; P354-M431 HydrophobicContact CB-SD 4.41Å; P354-M431 HydrophobicContact CG-CG 4.09Å; P354-M431 HydrophobicContact CG-SD 3.52Å; P354-M431 VanDerWaalsContact CG-SD 3.52Å; P354-T435 HydrophobicContact CB-CG2 3.98Å; P354-T435 HydrophobicContact CG-CG2 3.53Å; P354-Y526 WeakPolarHBondContact CA-OH 3.46Å; P354-Y526 HydrophobicContact CB-CE2 3.85Å; P354-Y526 WeakPolarHBondContact CB-OH 3.3Å; P354-Y526 WeakPolarHBondContact O-CE2 3.37Å; P354-Y526 PolarHBondContact O-OH 3.46Å
355F90.7Very high89Confident2 Ų252.4 Ų52.41%0.00926%0.258CS..G310 helixtrans-104.46.8-177.8-59.9-75.9000112.9L348 L352 E353 M360 L365 L368 F402 L434 Y526L348-F355 HydrophobicContact CB-CB 4.2Å; L348-F355 HydrophobicContact CB-CG 4.41Å; L348-F355 HydrophobicContact CD2-CD2 4.2Å; L348-F355 HydrophobicContact CD2-CE2 4.3Å; L348-F355 WeakPolarHBondContact O-CB 3.43Å; L352-F355 HydrophobicContact CB-CD2 3.92Å; L352-F355 HydrophobicContact CD1-CD2 4.2Å; L352-F355 HydrophobicContact CD1-CE2 4.48Å; L352-F355 PolarHBondContact O-N 3.14Å; E353-F355 PolarHBondContact O-N 3.21Å; F355-M360 HydrophobicContact CD1-CE 4.18Å; F355-M360 HydrophobicContact CD1-SD 4.32Å; F355-M360 HydrophobicContact CE1-CE 4.45Å; F355-L365 HydrophobicContact CB-CD1 4.49Å; F355-L365 HydrophobicContact CB-CD2 4.41Å; F355-L365 HydrophobicContact CD1-CD1 3.67Å; F355-L365 HydrophobicContact CE1-CD1 4.28Å; F355-L365 HydrophobicContact CG-CD1 4.38Å; F355-L368 HydrophobicContact CE1-CD2 4.21Å; F355-F402 HydrophobicContact CE2-CD1 4.27Å; F355-F402 HydrophobicContact CE2-CE1 4.04Å; F355-F402 HydrophobicContact CE2-CZ 4.26Å; F355-F402 HydrophobicContact CZ-CD1 4.21Å; F355-F402 HydrophobicContact CZ-CE1 4.31Å; F355-L434 HydrophobicContact CE2-CD1 3.86Å; F355-L434 HydrophobicContact CZ-CD1 3.54Å; F355-Y526 HydrophobicContact CD1-CD2 4.45Å; F355-Y526 HydrophobicContact CD1-CE2 4.34Å; F355-Y526 AromaticContact CE1-CD2 3.88Å; F355-Y526 HydrophobicContact CE1-CD2 3.88Å; F355-Y526 HydrophobicContact CE1-CE2 4.18Å; F355-Y526 HydrophobicContact CZ-CD2 4.3Å
356F90.3Very high88.9Confident64 Ų6452.6 Ų52.628%0.28126%0.259SS..SBendtrans-59.9149.8177.1-73.1-4000112.2A349 T350 L352 E353 T358 Q359 M360A349-F356 VanDerWaalsContact O-CD1 3.26Å; A349-F356 WeakPolarHBondContact O-CD1 3.39Å; T350-F356 VanDerWaalsContact O-CE1 3.24Å; T350-F356 WeakPolarHBondContact O-CE1 3.39Å; L352-F356 WeakPolarHBondContact O-CD1 3.38Å; L352-F356 WeakPolarHBondContact O-CE1 3.41Å; L352-F356 PolarHBondContact O-N 3.1Å; E353-F356 HydrophobicContact CB-CD2 4.33Å; E353-F356 HydrophobicContact CB-CE2 4.02Å; E353-F356 HydrophobicContact CB-CZ 4.22Å; E353-F356 HydrophobicContact CG-CD2 4.14Å; E353-F356 HydrophobicContact CG-CE2 4.07Å; E353-F356 WeakPolarHBondContact O-CB 3.43Å; E353-F356 WeakPolarHBondContact O-CG 3.44Å; E353-F356 PolarHBondContact O-N 3.22Å; F356-T358 PolarHBondContact O-N 3.4Å; F356-Q359 PolarHBondContact O-N 2.86Å; F356-M360 PolarHBondContact O-N 3.2Å
357P86.4Confident88.7Confident67 Ų6755.8 Ų55.844%0.43527%0.271SS..THydrogen-bonded Turntrans-53.9-24.2177.3-2835.1000114.8A349 M360 K537A349-P357 WeakPolarHBondContact O-CD 3.46Å; P357-M360 VanDerWaalsContact CA-O 3.31Å; P357-M360 WeakPolarHBondContact CA-O 3.36Å; P357-K537 PolarHBondContact O-NZ 3.15Å; P357-K537 VanDerWaalsContact O-NZ 3.1Å
358T85.9Confident88.5Confident109 Ų10953.9 Ų53.967%0.66926%0.263SS*.THydrogen-bonded Turntrans-65.2-40.5174.653.70000111.9F356 K537F356-T358 PolarHBondContact O-N 3.4Å; T358-K537 PolarHBondContact O-NZ 3.1Å
359Q85.1Confident88.3Confident70 Ų7053.9 Ų53.933%0.32726%0.263SS..THydrogen-bonded Turntrans-93-38.9-178.5-56.7-162.222.200112.8F356 Y526F356-Q359 PolarHBondContact O-N 2.86Å; Q359-Y526 PolarHBondContact OE1-OH 3.48Å; Q359-Y526 VanDerWaalsContact OE1-OH 3.11Å
360M87.5Confident88Confident1 Ų156.5 Ų56.51%0.00527%0.273CS..SBendtrans-138.7125.3-176.9-171.8-179.8-58.600111.2F355 F356 P357 I364 L365 L368 Y526 A529 V530F355-M360 HydrophobicContact CD1-CE 4.18Å; F355-M360 HydrophobicContact CD1-SD 4.32Å; F355-M360 HydrophobicContact CE1-CE 4.45Å; F356-M360 PolarHBondContact O-N 3.2Å; P357-M360 VanDerWaalsContact CA-O 3.31Å; P357-M360 WeakPolarHBondContact CA-O 3.36Å; M360-I364 HydrophobicContact CG-CB 4.36Å; M360-I364 HydrophobicContact CG-CG2 4.18Å; M360-I364 HydrophobicContact SD-CG2 4.49Å; M360-L365 HydrophobicContact CG-CB 4.33Å; M360-L365 HydrophobicContact SD-CB 3.88Å; M360-L365 HydrophobicContact SD-CD1 3.93Å; M360-L368 HydrophobicContact CE-CD2 4.2Å; M360-L368 HydrophobicContact SD-CD2 4.16Å; M360-Y526 HydrophobicContact CE-CD2 3.77Å; M360-Y526 HydrophobicContact CE-CE2 3.78Å; M360-A529 HydrophobicContact CE-CB 3.5Å; M360-A529 HydrophobicContact SD-CB 3.95Å; M360-V530 HydrophobicContact CE-CG2 4.03Å
361S87.8Confident87.7Confident25 Ų2556.8 Ų56.818%0.17527%0.272CS..  trans-59.4140.6172.9165.10000111.7K363 I364 L365 S533S361-K363 PolarHBondContact O-N 3.25Å; S361-K363 PolarHBondContact OG-N 2.92Å; S361-I364 PolarHBondContact O-N 3.48Å; S361-L365 PolarHBondContact O-N 3.49Å; S361-S533 PolarHBondContact N-OG 2.67Å
362E84.8Confident87.1Confident67 Ų6755.1 Ų55.131%0.31327%0.272SS..Hα-helixtrans-56.5-35.6177.9-69-172.8169.500112.3R346 I364 L365 L366R346-E362 IonicContact NH1-OE1 2.85Å; E362-I364 VanDerWaalsContact C-N 3.28Å; E362-I364 PolarHBondContact O-N 2.9Å; E362-L365 PolarHBondContact O-N 3.31Å; E362-L366 WeakPolarHBondContact O-CB 3.26Å; E362-L366 PolarHBondContact O-N 2.87Å
363K85.2Confident86.6Confident159 Ų15959.7 Ų59.769%0.69130%0.297SS*.Hα-helixtrans-61.5-38.4176.2-66.3-179.4-178.3173.10112S361 R367S361-K363 PolarHBondContact O-N 3.25Å; S361-K363 PolarHBondContact OG-N 2.92Å; K363-R367 PolarHBondContact O-N 3.44Å; K363-R367 VanDerWaalsContact O-N 3.1Å
364I88Confident86.6Confident21 Ų2153.5 Ų53.511%0.10827%0.268CS..Hα-helixtrans-81.5-37.1-176.9-66.3172.3000110.6M360 S361 E362 L366 R367 L368 A529 A532 S533 D536M360-I364 HydrophobicContact CG-CB 4.36Å; M360-I364 HydrophobicContact CG-CG2 4.18Å; M360-I364 HydrophobicContact SD-CG2 4.49Å; S361-I364 PolarHBondContact O-N 3.48Å; E362-I364 VanDerWaalsContact C-N 3.28Å; E362-I364 PolarHBondContact O-N 2.9Å; I364-L366 VanDerWaalsContact C-N 3.28Å; I364-L366 PolarHBondContact O-N 2.92Å; I364-R367 PolarHBondContact O-N 3.47Å; I364-L368 WeakPolarHBondContact O-CB 3.42Å; I364-L368 PolarHBondContact O-N 3.38Å; I364-A529 HydrophobicContact CG2-CB 3.93Å; I364-A529 WeakPolarHBondContact CG2-O 3.35Å; I364-A532 HydrophobicContact CD1-CB 4.18Å; I364-A532 HydrophobicContact CG2-CB 4.36Å; I364-S533 VanDerWaalsContact CD1-N 3.32Å; I364-D536 HydrophobicContact CD1-CB 4.1Å
365L89.8Confident86.8Confident1 Ų153.6 Ų53.61%0.00527%0.268CS..Hα-helixtrans-57.3-45.2169.9179.756.6000110.7L345 L348 A349 F355 M360 S361 E362 R367 L368 L369L345-L365 HydrophobicContact CD1-CB 4.36Å; L345-L365 HydrophobicContact CD1-CD2 4.34Å; L345-L365 HydrophobicContact CD1-CG 4.09Å; L345-L365 HydrophobicContact CG-CD2 4.14Å; L345-L365 HydrophobicContact CG-CG 4.38Å; L348-L365 HydrophobicContact CB-CD2 4.14Å; L348-L365 HydrophobicContact CD1-CD1 4.21Å; A349-L365 HydrophobicContact CB-CD2 4.12Å; F355-L365 HydrophobicContact CB-CD1 4.49Å; F355-L365 HydrophobicContact CB-CD2 4.41Å; F355-L365 HydrophobicContact CD1-CD1 3.67Å; F355-L365 HydrophobicContact CE1-CD1 4.28Å; F355-L365 HydrophobicContact CG-CD1 4.38Å; M360-L365 HydrophobicContact CG-CB 4.33Å; M360-L365 HydrophobicContact SD-CB 3.88Å; M360-L365 HydrophobicContact SD-CD1 3.93Å; S361-L365 PolarHBondContact O-N 3.49Å; E362-L365 PolarHBondContact O-N 3.31Å; L365-R367 PolarHBondContact O-N 2.89Å; L365-L368 HydrophobicContact CD1-CD2 4.46Å; L365-L368 WeakPolarHBondContact O-CB 3.5Å; L365-L368 PolarHBondContact O-N 3.44Å; L365-L369 WeakPolarHBondContact O-CG 3.41Å; L365-L369 PolarHBondContact O-N 3.38Å
366L87.8Confident86.7Confident11 Ų1155.9 Ų55.96%0.05828%0.279CS..Hα-helixtrans-62.7-42.2175.9-172.346.3000112.4A324 F325 L341 L345 E362 I364 L368 L369 K370A324-L366 HydrophobicContact CB-CD2 3.17Å; A324-L366 HydrophobicContact CB-CG 4.18Å; F325-L366 HydrophobicContact CD1-CD1 3.87Å; F325-L366 HydrophobicContact CD1-CD2 4.47Å; F325-L366 HydrophobicContact CD2-CD2 4.06Å; F325-L366 HydrophobicContact CE1-CD1 3.43Å; F325-L366 VanDerWaalsContact CE1-CD1 3.43Å; F325-L366 HydrophobicContact CE1-CD2 4.08Å; F325-L366 HydrophobicContact CE1-CG 4.42Å; F325-L366 HydrophobicContact CE2-CD2 3.64Å; F325-L366 HydrophobicContact CG-CD2 4.45Å; F325-L366 HydrophobicContact CZ-CD1 3.8Å; F325-L366 HydrophobicContact CZ-CD2 3.65Å; F325-L366 HydrophobicContact CZ-CG 4.34Å; L341-L366 HydrophobicContact CD2-CD1 4.17Å; L341-L366 HydrophobicContact CG-CD1 4.39Å; L345-L366 HydrophobicContact CD1-CB 3.53Å; L345-L366 HydrophobicContact CD1-CD1 3.99Å; L345-L366 HydrophobicContact CD1-CD2 4.48Å; L345-L366 HydrophobicContact CD1-CG 4.2Å; E362-L366 WeakPolarHBondContact O-CB 3.26Å; E362-L366 PolarHBondContact O-N 2.87Å; I364-L366 VanDerWaalsContact C-N 3.28Å; I364-L366 PolarHBondContact O-N 2.92Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.91Å; L366-L369 PolarHBondContact O-N 3.3Å; L366-K370 WeakPolarHBondContact O-CG 3.44Å; L366-K370 PolarHBondContact O-N 3.23Å
367R86.5Confident86.7Confident194 Ų19456.8 Ų56.873%0.73228%0.284SS*.Hα-helixtrans-62.2-39.4174.9-168.7175.3-175170.62.1111.9K363 I364 L365 K370 L371K363-R367 PolarHBondContact O-N 3.44Å; K363-R367 VanDerWaalsContact O-N 3.1Å; I364-R367 PolarHBondContact O-N 3.47Å; L365-R367 PolarHBondContact O-N 2.89Å; R367-K370 PolarHBondContact O-N 3.42Å; R367-L371 PolarHBondContact O-N 3.21Å
368L89.8Confident86.8Confident5 Ų554.6 Ų54.63%0.02627%0.268CS..Hα-helixtrans-61.6-46.4175.3172.563.4000111F355 M360 I364 L365 L366 K370 L371 V374 V521 Q525 A529F355-L368 HydrophobicContact CE1-CD2 4.21Å; M360-L368 HydrophobicContact CE-CD2 4.2Å; M360-L368 HydrophobicContact SD-CD2 4.16Å; I364-L368 WeakPolarHBondContact O-CB 3.42Å; I364-L368 PolarHBondContact O-N 3.38Å; L365-L368 HydrophobicContact CD1-CD2 4.46Å; L365-L368 WeakPolarHBondContact O-CB 3.5Å; L365-L368 PolarHBondContact O-N 3.44Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.91Å; L368-K370 VanDerWaalsContact C-N 3.25Å; L368-K370 PolarHBondContact O-N 2.79Å; L368-L371 HydrophobicContact CD1-CD1 3.96Å; L368-L371 WeakPolarHBondContact O-CB 3.41Å; L368-L371 PolarHBondContact O-N 2.82Å; L368-L371 VanDerWaalsContact O-N 3.14Å; L368-V374 WeakPolarHBondContact O-CG2 3.21Å; L368-V521 HydrophobicContact CD1-CG1 4.44Å; L368-V521 HydrophobicContact CD2-CG1 4.2Å; L368-V521 HydrophobicContact CD2-CG2 4.48Å; L368-Q525 HydrophobicContact CD1-CB 3.92Å; L368-A529 HydrophobicContact CB-CB 4.48Å; L368-A529 HydrophobicContact CD2-CB 4.12Å
369L88.5Confident86.8Confident1 Ų156.6 Ų56.61%0.00527%0.268CS..Hα-helixtrans-64.6-30.1178-66.2178.9000113.1L341 L345 L348 L365 L366 L371 V374 I519L341-L369 HydrophobicContact CD1-CB 3.98Å; L341-L369 HydrophobicContact CD1-CD1 4.01Å; L345-L369 HydrophobicContact CB-CD1 4.1Å; L345-L369 HydrophobicContact CD1-CD1 4.32Å; L348-L369 HydrophobicContact CD1-CD1 4.06Å; L348-L369 HydrophobicContact CD1-CD2 3.8Å; L348-L369 HydrophobicContact CD1-CG 4.39Å; L365-L369 WeakPolarHBondContact O-CG 3.41Å; L365-L369 PolarHBondContact O-N 3.38Å; L366-L369 PolarHBondContact O-N 3.3Å; L369-L371 VanDerWaalsContact C-N 3.33Å; L369-V374 HydrophobicContact CD2-CG1 4.47Å; L369-I519 HydrophobicContact CD2-CD1 3.72Å; L369-I519 HydrophobicContact CD2-CG1 4.14Å; L369-I519 HydrophobicContact CD2-CG2 3.97Å
