A0A087Y5H3_POEFO Loading...

Junctophilin

Junctophilins contribute to the formation of junctional membrane complexes (JMCs) which link the plasma membrane with the endoplasmic or sarcoplasmic reticulum in excitable cells. Provides a structural foundation for functional cross-talk between the cell surface and intracellular calcium release channels.

AlphaFold DB , UniProt , Accession A0A087Y5H3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 693 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
1M50.5Low85.8Confident222 Ų22296.4 Ų96.4100%1.09453%0.526SS*.  0131.40-70.1172.1173.300108.2G3M1-G3 PolarHBondContact O-N 3.01Å
2T77Confident86.4Confident103 Ų10388.4 Ų88.463%0.63248%0.483SS*.EExtended strand (participates in β ladder)trans-78.195.2168.827.80000108.9W18T2-W18 WeakPolarHBondContact O-CA 3.37Å; T2-W18 WeakPolarHBondContact O-CB 3.41Å; T2-W18 PolarHBondContact O-N 3.48Å; T2-W18 PolarHBondContact OG1-O 3.16Å
3G83.9Confident87Confident34 Ų3482.8 Ų82.835%0.35145%0.453SS..EExtended strand (participates in β ladder)trans-96.3151173.400000111.7M1 G16M1-G3 PolarHBondContact O-N 3.01Å; G3-G16 CarbonylContact C-O 3.59Å; G3-G16 WeakPolarHBondContact CA-O 3.36Å
4G91.1Very high87.6Confident22 Ų2277.1 Ų77.123%0.22742%0.422CS..EExtended strand (participates in β ladder)trans-174.6166.2176.300000114.6G16 W18G4-G16 PolarHBondContact N-O 2.85Å; G4-G16 PolarHBondContact O-N 2.9Å; G4-W18 PolarHBondContact O-NE1 3.13Å
5R93.4Very high88.1Confident114 Ų11472 Ų7243%0.4339%0.394SS..EExtended strand (participates in β ladder)trans-96134.8171.4-179.2177.8169.9-77.2-5.3109.8D7 T13 Y14 C15 S416R5-D7 IonicContact CZ-OD1 2.66Å; R5-D7 IonicContact CZ-OD2 2.74Å; R5-D7 IonicContact NE-OD1 3.83Å; R5-D7 IonicContact NH1-OD1 2.68Å; R5-D7 IonicContact NH1-OD2 3.59Å; R5-D7 PolarHBondContact NH1-OD2 3.15Å; R5-D7 IonicContact NH2-OD1 3.09Å; R5-D7 PolarHBondContact NH2-OD1 3.03Å; R5-D7 IonicContact NH2-OD2 3.14Å; R5-D7 PolarHBondContact NH2-OD2 3.26Å; R5-T13 HydrophobicContact CG-CG2 3.7Å; R5-Y14 CarbonylContact C-O 3.57Å; R5-Y14 VanDerWaalsContact CA-O 3.29Å; R5-Y14 WeakPolarHBondContact CA-O 3.42Å; R5-C15 HydrophobicContact CB-CB 4.5Å; R5-S416 WeakPolarHBondContact CD-OG 3.42Å
6F92.8Very high88.6Confident104 Ų10467.5 Ų67.546%0.45637%0.369SS..EExtended strand (participates in β ladder)trans-131.9133176.6-176.1-87.7000109.2F8 T13 Y14 W18F6-F8 AromaticContact CD1-CD1 3.86Å; F6-F8 HydrophobicContact CD1-CD1 3.86Å; F6-F8 AromaticContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CG 4.39Å; F6-F8 HydrophobicContact CD1-CZ 4.15Å; F6-F8 AromaticContact CE1-CD1 3.59Å; F6-F8 HydrophobicContact CE1-CD1 3.59Å; F6-F8 AromaticContact CE1-CE1 3.72Å; F6-F8 HydrophobicContact CE1-CE1 3.72Å; F6-F8 HydrophobicContact CE1-CG 4.35Å; F6-T13 CarbonylContact O-C 3.57Å; F6-T13 WeakPolarHBondContact O-CA 3.13Å; F6-Y14 PolarHBondContact N-O 3.11Å; F6-Y14 PolarHBondContact O-N 2.81Å; F6-W18 HydrophobicContact CB-CH2 4.09Å; F6-W18 HydrophobicContact CB-CZ2 3.56Å; F6-W18 HydrophobicContact CG-CH2 4.18Å; F6-W18 HydrophobicContact CG-CZ2 4.15Å
7D93.1Very high89Confident77 Ų7764 Ų6441%0.41235%0.352SS..EExtended strand (participates in β ladder)trans-102.8135.9176.4-71.2-36.5000110.2R5 T13R5-D7 IonicContact CZ-OD1 2.66Å; R5-D7 IonicContact CZ-OD2 2.74Å; R5-D7 IonicContact NE-OD1 3.83Å; R5-D7 IonicContact NH1-OD1 2.68Å; R5-D7 IonicContact NH1-OD2 3.59Å; R5-D7 PolarHBondContact NH1-OD2 3.15Å; R5-D7 IonicContact NH2-OD1 3.09Å; R5-D7 PolarHBondContact NH2-OD1 3.03Å; R5-D7 IonicContact NH2-OD2 3.14Å; R5-D7 PolarHBondContact NH2-OD2 3.26Å; D7-T13 WeakPolarHBondContact OD1-CB 3.49Å; D7-T13 VanDerWaalsContact OD1-CG2 3.31Å; D7-T13 WeakPolarHBondContact OD1-CG2 3.46Å; D7-T13 PolarHBondContact OD1-OG1 2.97Å
