A0A087Y4Q0_POEFO Loading...

ArfGAP with FG repeats 1a

AlphaFold DB , UniProt , Accession A0A087Y4Q0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 593 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
1M72.8Confident88.1Confident219 Ų219115.5 Ų115.5100%1.07961%0.613SS**  0-61.60-162.4171.4-7700112.8A3 S4M1-A3 PolarHBondContact O-N 3.08Å; M1-A3 VanDerWaalsContact O-N 3.1Å; M1-S4 WeakPolarHBondContact O-CB 3.03Å; M1-S4 PolarHBondContact O-N 3.4Å
2A79.7Confident88.6Confident81 Ų81115.7 Ų115.767%0.66961%0.605SS**Hα-helixtrans-46.4-43.2-171.400000116.9S4 A5 K6A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 3.37Å; A2-A5 WeakPolarHBondContact O-CB 3.4Å; A2-A5 PolarHBondContact O-N 2.75Å; A2-A5 VanDerWaalsContact O-N 3.13Å; A2-K6 PolarHBondContact O-N 2.72Å
3A84.7Confident89.1Confident83 Ų83107.5 Ų107.569%0.68656%0.561SS**Hα-helixtrans-59.9-32.4178.900000113.9M1 R7M1-A3 PolarHBondContact O-N 3.08Å; M1-A3 VanDerWaalsContact O-N 3.1Å; A3-R7 PolarHBondContact O-N 3.23Å; A3-R7 VanDerWaalsContact O-N 3.12Å
4S89.6Confident89.2Confident89 Ų89105.1 Ų105.162%0.62255%0.549SS*.Hα-helixtrans-70.9-41.2175.4-177.90000111.5M1 A2 K6 R7 K8M1-S4 WeakPolarHBondContact O-CB 3.03Å; M1-S4 PolarHBondContact O-N 3.4Å; A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 3.37Å; S4-K6 PolarHBondContact O-N 2.98Å; S4-R7 PolarHBondContact O-N 2.95Å; S4-K8 PolarHBondContact O-N 3.36Å
5A90.9Very high89.6Confident61 Ų61107.4 Ų107.450%0.50455%0.553SS.*Hα-helixtrans-61.5-43.517500000111.7A2 K8 Q9A2-A5 WeakPolarHBondContact O-CB 3.4Å; A2-A5 PolarHBondContact O-N 2.75Å; A2-A5 VanDerWaalsContact O-N 3.13Å; A5-K8 PolarHBondContact O-N 2.85Å; A5-Q9 PolarHBondContact O-N 3.02Å
6K90.9Very high89.9Confident117 Ų117102.1 Ų102.151%0.50953%0.525SS..Hα-helixtrans-57.1-50.7173.1-178.4178.5175.2-72.90111.6A2 S4 K8 Q9 E10A2-K6 PolarHBondContact O-N 2.72Å; S4-K6 PolarHBondContact O-N 2.98Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.14Å; K6-Q9 WeakPolarHBondContact O-CB 3.35Å; K6-Q9 PolarHBondContact O-N 3.21Å; K6-Q9 VanDerWaalsContact O-N 3.1Å; K6-E10 HydrophobicContact CG-CG 4.46Å; K6-E10 IonicContact NZ-OE1 3.56Å; K6-E10 PolarHBondContact NZ-OE1 3.05Å; K6-E10 IonicContact NZ-OE2 2.65Å; K6-E10 PolarHBondContact NZ-OE2 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.42Å; K6-E10 PolarHBondContact O-N 2.97Å
7R90.3Very high90.1Very high192 Ų19296.2 Ų96.273%0.72550%0.495SS*.Hα-helixtrans-59.5-42.4179.8-168178.5-174.1178.22.8112.3A3 S4 Q9 E10 E11A3-R7 PolarHBondContact O-N 3.23Å; A3-R7 VanDerWaalsContact O-N 3.12Å; S4-R7 PolarHBondContact O-N 2.95Å; R7-Q9 VanDerWaalsContact C-N 3.32Å; R7-Q9 PolarHBondContact O-N 3.42Å; R7-E10 PolarHBondContact O-N 3.38Å; R7-E11 WeakPolarHBondContact O-CB 3.3Å; R7-E11 PolarHBondContact O-N 2.9Å
8K92.9Very high90.3Very high160 Ų16099.6 Ų99.670%0.69650%0.501SS*.Hα-helixtrans-62.9-35.9175.6-174.3175.8-179.1177.50112.5S4 A5 K6 K12S4-K8 PolarHBondContact O-N 3.36Å; A5-K8 PolarHBondContact O-N 2.85Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.14Å; K8-K12 PolarHBondContact O-N 2.97Å; K8-K12 VanDerWaalsContact O-N 3.11Å
9Q92.4Very high90.5Very high96 Ų96100.5 Ų100.545%0.44950%0.503SS..Hα-helixtrans-70-44.4174-179.7172.9700111.9A5 K6 R7 E11 K12 H13A5-Q9 PolarHBondContact O-N 3.02Å; K6-Q9 WeakPolarHBondContact O-CB 3.35Å; K6-Q9 PolarHBondContact O-N 3.21Å; K6-Q9 VanDerWaalsContact O-N 3.1Å; R7-Q9 VanDerWaalsContact C-N 3.32Å; R7-Q9 PolarHBondContact O-N 3.42Å; Q9-E11 VanDerWaalsContact C-N 3.3Å; Q9-E11 PolarHBondContact O-N 3.42Å; Q9-K12 WeakPolarHBondContact O-CB 3.3Å; Q9-K12 PolarHBondContact O-N 3.41Å; Q9-K12 VanDerWaalsContact O-N 3.13Å; Q9-H13 WeakPolarHBondContact CG-NE2 3.29Å; Q9-H13 PolarHBondContact NE2-CE1 2.72Å; Q9-H13 PolarHBondContact NE2-NE2 2.81Å; Q9-H13 VanDerWaalsContact NE2-NE2 3.13Å; Q9-H13 PolarHBondContact O-CD2 2.85Å; Q9-H13 PolarHBondContact O-N 3.28Å
10E91.8Very high90.7Very high42 Ų4296 Ų9620%0.19648%0.48CS..Hα-helixtrans-60.2-40.6176.7-69.2176.4126.700111.5K6 R7 H13 L14 T72K6-E10 HydrophobicContact CG-CG 4.46Å; K6-E10 IonicContact NZ-OE1 3.56Å; K6-E10 PolarHBondContact NZ-OE1 3.05Å; K6-E10 IonicContact NZ-OE2 2.65Å; K6-E10 PolarHBondContact NZ-OE2 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.42Å; K6-E10 PolarHBondContact O-N 2.97Å; R7-E10 PolarHBondContact O-N 3.38Å; E10-H13 PolarHBondContact O-N 2.9Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 3.46Å; E10-T72 HydrophobicContact CG-CG2 3.96Å; E10-T72 VanDerWaalsContact OE1-CG2 3.25Å; E10-T72 WeakPolarHBondContact OE1-CG2 3.46Å; E10-T72 PolarHBondContact OE1-OG1 3.15Å
11E92.7Very high90.9Very high131 Ų13193 Ų9361%0.61247%0.467SS*.Hα-helixtrans-62.4-42.7172.7-169.9-176.8164.800112.5R7 Q9 H13 L14 K15R7-E11 WeakPolarHBondContact O-CB 3.3Å; R7-E11 PolarHBondContact O-N 2.9Å; Q9-E11 VanDerWaalsContact C-N 3.3Å; Q9-E11 PolarHBondContact O-N 3.42Å; E11-H13 VanDerWaalsContact C-N 3.34Å; E11-H13 PolarHBondContact O-N 3.01Å; E11-L14 CarbonylContact O-C 3.6Å; E11-L14 PolarHBondContact O-N 2.97Å; E11-K15 PolarHBondContact O-N 3.49Å
12K94.4Very high91.9Very high117 Ų11785.4 Ų85.451%0.50944%0.435SS..Hα-helixtrans-59.7-44.2173.7-168.3-156.6173.1-166.30111.1K8 Q9 K15 M16K8-K12 PolarHBondContact O-N 2.97Å; K8-K12 VanDerWaalsContact O-N 3.11Å; Q9-K12 WeakPolarHBondContact O-CB 3.3Å; Q9-K12 PolarHBondContact O-N 3.41Å; Q9-K12 VanDerWaalsContact O-N 3.13Å; K12-K15 PolarHBondContact O-N 3.49Å; K12-M16 HydrophobicContact CD-CE 4.03Å; K12-M16 HydrophobicContact CG-CE 4.03Å; K12-M16 WeakPolarHBondContact O-CG 3.29Å; K12-M16 PolarHBondContact O-N 2.93Å
13H94.6Very high92.6Very high9 Ų985.7 Ų85.74%0.04243%0.425CS..Hα-helixtrans-61.9-44.1176.7-64-177.1000111.1Q9 E10 E11 K15 M16 L17 F73 Q75 I78Q9-H13 WeakPolarHBondContact CG-NE2 3.29Å; Q9-H13 PolarHBondContact NE2-CE1 2.72Å; Q9-H13 PolarHBondContact NE2-NE2 2.81Å; Q9-H13 VanDerWaalsContact NE2-NE2 3.13Å; Q9-H13 PolarHBondContact O-CD2 2.85Å; Q9-H13 PolarHBondContact O-N 3.28Å; E10-H13 PolarHBondContact O-N 2.9Å; E11-H13 VanDerWaalsContact C-N 3.34Å; E11-H13 PolarHBondContact O-N 3.01Å; H13-K15 VanDerWaalsContact C-N 3.31Å; H13-K15 PolarHBondContact O-N 2.96Å; H13-M16 PolarHBondContact O-N 2.96Å; H13-L17 WeakPolarHBondContact O-CB 3.5Å; H13-L17 PolarHBondContact O-N 2.91Å; H13-F73 PolarHBondContact ND1-O 3.2Å; H13-Q75 PolarHBondContact CE1-N 2.93Å; H13-Q75 VanDerWaalsContact CE1-N 3.3Å; H13-Q75 PolarHBondContact NE2-OE1 2.84Å; H13-I78 HydrophobicContact CB-CD1 4.36Å; H13-I78 HydrophobicContact CB-CG1 4.02Å
14L91.6Very high93.1Very high75 Ų7586.4 Ų86.439%0.39342%0.423SS..Hα-helixtrans-68.5-23.3176.3-69.9170.5000113.7E10 E11 R18E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 3.46Å; E11-L14 CarbonylContact O-C 3.6Å; E11-L14 PolarHBondContact O-N 2.97Å; L14-R18 WeakPolarHBondContact O-CG 3.43Å; L14-R18 PolarHBondContact O-N 3.44Å; L14-R18 PolarHBondContact O-NE 2.93Å
15K93.9Very high93.3Very high139 Ų13984.4 Ų84.460%0.60441%0.408SS*.Hα-helixtrans-70.5-54.4167.7-173.3-175.3175-173.40110.5E11 K12 H13 L17 R18 E19E11-K15 PolarHBondContact O-N 3.49Å; K12-K15 PolarHBondContact O-N 3.49Å; H13-K15 VanDerWaalsContact C-N 3.31Å; H13-K15 PolarHBondContact O-N 2.96Å; K15-L17 PolarHBondContact O-N 3.46Å; K15-R18 PolarHBondContact O-N 3.42Å; K15-R18 VanDerWaalsContact O-N 3.13Å; K15-E19 PolarHBondContact O-N 3.31Å
16M95Very high93.5Very high23 Ų2381.8 Ų81.811%0.11339%0.385CS..Hα-helixtrans-59.4-34.3179.9-67.2-177.2-66.400112.4K12 H13 E19 M20 I78K12-M16 HydrophobicContact CD-CE 4.03Å; K12-M16 HydrophobicContact CG-CE 4.03Å; K12-M16 WeakPolarHBondContact O-CG 3.29Å; K12-M16 PolarHBondContact O-N 2.93Å; H13-M16 PolarHBondContact O-N 2.96Å; M16-E19 PolarHBondContact O-N 2.66Å; M16-M20 WeakPolarHBondContact O-CG 3.28Å; M16-M20 PolarHBondContact O-N 3.34Å; M16-I78 HydrophobicContact CB-CG2 3.85Å; M16-I78 HydrophobicContact CE-CG2 3.95Å; M16-I78 HydrophobicContact SD-CG2 4.24Å
17L94.2Very high93.7Very high2 Ų283.2 Ų83.21%0.0139%0.387CS..Hα-helixtrans-69.1-39.3176.7-170.859.3000112.9H13 K15 M20 T21 F47 I68 F73 I78 L81H13-L17 WeakPolarHBondContact O-CB 3.5Å; H13-L17 PolarHBondContact O-N 2.91Å; K15-L17 PolarHBondContact O-N 3.46Å; L17-M20 HydrophobicContact CD1-CE 3.84Å; L17-M20 PolarHBondContact O-N 3.33Å; L17-T21 PolarHBondContact O-N 3.31Å; L17-T21 PolarHBondContact O-OG1 3.07Å; L17-F47 HydrophobicContact CD1-CE1 3.9Å; L17-F47 HydrophobicContact CD1-CZ 4.36Å; L17-I68 HydrophobicContact CD2-CB 4.48Å; L17-I68 HydrophobicContact CD2-CG2 3.85Å; L17-I68 HydrophobicContact CG-CG2 4.04Å; L17-F73 HydrophobicContact CD2-CD2 3.62Å; L17-F73 HydrophobicContact CD2-CE2 3.43Å; L17-F73 VanDerWaalsContact CD2-CE2 3.43Å; L17-F73 HydrophobicContact CD2-CG 4.43Å; L17-F73 HydrophobicContact CD2-CZ 4.09Å; L17-I78 HydrophobicContact CB-CD1 4.08Å; L17-I78 HydrophobicContact CD1-CD1 4.27Å; L17-L81 HydrophobicContact CD1-CD1 3.76Å
18R92.6Very high94Very high157 Ų15777.8 Ų77.859%0.59237%0.369SS*.Hα-helixtrans-68.1-36.2173.1-78.7178.5-73166.9-4.7112.5L14 K15 T21 S22L14-R18 WeakPolarHBondContact O-CG 3.43Å; L14-R18 PolarHBondContact O-N 3.44Å; L14-R18 PolarHBondContact O-NE 2.93Å; K15-R18 PolarHBondContact O-N 3.42Å; K15-R18 VanDerWaalsContact O-N 3.13Å; R18-T21 PolarHBondContact O-N 2.95Å; R18-T21 PolarHBondContact O-OG1 3.33Å; R18-S22 WeakPolarHBondContact O-CB 3.48Å; R18-S22 PolarHBondContact O-N 3.49Å
19E94.8Very high94.1Very high116 Ų11670.3 Ų70.354%0.54234%0.337SS..Hα-helixtrans-61.3-49.6174.1-171.3169.9-179.600110.4K15 M16 T21 S22K15-E19 PolarHBondContact O-N 3.31Å; M16-E19 PolarHBondContact O-N 2.66Å; E19-T21 PolarHBondContact O-N 3.38Å; E19-S22 WeakPolarHBondContact O-CB 3.5Å; E19-S22 PolarHBondContact O-N 3.13Å; E19-S22 VanDerWaalsContact O-N 3.16Å; E19-S22 PolarHBondContact O-OG 3.03Å
20M94.9Very high94.2Very high11 Ų1166.6 Ų66.65%0.05432%0.32CS..Hα-helixtrans-58.5-47.1174.2-73.6-173-71.900113.6M16 L17 S22 L23 N26 F47 I78 L81 Q82M16-M20 WeakPolarHBondContact O-CG 3.28Å; M16-M20 PolarHBondContact O-N 3.34Å; L17-M20 HydrophobicContact CD1-CE 3.84Å; L17-M20 PolarHBondContact O-N 3.33Å; M20-S22 PolarHBondContact O-N 2.78Å; M20-L23 WeakPolarHBondContact O-CB 3.4Å; M20-L23 WeakPolarHBondContact O-CG 3.23Å; M20-L23 PolarHBondContact O-N 3.37Å; M20-N26 VanDerWaalsContact O-CB 3.23Å; M20-N26 WeakPolarHBondContact O-CB 3.48Å; M20-N26 PolarHBondContact O-ND2 3.15Å; M20-F47 HydrophobicContact CB-CE2 4.3Å; M20-F47 HydrophobicContact CB-CZ 3.86Å; M20-F47 HydrophobicContact CE-CZ 4.5Å; M20-F47 HydrophobicContact SD-CZ 4.31Å; M20-I78 HydrophobicContact CE-CD1 4.2Å; M20-I78 HydrophobicContact CE-CG2 3.96Å; M20-L81 HydrophobicContact CE-CB 3.73Å; M20-L81 HydrophobicContact CE-CD1 4.02Å; M20-L81 HydrophobicContact SD-CB 3.55Å; M20-L81 VanDerWaalsContact SD-CB 3.55Å; M20-Q82 HydrophobicContact CE-CG 4.2Å; M20-Q82 HydrophobicContact CG-CG 4.04Å; M20-Q82 HydrophobicContact SD-CB 4.12Å; M20-Q82 HydrophobicContact SD-CG 3.38Å; M20-Q82 WeakPolarHBondContact SD-CG 3.25Å; M20-Q82 PolarHBondContact SD-N 3.36Å; M20-Q82 VanDerWaalsContact SD-N 3.39Å
21T94.1Very high94.3Very high34 Ų3464.9 Ų64.921%0.20931%0.311CS..Hα-helixtrans-70.6-16.6179.656.10000113.4L17 R18 E19 L23 F47 I68L17-T21 PolarHBondContact O-N 3.31Å; L17-T21 PolarHBondContact O-OG1 3.07Å; R18-T21 PolarHBondContact O-N 2.95Å; R18-T21 PolarHBondContact O-OG1 3.33Å; E19-T21 PolarHBondContact O-N 3.38Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-F47 HydrophobicContact CG2-CD1 3.74Å; T21-F47 HydrophobicContact CG2-CE1 3.64Å; T21-F47 HydrophobicContact CG2-CG 4.44Å; T21-F47 HydrophobicContact CG2-CZ 4.29Å; T21-I68 HydrophobicContact CG2-CD1 4Å
22S93.8Very high94.3Very high58 Ų5859.2 Ų59.241%0.40629%0.286SS..Hα-helixtrans-76.7-16.5173.182.80000113.9R18 E19 M20 R27R18-S22 WeakPolarHBondContact O-CB 3.48Å; R18-S22 PolarHBondContact O-N 3.49Å; E19-S22 WeakPolarHBondContact O-CB 3.5Å; E19-S22 PolarHBondContact O-N 3.13Å; E19-S22 VanDerWaalsContact O-N 3.16Å; E19-S22 PolarHBondContact O-OG 3.03Å; M20-S22 PolarHBondContact O-N 2.78Å; S22-R27 VanDerWaalsContact O-CZ 3.25Å; S22-R27 PolarHBondContact O-NE 3.39Å; S22-R27 PolarHBondContact O-NH2 2.79Å
23L94.9Very high94.1Very high87 Ų8758 Ų5846%0.45529%0.285SS..SBendtrans-65136.1177.6-61.9175.9000110.6M20 T21 N26 R27M20-L23 WeakPolarHBondContact O-CB 3.4Å; M20-L23 WeakPolarHBondContact O-CG 3.23Å; M20-L23 PolarHBondContact O-N 3.37Å; T21-L23 VanDerWaalsContact C-N 3.33Å; L23-N26 HydrophobicContact CB-CB 4.38Å; L23-N26 CarbonylContact O-C 3.51Å; L23-N26 WeakPolarHBondContact O-CA 3.37Å; L23-N26 PolarHBondContact O-N 3.1Å; L23-R27 PolarHBondContact O-N 3.01Å
24P94.2Very high93.9Very high98 Ų9863 Ų6364%0.63631%0.309SS*.G310 helixtrans-45.7-48.9-176-2934.8000116.6N26 R27P24-N26 VanDerWaalsContact C-N 3.25Å; P24-N26 PolarHBondContact O-N 3.13Å; P24-R27 PolarHBondContact O-N 3.25Å
25P93.5Very high94Very high48 Ų4869.7 Ų69.731%0.31233%0.329SS..G310 helixtrans-67.5-24.1178.627.2-35.9000113.4N86 E87P25-N86 HydrophobicContact CB-CB 4.23Å; P25-N86 VanDerWaalsContact O-CB 3.3Å; P25-N86 WeakPolarHBondContact O-CB 3.44Å; P25-N86 PolarHBondContact O-ND2 2.96Å; P25-E87 HydrophobicContact CB-CB 4.23Å; P25-E87 HydrophobicContact CG-CB 4.01Å
26N96.3Very high93.9Very high5 Ų565.2 Ų65.23%0.02732%0.323CS..G310 helixtrans-89.3-3.9179.7-61.9-22.8000113.3M20 L23 P24 K28 P37 F47 N86M20-N26 VanDerWaalsContact O-CB 3.23Å; M20-N26 WeakPolarHBondContact O-CB 3.48Å; M20-N26 PolarHBondContact O-ND2 3.15Å; L23-N26 HydrophobicContact CB-CB 4.38Å; L23-N26 CarbonylContact O-C 3.51Å; L23-N26 WeakPolarHBondContact O-CA 3.37Å; L23-N26 PolarHBondContact O-N 3.1Å; P24-N26 VanDerWaalsContact C-N 3.25Å; P24-N26 PolarHBondContact O-N 3.13Å; N26-K28 PolarHBondContact O-N 2.97Å; N26-P37 WeakPolarHBondContact O-CG 3.41Å; N26-F47 HydrophobicContact CB-CD2 3.87Å; N26-F47 HydrophobicContact CB-CE2 4.27Å; N26-N86 VanDerWaalsContact OD1-CB 3.29Å; N26-N86 WeakPolarHBondContact OD1-CB 3.44Å; N26-N86 PolarHBondContact OD1-N 3.26Å
27R95.4Very high93.9Very high147 Ų14765 Ų6556%0.55532%0.322SS*.G310 helixtrans-74.7-8.2174.8-66.7-178.1-173.4-161.9-1.1113.5S22 L23 P24 G36 P37S22-R27 VanDerWaalsContact O-CZ 3.25Å; S22-R27 PolarHBondContact O-NE 3.39Å; S22-R27 PolarHBondContact O-NH2 2.79Å; L23-R27 PolarHBondContact O-N 3.01Å; P24-R27 PolarHBondContact O-N 3.25Å; R27-G36 PolarHBondContact O-N 3.06Å; R27-P37 WeakPolarHBondContact O-CD 3.42Å
28K95.3Very high94Very high78 Ų7867.5 Ų67.534%0.33934%0.338SS..BIsolated β-bridgetrans-124.9156.5-178.1-58.8-169.2-173.4-175.10111N26 D33 Q34 N86N26-K28 PolarHBondContact O-N 2.97Å; K28-D33 WeakPolarHBondContact CB-O 3.35Å; K28-D33 VanDerWaalsContact CD-CG 3.41Å; K28-D33 WeakPolarHBondContact CD-O 3.47Å; K28-D33 WeakPolarHBondContact CD-OD1 3.38Å; K28-D33 WeakPolarHBondContact CD-OD2 3.4Å; K28-D33 IonicContact NZ-OD1 3.67Å; K28-D33 PolarHBondContact NZ-OD1 3.39Å; K28-D33 IonicContact NZ-OD2 2.66Å; K28-D33 PolarHBondContact NZ-OD2 3.35Å; K28-Q34 CarbonylContact C-O 3.55Å; K28-Q34 WeakPolarHBondContact CA-O 3.44Å; K28-N86 PolarHBondContact O-ND2 3.03Å
29C95.5Very high94.3Very high3 Ų362.3 Ų62.32%0.0232%0.319CS..  trans-67.7126.8172-179.30000110.6D31 C32 D33 Q34 V48 C49C29-D31 PolarHBondContact O-N 3.46Å; C29-D31 VanDerWaalsContact O-N 3.09Å; C29-C32 VanDerWaalsContact CB-SG 3.56Å; C29-C32 PolarHBondContact O-N 3.06Å; C29-C32 PolarHBondContact SG-SG 3.07Å; C29-D33 WeakPolarHBondContact O-CA 3.24Å; C29-D33 PolarHBondContact O-N 3.5Å; C29-Q34 HydrophobicContact CB-CB 4.35Å; C29-Q34 WeakPolarHBondContact CB-O 3.46Å; C29-Q34 PolarHBondContact N-O 3.38Å; C29-V48 VanDerWaalsContact SG-CA 3.6Å; C29-C49 HydrophobicContact CB-CB 4.11Å; C29-C49 PolarHBondContact SG-N 2.98Å
30F95.5Very high94.4Very high19 Ų1956.8 Ų56.88%0.08329%0.293CS..THydrogen-bonded Turntrans-62-16.3178.9-176-115.4000115.1F47 V48 N86 C89 K90 W93 L94 K120 Y121F30-F47 WeakPolarHBondContact CB-O 3.22Å; F30-F47 PolarHBondContact N-O 3.44Å; F30-V48 HydrophobicContact CB-CG1 4.22Å; F30-N86 HydrophobicContact CD2-CB 4.1Å; F30-C89 HydrophobicContact CD1-CB 4.37Å; F30-C89 HydrophobicContact CD2-CB 4.17Å; F30-C89 HydrophobicContact CE1-CB 3.9Å; F30-C89 HydrophobicContact CE2-CB 3.71Å; F30-C89 HydrophobicContact CZ-CB 3.58Å; F30-C89 WeakPolarHBondContact CZ-O 3.46Å; F30-K90 HydrophobicContact CE2-CB 4.1Å; F30-W93 HydrophobicContact CE1-CB 4.27Å; F30-W93 HydrophobicContact CZ-CB 4.1Å; F30-L94 HydrophobicContact CE2-CD1 4.25Å; F30-L94 HydrophobicContact CZ-CD1 4.25Å; F30-K120 VanDerWaalsContact CE1-CE 3.46Å; F30-K120 PolarHBondContact O-NZ 3.35Å; F30-Y121 VanDerWaalsContact CD1-OH 3.25Å; F30-Y121 WeakPolarHBondContact CD1-OH 3.36Å; F30-Y121 VanDerWaalsContact CE1-OH 3.27Å; F30-Y121 WeakPolarHBondContact CE1-OH 3.29Å
31D93.4Very high94.5Very high5 Ų556.2 Ų56.23%0.02729%0.29CS..THydrogen-bonded Turntrans-113.3-18-173-72.4-39.1000114.1C29 V48 C52 F107 L117 K120 Y121C29-D31 PolarHBondContact O-N 3.46Å; C29-D31 VanDerWaalsContact O-N 3.09Å; D31-V48 WeakPolarHBondContact OD2-CG1 3.29Å; D31-C52 HydrophobicContact CB-CB 3.93Å; D31-F107 WeakPolarHBondContact O-CE1 3.44Å; D31-L117 HydrophobicContact CB-CD1 4.04Å; D31-K120 IonicContact OD1-NZ 2.81Å; D31-K120 PolarHBondContact OD1-NZ 2.96Å; D31-Y121 WeakPolarHBondContact OD1-CE2 3.35Å; D31-Y121 PolarHBondContact OD1-OH 2.65Å; D31-Y121 PolarHBondContact OD2-OH 3.49Å