370K84.8Confident86.9Confident59 Ų5954.8 Ų54.826%0.25726%0.258SS..THydrogen-bonded Turntrans-80.3-7.1175.8-73.2-169.7169.3-1610114.6A324 L366 R367 L368A324-K370 WeakPolarHBondContact O-CE 3.43Å; A324-K370 PolarHBondContact O-NZ 2.97Å; L366-K370 WeakPolarHBondContact O-CG 3.44Å; L366-K370 PolarHBondContact O-N 3.23Å; R367-K370 PolarHBondContact O-N 3.42Å; L368-K370 VanDerWaalsContact C-N 3.25Å; L368-K370 PolarHBondContact O-N 2.79Å
371L84.9Confident86.8Confident70 Ų7059.4 Ų59.437%0.36628%0.283SS..SBendtrans-63.5143.3178.8-71.1179.7000111.2R367 L368 L369 N373 V374R367-L371 PolarHBondContact O-N 3.21Å; L368-L371 HydrophobicContact CD1-CD1 3.96Å; L368-L371 WeakPolarHBondContact O-CB 3.41Å; L368-L371 PolarHBondContact O-N 2.82Å; L368-L371 VanDerWaalsContact O-N 3.14Å; L369-L371 VanDerWaalsContact C-N 3.33Å; L371-N373 PolarHBondContact O-N 3.45Å; L371-V374 HydrophobicContact CB-CG2 3.78Å; L371-V374 PolarHBondContact O-N 3.44Å
372P76.7Confident86.4Confident91 Ų9162.7 Ų62.759%0.59130%0.302SS*.THydrogen-bonded Turntrans-60136.2175.426.1-33.7000109.7V374P372-V374 VanDerWaalsContact C-N 3.32Å; P372-V374 PolarHBondContact O-N 2.93Å
373N81.8Confident86.1Confident100 Ų10067.5 Ų67.554%0.53533%0.33SS..THydrogen-bonded Turntrans71.57-178.6-46.9-49.1000116.8L371 Q376L371-N373 PolarHBondContact O-N 3.45Å; N373-Q376 PolarHBondContact O-NE2 2.94Å
374V89.7Confident85.8Confident0 Ų064.3 Ų64.30%032%0.32CS..THydrogen-bonded Turntrans-77.6-51.1168.5170.10000110.1L368 L369 L371 P372 I519 K520 V521L368-V374 WeakPolarHBondContact O-CG2 3.21Å; L369-V374 HydrophobicContact CD2-CG1 4.47Å; L371-V374 HydrophobicContact CB-CG2 3.78Å; L371-V374 PolarHBondContact O-N 3.44Å; P372-V374 VanDerWaalsContact C-N 3.32Å; P372-V374 PolarHBondContact O-N 2.93Å; V374-I519 HydrophobicContact CG1-CG2 3.89Å; V374-I519 CarbonylContact O-C 3.59Å; V374-K520 WeakPolarHBondContact CA-O 3.44Å; V374-K520 PolarHBondContact O-N 2.94Å; V374-V521 HydrophobicContact CG1-CG2 4.08Å
375I90.3Very high85.2Confident9 Ų968.9 Ų68.95%0.04634%0.339CS..EExtended strand (participates in β ladder)trans-83124.2170.8-65.3179.8000108.8M332 V334 I336 L341 I519M332-I375 HydrophobicContact CE-CB 4.27Å; M332-I375 HydrophobicContact CE-CD1 3.57Å; M332-I375 HydrophobicContact CE-CG1 4.26Å; V334-I375 HydrophobicContact CB-CG2 4.18Å; V334-I375 HydrophobicContact CG1-CG2 4.1Å; I336-I375 HydrophobicContact CD1-CB 4.39Å; I336-I375 HydrophobicContact CD1-CD1 3.94Å; I336-I375 HydrophobicContact CD1-CG1 4.42Å; I336-I375 HydrophobicContact CD1-CG2 3.19Å; I336-I375 HydrophobicContact CG1-CG2 3.84Å; L341-I375 HydrophobicContact CD1-CD1 4.1Å; I375-I519 HydrophobicContact CG1-CG1 4.07Å
376Q89.4Confident84.5Confident49 Ų4978.1 Ų78.123%0.22937%0.374CS..EExtended strand (participates in β ladder)trans-128.9153.6-176.8-60.1-175.76.700111.2N373 R517 Y518N373-Q376 PolarHBondContact O-NE2 2.94Å; Q376-R517 WeakPolarHBondContact O-CA 3.38Å; Q376-Y518 HydrophobicContact CB-CD2 4.49Å; Q376-Y518 HydrophobicContact CB-CE1 4.26Å; Q376-Y518 HydrophobicContact CB-CE2 3.89Å; Q376-Y518 HydrophobicContact CG-CE2 4.46Å; Q376-Y518 PolarHBondContact N-O 3.37Å; Q376-Y518 PolarHBondContact O-N 3.08Å; Q376-Y518 PolarHBondContact OE1-OH 2.99Å
377E90Very high84.2Confident84 Ų8478.2 Ų78.239%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-119.9137.2172.6-174.8171.5-124.700108.9V334 L516 R517V334-E377 HydrophobicContact CG1-CB 4.17Å; V334-E377 HydrophobicContact CG2-CB 4.19Å; E377-L516 CarbonylContact C-O 3.59Å; E377-L516 VanDerWaalsContact CA-O 3.3Å; E377-L516 WeakPolarHBondContact CA-O 3.27Å; E377-R517 HydrophobicContact CB-CG 4.31Å; E377-R517 HydrophobicContact CG-CG 4.08Å; E377-R517 IonicContact OE1-CZ 3.48Å; E377-R517 IonicContact OE1-NE 2.66Å; E377-R517 PolarHBondContact OE1-NE 2.98Å; E377-R517 IonicContact OE1-NH2 3.44Å; E377-R517 PolarHBondContact OE1-NH2 3.2Å
378L87.9Confident83.9Confident20 Ų2072.3 Ų72.311%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-124.6118.4175.5178.7162.2000107.6E389 L392 A512 D515 L516 Y518L378-E389 WeakPolarHBondContact CD1-O 3.41Å; L378-L392 HydrophobicContact CD1-CD2 3.97Å; L378-A512 HydrophobicContact CD2-CB 3.64Å; L378-D515 WeakPolarHBondContact O-CA 3.38Å; L378-L516 HydrophobicContact CB-CB 4.33Å; L378-L516 PolarHBondContact N-O 2.9Å; L378-L516 PolarHBondContact O-N 3.37Å; L378-Y518 HydrophobicContact CB-CE1 3.93Å
379K86.9Confident83.5Confident152 Ų15279.9 Ų79.966%0.66141%0.405SS*.  trans-84135175.8-65.9-172.3177.7-175.20109.8D515K379-D515 WeakPolarHBondContact CA-OD1 3.23Å
380Y86.9Confident83.5Confident31 Ų3180 Ų8012%0.12241%0.405CS..  trans-93.8112.1-176.6-178.4-104.5000111.6V382 H390 A512 D515Y380-V382 HydrophobicContact CD1-CG2 4.21Å; Y380-V382 HydrophobicContact CE1-CG2 4.35Å; Y380-V382 PolarHBondContact O-N 2.91Å; Y380-H390 AromaticContact CD2-ND1 3.99Å; Y380-H390 AromaticContact CE2-ND1 3.86Å; Y380-A512 HydrophobicContact CD2-CB 4.17Å; Y380-A512 WeakPolarHBondContact CE2-O 3.21Å; Y380-D515 PolarHBondContact N-OD1 3.5Å
381D85.2Confident83.8Confident98 Ų9879.9 Ų79.952%0.52440%0.404SS..  trans-80.8107.5174.8-72.8-34000111.4N383 N384 H390D381-N383 PolarHBondContact O-N 3.35Å; D381-N384 CarbonylContact O-C 3.59Å; D381-N384 PolarHBondContact O-N 2.9Å; D381-N384 VanDerWaalsContact O-N 3.13Å; D381-H390 PolarHBondContact N-CE1 3.43Å; D381-H390 PolarHBondContact N-NE2 3.47Å
382V79.6Confident84.1Confident95 Ų9577 Ų7758%0.57639%0.388SS*.THydrogen-bonded Turntrans-60.1-29.5179.7-175.90000112.3Y380 K385Y380-V382 HydrophobicContact CD1-CG2 4.21Å; Y380-V382 HydrophobicContact CE1-CG2 4.35Å; Y380-V382 PolarHBondContact O-N 2.91Å; V382-K385 VanDerWaalsContact O-CE 3.25Å; V382-K385 WeakPolarHBondContact O-CE 3.32Å; V382-K385 VanDerWaalsContact O-CG 3.23Å; V382-K385 WeakPolarHBondContact O-CG 3.45Å
383N78.2Confident84.9Confident168 Ų16872.7 Ų72.790%0.89836%0.36SS*.THydrogen-bonded Turntrans-76.6-29.4-179.7-65.4-23.5000112.7D381D381-N383 PolarHBondContact O-N 3.35Å
384N79.9Confident85.4Confident92 Ų9270.3 Ų70.349%0.49235%0.346SS..  trans-120.963.6-178.3-1640.6000111.5D381 R386 A387 H390D381-N384 CarbonylContact O-C 3.59Å; D381-N384 PolarHBondContact O-N 2.9Å; D381-N384 VanDerWaalsContact O-N 3.13Å; N384-R386 PolarHBondContact O-N 3.34Å; N384-A387 HydrophobicContact CB-CB 4.36Å; N384-A387 PolarHBondContact O-N 3.44Å; N384-A387 VanDerWaalsContact O-N 3.1Å; N384-A387 PolarHBondContact OD1-N 2.94Å; N384-H390 PolarHBondContact O-CE1 3.06Å; N384-H390 PolarHBondContact O-ND1 3.36Å; N384-H390 VanDerWaalsContact O-ND1 3.11Å
385K75.2Confident85.4Confident116 Ų11673.5 Ų73.550%0.50436%0.358SS..THydrogen-bonded Turntrans-56.1-24.3-172.3-58.3-175-179.3176.50114.3V382 R511V382-K385 VanDerWaalsContact O-CE 3.25Å; V382-K385 WeakPolarHBondContact O-CE 3.32Å; V382-K385 VanDerWaalsContact O-CG 3.23Å; V382-K385 WeakPolarHBondContact O-CG 3.45Å; K385-R511 PolarHBondContact O-NH1 3.5Å
386R73.7Confident85.2Confident195 Ų19578.2 Ų78.274%0.73638%0.383SS*.THydrogen-bonded Turntrans-116.523.2-177.2-66.3-173.2177.2171.3-0.4113.5N384 A388N384-R386 PolarHBondContact O-N 3.34Å; R386-A388 PolarHBondContact O-N 3.13Å
387A83.1Confident85.3Confident13 Ų1381.1 Ų81.111%0.10740%0.395CS..  trans-53.1140.4170.300000110.7N384 E389 H390 Y391N384-A387 HydrophobicContact CB-CB 4.36Å; N384-A387 PolarHBondContact O-N 3.44Å; N384-A387 VanDerWaalsContact O-N 3.1Å; N384-A387 PolarHBondContact OD1-N 2.94Å; A387-E389 PolarHBondContact O-N 3.23Å; A387-E389 VanDerWaalsContact O-N 3.15Å; A387-H390 PolarHBondContact O-N 3Å; A387-Y391 WeakPolarHBondContact O-CD2 3.33Å
388A79Confident85.2Confident71 Ų7180.2 Ų80.259%0.58740%0.397SS*.G310 helixtrans-59.1-26175.600000112.1R386 H390 Y391R386-A388 PolarHBondContact O-N 3.13Å; A388-H390 VanDerWaalsContact C-N 3.29Å; A388-H390 PolarHBondContact O-N 3.25Å; A388-Y391 PolarHBondContact O-N 3.46Å
389E81.9Confident85.3Confident164 Ų16479.7 Ų79.777%0.76639%0.394SS*.G310 helixtrans-70.2-22.5178.4-59.8-177.6179.800113.1L378 A387 Y391L378-E389 WeakPolarHBondContact CD1-O 3.41Å; A387-E389 PolarHBondContact O-N 3.23Å; A387-E389 VanDerWaalsContact O-N 3.15Å; E389-Y391 VanDerWaalsContact C-N 3.29Å; E389-Y391 PolarHBondContact O-N 3.15Å
390H88.1Confident85.5Confident4 Ų476.2 Ų76.22%0.01938%0.383CS..G310 helixtrans-81.8-7.1176.7-63.5165.6000113.3Y380 D381 N384 A387 A388 R511 A512Y380-H390 AromaticContact CD2-ND1 3.99Å; Y380-H390 AromaticContact CE2-ND1 3.86Å; D381-H390 PolarHBondContact N-CE1 3.43Å; D381-H390 PolarHBondContact N-NE2 3.47Å; N384-H390 PolarHBondContact O-CE1 3.06Å; N384-H390 PolarHBondContact O-ND1 3.36Å; N384-H390 VanDerWaalsContact O-ND1 3.11Å; A387-H390 PolarHBondContact O-N 3Å; A388-H390 VanDerWaalsContact C-N 3.29Å; A388-H390 PolarHBondContact O-N 3.25Å; H390-R511 HydrophobicContact CB-CG 4.32Å; H390-R511 CarbonylContact O-C 3.59Å; H390-R511 WeakPolarHBondContact O-CA 3.46Å; H390-A512 HydrophobicContact CB-CB 4.37Å; H390-A512 PolarHBondContact O-N 2.83Å
391Y90.9Very high85.8Confident56 Ų5676.6 Ų76.622%0.2238%0.384CS..EExtended strand (participates in β ladder)trans-92.3114.1178.5-77.6-95.3000110.5A387 A388 E389 H394 V510 R511A387-Y391 WeakPolarHBondContact O-CD2 3.33Å; A388-Y391 PolarHBondContact O-N 3.46Å; E389-Y391 VanDerWaalsContact C-N 3.29Å; E389-Y391 PolarHBondContact O-N 3.15Å; Y391-H394 WeakPolarHBondContact CB-CE1 3.37Å; Y391-H394 AromaticContact CG-NE2 3.83Å; Y391-V510 CarbonylContact C-O 3.55Å; Y391-V510 WeakPolarHBondContact CA-O 3.46Å; Y391-R511 HydrophobicContact CD1-CB 4.05Å; Y391-R511 HydrophobicContact CD1-CG 4.44Å; Y391-R511 HydrophobicContact CD2-CG 4.36Å; Y391-R511 HydrophobicContact CE1-CB 3.99Å; Y391-R511 HydrophobicContact CE1-CG 4.31Å; Y391-R511 HydrophobicContact CE2-CG 4.23Å; Y391-R511 HydrophobicContact CG-CB 4.47Å; Y391-R511 HydrophobicContact CG-CG 4.47Å
392L92.3Very high86.3Confident9 Ų971.9 Ų71.95%0.04736%0.359CS..EExtended strand (participates in β ladder)trans-75-37.5173.1-62.4-178.7000111.5L378 Y401 I403 I405 V410 V510 L516 Y518L378-L392 HydrophobicContact CD1-CD2 3.97Å; L392-Y401 PolarHBondContact O-OH 2.79Å; L392-I403 HydrophobicContact CB-CD1 3.94Å; L392-I403 HydrophobicContact CD1-CD1 4.48Å; L392-I403 HydrophobicContact CD1-CG2 4.39Å; L392-I403 HydrophobicContact CD2-CD1 4.3Å; L392-I403 HydrophobicContact CG-CD1 4.48Å; L392-I405 HydrophobicContact CD1-CD1 3.73Å; L392-V410 HydrophobicContact CD1-CG1 4.18Å; L392-V510 HydrophobicContact CB-CB 4.22Å; L392-V510 HydrophobicContact CB-CG1 4.24Å; L392-V510 HydrophobicContact CD1-CG1 4.13Å; L392-V510 PolarHBondContact N-O 2.66Å; L392-L516 HydrophobicContact CD1-CD1 3.78Å; L392-L516 HydrophobicContact CG-CD1 4.33Å; L392-Y518 HydrophobicContact CD2-CD1 4.38Å; L392-Y518 HydrophobicContact CD2-CE1 3.83Å; L392-Y518 HydrophobicContact CD2-CE2 4.32Å