8F91.6Very high89.2Confident77 Ų7764.1 Ų64.134%0.33835%0.347SS..  trans-93.3148.7176.7-58.8-73.6000110.6F6 D10 G11 G12F6-F8 AromaticContact CD1-CD1 3.86Å; F6-F8 HydrophobicContact CD1-CD1 3.86Å; F6-F8 AromaticContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CE1 3.72Å; F6-F8 HydrophobicContact CD1-CG 4.39Å; F6-F8 HydrophobicContact CD1-CZ 4.15Å; F6-F8 AromaticContact CE1-CD1 3.59Å; F6-F8 HydrophobicContact CE1-CD1 3.59Å; F6-F8 AromaticContact CE1-CE1 3.72Å; F6-F8 HydrophobicContact CE1-CE1 3.72Å; F6-F8 HydrophobicContact CE1-CG 4.35Å; F8-D10 WeakPolarHBondContact CB-OD1 3.4Å; F8-D10 PolarHBondContact O-N 2.8Å; F8-G11 PolarHBondContact O-N 2.86Å; F8-G12 PolarHBondContact N-O 2.92Å
9D91.9Very high89.5Confident185 Ų18565.2 Ų65.299%0.98935%0.349SS*.THydrogen-bonded Turntrans-59.8-18.2-179.6-62.9-46.8000114G11D9-G11 VanDerWaalsContact C-N 3.33Å
10D90.5Very high89.6Confident80 Ų8069.1 Ų69.143%0.42837%0.37SS..THydrogen-bonded Turntrans-85.5-1.8176.471.34.1000114.1F8 G12 P32 K33F8-D10 WeakPolarHBondContact CB-OD1 3.4Å; F8-D10 PolarHBondContact O-N 2.8Å; D10-G12 PolarHBondContact OD1-N 2.85Å; D10-P32 HydrophobicContact CB-CB 4.11Å; D10-P32 WeakPolarHBondContact OD2-CG 3.39Å; D10-K33 PolarHBondContact O-N 2.86Å
11G88.4Confident89.6Confident42 Ų4269 Ų6943%0.43339%0.385SS..SBendtrans8315-177.700000115F8 D9 K33 G34F8-G11 PolarHBondContact O-N 2.86Å; D9-G11 VanDerWaalsContact C-N 3.33Å; G11-K33 CarbonylContact O-C 3.53Å; G11-K33 WeakPolarHBondContact O-CA 3.45Å; G11-K33 PolarHBondContact O-N 2.97Å; G11-G34 PolarHBondContact O-N 2.66Å
12G92.5Very high91.7Very high1 Ų163 Ų631%0.0135%0.353CS..  trans-79.2165.9159.400000112.2F8 D10 T30 G31F8-G12 PolarHBondContact N-O 2.92Å; D10-G12 PolarHBondContact OD1-N 2.85Å; G12-T30 WeakPolarHBondContact CA-O 3.36Å; G12-G31 WeakPolarHBondContact CA-O 3.48Å
13T94.3Very high92.5Very high15 Ų1558.6 Ų58.69%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-139.9133.2177.1-60.20000110.2R5 F6 D7 C29 T30 F419R5-T13 HydrophobicContact CG-CG2 3.7Å; F6-T13 CarbonylContact O-C 3.57Å; F6-T13 WeakPolarHBondContact O-CA 3.13Å; D7-T13 WeakPolarHBondContact OD1-CB 3.49Å; D7-T13 VanDerWaalsContact OD1-CG2 3.31Å; D7-T13 WeakPolarHBondContact OD1-CG2 3.46Å; D7-T13 PolarHBondContact OD1-OG1 2.97Å; T13-C29 WeakPolarHBondContact O-CA 3.46Å; T13-T30 PolarHBondContact N-OG1 3.44Å; T13-T30 PolarHBondContact O-N 3.16Å; T13-T30 PolarHBondContact O-OG1 3.38Å; T13-F419 HydrophobicContact CG2-CD2 3.94Å; T13-F419 HydrophobicContact CG2-CE2 3.44Å; T13-F419 VanDerWaalsContact CG2-CE2 3.44Å; T13-F419 HydrophobicContact CG2-CZ 4.02Å
14Y95.3Very high93.1Very high4 Ų459.7 Ų59.72%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-96.6140.2161.7-176.5-96.2000110.8R5 F6 G17 W18 A23 I28 C29 W42R5-Y14 CarbonylContact C-O 3.57Å; R5-Y14 VanDerWaalsContact CA-O 3.29Å; R5-Y14 WeakPolarHBondContact CA-O 3.42Å; F6-Y14 PolarHBondContact N-O 3.11Å; F6-Y14 PolarHBondContact O-N 2.81Å; Y14-G17 PolarHBondContact OH-O 3.17Å; Y14-W18 AromaticContact CD1-CE2 3.65Å; Y14-W18 HydrophobicContact CD1-CH2 4.3Å; Y14-W18 AromaticContact CD1-CZ2 3.4Å; Y14-W18 HydrophobicContact CD1-CZ2 3.4Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.4Å; Y14-W18 AromaticContact CD1-NE1 3.71Å; Y14-W18 AromaticContact CE1-CE2 3.82Å; Y14-W18 HydrophobicContact CE1-CZ2 4Å; Y14-W18 AromaticContact CE1-NE1 3.69Å; Y14-W18 HydrophobicContact CG-CZ2 4.17Å; Y14-A23 HydrophobicContact CD2-CB 