32C91.4Very high94.7Very high13 Ų1355.4 Ų55.49%0.08828%0.284CS..THydrogen-bonded Turntrans-142.510.2-179.970.40000115.8C29 Q34 F107C29-C32 VanDerWaalsContact CB-SG 3.56Å; C29-C32 PolarHBondContact O-N 3.06Å; C29-C32 PolarHBondContact SG-SG 3.07Å; C32-Q34 PolarHBondContact O-N 3.02Å; C32-Q34 VanDerWaalsContact SG-CB 3.55Å; C32-F107 VanDerWaalsContact CA-CE1 3.44Å; C32-F107 HydrophobicContact CB-CB 4.23Å; C32-F107 HydrophobicContact CB-CD1 3.36Å; C32-F107 HydrophobicContact CB-CD2 4.31Å; C32-F107 HydrophobicContact CB-CE1 3.69Å; C32-F107 HydrophobicContact CB-CG 3.71Å; C32-F107 HydrophobicContact CB-CZ 4.28Å
33D90.8Very high94.8Very high91 Ų9156.3 Ų56.349%0.48729%0.288SS..  trans57.9-3.3-179.1-156.867.3000115.7K28 C29 R35K28-D33 WeakPolarHBondContact CB-O 3.35Å; K28-D33 VanDerWaalsContact CD-CG 3.41Å; K28-D33 WeakPolarHBondContact CD-O 3.47Å; K28-D33 WeakPolarHBondContact CD-OD1 3.38Å; K28-D33 WeakPolarHBondContact CD-OD2 3.4Å; K28-D33 IonicContact NZ-OD1 3.67Å; K28-D33 PolarHBondContact NZ-OD1 3.39Å; K28-D33 IonicContact NZ-OD2 2.66Å; K28-D33 PolarHBondContact NZ-OD2 3.35Å; C29-D33 WeakPolarHBondContact O-CA 3.24Å; C29-D33 PolarHBondContact O-N 3.5Å; D33-R35 PolarHBondContact O-N 3.13Å
34Q91.3Very high94.8Very high113 Ų11352.5 Ų52.553%0.52827%0.268SS..  trans-57.2129.4178.1-171.1-178.330.700111.4K28 C29 C32 C49K28-Q34 CarbonylContact C-O 3.55Å; K28-Q34 WeakPolarHBondContact CA-O 3.44Å; C29-Q34 HydrophobicContact CB-CB 4.35Å; C29-Q34 WeakPolarHBondContact CB-O 3.46Å; C29-Q34 PolarHBondContact N-O 3.38Å; C32-Q34 PolarHBondContact O-N 3.02Å; C32-Q34 VanDerWaalsContact SG-CB 3.55Å; Q34-C49 PolarHBondContact OE1-SG 3.47Å
35R93.5Very high94.9Very high216 Ų21647.9 Ų47.982%0.81524%0.238SC*.BIsolated β-bridgetrans-62143.5179.2-64.9-178.8178.4-132.20.7111.8D33D33-R35 PolarHBondContact O-N 3.13Å
36G91.6Very high95.1Very high46 Ų4645.6 Ų45.647%0.47422%0.223SC..SBendtrans76.766.8174.600000114.1R27 T38R27-G36 PolarHBondContact O-N 3.06Å; G36-T38 PolarHBondContact O-N 3.39Å
37P95.6Very high95.1Very high17 Ų1745.3 Ų45.311%0.1122%0.222CC..  trans-61.4136.8170.426.7-32.7000111.1N26 R27 F47 V48 I68N26-P37 WeakPolarHBondContact O-CG 3.41Å; R27-P37 WeakPolarHBondContact O-CD 3.42Å; P37-F47 HydrophobicContact CB-CB 3.88Å; P37-F47 HydrophobicContact CG-CB 3.8Å; P37-V48 CarbonylContact C-O 3.59Å; P37-V48 WeakPolarHBondContact CA-O 3.45Å; P37-V48 WeakPolarHBondContact CB-O 3.28Å; P37-I68 WeakPolarHBondContact O-CD1 3.43Å
38T96.4Very high95.2Very high56 Ų5638.3 Ų38.334%0.34420%0.195SC..  trans-110.7-12.1-174.543.20000112.8G36 V48 T50 I68G36-T38 PolarHBondContact O-N 3.39Å; T38-V48 PolarHBondContact N-O 2.88Å; T38-T50 PolarHBondContact OG1-N 3.26Å; T38-T50 VanDerWaalsContact OG1-N 3.11Å; T38-T50 PolarHBondContact OG1-OG1 3.03Å; T38-I68 WeakPolarHBondContact O-CB 3.27Å; T38-I68 WeakPolarHBondContact O-CG1 3.5Å; T38-I68 PolarHBondContact O-N 3.48Å
39Y97.4Very high95.3Very high47 Ų4734.8 Ų34.818%0.18418%0.18CC..EExtended strand (participates in β ladder)trans-128153.7-179.8-69.1-102.7000111.1F47 V48 T50 K66Y39-F47 WeakPolarHBondContact O-CA 3.37Å; Y39-V48 PolarHBondContact N-O 3.44Å; Y39-V48 PolarHBondContact O-N 2.89Å; Y39-V48 VanDerWaalsContact O-O 3.13Å; Y39-T50 HydrophobicContact CE2-CG2 3.87Å; Y39-K66 CarbonylContact C-O 3.33Å; Y39-K66 WeakPolarHBondContact CA-O 3.33Å; Y39-K66 WeakPolarHBondContact CB-O 3.35Å; Y39-K66 WeakPolarHBondContact CD1-O 3.32Å
40A97.3Very high95.3Very high0 Ų038.5 Ų38.50%020%0.203CC..EExtended strand (participates in β ladder)trans-116.9133.3171.800000109.8M42 S46 F47 V65 K66 I68 F73 L81A40-M42 HydrophobicContact CB-CE 3.55Å; A40-S46 CarbonylContact C-O 3.59Å; A40-S46 WeakPolarHBondContact CA-O 3.36Å; A40-F47 HydrophobicContact CB-CD1 4.07Å; A40-F47 HydrophobicContact CB-CE1 4.12Å; A40-V65 WeakPolarHBondContact O-CA 3.21Å; A40-K66 PolarHBondContact N-O 3.31Å; A40-K66 PolarHBondContact O-N 3.38Å; A40-I68 HydrophobicContact CB-CG1 4.34Å; A40-F73 HydrophobicContact CB-CE1 4.3Å; A40-F73 HydrophobicContact CB-CZ 4.41Å; A40-L81 HydrophobicContact CB-CD1 4.14Å; A40-L81 HydrophobicContact CB-CD2 4.1Å
41N97.6Very high95.3Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-90.9100.5-178.1-174.1-17.7000109.9T43 V44 G45 S46 H63 V65N41-T43 PolarHBondContact O-N 3.04Å; N41-T43 WeakPolarHBondContact OD1-CB 3.37Å; N41-T43 PolarHBondContact OD1-N 2.88Å; N41-T43 VanDerWaalsContact OD1-N 3.17Å; N41-V44 PolarHBondContact O-N 3.13Å; N41-V44 PolarHBondContact OD1-N 2.91Å; N41-G45 WeakPolarHBondContact O-CA 3.43Å; N41-G45 PolarHBondContact O-N 3.23Å; N41-S46 PolarHBondContact N-O 3.1Å; N41-H63 PolarHBondContact ND2-ND1 3.41Å; N41-H63 PolarHBondContact OD1-ND1 3.1Å; N41-V65 HydrophobicContact CB-CG1 4.11Å
42M97.1Very high95.3Very high17 Ų1740.7 Ų40.78%0.08422%0.221CC..THydrogen-bonded Turntrans-72-8.6-177.4-50.1-72.485.900113.7A40 R64 K66 F73 E77 F80 L81A40-M42 HydrophobicContact CB-CE 3.55Å; M42-R64 WeakPolarHBondContact CA-O 3.49Å; M42-R64 HydrophobicContact CB-CB 4.22Å; M42-R64 HydrophobicContact CB-CG 4.06Å; M42-R64 WeakPolarHBondContact CB-O 3.38Å; M42-R64 HydrophobicContact CG-CG 4.38Å; M42-R64 VanDerWaalsContact CG-O 3.3Å; M42-R64 WeakPolarHBondContact CG-O 3.31Å; M42-R64 PolarHBondContact N-O 3.24Å; M42-K66 HydrophobicContact CG-CB 4.44Å; M42-K66 HydrophobicContact CG-CD 4.04Å; M42-K66 HydrophobicContact CG-CG 3.93Å; M42-K66 HydrophobicContact SD-CD 3.92Å; M42-K66 HydrophobicContact SD-CG 4.34Å; M42-F73 HydrophobicContact CE-CD1 4.41Å; M42-F73 HydrophobicContact CE-CE1 3.84Å; M42-F73 HydrophobicContact SD-CD1 4.04Å; M42-F73 HydrophobicContact SD-CE1 3.85Å; M42-E77 HydrophobicContact SD-CB 4.15Å; M42-E77 HydrophobicContact SD-CG 4.15Å; M42-F80 WeakPolarHBondContact O-CE1 3.27Å; M42-L81 HydrophobicContact CE-CD1 3.99Å; M42-L81 HydrophobicContact CE-CD2 3.8Å; M42-L81 HydrophobicContact CE-CG 3.97Å
43T95.9Very high95.6Very high77 Ų7740.3 Ų40.347%0.47222%0.218SC..THydrogen-bonded Turntrans-84.4-27.7173.9-550000111.7N41 R64N41-T43 PolarHBondContact O-N 3.04Å; N41-T43 WeakPolarHBondContact OD1-CB 3.37Å; N41-T43 PolarHBondContact OD1-N 2.88Å; N41-T43 VanDerWaalsContact OD1-N 3.17Å; T43-R64 PolarHBondContact OG1-N 2.8Å
44V95.4Very high95.8Very high7 Ų738 Ų384%0.04222%0.217CC..THydrogen-bonded Turntrans-118.4-31.7-170.1166.20000113.2N41 C89 W93 Y121N41-V44 PolarHBondContact O-N 3.13Å; N41-V44 PolarHBondContact OD1-N 2.91Å; V44-C89 HydrophobicContact CG1-CB 4.34Å; V44-C89 PolarHBondContact O-SG 3.41Å; V44-C89 VanDerWaalsContact O-SG 3.37Å; V44-W93 HydrophobicContact CG2-CZ2 4.07Å; V44-Y121 HydrophobicContact CG1-CE1 4.43Å; V44-Y121 HydrophobicContact CG2-CD1 4.26Å; V44-Y121 HydrophobicContact CG2-CE1 3.86Å
45G96.4Very high96Very high0 Ų033.7 Ų33.70%020%0.197CC..THydrogen-bonded Turntrans9410.6-174.500000114.7N41 G85N41-G45 WeakPolarHBondContact O-CA 3.43Å; N41-G45 PolarHBondContact O-N 3.23Å; G45-G85 WeakPolarHBondContact O-CA 3.5Å; G45-G85 PolarHBondContact O-N 3.4Å
46S97.1Very high96.2Very high0 Ų023.4 Ų23.40%016%0.158CC..EExtended strand (participates in β ladder)trans-100163.5-176.359.10000114.4A40 N41 N86A40-S46 CarbonylContact C-O 3.59Å; A40-S46 WeakPolarHBondContact CA-O 3.36Å; N41-S46 PolarHBondContact N-O 3.1Å; S46-N86 WeakPolarHBondContact CA-OD1 3.43Å
47F97.9Very high96.4Very high0 Ų028 Ų280%016%0.161CC..EExtended strand (participates in β ladder)trans-108.5128.6176.4-63.3-83.5000110.8L17 M20 T21 N26 F30 P37 Y39 A40 I68 L81 N86L17-F47 HydrophobicContact CD1-CE1 3.9Å; L17-F47 HydrophobicContact CD1-CZ 4.36Å; M20-F47 HydrophobicContact CB-CE2 4.3Å; M20-F47 HydrophobicContact CB-CZ 3.86Å; M20-F47 HydrophobicContact CE-CZ 4.5Å; M20-F47 HydrophobicContact SD-CZ 4.31Å; T21-F47 HydrophobicContact CG2-CD1 3.74Å; T21-F47 HydrophobicContact CG2-CE1 3.64Å; T21-F47 HydrophobicContact CG2-CG 4.44Å; T21-F47 HydrophobicContact CG2-CZ 4.29Å; N26-F47 HydrophobicContact CB-CD2 3.87Å; N26-F47 HydrophobicContact CB-CE2 4.27Å; F30-F47 WeakPolarHBondContact CB-O 3.22Å; F30-F47 PolarHBondContact N-O 3.44Å; P37-F47 HydrophobicContact CB-CB 3.88Å; P37-F47 HydrophobicContact CG-CB 3.8Å; Y39-F47 WeakPolarHBondContact O-CA 3.37Å; A40-F47 HydrophobicContact CB-CD1 4.07Å; A40-F47 HydrophobicContact CB-CE1 4.12Å; F47-I68 HydrophobicContact CD1-CD1 3.84Å; F47-I68 HydrophobicContact CE1-CD1 4.39Å; F47-L81 HydrophobicContact CE1-CD1 4.23Å; F47-L81 HydrophobicContact CE1-CD2 4.41Å; F47-L81 HydrophobicContact CE2-CD2 4.46Å; F47-L81 HydrophobicContact CZ-CB 4.39Å; F47-L81 HydrophobicContact CZ-CD1 4.14Å; F47-L81 HydrophobicContact CZ-CD2 4.09Å; F47-L81 HydrophobicContact CZ-CG 4.46Å; F47-N86 PolarHBondContact N-OD1 2.8Å
48V97.4Very high96.3Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-136.9155.5-169.9-600000112.3C29 F30 D31 P37 T38 Y39 C52 L56C29-V48 VanDerWaalsContact SG-CA 3.6Å; F30-V48 HydrophobicContact CB-CG1 4.22Å; D31-V48 WeakPolarHBondContact OD2-CG1 3.29Å; P37-V48 CarbonylContact C-O 3.59Å; P37-V48 WeakPolarHBondContact CA-O 3.45Å; P37-V48 WeakPolarHBondContact CB-O 3.28Å; T38-V48 PolarHBondContact N-O 2.88Å; Y39-V48 PolarHBondContact N-O 3.44Å; Y39-V48 PolarHBondContact O-N 2.89Å; Y39-V48 VanDerWaalsContact O-O 3.13Å; V48-C52 HydrophobicContact CB-CB 4.34Å; V48-L56 HydrophobicContact CB-CD1 4.39Å; V48-L56 HydrophobicContact CG1-CD1 4.07Å; V48-L56 HydrophobicContact CG2-CD1 3.99Å
49C96.3Very high96.2Very high4 Ų427.2 Ų27.23%0.02717%0.165CC..  trans-79.8168.517577.60000112C29 Q34 S51 C52 S53C29-C49 HydrophobicContact CB-CB 4.11Å; C29-C49 PolarHBondContact SG-N 2.98Å; Q34-C49 PolarHBondContact OE1-SG 3.47Å; C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.29Å; C49-C52 PolarHBondContact O-N 2.92Å; C49-S53 WeakPolarHBondContact O-CB 3.49Å; C49-S53 PolarHBondContact O-N 3.19Å
50T95.8Very high96Very high81 Ų8131.2 Ų31.250%0.49719%0.19SC..Hα-helixtrans-53.3-43.4-179.4-48.70000112.7T38 Y39 S53 G54T38-T50 PolarHBondContact OG1-N 3.26Å; T38-T50 VanDerWaalsContact OG1-N 3.11Å; T38-T50 PolarHBondContact OG1-OG1 3.03Å; Y39-T50 HydrophobicContact CE2-CG2 3.87Å; T50-S53 WeakPolarHBondContact O-CB 3.29Å; T50-S53 PolarHBondContact O-N 3.13Å; T50-S53 PolarHBondContact O-OG 2.94Å; T50-G54 PolarHBondContact O-N 3.11Å
51S94.7Very high95.8Very high67 Ų6736 Ų3647%0.46922%0.221SC..Hα-helixtrans-62.5-56.1-179.1-175.30000112C49 S53 G54 I55C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.29Å; S51-S53 PolarHBondContact O-N 3.3Å; S51-G54 PolarHBondContact O-N 3.13Å; S51-I55 PolarHBondContact O-N 3.26Å
52C95.4Very high95.7Very high2 Ų240 Ų401%0.01425%0.247CC..Hα-helixtrans-60.6-34.2177.2-60.20000111.7D31 V48 C49 G54 I55 L56D31-C52 HydrophobicContact CB-CB 3.93Å; V48-C52 HydrophobicContact CB-CB 4.34Å; C49-C52 PolarHBondContact O-N 2.92Å; C52-G54 PolarHBondContact O-N 2.95Å; C52-I55 PolarHBondContact O-N 3.41Å; C52-L56 VanDerWaalsContact O-CB 3.24Å; C52-L56 WeakPolarHBondContact O-CB 3.28Å; C52-L56 WeakPolarHBondContact O-CD1 3.37Å; C52-L56 WeakPolarHBondContact O-CG 3.47Å; C52-L56 PolarHBondContact O-N 3.07Å
53S96.4Very high95.7Very high5 Ų540 Ų404%0.03525%0.247CC..Hα-helixtrans-61.3-30.9174.688.70000113.4C49 T50 S51 R57 V65C49-S53 WeakPolarHBondContact O-CB 3.49Å; C49-S53 PolarHBondContact O-N 3.19Å; T50-S53 WeakPolarHBondContact O-CB 3.29Å; T50-S53 PolarHBondContact O-N 3.13Å; T50-S53 PolarHBondContact O-OG 2.94Å; S51-S53 PolarHBondContact O-N 3.3Å; S53-R57 WeakPolarHBondContact O-CG 3.3Å; S53-V65 WeakPolarHBondContact O-CG2 3.29Å
54G95.7Very high95.8Very high44 Ų4442.7 Ų42.745%0.45425%0.248SC..Hα-helixtrans-71.7-47.3172.700000112T50 S51 C52 L56 R57T50-G54 PolarHBondContact O-N 3.11Å; S51-G54 PolarHBondContact O-N 3.13Å; C52-G54 PolarHBondContact O-N 2.95Å; G54-L56 PolarHBondContact O-N 3.2Å; G54-R57 WeakPolarHBondContact O-CB 3.23Å; G54-R57 PolarHBondContact O-N 2.92Å
55I95.7Very high95.8Very high22 Ų2242.8 Ų42.811%0.11325%0.249CC..Hα-helixtrans-62.6-43.4179.7-59.2172.1000111.1S51 C52 R57 G58 L59 P110 V113 K114 L117S51-I55 PolarHBondContact O-N 3.26Å; C52-I55 PolarHBondContact O-N 3.41Å; I55-R57 PolarHBondContact O-N 3.45Å; I55-G58 CarbonylContact O-C 3.53Å; I55-G58 WeakPolarHBondContact O-CA 3.44Å; I55-G58 PolarHBondContact O-N 2.92Å; I55-L59 PolarHBondContact O-N 2.79Å; I55-P110 HydrophobicContact CD1-CB 4.43Å; I55-V113 HydrophobicContact CD1-CB 3.89Å; I55-V113 HydrophobicContact CD1-CG1 3.6Å; I55-K114 HydrophobicContact CG2-CB 3.8Å; I55-K114 HydrophobicContact CG2-CG 4.02Å; I55-L117 HydrophobicContact CB-CD2 4.06Å; I55-L117 HydrophobicContact CG2-CB 4.44Å; I55-L117 HydrophobicContact CG2-CD2 3.65Å
56L96.1Very high95.9Very high0 Ų044.4 Ų44.40%026%0.256CS..Hα-helixtrans-57.6-28.3176.2-80.1170000114V48 C52 G54 G58 L59 H63 V65 L117 Y121V48-L56 HydrophobicContact CB-CD1 4.39Å; V48-L56 HydrophobicContact CG1-CD1 4.07Å; V48-L56 HydrophobicContact CG2-CD1 3.99Å; C52-L56 VanDerWaalsContact O-CB 3.24Å; C52-L56 WeakPolarHBondContact O-CB 3.28Å; C52-L56 WeakPolarHBondContact O-CD1 3.37Å; C52-L56 WeakPolarHBondContact O-CG 3.47Å; C52-L56 PolarHBondContact O-N 3.07Å; G54-L56 PolarHBondContact O-N 3.2Å; L56-G58 VanDerWaalsContact C-N 3.34Å; L56-L59 HydrophobicContact CD2-CD1 3.9Å; L56-H63 HydrophobicContact CB-CB 4.1Å; L56-H63 HydrophobicContact CD2-CB 4.25Å; L56-H63 PolarHBondContact O-N 3.3Å; L56-V65 HydrophobicContact CB-CG1 4.15Å; L56-V65 HydrophobicContact CD1-CG1 3.99Å; L56-L117 HydrophobicContact CD2-CD2 4.07Å; L56-L117 HydrophobicContact CG-CD2 4Å; L56-Y121 HydrophobicContact CD2-CD2 4.02Å; L56-Y121 HydrophobicContact CD2-CE2 3.7Å
57R96.3Very high95.8Very high143 Ų14345 Ų4554%0.5426%0.259SS..THydrogen-bonded Turntrans-79.3-16.6173.8-69.6169.8175.8-160.8-3.9113.3S53 G54 I55 P62 V65S53-R57 WeakPolarHBondContact O-CG 3.3Å; G54-R57 WeakPolarHBondContact O-CB 3.23Å; G54-R57 PolarHBondContact O-N 2.92Å; I55-R57 PolarHBondContact O-N 3.45Å; R57-P62 WeakPolarHBondContact O-CB 3.35Å; R57-V65 HydrophobicContact CG-CG2 3.82Å; R57-V65 PolarHBondContact NH2-O 3.28Å; R57-V65 VanDerWaalsContact NH2-O 3.1Å
58G94.1Very high95.7Very high48 Ų4846.1 Ų46.150%0.49527%0.265SS..THydrogen-bonded Turntrans-100.59.3177.200000114.4I55 L56I55-G58 CarbonylContact O-C 3.53Å; I55-G58 WeakPolarHBondContact O-CA 3.44Å; I55-G58 PolarHBondContact O-N 2.92Å; L56-G58 VanDerWaalsContact C-N 3.34Å
59L94.4Very high95.4Very high7 Ų751 Ų514%0.03730%0.299CS..SBendtrans-82163.9166.2-59.2-177.6000110.6I55 L56 P61 P62 L117 Q118 Y121 E122I55-L59 PolarHBondContact O-N 2.79Å; L56-L59 HydrophobicContact CD2-CD1 3.9Å; L59-P61 CarbonylContact O-C 3.56Å; L59-P62 VanDerWaalsContact O-CA 3.24Å; L59-P62 WeakPolarHBondContact O-CA 3.36Å; L59-P62 VanDerWaalsContact O-N 3.15Å; L59-L117 HydrophobicContact CD1-CB 4.29Å; L59-L117 HydrophobicContact CD2-CB 4.2Å; L59-Q118 HydrophobicContact CD2-CG 3.6Å; L59-Y121 HydrophobicContact CD1-CD2 3.94Å; L59-Y121 HydrophobicContact CD1-CG 4.45Å; L59-E122 VanDerWaalsContact CA-OE1 3.32Å; L59-E122 WeakPolarHBondContact CA-OE1 3.36Å; L59-E122 WeakPolarHBondContact CB-OE1 3.46Å
60N92.9Very high95.2Very high132 Ų13258.3 Ų58.371%0.70634%0.335SS*.SBendtrans-126109.8175.8-171.624.4000111.3E122N60-E122 PolarHBondContact N-OE1 2.78Å
61P93.9Very high95.2Very high100 Ų10056.5 Ų56.565%0.64932%0.324SS*.SBendcis-73.1150.42.630.5-36.1000113.4L59L59-P61 CarbonylContact O-C 3.56Å
62P95.3Very high95.1Very high84 Ų8457.3 Ų57.355%0.54533%0.326SS..PPolyproline II helixtrans-72.4133.1-176.828.8-35.6000112.1R57 L59R57-P62 WeakPolarHBondContact O-CB 3.35Å; L59-P62 VanDerWaalsContact O-CA 3.24Å; L59-P62 WeakPolarHBondContact O-CA 3.36Å; L59-P62 VanDerWaalsContact O-N 3.15Å
63H96.9Very high95.1Very high18 Ų1857.5 Ų57.58%0.08333%0.327CS..PPolyproline II helixtrans-77.6136.3-179.2-75.5-119.5000112.5N41 L56 V65 Y121N41-H63 PolarHBondContact ND2-ND1 3.41Å; N41-H63 PolarHBondContact OD1-ND1 3.1Å; L56-H63 HydrophobicContact CB-CB 4.1Å; L56-H63 HydrophobicContact CD2-CB 4.25Å; L56-H63 PolarHBondContact O-N 3.3Å; H63-V65 HydrophobicContact CB-CG1 4.46Å; H63-V65 PolarHBondContact O-N 3.12Å; H63-Y121 AromaticContact CE1-CD1 3.73Å; H63-Y121 AromaticContact CE1-CG 3.87Å; H63-Y121 AromaticContact NE2-CG 3.85Å
64R96.8Very high95.1Very high132 Ų13260.5 Ų60.550%0.49835%0.345SS..  trans-80.585-177-176179.7177.2-101.5-3.7110.8M42 T43 E77M42-R64 WeakPolarHBondContact CA-O 3.49Å; M42-R64 HydrophobicContact CB-CB 4.22Å; M42-R64 HydrophobicContact CB-CG 4.06Å; M42-R64 WeakPolarHBondContact CB-O 3.38Å; M42-R64 HydrophobicContact CG-CG 4.38Å; M42-R64 VanDerWaalsContact CG-O 3.3Å; M42-R64 WeakPolarHBondContact CG-O 3.31Å; M42-R64 PolarHBondContact N-O 3.24Å; T43-R64 PolarHBondContact OG1-N 2.8Å; R64-E77 IonicContact CZ-OE1 2.66Å; R64-E77 VanDerWaalsContact CZ-OE1 3.25Å; R64-E77 IonicContact NH1-OE1 2.73Å; R64-E77 PolarHBondContact NH1-OE1 3.2Å; R64-E77 IonicContact NH2-OE1 3.32Å; R64-E77 PolarHBondContact NH2-OE1 3.3Å