393Y93.5Very high87.1Confident0 Ų067.4 Ų67.40%033%0.332CS..EExtended strand (participates in β ladder)trans-134.5145.2172-72-86.8000109.9V399 Y401 I403 Y429 P506 Y508 S509 V510Y393-V399 HydrophobicContact CD1-CB 4.28Å; Y393-V399 HydrophobicContact CD1-CG1 3.93Å; Y393-V399 HydrophobicContact CD1-CG2 3.82Å; Y393-V399 HydrophobicContact CE1-CB 4.04Å; Y393-V399 HydrophobicContact CE1-CG1 4.17Å; Y393-V399 HydrophobicContact CE1-CG2 3.51Å; Y393-Y401 HydrophobicContact CD1-CE2 4.16Å; Y393-Y401 HydrophobicContact CE1-CD2 4.03Å; Y393-Y401 AromaticContact CE1-CE2 3.55Å; Y393-Y401 HydrophobicContact CE1-CE2 3.55Å; Y393-Y401 HydrophobicContact CE2-CE2 4.16Å; Y393-Y401 AromaticContact CZ-CD2 3.81Å; Y393-Y401 AromaticContact CZ-CE2 3.56Å; Y393-Y401 WeakPolarHBondContact OH-CD2 3.46Å; Y393-Y401 PolarHBondContact OH-O 2.89Å; Y393-I403 HydrophobicContact CD2-CD1 4.36Å; Y393-I403 HydrophobicContact CE2-CB 3.98Å; Y393-I403 HydrophobicContact CE2-CD1 3.67Å; Y393-I403 HydrophobicContact CE2-CG1 3.93Å; Y393-I403 PolarHBondContact OH-N 2.82Å; Y393-Y429 HydrophobicContact CE2-CG 4.42Å; Y393-Y429 PolarHBondContact OH-O 3.33Å; Y393-P506 HydrophobicContact CD1-CG 4.07Å; Y393-Y508 HydrophobicContact CD2-CE2 4.33Å; Y393-Y508 HydrophobicContact CG-CE2 4.18Å; Y393-S509 CarbonylContact O-C 3.58Å; Y393-S509 VanDerWaalsContact O-CA 3.3Å; Y393-S509 WeakPolarHBondContact O-CA 3.34Å; Y393-V510 HydrophobicContact CD2-CB 4.2Å; Y393-V510 HydrophobicContact CD2-CG2 3.97Å; Y393-V510 HydrophobicContact CG-CG2 4.49Å; Y393-V510 PolarHBondContact N-O 3.44Å; Y393-V510 PolarHBondContact O-N 2.89Å
394H91.2Very high87.9Confident50 Ų5059.4 Ų59.423%0.23129%0.289CS..  trans-114.3131.4170.2-69.283.3000108.8Y391 N396 K397Y391-H394 WeakPolarHBondContact CB-CE1 3.37Å; Y391-H394 AromaticContact CG-NE2 3.83Å; H394-N396 PolarHBondContact O-N 2.86Å; H394-K397 HydrophobicContact CB-CB 3.95Å; H394-K397 HydrophobicContact CB-CD 3.55Å; H394-K397 HydrophobicContact CB-CG 3.68Å; H394-K397 PolarHBondContact O-N 3.01Å; H394-K397 VanDerWaalsContact O-N 3.15Å
395R89.4Confident88.7Confident67 Ų6755 Ų5525%0.25327%0.266SS..THydrogen-bonded Turntrans-54137.4174.3-178.7170.5-177.4-141.2-7111.3K397 G415 E418 D507 Y508 S509R395-K397 PolarHBondContact O-N 2.81Å; R395-K397 VanDerWaalsContact O-N 3.1Å; R395-G415 VanDerWaalsContact CZ-O 3.23Å; R395-G415 PolarHBondContact NH2-O 2.77Å; R395-E418 IonicContact NH1-OE1 3.66Å; R395-D507 WeakPolarHBondContact CD-O 3.33Å; R395-D507 PolarHBondContact NE-O 2.85Å; R395-Y508 WeakPolarHBondContact CA-O 3.28Å; R395-Y508 PolarHBondContact N-O 2.97Å; R395-S509 VanDerWaalsContact CB-OG 3.26Å; R395-S509 WeakPolarHBondContact CB-OG 3.49Å; R395-S509 PolarHBondContact N-OG 2.89Å
396N87.9Confident89.5Confident108 Ų10849.7 Ų49.758%0.57824%0.243SC*.THydrogen-bonded Turntrans59.214.6179.8-57.4-32.3000114.9H394 V505 P506H394-N396 PolarHBondContact O-N 2.86Å; N396-V505 VanDerWaalsContact CA-CG1 3.49Å; N396-P506 PolarHBondContact N-O 3.03Å
397K89.6Confident90.5Very high111 Ų11144.2 Ų44.248%0.48323%0.226SC..  trans-102.1128.5171.5-65-161.8-170.1167.60110.4H394 R395 P506H394-K397 HydrophobicContact CB-CB 3.95Å; H394-K397 HydrophobicContact CB-CD 3.55Å; H394-K397 HydrophobicContact CB-CG 3.68Å; H394-K397 PolarHBondContact O-N 3.01Å; H394-K397 VanDerWaalsContact O-N 3.15Å; R395-K397 PolarHBondContact O-N 2.81Å; R395-K397 VanDerWaalsContact O-N 3.1Å; K397-P506 WeakPolarHBondContact O-CD 3.26Å
398P89.1Confident90.9Very high65 Ų6544.6 Ų44.642%0.42223%0.23SC..  trans-65.2139.7-179.728.5-36000111.9M503 Y504 V505P398-M503 HydrophobicContact CB-CB 3.63Å; P398-M503 HydrophobicContact CB-CE 3.44Å; P398-M503 VanDerWaalsContact CB-CE 3.44Å; P398-M503 HydrophobicContact CB-CG 4.28Å; P398-M503 HydrophobicContact CB-SD 4.18Å; P398-M503 HydrophobicContact CG-CE 3.57Å; P398-Y504 CarbonylContact C-O 3.49Å; P398-Y504 WeakPolarHBondContact CA-O 3.5Å; P398-V505 HydrophobicContact CB-CG2 4.03Å
399V90.4Very high91.7Very high8 Ų846.3 Ų46.35%0.04823%0.225CC..BIsolated β-bridgetrans-141.1151.1-177-63.40000111.3Y393 Y401 Y504 P506Y393-V399 HydrophobicContact CD1-CB 4.28Å; Y393-V399 HydrophobicContact CD1-CG1 3.93Å; Y393-V399 HydrophobicContact CD1-CG2 3.82Å; Y393-V399 HydrophobicContact CE1-CB 4.04Å; Y393-V399 HydrophobicContact CE1-CG1 4.17Å; Y393-V399 HydrophobicContact CE1-CG2 3.51Å; V399-Y401 HydrophobicContact CB-CD1 4.43Å; V399-Y401 HydrophobicContact CB-CE1 3.99Å; V399-Y401 HydrophobicContact CG1-CE1 4.03Å; V399-Y504 HydrophobicContact CG2-CD1 3.58Å; V399-Y504 HydrophobicContact CG2-CE1 4.07Å; V399-Y504 PolarHBondContact N-O 2.75Å; V399-P506 HydrophobicContact CG2-CG 4.2Å
400D91.4Very high92.3Very high80 Ų8038.5 Ų38.543%0.42819%0.188SC..  trans-124.715.6-174.870.2-34.5000113R523D400-R523 WeakPolarHBondContact O-CB 3.32Å; D400-R523 PolarHBondContact O-N 2.96Å
401Y93.1Very high92.6Very high38 Ų3840.1 Ų40.115%0.14920%0.196CC..EExtended strand (participates in β ladder)trans-128.1152.1-178.554.7-95.2000112L392 Y393 V399 I403 A433 K520 V521L392-Y401 PolarHBondContact O-OH 2.79Å; Y393-Y401 HydrophobicContact CD1-CE2 4.16Å; Y393-Y401 HydrophobicContact CE1-CD2 4.03Å; Y393-Y401 AromaticContact CE1-CE2 3.55Å; Y393-Y401 HydrophobicContact CE1-CE2 3.55Å; Y393-Y401 HydrophobicContact CE2-CE2 4.16Å; Y393-Y401 AromaticContact CZ-CD2 3.81Å; Y393-Y401 AromaticContact CZ-CE2 3.56Å; Y393-Y401 WeakPolarHBondContact OH-CD2 3.46Å; Y393-Y401 PolarHBondContact OH-O 2.89Å; V399-Y401 HydrophobicContact CB-CD1 4.43Å; V399-Y401 HydrophobicContact CB-CE1 3.99Å; V399-Y401 HydrophobicContact CG1-CE1 4.03Å; Y401-I403 HydrophobicContact CD2-CD1 3.89Å; Y401-I403 HydrophobicContact CD2-CG1 3.89Å; Y401-I403 HydrophobicContact CE2-CD1 3.71Å; Y401-I403 HydrophobicContact CE2-CG1 4.21Å; Y401-A433 WeakPolarHBondContact O-CB 3.31Å; Y401-K520 HydrophobicContact CD2-CD 4.4Å; Y401-K520 HydrophobicContact CD2-CG 4.24Å; Y401-K520 HydrophobicContact CG-CD 4.43Å; Y401-K520 HydrophobicContact CG-CG 4.29Å; Y401-V521 CarbonylContact C-O 3.51Å; Y401-V521 VanDerWaalsContact CA-O 3.28Å; Y401-V521 WeakPolarHBondContact CA-O 3.06Å
402F95Very high92.8Very high0 Ų037.6 Ų37.60%019%0.186CC..EExtended strand (participates in β ladder)trans-100.7145.1170.2164.2-95.3000109.7L348 L352 F355 L404 F428 Y429 M431 L434 K520 V521L348-F402 HydrophobicContact CD2-CE1 4.12Å; L348-F402 HydrophobicContact CD2-CZ 4.25Å; L352-F402 HydrophobicContact CD1-CE2 4.35Å; L352-F402 HydrophobicContact CD1-CZ 3.76Å; F355-F402 HydrophobicContact CE2-CD1 4.27Å; F355-F402 HydrophobicContact CE2-CE1 4.04Å; F355-F402 HydrophobicContact CE2-CZ 4.26Å; F355-F402 HydrophobicContact CZ-CD1 4.21Å; F355-F402 HydrophobicContact CZ-CE1 4.31Å; F402-L404 HydrophobicContact CE1-CB 3.86Å; F402-L404 HydrophobicContact CZ-CB 3.97Å; F402-F428 HydrophobicContact CE2-CB 3.75Å; F402-F428 HydrophobicContact CE2-CD2 4.2Å; F402-F428 HydrophobicContact CE2-CG 4.33Å; F402-F428 HydrophobicContact CZ-CB 3.81Å; F402-Y429 WeakPolarHBondContact CD2-O 3.48Å; F402-M431 HydrophobicContact CD2-CE 4.24Å; F402-M431 HydrophobicContact CD2-SD 4.18Å; F402-M431 HydrophobicContact CE2-CE 3.58Å; F402-M431 HydrophobicContact CE2-SD 4.08Å; F402-M431 HydrophobicContact CZ-CE 4.34Å; F402-L434 HydrophobicContact CB-CD1 3.6Å; F402-L434 HydrophobicContact CB-CD2 3.86Å; F402-L434 HydrophobicContact CB-CG 3.69Å; F402-L434 HydrophobicContact CD1-CD1 4.43Å; F402-L434 HydrophobicContact CD2-CD1 4.39Å; F402-L434 HydrophobicContact CG-CD1 3.91Å; F402-L434 HydrophobicContact CG-CG 4.48Å; F402-K520 WeakPolarHBondContact O-CA 3.49Å; F402-V521 HydrophobicContact CD1-CB 4.32Å; F402-V521 HydrophobicContact CD1-CG2 4.47Å; F402-V521 PolarHBondContact N-O 2.96Å; F402-V521 PolarHBondContact O-N 3.18Å
403I95.6Very high92.9Very high1 Ų138.8 Ų38.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-128.3136.2174.7-65179.3000111L392 Y393 Y401 I405 F428 Y429 Y518 I519 K520L392-I403 HydrophobicContact CB-CD1 3.94Å; L392-I403 HydrophobicContact CD1-CD1 4.48Å; L392-I403 HydrophobicContact CD1-CG2 4.39Å; L392-I403 HydrophobicContact CD2-CD1 4.3Å; L392-I403 HydrophobicContact CG-CD1 4.48Å; Y393-I403 HydrophobicContact CD2-CD1 4.36Å; Y393-I403 HydrophobicContact CE2-CB 3.98Å; Y393-I403 HydrophobicContact CE2-CD1 3.67Å; Y393-I403 HydrophobicContact CE2-CG1 3.93Å; Y393-I403 PolarHBondContact OH-N 2.82Å; Y401-I403 HydrophobicContact CD2-CD1 3.89Å; Y401-I403 HydrophobicContact CD2-CG1 3.89Å; Y401-I403 HydrophobicContact CE2-CD1 3.71Å; Y401-I403 HydrophobicContact CE2-CG1 4.21Å; I403-I405 HydrophobicContact CG2-CD1 3.88Å; I403-F428 CarbonylContact O-C 3.54Å; I403-F428 VanDerWaalsContact O-CA 3.26Å; I403-F428 WeakPolarHBondContact O-CA 3.42Å; I403-Y429 PolarHBondContact N-O 2.93Å; I403-Y429 PolarHBondContact O-N 3.4Å; I403-Y518 HydrophobicContact CD1-CD2 4.39Å; I403-Y518 HydrophobicContact CD1-CE2 4.32Å; I403-Y518 HydrophobicContact CG1-CD2 4.41Å; I403-Y518 HydrophobicContact CG2-CD2 3.83Å; I403-Y518 HydrophobicContact CG2-CG 4.16Å; I403-I519 CarbonylContact C-O 3.5Å; I403-I519 WeakPolarHBondContact CA-O 3.49Å; I403-K520 HydrophobicContact CG1-CB 4.44Å; I403-K520 HydrophobicContact CG1-CG 4.27Å
404L96.1Very high92.7Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-121.3124.6165.9171.768.7000109.1F347 L348 F402 L406 F428 Y518 I519F347-L404 HydrophobicContact CD1-CD1 4.11Å; F347-L404 HydrophobicContact CD1-CD2 4.06Å; F347-L404 HydrophobicContact CE1-CD1 3.68Å; F347-L404 HydrophobicContact CE1-CD2 4.42Å; L348-L404 HydrophobicContact CD1-CD2 4.49Å; L348-L404 HydrophobicContact CD2-CD2 3.59Å; L348-L404 HydrophobicContact CG-CD2 3.97Å; F402-L404 HydrophobicContact CE1-CB 3.86Å; F402-L404 HydrophobicContact CZ-CB 3.97Å; L404-L406 HydrophobicContact CD2-CD2 4.31Å; L404-L406 HydrophobicContact CG-CD2 4.47Å; L404-F428 HydrophobicContact CD1-CB 3.97Å; L404-Y518 CarbonylContact O-C 3.58Å; L404-Y518 VanDerWaalsContact O-CA 3.23Å; L404-Y518 WeakPolarHBondContact O-CA 3.19Å; L404-Y518 VanDerWaalsContact O-CB 3.27Å; L404-Y518 WeakPolarHBondContact O-CB 3.29Å; L404-I519 HydrophobicContact CB-CB 4.27Å; L404-I519 HydrophobicContact CD2-CD1 4.04Å; L404-I519 PolarHBondContact N-O 3.19Å; L404-I519 PolarHBondContact O-N 3.24Å
405I96Very high92.2Very high0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-77.6126.2177-53.3-57.3000109.4L392 I403 V410 F426 S427 Y429L392-I405 HydrophobicContact CD1-CD1 3.73Å; I403-I405 HydrophobicContact CG2-CD1 3.88Å; I405-V410 HydrophobicContact CD1-CG1 3.92Å; I405-V410 HydrophobicContact CG1-CG1 4.26Å; I405-V410 HydrophobicContact CG1-CG2 4.44Å; I405-F426 WeakPolarHBondContact O-CA 3.48Å; I405-F426 PolarHBondContact O-N 3.45Å; I405-S427 PolarHBondContact N-O 3.38Å; I405-Y429 HydrophobicContact CG1-CE2 4.05Å
406L93.1Very high91.8Very high4 Ų444.7 Ų44.72%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-98.5-43.1176.8-65.5-176.9000112I336 L340 A344 L404 P425 R517 I519I336-L406 HydrophobicContact CD1-CD1 3.47Å; I336-L406 VanDerWaalsContact CD1-CD1 3.47Å; L340-L406 HydrophobicContact CD2-CB 4.36Å; A344-L406 HydrophobicContact CB-CD2 3.67Å; L404-L406 HydrophobicContact CD2-CD2 4.31Å; L404-L406 HydrophobicContact CG-CD2 4.47Å; L406-P425 WeakPolarHBondContact O-CB 3.38Å; L406-R517 WeakPolarHBondContact CA-O 3.39Å; L406-R517 WeakPolarHBondContact CB-O 3.46Å; L406-R517 PolarHBondContact N-O 3.41Å; L406-I519 HydrophobicContact CD1-CD1 3.92Å; L406-I519 HydrophobicContact CD1-CG1 3.81Å; L406-I519 HydrophobicContact CD2-CD1 3.75Å; L406-I519 HydrophobicContact CD2-CG1 4.38Å; L406-I519 HydrophobicContact CG-CD1 4.05Å; L406-I519 HydrophobicContact CG-CG1 4.13Å