4.32Å; Y14-A23 HydrophobicContact CE1-CB 4.14Å; Y14-A23 HydrophobicContact CE2-CB 3.64Å; Y14-I28 CarbonylContact C-O 3.52Å; Y14-I28 WeakPolarHBondContact CA-O 3.35Å; Y14-I28 WeakPolarHBondContact CD2-O 3.4Å; Y14-C29 HydrophobicContact CD2-CB 4.08Å; Y14-W42 HydrophobicContact CD2-CZ2 4.28Å; Y14-W42 AromaticContact CE2-CD2 3.99Å; Y14-W42 HydrophobicContact CE2-CD2 3.99Å; Y14-W42 AromaticContact CE2-CE2 3.64Å; Y14-W42 HydrophobicContact CE2-CG 4.35Å; Y14-W42 AromaticContact CE2-CZ2 3.93Å; Y14-W42 HydrophobicContact CE2-CZ2 3.93Å; Y14-W42 AromaticContact CE2-NE1 3.78Å
15C95.8Very high93.3Very high0 Ų059.3 Ų59.30%032%0.319CS..EExtended strand (participates in β ladder)trans-141.1112168.8-168.40000109.8R5 G27 I28 A412 F419R5-C15 HydrophobicContact CB-CB 4.5Å; C15-G27 CarbonylContact O-C 3.3Å; C15-G27 VanDerWaalsContact O-CA 3.26Å; C15-G27 WeakPolarHBondContact O-CA 3.47Å; C15-I28 PolarHBondContact N-O 3.06Å; C15-I28 PolarHBondContact O-N 2.96Å; C15-A412 HydrophobicContact CB-CB 4.15Å; C15-F419 HydrophobicContact CB-CD1 3.76Å; C15-F419 HydrophobicContact CB-CE1 3.81Å; C15-F419 HydrophobicContact CB-CG 4.35Å; C15-F419 HydrophobicContact CB-CZ 4.44Å
16G96Very high93.5Very high0 Ų056.6 Ų56.60%031%0.311CS..EExtended strand (participates in β ladder)trans171.6-163.1-172.100000113.7G3 G4 H26 L415G3-G16 CarbonylContact C-O 3.59Å; G3-G16 WeakPolarHBondContact CA-O 3.36Å; G4-G16 PolarHBondContact N-O 2.85Å; G4-G16 PolarHBondContact O-N 2.9Å; G16-H26 VanDerWaalsContact CA-O 3.29Å; G16-H26 WeakPolarHBondContact CA-O 3.47Å; G16-L415 WeakPolarHBondContact O-CD1 3.31Å
17G94.3Very high93.6Very high8 Ų851.6 Ų51.68%0.08229%0.289CS..EExtended strand (participates in β ladder)trans-78.6151.5177.900000114.4Y14 H24 H26Y14-G17 PolarHBondContact OH-O 3.17Å; G17-H24 CarbonylContact C-O 3.16Å; G17-H24 WeakPolarHBondContact CA-O 3.23Å; G17-H24 PolarHBondContact O-N 3.19Å; G17-H24 VanDerWaalsContact O-O 3.05Å; G17-H26 PolarHBondContact N-O 3.15Å
18W94.1Very high93.8Very high66 Ų6648 Ų4825%0.2527%0.269CS..EExtended strand (participates in β ladder)trans-130.3138.2177.3-63.482.8000111.8T2 G4 F6 Y14 K22T2-W18 WeakPolarHBondContact O-CA 3.37Å; T2-W18 WeakPolarHBondContact O-CB 3.41Å; T2-W18 PolarHBondContact O-N 3.48Å; T2-W18 PolarHBondContact OG1-O 3.16Å; G4-W18 PolarHBondContact O-NE1 3.13Å; F6-W18 HydrophobicContact CB-CH2 4.09Å; F6-W18 HydrophobicContact CB-CZ2 3.56Å; F6-W18 HydrophobicContact CG-CH2 4.18Å; F6-W18 HydrophobicContact CG-CZ2 4.15Å; Y14-W18 AromaticContact CD1-CE2 3.65Å; Y14-W18 HydrophobicContact CD1-CH2 4.3Å; Y14-W18 AromaticContact CD1-CZ2 3.4Å; Y14-W18 HydrophobicContact CD1-CZ2 3.4Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.4Å; Y14-W18 AromaticContact CD1-NE1 3.71Å; Y14-W18 AromaticContact CE1-CE2 3.82Å; Y14-W18 HydrophobicContact CE1-CZ2 4Å; Y14-W18 AromaticContact CE1-NE1 3.69Å; Y14-W18 HydrophobicContact CG-CZ2 4.17Å; W18-K22 VanDerWaalsContact CA-O 3.3Å; W18-K22 WeakPolarHBondContact CA-O 3.34Å; W18-K22 VanDerWaalsContact CE3-C 3.5Å
19E94.8Very high94Very high85 Ų8545.6 Ų45.640%0.39726%0.262SS..EExtended strand (participates in β ladder)trans-141.6135.2173.8-174.5-178.4-106.900108.2G21 K22 H24E19-G21 PolarHBondContact O-N 3.23Å; E19-K22 PolarHBondContact N-O 2.93Å; E19-K22 PolarHBondContact O-N 2.91Å; E19-K22 VanDerWaalsContact O-O 3.08Å; E19-H24 HydrophobicContact CB-CB 3.62Å; E19-H24 IonicContact OE1-CE1 2.87Å; E19-H24 IonicContact OE1-ND1 2.72Å; E19-H24 IonicContact OE2-CE1 2.77Å; E19-H24 PolarHBondContact OE2-CE1 2.87Å; E19-H24 IonicContact OE2-CG 3.89Å; E19-H24 IonicContact OE2-ND1 3.82Å; E19-H24 PolarHBondContact OE2-ND1 3.4Å