65V97.4Very high95Very high10 Ų1060.9 Ų60.96%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-97.6129.1-179-56.40000113.5A40 N41 S53 L56 R57 H63A40-V65 WeakPolarHBondContact O-CA 3.21Å; N41-V65 HydrophobicContact CB-CG1 4.11Å; S53-V65 WeakPolarHBondContact O-CG2 3.29Å; L56-V65 HydrophobicContact CB-CG1 4.15Å; L56-V65 HydrophobicContact CD1-CG1 3.99Å; R57-V65 HydrophobicContact CG-CG2 3.82Å; R57-V65 PolarHBondContact NH2-O 3.28Å; R57-V65 VanDerWaalsContact NH2-O 3.1Å; H63-V65 HydrophobicContact CB-CG1 4.46Å; H63-V65 PolarHBondContact O-N 3.12Å
66K96.9Very high95.1Very high34 Ų3467.2 Ų67.215%0.14836%0.364CS..EExtended strand (participates in β ladder)trans-109.5144.5177.8-75.5-170.1163.1-165.70111.3Y39 A40 M42 T71 T72 F73 E77Y39-K66 CarbonylContact C-O 3.33Å; Y39-K66 WeakPolarHBondContact CA-O 3.33Å; Y39-K66 WeakPolarHBondContact CB-O 3.35Å; Y39-K66 WeakPolarHBondContact CD1-O 3.32Å; A40-K66 PolarHBondContact N-O 3.31Å; A40-K66 PolarHBondContact O-N 3.38Å; M42-K66 HydrophobicContact CG-CB 4.44Å; M42-K66 HydrophobicContact CG-CD 4.04Å; M42-K66 HydrophobicContact CG-CG 3.93Å; M42-K66 HydrophobicContact SD-CD 3.92Å; M42-K66 HydrophobicContact SD-CG 4.34Å; K66-T71 HydrophobicContact CB-CG2 4.21Å; K66-T71 HydrophobicContact CD-CG2 3.7Å; K66-T71 HydrophobicContact CG-CG2 3.96Å; K66-T72 PolarHBondContact NZ-O 3.39Å; K66-T72 VanDerWaalsContact NZ-O 3.12Å; K66-F73 HydrophobicContact CB-CE1 3.73Å; K66-F73 HydrophobicContact CB-CZ 3.7Å; K66-F73 HydrophobicContact CD-CD1 3.92Å; K66-F73 HydrophobicContact CD-CE1 3.67Å; K66-F73 HydrophobicContact CD-CZ 4.22Å; K66-F73 HydrophobicContact CG-CE1 4.32Å; K66-E77 WeakPolarHBondContact CE-OE1 3.33Å; K66-E77 IonicContact NZ-OE1 2.81Å; K66-E77 PolarHBondContact NZ-OE1 2.67Å; K66-E77 IonicContact NZ-OE2 2.79Å; K66-E77 PolarHBondContact NZ-OE2 3.16Å
67S96.3Very high95.1Very high11 Ų1168.1 Ų68.18%0.07737%0.368CS..EExtended strand (participates in β ladder)trans-74.4134.6172164.60000110.7S69 M70 T71 F73S67-S69 VanDerWaalsContact C-N 3.35Å; S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-OG 2.79Å; S67-M70 WeakPolarHBondContact OG-CB 3.43Å; S67-M70 PolarHBondContact OG-N 3.3Å; S67-T71 PolarHBondContact N-OG1 3.42Å; S67-T71 VanDerWaalsContact O-CB 3.25Å; S67-T71 WeakPolarHBondContact O-CB 3.18Å; S67-T71 PolarHBondContact O-N 2.98Å; S67-T71 PolarHBondContact O-OG1 2.87Å; S67-F73 WeakPolarHBondContact O-CE2 3.44Å
68I94.8Very high95.1Very high25 Ų2561.3 Ų61.313%0.12834%0.342CS..THydrogen-bonded Turntrans-68.2-34.8-177.2-67.2171.5000111.7L17 T21 P37 T38 A40 F47L17-I68 HydrophobicContact CD2-CB 4.48Å; L17-I68 HydrophobicContact CD2-CG2 3.85Å; L17-I68 HydrophobicContact CG-CG2 4.04Å; T21-I68 HydrophobicContact CG2-CD1 4Å; P37-I68 WeakPolarHBondContact O-CD1 3.43Å; T38-I68 WeakPolarHBondContact O-CB 3.27Å; T38-I68 WeakPolarHBondContact O-CG1 3.5Å; T38-I68 PolarHBondContact O-N 3.48Å; A40-I68 HydrophobicContact CB-CG1 4.34Å; F47-I68 HydrophobicContact CD1-CD1 3.84Å; F47-I68 HydrophobicContact CE1-CD1 4.39Å
69S91.6Very high95.2Very high102 Ų10262.3 Ų62.371%0.71333%0.334SS*.THydrogen-bonded Turntrans-95-25.9-176.653.90000114.2S67S67-S69 VanDerWaalsContact C-N 3.35Å; S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-OG 2.79Å
70M92.8Very high95.3Very high158 Ų15865.1 Ų65.178%0.77835%0.346SS*.THydrogen-bonded Turntrans-106-10.5-171.5-55.7172.873.300114.4S67S67-M70 WeakPolarHBondContact OG-CB 3.43Å; S67-M70 PolarHBondContact OG-N 3.3Å
71T94.4Very high95.4Very high43 Ų4358.9 Ų58.926%0.26431%0.313SS..  trans-110.3132.9-173.5-300000111.7K66 S67 F73K66-T71 HydrophobicContact CB-CG2 4.21Å; K66-T71 HydrophobicContact CD-CG2 3.7Å; K66-T71 HydrophobicContact CG-CG2 3.96Å; S67-T71 PolarHBondContact N-OG1 3.42Å; S67-T71 VanDerWaalsContact O-CB 3.25Å; S67-T71 WeakPolarHBondContact O-CB 3.18Å; S67-T71 PolarHBondContact O-N 2.98Å; S67-T71 PolarHBondContact O-OG1 2.87Å; T71-F73 WeakPolarHBondContact O-CD2 3.3Å; T71-F73 WeakPolarHBondContact O-CE2 3.47Å; T71-F73 PolarHBondContact O-N 2.91Å
72T93.3Very high95.5Very high84 Ų8458.9 Ų58.952%0.51530%0.304SS..PPolyproline II helixtrans-69125.4161.5-57.20000109.4E10 K66E10-T72 HydrophobicContact CG-CG2 3.96Å; E10-T72 VanDerWaalsContact OE1-CG2 3.25Å; E10-T72 WeakPolarHBondContact OE1-CG2 3.46Å; E10-T72 PolarHBondContact OE1-OG1 3.15Å; K66-T72 PolarHBondContact NZ-O 3.39Å; K66-T72 VanDerWaalsContact NZ-O 3.12Å
73F95.4Very high95.4Very high6 Ų661.9 Ų61.93%0.02631%0.309CS..PPolyproline II helixtrans-95.5145171.2-67.4-96000109.9H13 L17 A40 M42 K66 S67 T71 E77 I78 L81H13-F73 PolarHBondContact ND1-O 3.2Å; L17-F73 HydrophobicContact CD2-CD2 3.62Å; L17-F73 HydrophobicContact CD2-CE2 3.43Å; L17-F73 VanDerWaalsContact CD2-CE2 3.43Å; L17-F73 HydrophobicContact CD2-CG 4.43Å; L17-F73 HydrophobicContact CD2-CZ 4.09Å; A40-F73 HydrophobicContact CB-CE1 4.3Å; A40-F73 HydrophobicContact CB-CZ 4.41Å; M42-F73 HydrophobicContact CE-CD1 4.41Å; M42-F73 HydrophobicContact CE-CE1 3.84Å; M42-F73 HydrophobicContact SD-CD1 4.04Å; M42-F73 HydrophobicContact SD-CE1 3.85Å; K66-F73 HydrophobicContact CB-CE1 3.73Å; K66-F73 HydrophobicContact CB-CZ 3.7Å; K66-F73 HydrophobicContact CD-CD1 3.92Å; K66-F73 HydrophobicContact CD-CE1 3.67Å; K66-F73 HydrophobicContact CD-CZ 4.22Å; K66-F73 HydrophobicContact CG-CE1 4.32Å; S67-F73 WeakPolarHBondContact O-CE2 3.44Å; T71-F73 WeakPolarHBondContact O-CD2 3.3Å; T71-F73 WeakPolarHBondContact O-CE2 3.47Å; T71-F73 PolarHBondContact O-N 2.91Å; F73-E77 WeakPolarHBondContact CA-OE2 3.25Å; F73-E77 HydrophobicContact CB-CB 4.47Å; F73-E77 HydrophobicContact CD1-CB 4.28Å; F73-I78 HydrophobicContact CB-CD1 3.78Å; F73-I78 HydrophobicContact CB-CG1 4.04Å; F73-I78 HydrophobicContact CG-CD1 4.2Å; F73-L81 HydrophobicContact CE1-CD1 4.49Å
74T95.5Very high95.3Very high67 Ų6763.7 Ų63.741%0.41132%0.317SS..PPolyproline II helixtrans-79.6162.3169.473.70000110.6Q76 E77 I78T74-Q76 VanDerWaalsContact C-N 3.26Å; T74-Q76 PolarHBondContact O-N 2.89Å; T74-E77 PolarHBondContact N-OE2 3.25Å; T74-E77 PolarHBondContact O-N 2.81Å; T74-E77 VanDerWaalsContact O-N 3.13Å; T74-E77 WeakPolarHBondContact OG1-CG 3.15Å; T74-E77 PolarHBondContact OG1-N 3.22Å; T74-I78 PolarHBondContact O-N 3.02Å
75Q94.8Very high95.2Very high52 Ų5257.7 Ų57.724%0.24330%0.297CS..Hα-helixtrans-59.3-39.3176.7177.259.352.100111.1H13 E77 I78 E79H13-Q75 PolarHBondContact CE1-N 2.93Å; H13-Q75 VanDerWaalsContact CE1-N 3.3Å; H13-Q75 PolarHBondContact NE2-OE1 2.84Å; Q75-E77 PolarHBondContact O-N 3.26Å; Q75-I78 PolarHBondContact O-N 2.84Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.28Å; Q75-E79 PolarHBondContact NE2-OE1 3.28Å; Q75-E79 WeakPolarHBondContact O-CG 3.47Å; Q75-E79 PolarHBondContact O-N 3.47Å
76Q96.4Very high95.1Very high156 Ų15657.6 Ų57.673%0.72930%0.295SS*.Hα-helixtrans-61.6-40.3173.7-67.9173.4-19.200112.9T74 E79 F80T74-Q76 VanDerWaalsContact C-N 3.26Å; T74-Q76 PolarHBondContact O-N 2.89Å; Q76-E79 PolarHBondContact O-N 3.47Å; Q76-F80 VanDerWaalsContact O-CB 3.31Å; Q76-F80 WeakPolarHBondContact O-CB 3.12Å; Q76-F80 PolarHBondContact O-N 3.25Å
77E96.6Very high95Very high18 Ų1860.3 Ų60.38%0.08431%0.309CS..Hα-helixtrans-69.3-34.2177.8-71.4172.1148.600112.1M42 R64 K66 F73 T74 Q75 L81M42-E77 HydrophobicContact SD-CB 4.15Å; M42-E77 HydrophobicContact SD-CG 4.15Å; R64-E77 IonicContact CZ-OE1 2.66Å; R64-E77 VanDerWaalsContact CZ-OE1 3.25Å; R64-E77 IonicContact NH1-OE1 2.73Å; R64-E77 PolarHBondContact NH1-OE1 3.2Å; R64-E77 IonicContact NH2-OE1 3.32Å; R64-E77 PolarHBondContact NH2-OE1 3.3Å; K66-E77 WeakPolarHBondContact CE-OE1 3.33Å; K66-E77 IonicContact NZ-OE1 2.81Å; K66-E77 PolarHBondContact NZ-OE1 2.67Å; K66-E77 IonicContact NZ-OE2 2.79Å; K66-E77 PolarHBondContact NZ-OE2 3.16Å; F73-E77 WeakPolarHBondContact CA-OE2 3.25Å; F73-E77 HydrophobicContact CB-CB 4.47Å; F73-E77 HydrophobicContact CD1-CB 4.28Å; T74-E77 PolarHBondContact N-OE2 3.25Å; T74-E77 PolarHBondContact O-N 2.81Å; T74-E77 VanDerWaalsContact O-N 3.13Å; T74-E77 WeakPolarHBondContact OG1-CG 3.15Å; T74-E77 PolarHBondContact OG1-N 3.22Å; Q75-E77 PolarHBondContact O-N 3.26Å; E77-L81 WeakPolarHBondContact O-CG 3.33Å; E77-L81 PolarHBondContact O-N 2.8Å; E77-L81 VanDerWaalsContact O-N 3.1Å
78I96.2Very high94.9Very high0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-67.3-46.1172.3-63.6-63.5000110.9H13 M16 L17 M20 F73 T74 Q75 F80 L81 Q82H13-I78 HydrophobicContact CB-CD1 4.36Å; H13-I78 HydrophobicContact CB-CG1 4.02Å; M16-I78 HydrophobicContact CB-CG2 3.85Å; M16-I78 HydrophobicContact CE-CG2 3.95Å; M16-I78 HydrophobicContact SD-CG2 4.24Å; L17-I78 HydrophobicContact CB-CD1 4.08Å; L17-I78 HydrophobicContact CD1-CD1 4.27Å; M20-I78 HydrophobicContact CE-CD1 4.2Å; M20-I78 HydrophobicContact CE-CG2 3.96Å; F73-I78 HydrophobicContact CB-CD1 3.78Å; F73-I78 HydrophobicContact CB-CG1 4.04Å; F73-I78 HydrophobicContact CG-CD1 4.2Å; T74-I78 PolarHBondContact O-N 3.02Å; Q75-I78 PolarHBondContact O-N 2.84Å; I78-F80 VanDerWaalsContact C-N 3.32Å; I78-F80 PolarHBondContact O-N 3.49Å; I78-L81 PolarHBondContact O-N 3.03Å; I78-Q82 HydrophobicContact CG2-CG 4.42Å; I78-Q82 WeakPolarHBondContact O-CG 3.48Å; I78-Q82 PolarHBondContact O-N 3.3Å
79E96.1Very high94.9Very high69 Ų6961.6 Ų61.632%0.32232%0.317SS..Hα-helixtrans-63.8-36.1176.9-75.2171.2-14300112.9Q75 Q76 Q82 K83Q75-E79 WeakPolarHBondContact CG-OE1 3.28Å; Q75-E79 PolarHBondContact NE2-OE1 3.28Å; Q75-E79 WeakPolarHBondContact O-CG 3.47Å; Q75-E79 PolarHBondContact O-N 3.47Å; Q76-E79 PolarHBondContact O-N 3.47Å; E79-Q82 PolarHBondContact O-N 2.98Å; E79-K83 WeakPolarHBondContact O-CB 3.46Å; E79-K83 WeakPolarHBondContact O-CD 3.46Å; E79-K83 VanDerWaalsContact O-CG 3.28Å; E79-K83 WeakPolarHBondContact O-CG 3.49Å; E79-K83 PolarHBondContact O-N 2.85Å; E79-K83 IonicContact OE2-NZ 2.72Å
80F96.7Very high94.9Very high66 Ų6660.4 Ų60.429%0.28930%0.299SS..Hα-helixtrans-61.3-46.5173174.9-101.8000111.1M42 Q76 I78 K83 H84M42-F80 WeakPolarHBondContact O-CE1 3.27Å; Q76-F80 VanDerWaalsContact O-CB 3.31Å; Q76-F80 WeakPolarHBondContact O-CB 3.12Å; Q76-F80 PolarHBondContact O-N 3.25Å; I78-F80 VanDerWaalsContact C-N 3.32Å; I78-F80 PolarHBondContact O-N 3.49Å; F80-K83 PolarHBondContact O-N 3.42Å; F80-H84 AromaticContact CD2-CE1 3.57Å; F80-H84 AromaticContact CD2-ND1 3.79Å; F80-H84 AromaticContact CE2-CE1 3.28Å; F80-H84 WeakPolarHBondContact CE2-CE1 3.35Å; F80-H84 AromaticContact CE2-ND1 3.72Å; F80-H84 AromaticContact CE2-NE2 3.89Å; F80-H84 AromaticContact CZ-CE1 3.97Å; F80-H84 PolarHBondContact O-N 3.05Å; F80-H84 PolarHBondContact O-ND1 3.5Å
81L96.4Very high94.9Very high1 Ų155.8 Ų55.81%0.00528%0.276CS..Hα-helixtrans-62.1-42.6174.2-73.5173.1000112.4L17 M20 A40 M42 F47 F73 E77 I78 K83 H84 G85L17-L81 HydrophobicContact CD1-CD1 3.76Å; M20-L81 HydrophobicContact CE-CB 3.73Å; M20-L81 HydrophobicContact CE-CD1 4.02Å; M20-L81 HydrophobicContact SD-CB 3.55Å; M20-L81 VanDerWaalsContact SD-CB 3.55Å; A40-L81 HydrophobicContact CB-CD1 4.14Å; A40-L81 HydrophobicContact CB-CD2 4.1Å; M42-L81 HydrophobicContact CE-CD1 3.99Å; M42-L81 HydrophobicContact CE-CD2 3.8Å; M42-L81 HydrophobicContact CE-CG 3.97Å; F47-L81 HydrophobicContact CE1-CD1 4.23Å; F47-L81 HydrophobicContact CE1-CD2 4.41Å; F47-L81 HydrophobicContact CE2-CD2 4.46Å; F47-L81 HydrophobicContact CZ-CB 4.39Å; F47-L81 HydrophobicContact CZ-CD1 4.14Å; F47-L81 HydrophobicContact CZ-CD2 4.09Å; F47-L81 HydrophobicContact CZ-CG 4.46Å; F73-L81 HydrophobicContact CE1-CD1 4.49Å; E77-L81 WeakPolarHBondContact O-CG 3.33Å; E77-L81 PolarHBondContact O-N 2.8Å; E77-L81 VanDerWaalsContact O-N 3.1Å; I78-L81 PolarHBondContact O-N 3.03Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 3.37Å; L81-H84 CarbonylContact O-C 3.6Å; L81-H84 PolarHBondContact O-N 3.05Å; L81-H84 VanDerWaalsContact O-N 3.13Å; L81-G85 PolarHBondContact O-N 3.25Å; L81-G85 VanDerWaalsContact O-N 3.07Å
82Q94.7Very high94.9Very high101 Ų10154.3 Ų54.347%0.47227%0.266SS..Hα-helixtrans-61.9-34.7179.2-74.9179.2-4.700112.6M20 I78 E79 H84M20-Q82 HydrophobicContact CE-CG 4.2Å; M20-Q82 HydrophobicContact CG-CG 4.04Å; M20-Q82 HydrophobicContact SD-CB 4.12Å; M20-Q82 HydrophobicContact SD-CG 3.38Å; M20-Q82 WeakPolarHBondContact SD-CG 3.25Å; M20-Q82 PolarHBondContact SD-N 3.36Å; M20-Q82 VanDerWaalsContact SD-N 3.39Å; I78-Q82 HydrophobicContact CG2-CG 4.42Å; I78-Q82 WeakPolarHBondContact O-CG 3.48Å; I78-Q82 PolarHBondContact O-N 3.3Å; E79-Q82 PolarHBondContact O-N 2.98Å; Q82-H84 VanDerWaalsContact C-N 3.29Å; Q82-H84 PolarHBondContact O-N 3.06Å
83K94.3Very high94.9Very high146 Ų14651.9 Ų51.964%0.63525%0.248SC*.THydrogen-bonded Turntrans-79.3-7.9178.4-69.7164.9-174.8165.50113.9E79 F80 L81E79-K83 WeakPolarHBondContact O-CB 3.46Å; E79-K83 WeakPolarHBondContact O-CD 3.46Å; E79-K83 VanDerWaalsContact O-CG 3.28Å; E79-K83 WeakPolarHBondContact O-CG 3.49Å; E79-K83 PolarHBondContact O-N 2.85Å; E79-K83 IonicContact OE2-NZ 2.72Å; F80-K83 PolarHBondContact O-N 3.42Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 3.37Å
84H93.7Very high94.7Very high57 Ų5752.6 Ų52.626%0.26425%0.252SS..SBendtrans-122.3-92.1179.8-63.780.5000110.7F80 L81 Q82 V88F80-H84 AromaticContact CD2-CE1 3.57Å; F80-H84 AromaticContact CD2-ND1 3.79Å; F80-H84 AromaticContact CE2-CE1 3.28Å; F80-H84 WeakPolarHBondContact CE2-CE1 3.35Å; F80-H84 AromaticContact CE2-ND1 3.72Å; F80-H84 AromaticContact CE2-NE2 3.89Å; F80-H84 AromaticContact CZ-CE1 3.97Å; F80-H84 PolarHBondContact O-N 3.05Å; F80-H84 PolarHBondContact O-ND1 3.5Å; L81-H84 CarbonylContact O-C 3.6Å; L81-H84 PolarHBondContact O-N 3.05Å; L81-H84 VanDerWaalsContact O-N 3.13Å; Q82-H84 VanDerWaalsContact C-N 3.29Å; Q82-H84 PolarHBondContact O-N 3.06Å; H84-V88 WeakPolarHBondContact O-CB 3.43Å; H84-V88 VanDerWaalsContact O-CG2 3.24Å; H84-V88 WeakPolarHBondContact O-CG2 3.44Å
85G94.6Very high94.4Very high6 Ų651 Ų516%0.06225%0.248CC..Hα-helixtrans66.2175.4-170.300000112.7G45 L81 E87 C89G45-G85 WeakPolarHBondContact O-CA 3.5Å; G45-G85 PolarHBondContact O-N 3.4Å; L81-G85 PolarHBondContact O-N 3.25Å; L81-G85 VanDerWaalsContact O-N 3.07Å; G85-E87 VanDerWaalsContact C-N 3.26Å; G85-E87 PolarHBondContact O-N 3.24Å; G85-C89 VanDerWaalsContact O-CB 3.29Å; G85-C89 WeakPolarHBondContact O-CB 3.42Å; G85-C89 PolarHBondContact O-N 2.68Å; G85-C89 PolarHBondContact O-SG 2.74Å
86N95.8Very high94Very high7 Ų754.3 Ų54.34%0.03727%0.267CS..Hα-helixtrans-65.8-27.3-174.1-71.70.6000113.5P25 N26 K28 F30 S46 F47 K90P25-N86 HydrophobicContact CB-CB 4.23Å; P25-N86 VanDerWaalsContact O-CB 3.3Å; P25-N86 WeakPolarHBondContact O-CB 3.44Å; P25-N86 PolarHBondContact O-ND2 2.96Å; N26-N86 VanDerWaalsContact OD1-CB 3.29Å; N26-N86 WeakPolarHBondContact OD1-CB 3.44Å; N26-N86 PolarHBondContact OD1-N 3.26Å; K28-N86 PolarHBondContact O-ND2 3.03Å; F30-N86 HydrophobicContact CD2-CB 4.1Å; S46-N86 WeakPolarHBondContact CA-OD1 3.43Å; F47-N86 PolarHBondContact N-OD1 2.8Å; N86-K90 WeakPolarHBondContact O-CB 3.39Å; N86-K90 PolarHBondContact O-N 2.91Å
87E94.1Very high93.4Very high92 Ų9248.1 Ų48.143%0.4324%0.237SC..Hα-helixtrans-66.2-60.2179.6-171.153.5-126.200111.2P25 G85 C89 K90 Q91P25-E87 HydrophobicContact CB-CB 4.23Å; P25-E87 HydrophobicContact CG-CB 4.01Å; G85-E87 VanDerWaalsContact C-N 3.26Å; G85-E87 PolarHBondContact O-N 3.24Å; E87-C89 PolarHBondContact O-N 3.24Å; E87-K90 WeakPolarHBondContact O-CB 3.25Å; E87-K90 PolarHBondContact O-N 3.48Å; E87-Q91 PolarHBondContact O-N 3.19Å; E87-Q91 VanDerWaalsContact O-N 3.15Å; E87-Q91 PolarHBondContact OE1-NE2 2.66Å
88V93.9Very high92.6Very high63 Ų6350.3 Ų50.338%0.38225%0.249SC..Hα-helixtrans-60.6-36176.9-175.60000110.4H84 K90 Q91 I92H84-V88 WeakPolarHBondContact O-CB 3.43Å; H84-V88 VanDerWaalsContact O-CG2 3.24Å; H84-V88 WeakPolarHBondContact O-CG2 3.44Å; V88-K90 PolarHBondContact O-N 3.17Å; V88-Q91 PolarHBondContact O-N 2.79Å; V88-I92 HydrophobicContact CG1-CD1 3.81Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 2.82Å
89C95.1Very high91.6Very high0 Ų054.9 Ų54.90%027%0.273CS..Hα-helixtrans-64.1-34.5173.2-66.50000113.1F30 V44 G85 E87 I92 W93F30-C89 HydrophobicContact CD1-CB 4.37Å; F30-C89 HydrophobicContact CD2-CB 4.17Å; F30-C89 HydrophobicContact CE1-CB 3.9Å; F30-C89 HydrophobicContact CE2-CB 3.71Å; F30-C89 HydrophobicContact CZ-CB 3.58Å; F30-C89 WeakPolarHBondContact CZ-O 3.46Å; V44-C89 HydrophobicContact CG1-CB 4.34Å; V44-C89 PolarHBondContact O-SG 3.41Å; V44-C89 VanDerWaalsContact O-SG 3.37Å; G85-C89 VanDerWaalsContact O-CB 3.29Å; G85-C89 WeakPolarHBondContact O-CB 3.42Å; G85-C89 PolarHBondContact O-N 2.68Å; G85-C89 PolarHBondContact O-SG 2.74Å; E87-C89 PolarHBondContact O-N 3.24Å; C89-I92 PolarHBondContact O-N 3.22Å; C89-W93 PolarHBondContact O-N 2.99Å
90K92.8Very high90.3Very high76 Ų7662.6 Ų62.633%0.3330%0.3SS..Hα-helixtrans-65-49174.9-169.3175.9-177.3176.60109.7F30 N86 E87 V88 I92 L94 G95 D99F30-K90 HydrophobicContact CE2-CB 4.1Å; N86-K90 WeakPolarHBondContact O-CB 3.39Å; N86-K90 PolarHBondContact O-N 2.91Å; E87-K90 WeakPolarHBondContact O-CB 3.25Å; E87-K90 PolarHBondContact O-N 3.48Å; V88-K90 PolarHBondContact O-N 3.17Å; K90-I92 PolarHBondContact O-N 2.83Å; K90-L94 HydrophobicContact CG-CB 3.97Å; K90-L94 HydrophobicContact CG-CD1 4.17Å; K90-L94 CarbonylContact O-C 3.58Å; K90-L94 VanDerWaalsContact O-CA 3.28Å; K90-L94 WeakPolarHBondContact O-CA 3.43Å; K90-L94 WeakPolarHBondContact O-CB 3.33Å; K90-L94 PolarHBondContact O-N 3.02Å; K90-G95 PolarHBondContact O-N 3.12Å; K90-D99 IonicContact NZ-OD2 2.7Å; K90-D99 PolarHBondContact NZ-OD2 3.36Å