407Q93.1Very high91.7Very high80 Ų8047.3 Ų47.337%0.37424%0.238SC..EExtended strand (participates in β ladder)trans-143.2147.9178-63.8-178.3-41.300109.7L340 L516 R517L340-Q407 HydrophobicContact CD2-CG 3.8Å; Q407-L516 WeakPolarHBondContact O-CA 3.34Å; Q407-R517 HydrophobicContact CB-CB 4.22Å; Q407-R517 PolarHBondContact N-O 2.8Å; Q407-R517 PolarHBondContact O-N 2.91Å
408G93.1Very high91.4Very high20 Ų2047.1 Ų47.121%0.20624%0.238CC..SBendtrans101.3-173.417900000114.4S514 D515G408-S514 VanDerWaalsContact CA-OG 3.26Å; G408-S514 WeakPolarHBondContact CA-OG 3.44Å; G408-D515 WeakPolarHBondContact CA-O 3.25Å
409K94.2Very high91.5Very high108 Ų10849.8 Ų49.847%0.4725%0.247SC..  trans-127.9134.5-173.7-70.4166.8165.1-1230111.1E422 R513 S514 L516K409-E422 WeakPolarHBondContact CD-OE1 3.25Å; K409-E422 WeakPolarHBondContact CE-OE1 3.23Å; K409-E422 IonicContact NZ-OE1 2.89Å; K409-E422 PolarHBondContact NZ-OE1 3.26Å; K409-R513 HydrophobicContact CB-CB 4.31Å; K409-R513 WeakPolarHBondContact O-CB 3.43Å; K409-R513 PolarHBondContact O-N 2.92Å; K409-S514 PolarHBondContact N-OG 3.03Å; K409-L516 WeakPolarHBondContact O-CD2 3.46Å
410V95.5Very high91.6Very high0 Ų055 Ų550%027%0.269CS..EExtended strand (participates in β ladder)trans-120.1147175.1-61.30000110.9L392 I405 V412 E422 A423 Y429 V510 R511 L516L392-V410 HydrophobicContact CD1-CG1 4.18Å; I405-V410 HydrophobicContact CD1-CG1 3.92Å; I405-V410 HydrophobicContact CG1-CG1 4.26Å; I405-V410 HydrophobicContact CG1-CG2 4.44Å; V410-V412 HydrophobicContact CG2-CG2 4.28Å; V410-E422 CarbonylContact O-C 3.58Å; V410-E422 WeakPolarHBondContact O-CA 3.38Å; V410-A423 HydrophobicContact CG2-CB 3.89Å; V410-A423 PolarHBondContact N-O 3.02Å; V410-A423 PolarHBondContact O-N 2.98Å; V410-Y429 HydrophobicContact CG2-CE2 4.27Å; V410-Y429 WeakPolarHBondContact CG2-OH 3.21Å; V410-V510 HydrophobicContact CB-CG1 3.8Å; V410-V510 HydrophobicContact CG1-CG1 4.11Å; V410-V510 HydrophobicContact CG2-CG1 3.97Å; V410-R511 CarbonylContact C-O 3.58Å; V410-R511 VanDerWaalsContact CA-O 3.24Å; V410-R511 WeakPolarHBondContact CA-O 3.24Å; V410-L516 HydrophobicContact CG1-CD1 3.62Å; V410-L516 HydrophobicContact CG1-CD2 3.87Å; V410-L516 HydrophobicContact CG1-CG 4.42Å
411E94.8Very high91.7Very high37 Ų3756 Ų5617%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-99.9127.7166.5178.1179.3-109.500108.5F421 R511 R513E411-F421 WeakPolarHBondContact CA-O 3.16Å; E411-R511 PolarHBondContact N-O 3.05Å; E411-R511 PolarHBondContact O-N 3.21Å; E411-R511 IonicContact OE2-CZ 2.92Å; E411-R511 IonicContact OE2-NE 3.5Å; E411-R511 PolarHBondContact OE2-NE 3.44Å; E411-R511 IonicContact OE2-NH2 3.5Å; E411-R511 PolarHBondContact OE2-NH2 2.92Å; E411-R513 HydrophobicContact CB-CG 3.81Å; E411-R513 VanDerWaalsContact CD-NH2 3.29Å; E411-R513 IonicContact OE1-CZ 2.88Å; E411-R513 IonicContact OE1-NE 3.51Å; E411-R513 IonicContact OE1-NH2 3.67Å; E411-R513 PolarHBondContact OE1-NH2 3.35Å; E411-R513 IonicContact OE2-CZ 3.87Å; E411-R513 IonicContact OE2-NE 3.18Å; E411-R513 PolarHBondContact OE2-NE 3.41Å; E411-R513 IonicContact OE2-NH2 2.73Å; E411-R513 PolarHBondContact OE2-NH2 2.81Å
412V95Very high91.8Very high3 Ų359.8 Ų59.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-109.5127.6176.9-173.10000108.6V410 A414 K420 F421 A423 Y429 S509 V510V410-V412 HydrophobicContact CG2-CG2 4.28Å; V412-A414 HydrophobicContact CG1-CB 4.38Å; V412-K420 WeakPolarHBondContact O-CA 3.45Å; V412-F421 HydrophobicContact CB-CD1 4.18Å; V412-F421 HydrophobicContact CB-CD2 4.21Å; V412-F421 HydrophobicContact CB-CE1 3.7Å; V412-F421 HydrophobicContact CB-CE2 3.73Å; V412-F421 HydrophobicContact CB-CG 4.43Å; V412-F421 HydrophobicContact CB-CZ 3.46Å; V412-F421 VanDerWaalsContact CB-CZ 3.46Å; V412-F421 HydrophobicContact CG1-CE1 3.68Å; V412-F421 HydrophobicContact CG1-CE2 4.26Å; V412-F421 HydrophobicContact CG1-CZ 3.51Å; V412-F421 HydrophobicContact CG2-CD2 4.46Å; V412-F421 HydrophobicContact CG2-CE2 3.84Å; V412-F421 HydrophobicContact CG2-CZ 3.95Å; V412-F421 PolarHBondContact N-O 3.48Å; V412-F421 PolarHBondContact O-N 3.02Å; V412-A423 HydrophobicContact CG2-CB 4.33Å; V412-Y429 HydrophobicContact CG1-CE1 4.44Å; V412-Y429 HydrophobicContact CG2-CE1 3.75Å; V412-Y429 WeakPolarHBondContact CG2-OH 3.13Å; V412-S509 WeakPolarHBondContact CA-O 3.38Å; V412-V510 HydrophobicContact CG1-CG2 4.37Å; V412-V510 HydrophobicContact CG2-CG1 4.43Å; V412-V510 HydrophobicContact CG2-CG2 4.28Å
413E93.3Very high91.8Very high35 Ų3560.5 Ų60.516%0.16430%0.295CS..EExtended strand (participates in β ladder)trans-111.6108.8173.2179.6171.5-14500108E418 M419 K420 Y508 S509E413-E418 HydrophobicContact CG-CB 4.11Å; E413-E418 HydrophobicContact CG-CG 4.47Å; E413-M419 WeakPolarHBondContact CA-O 3.41Å; E413-K420 HydrophobicContact CB-CG 4.15Å; E413-K420 HydrophobicContact CG-CG 4.18Å; E413-K420 WeakPolarHBondContact OE1-CE 3.43Å; E413-K420 IonicContact OE1-NZ 3.44Å; E413-K420 PolarHBondContact OE1-NZ 2.96Å; E413-Y508 CarbonylContact O-C 3.57Å; E413-Y508 WeakPolarHBondContact O-CA 3.42Å; E413-Y508 WeakPolarHBondContact O-CB 3.5Å; E413-S509 PolarHBondContact N-O 3.11Å; E413-S509 PolarHBondContact O-N 2.94Å
414A89.9Confident91.7Very high22 Ų2261.7 Ų61.718%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-124.1154.1-170.500000113.1V412 M419 F421V412-A414 HydrophobicContact CG1-CB 4.38Å; A414-M419 PolarHBondContact N-O 2.93Å; A414-M419 PolarHBondContact O-N 3.47Å; A414-M419 VanDerWaalsContact O-N 3.13Å; A414-F421 HydrophobicContact CB-CE1 4.18Å
415G81.4Confident91.6Very high23 Ų2365.3 Ų65.324%0.23733%0.331CS..THydrogen-bonded Turntrans78.4175.2174.900000114.3R395 E417 E418R395-G415 VanDerWaalsContact CZ-O 3.23Å; R395-G415 PolarHBondContact NH2-O 2.77Å; G415-E417 PolarHBondContact O-N 2.99Å; G415-E418 PolarHBondContact O-N 3.43Å
416K80.9Confident91.5Very high195 Ų19568.3 Ų68.385%0.84834%0.344SS*.THydrogen-bonded Turntrans-70.5-22.4178.3-66.4179.9-177.3174.50113.4
417E84.7Confident91.6Very high164 Ų16469.2 Ų69.277%0.76635%0.351SS*.THydrogen-bonded Turntrans-92.64.4-177.7-61.6178.2179.600113.1G415 M419G415-E417 PolarHBondContact O-N 2.99Å; E417-M419 VanDerWaalsContact C-N 3.29Å; E417-M419 HydrophobicContact CB-CG 4.49Å; E417-M419 PolarHBondContact O-N 3.22Å
418E84.6Confident91.6Very high106 Ų10669.8 Ų69.850%0.49535%0.352SS..THydrogen-bonded Turntrans55.440.5176-63.5-176.9173.800113.8R395 E413 G415 K420R395-E418 IonicContact NH1-OE1 3.66Å; E413-E418 HydrophobicContact CG-CB 4.11Å; E413-E418 HydrophobicContact CG-CG 4.47Å; G415-E418 PolarHBondContact O-N 3.43Å; E418-K420 PolarHBondContact O-N 2.87Å
419M90.1Very high91.7Very high121 Ų12169.8 Ų69.860%0.59635%0.346SS*.EExtended strand (participates in β ladder)trans-64.6127.6176.2-68.9-168.4-69.100110.2E413 A414 E417E413-M419 WeakPolarHBondContact CA-O 3.41Å; A414-M419 PolarHBondContact N-O 2.93Å; A414-M419 PolarHBondContact O-N 3.47Å; A414-M419 VanDerWaalsContact O-N 3.13Å; E417-M419 VanDerWaalsContact C-N 3.29Å; E417-M419 HydrophobicContact CB-CG 4.49Å; E417-M419 PolarHBondContact O-N 3.22Å
420K93.3Very high91.5Very high119 Ų11964.8 Ų64.852%0.51733%0.325SS..EExtended strand (participates in β ladder)trans-105.9129.1-178.7-72.1169.3-177.5158.20110.6V412 E413 E418V412-K420 WeakPolarHBondContact O-CA 3.45Å; E413-K420 HydrophobicContact CB-CG 4.15Å; E413-K420 HydrophobicContact CG-CG 4.18Å; E413-K420 WeakPolarHBondContact OE1-CE 3.43Å; E413-K420 IonicContact OE1-NZ 3.44Å; E413-K420 PolarHBondContact OE1-NZ 2.96Å; E418-K420 PolarHBondContact O-N 2.87Å
421F93.8Very high91.2Very high101 Ų10166.1 Ų66.144%0.44333%0.331SS..EExtended strand (participates in β ladder)trans-138.9156171.164.2-86.9000110.7E411 V412 A414 A423E411-F421 WeakPolarHBondContact CA-O 3.16Å; V412-F421 HydrophobicContact CB-CD1 4.18Å; V412-F421 HydrophobicContact CB-CD2 4.21Å; V412-F421 HydrophobicContact CB-CE1 3.7Å; V412-F421 HydrophobicContact CB-CE2 3.73Å; V412-F421 HydrophobicContact CB-CG 4.43Å; V412-F421 HydrophobicContact CB-CZ 3.46Å; V412-F421 VanDerWaalsContact CB-CZ 3.46Å; V412-F421 HydrophobicContact CG1-CE1 3.68Å; V412-F421 HydrophobicContact CG1-CE2 4.26Å; V412-F421 HydrophobicContact CG1-CZ 3.51Å; V412-F421 HydrophobicContact CG2-CD2 4.46Å; V412-F421 HydrophobicContact CG2-CE2 3.84Å; V412-F421 HydrophobicContact CG2-CZ 3.95Å; V412-F421 PolarHBondContact N-O 3.48Å; V412-F421 PolarHBondContact O-N 3.02Å; A414-F421 HydrophobicContact CB-CE1 4.18Å; F421-A423 HydrophobicContact CE2-CB 4.33Å
422E95.1Very high90.8Very high116 Ų11669.5 Ų69.554%0.54235%0.348SS..EExtended strand (participates in β ladder)trans-95.8135.5175.1-171.5175.8138.400109.3K409 V410K409-E422 WeakPolarHBondContact CD-OE1 3.25Å; K409-E422 WeakPolarHBondContact CE-OE1 3.23Å; K409-E422 IonicContact NZ-OE1 2.89Å; K409-E422 PolarHBondContact NZ-OE1 3.26Å; V410-E422 CarbonylContact O-C 3.58Å; V410-E422 WeakPolarHBondContact O-CA 3.38Å
423A94.2Very high90.4Very high16 Ų1669.3 Ų69.313%0.13235%0.347CS..EExtended strand (participates in β ladder)trans-125.9147.1174.600000110.6V410 V412 F421 Y429V410-A423 HydrophobicContact CG2-CB 3.89Å; V410-A423 PolarHBondContact N-O 3.02Å; V410-A423 PolarHBondContact O-N 2.98Å; V412-A423 HydrophobicContact CG2-CB 4.33Å; F421-A423 HydrophobicContact CE2-CB 4.33Å; A423-Y429 VanDerWaalsContact CB-OH 3.25Å; A423-Y429 WeakPolarHBondContact CB-OH 3.39Å
424G93.3Very high90.1Very high26 Ų2667.7 Ų67.727%0.26834%0.34SS..  trans-110.9-158-174.900000113.9S427G424-S427 WeakPolarHBondContact O-CB 3.26Å; G424-S427 PolarHBondContact O-N 3.13Å; G424-S427 PolarHBondContact O-OG 3.44Å
425P94.3Very high89.4Confident76 Ų7669.1 Ų69.149%0.49435%0.346SS..THydrogen-bonded Turntrans-53.7150.3174.8-27.537.3000113.1L406 S427L406-P425 WeakPolarHBondContact O-CB 3.38Å; P425-S427 PolarHBondContact O-N 3.02Å
426F93.8Very high88.4Confident62 Ų6269.6 Ų69.627%0.27235%0.348SS..THydrogen-bonded Turntrans62.414-178.2-65.7-96.2000115.6L340 A343 F347 I405L340-F426 HydrophobicContact CD1-CE2 4.24Å; L340-F426 HydrophobicContact CD1-CZ 4.18Å; A343-F426 HydrophobicContact CB-CZ 3.98Å; F347-F426 HydrophobicContact CB-CD1 3.8Å; F347-F426 HydrophobicContact CB-CE1 3.78Å; F347-F426 AromaticContact CD1-CD1 3.77Å; F347-F426 HydrophobicContact CD1-CD1 3.77Å; F347-F426 HydrophobicContact CD1-CE1 4.46Å; F347-F426 AromaticContact CD2-CD1 3.86Å; F347-F426 HydrophobicContact CD2-CD1 3.86Å; F347-F426 HydrophobicContact CE1-CD1 4.29Å; F347-F426 HydrophobicContact CE2-CB 4.33Å; F347-F426 HydrophobicContact CE2-CD1 4.37Å; F347-F426 AromaticContact CG-CD1 3.53Å; F347-F426 HydrophobicContact CG-CD1 3.53Å; F347-F426 HydrophobicContact CG-CE1 4.05Å; F347-F426 HydrophobicContact CZ-CB 4.29Å; F347-F426 WeakPolarHBondContact CZ-O 3.44Å; I405-F426 WeakPolarHBondContact O-CA 3.48Å; I405-F426 PolarHBondContact O-N 3.45Å
427S94.7Very high86.9Confident24 Ų2464.1 Ų64.117%0.16833%0.333CS..  trans-79.5136.8163.660.30000110.9I405 G424 P425 Y429I405-S427 PolarHBondContact N-O 3.38Å; G424-S427 WeakPolarHBondContact O-CB 3.26Å; G424-S427 PolarHBondContact O-N 3.13Å; G424-S427 PolarHBondContact O-OG 3.44Å; P425-S427 PolarHBondContact O-N 3.02Å; S427-Y429 PolarHBondContact OG-OH 3.43Å