20D91.6Very high94.1Very high142 Ų14237.2 Ų37.276%0.75922%0.218SC*.THydrogen-bonded Turntrans45.938.1-178.1-66.5-8000115.2K22D20-K22 VanDerWaalsContact C-N 3.29Å; D20-K22 PolarHBondContact O-N 3.1Å
21G89.7Confident94.1Very high67 Ų6734.1 Ų34.169%0.69120%0.204SC*.THydrogen-bonded Turntrans72.514.9-178.800000115E19E19-G21 PolarHBondContact O-N 3.23Å
22K93.3Very high94.2Very high98 Ų9835.6 Ų35.643%0.42621%0.207SC..EExtended strand (participates in β ladder)trans-126.5155.6-177.3-57.6167.8-165.6163.70110.9W18 E19 D20 H24W18-K22 VanDerWaalsContact CA-O 3.3Å; W18-K22 WeakPolarHBondContact CA-O 3.34Å; W18-K22 VanDerWaalsContact CE3-C 3.5Å; E19-K22 PolarHBondContact N-O 2.93Å; E19-K22 PolarHBondContact O-N 2.91Å; E19-K22 VanDerWaalsContact O-O 3.08Å; D20-K22 VanDerWaalsContact C-N 3.29Å; D20-K22 PolarHBondContact O-N 3.1Å; K22-H24 PolarHBondContact O-N 3.48Å
23A94.3Very high94Very high9 Ų943.7 Ų43.77%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-61.8127.3173.200000111.4Y14 W42 G45Y14-A23 HydrophobicContact CD2-CB 4.32Å; Y14-A23 HydrophobicContact CE1-CB 4.14Å; Y14-A23 HydrophobicContact CE2-CB 3.64Å; A23-W42 HydrophobicContact CB-CB 4.3Å; A23-W42 HydrophobicContact CB-CD2 4Å; A23-W42 HydrophobicContact CB-CE3 3.75Å; A23-W42 HydrophobicContact CB-CG 4.24Å; A23-W42 HydrophobicContact CB-CZ3 4.42Å; A23-G45 PolarHBondContact O-N 2.82Å
24H95.6Very high93.3Very high58 Ų5844 Ų4427%0.26925%0.247SC..EExtended strand (participates in β ladder)trans-146.3147.6179.6-170.8118.4000110.7G17 E19 K22G17-H24 CarbonylContact C-O 3.16Å; G17-H24 WeakPolarHBondContact CA-O 3.23Å; G17-H24 PolarHBondContact O-N 3.19Å; G17-H24 VanDerWaalsContact O-O 3.05Å; E19-H24 HydrophobicContact CB-CB 3.62Å; E19-H24 IonicContact OE1-CE1 2.87Å; E19-H24 IonicContact OE1-ND1 2.72Å; E19-H24 IonicContact OE2-CE1 2.77Å; E19-H24 PolarHBondContact OE2-CE1 2.87Å; E19-H24 IonicContact OE2-CG 3.89Å; E19-H24 IonicContact OE2-ND1 3.82Å; E19-H24 PolarHBondContact OE2-ND1 3.4Å; K22-H24 PolarHBondContact O-N 3.48Å
25G95.9Very high93Very high14 Ų1448.6 Ų48.614%0.14427%0.269CS..EExtended strand (participates in β ladder)trans87.4-126173.700000109.1S41 W42G25-S41 CarbonylContact O-C 3.59Å; G25-S41 WeakPolarHBondContact O-CA 3.37Å; G25-W42 PolarHBondContact N-O 2.86Å; G25-W42 PolarHBondContact O-N 3.29Å
26H97.3Very high92.8Very high56 Ų5648.6 Ų48.626%0.25927%0.269SS..EExtended strand (participates in β ladder)trans-112.5139.5179.9-5193.6000110.5G16 G17 E404 I407 A408 V411G16-H26 VanDerWaalsContact CA-O 3.29Å; G16-H26 WeakPolarHBondContact CA-O 3.47Å; G17-H26 PolarHBondContact N-O 3.15Å; H26-E404 IonicContact CD2-OE2 3.64Å; H26-E404 IonicContact NE2-OE2 2.69Å; H26-E404 PolarHBondContact NE2-OE2 2.81Å; H26-I407 HydrophobicContact CB-CG2 4.07Å; H26-A408 HydrophobicContact CB-CB 4.13Å; H26-V411 HydrophobicContact CB-CG2 4.32Å
27G96.3Very high92.8Very high0 Ų048.6 Ų48.60%027%0.269CS..EExtended strand (participates in β ladder)trans-172.9159.5-179.600000114.9C15 G40 W42C15-G27 CarbonylContact O-C 3.3Å; C15-G27 VanDerWaalsContact O-CA 3.26Å; C15-G27 WeakPolarHBondContact O-CA 3.47Å; G27-G40 PolarHBondContact N-O 2.83Å; G27-G40 PolarHBondContact O-N 3.09Å; G27-W42 PolarHBondContact O-NE1 3.11Å