91Q92.4Very high88.8Confident62 Ų6265 Ų6529%0.2932%0.32SS..Hα-helixtrans-61.1-29.1179.2-49.6-55.1-20.900112.9E87 V88 G95 A133 A137E87-Q91 PolarHBondContact O-N 3.19Å; E87-Q91 VanDerWaalsContact O-N 3.15Å; E87-Q91 PolarHBondContact OE1-NE2 2.66Å; V88-Q91 PolarHBondContact O-N 2.79Å; Q91-G95 WeakPolarHBondContact O-CA 3.29Å; Q91-A133 HydrophobicContact CB-CB 4.28Å; Q91-A137 HydrophobicContact CG-CB 4.48Å
92I94.3Very high87.5Confident12 Ų1266 Ų666%0.06233%0.327CS..Hα-helixtrans-84-56.5177.1-67.4168.4000112.6V88 C89 K90 Y127 V128 P130 A133V88-I92 HydrophobicContact CG1-CD1 3.81Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 2.82Å; C89-I92 PolarHBondContact O-N 3.22Å; K90-I92 PolarHBondContact O-N 2.83Å; I92-Y127 HydrophobicContact CG2-CD2 3.88Å; I92-Y127 HydrophobicContact CG2-CE2 3.48Å; I92-Y127 VanDerWaalsContact CG2-CE2 3.48Å; I92-Y127 CarbonylContact O-C 3.49Å; I92-Y127 WeakPolarHBondContact O-CA 3.23Å; I92-V128 PolarHBondContact O-N 3.46Å; I92-P130 HydrophobicContact CD1-CB 3.86Å; I92-P130 HydrophobicContact CG1-CB 4.24Å; I92-A133 HydrophobicContact CG1-CB 3.94Å
93W93.6Very high86.1Confident33 Ų3366.4 Ų66.413%0.12534%0.341CS..Hα-helixtrans-93.9-9.6-168.6-63.493.9000114.4F30 V44 C89 K120 Y121 K124 W126 Y127F30-W93 HydrophobicContact CE1-CB 4.27Å; F30-W93 HydrophobicContact CZ-CB 4.1Å; V44-W93 HydrophobicContact CG2-CZ2 4.07Å; C89-W93 PolarHBondContact O-N 2.99Å; W93-K120 HydrophobicContact CB-CG 4.39Å; W93-Y121 AromaticContact CD2-CD1 3.83Å; W93-Y121 HydrophobicContact CD2-CD1 3.83Å; W93-Y121 AromaticContact CD2-CE1 3.81Å; W93-Y121 HydrophobicContact CD2-CE1 3.81Å; W93-Y121 AromaticContact CE3-CD1 3.55Å; W93-Y121 HydrophobicContact CE3-CD1 3.55Å; W93-Y121 AromaticContact CE3-CE1 4Å; W93-Y121 HydrophobicContact CE3-CE1 4Å; W93-Y121 HydrophobicContact CG-CE1 4.08Å; W93-Y121 HydrophobicContact CH2-CD1 4.1Å; W93-Y121 HydrophobicContact CZ2-CD1 4.36Å; W93-Y121 AromaticContact CZ3-CD1 3.7Å; W93-Y121 HydrophobicContact CZ3-CD1 3.7Å; W93-K124 HydrophobicContact CZ3-CG 4.34Å; W93-W126 CarbonylContact C-O 3.2Å; W93-Y127 AromaticContact CD2-CD2 3.9Å; W93-Y127 HydrophobicContact CD2-CD2 3.9Å; W93-Y127 HydrophobicContact CD2-CE2 4.3Å; W93-Y127 AromaticContact CE3-CD2 3.59Å; W93-Y127 HydrophobicContact CE3-CD2 3.59Å; W93-Y127 HydrophobicContact CE3-CE2 4.26Å; W93-Y127 HydrophobicContact CH2-CD2 4.05Å; W93-Y127 AromaticContact CH2-CE2 3.99Å; W93-Y127 HydrophobicContact CH2-CE2 3.99Å; W93-Y127 HydrophobicContact CZ2-CD2 4.31Å; W93-Y127 HydrophobicContact CZ2-CE2 4.01Å; W93-Y127 AromaticContact CZ3-CD2 3.66Å; W93-Y127 HydrophobicContact CZ3-CD2 3.66Å; W93-Y127 HydrophobicContact CZ3-CE2 4.1Å
94L91Very high85.1Confident21 Ų2163.1 Ų63.111%0.1133%0.333CS..SBendtrans-133.520.5179.5-62.8172.7000110.3F30 K90 L96 Y97 F116 K120F30-L94 HydrophobicContact CE2-CD1 4.25Å; F30-L94 HydrophobicContact CZ-CD1 4.25Å; K90-L94 HydrophobicContact CG-CB 3.97Å; K90-L94 HydrophobicContact CG-CD1 4.17Å; K90-L94 CarbonylContact O-C 3.58Å; K90-L94 VanDerWaalsContact O-CA 3.28Å; K90-L94 WeakPolarHBondContact O-CA 3.43Å; K90-L94 WeakPolarHBondContact O-CB 3.33Å; K90-L94 PolarHBondContact O-N 3.02Å; L94-L96 PolarHBondContact O-N 2.94Å; L94-Y97 HydrophobicContact CB-CG 4.43Å; L94-Y97 HydrophobicContact CD2-CD1 4.28Å; L94-Y97 HydrophobicContact CD2-CD2 3.88Å; L94-Y97 HydrophobicContact CD2-CG 3.74Å; L94-Y97 VanDerWaalsContact O-CB 3.28Å; L94-Y97 WeakPolarHBondContact O-CB 3.22Å; L94-Y97 PolarHBondContact O-N 3.32Å; L94-F116 HydrophobicContact CD2-CZ 4.42Å; L94-K120 HydrophobicContact CD2-CD 4.25Å
95G88.4Confident84.2Confident32 Ų3261.2 Ų61.233%0.3333%0.326SS..THydrogen-bonded Turntrans-69-19.4-17700000114.3K90 Q91 W126K90-G95 PolarHBondContact O-N 3.12Å; Q91-G95 WeakPolarHBondContact O-CA 3.29Å; G95-W126 PolarHBondContact N-O 2.99Å
96L86.4Confident83.3Confident123 Ų12364.6 Ų64.664%0.64434%0.342SS*.THydrogen-bonded Turntrans-109.512.1168.2-56.9176.9000112.4L94 W126 V128L94-L96 PolarHBondContact O-N 2.94Å; L96-W126 HydrophobicContact CB-CB 4.38Å; L96-W126 PolarHBondContact N-O 3.32Å; L96-V128 HydrophobicContact CD2-CG2 4.2Å; L96-V128 HydrophobicContact CG-CG2 3.81Å
97Y85.3Confident82.4Confident25 Ų2568 Ų6810%0.09836%0.357CS..  trans-89.3114.3-179.4-169.7-95.2000110.2L94 D99 S102 F116 W126L94-Y97 HydrophobicContact CB-CG 4.43Å; L94-Y97 HydrophobicContact CD2-CD1 4.28Å; L94-Y97 HydrophobicContact CD2-CD2 3.88Å; L94-Y97 HydrophobicContact CD2-CG 3.74Å; L94-Y97 VanDerWaalsContact O-CB 3.28Å; L94-Y97 WeakPolarHBondContact O-CB 3.22Å; L94-Y97 PolarHBondContact O-N 3.32Å; Y97-D99 WeakPolarHBondContact CD1-OD1 3.48Å; Y97-D99 VanDerWaalsContact CE1-OD1 3.22Å; Y97-D99 WeakPolarHBondContact CE1-OD1 3.41Å; Y97-S102 PolarHBondContact OH-O 3.27Å; Y97-F116 AromaticContact CE2-CE2 3.74Å; Y97-F116 HydrophobicContact CE2-CE2 3.74Å; Y97-F116 HydrophobicContact CE2-CZ 4.14Å; Y97-W126 AromaticContact CD2-CD1 3.93Å; Y97-W126 AromaticContact CD2-CD2 3.63Å; Y97-W126 HydrophobicContact CD2-CD2 3.63Å; Y97-W126 AromaticContact CD2-CE2 3.55Å; Y97-W126 HydrophobicContact CD2-CE3 4.13Å; Y97-W126 AromaticContact CD2-CG 3.88Å; Y97-W126 HydrophobicContact CD2-CG 3.88Å; Y97-W126 HydrophobicContact CD2-CH2 4.49Å; Y97-W126 HydrophobicContact CD2-CZ2 4.01Å; Y97-W126 AromaticContact CD2-NE1 3.7Å; Y97-W126 HydrophobicContact CE2-CD2 4.34Å; Y97-W126 AromaticContact CE2-CE2 3.99Å; Y97-W126 HydrophobicContact CE2-CH2 4.27Å; Y97-W126 AromaticContact CE2-CZ2 3.96Å; Y97-W126 HydrophobicContact CE2-CZ2 3.96Å; Y97-W126 HydrophobicContact CG-CG 4.48Å
98D79.8Confident81.6Confident64 Ų6474 Ų7434%0.34238%0.376SS..  trans-95.6116.6168.2164.836.9000109.8R100 T101 S102D98-R100 PolarHBondContact O-N 3.06Å; D98-R100 WeakPolarHBondContact OD1-CB 3.45Å; D98-R100 WeakPolarHBondContact OD1-CG 3.47Å; D98-R100 PolarHBondContact OD1-N 2.91Å; D98-T101 WeakPolarHBondContact CB-OG1 3.34Å; D98-T101 PolarHBondContact O-N 2.91Å; D98-T101 VanDerWaalsContact OD2-CB 3.3Å; D98-T101 WeakPolarHBondContact OD2-CB 3.49Å; D98-T101 VanDerWaalsContact OD2-CG2 3.23Å; D98-T101 WeakPolarHBondContact OD2-CG2 3.34Å; D98-T101 PolarHBondContact OD2-N 2.73Å; D98-T101 PolarHBondContact OD2-OG1 2.77Å; D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 2.94Å; D98-S102 PolarHBondContact O-N 2.97Å; D98-S102 PolarHBondContact O-OG 2.91Å
99D74.9Confident81.3Confident96 Ų9675 Ų7551%0.51338%0.376SS..THydrogen-bonded Turntrans-58.6-13.3177.6-64.1-38.9000112.6K90 Y97K90-D99 IonicContact NZ-OD2 2.7Å; K90-D99 PolarHBondContact NZ-OD2 3.36Å; Y97-D99 WeakPolarHBondContact CD1-OD1 3.48Å; Y97-D99 VanDerWaalsContact CE1-OD1 3.22Å; Y97-D99 WeakPolarHBondContact CE1-OD1 3.41Å
100R69.1Low80.9Confident232 Ų23278.8 Ų78.888%0.87540%0.401SS*.THydrogen-bonded Turntrans-96.7-30.7-179.1-53.2-179.468168.31.6114.8D98D98-R100 PolarHBondContact O-N 3.06Å; D98-R100 WeakPolarHBondContact OD1-CB 3.45Å; D98-R100 WeakPolarHBondContact OD1-CG 3.47Å; D98-R100 PolarHBondContact OD1-N 2.91Å
101T64.6Low80.7Confident115 Ų11580 Ų8071%0.70641%0.408SS*.THydrogen-bonded Turntrans-107.1-23.8-179.1520000113.5D98D98-T101 WeakPolarHBondContact CB-OG1 3.34Å; D98-T101 PolarHBondContact O-N 2.91Å; D98-T101 VanDerWaalsContact OD2-CB 3.3Å; D98-T101 WeakPolarHBondContact OD2-CB 3.49Å; D98-T101 VanDerWaalsContact OD2-CG2 3.23Å; D98-T101 WeakPolarHBondContact OD2-CG2 3.34Å; D98-T101 PolarHBondContact OD2-N 2.73Å; D98-T101 PolarHBondContact OD2-OG1 2.77Å
102S68.1Low80.5Confident22 Ų2281.9 Ų81.915%0.15442%0.415CS..SBendtrans-88.7118.5176.7-58.90000110Y97 D98 V104Y97-S102 PolarHBondContact OH-O 3.27Å; D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 2.94Å; D98-S102 PolarHBondContact O-N 2.97Å; D98-S102 PolarHBondContact O-OG 2.91Å; S102-V104 PolarHBondContact O-N 2.84Å
103S65Low80.4Confident110 Ų11081.6 Ų81.677%0.76941%0.413SS*.  trans-64.5106.1178.9580000111.1
104V73.2Confident80.3Confident78 Ų7883.5 Ų83.547%0.47342%0.423SS..  trans-58.1124.8169.1-177.10000108.4S102 F107S102-V104 PolarHBondContact O-N 2.84Å; V104-F107 HydrophobicContact CG1-CE1 4.41Å; V104-F107 HydrophobicContact CG1-CE2 3.52Å; V104-F107 HydrophobicContact CG1-CZ 3.38Å
105P76.3Confident80.3Confident16 Ų1686.9 Ų86.910%0.10444%0.438CS..  trans-68.9148.9-178.130.3-37000111F107 K112 F116P105-F107 HydrophobicContact CG-CD1 4.2Å; P105-F107 HydrophobicContact CG-CE1 3.69Å; P105-F107 HydrophobicContact CG-CZ 4.36Å; P105-F107 PolarHBondContact O-N 2.92Å; P105-K112 HydrophobicContact CB-CB 4.1Å; P105-F116 HydrophobicContact CB-CB 4.3Å; P105-F116 HydrophobicContact CG-CB 3.78Å; P105-F116 HydrophobicContact CG-CD1 3.81Å; P105-F116 HydrophobicContact CG-CD2 4.45Å; P105-F116 HydrophobicContact CG-CG 3.76Å
106D75.4Confident80.5Confident78 Ų7886.4 Ų86.442%0.41743%0.427SS..  trans-65.9107.1169.7-175.8-2.3000109.3R108 E109D106-R108 PolarHBondContact O-N 3.21Å; D106-R108 WeakPolarHBondContact OD1-CB 3.47Å; D106-R108 WeakPolarHBondContact OD1-CD 3.45Å; D106-R108 WeakPolarHBondContact OD1-CG 3.04Å; D106-R108 PolarHBondContact OD1-N 2.88Å; D106-E109 PolarHBondContact O-N 3.14Å
107F75.9Confident80.8Confident79 Ų7980.6 Ų80.635%0.34640%0.396SS..THydrogen-bonded Turntrans-65-6.4-179.6-55.7-60.1000114D31 C32 V104 P105 E109 V113D31-F107 WeakPolarHBondContact O-CE1 3.44Å; C32-F107 VanDerWaalsContact CA-CE1 3.44Å; C32-F107 HydrophobicContact CB-CB 4.23Å; C32-F107 HydrophobicContact CB-CD1 3.36Å; C32-F107 HydrophobicContact CB-CD2 4.31Å; C32-F107 HydrophobicContact CB-CE1 3.69Å; C32-F107 HydrophobicContact CB-CG 3.71Å; C32-F107 HydrophobicContact CB-CZ 4.28Å; V104-F107 HydrophobicContact CG1-CE1 4.41Å; V104-F107 HydrophobicContact CG1-CE2 3.52Å; V104-F107 HydrophobicContact CG1-CZ 3.38Å; P105-F107 HydrophobicContact CG-CD1 4.2Å; P105-F107 HydrophobicContact CG-CE1 3.69Å; P105-F107 HydrophobicContact CG-CZ 4.36Å; P105-F107 PolarHBondContact O-N 2.92Å; F107-E109 VanDerWaalsContact C-N 3.31Å; F107-V113 HydrophobicContact CD1-CG2 3.92Å
108R78.9Confident81.2Confident218 Ų21881.9 Ų81.982%0.82340%0.403SS*.THydrogen-bonded Turntrans-75-18.5169.1-58.5170.571.2-141.33.6112.9D106 P110D106-R108 PolarHBondContact O-N 3.21Å; D106-R108 WeakPolarHBondContact OD1-CB 3.47Å; D106-R108 WeakPolarHBondContact OD1-CD 3.45Å; D106-R108 WeakPolarHBondContact OD1-CG 3.04Å; D106-R108 PolarHBondContact OD1-N 2.88Å; R108-P110 WeakPolarHBondContact O-CD 3.37Å
109E86.6Confident81.8Confident83 Ų8380.6 Ų80.639%0.38840%0.395SS..  trans-112.4100.7-177.2-172.9162.5-117.600111.7D106 F107 Q111 K112 V113D106-E109 PolarHBondContact O-N 3.14Å; F107-E109 VanDerWaalsContact C-N 3.31Å; E109-Q111 HydrophobicContact CG-CB 4.44Å; E109-Q111 PolarHBondContact O-N 3.48Å; E109-K112 HydrophobicContact CG-CG 4.46Å; E109-K112 PolarHBondContact O-N 2.89Å; E109-K112 VanDerWaalsContact O-N 3.16Å; E109-K112 VanDerWaalsContact OE2-CD 3.3Å; E109-K112 WeakPolarHBondContact OE2-CD 3.37Å; E109-K112 WeakPolarHBondContact OE2-CE 3.28Å; E109-K112 WeakPolarHBondContact OE2-CG 3.46Å; E109-K112 IonicContact OE2-NZ 3.8Å; E109-K112 PolarHBondContact OE2-NZ 3.47Å; E109-V113 PolarHBondContact O-N 2.69Å
110P86.4Confident82.7Confident79 Ų7976.1 Ų76.151%0.51337%0.371SS..Hα-helixtrans-58.4-24.8-174-2735.6000114.8I55 R108 K114I55-P110 HydrophobicContact CD1-CB 4.43Å; R108-P110 WeakPolarHBondContact O-CD 3.37Å; P110-K114 WeakPolarHBondContact O-CB 3.42Å; P110-K114 PolarHBondContact O-N 2.8Å
111Q88.3Confident83.9Confident103 Ų10365.5 Ų65.548%0.48133%0.331SS..Hα-helixtrans-69.6-47.4178.2-177.15827.700111.9E109 V113 K114 E115E109-Q111 HydrophobicContact CG-CB 4.44Å; E109-Q111 PolarHBondContact O-N 3.48Å; Q111-V113 VanDerWaalsContact C-N 3.29Å; Q111-V113 PolarHBondContact O-N 3.27Å; Q111-K114 WeakPolarHBondContact O-CB 3.21Å; Q111-K114 PolarHBondContact O-N 2.83Å; Q111-K114 VanDerWaalsContact O-N 3.14Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.41Å; Q111-E115 PolarHBondContact NE2-OE1 3.4Å; Q111-E115 WeakPolarHBondContact O-CG 3.47Å; Q111-E115 PolarHBondContact O-N 3.49Å
112K89.7Confident85.3Confident101 Ų10163.2 Ų63.244%0.43931%0.313SS..Hα-helixtrans-62.8-37.3173.3-74.2-172.8175.2108.70111.9P105 E109 E115 F116P105-K112 HydrophobicContact CB-CB 4.1Å; E109-K112 HydrophobicContact CG-CG 4.46Å; E109-K112 PolarHBondContact O-N 2.89Å; E109-K112 VanDerWaalsContact O-N 3.16Å; E109-K112 VanDerWaalsContact OE2-CD 3.3Å; E109-K112 WeakPolarHBondContact OE2-CD 3.37Å; E109-K112 WeakPolarHBondContact OE2-CE 3.28Å; E109-K112 WeakPolarHBondContact OE2-CG 3.46Å; E109-K112 IonicContact OE2-NZ 3.8Å; E109-K112 PolarHBondContact OE2-NZ 3.47Å; K112-E115 PolarHBondContact O-N 2.92Å; K112-F116 WeakPolarHBondContact O-CB 3.5Å; K112-F116 PolarHBondContact O-N 2.94Å
113V90.8Very high86.5Confident5 Ų568.7 Ų68.73%0.0333%0.333CS..Hα-helixtrans-64.3-40.9173.8-177.40000111.1I55 F107 E109 Q111 L117I55-V113 HydrophobicContact CD1-CB 3.89Å; I55-V113 HydrophobicContact CD1-CG1 3.6Å; F107-V113 HydrophobicContact CD1-CG2 3.92Å; E109-V113 PolarHBondContact O-N 2.69Å; Q111-V113 VanDerWaalsContact C-N 3.29Å; Q111-V113 PolarHBondContact O-N 3.27Å; V113-L117 HydrophobicContact CG1-CD1 4.14Å; V113-L117 WeakPolarHBondContact O-CB 3.35Å; V113-L117 WeakPolarHBondContact O-CD1 3.5Å; V113-L117 PolarHBondContact O-N 2.9Å
114K91.3Very high87.8Confident73 Ų7368.6 Ų68.632%0.31732%0.319SS..Hα-helixtrans-60.3-50.6173.6-176.5-176.6175.7-174.70111.5I55 P110 Q111 F116 L117 Q118I55-K114 HydrophobicContact CG2-CB 3.8Å; I55-K114 HydrophobicContact CG2-CG 4.02Å; P110-K114 WeakPolarHBondContact O-CB 3.42Å; P110-K114 PolarHBondContact O-N 2.8Å; Q111-K114 WeakPolarHBondContact O-CB 3.21Å; Q111-K114 PolarHBondContact O-N 2.83Å; Q111-K114 VanDerWaalsContact O-N 3.14Å; K114-F116 VanDerWaalsContact C-N 3.33Å; K114-F116 PolarHBondContact O-N 3.07Å; K114-L117 CarbonylContact O-C 3.55Å; K114-L117 WeakPolarHBondContact O-CA 3.36Å; K114-L117 WeakPolarHBondContact O-CB 3.49Å; K114-L117 PolarHBondContact O-N 3.1Å; K114-Q118 WeakPolarHBondContact O-CG 3.48Å; K114-Q118 PolarHBondContact O-N 2.66Å
115E92Very high88.7Confident93 Ų9372.3 Ų72.344%0.43533%0.325SS..Hα-helixtrans-59.1-43.5-179.9-72.5161.9-164.900111.7Q111 K112 L117 Q118 E119Q111-E115 WeakPolarHBondContact CG-OE1 3.41Å; Q111-E115 PolarHBondContact NE2-OE1 3.4Å; Q111-E115 WeakPolarHBondContact O-CG 3.47Å; Q111-E115 PolarHBondContact O-N 3.49Å; K112-E115 PolarHBondContact O-N 2.92Å; E115-L117 PolarHBondContact O-N 2.98Å; E115-Q118 PolarHBondContact O-N 2.99Å; E115-E119 WeakPolarHBondContact O-CG 3.24Å; E115-E119 PolarHBondContact O-N 3.27Å
116F92Very high89.4Confident22 Ų2272.7 Ų72.710%0.09632%0.324CS..Hα-helixtrans-61.9-39.7172.7175.5-113.5000113.1L94 Y97 P105 K112 K114 Q118 E119 K120 W126L94-F116 HydrophobicContact CD2-CZ 4.42Å; Y97-F116 AromaticContact CE2-CE2 3.74Å; Y97-F116 HydrophobicContact CE2-CE2 3.74Å; Y97-F116 HydrophobicContact CE2-CZ 4.14Å; P105-F116 HydrophobicContact CB-CB 4.3Å; P105-F116 HydrophobicContact CG-CB 3.78Å; P105-F116 HydrophobicContact CG-CD1 3.81Å; P105-F116 HydrophobicContact CG-CD2 4.45Å; P105-F116 HydrophobicContact CG-CG 3.76Å; K112-F116 WeakPolarHBondContact O-CB 3.5Å; K112-F116 PolarHBondContact O-N 2.94Å; K114-F116 VanDerWaalsContact C-N 3.33Å; K114-F116 PolarHBondContact O-N 3.07Å; F116-Q118 VanDerWaalsContact C-N 3.34Å; F116-E119 WeakPolarHBondContact O-CB 3.2Å; F116-E119 PolarHBondContact O-N 3.21Å; F116-K120 HydrophobicContact CE1-CD 4.33Å; F116-K120 HydrophobicContact CZ-CD 4.44Å; F116-K120 VanDerWaalsContact O-CB 3.28Å; F116-K120 WeakPolarHBondContact O-CB 3.5Å; F116-K120 PolarHBondContact O-N 3.01Å; F116-W126 AromaticContact CD2-CH2 3.83Å; F116-W126 HydrophobicContact CD2-CH2 3.83Å; F116-W126 AromaticContact CD2-CZ3 3.88Å; F116-W126 HydrophobicContact CD2-CZ3 3.88Å; F116-W126 HydrophobicContact CE2-CE3 4.41Å; F116-W126 AromaticContact CE2-CH2 3.68Å; F116-W126 HydrophobicContact CE2-CH2 3.68Å; F116-W126 AromaticContact CE2-CZ3 3.56Å; F116-W126 HydrophobicContact CE2-CZ3 3.56Å
117L93.3Very high90.3Very high0 Ų072.4 Ų72.40%032%0.318CS..Hα-helixtrans-66.9-34.5175.1-9856000112.3D31 I55 L56 L59 V113 K114 E115 K120 Y121D31-L117 HydrophobicContact CB-CD1 4.04Å; I55-L117 HydrophobicContact CB-CD2 4.06Å; I55-L117 HydrophobicContact CG2-CB 4.44Å; I55-L117 HydrophobicContact CG2-CD2 3.65Å; L56-L117 HydrophobicContact CD2-CD2 4.07Å; L56-L117 HydrophobicContact CG-CD2 4Å; L59-L117 HydrophobicContact CD1-CB 4.29Å; L59-L117 HydrophobicContact CD2-CB 4.2Å; V113-L117 HydrophobicContact CG1-CD1 4.14Å; V113-L117 WeakPolarHBondContact O-CB 3.35Å; V113-L117 WeakPolarHBondContact O-CD1 3.5Å; V113-L117 PolarHBondContact O-N 2.9Å; K114-L117 CarbonylContact O-C 3.55Å; K114-L117 WeakPolarHBondContact O-CA 3.36Å; K114-L117 WeakPolarHBondContact O-CB 3.49Å; K114-L117 PolarHBondContact O-N 3.1Å; E115-L117 PolarHBondContact O-N 2.98Å; L117-K120 PolarHBondContact O-N 3.3Å; L117-Y121 HydrophobicContact CB-CD2 4.36Å; L117-Y121 HydrophobicContact CG-CD2 4.15Å; L117-Y121 HydrophobicContact CG-CE2 4Å; L117-Y121 WeakPolarHBondContact O-CB 3.43Å; L117-Y121 WeakPolarHBondContact O-CD2 3.29Å; L117-Y121 PolarHBondContact O-N 2.81Å