428F94.3Very high84.9Confident91 Ų9162 Ų6240%0.39933%0.333SS..EExtended strand (participates in β ladder)trans-125.8152.1-176.763.9-93.9000112.9F347 L352 F402 I403 L404 M431F347-F428 HydrophobicContact CE1-CD1 4.17Å; F347-F428 HydrophobicContact CZ-CD1 4.1Å; F347-F428 HydrophobicContact CZ-CE1 4.37Å; L352-F428 HydrophobicContact CD2-CD1 3.6Å; L352-F428 HydrophobicContact CD2-CD2 4.01Å; L352-F428 HydrophobicContact CD2-CE1 3.41Å; L352-F428 VanDerWaalsContact CD2-CE1 3.41Å; L352-F428 HydrophobicContact CD2-CE2 3.83Å; L352-F428 HydrophobicContact CD2-CG 3.9Å; L352-F428 HydrophobicContact CD2-CZ 3.53Å; F402-F428 HydrophobicContact CE2-CB 3.75Å; F402-F428 HydrophobicContact CE2-CD2 4.2Å; F402-F428 HydrophobicContact CE2-CG 4.33Å; F402-F428 HydrophobicContact CZ-CB 3.81Å; I403-F428 CarbonylContact O-C 3.54Å; I403-F428 VanDerWaalsContact O-CA 3.26Å; I403-F428 WeakPolarHBondContact O-CA 3.42Å; L404-F428 HydrophobicContact CD1-CB 3.97Å; F428-M431 HydrophobicContact CD2-CE 3.71Å; F428-M431 HydrophobicContact CE2-CE 3.8Å; F428-M431 HydrophobicContact CG-CE 4.49Å
429Y94.6Very high82.7Confident21 Ų2161.1 Ų61.18%0.08234%0.335CS..EExtended strand (participates in β ladder)trans-142.6151.8-173.3-54.8-79.8000111.2Y393 F402 I403 I405 V410 V412 A423 S427 Y508 V510Y393-Y429 HydrophobicContact CE2-CG 4.42Å; Y393-Y429 PolarHBondContact OH-O 3.33Å; F402-Y429 WeakPolarHBondContact CD2-O 3.48Å; I403-Y429 PolarHBondContact N-O 2.93Å; I403-Y429 PolarHBondContact O-N 3.4Å; I405-Y429 HydrophobicContact CG1-CE2 4.05Å; V410-Y429 HydrophobicContact CG2-CE2 4.27Å; V410-Y429 WeakPolarHBondContact CG2-OH 3.21Å; V412-Y429 HydrophobicContact CG1-CE1 4.44Å; V412-Y429 HydrophobicContact CG2-CE1 3.75Å; V412-Y429 WeakPolarHBondContact CG2-OH 3.13Å; A423-Y429 VanDerWaalsContact CB-OH 3.25Å; A423-Y429 WeakPolarHBondContact CB-OH 3.39Å; S427-Y429 PolarHBondContact OG-OH 3.43Å; Y429-Y508 AromaticContact CD1-CE2 3.93Å; Y429-Y508 HydrophobicContact CD1-CE2 3.93Å; Y429-Y508 HydrophobicContact CG-CE2 4.43Å; Y429-V510 HydrophobicContact CD1-CG2 3.8Å; Y429-V510 HydrophobicContact CD2-CG2 4.41Å; Y429-V510 HydrophobicContact CE1-CG2 3.91Å; Y429-V510 HydrophobicContact CE2-CG1 4.22Å; Y429-V510 HydrophobicContact CG-CG2 4.06Å
430G89.9Confident80Confident2 Ų260.9 Ų60.92%0.02134%0.342CS..  trans72.230.5172.300000115.4M432 A433 Y508G430-M432 VanDerWaalsContact C-N 3.3Å; G430-M432 PolarHBondContact O-N 3.46Å; G430-A433 WeakPolarHBondContact O-CA 3.44Å; G430-A433 WeakPolarHBondContact O-CB 3.16Å; G430-A433 PolarHBondContact O-N 3.44Å; G430-Y508 PolarHBondContact N-OH 3Å
431M88.6Confident77.4Confident29 Ų2963.8 Ų63.814%0.14336%0.362CS..THydrogen-bonded Turntrans-55-44.8-179.6-166.862.172.200113.1L352 P354 F402 F428 A433 L434L352-M431 HydrophobicContact CB-CE 3.86Å; L352-M431 HydrophobicContact CD1-CE 3.92Å; L352-M431 HydrophobicContact CD2-CE 3.53Å; L352-M431 HydrophobicContact CG-CE 3.94Å; P354-M431 HydrophobicContact CB-SD 4.41Å; P354-M431 HydrophobicContact CG-CG 4.09Å; P354-M431 HydrophobicContact CG-SD 3.52Å; P354-M431 VanDerWaalsContact CG-SD 3.52Å; F402-M431 HydrophobicContact CD2-CE 4.24Å; F402-M431 HydrophobicContact CD2-SD 4.18Å; F402-M431 HydrophobicContact CE2-CE 3.58Å; F402-M431 HydrophobicContact CE2-SD 4.08Å; F402-M431 HydrophobicContact CZ-CE 4.34Å; F428-M431 HydrophobicContact CD2-CE 3.71Å; F428-M431 HydrophobicContact CE2-CE 3.8Å; F428-M431 HydrophobicContact CG-CE 4.49Å; M431-A433 PolarHBondContact O-N 3.47Å; M431-A433 VanDerWaalsContact O-N 3.14Å; M431-L434 PolarHBondContact O-N 2.86Å
432M86.9Confident74.5Confident107 Ų10763.7 Ų63.753%0.52737%0.374SS..Hα-helixtrans-66.1-14.5178.7-61-61.5114.700112.9G430 L434 A436 Y504G430-M432 VanDerWaalsContact C-N 3.3Å; G430-M432 PolarHBondContact O-N 3.46Å; M432-L434 PolarHBondContact O-N 3.1Å; M432-A436 PolarHBondContact O-N 3.46Å; M432-Y504 HydrophobicContact CB-CD2 3.67Å; M432-Y504 HydrophobicContact CB-CE2 3.85Å; M432-Y504 HydrophobicContact CB-CG 4.3Å; M432-Y504 HydrophobicContact CG-CE2 4.47Å
433A87.6Confident71.5Confident0 Ų065.4 Ų65.40%039%0.386CS..Hα-helixtrans-65.8-24.5171.900000111.7Y401 G430 M431 Y504 R523Y401-A433 WeakPolarHBondContact O-CB 3.31Å; G430-A433 WeakPolarHBondContact O-CA 3.44Å; G430-A433 WeakPolarHBondContact O-CB 3.16Å; G430-A433 PolarHBondContact O-N 3.44Å; M431-A433 PolarHBondContact O-N 3.47Å; M431-A433 VanDerWaalsContact O-N 3.14Å; A433-Y504 HydrophobicContact CB-CD1 3.85Å; A433-Y504 HydrophobicContact CB-CG 4.27Å; A433-R523 VanDerWaalsContact O-CZ 3.29Å; A433-R523 PolarHBondContact O-NE 2.9Å; A433-R523 PolarHBondContact O-NH2 3.36Å
434L85.9Confident68.4Low0 Ų069.6 Ų69.60%041%0.414CS..Hα-helixtrans-90.1-37.7178.8-56.8-178.1000113.3F355 F402 M431 M432 V521 Y526F355-L434 HydrophobicContact CE2-CD1 3.86Å; F355-L434 HydrophobicContact CZ-CD1 3.54Å; F402-L434 HydrophobicContact CB-CD1 3.6Å; F402-L434 HydrophobicContact CB-CD2 3.86Å; F402-L434 HydrophobicContact CB-CG 3.69Å; F402-L434 HydrophobicContact CD1-CD1 4.43Å; F402-L434 HydrophobicContact CD2-CD1 4.39Å; F402-L434 HydrophobicContact CG-CD1 3.91Å; F402-L434 HydrophobicContact CG-CG 4.48Å; M431-L434 PolarHBondContact O-N 2.86Å; M432-L434 PolarHBondContact O-N 3.1Å; L434-V521 HydrophobicContact CD2-CG1 4.33Å; L434-Y526 HydrophobicContact CB-CD1 4.01Å; L434-Y526 HydrophobicContact CB-CE1 4.35Å; L434-Y526 HydrophobicContact CB-CG 4.17Å; L434-Y526 HydrophobicContact CD1-CD2 4.14Å; L434-Y526 HydrophobicContact CD1-CG 4.29Å; L434-Y526 HydrophobicContact CD2-CG 4.29Å; L434-Y526 HydrophobicContact CG-CG 4.49Å
435T76.3Confident65.5Low52 Ų5279.9 Ų79.932%0.31945%0.445SS..Hα-helixtrans-102.5-4.3-166.654.10000115.6P354 P437P354-T435 HydrophobicContact CB-CG2 3.98Å; P354-T435 HydrophobicContact CG-CG2 3.53Å; T435-P437 VanDerWaalsContact O-CD 3.27Å; T435-P437 WeakPolarHBondContact O-CD 3.24Å
436A59.7Low62.3Low34 Ų3482.2 Ų82.228%0.28146%0.458SS..  trans-45.9112.4-172.500000112.7M432M432-A436 PolarHBondContact O-N 3.46Å
437P50.6Low59.1Low80 Ų8089 Ų8952%0.51949%0.488SS..  trans-73.7151.8177.228.3-31.5000110.4T435 V439T435-P437 VanDerWaalsContact O-CD 3.27Å; T435-P437 WeakPolarHBondContact O-CD 3.24Å; P437-V439 HydrophobicContact CG-CG2 4Å; P437-V439 PolarHBondContact O-N 2.88Å
438P41Very low55.9Low118 Ų11893.9 Ų93.977%0.76652%0.517SS*.  trans-70.896.9167.629.5-30.2000107.9
439V38.5Very low52.7Low89 Ų8995.8 Ų95.854%0.53954%0.536SS..  trans-91.2119.5173.3-163.70000108.1P437 L441P437-V439 HydrophobicContact CG-CG2 4Å; P437-V439 PolarHBondContact O-N 2.88Å; V439-L441 PolarHBondContact O-N 3.19Å
440P34.4Very low49.5Very low115 Ų115100.5 Ų100.575%0.74757%0.571SS**  trans-68.3129174.526.7-30000109.5S442P440-S442 PolarHBondContact O-N 3.27Å
441L38.4Very low46.5Very low180 Ų180112 Ų11294%0.94261%0.614SS**  trans-56.7107.3172.6-86.5159000110.4V439V439-L441 PolarHBondContact O-N 3.19Å
442S31.9Very low43.5Very low99 Ų99114.2 Ų114.269%0.69264%0.637SS**  trans-158.7125.8159.3126.80000112.3P440P440-S442 PolarHBondContact O-N 3.27Å
443L32.8Very low40.6Very low153 Ų153117.8 Ų117.880%0.80165%0.653SS**  trans79.899.7160.8-81.996.7000121.2
444S28.3Very low37.6Very low103 Ų103122.8 Ų122.872%0.7269%0.688SS**  88.3111.7113.8-59.40000119.9T446S444-T446 PolarHBondContact O-N 2.73Å
445R34.2Very low34.8Very low243 Ų243130.8 Ų130.892%0.91773%0.73SS**  trans-22.6126.3144.3-67173.4176.1178.6-1.9112.5
446T26Very low32.5Very low124 Ų124133.2 Ų133.276%0.76176%0.755SS**  -163.5119.2118.7-61.90000108.2S444S444-T446 PolarHBondContact O-N 2.73Å
447F26.8Very low30.9Very low205 Ų205135.3 Ų135.390%0.89978%0.78SS**  trans-66.2123.5162.4-95.3-106.3000108.7
448T27.1Very low29.8Very low127 Ų127137.2 Ų137.278%0.77980%0.795SS**  trans-140.3139.8146.246.30000110.4
449V27.7Very low29.8Very low131 Ų131137.9 Ų137.979%0.79480%0.8SS**  trans-73.6143.8-166.5167.20000111.7
450S27.7Very low29.3Very low119 Ų119137 Ų13783%0.83281%0.808SS**  trans-104116.2161.2-510000110.1
451R25.9Very low28.9Very low243 Ų243139.4 Ų139.492%0.91781%0.812SS**  trans175.6139.5154.7-125.1179.8162.7133-1.3107.7
452A25.8Very low28.4Very low76 Ų76137 Ų13763%0.62880%0.8SS**  cis-170.6173.3-16.500000106.7
453E25.3Very low28.2Very low182 Ų182142.2 Ų142.285%0.8581%0.81SS**  trans84.7113.3151.6-75.4170.5-168.900122.5
454S25.6Very low27.8Very low106 Ų106140.3 Ų140.374%0.74181%0.81SS**  108.2126.9123.382.20000120.4
455L27.2Very low28.9Very low168 Ų168141 Ų14188%0.8881%0.812SS**  trans33.7123.5145.6-7797.9000120.9
456A28Very low29.3Very low102 Ų102135.4 Ų135.484%0.84381%0.807SS**  144.6138.9109.600000113.3
457G25.7Very low29.4Very low79 Ų79140.8 Ų140.881%0.81481%0.813SS**  trans86.5100.9143.400000119.1
458S27.5Very low29.3Very low120 Ų120136 Ų13684%0.83981%0.805SS**  trans-66.2169.2141.1-72.80000110
459P40.9Very low29.2Very low132 Ų132140.3 Ų140.386%0.85781%0.813SS**  cis-144.5176.423.638.9-17.7000116.9
460G27.9Very low29.1Very low70 Ų70137.3 Ų137.372%0.72281%0.809SS**  trans138.199.114400000119.6
461M27.1Very low29.2Very low165 Ų165139.2 Ų139.281%0.81381%0.809SS**  trans70.5115.4136.1-66.7-179.374.900123.1
462N26.5Very low29.2Very low129 Ų129133.8 Ų133.869%0.6980%0.798SS**  57.2114.2124.3-58.6-9.9000120.8
463K27.2Very low29.3Very low209 Ų209138.2 Ų138.291%0.90981%0.806SS**  172.1133.8104.9-93.6170179.9177.40111.6
464S25.9Very low29.4Very low114 Ų114134.7 Ų134.780%0.79780%0.801SS**  trans-88.2-171.3168.7-46.50000111
465P50.9Low29.5Very low118 Ų118136.6 Ų136.677%0.76680%0.803SS**  -113.8-156.4-90.942.2-22.8000109.7
466P43.6Very low29.4Very low124 Ų124133.1 Ų133.181%0.80579%0.793SS**  -153.9-175.959.136.9-11000117.1
467R27.8Very low29.5Very low237 Ų237135.3 Ų135.389%0.89479%0.79SS**  trans-76.3157.6170.8-70.2174.7169.8156.9-4.4113.8
468S25Very low29.5Very low106 Ų106138.3 Ų138.374%0.74179%0.787SS**  177.3121.7129.747.10000110.6
469F24.9Very low29.5Very low216 Ų216144.3 Ų144.395%0.94779%0.791SS**  65.2132.1101.4-87.9-82.3000117.6
470G24.5Very low28.9Very low68 Ų68142.7 Ų142.770%0.70178%0.783SS**  trans138.288.4143.900000119
471L29.2Very low28.8Very low160 Ų160147.7 Ų147.784%0.83879%0.793SS**  31.2144.8128.6-69166.9000124
472N26.5Very low28.8Very low128 Ų128149.2 Ų149.268%0.68479%0.79SS**  trans103.5109138.3-72.5-15.8000122
473H27.4Very low28.8Very low170 Ų170151.4 Ų151.479%0.78780%0.8SS**  65.5155118.1-98.2-73.8000123.7
474S29.3Very low28.7Very low108 Ų108147.9 Ų147.976%0.75579%0.786SS**  trans81.5153.5165.471.40000117.6
475D25.7Very low28.7Very low145 Ų145146.7 Ų146.778%0.77578%0.784SS**  cis-173.9152.3-40.5-130.4-28.9000105.6
476S26.7Very low27.5Very low95 Ų95148.6 Ų148.666%0.66479%0.786SS**  trans77.8122.1141.989.70000121.9
477L29.3Very low26.8Very low149 Ų149149.2 Ų149.278%0.7879%0.787SS**  135.1109.8115.9-81.5169.4000117
478N25.7Very low26.9Very low142 Ų142142.7 Ų142.776%0.75978%0.776SS**  trans37.3123133.2-84.8-9000121.2
479R28Very low26.8Very low245 Ų245143.9 Ų143.993%0.92578%0.779SS**  -158.7124.3113.6-132.4178.8-175.2-179.10.6112.7
480S26.9Very low27.4Very low98 Ų98142.2 Ų142.269%0.68578%0.779SS**  trans-73.2142.5169.2-44.80000110.9
481D27.6Very low27.5Very low175 Ų175142 Ų14294%0.93678%0.776SS**  trans-152.9133.6136.5-98.7-31.4000110
482R26.5Very low27.9Very low198 Ų198142.3 Ų142.375%0.74778%0.779SS**  trans-112.6124.9-168177.9-176.1175.6-177.9-3.2107.7E484R482-E484 IonicContact CZ-OE1 2.87Å; R482-E484 IonicContact NE-OE1 3.6Å; R482-E484 IonicContact NH2-OE1 3.63Å; R482-E484 PolarHBondContact NH2-OE1 3.13Å