28I96.7Very high93Very high0 Ų048.4 Ų48.40%027%0.266CS..EExtended strand (participates in β ladder)trans-102.1139.5173.1-58.7-179.6000108.8Y14 C15 E37 Y38 A39 R409 A412 F419 Q421Y14-I28 CarbonylContact C-O 3.52Å; Y14-I28 WeakPolarHBondContact CA-O 3.35Å; Y14-I28 WeakPolarHBondContact CD2-O 3.4Å; C15-I28 PolarHBondContact N-O 3.06Å; C15-I28 PolarHBondContact O-N 2.96Å; I28-E37 HydrophobicContact CG2-CG 3.63Å; I28-Y38 CarbonylContact C-O 3.46Å; I28-Y38 VanDerWaalsContact CA-O 3.25Å; I28-Y38 WeakPolarHBondContact CA-O 3.32Å; I28-Y38 WeakPolarHBondContact CG2-O 3.14Å; I28-A39 HydrophobicContact CG1-CB 4.03Å; I28-R409 HydrophobicContact CD1-CB 4.5Å; I28-R409 HydrophobicContact CD1-CG 3.85Å; I28-A412 HydrophobicContact CB-CB 4.49Å; I28-A412 HydrophobicContact CD1-CB 3.64Å; I28-A412 HydrophobicContact CG1-CB 3.93Å; I28-F419 HydrophobicContact CB-CE1 4.03Å; I28-F419 HydrophobicContact CD1-CE1 4.24Å; I28-F419 HydrophobicContact CG2-CE1 3.89Å; I28-F419 HydrophobicContact CG2-CZ 4.18Å; I28-Q421 HydrophobicContact CD1-CG 3.69Å
29C95.4Very high93.1Very high27 Ų2745.3 Ų45.318%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-126.9126166.2-168.90000109.5T13 Y14 E37 Y38 W42T13-C29 WeakPolarHBondContact O-CA 3.46Å; Y14-C29 HydrophobicContact CD2-CB 4.08Å; C29-E37 WeakPolarHBondContact O-CA 3.39Å; C29-Y38 PolarHBondContact N-O 3.33Å; C29-Y38 PolarHBondContact O-N 3.06Å; C29-W42 HydrophobicContact CB-CH2 3.74Å; C29-W42 HydrophobicContact CB-CZ2 3.53Å
30T95.1Very high93.3Very high10 Ų1041.2 Ų41.26%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-94142.8169.155.30000110.7G12 T13 G36 E37 F419 P422G12-T30 WeakPolarHBondContact CA-O 3.36Å; T13-T30 PolarHBondContact N-OG1 3.44Å; T13-T30 PolarHBondContact O-N 3.16Å; T13-T30 PolarHBondContact O-OG1 3.38Å; T30-G36 VanDerWaalsContact CA-O 3.31Å; T30-G36 WeakPolarHBondContact CA-O 3.36Å; T30-E37 HydrophobicContact CG2-CB 4.5Å; T30-E37 HydrophobicContact CG2-CG 4.26Å; T30-F419 HydrophobicContact CG2-CZ 4.19Å; T30-P422 HydrophobicContact CG2-CG 3.8Å
31G90.3Very high93.6Very high14 Ų1435.3 Ų35.314%0.14421%0.205CC..  trans-69.3175.2176.800000113.1G12 K33 G34 Q35 G36G12-G31 WeakPolarHBondContact CA-O 3.48Å; G31-K33 PolarHBondContact O-N 2.78Å; G31-G34 CarbonylContact O-C 3.57Å; G31-G34 VanDerWaalsContact O-CA 3.24Å; G31-G34 WeakPolarHBondContact O-CA 3.36Å; G31-G34 PolarHBondContact O-N 2.79Å; G31-Q35 WeakPolarHBondContact CA-O 3.37Å; G31-Q35 PolarHBondContact O-N 3.18Å; G31-Q35 VanDerWaalsContact O-N 3.15Å; G31-G36 PolarHBondContact N-O 3.26Å
32P89.8Confident93.9Very high74 Ų7433.1 Ų33.148%0.48118%0.175SC..G310 helixtrans-49.1136.4-179-23.127.4000112.2D10 G34 Q35D10-P32 HydrophobicContact CB-CB 4.11Å; D10-P32 WeakPolarHBondContact OD2-CG 3.39Å; P32-G34 PolarHBondContact O-N 3.44Å; P32-Q35 VanDerWaalsContact O-CB 3.26Å; P32-Q35 WeakPolarHBondContact O-CB 3.41Å; P32-Q35 WeakPolarHBondContact O-CG 3.38Å; P32-Q35 PolarHBondContact O-N 2.68Å
33K87.6Confident94Very high171 Ų17130.2 Ų30.274%0.74317%0.168SC*.G310 helixtrans5435.9-174.3-49.7175.1-176.8177.50113.4D10 G11 G31 Q35D10-K33 PolarHBondContact O-N 2.86Å; G11-K33 CarbonylContact O-C 3.53Å; G11-K33 WeakPolarHBondContact O-CA 3.45Å; G11-K33 PolarHBondContact O-N 2.97Å; G31-K33 PolarHBondContact O-N 2.78Å; K33-Q35 HydrophobicContact CB-CG 4.36Å; K33-Q35 PolarHBondContact O-N 2.72Å; K33-Q35 PolarHBondContact O-NE2 2.76Å
34G81.3Confident94Very high20 Ų2035 Ų3521%0.20619%0.188CC..G310 helixtrans61.918.6-174.500000115.1G11 G31 P32 G36 Y426G11-G34 PolarHBondContact O-N 2.66Å; G31-G34 CarbonylContact O-C 3.57Å; G31-G34 VanDerWaalsContact O-CA 3.24Å; G31-G34 WeakPolarHBondContact O-CA 3.36Å; G31-G34 PolarHBondContact O-N 2.79Å; P32-G34 PolarHBondContact O-N 3.44Å; G34-G36 PolarHBondContact O-N 3.2Å; G34-Y426 PolarHBondContact O-OH 3.4Å