118Q94.1Very high91.1Very high53 Ų5369.3 Ų69.325%0.24831%0.305CS..Iπ-helixtrans-67.5-42.4171.2-64.8-172.8-86.200111.1L59 K114 E115 F116 K120 E122 K123L59-Q118 HydrophobicContact CD2-CG 3.6Å; K114-Q118 WeakPolarHBondContact O-CG 3.48Å; K114-Q118 PolarHBondContact O-N 2.66Å; E115-Q118 PolarHBondContact O-N 2.99Å; F116-Q118 VanDerWaalsContact C-N 3.34Å; Q118-K120 VanDerWaalsContact C-N 3.32Å; Q118-K120 PolarHBondContact O-N 3.03Å; Q118-E122 HydrophobicContact CB-CG 4.48Å; Q118-E122 WeakPolarHBondContact CB-OE2 3.47Å; Q118-E122 VanDerWaalsContact CG-OE2 3.29Å; Q118-E122 WeakPolarHBondContact CG-OE2 3.32Å; Q118-E122 PolarHBondContact NE2-OE2 3.34Å; Q118-E122 CarbonylContact O-C 3.52Å; Q118-E122 WeakPolarHBondContact O-CA 3.44Å; Q118-E122 WeakPolarHBondContact O-CB 3.46Å; Q118-E122 PolarHBondContact O-N 2.92Å; Q118-K123 PolarHBondContact O-N 3.49Å
119E93Very high91.7Very high37 Ų3761.4 Ų61.417%0.17328%0.282CS..Iπ-helixtrans-58.2-43.9172.8-61.3-102.8122.600111.9E115 F116 K123 K124 R125 W126E115-E119 WeakPolarHBondContact O-CG 3.24Å; E115-E119 PolarHBondContact O-N 3.27Å; F116-E119 WeakPolarHBondContact O-CB 3.2Å; F116-E119 PolarHBondContact O-N 3.21Å; E119-K123 HydrophobicContact CG-CD 4.42Å; E119-K123 WeakPolarHBondContact OE1-CD 3.43Å; E119-K123 WeakPolarHBondContact OE1-CE 3.19Å; E119-K123 IonicContact OE1-NZ 2.63Å; E119-K123 PolarHBondContact OE1-NZ 2.61Å; E119-K124 PolarHBondContact O-N 3.09Å; E119-K124 VanDerWaalsContact O-N 3.14Å; E119-R125 WeakPolarHBondContact O-CB 3.4Å; E119-R125 PolarHBondContact O-N 2.7Å; E119-R125 WeakPolarHBondContact OE2-CD 3.43Å; E119-R125 IonicContact OE2-CZ 3.57Å; E119-R125 IonicContact OE2-NE 2.66Å; E119-R125 IonicContact OE2-NH1 2.96Å; E119-R125 PolarHBondContact OE2-NH1 3.44Å; E119-W126 HydrophobicContact CB-CH2 3.85Å; E119-W126 HydrophobicContact CB-CZ3 3.68Å
120K93.1Very high91.8Very high1 Ų160.3 Ų60.30%0.00428%0.282CS..Iπ-helixtrans-71.3-48.9-177.1-174.1176.7179.1-177.30113.3F30 D31 W93 L94 F116 L117 Q118 K124 W126F30-K120 VanDerWaalsContact CE1-CE 3.46Å; F30-K120 PolarHBondContact O-NZ 3.35Å; D31-K120 IonicContact OD1-NZ 2.81Å; D31-K120 PolarHBondContact OD1-NZ 2.96Å; W93-K120 HydrophobicContact CB-CG 4.39Å; L94-K120 HydrophobicContact CD2-CD 4.25Å; F116-K120 HydrophobicContact CE1-CD 4.33Å; F116-K120 HydrophobicContact CZ-CD 4.44Å; F116-K120 VanDerWaalsContact O-CB 3.28Å; F116-K120 WeakPolarHBondContact O-CB 3.5Å; F116-K120 PolarHBondContact O-N 3.01Å; L117-K120 PolarHBondContact O-N 3.3Å; Q118-K120 VanDerWaalsContact C-N 3.32Å; Q118-K120 PolarHBondContact O-N 3.03Å; K120-K124 WeakPolarHBondContact O-CA 3.4Å; K120-W126 HydrophobicContact CB-CE3 4.46Å; K120-W126 HydrophobicContact CB-CZ3 4.35Å
121Y94.4Very high91.9Very high10 Ų1062.4 Ų62.44%0.03929%0.285CS..Iπ-helixtrans-103.5-39.3-170.8-62.1-67.1000114.5F30 D31 V44 L56 L59 H63 W93 L117 K124F30-Y121 VanDerWaalsContact CD1-OH 3.25Å; F30-Y121 WeakPolarHBondContact CD1-OH 3.36Å; F30-Y121 VanDerWaalsContact CE1-OH 3.27Å; F30-Y121 WeakPolarHBondContact CE1-OH 3.29Å; D31-Y121 WeakPolarHBondContact OD1-CE2 3.35Å; D31-Y121 PolarHBondContact OD1-OH 2.65Å; D31-Y121 PolarHBondContact OD2-OH 3.49Å; V44-Y121 HydrophobicContact CG1-CE1 4.43Å; V44-Y121 HydrophobicContact CG2-CD1 4.26Å; V44-Y121 HydrophobicContact CG2-CE1 3.86Å; L56-Y121 HydrophobicContact CD2-CD2 4.02Å; L56-Y121 HydrophobicContact CD2-CE2 3.7Å; L59-Y121 HydrophobicContact CD1-CD2 3.94Å; L59-Y121 HydrophobicContact CD1-CG 4.45Å; H63-Y121 AromaticContact CE1-CD1 3.73Å; H63-Y121 AromaticContact CE1-CG 3.87Å; H63-Y121 AromaticContact NE2-CG 3.85Å; W93-Y121 AromaticContact CD2-CD1 3.83Å; W93-Y121 HydrophobicContact CD2-CD1 3.83Å; W93-Y121 AromaticContact CD2-CE1 3.81Å; W93-Y121 HydrophobicContact CD2-CE1 3.81Å; W93-Y121 AromaticContact CE3-CD1 3.55Å; W93-Y121 HydrophobicContact CE3-CD1 3.55Å; W93-Y121 AromaticContact CE3-CE1 4Å; W93-Y121 HydrophobicContact CE3-CE1 4Å; W93-Y121 HydrophobicContact CG-CE1 4.08Å; W93-Y121 HydrophobicContact CH2-CD1 4.1Å; W93-Y121 HydrophobicContact CZ2-CD1 4.36Å; W93-Y121 AromaticContact CZ3-CD1 3.7Å; W93-Y121 HydrophobicContact CZ3-CD1 3.7Å; L117-Y121 HydrophobicContact CB-CD2 4.36Å; L117-Y121 HydrophobicContact CG-CD2 4.15Å; L117-Y121 HydrophobicContact CG-CE2 4Å; L117-Y121 WeakPolarHBondContact O-CB 3.43Å; L117-Y121 WeakPolarHBondContact O-CD2 3.29Å; L117-Y121 PolarHBondContact O-N 2.81Å; Y121-K124 WeakPolarHBondContact O-CG 3.24Å
122E93.4Very high91.6Very high67 Ų6763.2 Ų63.231%0.31329%0.289SS..Iπ-helixtrans-85.5-55-178-58.4178.7174.100111.1L59 N60 Q118 K124L59-E122 VanDerWaalsContact CA-OE1 3.32Å; L59-E122 WeakPolarHBondContact CA-OE1 3.36Å; L59-E122 WeakPolarHBondContact CB-OE1 3.46Å; N60-E122 PolarHBondContact N-OE1 2.78Å; Q118-E122 HydrophobicContact CB-CG 4.48Å; Q118-E122 WeakPolarHBondContact CB-OE2 3.47Å; Q118-E122 VanDerWaalsContact CG-OE2 3.29Å; Q118-E122 WeakPolarHBondContact CG-OE2 3.32Å; Q118-E122 PolarHBondContact NE2-OE2 3.34Å; Q118-E122 CarbonylContact O-C 3.52Å; Q118-E122 WeakPolarHBondContact O-CA 3.44Å; Q118-E122 WeakPolarHBondContact O-CB 3.46Å; Q118-E122 PolarHBondContact O-N 2.92Å; E122-K124 VanDerWaalsContact C-N 3.29Å; E122-K124 PolarHBondContact O-N 2.9Å
123K93.2Very high91.3Very high136 Ų13658.7 Ų58.759%0.59127%0.27SS*.SBendtrans-76.8-15.2176.9-49.7-175.8-167.6177.50113.1Q118 E119 R125Q118-K123 PolarHBondContact O-N 3.49Å; E119-K123 HydrophobicContact CG-CD 4.42Å; E119-K123 WeakPolarHBondContact OE1-CD 3.43Å; E119-K123 WeakPolarHBondContact OE1-CE 3.19Å; E119-K123 IonicContact OE1-NZ 2.63Å; E119-K123 PolarHBondContact OE1-NZ 2.61Å; K123-R125 PolarHBondContact O-N 3.24Å
124K92.8Very high90.7Very high109 Ų10964 Ų6447%0.47429%0.293SS..  trans54.233.7179-62.9-172.1179.5177.40114.1W93 E119 K120 Y121 E122 W126 Y127W93-K124 HydrophobicContact CZ3-CG 4.34Å; E119-K124 PolarHBondContact O-N 3.09Å; E119-K124 VanDerWaalsContact O-N 3.14Å; K120-K124 WeakPolarHBondContact O-CA 3.4Å; Y121-K124 WeakPolarHBondContact O-CG 3.24Å; E122-K124 VanDerWaalsContact C-N 3.29Å; E122-K124 PolarHBondContact O-N 2.9Å; K124-W126 PolarHBondContact O-N 3.49Å; K124-Y127 HydrophobicContact CB-CG 4.31Å; K124-Y127 HydrophobicContact CD-CD1 4.37Å; K124-Y127 HydrophobicContact CD-CG 4.38Å; K124-Y127 VanDerWaalsContact O-CB 3.27Å; K124-Y127 WeakPolarHBondContact O-CB 3.39Å; K124-Y127 PolarHBondContact O-N 3.42Å
125R91.1Very high90.1Very high156 Ų15664.6 Ų64.659%0.58930%0.302SS*.THydrogen-bonded Turntrans-55.9-31.3-167.1-177.3170.8-178.4156.76114.9E119 K123E119-R125 WeakPolarHBondContact O-CB 3.4Å; E119-R125 PolarHBondContact O-N 2.7Å; E119-R125 WeakPolarHBondContact OE2-CD 3.43Å; E119-R125 IonicContact OE2-CZ 3.57Å; E119-R125 IonicContact OE2-NE 2.66Å; E119-R125 IonicContact OE2-NH1 2.96Å; E119-R125 PolarHBondContact OE2-NH1 3.44Å; K123-R125 PolarHBondContact O-N 3.24Å
126W92.3Very high89.1Confident24 Ų2464.2 Ų64.29%0.09131%0.306CS..THydrogen-bonded Turntrans-121.519.7-179.6-50.6-82.4000113W93 G95 L96 Y97 F116 E119 K120 K124W93-W126 CarbonylContact C-O 3.2Å; G95-W126 PolarHBondContact N-O 2.99Å; L96-W126 HydrophobicContact CB-CB 4.38Å; L96-W126 PolarHBondContact N-O 3.32Å; Y97-W126 AromaticContact CD2-CD1 3.93Å; Y97-W126 AromaticContact CD2-CD2 3.63Å; Y97-W126 HydrophobicContact CD2-CD2 3.63Å; Y97-W126 AromaticContact CD2-CE2 3.55Å; Y97-W126 HydrophobicContact CD2-CE3 4.13Å; Y97-W126 AromaticContact CD2-CG 3.88Å; Y97-W126 HydrophobicContact CD2-CG 3.88Å; Y97-W126 HydrophobicContact CD2-CH2 4.49Å; Y97-W126 HydrophobicContact CD2-CZ2 4.01Å; Y97-W126 AromaticContact CD2-NE1 3.7Å; Y97-W126 HydrophobicContact CE2-CD2 4.34Å; Y97-W126 AromaticContact CE2-CE2 3.99Å; Y97-W126 HydrophobicContact CE2-CH2 4.27Å; Y97-W126 AromaticContact CE2-CZ2 3.96Å; Y97-W126 HydrophobicContact CE2-CZ2 3.96Å; Y97-W126 HydrophobicContact CG-CG 4.48Å; F116-W126 AromaticContact CD2-CH2 3.83Å; F116-W126 HydrophobicContact CD2-CH2 3.83Å; F116-W126 AromaticContact CD2-CZ3 3.88Å; F116-W126 HydrophobicContact CD2-CZ3 3.88Å; F116-W126 HydrophobicContact CE2-CE3 4.41Å; F116-W126 AromaticContact CE2-CH2 3.68Å; F116-W126 HydrophobicContact CE2-CH2 3.68Å; F116-W126 AromaticContact CE2-CZ3 3.56Å; F116-W126 HydrophobicContact CE2-CZ3 3.56Å; E119-W126 HydrophobicContact CB-CH2 3.85Å; E119-W126 HydrophobicContact CB-CZ3 3.68Å; K120-W126 HydrophobicContact CB-CE3 4.46Å; K120-W126 HydrophobicContact CB-CZ3 4.35Å; K124-W126 PolarHBondContact O-N 3.49Å
127Y93.7Very high88.1Confident72 Ų7265 Ų6528%0.28232%0.317SS..  trans-78.7124.9-175.8178.7-97.6000112.2I92 W93 K124 P129 P130I92-Y127 HydrophobicContact CG2-CD2 3.88Å; I92-Y127 HydrophobicContact CG2-CE2 3.48Å; I92-Y127 VanDerWaalsContact CG2-CE2 3.48Å; I92-Y127 CarbonylContact O-C 3.49Å; I92-Y127 WeakPolarHBondContact O-CA 3.23Å; W93-Y127 AromaticContact CD2-CD2 3.9Å; W93-Y127 HydrophobicContact CD2-CD2 3.9Å; W93-Y127 HydrophobicContact CD2-CE2 4.3Å; W93-Y127 AromaticContact CE3-CD2 3.59Å; W93-Y127 HydrophobicContact CE3-CD2 3.59Å; W93-Y127 HydrophobicContact CE3-CE2 4.26Å; W93-Y127 HydrophobicContact CH2-CD2 4.05Å; W93-Y127 AromaticContact CH2-CE2 3.99Å; W93-Y127 HydrophobicContact CH2-CE2 3.99Å; W93-Y127 HydrophobicContact CZ2-CD2 4.31Å; W93-Y127 HydrophobicContact CZ2-CE2 4.01Å; W93-Y127 AromaticContact CZ3-CD2 3.66Å; W93-Y127 HydrophobicContact CZ3-CD2 3.66Å; W93-Y127 HydrophobicContact CZ3-CE2 4.1Å; K124-Y127 HydrophobicContact CB-CG 4.31Å; K124-Y127 HydrophobicContact CD-CD1 4.37Å; K124-Y127 HydrophobicContact CD-CG 4.38Å; K124-Y127 VanDerWaalsContact O-CB 3.27Å; K124-Y127 WeakPolarHBondContact O-CB 3.39Å; K124-Y127 PolarHBondContact O-N 3.42Å; Y127-P129 HydrophobicContact CE1-CG 4.37Å; Y127-P130 WeakPolarHBondContact OH-CD 3.39Å
128V93.4Very high87Confident14 Ų1468.2 Ų68.29%0.08534%0.34CS..  trans-107.8129.7169.6-1790000108.2I92 L96 Q132 A133I92-V128 PolarHBondContact O-N 3.46Å; L96-V128 HydrophobicContact CD2-CG2 4.2Å; L96-V128 HydrophobicContact CG-CG2 3.81Å; V128-Q132 HydrophobicContact CG1-CB 3.77Å; V128-A133 HydrophobicContact CB-CB 4.48Å; V128-A133 HydrophobicContact CG1-CB 4.11Å
129P91.5Very high85.8Confident52 Ų5269.1 Ų69.134%0.33835%0.349SS..  trans-54.5139.9175.2-26.435000111.8Y127 E131 Q132 A133Y127-P129 HydrophobicContact CE1-CG 4.37Å; P129-E131 PolarHBondContact O-N 2.89Å; P129-Q132 PolarHBondContact O-N 3.28Å; P129-A133 PolarHBondContact O-N 3.24Å
130P87.8Confident84.4Confident59 Ų5973.4 Ų73.438%0.38337%0.368SS..Hα-helixtrans-59.2-26-171.821.6-33.8000114.2I92 Y127 K134I92-P130 HydrophobicContact CD1-CB 3.86Å; I92-P130 HydrophobicContact CG1-CB 4.24Å; Y127-P130 WeakPolarHBondContact OH-CD 3.39Å; P130-K134 WeakPolarHBondContact O-CD 3.49Å; P130-K134 VanDerWaalsContact O-CG 3.29Å; P130-K134 WeakPolarHBondContact O-CG 3.41Å; P130-K134 PolarHBondContact O-N 2.95Å
131E88.6Confident83Confident124 Ų12476.2 Ų76.258%0.57939%0.392SS*.Hα-helixtrans-71.1-38.4175.4-146.257.3-139.600112.5P129 K134P129-E131 PolarHBondContact O-N 2.89Å; E131-K134 IonicContact OE1-NZ 3.02Å; E131-K134 PolarHBondContact OE1-NZ 2.91Å; E131-K134 IonicContact OE2-NZ 3.18Å; E131-K134 PolarHBondContact OE2-NZ 3.25Å
132Q82.9Confident81.6Confident120 Ų12079.7 Ų79.756%0.56142%0.418SS*.Hα-helixtrans-74.3-38.9175.8-63.2176.59.600111V128 P129 K134 V135 V136V128-Q132 HydrophobicContact CG1-CB 3.77Å; P129-Q132 PolarHBondContact O-N 3.28Å; Q132-K134 VanDerWaalsContact C-N 3.3Å; Q132-K134 PolarHBondContact O-N 2.88Å; Q132-V135 PolarHBondContact O-N 3.34Å; Q132-V136 WeakPolarHBondContact O-CG2 3.18Å; Q132-V136 PolarHBondContact O-N 3.3Å
133A83.3Confident80Confident6 Ų682.4 Ų82.45%0.0543%0.433CS..Hα-helixtrans-59.2-37.8178.700000112.7Q91 I92 V128 P129 A137Q91-A133 HydrophobicContact CB-CB 4.28Å; I92-A133 HydrophobicContact CG1-CB 3.94Å; V128-A133 HydrophobicContact CB-CB 4.48Å; V128-A133 HydrophobicContact CG1-CB 4.11Å; P129-A133 PolarHBondContact O-N 3.24Å; A133-A137 VanDerWaalsContact O-CB 3.29Å; A133-A137 WeakPolarHBondContact O-CB 3.22Å; A133-A137 PolarHBondContact O-N 2.85Å
134K78.1Confident78.4Confident115 Ų11579.7 Ų79.750%0.543%0.431SS..Hα-helixtrans-60.3-44.3172.5-68160.5-174.8171.50112.4P130 E131 Q132 A137 S138P130-K134 WeakPolarHBondContact O-CD 3.49Å; P130-K134 VanDerWaalsContact O-CG 3.29Å; P130-K134 WeakPolarHBondContact O-CG 3.41Å; P130-K134 PolarHBondContact O-N 2.95Å; E131-K134 IonicContact OE1-NZ 3.02Å; E131-K134 PolarHBondContact OE1-NZ 2.91Å; E131-K134 IonicContact OE2-NZ 3.18Å; E131-K134 PolarHBondContact OE2-NZ 3.25Å; Q132-K134 VanDerWaalsContact C-N 3.3Å; Q132-K134 PolarHBondContact O-N 2.88Å; K134-A137 PolarHBondContact O-N 3.4Å; K134-S138 PolarHBondContact O-N 3.27Å; K134-S138 PolarHBondContact O-OG 2.9Å
135V78.8Confident76.2Confident86 Ų8676.8 Ų76.852%0.52143%0.432SS..Hα-helixtrans-70.1-42.2-178.4178.50000110.6Q132 A137 S138 V139Q132-V135 PolarHBondContact O-N 3.34Å; V135-A137 VanDerWaalsContact C-N 3.32Å; V135-A137 PolarHBondContact O-N 3.21Å; V135-S138 PolarHBondContact O-N 2.9Å; V135-S138 PolarHBondContact O-OG 3.11Å; V135-S138 VanDerWaalsContact O-OG 3.05Å; V135-V139 HydrophobicContact CG1-CG2 4.43Å; V135-V139 WeakPolarHBondContact O-CB 3.3Å; V135-V139 VanDerWaalsContact O-CG2 3.29Å; V135-V139 WeakPolarHBondContact O-CG2 3.39Å; V135-V139 PolarHBondContact O-N 3.49Å
136V71.2Confident74.2Confident85 Ų8574.3 Ų74.352%0.51544%0.439SS..Hα-helixtrans-61.9-42.1174.3176.90000110.7Q132 V139 H140Q132-V136 WeakPolarHBondContact O-CG2 3.18Å; Q132-V136 PolarHBondContact O-N 3.3Å; V136-V139 PolarHBondContact O-N 2.84Å; V136-H140 VanDerWaalsContact O-CB 3.3Å; V136-H140 WeakPolarHBondContact O-CB 3.49Å; V136-H140 PolarHBondContact O-N 3.48Å
137A70.4Confident72.1Confident38 Ų3878.1 Ų78.131%0.31447%0.469SS..Hα-helixtrans-64.9-40.7176.600000113Q91 A133 K134 V135 H140 A141Q91-A137 HydrophobicContact CG-CB 4.48Å; A133-A137 VanDerWaalsContact O-CB 3.29Å; A133-A137 WeakPolarHBondContact O-CB 3.22Å; A133-A137 PolarHBondContact O-N 2.85Å; K134-A137 PolarHBondContact O-N 3.4Å; V135-A137 VanDerWaalsContact C-N 3.32Å; V135-A137 PolarHBondContact O-N 3.21Å; A137-H140 PolarHBondContact O-N 3.2Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.45Å; A137-A141 PolarHBondContact O-N 3.21Å
138S69.8Low69.9Low69 Ų6982.3 Ų82.348%0.48350%0.496SS..Hα-helixtrans-69.8-38.4177.567.90000112.5K134 V135 A141 S142K134-S138 PolarHBondContact O-N 3.27Å; K134-S138 PolarHBondContact O-OG 2.9Å; V135-S138 PolarHBondContact O-N 2.9Å; V135-S138 PolarHBondContact O-OG 3.11Å; V135-S138 VanDerWaalsContact O-OG 3.05Å; S138-A141 PolarHBondContact O-N 2.81Å; S138-S142 PolarHBondContact O-N 2.99Å; S138-S142 PolarHBondContact O-OG 2.78Å
139V70.1Confident67.7Low72 Ų7287.2 Ų87.244%0.43653%0.531SS..Hα-helixtrans-65.5-44.1172.91710000111.1V135 V136 A141 S142 I143V135-V139 HydrophobicContact CG1-CG2 4.43Å; V135-V139 WeakPolarHBondContact O-CB 3.3Å; V135-V139 VanDerWaalsContact O-CG2 3.29Å; V135-V139 WeakPolarHBondContact O-CG2 3.39Å; V135-V139 PolarHBondContact O-N 3.49Å; V136-V139 PolarHBondContact O-N 2.84Å; V139-A141 VanDerWaalsContact C-N 3.3Å; V139-A141 PolarHBondContact O-N 2.79Å; V139-S142 PolarHBondContact O-N 2.94Å; V139-S142 PolarHBondContact O-OG 3.48Å; V139-I143 HydrophobicContact CG1-CD1 3.68Å; V139-I143 HydrophobicContact CG1-CG1 4.44Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.47Å; V139-I143 PolarHBondContact O-N 3.26Å
140H62.7Low65.3Low126 Ų12690.6 Ų90.658%0.58356%0.556SS**Hα-helixtrans-65.7-34.6177.1-167-82.8000112V136 A137 S144V136-H140 VanDerWaalsContact O-CB 3.3Å; V136-H140 WeakPolarHBondContact O-CB 3.49Å; V136-H140 PolarHBondContact O-N 3.48Å; A137-H140 PolarHBondContact O-N 3.2Å; H140-S144 PolarHBondContact CE1-OG 3.4Å; H140-S144 PolarHBondContact ND1-OG 2.94Å; H140-S144 WeakPolarHBondContact O-CB 3.41Å; H140-S144 PolarHBondContact O-N 3.48Å; H140-S144 PolarHBondContact O-OG 3.07Å
141A63.6Low63.2Low61 Ų6194.6 Ų94.650%0.50458%0.58SS.*Hα-helixtrans-66.5-40.5173.600000112.5A137 S138 V139 G145A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.45Å; A137-A141 PolarHBondContact O-N 3.21Å; S138-A141 PolarHBondContact O-N 2.81Å; V139-A141 VanDerWaalsContact C-N 3.3Å; V139-A141 PolarHBondContact O-N 2.79Å; A141-G145 WeakPolarHBondContact O-CA 3.43Å; A141-G145 PolarHBondContact O-N 2.97Å
142S64.9Low61.1Low83 Ų8396 Ų9658%0.5859%0.591SS**Hα-helixtrans-71.7-33.6176.862.90000113S138 V139S138-S142 PolarHBondContact O-N 2.99Å; S138-S142 PolarHBondContact O-OG 2.78Å; V139-S142 PolarHBondContact O-N 2.94Å; V139-S142 PolarHBondContact O-OG 3.48Å
143I59.6Low59.1Low123 Ų12395.5 Ų95.563%0.63160%0.601SS**Hα-helixtrans-71.2-43.4174.2-66.6169.1000111.3V139 G145V139-I143 HydrophobicContact CG1-CD1 3.68Å; V139-I143 HydrophobicContact CG1-CG1 4.44Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.47Å; V139-I143 PolarHBondContact O-N 3.26Å; I143-G145 VanDerWaalsContact C-N 3.27Å; I143-G145 PolarHBondContact O-N 2.66Å
144S60.3Low57.1Low80 Ų80101.6 Ų101.656%0.55964%0.638SS**Hα-helixtrans-76.6-12.5178.7-530000113.6H140H140-S144 PolarHBondContact CE1-OG 3.4Å; H140-S144 PolarHBondContact ND1-OG 2.94Å; H140-S144 WeakPolarHBondContact O-CB 3.41Å; H140-S144 PolarHBondContact O-N 3.48Å; H140-S144 PolarHBondContact O-OG 3.07Å
145G46.4Very low55.5Low48 Ų48101.8 Ų101.850%0.49565%0.651SS.*THydrogen-bonded Turntrans-99.121.2-167.700000116A141 I143 S147A141-G145 WeakPolarHBondContact O-CA 3.43Å; A141-G145 PolarHBondContact O-N 2.97Å; I143-G145 VanDerWaalsContact C-N 3.27Å; I143-G145 PolarHBondContact O-N 2.66Å; G145-S147 PolarHBondContact O-N 3.43Å