483I26.9Very low28.1Very low174 Ų174140.1 Ų140.189%0.89277%0.773SS**  trans-136.4133.2155.4-62.4-176.3000108.5
484E24.3Very low28.3Very low135 Ų135138 Ų13863%0.63177%0.768SS**  trans-85.3155.4-167.5-69.9175.6155.700114.5R482R482-E484 IonicContact CZ-OE1 2.87Å; R482-E484 IonicContact NE-OE1 3.6Å; R482-E484 IonicContact NH2-OE1 3.63Å; R482-E484 PolarHBondContact NH2-OE1 3.13Å
485A25.1Very low28.8Very low90 Ų90140.4 Ų140.474%0.74477%0.772SS**  trans71.6120145.500000119.7
486I25.8Very low29.3Very low157 Ų157141.5 Ų141.581%0.80577%0.773SS**  -168.6121.493.7-79.6147.4000107.8
487T29Very low29.6Very low137 Ų137142.6 Ų142.684%0.8477%0.77SS**  trans-100.8137.7158.6-33.20000106.4
488P29.7Very low29.8Very low100 Ų100141.4 Ų141.465%0.64977%0.765SS**  -143.8153.9108.526.1-5.5000115.7
489T24.2Very low30.5Very low132 Ų132138.5 Ų138.581%0.8176%0.756SS**  trans7293.614954.30000119.1G491T489-G491 PolarHBondContact O-N 3.26Å
490L36.7Very low31Very low181 Ų181133 Ų13395%0.94874%0.744SS**  trans-64.7110159.5-170.471000109.8
491G26.2Very low31.9Very low62 Ų62134.3 Ų134.364%0.63974%0.743SS**  trans-131.9122.8169.900000109.6T489 S493T489-G491 PolarHBondContact O-N 3.26Å; G491-S493 PolarHBondContact O-N 3.4Å
492N38.4Very low33.4Very low167 Ų167129.9 Ų129.989%0.89372%0.716SS**SBendtrans-29.4108.5177.1-73.913000115.5
493S31.4Very low35.5Very low82 Ų82124.9 Ų124.957%0.57370%0.703SS**  trans-157.718.1166.4-64.90000115.3G491G491-S493 PolarHBondContact O-N 3.4Å
494N30.3Very low38.4Very low127 Ų127118.8 Ų118.868%0.67967%0.669SS**Hα-helixtrans-88.8-8.8-172.3-74-6.1000115.7
495N40Very low41.4Very low158 Ų158115.7 Ų115.785%0.84566%0.659SS**Hα-helixtrans-86.6-17.5180-79.1-2.1000114.5
496Q37.5Very low44.5Very low167 Ų167111.4 Ų111.478%0.7862%0.623SS**Hα-helixtrans-91.6-24.7178.5-74-165.1-3200113.6
497L32.3Very low47.6Very low118 Ų118108.2 Ų108.262%0.61861%0.608SS**Hα-helixtrans-84.6-20.5-177.3-85.8146.6000114
498N34.4Very low50.7Low125 Ų125103 Ų10367%0.66857%0.573SS**SBendtrans-86.7-12.2179.3-94.7-20.6000114.8L500N498-L500 VanDerWaalsContact C-N 3.34Å
499S39.8Very low53.7Low81 Ų8199 Ų9957%0.56655%0.547SS*.THydrogen-bonded Turntrans-77.1-20.5179.882.10000113.5
500L37.7Very low57Low129 Ų12992.7 Ų92.768%0.67551%0.508SS*.THydrogen-bonded Turntrans-84.2-12.6-174.9-85.3155000114N498N498-L500 VanDerWaalsContact C-N 3.34Å
501L46.5Very low59.7Low125 Ų12584.7 Ų84.765%0.65447%0.466SS*.SBendtrans-91-15.7-167.2-78.8166.9000115.5
502H59.5Low62.9Low83 Ų8381.7 Ų81.738%0.38444%0.435SS..  trans-149.475.9178.8-80.3-100.1000112.1R523H502-R523 PolarHBondContact O-NH1 3.42Å; H502-R523 PolarHBondContact O-NH2 3.1Å
503M70.3Confident65.4Low93 Ų9378.6 Ų78.646%0.45841%0.411SS..  trans-84.1132.7170.1-79.8155.386.800110.6P398P398-M503 HydrophobicContact CB-CB 3.63Å; P398-M503 HydrophobicContact CB-CE 3.44Å; P398-M503 VanDerWaalsContact CB-CE 3.44Å; P398-M503 HydrophobicContact CB-CG 4.28Å; P398-M503 HydrophobicContact CB-SD 4.18Å; P398-M503 HydrophobicContact CG-CE 3.57Å
504Y86.9Confident68.3Low46 Ų4676.3 Ų76.318%0.1840%0.395CS..BIsolated β-bridgetrans-70.8133.1172.6165.9-108.6000109P398 V399 M432 A433 P506 Y508P398-Y504 CarbonylContact C-O 3.49Å; P398-Y504 WeakPolarHBondContact CA-O 3.5Å; V399-Y504 HydrophobicContact CG2-CD1 3.58Å; V399-Y504 HydrophobicContact CG2-CE1 4.07Å; V399-Y504 PolarHBondContact N-O 2.75Å; M432-Y504 HydrophobicContact CB-CD2 3.67Å; M432-Y504 HydrophobicContact CB-CE2 3.85Å; M432-Y504 HydrophobicContact CB-CG 4.3Å; M432-Y504 HydrophobicContact CG-CE2 4.47Å; A433-Y504 HydrophobicContact CB-CD1 3.85Å; A433-Y504 HydrophobicContact CB-CG 4.27Å; Y504-P506 HydrophobicContact CE1-CB 3.9Å; Y504-P506 HydrophobicContact CE1-CG 4.49Å; Y504-Y508 WeakPolarHBondContact OH-CE1 3.44Å; Y504-Y508 PolarHBondContact OH-OH 3.08Å
505V88.8Confident71.2Confident70 Ų7074.9 Ų74.942%0.42439%0.387SS..  trans-116112.4177.2-177.60000107.8N396 P398N396-V505 VanDerWaalsContact CA-CG1 3.49Å; P398-V505 HydrophobicContact CB-CG2 4.03Å
506P90.1Very high73.7Confident0 Ų067.4 Ų67.40%035%0.347CS..  trans-74.4141.6176.932.5-31.2000110.2Y393 N396 K397 V399 Y504 Y508Y393-P506 HydrophobicContact CD1-CG 4.07Å; N396-P506 PolarHBondContact N-O 3.03Å; K397-P506 WeakPolarHBondContact O-CD 3.26Å; V399-P506 HydrophobicContact CG2-CG 4.2Å; Y504-P506 HydrophobicContact CE1-CB 3.9Å; Y504-P506 HydrophobicContact CE1-CG 4.49Å; P506-Y508 VanDerWaalsContact C-N 3.26Å; P506-Y508 HydrophobicContact CB-CD1 4.26Å; P506-Y508 HydrophobicContact CB-CD2 4.24Å; P506-Y508 HydrophobicContact CB-CE1 3.93Å; P506-Y508 HydrophobicContact CB-CE2 3.93Å; P506-Y508 HydrophobicContact CB-CG 4.39Å
507D90.1Very high76.4Confident90 Ų9063 Ų6348%0.48132%0.323SS..SBendtrans-88.76.6174.266.2-35.8000112.9R395R395-D507 WeakPolarHBondContact CD-O 3.33Å; R395-D507 PolarHBondContact NE-O 2.85Å
508Y93.2Very high79.3Confident28 Ų2858.2 Ų58.211%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-127157.7-179.354.5-96.9000112.6Y393 R395 E413 Y429 G430 Y504 P506 V510Y393-Y508 HydrophobicContact CD2-CE2 4.33Å; Y393-Y508 HydrophobicContact CG-CE2 4.18Å; R395-Y508 WeakPolarHBondContact CA-O 3.28Å; R395-Y508 PolarHBondContact N-O 2.97Å; E413-Y508 CarbonylContact O-C 3.57Å; E413-Y508 WeakPolarHBondContact O-CA 3.42Å; E413-Y508 WeakPolarHBondContact O-CB 3.5Å; Y429-Y508 AromaticContact CD1-CE2 3.93Å; Y429-Y508 HydrophobicContact CD1-CE2 3.93Å; Y429-Y508 HydrophobicContact CG-CE2 4.43Å; G430-Y508 PolarHBondContact N-OH 3Å; Y504-Y508 WeakPolarHBondContact OH-CE1 3.44Å; Y504-Y508 PolarHBondContact OH-OH 3.08Å; P506-Y508 VanDerWaalsContact C-N 3.26Å; P506-Y508 HydrophobicContact CB-CD1 4.26Å; P506-Y508 HydrophobicContact CB-CD2 4.24Å; P506-Y508 HydrophobicContact CB-CE1 3.93Å; P506-Y508 HydrophobicContact CB-CE2 3.93Å; P506-Y508 HydrophobicContact CB-CG 4.39Å; Y508-V510 HydrophobicContact CD2-CG2 3.69Å; Y508-V510 HydrophobicContact CE2-CG2 3.91Å
509S92.8Very high82.2Confident14 Ų1452.3 Ų52.310%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-110.1138.4167.3-59.40000109.7Y393 R395 V412 E413Y393-S509 CarbonylContact O-C 3.58Å; Y393-S509 VanDerWaalsContact O-CA 3.3Å; Y393-S509 WeakPolarHBondContact O-CA 3.34Å; R395-S509 VanDerWaalsContact CB-OG 3.26Å; R395-S509 WeakPolarHBondContact CB-OG 3.49Å; R395-S509 PolarHBondContact N-OG 2.89Å; V412-S509 WeakPolarHBondContact CA-O 3.38Å; E413-S509 PolarHBondContact N-O 3.11Å; E413-S509 PolarHBondContact O-N 2.94Å
510V94.8Very high84.8Confident0 Ų051 Ų510%025%0.25CC..EExtended strand (participates in β ladder)trans-120.1124.9176-1760000108.5Y391 L392 Y393 V410 V412 Y429 Y508Y391-V510 CarbonylContact C-O 3.55Å; Y391-V510 WeakPolarHBondContact CA-O 3.46Å; L392-V510 HydrophobicContact CB-CB 4.22Å; L392-V510 HydrophobicContact CB-CG1 4.24Å; L392-V510 HydrophobicContact CD1-CG1 4.13Å; L392-V510 PolarHBondContact N-O 2.66Å; Y393-V510 HydrophobicContact CD2-CB 4.2Å; Y393-V510 HydrophobicContact CD2-CG2 3.97Å; Y393-V510 HydrophobicContact CG-CG2 4.49Å; Y393-V510 PolarHBondContact N-O 3.44Å; Y393-V510 PolarHBondContact O-N 2.89Å; V410-V510 HydrophobicContact CB-CG1 3.8Å; V410-V510 HydrophobicContact CG1-CG1 4.11Å; V410-V510 HydrophobicContact CG2-CG1 3.97Å; V412-V510 HydrophobicContact CG1-CG2 4.37Å; V412-V510 HydrophobicContact CG2-CG1 4.43Å; V412-V510 HydrophobicContact CG2-CG2 4.28Å; Y429-V510 HydrophobicContact CD1-CG2 3.8Å; Y429-V510 HydrophobicContact CD2-CG2 4.41Å; Y429-V510 HydrophobicContact CE1-CG2 3.91Å; Y429-V510 HydrophobicContact CE2-CG1 4.22Å; Y429-V510 HydrophobicContact CG-CG2 4.06Å; Y508-V510 HydrophobicContact CD2-CG2 3.69Å; Y508-V510 HydrophobicContact CE2-CG2 3.91Å
511R93.3Very high87.5Confident13 Ų1344.9 Ų44.95%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-126.9140-176.8-175.2178.965.6120.4-10.6111.7K385 H390 Y391 V410 E411K385-R511 PolarHBondContact O-NH1 3.5Å; H390-R511 HydrophobicContact CB-CG 4.32Å; H390-R511 CarbonylContact O-C 3.59Å; H390-R511 WeakPolarHBondContact O-CA 3.46Å; Y391-R511 HydrophobicContact CD1-CB 4.05Å; Y391-R511 HydrophobicContact CD1-CG 4.44Å; Y391-R511 HydrophobicContact CD2-CG 4.36Å; Y391-R511 HydrophobicContact CE1-CB 3.99Å; Y391-R511 HydrophobicContact CE1-CG 4.31Å; Y391-R511 HydrophobicContact CE2-CG 4.23Å; Y391-R511 HydrophobicContact CG-CB 4.47Å; Y391-R511 HydrophobicContact CG-CG 4.47Å; V410-R511 CarbonylContact C-O 3.58Å; V410-R511 VanDerWaalsContact CA-O 3.24Å; V410-R511 WeakPolarHBondContact CA-O 3.24Å; E411-R511 PolarHBondContact N-O 3.05Å; E411-R511 PolarHBondContact O-N 3.21Å; E411-R511 IonicContact OE2-CZ 2.92Å; E411-R511 IonicContact OE2-NE 3.5Å; E411-R511 PolarHBondContact OE2-NE 3.44Å; E411-R511 IonicContact OE2-NH2 3.5Å; E411-R511 PolarHBondContact OE2-NH2 2.92Å
512A93.3Very high89.7Confident0 Ų040.6 Ų40.60%020%0.197CC..EExtended strand (participates in β ladder)trans-65.3137.4172.300000112.4L378 Y380 H390 L516L378-A512 HydrophobicContact CD2-CB 3.64Å; Y380-A512 HydrophobicContact CD2-CB 4.17Å; Y380-A512 WeakPolarHBondContact CE2-O 3.21Å; H390-A512 HydrophobicContact CB-CB 4.37Å; H390-A512 PolarHBondContact O-N 2.83Å; A512-L516 HydrophobicContact CB-CD1 3.53Å; A512-L516 HydrophobicContact CB-CG 3.9Å
513R90.5Very high91.1Very high102 Ų10238.9 Ų38.939%0.38519%0.187SC..SBendtrans-116.1-16.2171.6-73.3-63.3-159.1154.84.4113.1K409 E411K409-R513 HydrophobicContact CB-CB 4.31Å; K409-R513 WeakPolarHBondContact O-CB 3.43Å; K409-R513 PolarHBondContact O-N 2.92Å; E411-R513 HydrophobicContact CB-CG 3.81Å; E411-R513 VanDerWaalsContact CD-NH2 3.29Å; E411-R513 IonicContact OE1-CZ 2.88Å; E411-R513 IonicContact OE1-NE 3.51Å; E411-R513 IonicContact OE1-NH2 3.67Å; E411-R513 PolarHBondContact OE1-NH2 3.35Å; E411-R513 IonicContact OE2-CZ 3.87Å; E411-R513 IonicContact OE2-NE 3.18Å; E411-R513 PolarHBondContact OE2-NE 3.41Å; E411-R513 IonicContact OE2-NH2 2.73Å; E411-R513 PolarHBondContact OE2-NH2 2.81Å
514S92.2Very high92.1Very high34 Ų3441.2 Ų41.224%0.23820%0.197CC..SBendtrans-140177.3173.368.90000108.9G408 K409 L516G408-S514 VanDerWaalsContact CA-OG 3.26Å; G408-S514 WeakPolarHBondContact CA-OG 3.44Å; K409-S514 PolarHBondContact N-OG 3.03Å; S514-L516 WeakPolarHBondContact O-CG 3.49Å; S514-L516 PolarHBondContact O-N 3.41Å
515D92.1Very high92.3Very high96 Ų9641 Ų4151%0.51320%0.198SC..  trans-52.4133.4163.1-63-22.9000109.1L378 K379 Y380 G408L378-D515 WeakPolarHBondContact O-CA 3.38Å; K379-D515 WeakPolarHBondContact CA-OD1 3.23Å; Y380-D515 PolarHBondContact N-OD1 3.5Å; G408-D515 WeakPolarHBondContact CA-O 3.25Å
516L92.4Very high92.4Very high1 Ų138.1 Ų38.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-117.5139.2-178-60.1-175.6000110.2E377 L378 L392 Q407 K409 V410 A512 S514 Y518E377-L516 CarbonylContact C-O 3.59Å; E377-L516 VanDerWaalsContact CA-O 3.3Å; E377-L516 WeakPolarHBondContact CA-O 3.27Å; L378-L516 HydrophobicContact CB-CB 4.33Å; L378-L516 PolarHBondContact N-O 2.9Å; L378-L516 PolarHBondContact O-N 3.37Å; L392-L516 HydrophobicContact CD1-CD1 3.78Å; L392-L516 HydrophobicContact CG-CD1 4.33Å; Q407-L516 WeakPolarHBondContact O-CA 3.34Å; K409-L516 WeakPolarHBondContact O-CD2 3.46Å; V410-L516 HydrophobicContact CG1-CD1 3.62Å; V410-L516 HydrophobicContact CG1-CD2 3.87Å; V410-L516 HydrophobicContact CG1-CG 4.42Å; A512-L516 HydrophobicContact CB-CD1 3.53Å; A512-L516 HydrophobicContact CB-CG 3.9Å; S514-L516 WeakPolarHBondContact O-CG 3.49Å; S514-L516 PolarHBondContact O-N 3.41Å; L516-Y518 HydrophobicContact CB-CD1 4.04Å