35Q88Confident93.9Very high102 Ų10233.7 Ų33.748%0.47719%0.191SC..  trans-85.2103.3-171.9-65.2-56.6-59.100112.8G31 P32 K33 P55G31-Q35 WeakPolarHBondContact CA-O 3.37Å; G31-Q35 PolarHBondContact O-N 3.18Å; G31-Q35 VanDerWaalsContact O-N 3.15Å; P32-Q35 VanDerWaalsContact O-CB 3.26Å; P32-Q35 WeakPolarHBondContact O-CB 3.41Å; P32-Q35 WeakPolarHBondContact O-CG 3.38Å; P32-Q35 PolarHBondContact O-N 2.68Å; K33-Q35 HydrophobicContact CB-CG 4.36Å; K33-Q35 PolarHBondContact O-N 2.72Å; K33-Q35 PolarHBondContact O-NE2 2.76Å; Q35-P55 HydrophobicContact CB-CG 4.17Å
36G92.7Very high93.8Very high0 Ų038.3 Ų38.30%021%0.207CC..SBendtrans83.9161.6-177.100000111.7T30 G31 G34 T53 Y426T30-G36 VanDerWaalsContact CA-O 3.31Å; T30-G36 WeakPolarHBondContact CA-O 3.36Å; G31-G36 PolarHBondContact N-O 3.26Å; G34-G36 PolarHBondContact O-N 3.2Å; G36-T53 VanDerWaalsContact CA-O 3.26Å; G36-T53 WeakPolarHBondContact CA-O 3.5Å; G36-Y426 PolarHBondContact N-OH 2.91Å
37E95.9Very high93.8Very high0 Ų037.3 Ų37.30%020%0.203CC..EExtended strand (participates in β ladder)trans-145.9126-169.3-171.5-1658100110.5I28 C29 T30 Y52 T53 R409 Q421 P422 G423I28-E37 HydrophobicContact CG2-CG 3.63Å; C29-E37 WeakPolarHBondContact O-CA 3.39Å; T30-E37 HydrophobicContact CG2-CB 4.5Å; T30-E37 HydrophobicContact CG2-CG 4.26Å; E37-Y52 CarbonylContact O-C 3.55Å; E37-Y52 VanDerWaalsContact O-CA 3.32Å; E37-Y52 WeakPolarHBondContact O-CA 3.19Å; E37-T53 PolarHBondContact N-O 3.14Å; E37-T53 PolarHBondContact O-N 2.88Å; E37-R409 IonicContact OE1-CZ 3.46Å; E37-R409 IonicContact OE1-NH1 3.65Å; E37-R409 PolarHBondContact OE1-NH1 3.35Å; E37-R409 IonicContact OE1-NH2 3.64Å; E37-R409 PolarHBondContact OE1-NH2 3.4Å; E37-R409 IonicContact OE2-NH1 3.8Å; E37-Q421 WeakPolarHBondContact OE2-CA 3.29Å; E37-Q421 WeakPolarHBondContact OE2-CB 3.34Å; E37-P422 HydrophobicContact CB-CG 4.34Å; E37-P422 VanDerWaalsContact OE2-CD 3.23Å; E37-P422 WeakPolarHBondContact OE2-CD 3.3Å; E37-P422 VanDerWaalsContact OE2-N 3.12Å; E37-G423 VanDerWaalsContact CD-N 3.32Å; E37-G423 WeakPolarHBondContact OE1-CA 3.26Å; E37-G423 PolarHBondContact OE2-N 3.46Å
38Y97.1Very high93.8Very high4 Ų440.9 Ų40.92%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-94.6135.5160.4-179.7-86.2000109.5I28 C29 S41 W42 E47 V49 V51 Y52 W64I28-Y38 CarbonylContact C-O 3.46Å; I28-Y38 VanDerWaalsContact CA-O 3.25Å; I28-Y38 WeakPolarHBondContact CA-O 3.32Å; I28-Y38 WeakPolarHBondContact CG2-O 3.14Å; C29-Y38 PolarHBondContact N-O 3.33Å; C29-Y38 PolarHBondContact O-N 3.06Å; Y38-S41 PolarHBondContact OH-O 3.38Å; Y38-W42 AromaticContact CD1-CE2 3.71Å; Y38-W42 HydrophobicContact CD1-CH2 4.34Å; Y38-W42 AromaticContact CD1-CZ2 3.4Å; Y38-W42 HydrophobicContact CD1-CZ2 3.4Å; Y38-W42 AromaticContact CD1-NE1 3.76Å; Y38-W42 AromaticContact CE1-CE2 3.66Å; Y38-W42 AromaticContact CE1-CZ2 3.8Å; Y38-W42 HydrophobicContact CE1-CZ2 3.8Å; Y38-W42 AromaticContact CE1-NE1 3.52Å; Y38-W42 HydrophobicContact CG-CZ2 4.19Å; Y38-E47 HydrophobicContact CD1-CG 4.47Å; Y38-E47 HydrophobicContact CD2-CB 4.4Å; Y38-E47 HydrophobicContact CD2-CG 4Å; Y38-E47 HydrophobicContact CE1-CB 4.38Å; Y38-E47 HydrophobicContact CE1-CG 4.26Å; Y38-E47 HydrophobicContact CE2-CB 3.67Å; Y38-E47 HydrophobicContact CE2-CG 3.76Å; Y38-E47 HydrophobicContact CG-CG 4.33Å; Y38-V49 VanDerWaalsContact OH-C 3.27Å; Y38-V49 PolarHBondContact OH-O 3.14Å; Y38-V49 VanDerWaalsContact OH-O 3.09Å; Y38-V51 CarbonylContact C-O 3.56Å; Y38-V51 WeakPolarHBondContact CA-O 3.4Å; Y38-Y52 HydrophobicContact CD2-CD2 4.49Å; Y38-W64 HydrophobicContact CD2-CZ2 4.23Å; Y38-W64 AromaticContact CE2-CD1 3.82Å; Y38-W64 HydrophobicContact CE2-CD2 4.07Å; Y38-W64 AromaticContact CE2-CE2 3.76Å; Y38-W64 HydrophobicContact CE2-CG 4.12Å; Y38-W64 HydrophobicContact CE2-CZ2 4.29Å; Y38-W64 AromaticContact CE2-NE1 3.6Å