146S48Very low53.7Low104 Ų104103.8 Ų103.873%0.72765%0.654SS**  trans-78.954.4-178.6-70.10000114.1
147S49Very low52.4Low103 Ų103106.4 Ų106.472%0.7267%0.67SS**SBendtrans-170.5146.8154.7-82.50000110.3G145G145-S147 PolarHBondContact O-N 3.43Å
148N48.4Very low51.4Low161 Ų161113 Ų11386%0.86169%0.687SS**SBendtrans70.447.8172.2-57.5-3.8000118.2
149S46.6Very low50.6Low116 Ų116114.3 Ų114.381%0.81169%0.694SS**  trans-167.585.1146.6-84.90000112.5
150S41.8Very low49.5Very low123 Ų123119.1 Ų119.186%0.8672%0.716SS**  trans-151.852-179.4-62.90000116.2
151T42.7Very low48.9Very low144 Ų144122.2 Ų122.288%0.88373%0.728SS**  trans-151.4113151.749.60000106.1
152N44.5Very low48.3Very low153 Ų153124.7 Ų124.782%0.81874%0.741SS**SBendcis-143.3114.148.5172.231.5000112.9
153S40.3Very low47.4Very low110 Ų110128.4 Ų128.477%0.76975%0.754SS**  trans174.4107.7152.2-82.80000108.8P155S153-P155 WeakPolarHBondContact O-CD 3.33Å
154T41.9Very low47Very low134 Ų134130.5 Ų130.582%0.82277%0.765SS**  trans-84.3121.1178.849.10000111.6E156T154-E156 PolarHBondContact O-N 2.94Å
155P45.4Very low45.9Very low119 Ų119130 Ų13077%0.77377%0.773SS**  trans-73.8114.1160.630-30.6000109.1S153 V157S153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-V157 PolarHBondContact O-N 3.14Å
156E39.6Very low46.2Very low127 Ų127135.4 Ų135.459%0.59379%0.791SS**  trans-68.3111.8177.6-172.2-156.9149.100110.5T154 R158T154-E156 PolarHBondContact O-N 2.94Å; E156-R158 VanDerWaalsContact C-N 3.34Å; E156-R158 HydrophobicContact CG-CG 4.22Å; E156-R158 PolarHBondContact O-N 2.87Å; E156-R158 WeakPolarHBondContact OE1-CG 3.47Å; E156-R158 IonicContact OE1-CZ 3.74Å; E156-R158 IonicContact OE1-NE 2.85Å; E156-R158 PolarHBondContact OE1-NE 3.21Å; E156-R158 IonicContact OE1-NH2 2.68Å; E156-R158 IonicContact OE2-CZ 3.29Å; E156-R158 VanDerWaalsContact OE2-CZ 3.29Å; E156-R158 IonicContact OE2-NE 3.02Å; E156-R158 PolarHBondContact OE2-NE 2.98Å; E156-R158 IonicContact OE2-NH2 3.73Å; E156-R158 PolarHBondContact OE2-NH2 2.7Å
157V44Very low45.7Very low140 Ų140136.5 Ų136.585%0.84880%0.798SS**  trans-76.686.4174.3-175.90000109.4P155P155-V157 PolarHBondContact O-N 3.14Å
158R50.6Low45.1Very low178 Ų178136.2 Ų136.267%0.67280%0.802SS**  trans-65.5124.1174.7-77.3-176.6-179.3171.510.8110.8E156E156-R158 VanDerWaalsContact C-N 3.34Å; E156-R158 HydrophobicContact CG-CG 4.22Å; E156-R158 PolarHBondContact O-N 2.87Å; E156-R158 WeakPolarHBondContact OE1-CG 3.47Å; E156-R158 IonicContact OE1-CZ 3.74Å; E156-R158 IonicContact OE1-NE 2.85Å; E156-R158 PolarHBondContact OE1-NE 3.21Å; E156-R158 IonicContact OE1-NH2 2.68Å; E156-R158 IonicContact OE2-CZ 3.29Å; E156-R158 VanDerWaalsContact OE2-CZ 3.29Å; E156-R158 IonicContact OE2-NE 3.02Å; E156-R158 PolarHBondContact OE2-NE 2.98Å; E156-R158 IonicContact OE2-NH2 3.73Å; E156-R158 PolarHBondContact OE2-NH2 2.7Å
159P53.3Low44.8Very low96 Ų96135 Ų13562%0.62380%0.803SS**  trans-64.9144173.527.5-33.6000110.2K161P159-K161 PolarHBondContact O-N 3.19Å
160L46Very low44.2Very low172 Ų172133.9 Ų133.990%0.90180%0.795SS**SBendtrans-74.947-168.5-143.985.6000114.2
161K50.4Low43.8Very low191 Ų191136.7 Ų136.783%0.8380%0.8SS**  trans-130.311.4-168.5-60.8-172.6178.6-176.90114.4P159P159-K161 PolarHBondContact O-N 3.19Å
162S49.8Very low43.5Very low113 Ų113136.8 Ų136.879%0.7979%0.79SS**SBendtrans-125.817.2-175.1-168.40000114.2
163L47.1Very low43.2Very low162 Ų162137.8 Ų137.885%0.84879%0.794SS**SBendtrans-113.6-2179-79172.1000114.3
164L50.8Low42.8Very low166 Ų166137.2 Ų137.287%0.86979%0.786SS**  trans-118.493.9169.4-80.379.1000108.3
165G37.5Very low42.4Very low69 Ų69139.7 Ų139.771%0.71179%0.785SS**  trans-78.1159.1161.600000110.9S167G165-S167 PolarHBondContact O-N 2.88Å
166D52.3Low41.7Very low163 Ų163140.3 Ų140.387%0.87278%0.782SS**SBendtrans-63.7119.7-165.5-55.6-101.9000115
167S37.8Very low41.6Very low127 Ų127140.5 Ų140.589%0.88879%0.792SS**  trans-174.977.4148-83.60000113.3G165G165-S167 PolarHBondContact O-N 2.88Å
168A36.7Very low42.1Very low97 Ų97139.4 Ų139.480%0.80279%0.788SS**  trans-153.5134.2160.200000110.5
169P42.6Very low42.2Very low134 Ų134136.1 Ų136.187%0.8779%0.79SS**  trans-81.1159.1-171.331.7-35.6000114.6
170S32.4Very low41Very low93 Ų93139.1 Ų139.165%0.6580%0.801SS**  trans-68.2146.4-174.1-1780000114.9
171L34.8Very low40.3Very low183 Ų183138.8 Ų138.896%0.95880%0.795SS**  trans-118.2142.7133.4-75.8178.4000109.5
172H35.5Very low39.5Very low145 Ų145135 Ų13567%0.67179%0.792SS**  trans-115.8127.5-157.1173.5-121.4000111.4T174H172-T174 PolarHBondContact CE1-OG1 2.99Å; H172-T174 PolarHBondContact ND1-OG1 3.38Å
173L39.4Very low39.5Very low174 Ų174135.1 Ų135.191%0.91179%0.79SS**  trans-109.4113.2177.4-153.176.9000111.1
174T31.5Very low38.5Very low98 Ų98133.9 Ų133.960%0.60179%0.789SS**  trans-132.8152.2168.515.10000106.8H172H172-T174 PolarHBondContact CE1-OG1 2.99Å; H172-T174 PolarHBondContact ND1-OG1 3.38Å
175K32.3Very low37.6Very low186 Ų186132 Ų13281%0.80978%0.784SS**  cis-155.4170.120.5-131.7176.3154.8-175.40107
176N31.1Very low37.3Very low132 Ų132134 Ų13471%0.70679%0.787SS**  cis-132.7-174.213.3-71.4-45.4000111.3
177T37.8Very low36.2Very low132 Ų132137.8 Ų137.881%0.8179%0.789SS**  trans-130.7-175.6163.815.70000108.5
178P53.5Low35.9Very low116 Ų116135 Ų13575%0.75378%0.78SS**  cis-115.6-118.8-18.924.51.4000108
179P52.7Low35.7Very low110 Ų110139.1 Ų139.171%0.71478%0.783SS**  cis-136.3176.6-33.537.9-18.8000117.5
180N29.5Very low35.2Very low159 Ų159139.3 Ų139.385%0.8577%0.772SS**  trans92.4158.4144.3-135.7-4.9000121.8
181Q31.5Very low35.3Very low165 Ų165142 Ų14277%0.77177%0.774SS**  trans-121.5143.2-163.8-57.1172.4-1400113
182S33.9Very low35.1Very low110 Ų110139.8 Ų139.877%0.76976%0.759SS**  trans56.1171.3137.9-59.80000121.1
183P49.1Very low34.9Very low117 Ų117140.4 Ų140.476%0.7676%0.762SS**  cis-129.1-150.6-28.325.8-0.7000111.9
184V26.9Very low34.5Very low135 Ų135139.8 Ų139.882%0.81875%0.754SS**  trans94.1161159.6-175.60000117.4
185V31.9Very low34.5Very low126 Ų126145.1 Ų145.176%0.76477%0.77SS**  trans-140.9153.3-146.81800000112.1
186S29.6Very low34.4Very low112 Ų112143.6 Ų143.678%0.78377%0.765SS**  trans113149161.6-57.60000116
187R30.5Very low34.7Very low243 Ų243146 Ų14692%0.91777%0.772SS**  cis-169.2138.6-19.6169.3174.3-177.6150.71.4111.6
188G30.4Very low34.7Very low68 Ų68148.8 Ų148.870%0.70177%0.773SS**  trans101140.5157.900000115.9
189Q33.2Very low34.1Very low183 Ų183152.4 Ų152.486%0.85578%0.777SS**  cis-150-178.3-2.6-54-166.990.500108.4
190H31.4Very low33.6Very low139 Ų139155.6 Ų155.664%0.64478%0.78SS**  cis-154.8-164.17.4-163.8-112000110.2
191H34.9Very low34.6Very low149 Ų149153 Ų15369%0.6977%0.766SS**  trans5970.5161.1-73.4128.7000119.8
192Q30.6Very low35.5Very low137 Ų137151.3 Ų151.364%0.6476%0.761SS**  57.5108.4107.9-163.1167.218.700121.6
193Q31.2Very low36.4Very low158 Ų158153.4 Ų153.474%0.73876%0.763SS**  trans66.7152.7144.3-67.3166.1-10.400121
194Q30Very low36.6Very low160 Ų160153 Ų15375%0.74876%0.763SS**  cis-174.8129.9-33.7-168168.46.500108
195F32.1Very low37.5Very low210 Ų210153.9 Ų153.992%0.92176%0.763SS**  trans-176.9177.6140.6-118.4-90.6000110.8
196H31.5Very low38.4Very low155 Ų155156.3 Ų156.372%0.71877%0.771SS**  trans-128.6139.8-148.7-149.6-71000113.9
197E36.4Very low39.4Very low183 Ų183154.4 Ų154.486%0.85577%0.77SS**  trans-64.3136.7163.8-68.6-178.89600110.8
198K37.6Very low40.1Very low190 Ų190146.1 Ų146.183%0.82676%0.76SS**  trans-140.4123.9156-74.6-165.3176.6-1800111
199K41.3Very low41.2Very low191 Ų191149.2 Ų149.283%0.8376%0.76SS**  trans-60.1131.5168.8177.4-175173.8-167.10109.6
200F41.3Very low42.1Very low178 Ų178147.8 Ų147.878%0.78176%0.757SS**  trans-75.9130.6175.3-162.2-108.2000109.4L202F200-L202 HydrophobicContact CD1-CD1 4.41Å; F200-L202 HydrophobicContact CD1-CG 4Å; F200-L202 HydrophobicContact CE1-CD1 4.26Å; F200-L202 HydrophobicContact CE1-CD2 3.75Å; F200-L202 HydrophobicContact CE1-CG 3.74Å
201D51.3Low42.8Very low105 Ų105150.1 Ų150.156%0.56177%0.765SS**  trans-128.5121.4-179.8-156.2-26.1000109.5
202L51.3Low43.4Very low128 Ų128147.1 Ų147.167%0.6777%0.766SS**THydrogen-bonded Turntrans-93.1-2.9-164-93.1164.8000114.1F200F200-L202 HydrophobicContact CD1-CD1 4.41Å; F200-L202 HydrophobicContact CD1-CG 4Å; F200-L202 HydrophobicContact CE1-CD1 4.26Å; F200-L202 HydrophobicContact CE1-CD2 3.75Å; F200-L202 HydrophobicContact CE1-CG 3.74Å
203L52.1Low43.6Very low155 Ų155145 Ų14581%0.81277%0.773SS**THydrogen-bonded Turntrans-89.7-1.6-173.8-78.875.3000114.2
204S52.7Low44.3Very low108 Ų108143.5 Ų143.576%0.75578%0.777SS**SBendtrans-95.3-11.6-175.9-57.60000115.8
205D46.3Very low44.8Very low153 Ų153143 Ų14382%0.81878%0.784SS**SBendtrans-94.2-21.5-172.1-16148.5000113.6G207D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.93Å
206L50Low44.8Very low177 Ų177139.6 Ų139.693%0.92778%0.776SS**SBendtrans-90.528.3-174.6-143.774.3000114
207G51.2Low45.1Very low73 Ų73139.2 Ų139.275%0.75378%0.784SS**  trans-113.416.6-172.400000115.8D205D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.93Å
208G46.1Very low44.9Very low69 Ų69137.6 Ų137.671%0.71178%0.781SS**  trans-80.8126.8-178.200000113.9
209D52.5Low44.5Very low132 Ų132134.6 Ų134.671%0.70678%0.784SS**  trans-69.8139.7173.5-169.9-11.4000111.5F211D209-F211 PolarHBondContact OD1-N 2.96Å
210I53.2Low44.1Very low153 Ų153130 Ų13079%0.78578%0.782SS**SBendtrans-91.4-13.7-175.5-73.4173.8000112.4
211F45.1Very low44.4Very low188 Ų188127.9 Ų127.983%0.82579%0.786SS**  trans-96.28.8-172.5-74.8-82.1000116.1D209D209-F211 PolarHBondContact OD1-N 2.96Å
212A47.3Very low43.5Very low86 Ų86126.2 Ų126.271%0.71179%0.793SS**PPolyproline II helixtrans-81.2120.3176.900000112.7
213A36.5Very low42.8Very low94 Ų94126.3 Ų126.378%0.77781%0.805SS**PPolyproline II helixtrans-82.9145.817900000113.1
214P43.9Very low41.8Very low126 Ų126122.3 Ų122.382%0.81880%0.801SS**PPolyproline II helixtrans-85.2147.9-175.233.6-35.8000114
215T40.5Very low40.9Very low149 Ų149127.7 Ų127.791%0.91481%0.811SS**  trans-117.7159.8163.252.20000110.5
216N34Very low40.6Very low139 Ų139124.3 Ų124.374%0.74381%0.805SS**  trans-138126.5-161171.67.4000111.5
217V36.9Very low39.7Very low147 Ų147122.4 Ų122.489%0.89180%0.796SS**  trans-161.8151.8139.4-99.50000111.4
218N32.6Very low38.8Very low148 Ų148129.1 Ų129.179%0.79180%0.804SS**  trans-79.1152.3-173-62.3-52.5000115
219S29.3Very low38.3Very low127 Ų127129.6 Ų129.689%0.88880%0.802SS**  -169.8146.6111.2-78.20000112.6
220A33.3Very low37.3Very low94 Ų94132 Ų13278%0.77781%0.808SS**  trans-115.1-177.5-176.800000110
221P47.4Very low36.4Very low134 Ų134134.6 Ų134.687%0.8781%0.814SS**  cis-133.2178.54.942.2-24.9000115.8
222G31.1Very low35.8Very low70 Ų70132.9 Ų132.972%0.72281%0.814SS**  trans-173.38.6179.600000121.5
223S36.4Very low35.2Very low130 Ų130133.6 Ų133.691%0.90981%0.814SS**  trans49.4117.9169.160.70000120.5
224G32.4Very low35Very low71 Ų71138.3 Ų138.373%0.73282%0.819SS**  trans17998.1164.500000116
225F33.1Very low34.5Very low221 Ų221139 Ų13997%0.96982%0.821SS**  trans70.7132.4169.9-70.9-87.8000120.4
226A39.4Very low34.2Very low83 Ų83138.5 Ų138.569%0.68682%0.818SS**  trans-87.5141.1171.300000109.8
227N32.7Very low34.5Very low137 Ų137137.7 Ų137.773%0.73382%0.82SS**  71.6109.760.9-174.317.5000113.9
228F30.8Very low34.2Very low213 Ų213135.7 Ų135.793%0.93482%0.819SS**  trans-126.291.9169.7-82.6-79.2000110.4
229A35.6Very low34.1Very low79 Ų79133.1 Ų133.165%0.65382%0.819SS**  trans-155.8104.716400000110.9
230H31.6Very low34.3Very low183 Ų183130.9 Ų130.985%0.84781%0.808SS**  trans-154109.2158.6-131.7-69.7000111.4
231F33.9Very low34.3Very low207 Ų207135.6 Ų135.691%0.90881%0.814SS**  trans-70148.1153.6-89.8-107000108.4
232N33.6Very low33.6Very low152 Ų152136.2 Ų136.281%0.81381%0.81SS**  trans-139.8118.1166.6-162.5-1.8000109.9
233S33.4Very low33.7Very low102 Ų102138.1 Ų138.171%0.71381%0.807SS**  trans-102.7128.8179.252.50000109.8T235S233-T235 PolarHBondContact O-N 3.04Å
234H33Very low33.5Very low193 Ų193136.9 Ų136.989%0.89480%0.799SS**  trans-62.8122.8179.8-74.3-93.6000113.4
235T33.2Very low33.5Very low140 Ų140138.6 Ų138.686%0.85981%0.806SS**  trans-151160.5146.329.30000110.8S233S233-T235 PolarHBondContact O-N 3.04Å
236T34.6Very low33.4Very low138 Ų138131.8 Ų131.885%0.84780%0.798SS**  trans-89.8162-17142.20000114.2
237P40.8Very low33.1Very low122 Ų122133.3 Ų133.379%0.79281%0.811SS**  trans-93.3168.2-165.737.1-37.9000116.4
238A30.3Very low33Very low105 Ų105130.4 Ų130.487%0.86881%0.813SS**  trans74.1137.4168.900000116.2
239A30.9Very low33Very low95 Ų95130.6 Ų130.679%0.78581%0.814SS**  cis-155.1169.610.900000114
240A32.4Very low33Very low80 Ų80131.1 Ų131.166%0.66182%0.818SS**  trans70.7117.1150.900000122.1
241Q34.7Very low32.9Very low193 Ų193129.5 Ų129.590%0.90282%0.816SS**  trans68.8154.5142.2-59.3171.934.500119.3
242N31.6Very low32.8Very low146 Ų146128.1 Ų128.178%0.78181%0.81SS**  cis-165.8164.6-34.3-167.69.2000108.6
243V34.1Very low32.8Very low110 Ų110128.1 Ų128.167%0.66781%0.81SS**  trans75.7119.3162.9-172.50000119.8
244S31.1Very low32.6Very low105 Ų105126.4 Ų126.473%0.73480%0.802SS**  trans30.8127.7142.1-51.70000121.4
245A33.5Very low32.5Very low107 Ų107127.5 Ų127.588%0.88481%0.805SS**  64.1138.472.200000114.7
246G30.6Very low32.1Very low78 Ų78124 Ų12480%0.80480%0.796SS**  cis-160.9-161.26.400000113.2
247A33.2Very low31.8Very low115 Ų115125.5 Ų125.595%0.9580%0.799SS**  trans-80.4155.6-169.500000115.3
248G30.2Very low31.5Very low76 Ų76126 Ų12678%0.78480%0.8SS**  trans-169.9151172.700000112.2
249F31.1Very low32.1Very low216 Ų216127 Ų12795%0.94780%0.797SS**  trans-124152.5-172.1-112.1-99.2000112.5
250A34.7Very low32.2Very low90 Ų90126.7 Ų126.774%0.74480%0.795SS**  trans78126.6146.300000123.1
251N29.8Very low32.7Very low149 Ų149128 Ų12880%0.79780%0.797SS**  trans94.1160.4135.3-129.7-6.8000122.1
252F32.9Very low32.6Very low179 Ų179127.8 Ų127.879%0.78580%0.796SS**  trans-73.8160-174-74.5-122.8000111.9
253D33Very low32.4Very low151 Ų151124.7 Ų124.781%0.80779%0.791SS**  -172.2164.766.3-128.5-37.7000117.5
254A29Very low32.1Very low67 Ų67125.3 Ų125.355%0.55480%0.8SS**  trans19.9151.8157.900000127.1
255F29.7Very low32Very low216 Ų216130.2 Ų130.295%0.94781%0.808SS**  trans66.8150.2166.8-58.3-82000118
256G26.2Very low32Very low66 Ų66134 Ų13468%0.6881%0.808SS**  cis172.9171.5-7.100000113.5
257N28.8Very low33.1Very low170 Ų170135.2 Ų135.291%0.90980%0.801SS**  trans80.4138170-69.7-13.8000122.8
258T34.1Very low33.8Very low131 Ų131135.5 Ų135.580%0.80479%0.793SS**  trans-79.5174.6171.534.30000112.3
259P42.7Very low33.9Very low126 Ų126139.1 Ų139.182%0.81880%0.795SS**  cis-146.8-17935.442.5-20.3000119.8
260A32.8Very low34Very low89 Ų89136 Ų13674%0.73679%0.794SS**  trans-93.5-178.6173.900000112.5
261P43.3Very low33.9Very low108 Ų108135.9 Ų135.970%0.70179%0.793SS**  -152.9161.196.639.8-22.7000118.3
262Q31.1Very low33.9Very low188 Ų188139.4 Ų139.488%0.87980%0.802SS**  trans69149.5145.2-77.5170.8-4.100120.5
263A28.7Very low33.9Very low81 Ų81135.1 Ų135.167%0.66980%0.799SS**  cis-158.6153.8-7.800000114.8
264S27.5Very low33.8Very low124 Ų124135.1 Ų135.187%0.86780%0.804SS**  trans53.1138.6141.8-56.70000124.8
265F29.2Very low34Very low207 Ų207138.7 Ų138.791%0.90881%0.813SS**  trans-115149.3169.5-113-102.2000110.5
266Q33.1Very low34Very low188 Ų188134.4 Ų134.488%0.87981%0.81SS**  trans168163.3134.6-85.5-119.2-77.700112.7
267P53.6Low34.4Very low102 Ų102135.7 Ų135.766%0.66281%0.809SS**  trans-117.3177.3-154.743.3-35.1000116.7
268P47.3Very low34.6Very low121 Ų121133.8 Ų133.879%0.78681%0.808SS**  trans-109.2172.8169.739.5-31.4000115.4
269N32.9Very low34.7Very low152 Ų152139.1 Ų139.181%0.81381%0.814SS**  trans-99.1166.9-175.8-60.5-78.8000114.1
270T33.8Very low34.1Very low151 Ų151138.8 Ų138.893%0.92682%0.815SS**  168.2176.1116.637.20000112
271A32.1Very low34.4Very low87 Ų87141.2 Ų141.272%0.71982%0.82SS**  trans-142164-168.500000113
272F30.8Very low33.8Very low224 Ų224139.2 Ų139.298%0.98282%0.819SS**  trans-174.6-179.3132.8-107.3-72000111.1
273A33.2Very low33.9Very low88 Ų88138.3 Ų138.373%0.72782%0.815SS**  trans-136164.1-156.200000116
274V30.9Very low34Very low152 Ų152143 Ų14392%0.92182%0.82SS**  trans-140155158.6176.70000109.6
275L32.6Very low34.2Very low142 Ų142142.2 Ų142.274%0.74381%0.811SS**  trans-97.8145.7-166.4-175.377000114.3
276S28.9Very low34.5Very low125 Ų125136.7 Ų136.787%0.87480%0.804SS**  trans-162.9153.7141.7-85.20000111.3
277S35.6Very low34.4Very low94 Ų94132.1 Ų132.166%0.65780%0.798SS**  trans-131.1146-155.1-51.10000114.3
278S33Very low33.7Very low129 Ų129135.1 Ų135.190%0.90281%0.807SS**  -179.1168.9128.7-83.20000112.9
279R36.2Very low33.9Very low243 Ų243134.8 Ų134.892%0.91781%0.805SS**  trans-117.5152.6-165.2-55.7173.7176.8178.4-2.8113.8
280S30.4Very low33.8Very low120 Ų120134.2 Ų134.284%0.83980%0.801SS**  trans-156.6167.3133.3-158.40000110.1
281V37.9Very low33.6Very low139 Ų139135.1 Ų135.184%0.84280%0.795SS**  trans-145.6161.3-158.4-66.30000115.2
282G30.9Very low33.5Very low67 Ų67136.3 Ų136.369%0.69180%0.798SS**  trans119.8111.1174.800000112.4