517R93Very high92.4Very high74 Ų7442.3 Ų42.328%0.27920%0.198SC..EExtended strand (participates in β ladder)trans-117.7131.2156.7-63.5-173.6-172.5155.4-9.1108.4Q376 E377 L406 Q407Q376-R517 WeakPolarHBondContact O-CA 3.38Å; E377-R517 HydrophobicContact CB-CG 4.31Å; E377-R517 HydrophobicContact CG-CG 4.08Å; E377-R517 IonicContact OE1-CZ 3.48Å; E377-R517 IonicContact OE1-NE 2.66Å; E377-R517 PolarHBondContact OE1-NE 2.98Å; E377-R517 IonicContact OE1-NH2 3.44Å; E377-R517 PolarHBondContact OE1-NH2 3.2Å; L406-R517 WeakPolarHBondContact CA-O 3.39Å; L406-R517 WeakPolarHBondContact CB-O 3.46Å; L406-R517 PolarHBondContact N-O 3.41Å; Q407-R517 HydrophobicContact CB-CB 4.22Å; Q407-R517 PolarHBondContact N-O 2.8Å; Q407-R517 PolarHBondContact O-N 2.91Å
518Y93.9Very high92.4Very high18 Ų1842.1 Ų42.17%0.07120%0.197CC..EExtended strand (participates in β ladder)trans-149.1156.7-17562.1-89.3000111.2Q376 L378 L392 I403 L404 L516 K520Q376-Y518 HydrophobicContact CB-CD2 4.49Å; Q376-Y518 HydrophobicContact CB-CE1 4.26Å; Q376-Y518 HydrophobicContact CB-CE2 3.89Å; Q376-Y518 HydrophobicContact CG-CE2 4.46Å; Q376-Y518 PolarHBondContact N-O 3.37Å; Q376-Y518 PolarHBondContact O-N 3.08Å; Q376-Y518 PolarHBondContact OE1-OH 2.99Å; L378-Y518 HydrophobicContact CB-CE1 3.93Å; L392-Y518 HydrophobicContact CD2-CD1 4.38Å; L392-Y518 HydrophobicContact CD2-CE1 3.83Å; L392-Y518 HydrophobicContact CD2-CE2 4.32Å; I403-Y518 HydrophobicContact CD1-CD2 4.39Å; I403-Y518 HydrophobicContact CD1-CE2 4.32Å; I403-Y518 HydrophobicContact CG1-CD2 4.41Å; I403-Y518 HydrophobicContact CG2-CD2 3.83Å; I403-Y518 HydrophobicContact CG2-CG 4.16Å; L404-Y518 CarbonylContact O-C 3.58Å; L404-Y518 VanDerWaalsContact O-CA 3.23Å; L404-Y518 WeakPolarHBondContact O-CA 3.19Å; L404-Y518 VanDerWaalsContact O-CB 3.27Å; L404-Y518 WeakPolarHBondContact O-CB 3.29Å; L516-Y518 HydrophobicContact CB-CD1 4.04Å; Y518-K520 HydrophobicContact CD2-CB 4.17Å; Y518-K520 HydrophobicContact CE2-CB 3.93Å; Y518-K520 HydrophobicContact CE2-CD 4.45Å
519I94.4Very high92.2Very high1 Ų141.1 Ų41.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-91.4129.8170-71.2159.4000107.4A344 L348 L369 V374 I375 I403 L404 L406 V521A344-I519 HydrophobicContact CB-CD1 4.02Å; L348-I519 HydrophobicContact CD1-CD1 4.4Å; L369-I519 HydrophobicContact CD2-CD1 3.72Å; L369-I519 HydrophobicContact CD2-CG1 4.14Å; L369-I519 HydrophobicContact CD2-CG2 3.97Å; V374-I519 HydrophobicContact CG1-CG2 3.89Å; V374-I519 CarbonylContact O-C 3.59Å; I375-I519 HydrophobicContact CG1-CG1 4.07Å; I403-I519 CarbonylContact C-O 3.5Å; I403-I519 WeakPolarHBondContact CA-O 3.49Å; L404-I519 HydrophobicContact CB-CB 4.27Å; L404-I519 HydrophobicContact CD2-CD1 4.04Å; L404-I519 PolarHBondContact N-O 3.19Å; L404-I519 PolarHBondContact O-N 3.24Å; L406-I519 HydrophobicContact CD1-CD1 3.92Å; L406-I519 HydrophobicContact CD1-CG1 3.81Å; L406-I519 HydrophobicContact CD2-CD1 3.75Å; L406-I519 HydrophobicContact CD2-CG1 4.38Å; L406-I519 HydrophobicContact CG-CD1 4.05Å; L406-I519 HydrophobicContact CG-CG1 4.13Å; I519-V521 HydrophobicContact CG2-CG2 3.74Å
520K94.7Very high92Very high54 Ų5441 Ų4124%0.23519%0.194CC..EExtended strand (participates in β ladder)trans-121113.2172.2-174.9178-179175.60109.4V374 Y401 F402 I403 Y518V374-K520 WeakPolarHBondContact CA-O 3.44Å; V374-K520 PolarHBondContact O-N 2.94Å; Y401-K520 HydrophobicContact CD2-CD 4.4Å; Y401-K520 HydrophobicContact CD2-CG 4.24Å; Y401-K520 HydrophobicContact CG-CD 4.43Å; Y401-K520 HydrophobicContact CG-CG 4.29Å; F402-K520 WeakPolarHBondContact O-CA 3.49Å; I403-K520 HydrophobicContact CG1-CB 4.44Å; I403-K520 HydrophobicContact CG1-CG 4.27Å; Y518-K520 HydrophobicContact CD2-CB 4.17Å; Y518-K520 HydrophobicContact CE2-CB 3.93Å; Y518-K520 HydrophobicContact CE2-CD 4.45Å
521V94.1Very high91.6Very high1 Ų145.7 Ų45.71%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-112.5120.2178.5178.80000108.7L368 V374 Y401 F402 L434 I519 Q525L368-V521 HydrophobicContact CD1-CG1 4.44Å; L368-V521 HydrophobicContact CD2-CG1 4.2Å; L368-V521 HydrophobicContact CD2-CG2 4.48Å; V374-V521 HydrophobicContact CG1-CG2 4.08Å; Y401-V521 CarbonylContact C-O 3.51Å; Y401-V521 VanDerWaalsContact CA-O 3.28Å; Y401-V521 WeakPolarHBondContact CA-O 3.06Å; F402-V521 HydrophobicContact CD1-CB 4.32Å; F402-V521 HydrophobicContact CD1-CG2 4.47Å; F402-V521 PolarHBondContact N-O 2.96Å; F402-V521 PolarHBondContact O-N 3.18Å; L434-V521 HydrophobicContact CD2-CG1 4.33Å; I519-V521 HydrophobicContact CG2-CG2 3.74Å; V521-Q525 HydrophobicContact CG1-CB 4.27Å
522T93.3Very high91.4Very high34 Ų3447 Ų4721%0.20923%0.231CC..EExtended strand (participates in β ladder)trans-78.9155.1173.971.60000110.9Q524 Q525 Y526T522-Q524 PolarHBondContact O-N 3.11Å; T522-Q525 PolarHBondContact O-N 3.2Å; T522-Q525 VanDerWaalsContact O-N 3.08Å; T522-Q525 VanDerWaalsContact OG1-CG 3.32Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.34Å; T522-Q525 PolarHBondContact OG1-N 3.44Å; T522-Q525 PolarHBondContact OG1-OE1 2.8Å; T522-Y526 PolarHBondContact O-N 3.37Å
523R90.1Very high91.1Very high48 Ų4847.1 Ų47.118%0.18123%0.231CC..Hα-helixtrans-52.4-40.1174-179.3-178.4-66.1-170.62.1111.7D400 A433 H502 Y526 H527D400-R523 WeakPolarHBondContact O-CB 3.32Å; D400-R523 PolarHBondContact O-N 2.96Å; A433-R523 VanDerWaalsContact O-CZ 3.29Å; A433-R523 PolarHBondContact O-NE 2.9Å; A433-R523 PolarHBondContact O-NH2 3.36Å; H502-R523 PolarHBondContact O-NH1 3.42Å; H502-R523 PolarHBondContact O-NH2 3.1Å; R523-Y526 PolarHBondContact O-N 2.84Å; R523-H527 PolarHBondContact O-CD2 2.87Å; R523-H527 PolarHBondContact O-N 3.32Å
524Q89.4Confident90.8Very high142 Ų14250.6 Ų50.666%0.66424%0.244SC*.Hα-helixtrans-63.5-46.7177.6-172.1-178.28.800112.1T522 Y526 H527 N528T522-Q524 PolarHBondContact O-N 3.11Å; Q524-Y526 VanDerWaalsContact C-N 3.32Å; Q524-Y526 PolarHBondContact O-N 2.9Å; Q524-H527 PolarHBondContact O-N 3.15Å; Q524-N528 WeakPolarHBondContact O-CB 3.36Å; Q524-N528 PolarHBondContact O-N 3.3Å; Q524-N528 PolarHBondContact O-ND2 2.72Å; Q524-N528 PolarHBondContact O-OD1 3.32Å
525Q91.5Very high90.3Very high42 Ų4255.5 Ų55.520%0.19627%0.265CS..Hα-helixtrans-61.7-42177.8-72.7168.4-26.300111.5L368 V521 T522 N528 A529L368-Q525 HydrophobicContact CD1-CB 3.92Å; V521-Q525 HydrophobicContact CG1-CB 4.27Å; T522-Q525 PolarHBondContact O-N 3.2Å; T522-Q525 VanDerWaalsContact O-N 3.08Å; T522-Q525 VanDerWaalsContact OG1-CG 3.32Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.34Å; T522-Q525 PolarHBondContact OG1-N 3.44Å; T522-Q525 PolarHBondContact OG1-OE1 2.8Å; Q525-N528 PolarHBondContact O-N 2.81Å; Q525-A529 WeakPolarHBondContact O-CB 3.27Å; Q525-A529 PolarHBondContact O-N 3.43Å
526Y91.5Very high89.4Confident8 Ų855.9 Ų55.93%0.03127%0.267CS..Hα-helixtrans-61.8-50.3176.7175.4-102.7000112.3P354 F355 Q359 M360 L434 T522 R523 Q524 N528 A529 V530P354-Y526 WeakPolarHBondContact CA-OH 3.46Å; P354-Y526 HydrophobicContact CB-CE2 3.85Å; P354-Y526 WeakPolarHBondContact CB-OH 3.3Å; P354-Y526 WeakPolarHBondContact O-CE2 3.37Å; P354-Y526 PolarHBondContact O-OH 3.46Å; F355-Y526 HydrophobicContact CD1-CD2 4.45Å; F355-Y526 HydrophobicContact CD1-CE2 4.34Å; F355-Y526 AromaticContact CE1-CD2 3.88Å; F355-Y526 HydrophobicContact CE1-CD2 3.88Å; F355-Y526 HydrophobicContact CE1-CE2 4.18Å; F355-Y526 HydrophobicContact CZ-CD2 4.3Å; Q359-Y526 PolarHBondContact OE1-OH 3.48Å; Q359-Y526 VanDerWaalsContact OE1-OH 3.11Å; M360-Y526 HydrophobicContact CE-CD2 3.77Å; M360-Y526 HydrophobicContact CE-CE2 3.78Å; L434-Y526 HydrophobicContact CB-CD1 4.01Å; L434-Y526 HydrophobicContact CB-CE1 4.35Å; L434-Y526 HydrophobicContact CB-CG 4.17Å; L434-Y526 HydrophobicContact CD1-CD2 4.14Å; L434-Y526 HydrophobicContact CD1-CG 4.29Å; L434-Y526 HydrophobicContact CD2-CG 4.29Å; L434-Y526 HydrophobicContact CG-CG 4.49Å; T522-Y526 PolarHBondContact O-N 3.37Å; R523-Y526 PolarHBondContact O-N 2.84Å; Q524-Y526 VanDerWaalsContact C-N 3.32Å; Q524-Y526 PolarHBondContact O-N 2.9Å; Y526-N528 VanDerWaalsContact C-N 3.31Å; Y526-N528 PolarHBondContact O-N 3.46Å; Y526-A529 WeakPolarHBondContact O-CB 3.05Å; Y526-A529 PolarHBondContact O-N 2.93Å; Y526-A529 VanDerWaalsContact O-N 3.13Å; Y526-V530 HydrophobicContact CD1-CG2 4.3Å; Y526-V530 HydrophobicContact CD2-CG2 4.36Å; Y526-V530 HydrophobicContact CE1-CG2 3.83Å; Y526-V530 HydrophobicContact CE2-CG2 3.88Å; Y526-V530 WeakPolarHBondContact O-CG2 3.37Å; Y526-V530 PolarHBondContact O-N 3Å
527H89.6Confident88.2Confident88 Ų8861.3 Ų61.341%0.40729%0.291SS..Hα-helixtrans-62.9-37.7178.4-75-56.7000112.8R523 Q524 A529 V530 M531R523-H527 PolarHBondContact O-CD2 2.87Å; R523-H527 PolarHBondContact O-N 3.32Å; Q524-H527 PolarHBondContact O-N 3.15Å; H527-A529 VanDerWaalsContact C-N 3.32Å; H527-A529 PolarHBondContact O-N 3.3Å; H527-V530 PolarHBondContact O-N 2.73Å; H527-M531 WeakPolarHBondContact O-CB 3.26Å; H527-M531 WeakPolarHBondContact O-CG 3.3Å; H527-M531 PolarHBondContact O-N 2.85Å
528N90.2Very high86Confident86 Ų8662 Ų6246%0.4630%0.303SS..Hα-helixtrans-61.2-42.5174.1-70.4-9.3000111.4Q524 Q525 Y526 M531 A532Q524-N528 WeakPolarHBondContact O-CB 3.36Å; Q524-N528 PolarHBondContact O-N 3.3Å; Q524-N528 PolarHBondContact O-ND2 2.72Å; Q524-N528 PolarHBondContact O-OD1 3.32Å; Q525-N528 PolarHBondContact O-N 2.81Å; Y526-N528 VanDerWaalsContact C-N 3.31Å; Y526-N528 PolarHBondContact O-N 3.46Å; N528-M531 PolarHBondContact O-N 2.93Å; N528-A532 WeakPolarHBondContact O-CB 3.42Å; N528-A532 PolarHBondContact O-N 2.66Å
529A89.4Confident83.5Confident8 Ų867.2 Ų67.27%0.06634%0.34CS..Hα-helixtrans-66.2-42.1176.500000112.4M360 I364 L368 Q525 Y526 H527 M531 A532 S533M360-A529 HydrophobicContact CE-CB 3.5Å; M360-A529 HydrophobicContact SD-CB 3.95Å; I364-A529 HydrophobicContact CG2-CB 3.93Å; I364-A529 WeakPolarHBondContact CG2-O 3.35Å; L368-A529 HydrophobicContact CB-CB 4.48Å; L368-A529 HydrophobicContact CD2-CB 4.12Å; Q525-A529 WeakPolarHBondContact O-CB 3.27Å; Q525-A529 PolarHBondContact O-N 3.43Å; Y526-A529 WeakPolarHBondContact O-CB 3.05Å; Y526-A529 PolarHBondContact O-N 2.93Å; Y526-A529 VanDerWaalsContact O-N 3.13Å; H527-A529 VanDerWaalsContact C-N 3.32Å; H527-A529 PolarHBondContact O-N 3.3Å; A529-M531 PolarHBondContact O-N 2.97Å; A529-A532 PolarHBondContact O-N 3.36Å; A529-S533 PolarHBondContact O-N 3.01Å
530V88.2Confident80.9Confident11 Ų1175.5 Ų75.57%0.06738%0.378CS..Hα-helixtrans-63.5-42175.1173.60000111.2M360 Y526 H527 S533 R534M360-V530 HydrophobicContact CE-CG2 4.03Å; Y526-V530 HydrophobicContact CD1-CG2 4.3Å; Y526-V530 HydrophobicContact CD2-CG2 4.36Å; Y526-V530 HydrophobicContact CE1-CG2 3.83Å; Y526-V530 HydrophobicContact CE2-CG2 3.88Å; Y526-V530 WeakPolarHBondContact O-CG2 3.37Å; Y526-V530 PolarHBondContact O-N 3Å; H527-V530 PolarHBondContact O-N 2.73Å; V530-S533 PolarHBondContact O-N 3.31Å; V530-R534 WeakPolarHBondContact O-CG 2.82Å; V530-R534 PolarHBondContact O-N 2.66Å