39A97.6Very high93.9Very high0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-134.212816600000109.6I28 G50 V51 S405 A408 R409I28-A39 HydrophobicContact CG1-CB 4.03Å; A39-G50 WeakPolarHBondContact O-CA 3.27Å; A39-V51 PolarHBondContact N-O 3.09Å; A39-V51 PolarHBondContact O-N 3.05Å; A39-S405 WeakPolarHBondContact O-CB 3.32Å; A39-A408 HydrophobicContact CB-CB 4.47Å; A39-R409 HydrophobicContact CB-CG 4.45Å
40G97.6Very high94Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans164.3-158.8-177.900000113.1G27 W42 V49G27-G40 PolarHBondContact N-O 2.83Å; G27-G40 PolarHBondContact O-N 3.09Å; G40-W42 VanDerWaalsContact O-CD1 3.31Å; G40-V49 CarbonylContact C-O 3.55Å; G40-V49 WeakPolarHBondContact CA-O 3.1Å
41S97.4Very high94.1Very high18 Ų1840.1 Ų40.113%0.12622%0.216CC..EExtended strand (participates in β ladder)trans-96.8141.9-179.936.10000114.3G25 Y38 I48 V49 E404G25-S41 CarbonylContact O-C 3.59Å; G25-S41 WeakPolarHBondContact O-CA 3.37Å; Y38-S41 PolarHBondContact OH-O 3.38Å; S41-I48 PolarHBondContact O-N 3.03Å; S41-V49 PolarHBondContact N-O 2.8Å; S41-V49 PolarHBondContact OG-O 2.8Å; S41-E404 WeakPolarHBondContact CB-OE2 3.24Å; S41-E404 PolarHBondContact OG-OE2 2.96Å
42W96.9Very high94.4Very high20 Ų2042 Ų428%0.07622%0.218CC..EExtended strand (participates in β ladder)trans-123.6146.1-170.5-64.780.5000110.6Y14 A23 G25 G27 C29 Y38 G40 F46 E47Y14-W42 HydrophobicContact CD2-CZ2 4.28Å; Y14-W42 AromaticContact CE2-CD2 3.99Å; Y14-W42 HydrophobicContact CE2-CD2 3.99Å; Y14-W42 AromaticContact CE2-CE2 3.64Å; Y14-W42 HydrophobicContact CE2-CG 4.35Å; Y14-W42 AromaticContact CE2-CZ2 3.93Å; Y14-W42 HydrophobicContact CE2-CZ2 3.93Å; Y14-W42 AromaticContact CE2-NE1 3.78Å; A23-W42 HydrophobicContact CB-CB 4.3Å; A23-W42 HydrophobicContact CB-CD2 4Å; A23-W42 HydrophobicContact CB-CE3 3.75Å; A23-W42 HydrophobicContact CB-CG 4.24Å; A23-W42 HydrophobicContact CB-CZ3 4.42Å; G25-W42 PolarHBondContact N-O 2.86Å; G25-W42 PolarHBondContact O-N 3.29Å; G27-W42 PolarHBondContact O-NE1 3.11Å; C29-W42 HydrophobicContact CB-CH2 3.74Å; C29-W42 HydrophobicContact CB-CZ2 3.53Å; Y38-W42 AromaticContact CD1-CE2 3.71Å; Y38-W42 HydrophobicContact CD1-CH2 4.34Å; Y38-W42 AromaticContact CD1-CZ2 3.4Å; Y38-W42 HydrophobicContact CD1-CZ2 3.4Å; Y38-W42 AromaticContact CD1-NE1 3.76Å; Y38-W42 AromaticContact CE1-CE2 3.66Å; Y38-W42 AromaticContact CE1-CZ2 3.8Å; Y38-W42 HydrophobicContact CE1-CZ2 3.8Å; Y38-W42 AromaticContact CE1-NE1 3.52Å; Y38-W42 HydrophobicContact CG-CZ2 4.19Å; G40-W42 VanDerWaalsContact O-CD1 3.31Å; W42-F46 CarbonylContact C-O 3.5Å; W42-F46 VanDerWaalsContact CA-O 3.28Å; W42-F46 WeakPolarHBondContact CA-O 3.35Å; W42-E47 HydrophobicContact CE3-CG 4.39Å; W42-E47 HydrophobicContact CH2-CG 3.87Å; W42-E47 HydrophobicContact CZ2-CG 4.34Å; W42-E47 HydrophobicContact CZ3-CG 3.9Å
43S95.8Very high94.8Very high38 Ų3838.4 Ų38.427%0.26620%0.196SC..EExtended strand (participates in β ladder)trans-142.3129.1169-167.10000110.3G45 F46S43-G45 PolarHBondContact O-N 3Å; S43-F46 PolarHBondContact N-O 3.44Å; S43-F46 PolarHBondContact O-N 3.15Å
44H93.6Very high95.1Very high108 Ų10834.1 Ų34.150%0.518%0.175SC..THydrogen-bonded Turntrans51.232.2176.5-57.878000114.5
45G93.6Very high95.6Very high32 Ų3235.5 Ų35.533%0.3318%0.18SC..THydrogen-bonded Turntrans91.90.9-178.900000116.1A23 S43A23-G45 PolarHBondContact O-N 2.82Å; S43-G45 PolarHBondContact O-N 3Å