283E32.8Very low33.6Very low168 Ų168129.9 Ų129.979%0.78578%0.781SS**  cis66.8123.620.6-13795-15300111.3
284F32.1Very low33.4Very low179 Ų179133.6 Ų133.679%0.78578%0.783SS**  cis-143.3175.440.5-140.8-95.7000115.8
285T31.5Very low33.3Very low108 Ų108131.3 Ų131.366%0.66377%0.774SS**  trans-82.3-173.1-177.460.90000113.1
286A35.9Very low33.1Very low92 Ų92130 Ų13076%0.7678%0.777SS**  cis-152.3-154.514.900000109.7
287A30.4Very low33.1Very low91 Ų91128.8 Ų128.875%0.75277%0.774SS**  cis-162173.9700000112.8
288L38.3Very low32.8Very low166 Ų166130.1 Ų130.187%0.86978%0.783SS**  trans-141.9150.8158.7-81.2171.5000107.9
289P52Low32.4Very low114 Ų114128 Ų12874%0.7478%0.782SS**  -147.2-154.3102.937.6-16.8000110.6
290L30Very low31.9Very low139 Ų139120.1 Ų120.173%0.72878%0.776SS**  cis-156.8114.20.6-154.5138.9000106.2
291Q31Very low31.9Very low171 Ų171123.1 Ų123.180%0.79978%0.781SS**  78.4138.279.1-166.8179.49.300116.4
292S30.1Very low31.5Very low111 Ų111121.6 Ų121.678%0.77678%0.784SS**  trans-151.7-172.6170.464.50000111.6
293S31.8Very low32Very low90 Ų90126 Ų12663%0.62979%0.791SS**  trans-160.5175.4-168.145.80000110
294H29.1Very low32.2Very low165 Ų165122.3 Ų122.376%0.76479%0.79SS**  cis-155.8154.229.3-87.9-76.8000113.7
295S28Very low32.1Very low105 Ų105120 Ų12073%0.73479%0.785SS**  trans50.4150.6137.9-52.80000123.5
296S29Very low32.3Very low115 Ų115123.1 Ų123.180%0.80479%0.79SS**  cis-175.8154.9-27.1-99.80000112
297A29.7Very low32.2Very low98 Ų98123.5 Ų123.581%0.8179%0.793SS**  trans91.6147157.600000122.3
298S28.5Very low32.2Very low123 Ų123124 Ų12486%0.8678%0.783SS**  trans81.478.2159.8-57.50000122.1
299G25.3Very low31.8Very low85 Ų85126 Ų12688%0.87679%0.786SS**  69.310612000000123.2
300G25.9Very low31.3Very low76 Ų76127.2 Ų127.278%0.78479%0.786SS**  trans95.9133136.700000119.7
301L30.4Very low31.5Very low183 Ų183127 Ų12796%0.95879%0.785SS**  trans55.9114.5161-58.2174.1000119.5
302A28.6Very low31.9Very low108 Ų108128.7 Ų128.789%0.89379%0.79SS**  trans-175.3160.6139.700000112.3
303N41.8Very low32.6Very low159 Ų159128.8 Ų128.885%0.8579%0.788SS**  trans-141105.9175.5171.656.8000110.6
304A36.1Very low32.8Very low91 Ų91134 Ų13475%0.75280%0.799SS**  trans-174.5172.8-176.600000111.5
305N31.7Very low33Very low129 Ų129131.8 Ų131.869%0.6980%0.802SS**  -175.9171.9-52.3-121.9-50.9000109.6
306F34.3Very low33.3Very low175 Ų175132.9 Ų132.977%0.76881%0.809SS**  trans69.3159.8169.3-61.5-66.1000118.2N308F306-N308 HydrophobicContact CD1-CB 3.91Å
307A33.7Very low33.6Very low99 Ų99132.8 Ų132.882%0.81881%0.808SS**  cis-67.9149.9-1.700000113.3
308N30.8Very low33.9Very low102 Ų102132.3 Ų132.355%0.54580%0.804SS.*  cis84.9106.729.5-165.67.5000115.5F306F306-N308 HydrophobicContact CD1-CB 3.91Å
309F30.9Very low34.1Very low209 Ų209133.7 Ų133.792%0.91780%0.802SS**  -156.6118.6129-118.1-72.3000111.3
310D41Very low34.5Very low139 Ų139139.6 Ų139.674%0.74380%0.804SS**  trans-71.3135.4166.4-79.2-83.4000111.9
311N33.9Very low34.8Very low134 Ų134139.6 Ų139.672%0.71780%0.803SS**  -176.3111.7117.5-148.8-81.3000112.5
312F39.8Very low35Very low207 Ų207136.6 Ų136.691%0.90880%0.798SS**  trans-161.8113.8156-101.6-69000110.7
313P45.5Very low35.1Very low112 Ų112140.4 Ų140.473%0.72780%0.795SS**  trans-79.1145.8177.431-33.8000112.5
314K34.5Very low34.6Very low200 Ų200138.6 Ų138.687%0.8779%0.794SS**  trans-98.7138.7169.6-68178.2179.51750111
315S34.2Very low34.5Very low118 Ų118140.2 Ų140.283%0.82580%0.8SS**  trans164.5151.9144.1-75.10000108.6
316C34.4Very low34.5Very low129 Ų129139.9 Ų139.987%0.87281%0.808SS**  cis-126.5177.45.7-490000111.4
317S35.8Very low34.4Very low112 Ų112137.5 Ų137.578%0.78381%0.813SS**  trans-123.2-171.9176.856.90000112.2
318A34.6Very low34.3Very low88 Ų88142.4 Ų142.473%0.72782%0.819SS**  trans75147.5171.100000116.8
319D33.4Very low34.3Very low152 Ų152142.8 Ų142.881%0.81383%0.829SS**  cis-158.8174.8-30.6-142.2-72.8000109.8
320F32.8Very low34.4Very low210 Ų210140.8 Ų140.892%0.92183%0.828SS**  trans-100.2101.4178.1-95.6-91.7000112.6
321G32.7Very low34Very low75 Ų75139 Ų13977%0.77383%0.827SS**  trans-96124.3173.200000113.2
322S33.8Very low33.9Very low120 Ų120139.1 Ų139.184%0.83983%0.833SS**  trans-77.7153.8171.1-168.60000111.6
323F31.7Very low33.5Very low189 Ų189139.3 Ų139.383%0.82983%0.827SS**  trans-113.4129.8174.655.1-94.8000112.1
324S30Very low32.9Very low121 Ų121138 Ų13885%0.84683%0.826SS**  trans-137.2135.5166.4-71.90000108.3
325S33.9Very low32.7Very low124 Ų124132.8 Ų132.887%0.86781%0.807SS**  trans-95.5124-167.6-58.10000113.1
326S32.7Very low32.8Very low123 Ų123137 Ų13786%0.8681%0.805SS**  trans-161.6136.9147.851.70000110
327S31.8Very low32.5Very low124 Ų124137.7 Ų137.787%0.86780%0.8SS**  trans-128.5136.4178.1460000110.2
328Q32.2Very low32.3Very low202 Ų202138.3 Ų138.394%0.94480%0.799SS**  trans-144.4151.2171.5-162.7168.796.100108.6
329S31.3Very low32.1Very low110 Ų110140.2 Ų140.277%0.76980%0.802SS**  trans-125.7147.7-155.841.50000113.5
330N31.4Very low31.9Very low167 Ų167141.4 Ų141.489%0.89380%0.802SS**  trans-162.5173.2139.3-125.7-32.9000113.6
331S32.7Very low31.7Very low101 Ų101135.7 Ų135.771%0.70679%0.788SS**  trans-149.1148.1-158.159.90000116.8
332T31.6Very low31.5Very low138 Ų138138.5 Ų138.585%0.84779%0.79SS**  trans-159.5116.6151.238.80000108.7
333R31.9Very low31.4Very low211 Ų211140.1 Ų140.180%0.79679%0.79SS**  63.6145.588.6-128-158.3155.1168.1-6.6113.9D335R333-D335 IonicContact CZ-OD2 2.72Å; R333-D335 IonicContact NE-OD2 2.74Å; R333-D335 PolarHBondContact NE-OD2 2.73Å; R333-D335 IonicContact NH2-OD1 2.83Å; R333-D335 IonicContact NH2-OD2 3.25Å; R333-D335 PolarHBondContact NH2-OD2 3.41Å
334A33.2Very low31.6Very low84 Ų84137.7 Ų137.769%0.69479%0.79SS**  cis-160.2173.116.900000111.7
335D30.4Very low32.2Very low90 Ų90136.5 Ų136.548%0.48178%0.779SS.*  cis-150-50.3-5.8-146-121.6000115.8R333R333-D335 IonicContact CZ-OD2 2.72Å; R333-D335 IonicContact NE-OD2 2.74Å; R333-D335 PolarHBondContact NE-OD2 2.73Å; R333-D335 IonicContact NH2-OD1 2.83Å; R333-D335 IonicContact NH2-OD2 3.25Å; R333-D335 PolarHBondContact NH2-OD2 3.41Å
336R36.2Very low32.3Very low207 Ų207136 Ų13678%0.78177%0.766SS**  trans-145.8147.5-159.6-70.1175.3-167.7-148.5-9.1113.9
337D29Very low32.7Very low143 Ų143137.2 Ų137.277%0.76576%0.763SS**  -160153.959.5-133.2-24.4000117.6
338V30.7Very low33.7Very low126 Ų126141.2 Ų141.276%0.76476%0.759SS**  trans49144.2150.8153.50000125.2
339V30Very low34.4Very low128 Ų128142.5 Ų142.578%0.77676%0.757SS**  trans78.875.5177.8-1570000120
340Q28.9Very low35.2Very low176 Ų176141.2 Ų141.282%0.82275%0.752SS**  51.6126.8118.5-165.1157.62.600123.5
341S28.8Very low35.9Very low91 Ų91137.2 Ų137.264%0.63674%0.743SS**  trans84.984.9155.4-69.20000121
342T29.1Very low36.2Very low133 Ų133140 Ų14082%0.81675%0.749SS**  trans64.188.5130.157.10000119.5
343N30.9Very low37Very low154 Ų154138.1 Ų138.182%0.82475%0.747SS**  trans-140.4122.3135.3-149.5-79.4000109.9
344V36.3Very low37.9Very low139 Ų139134.4 Ų134.484%0.84274%0.743SS**  trans-139.9136171178.60000106.5
345P43.5Very low38.6Very low95 Ų95136.5 Ų136.562%0.61774%0.742SS**  trans-104.2153.4-149.238.6-36000115.5
346I35.7Very low39.2Very low115 Ų115139.7 Ų139.759%0.5976%0.759SS**  trans50.791.9137-58.8171.7000115.7R348I346-R348 HydrophobicContact CG2-CB 3.52Å; I346-R348 HydrophobicContact CG2-CG 3.59Å
347D40.3Very low39.8Very low147 Ų147136.6 Ų136.679%0.78676%0.758SS**  trans-96.398.6146.9-147.7-29000108.1Y349D347-Y349 VanDerWaalsContact C-N 3.28Å; D347-Y349 PolarHBondContact O-N 3.23Å
348R52.6Low40.7Very low208 Ų208137 Ų13779%0.78576%0.757SS**THydrogen-bonded Turntrans-86.315.2-160.1-134.7171.7-157.9166.24.9115.3I346I346-R348 HydrophobicContact CG2-CB 3.52Å; I346-R348 HydrophobicContact CG2-CG 3.59Å
349Y48.3Very low41.2Very low230 Ų230140.8 Ų140.890%0.90276%0.764SS**THydrogen-bonded Turntrans-127.86-173.7-110.3-88.6000115.7D347D347-Y349 VanDerWaalsContact C-N 3.28Å; D347-Y349 PolarHBondContact O-N 3.23Å
350A48.4Very low41.6Very low82 Ų82139.8 Ų139.868%0.67876%0.763SS**SBendtrans-95.9-9.6-18000000115.2
351A45.5Very low42Very low84 Ų84137.3 Ų137.369%0.69477%0.765SS**SBendtrans-108.930.9-161.400000115.8
352L39.8Very low42.2Very low159 Ų159137.6 Ų137.683%0.83277%0.773SS**SBendtrans-131.618.2175.8-74177.9000114.1
353A47.8Very low42.4Very low98 Ų98140.9 Ų140.981%0.8178%0.776SS**SBendtrans-87.8-10.4173.400000113.9
354D50.1Low42.5Very low134 Ų134140 Ų14072%0.71778%0.776SS**SBendtrans-13836.9-159.5-138-15.4000113.8
355L47.1Very low42.3Very low127 Ų127141.7 Ų141.767%0.66578%0.775SS**SBendtrans-125.59.1175.9-77179.1000114.8
356D44.4Very low41.6Very low158 Ų158147 Ų14785%0.84579%0.791SS**SBendtrans-80.5-31.8170.1-156.5-121.3000111.4M358D356-M358 VanDerWaalsContact C-N 3.29Å; D356-M358 PolarHBondContact O-N 3.16Å; D356-M358 VanDerWaalsContact O-N 3.14Å
357N49.5Very low41.2Very low142 Ų142145.4 Ų145.476%0.75980%0.803SS**THydrogen-bonded Turntrans-85.116.9-168-150.27.5000115.2
358M45.9Very low40.8Very low150 Ų150142.5 Ų142.574%0.73981%0.808SS**THydrogen-bonded Turntrans-114.1-0.8-179.2-84.8-139.571.100115.2D356D356-M358 VanDerWaalsContact C-N 3.29Å; D356-M358 PolarHBondContact O-N 3.16Å; D356-M358 VanDerWaalsContact O-N 3.14Å
359F41.7Very low39.6Very low206 Ų206136.4 Ų136.490%0.90481%0.81SS**SBendtrans-120.237.9175.7-103.8-83000113.9
360S39.2Very low38.9Very low108 Ų108133.7 Ų133.776%0.75581%0.81SS**SBendtrans-146.653.6170.1-79.60000114.1
361S36.6Very low38.1Very low124 Ų124135 Ų13587%0.86782%0.82SS**  trans-162.8108.2158.8-84.70000112.1
362A32.9Very low37.2Very low97 Ų97135 Ų13580%0.80283%0.828SS**  trans-155.888.4175.200000111.6
363K34.1Very low36.5Very low202 Ų202130.8 Ų130.888%0.87882%0.823SS**  trans101134.9-170.5-65.4-179.5170.6-172.30112.9
364T32.4Very low35.5Very low134 Ų134132.8 Ų132.882%0.82283%0.825SS**  cis-130.2174.823.9-56.10000112.4
365E31.5Very low34.5Very low176 Ų176131.2 Ų131.282%0.82283%0.825SS**  trans-96165.8-167.3-62.2162.2109.700115.2
366E29.1Very low33.6Very low205 Ų205130.2 Ų130.296%0.95883%0.829SS**  trans65.6152.5163.8-60.2-157.4114.900121.3
367G28.7Very low32.8Very low82 Ų82127.7 Ų127.785%0.84583%0.829SS**  trans125.138162.600000119
368G31.4Very low31.7Very low86 Ų86125.3 Ų125.389%0.88783%0.829SS**  trans-73.7152.2178.900000115.3
369G28.3Very low30.9Very low81 Ų81123 Ų12384%0.83584%0.835SS**  trans-140.4130.9174.800000112.2
370I33.3Very low30.2Very low173 Ų173117.5 Ų117.589%0.88783%0.827SS**  trans-120.2167.8-168.958.3165.8000112.8
371A30.9Very low29.8Very low108 Ų108117 Ų11789%0.89383%0.829SS**  trans-143123.3159.200000110.8
372G26.2Very low29.5Very low85 Ų85116.2 Ų116.288%0.87682%0.824SS**  trans146.767.7170.700000116.9
373G25.5Very low29.4Very low70 Ų70116.8 Ų116.872%0.72283%0.828SS**  trans16398.4165.200000118.7
374V26.5Very low29.2Very low140 Ų140110.3 Ų110.385%0.84882%0.819SS**  trans52.3124.2137.565.30000122.8
375S29.1Very low29Very low101 Ų101111.2 Ų111.271%0.70682%0.824SS**  trans78.7100.2150.7-72.30000123.4
376S29Very low29Very low107 Ų107107.3 Ų107.375%0.74882%0.822SS**  82.3124.6112.9-580000123
377A27.5Very low28.9Very low104 Ų104101.2 Ų101.286%0.8681%0.814SS**  trans69.9154.815400000119.1
378A27Very low28.9Very low92 Ų92104.7 Ų104.776%0.7681%0.812SS**  cis-168.8146.6-31.600000109.6
379A27.2Very low29.6Very low103 Ų103105.3 Ų105.385%0.85180%0.801SS**  trans61.4168.616800000117.1
380A27.4Very low29.8Very low89 Ų89108.8 Ų108.874%0.73680%0.795SS**  cis-167.3154.2-42.100000109.4
381A30.4Very low29.6Very low98 Ų98107.5 Ų107.581%0.8178%0.783SS**  trans63.8160.4160.300000117.5
382S30.9Very low29.6Very low108 Ų108109.4 Ų109.476%0.75577%0.774SS**  cis-168.8146.8-2651.50000111.3
383A31.2Very low29.8Very low108 Ų108110 Ų11089%0.89376%0.764SS**  trans63.2145.715800000119.2
384G29Very low30Very low66 Ų66111.8 Ų111.868%0.6877%0.773SS**  cis163.5-175.2-7.600000113.5
385V29.6Very low30.1Very low153 Ų153108.9 Ų108.993%0.92777%0.771SS**  trans66.9135.8167.8164.50000116.8
386A31.1Very low30.3Very low95 Ų95112.6 Ų112.679%0.78578%0.781SS**  cis-163.6153.6-25.600000108.8
387G27.9Very low30.4Very low76 Ų76112.2 Ų112.278%0.78478%0.784SS**  trans148.972.8167.900000116.3
388L28.8Very low31Very low155 Ų155112.4 Ų112.481%0.81279%0.786SS**  trans-108.6169160.2-121.481000107.7
389P44.4Very low31.5Very low100 Ų100111.2 Ų111.265%0.64978%0.783SS**  cis-146.8151.541.144-24.2000118.9
390Q32.8Very low32.1Very low154 Ų154114.1 Ų114.172%0.7278%0.784SS**  67.7146.3128.3-74.2177.5-133.900121.8
391K29.5Very low33.3Very low145 Ų145121 Ų12163%0.6379%0.791SS**  cis-170.6153.1-13.7-136-179.5167.5-1500110.6
392Q31.1Very low34.2Very low148 Ų148126.7 Ų126.769%0.69279%0.793SS**  trans55.4147.4144.6-82.3174.2-4100120.7
393S29.9Very low34.8Very low97 Ų97125.9 Ų125.968%0.67879%0.792SS**  cis-174147.9-20.340.80000113.2
394A30.8Very low35.3Very low109 Ų109125.5 Ų125.590%0.90179%0.789SS**  trans52.3122.5141.100000121.1
395G28.4Very low35.7Very low78 Ų78130 Ų13080%0.80480%0.797SS**  trans-172.7129.6160.600000109.9
396I32.1Very low36.5Very low179 Ų179126.9 Ų126.992%0.91879%0.787SS**  trans-102.5126.8-176.4-61.1173.8000110.2
397A32.8Very low37.2Very low99 Ų99130.6 Ų130.682%0.81879%0.789SS**  trans-153.8141.9154.600000109.3
398A38.3Very low37.9Very low108 Ų108135.5 Ų135.589%0.89380%0.796SS**  trans-101.7135.9170.200000109.2
399G38.9Very low38.3Very low68 Ų68135.6 Ų135.670%0.70180%0.797SS**  trans-165.3-40.4-178.500000116.5R401G399-R401 PolarHBondContact O-N 3.02Å
400D39.4Very low38.6Very low163 Ų163136.9 Ų136.987%0.87280%0.803SS**  trans-7991.5-163.2-60.5-45.8000114.7
401R53.3Low39.3Very low234 Ų234135.4 Ų135.488%0.88381%0.805SS**SBendtrans-128.79.7168.3-56.2-149.1-56.7-159.24.8115.3G399G399-R401 PolarHBondContact O-N 3.02Å
402Y47.5Very low39.5Very low218 Ų218138.3 Ų138.386%0.85582%0.818SS**SBendtrans-146.976.7178-109.9-85.2000112.3
403A44.1Very low39.6Very low90 Ų90137.1 Ų137.174%0.74483%0.825SS**  trans-140.2-7.9174.500000114.5
404A41.2Very low39.8Very low100 Ų100138.3 Ų138.383%0.82683%0.834SS**SBendtrans-105.940.8-166.800000114.4
405L38.6Very low39.9Very low160 Ų160138.6 Ų138.684%0.83883%0.829SS**SBendtrans-134.622176.1-73.2177.4000113.4
406A45.2Very low40.2Very low89 Ų89138.9 Ų138.974%0.73682%0.824SS**SBendtrans-107.7-6.9179.400000114.6
407E47.2Very low40.6Very low173 Ų173136.9 Ų136.981%0.80882%0.823SS**SBendtrans-125.249.7-169.9-63.3-163.6138.700114
408L42.1Very low40.6Very low179 Ų179136.6 Ų136.694%0.93782%0.82SS**SBendtrans-140.933.1167.8-80.3-175.3000114
409D37.7Very low40.2Very low157 Ų157137.7 Ų137.784%0.8482%0.816SS**SBendtrans-116.216.2175.2-160.540.6000113.4
410T49.1Very low40Very low126 Ų126139.5 Ų139.577%0.77382%0.818SS**  trans-115.117.6-167.734.30000115.1
411V47.9Very low39.7Very low124 Ų124136.9 Ų136.975%0.75281%0.807SS**SBendtrans-137.761.2176.6-1610000113.1
412F34.4Very low38.6Very low206 Ų206135.5 Ų135.590%0.90480%0.804SS**SBendtrans-176.275.3144.5-99.2-59.8000112.8
413S31.8Very low37.7Very low122 Ų122131.5 Ų131.585%0.85380%0.797SS**  trans-161.494.7161.4-900000113.6
414S34.3Very low37Very low123 Ų123132.2 Ų132.286%0.8679%0.793SS**  trans-176139.9159.4-86.40000108.9
415S34.2Very low36.4Very low114 Ų114132.9 Ų132.980%0.79779%0.791SS**  cis-156.6156.9-11.1-170.20000109.7
416A35Very low35.9Very low84 Ų84131.2 Ų131.269%0.69479%0.793SS**  trans-125.6135167.400000108.6
417P39.2Very low35.2Very low138 Ų138133.4 Ų133.490%0.89680%0.797SS**  trans-72142.7-17028.8-34.9000112.5
418A32.1Very low34.5Very low92 Ų92130.4 Ų130.476%0.7680%0.796SS**  trans-111.4155.3-177.400000112.3
419T31.9Very low34Very low131 Ų131131.3 Ų131.380%0.80480%0.795SS**  trans-174.8119.214125.80000107.8
420S33.7Very low33.6Very low107 Ų107126.9 Ų126.975%0.74879%0.786SS**  79.3130.575.7-79.70000113.7
421V33.4Very low32.8Very low107 Ų107128.8 Ų128.865%0.64879%0.791SS**  cis-156.6173.6-4.2-146.60000110.8
422Y30.6Very low32Very low205 Ų205128.4 Ų128.480%0.80479%0.789SS**  trans79.798.9148.3-66.1-49.5000123.4
423N28.8Very low31.8Very low135 Ų135128.9 Ų128.972%0.72279%0.791SS**  92.8143.7105-14421.5000123.2
424T27.5Very low31.7Very low105 Ų105126 Ų12664%0.64478%0.781SS**  trans57107158.440.20000122.7
425S28.7Very low31.7Very low114 Ų114125 Ų12580%0.79777%0.774SS**  41.6126.2115-45.60000121.9
426S29.1Very low31.5Very low125 Ų125127.6 Ų127.687%0.87477%0.773SS**  -176.8165.6114590000115.3
427T29.7Very low31.3Very low134 Ų134128.9 Ų128.982%0.82277%0.773SS**  trans-65.7156.5-175.5-53.70000116.2
428S33.8Very low30.9Very low111 Ų111128.1 Ų128.178%0.77677%0.765SS**  trans-85.7118.6178.555.40000115.9
429Q31.3Very low30.9Very low198 Ų198128.1 Ų128.193%0.92577%0.765SS**  trans-155.9161.8157.1-70.1-163.6-6.200109
430G29Very low30.9Very low63 Ų63126.8 Ų126.865%0.64976%0.761SS**  cis163.2108.4-9.100000112.7
431N32.6Very low30.9Very low166 Ų166125.9 Ų125.989%0.88876%0.761SS**  trans60.3176.1-173.5-58.8-5.8000112.9
432V30.9Very low30.9Very low116 Ų116130 Ų13070%0.70377%0.772SS**  cis-154.4133.921.1-174.40000110.4
433F30.9Very low31Very low217 Ų217123.4 Ų123.495%0.95276%0.761SS**  trans52.6161.3160.9-78.2-126.9000119.5
434G29Very low31.2Very low61 Ų61124.9 Ų124.963%0.62976%0.763SS**  cis170.8168.6-4.800000112.1
435S33.6Very low31.5Very low103 Ų103127.8 Ų127.872%0.7277%0.77SS**  trans64.8121.7178.2-85.70000117.4