531M87.3Confident78Confident98 Ų9877 Ų7748%0.48340%0.395SS..Hα-helixtrans-62.1-46.1175.3-75.5-167.7-7700111.6H527 N528 A529 S533 R534 M535H527-M531 WeakPolarHBondContact O-CB 3.26Å; H527-M531 WeakPolarHBondContact O-CG 3.3Å; H527-M531 PolarHBondContact O-N 2.85Å; N528-M531 PolarHBondContact O-N 2.93Å; A529-M531 PolarHBondContact O-N 2.97Å; M531-S533 VanDerWaalsContact C-N 3.26Å; M531-S533 PolarHBondContact O-N 2.91Å; M531-R534 PolarHBondContact O-N 3.14Å; M531-R534 VanDerWaalsContact O-N 3.15Å; M531-M535 WeakPolarHBondContact O-CG 3.17Å; M531-M535 PolarHBondContact O-N 3.3Å; M531-M535 VanDerWaalsContact O-N 3.13Å
532A87.4Confident75.3Confident42 Ų4282.5 Ų82.535%0.34743%0.429SS..Hα-helixtrans-58.5-39.2174.500000111.7I364 N528 A529 R534 M535 D536I364-A532 HydrophobicContact CD1-CB 4.18Å; I364-A532 HydrophobicContact CG2-CB 4.36Å; N528-A532 WeakPolarHBondContact O-CB 3.42Å; N528-A532 PolarHBondContact O-N 2.66Å; A529-A532 PolarHBondContact O-N 3.36Å; A532-R534 VanDerWaalsContact C-N 3.32Å; A532-R534 PolarHBondContact O-N 2.84Å; A532-M535 PolarHBondContact O-N 2.97Å; A532-D536 PolarHBondContact O-N 2.97Å
533S87.1Confident72.5Confident1 Ų186.4 Ų86.41%0.00745%0.449CS..Hα-helixtrans-71-25.5179-1690000114.2S361 I364 A529 V530 M531 K537S361-S533 PolarHBondContact N-OG 2.67Å; I364-S533 VanDerWaalsContact CD1-N 3.32Å; A529-S533 PolarHBondContact O-N 3.01Å; V530-S533 PolarHBondContact O-N 3.31Å; M531-S533 VanDerWaalsContact C-N 3.26Å; M531-S533 PolarHBondContact O-N 2.91Å; S533-K537 VanDerWaalsContact O-CG 3.3Å; S533-K537 WeakPolarHBondContact O-CG 3.41Å; S533-K537 PolarHBondContact O-N 3.25Å
534R85Confident69.7Low175 Ų17586.5 Ų86.566%0.6646%0.457SS*.Hα-helixtrans-74.3-36.9171.9-69.2175.5-174.7-172.20.9111.2V530 M531 A532 K537V530-R534 WeakPolarHBondContact O-CG 2.82Å; V530-R534 PolarHBondContact O-N 2.66Å; M531-R534 PolarHBondContact O-N 3.14Å; M531-R534 VanDerWaalsContact O-N 3.15Å; A532-R534 VanDerWaalsContact C-N 3.32Å; A532-R534 PolarHBondContact O-N 2.84Å; R534-K537 PolarHBondContact O-N 2.98Å
535M80.9Confident67.1Low138 Ų13886.5 Ų86.568%0.6846%0.457SS*.Hα-helixtrans-68-34.3175.4-66.2175.8177.900112.5M531 A532 K537 T538M531-M535 WeakPolarHBondContact O-CG 3.17Å; M531-M535 PolarHBondContact O-N 3.3Å; M531-M535 VanDerWaalsContact O-N 3.13Å; A532-M535 PolarHBondContact O-N 2.97Å; M535-K537 VanDerWaalsContact C-N 3.29Å; M535-K537 PolarHBondContact O-N 3.24Å; M535-T538 PolarHBondContact O-OG1 2.89Å
536D74Confident64.5Low103 Ų10390.2 Ų90.255%0.55148%0.478SS*.Hα-helixtrans-72.4-21.3176.7-155.845.1000112.8I364 A532I364-D536 HydrophobicContact CD1-CB 4.1Å; A532-D536 PolarHBondContact O-N 2.97Å
537K66.6Low61.8Low115 Ų11593.7 Ų93.750%0.550%0.5SS..THydrogen-bonded Turntrans-88.1-11.5179.5-74.7177.2-178.5-176.20113.8P357 T358 S533 R534 M535P357-K537 PolarHBondContact O-NZ 3.15Å; P357-K537 VanDerWaalsContact O-NZ 3.1Å; T358-K537 PolarHBondContact O-NZ 3.1Å; S533-K537 VanDerWaalsContact O-CG 3.3Å; S533-K537 WeakPolarHBondContact O-CG 3.41Å; S533-K537 PolarHBondContact O-N 3.25Å; R534-K537 PolarHBondContact O-N 2.98Å; M535-K537 VanDerWaalsContact C-N 3.29Å; M535-K537 PolarHBondContact O-N 3.24Å
538T47.8Very low59.3Low89 Ų8997.1 Ų97.155%0.54651%0.513SS..SBendtrans-83.212817647.50000110.3M535 Q540M535-T538 PolarHBondContact O-OG1 2.89Å; T538-Q540 PolarHBondContact O-N 2.99Å
539P42Very low57Low128 Ų12898.1 Ų98.183%0.83152%0.518SS*.PPolyproline II helixtrans-61.2123.217823.5-30.5000109.6S541P539-S541 PolarHBondContact O-N 3.46Å
540Q38.2Very low54.3Low174 Ų174104.7 Ų104.781%0.81355%0.547SS*.PPolyproline II helixtrans-62.4121.3171.4-78.2179.1-18.900108.4T538T538-Q540 PolarHBondContact O-N 2.99Å
541S35.4Very low51.8Low85 Ų85109.5 Ų109.559%0.59457%0.572SS**PPolyproline II helixtrans-65.7149.6171.850.30000110.5P539 D543 S544P539-S541 PolarHBondContact O-N 3.46Å; S541-D543 PolarHBondContact O-N 2.85Å; S541-S544 PolarHBondContact O-N 3.01Å; S541-S544 PolarHBondContact O-OG 2.85Å
542T36.4Very low49.4Very low118 Ų118108.6 Ų108.672%0.72457%0.572SS**THydrogen-bonded Turntrans-58.6-5.1-174.644.60000115.8S544T542-S544 VanDerWaalsContact C-N 3.34Å
543D34.5Very low47Very low115 Ų115112.8 Ų112.862%0.61559%0.588SS**Hα-helixtrans-77.2-18.4176-80.5-20.1000113.6S541 T547S541-D543 PolarHBondContact O-N 2.85Å; D543-T547 PolarHBondContact O-OG1 2.87Å
544S31.6Very low44.5Very low51 Ų51117.3 Ų117.336%0.35762%0.615SS.*Hα-helixtrans-78.8-16.7-178.564.30000114.5S541 T542 K548S541-S544 PolarHBondContact O-N 3.01Å; S541-S544 PolarHBondContact O-OG 2.85Å; T542-S544 VanDerWaalsContact C-N 3.34Å; S544-K548 PolarHBondContact O-N 3.34Å
545E35.6Very low42.1Very low142 Ų142116.8 Ų116.866%0.66462%0.621SS**Hα-helixtrans-76.1-33174.3-73-168.5146.700112K548 I549E545-K548 PolarHBondContact O-N 2.95Å; E545-I549 WeakPolarHBondContact O-CG1 3.43Å; E545-I549 PolarHBondContact O-N 3.31Å
546L35.8Very low39.8Very low120 Ų120119 Ų11963%0.62863%0.627SS**Hα-helixtrans-68.1-40.8176.6-84.4150.6000112K548 I549 E550L546-K548 VanDerWaalsContact C-N 3.29Å; L546-K548 PolarHBondContact O-N 2.85Å; L546-I549 PolarHBondContact O-N 2.87Å; L546-E550 PolarHBondContact O-N 3.4Å
547T35.9Very low37.7Very low81 Ų81122.1 Ų122.150%0.49764%0.638SS.*Hα-helixtrans-69.2-29.4178.7-19.60000112.3D543 L551D543-T547 PolarHBondContact O-OG1 2.87Å; T547-L551 PolarHBondContact O-N 3.29Å
548K35.1Very low36Very low159 Ų159124.4 Ų124.469%0.69166%0.655SS**Hα-helixtrans-73.6-34.6177.7-149.2173.8-171.91800111.7S544 E545 L546 T552S544-K548 PolarHBondContact O-N 3.34Å; E545-K548 PolarHBondContact O-N 2.95Å; L546-K548 VanDerWaalsContact C-N 3.29Å; L546-K548 PolarHBondContact O-N 2.85Å; K548-T552 PolarHBondContact O-N 3.5Å; K548-T552 PolarHBondContact O-OG1 3.27Å
549I42.5Very low35.3Very low108 Ų108123.4 Ų123.455%0.55466%0.663SS**Hα-helixtrans-70.3-37.9175.7-66.6165.8000110.9E545 L546 T552 L553E545-I549 WeakPolarHBondContact O-CG1 3.43Å; E545-I549 PolarHBondContact O-N 3.31Å; L546-I549 PolarHBondContact O-N 2.87Å; I549-T552 PolarHBondContact O-N 3.43Å; I549-L553 PolarHBondContact O-N 3.04Å
550E34.1Very low34.6Very low145 Ų145124.3 Ų124.368%0.67867%0.666SS**Hα-helixtrans-72.7-32.4-178-156.1166.7-164.900113.5L546 T554L546-E550 PolarHBondContact O-N 3.4Å; E550-T554 PolarHBondContact O-OG1 3.48Å
551L34.8Very low34.1Very low112 Ų112120.4 Ų120.459%0.58666%0.663SS**Hα-helixtrans-74.5-30.4173-82.9156.4000113.3T547 L553 T554T547-L551 PolarHBondContact O-N 3.29Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-T554 PolarHBondContact O-OG1 3.13Å
552T37.5Very low33.7Very low80 Ų80123.9 Ų123.949%0.49168%0.675SS.*Hα-helixtrans-76.5-23.9178.6-39.20000111.9K548 I549K548-T552 PolarHBondContact O-N 3.5Å; K548-T552 PolarHBondContact O-OG1 3.27Å; I549-T552 PolarHBondContact O-N 3.43Å
553L36.3Very low33.2Very low129 Ų129126.5 Ų126.568%0.67568%0.679SS**Hα-helixtrans-82.9-17.9178.3-120.9138.1000113.4I549 L551I549-L553 PolarHBondContact O-N 3.04Å; L551-L553 VanDerWaalsContact C-N 3.33Å
554T34.9Very low32.8Very low96 Ų96127.1 Ų127.159%0.58969%0.687SS**Hα-helixtrans-87.9-24176.223.80000113.1E550 L551E550-T554 PolarHBondContact O-OG1 3.48Å; L551-T554 PolarHBondContact O-OG1 3.13Å
555E33.9Very low32.6Very low165 Ų165129.1 Ų129.177%0.77170%0.701SS**THydrogen-bonded Turntrans-82-10.6177.7-75.1-174.9159.800114.6
556F32.8Very low32.2Very low183 Ų183130.9 Ų130.980%0.80371%0.709SS**THydrogen-bonded Turntrans-88.3-1.5177.6-98.2-79.6000114.9
557H31Very low31.8Very low170 Ų170132.3 Ų132.379%0.78772%0.716SS**SBendtrans-107.3-2.7-174.9-116.2-58.3000116.5
558D30.7Very low31.4Very low162 Ų162136.2 Ų136.287%0.86673%0.734SS**SBendtrans-107.690.9174.4-91.6-22.1000111.2
559G32.6Very low31.1Very low68 Ų68134.9 Ų134.970%0.70174%0.739SS**  trans160.849162.900000118.5
560V27.6Very low30.6Very low148 Ų148135.3 Ų135.390%0.89775%0.748SS**  trans-152.5119.5148-174.30000110
561A27.3Very low30.3Very low92 Ų92136.7 Ų136.776%0.7676%0.755SS**  trans-99.5120.1159.900000109
562N26.3Very low29.9Very low158 Ų158139.2 Ų139.285%0.84576%0.763SS**  trans-170.1147.5132.3-110.3-4.4000113.1
563E27.4Very low29.4Very low172 Ų172142.5 Ų142.580%0.80478%0.778SS**  trans-56.7141.4-174.8-58.5169.9127.200114.9
564T26.3Very low28.8Very low128 Ų128141.9 Ų141.979%0.78578%0.783SS**  167.3127.3109.1330000111.7
565S26.6Very low28.5Very low93 Ų93144.3 Ų144.365%0.6580%0.798SS**  trans28.9118141.4-38.90000119.8
566H26.9Very low28.1Very low179 Ų179139.5 Ų139.583%0.82979%0.792SS**  171.6144.1107-94-80.6000112.6
567L28.5Very low27.9Very low150 Ų150140.4 Ų140.479%0.78580%0.799SS**  trans-41.5146.3175.5-68.1136000115.9
568L26Very low27.7Very low164 Ų164140 Ų14086%0.85980%0.802SS**  166.5128.4113.9-85.1159.5000112.2
569T28.8Very low27.6Very low131 Ų131140.7 Ų140.780%0.80481%0.805SS**  trans-63.8153.5162.2-4.20000111.3
570P33.6Very low27.3Very low116 Ų116140.7 Ų140.775%0.75381%0.806SS**  -148.2142.8100.832.1-12.4000113.8
571Q26.3Very low27.3Very low175 Ų175142.2 Ų142.282%0.81881%0.808SS**  60.5109.883.8-108.3-177.1-4.400116.6
572H26.7Very low27.2Very low164 Ų164142.8 Ų142.876%0.75981%0.806SS**  trans40.5122.2139.9-91.6-83.7000120.9
573N26.1Very low27.2Very low149 Ų149147.3 Ų147.380%0.79781%0.812SS**  177.314292.8-104.4-16.5000115.1
574C25.5Very low27.2Very low116 Ų116144.6 Ų144.678%0.78481%0.812SS**  trans-77.3142168.7-53.70000111.7
575V27.2Very low27.2Very low147 Ų147145.4 Ų145.489%0.89181%0.811SS**  trans-148.3123.1141178.30000107.5
576G26.6Very low27.3Very low64 Ų64149.7 Ų149.766%0.6682%0.821SS**  trans-92.9168.4175.100000113.1
577Q27.1Very low27.4Very low202 Ų202146.5 Ų146.594%0.94482%0.819SS**  trans-163.1122.2142.4-109.8170.81100110.5
578N27Very low27.5Very low161 Ų161144.2 Ų144.286%0.86182%0.821SS**  trans-87.5142.3171.1-102.5-23.9000109.9
579L28.6Very low27.8Very low177 Ų177145.3 Ų145.393%0.92782%0.821SS**  trans177.9115.9149.6-94.9140.7000105.2
580G26.3Very low27.8Very low69 Ų69146.7 Ų146.771%0.71182%0.824SS**  cis101.280.731.900000109.2
581L27.5Very low27.9Very low180 Ų180149.8 Ų149.894%0.94283%0.828SS**  trans-128115.4171.9-85.6168.7000111.8
582S26.6Very low28.1Very low104 Ų104145 Ų14573%0.72783%0.826SS**PPolyproline II helixtrans-77.7138178.3160.30000111.4
583W26.1Very low29.2Very low252 Ų252143.2 Ų143.296%0.95583%0.829SS**PPolyproline II helixtrans-88.6123.3163-8841.4000109.9
584S27.1Very low29.5Very low115 Ų115148.6 Ų148.680%0.80485%0.853SS**PPolyproline II helixtrans-103.7122.8171.312.60000110.2
585N26.2Very low29.7Very low145 Ų145150.2 Ų150.278%0.77586%0.856SS**  trans-104.4157169.5-113.5-13.9000109.7
586H29.8Very low29.8Very low183 Ų183150.4 Ų150.485%0.84785%0.854SS**  trans104.3124.9176-65.6-66000115.4
587S28.4Very low30Very low113 Ų113155.2 Ų155.279%0.7987%0.865SS**  -172.8135.769.534.70000108.8
588A30.9Very low30.2Very low101 Ų101152.4 Ų152.484%0.83586%0.86SS**  97133.669.100000113.9
589H30.5Very low30.4Very low187 Ų187151.9 Ų151.987%0.86686%0.86SS**  trans-43.1150.5173-91.6-92000116.4
590N29Very low30.5Very low160 Ų160150.2 Ų150.286%0.85686%0.856SS**  trans-154.5146.9134.3-141.27.7000113
591E37.1Very low30.8Very low181 Ų181156 Ų15685%0.84687%0.866SS**  trans-76.6171.3-176.7-63-175.6139.300114.2
592G29.8Very low31Very low75 Ų75154.2 Ų154.277%0.77386%0.86SS**  trans-67.1-152.8-17800000116.2
593P49.8Very low31.4Very low127 Ų127158.3 Ų158.383%0.82587%0.871SS**  cis-135.1163.513.340.8-23000116.7
594M32.1Very low31.9Very low261 Ų261149.8 Ų149.8100%1.28686%0.864SS**  trans1690139.2-97.4-93.2-166.500109.5

Retrieved 594 of 594 residues in 136.3 ms (Link to these results)

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