436E30Very low31.5Very low167 Ų167127.4 Ų127.478%0.7877%0.773SS**  81.814686.2-75.6-178.5121.400114.4
437T31.7Very low31.7Very low111 Ų111130 Ų13068%0.68177%0.774SS**  cis-159.5166.99.32.20000111.4
438V29.9Very low32.5Very low122 Ų122129.9 Ų129.974%0.73978%0.775SS**  trans52.8110.6146.7175.90000118.7
439A31.8Very low32.3Very low92 Ų92128.1 Ų128.176%0.7678%0.775SS**  63.1160.992.900000115.8
440S32.4Very low32.7Very low103 Ų103127.8 Ų127.872%0.7278%0.775SS**  cis-151.3141.37.4-31.20000108.2
441A34.7Very low33.4Very low89 Ų89130.7 Ų130.774%0.73678%0.783SS**  79148.688.500000117.7
442Q32.6Very low33.5Very low192 Ų192132.5 Ų132.590%0.89779%0.786SS**  trans71.2160.6166.7-61.9177.5-88.900119.6
443A32.6Very low33.4Very low68 Ų68130 Ų13056%0.56278%0.784SS**  cis-176.8148.9-37.600000111.1
444Q32.5Very low33.6Very low165 Ų165130.6 Ų130.677%0.77179%0.787SS**  trans61.1170.8152.7-67.7168.2-93.400118.2
445Q34.8Very low33.6Very low167 Ų167131.8 Ų131.878%0.7880%0.798SS**  cis-167.9139-39.9-103.6176.4-55.600106.7
446A28.6Very low33.7Very low105 Ų105131.6 Ų131.687%0.86880%0.803SS**  trans-166.5146.115600000113.9
447M32.4Very low34.6Very low180 Ų180129.6 Ų129.689%0.88781%0.805SS**  trans-147.8144.1165.9-94.7-77.6-170.100104.9
448P47.7Very low34.9Very low132 Ų132129.8 Ų129.886%0.85781%0.811SS**  -156.4177.279.841-21.5000116.5
449G29Very low35.2Very low74 Ų74129.9 Ų129.976%0.76381%0.812SS**  trans145.9116.915400000117.6
450M40Very low35.4Very low191 Ų191132.8 Ų132.894%0.94181%0.814SS**  trans-113169156.5-121.6101.5171.200107.5
451P44.5Very low35.7Very low123 Ų123132.6 Ų132.680%0.79981%0.811SS**  cis-121.9173.414.341.6-28.8000115.1
452Q33.4Very low35.7Very low204 Ų204138.3 Ų138.395%0.95382%0.819SS**  trans-115.3146.7168.9-107.7-166.5-18.600112
453G29.9Very low35.9Very low65 Ų65136.3 Ų136.367%0.6782%0.82SS**  trans-146.1147.9164.800000110.2
454F34.6Very low35.9Very low229 Ų229137.7 Ų137.7100%1.00483%0.831SS**  trans30.2107.2167.9-74.3-89.6000119.3
455G29.1Very low35.9Very low85 Ų85134.9 Ų134.988%0.87684%0.836SS**  trans174.2119.8162.300000114.3
456A35.6Very low35.8Very low99 Ų99130.4 Ų130.482%0.81884%0.835SS**  trans-115.1174.6163.300000108
457P48.7Very low36Very low125 Ų125132.6 Ų132.681%0.81284%0.837SS**  cis-127.2-176.80.441.2-25.4000114.1
458S37.6Very low36Very low116 Ų116128 Ų12881%0.81183%0.828SS**  trans-83.2154.6170.550.20000112.9
459T37.4Very low35.9Very low124 Ų124127.6 Ų127.676%0.76183%0.825SS**  trans-87.8123.3176.149.90000112.2
460N35.3Very low35.9Very low152 Ų152128.5 Ų128.581%0.81383%0.826SS**  -177.1149.6111.3-88.7-26.8000112.4
461P38.8Very low35.5Very low100 Ų100124.4 Ų124.465%0.64982%0.822SS**  trans-98.8145.6-173.337.3-33.3000113.5
462F33.8Very low35.1Very low209 Ų209122.8 Ų122.892%0.91782%0.819SS**  trans174.852.6132-93.8-60.2000111.6
463V37.1Very low35.8Very low150 Ų150119.3 Ų119.391%0.90982%0.815SS**  trans-132.1124.6161.3176.90000107
464A33.1Very low36.2Very low97 Ų97122.7 Ų122.780%0.80282%0.822SS**  trans-116.8149178.500000110.4
465A32.9Very low36.7Very low106 Ų106119.2 Ų119.288%0.87681%0.814SS**  trans-67.4154.9-168.700000114.3
466G32.7Very low37.3Very low73 Ų73120.5 Ų120.575%0.75381%0.807SS**  trans-99169.6168.900000112.9
467V32.4Very low37.5Very low150 Ų150125.9 Ų125.991%0.90981%0.812SS**  trans-136.7144.5173.4-173.90000109
468A33.4Very low36.8Very low85 Ų85129.5 Ų129.570%0.70282%0.818SS**  trans-86.5-175.417900000111
469P44.9Very low36.7Very low122 Ų122130.4 Ų130.479%0.79282%0.823SS**  cis-144.8-161.39.143.7-22.1000116.2
470A28Very low36.6Very low94 Ų94132.6 Ų132.678%0.77783%0.831SS**  trans90.4125.2151.900000121.7
471A32.7Very low36.5Very low104 Ų104128.5 Ų128.586%0.8682%0.824SS**  trans52.8135.5140.200000123.3
472A36.5Very low36.3Very low90 Ų90135.8 Ų135.874%0.74484%0.838SS**PPolyproline II helixtrans-52.4150.9179.500000118.2
473P47.2Very low36.1Very low131 Ų131130.6 Ų130.685%0.85183%0.834SS**PPolyproline II helixtrans-88.3140.2159.935.1-31.4000112.4
474T39.7Very low35.8Very low136 Ų136127.8 Ų127.883%0.83483%0.827SS**PPolyproline II helixtrans-96.4161.7178.5-14.90000112.5
475N43.5Very low35.8Very low156 Ų156131 Ų13183%0.83483%0.831SS**PPolyproline II helixtrans-64.8140.8177.9-67.4-55.1000113.1F477N475-F477 PolarHBondContact O-N 2.63Å
476P43.4Very low35.7Very low112 Ų112134.8 Ų134.873%0.72783%0.832SS**  trans-97.584.2-173.337.3-35.2000113.9
477F38.9Very low35.6Very low211 Ų211135.9 Ų135.993%0.92583%0.834SS**  trans-144.9113.3156.1-82.3-68.8000110.9N475N475-F477 PolarHBondContact O-N 2.63Å
478Q33.8Very low35.4Very low201 Ų201133.2 Ų133.294%0.93983%0.828SS**  trans-116.6129.1167.1-81.2-168.7-13.100110.3
479C34.8Very low35.2Very low136 Ų136134 Ų13492%0.91983%0.834SS**  trans-141.2144.2146.756.40000108.2
480N35.7Very low34.6Very low170 Ų170133 Ų13391%0.90984%0.836SS**  trans-117.7142.9-159.4-174.83.6000110.6
481G32.7Very low34.7Very low65 Ų65133.6 Ų133.667%0.6784%0.841SS**  trans176.871.2-177.700000120.2
482R34.4Very low34.9Very low253 Ų253133.2 Ų133.296%0.95584%0.838SS**  trans60155.1150.6-71178.9167.9154.3-3.1119.9
483A29.7Very low35.6Very low101 Ų101133.8 Ų133.884%0.83583%0.834SS**  trans-117.5153.7172.800000110.9
484A32.3Very low35.1Very low90 Ų90137.1 Ų137.174%0.74484%0.836SS**  trans-164.7121.1155.900000113.1
485N32Very low34.9Very low166 Ų166133.9 Ų133.989%0.88883%0.83SS**  trans53.7157.1138.2-652.9000124.4
486M31.3Very low34.5Very low184 Ų184133.9 Ų133.991%0.90684%0.835SS**  trans-69.6157.6167.8-46.6168.6-176.500111.8
487A29.8Very low34.2Very low96 Ų96132.5 Ų132.579%0.79384%0.841SS**  166.9142.3107.100000115
488A29.4Very low34Very low95 Ų95127.7 Ų127.779%0.78583%0.834SS**  trans27.9117.4143.100000123.1
489A29.2Very low34.2Very low101 Ų101126.6 Ų126.684%0.83583%0.831SS**  82.4147.5117.400000123.6
490A31.3Very low34.4Very low100 Ų100125.2 Ų125.283%0.82682%0.823SS**  trans102.4137.914600000121
491A31.5Very low34.8Very low107 Ų107125.9 Ų125.988%0.88482%0.823SS**  trans73.3137.1162.600000120.7
492A35.1Very low35.6Very low96 Ų96128.9 Ų128.979%0.79383%0.831SS**  trans-122.5-161170.100000107.6
493P52.3Low35.9Very low103 Ų103122.7 Ų122.767%0.66983%0.826SS**  cis-141-151.124.343.7-21.2000114.9
494F36.5Very low36Very low201 Ų201121 Ų12188%0.88282%0.819SS**  trans71.3121.2-170.1-56.1-83.4000113.5
495G34.8Very low36Very low68 Ų68127.3 Ų127.370%0.70183%0.83SS**  cis103.6133.86.500000111.8
496T35.3Very low36Very low155 Ų155122.7 Ų122.795%0.95182%0.821SS**  cis-152162.3440.40000110.3
497G36.5Very low36.3Very low83 Ų83121.8 Ų121.886%0.85682%0.82SS**  trans164.662.5175.500000117.2
498S36.4Very low36.6Very low111 Ų111121.1 Ų121.178%0.77682%0.815SS**  trans-88.1153.5177.8-53.50000113.5
499M37.9Very low36.7Very low177 Ų177121.5 Ų121.587%0.87282%0.818SS**  trans-179.599131-86.8-48171.300107.3
500S38Very low36.8Very low108 Ų108120 Ų12076%0.75581%0.805SS**  92.7112.575.5-700000114
501M44.4Very low36.8Very low183 Ų183125.5 Ų125.590%0.90181%0.806SS**  trans-90.1178.5160.3-70.3-172.1176.500110.6
502P50Low36.7Very low129 Ų129127.6 Ų127.684%0.83880%0.802SS**  -139.3162.3118.638.4-27.9000116.2
503S40Very low36.8Very low122 Ų122129.3 Ų129.385%0.85380%0.798SS**  trans-65.4169.8169-42.50000112.7
504G32.1Very low36.2Very low66 Ų66130.5 Ų130.568%0.6881%0.805SS**  cis129.5133.3300000112.2
505F31.9Very low36.2Very low223 Ų223126.6 Ų126.698%0.97880%0.798SS**  trans-157160.3178-111.9-85.1000112.6
506G33.1Very low36.1Very low69 Ų69129.2 Ų129.271%0.71181%0.806SS**  trans-92.7-164.1178.300000114.8
507N37.5Very low36Very low164 Ų164130.4 Ų130.488%0.87780%0.798SS**  cis-164.616510.3-165.84.7000111.7
508A35Very low35.8Very low83 Ų83132.2 Ų132.269%0.68680%0.798SS**  trans50.9113.1162.200000120.7
509A32.6Very low35.6Very low102 Ų102130 Ų13084%0.84379%0.792SS**  98.315584.900000112.9
510A29.7Very low35.3Very low70 Ų70128.1 Ų128.158%0.57979%0.791SS**  cis-158.1163.77.500000113.6
511Y32.2Very low35Very low216 Ų216132.1 Ų132.185%0.84780%0.795SS**  trans63.8152.7162-55.1-62.8000118.9
512N29.4Very low34.5Very low150 Ų150131.7 Ų131.780%0.80279%0.791SS**  cis-147.2170.9-2.3-135.9-29.5000113.2
513L36.5Very low33.9Very low133 Ų133133.1 Ų133.170%0.69679%0.786SS**  trans-88.3170.9178.6-99.1167.4000112T515L513-T515 HydrophobicContact CD2-CG2 4.09Å
514P40.3Very low34Very low127 Ų127132.6 Ų132.683%0.82578%0.78SS**  cis-139.5167.140.941.2-21.8000119.3
515T37.4Very low34.1Very low119 Ų119139.3 Ų139.373%0.7379%0.791SS**  trans-117.8147.8175.849.10000112.2L513L513-T515 HydrophobicContact CD2-CG2 4.09Å
516S31.9Very low34.7Very low123 Ų123134.6 Ų134.686%0.8678%0.783SS**  trans-165.5149.8165.1-80.30000109.4
517F32.2Very low35Very low181 Ų181134.8 Ų134.879%0.79478%0.784SS**  cis-161.4142.6-15.1169.9-94.1000107.4
518S33Very low34.9Very low121 Ų121136.1 Ų136.185%0.84679%0.785SS**  trans-146.4114.3173.2-750000110
519G32Very low35.4Very low64 Ų64137.1 Ų137.166%0.6679%0.785SS**PPolyproline II helixtrans-91.6133.1-178.200000113.2
520T33.1Very low36.1Very low137 Ų137137.9 Ų137.984%0.8478%0.781SS**PPolyproline II helixtrans-103.4151.6169.645.90000111.3
521F30Very low36.3Very low192 Ų192144.3 Ų144.384%0.84280%0.796SS**PPolyproline II helixtrans-95.4128.3-172.1-154.8-90.9000111
522Q35.2Very low36.6Very low174 Ų174140.3 Ų140.381%0.81380%0.795SS**  trans-141.5143.9178.5-149.982.756.800110.7
523Q36.5Very low37.4Very low160 Ų160142 Ų14275%0.74880%0.798SS**PPolyproline II helixtrans-82.9143-175.6-70.8-76.3000112.8
524P42.3Very low37.9Very low111 Ų111141 Ų14172%0.72180%0.799SS**PPolyproline II helixtrans-94.4151.8176.436.1-33.6000114.3
525F34.2Very low38.2Very low206 Ų206141 Ų14190%0.90480%0.799SS**PPolyproline II helixtrans-102160.2160.9-94.8-98.5000110
526P45.8Very low38Very low125 Ų125139.8 Ų139.881%0.81280%0.801SS**PPolyproline II helixtrans-93.6143.5-16535.1-34.2000115.2
527G37.4Very low38.2Very low72 Ų72143.8 Ų143.874%0.74280%0.803SS**  trans169133.216400000115.5
528Q37.4Very low38.8Very low193 Ų193141 Ų14190%0.90280%0.803SS**  trans73.2158169.1-70.2-70.1-52.300118
529P44.4Very low38.9Very low104 Ų104144.1 Ų144.168%0.67581%0.805SS**  trans-101.3176.4-148.541.7-39.9000115.4
530P47.6Very low39.1Very low117 Ų117149.8 Ų149.876%0.7681%0.814SS**  trans-97.5165.4-155.738.1-36.7000116
531F34.4Very low39.8Very low205 Ų205148.8 Ų148.890%0.89981%0.809SS**  trans-125.3164.8157.6-91.7-84.6000111.3
532T36.8Very low40.1Very low133 Ų133147.7 Ų147.782%0.81681%0.812SS**  trans-91.2155.5-151.8440000116.1
533Q47.4Very low40Very low186 Ų186142.6 Ų142.687%0.86981%0.807SS**  trans-115.6131.7173.3-77.3-105.4-42.600110.9
534P46.5Very low39.7Very low110 Ų110139.3 Ų139.371%0.71482%0.816SS**PPolyproline II helixtrans-79.2159.8157.3-12.830.6000111.7
535P46.5Very low39.1Very low127 Ų127137.8 Ų137.883%0.82582%0.821SS**PPolyproline II helixtrans-91158.4-157.534.9-37.4000116.2
536A34.3Very low39.2Very low94 Ų94137.9 Ų137.978%0.77782%0.821SS**PPolyproline II helixtrans-90.2152.6167.800000112.3
537F34.3Very low39.2Very low208 Ų208137.7 Ų137.791%0.91282%0.82SS**PPolyproline II helixtrans-80.2134.7171.6-87-93.1000111.7
538P46.2Very low38.9Very low122 Ų122138.1 Ų138.179%0.79282%0.816SS**PPolyproline II helixtrans-88.8168.5-179.835.2-35.7000114.6
539Q34.8Very low38.6Very low187 Ų187139.3 Ų139.387%0.87482%0.819SS**PPolyproline II helixtrans-81.7153-175.6-175.9-178.294.900113.3
540Q36Very low38Very low183 Ų183138.2 Ų138.286%0.85583%0.827SS**PPolyproline II helixtrans-83.2128.8173.4-82.5-98.7-50.200112.6
541P47.7Very low37.3Very low115 Ų115141 Ų14175%0.74783%0.829SS**PPolyproline II helixtrans-103.8169.6164.938.2-31.3000112.7
542N36.9Very low37.1Very low169 Ų169136 Ų13690%0.90482%0.816SS**  trans-105.9141.8-175.2178.530.4000112.7
543G31.8Very low36.8Very low67 Ų67138.9 Ų138.969%0.69182%0.817SS**  trans120.5119148.500000119.3
544G30.9Very low36.9Very low91 Ų91135.1 Ų135.194%0.93881%0.809SS**  trans95.2121.7141.800000119.3
545G30.1Very low36.2Very low80 Ų80135.9 Ų135.983%0.82581%0.811SS**  trans154.9108.3163.200000115.8
546F35.3Very low35.5Very low207 Ų207136.4 Ų136.491%0.90881%0.812SS**  trans-91152.4162.7-85.9-83.6000109.5
547P46.7Very low35.9Very low121 Ų121137.6 Ų137.679%0.78681%0.81SS**  -154157.692.140.3-21.7000118.6
548A30.8Very low36.7Very low82 Ų82133.6 Ų133.668%0.67880%0.804SS**  trans57.6123.9136.600000124.4
549F31.5Very low36.3Very low218 Ų218138.2 Ų138.296%0.95681%0.812SS**  trans49.9121.4133.5-77.7-91.9000122.6
550G31.5Very low36.2Very low81 Ų81132.7 Ų132.784%0.83581%0.806SS**  trans-167.5136157.100000110.7
551Q33.2Very low36.2Very low174 Ų174131.7 Ų131.781%0.81380%0.801SS**  trans-133173.2-171-115-85.120.700112.1
552T30.1Very low36.1Very low102 Ų102132.1 Ų132.163%0.62680%0.804SS**  trans69.2106.1159.846.60000121.7
553K31.4Very low36.3Very low193 Ų193130.1 Ų130.184%0.83980%0.798SS**  65.8171.7116.7-79.2-178.6178-1800120.4
554P47.9Very low36.2Very low107 Ų107131.5 Ų131.570%0.69580%0.803SS**  cis-134.8157.4-16.124.3-1.4000117.6
555V31.9Very low36.3Very low126 Ų126131.6 Ų131.676%0.76480%0.795SS**  trans39.7128.6131-177.30000122.1
556V33.3Very low37.4Very low138 Ų138133.4 Ų133.484%0.83679%0.792SS**  -157.9147.9123136.20000111.1
557T41Very low37.2Very low119 Ų119132.8 Ų132.873%0.7379%0.794SS**  trans-142.9157.317948.30000110.5
558P52.9Low37.2Very low123 Ų123133.4 Ų133.480%0.79980%0.796SS**  trans-126.8121.9151.833.4-20.2000114.7
559F36.4Very low38.5Very low219 Ų219134.6 Ų134.696%0.96180%0.796SS**  trans10.7137.9150.4-83.3-98.3000123.3
560G32.3Very low38.6Very low72 Ų72131.9 Ų131.974%0.74279%0.792SS**  trans179.9119.5155.300000112.9
561Q37.1Very low39.4Very low161 Ų161134.2 Ų134.275%0.75279%0.785SS**  trans-149.7144.1-179.8-104.5-83.6-43.700108.7
562P45.5Very low40.4Very low125 Ų125129.9 Ų129.981%0.81277%0.772SS**  -147.9-167.995.239.7-21.8000115.2
563V40.1Very low40.7Very low126 Ų126133.4 Ų133.476%0.76478%0.779SS**  trans-114.8140.2-169.4173.50000112.4
564A30.5Very low41.4Very low97 Ų97131.2 Ų131.280%0.80278%0.776SS**  trans177.2165.114400000112.7
565A32.4Very low40.8Very low93 Ų93130 Ų13077%0.76978%0.782SS**  trans-137.8-165.7170.700000108.2
566P54.2Low40.9Very low118 Ų118127.8 Ų127.877%0.76679%0.785SS**  cis-126.9170.4-24.739.9-26.3000113
567M31.4Very low41.2Very low193 Ų193125.7 Ų125.795%0.95178%0.782SS**  trans-163.2149.8153.6-118.4175.5-171.700115.3
568V45.9Very low41.7Very low135 Ų135126 Ų12682%0.81879%0.786SS**  trans-154.1136.6-175175.50000104.4
569P58.7Low41.5Very low106 Ų106126 Ų12669%0.68879%0.786SS**  -157.9162.169.242.9-22.1000119.9
570N32.9Very low41.4Very low161 Ų161119.8 Ų119.886%0.86178%0.775SS**  -168.7153.5110.1-110.1-24.1000114.1
571N47.4Very low41.6Very low131 Ų131125.5 Ų125.570%0.70178%0.783SS**  trans-140.4-167.7177.7-143.716.3000106.7
572P54.4Low41.7Very low83 Ų83128.5 Ų128.554%0.53979%0.789SS.*  cis-96.9-170.8-5.113.911.5000111.5
573F37.5Very low42Very low175 Ų175128.7 Ų128.777%0.76879%0.79SS**  cis-13015115.4-73.4-95.9000109.4
574L45.4Very low42Very low148 Ų148127.7 Ų127.778%0.77580%0.795SS**  67.7116.352.2-65.7173000113.7
575G34.7Very low42.2Very low80 Ų80127 Ų12783%0.82580%0.797SS**  cis-160.7-166-4.200000109.1
576G34.6Very low42.2Very low81 Ų81126.1 Ų126.184%0.83580%0.797SS**  cis173.5144.7-0.700000108.3
577A39.1Very low41.5Very low94 Ų94126.6 Ų126.678%0.77780%0.804SS**  trans-85.2171.7-170.500000113.9
578P53Low42.2Very low124 Ų124122.6 Ų122.681%0.80580%0.795SS**  -147.5168.682.940.8-24.7000116.6
579P47.2Very low42.5Very low124 Ų124122.6 Ų122.681%0.80580%0.795SS**  trans-98.4158.7168.537.8-33000113.9
580A35.9Very low42Very low88 Ų88124.7 Ų124.773%0.72780%0.8SS**  trans-135.8116.9171.200000108.9
581Q36Very low43.3Very low192 Ų192122.5 Ų122.590%0.89780%0.795SS**  81.1129.489.6-77.7-171.3-25.800115.4
582Y39.8Very low43.3Very low224 Ų224125.6 Ų125.688%0.87880%0.802SS**  trans-72.6163.2171.2-77.5-95.2000111.7
583P51.8Low42.5Very low130 Ų130133.8 Ų133.884%0.84484%0.84SS**  -128.9176.5112.838.3-33.4000113.4
584A39.3Very low42.8Very low104 Ų104131.7 Ų131.786%0.8684%0.844SS**  trans-135.4158.9179.300000111.7
585G33.9Very low42.6Very low82 Ų82130.8 Ų130.885%0.84585%0.848SS**  trans128.2152.8164.400000116.2
586G34.1Very low43.1Very low75 Ų75133.7 Ų133.777%0.77385%0.849SS**  trans92.881.2177.900000113.2
587S38.5Very low43.6Very low129 Ų129136.8 Ų136.890%0.90285%0.85SS**  77.8133.963.7-161.20000114
588S47.1Very low43.9Very low109 Ų109139.4 Ų139.476%0.76285%0.854SS**  trans-99.9153.8-176.350.90000113.1
589T50.4Low43.3Very low135 Ų135140.5 Ų140.583%0.82886%0.858SS**  trans-148.8132.5164.5-50.20000110
590N49.1Very low43Very low149 Ų149141.6 Ų141.680%0.79786%0.861SS**  trans-94.6143.3168.3-75.7-41.8000109.9F592N590-F592 PolarHBondContact O-N 3.34Å
591P59.8Low43.5Very low116 Ų116145.8 Ų145.875%0.75387%0.872SS**  trans-98.875175.837-32.6000112.4
592F46.8Very low44.2Very low195 Ų195141.9 Ų141.986%0.85587%0.869SS**  trans-150.4130.7161.9-83.1-70.3000109.2N590N590-F592 PolarHBondContact O-N 3.34Å
593L39.2Very low44.6Very low255 Ų255134.5 Ų134.5100%1.33587%0.869SS**  trans740-159.7-58.7164.1000113

Retrieved 593 of 593 residues in 379 ms (Link to these results)

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