46F94.9Very high95.8Very high110 Ų11034 Ų3448%0.48218%0.18SC..EExtended strand (participates in β ladder)trans-116.4149.7-179.8-63.8-74000113.1W42 S43W42-F46 CarbonylContact C-O 3.5Å; W42-F46 VanDerWaalsContact CA-O 3.28Å; W42-F46 WeakPolarHBondContact CA-O 3.35Å; S43-F46 PolarHBondContact N-O 3.44Å; S43-F46 PolarHBondContact O-N 3.15Å
47E96.3Very high95.7Very high36 Ų3634 Ų3417%0.16818%0.181CC..EExtended strand (participates in β ladder)trans-70.1134.9173-48.392.4150.200110.9Y38 W42 W64 G67Y38-E47 HydrophobicContact CD1-CG 4.47Å; Y38-E47 HydrophobicContact CD2-CB 4.4Å; Y38-E47 HydrophobicContact CD2-CG 4Å; Y38-E47 HydrophobicContact CE1-CB 4.38Å; Y38-E47 HydrophobicContact CE1-CG 4.26Å; Y38-E47 HydrophobicContact CE2-CB 3.67Å; Y38-E47 HydrophobicContact CE2-CG 3.76Å; Y38-E47 HydrophobicContact CG-CG 4.33Å; W42-E47 HydrophobicContact CE3-CG 4.39Å; W42-E47 HydrophobicContact CH2-CG 3.87Å; W42-E47 HydrophobicContact CZ2-CG 4.34Å; W42-E47 HydrophobicContact CZ3-CG 3.9Å; E47-W64 HydrophobicContact CB-CB 3.65Å; E47-W64 HydrophobicContact CB-CD2 4.35Å; E47-W64 HydrophobicContact CB-CG 3.95Å; E47-W64 CarbonylContact O-C 3.54Å; E47-W64 VanDerWaalsContact O-CB 3.31Å; E47-W64 WeakPolarHBondContact O-CB 3.29Å; E47-G67 VanDerWaalsContact OE2-CA 3.31Å; E47-G67 WeakPolarHBondContact OE2-CA 3.28Å; E47-G67 PolarHBondContact OE2-N 2.98Å
48I96.8Very high95.6Very high74 Ų7435.3 Ų35.338%0.37919%0.188SC..EExtended strand (participates in β ladder)trans-116.9-57.3-178.5-54.7-61.8000111.3S41 Y63 W64S41-I48 PolarHBondContact O-N 3.03Å; I48-Y63 WeakPolarHBondContact O-CA 3.24Å; I48-W64 PolarHBondContact O-N 2.89Å
49V97.9Very high95.6Very high14 Ų1435.6 Ų35.69%0.08519%0.19CC..EExtended strand (participates in β ladder)trans-140.9127.2177.2172.80000109.1Y38 G40 S41 Y63 A401 E404Y38-V49 VanDerWaalsContact OH-C 3.27Å; Y38-V49 PolarHBondContact OH-O 3.14Å; Y38-V49 VanDerWaalsContact OH-O 3.09Å; G40-V49 CarbonylContact C-O 3.55Å; G40-V49 WeakPolarHBondContact CA-O 3.1Å; S41-V49 PolarHBondContact N-O 2.8Å; S41-V49 PolarHBondContact OG-O 2.8Å; V49-Y63 HydrophobicContact CG2-CD1 3.32Å; V49-Y63 HydrophobicContact CG2-CE1 3.36Å; V49-Y63 HydrophobicContact CG2-CG 4.19Å; V49-A401 HydrophobicContact CG1-CB 3.86Å; V49-E404 HydrophobicContact CB-CG 4.24Å; V49-E404 HydrophobicContact CG1-CB 4.32Å; V49-E404 HydrophobicContact CG1-CG 3.72Å
50G97.6Very high95.6Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans176177.4-18000000115.6A39 G62 W64A39-G50 WeakPolarHBondContact O-CA 3.27Å; G50-G62 PolarHBondContact N-O 3.22Å; G50-G62 PolarHBondContact O-N 3.2Å; G50-W64 PolarHBondContact O-NE1 2.92Å; G50-W64 VanDerWaalsContact O-NE1 3.15Å
51V98.2Very high95.6Very high8 Ų838.9 Ų38.95%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-100.4127.2176.3-175.70000109.5Y38 A39 Y60 K61 A401 V402Y38-V51 CarbonylContact C-O 3.56Å; Y38-V51 WeakPolarHBondContact CA-O 3.4Å; A39-V51 PolarHBondContact N-O 3.09Å; A39-V51 PolarHBondContact O-N 3.05Å; V51-Y60 CarbonylContact C-O 3.22Å; V51-Y60 VanDerWaalsContact CA-O 3.29Å; V51-Y60 WeakPolarHBondContact CA-O 3.42Å; V51-K61 HydrophobicContact CG1-CG 4.08Å; V51-K61 HydrophobicContact CG2-CB 4.46Å; V51-K61 HydrophobicContact CG2-CG 3.99Å; V51-A401 WeakPolarHBondContact CG2-O 2.95Å; V51-V402 HydrophobicContact CG2-CG2 4.09Å
52Y97.1Very high95.6Very high52 Ų5238 Ų3820%0.20420%0.199CC..EExtended strand (participates in β ladder)trans-106.7131.8163.4-170.5-73.3000109.8E37 Y38 W54 T59 Y60 W64E37-Y52 CarbonylContact O-C 3.55Å; E37-Y52 VanDerWaalsContact O-CA 3.32Å; E37-Y52 WeakPolarHBondContact O-CA 3.19Å; Y38-Y52 HydrophobicContact CD2-CD2 4.49Å; Y52-W54 AromaticContact CD1-CD2 3.77Å; Y52-W54 HydrophobicContact CD1-CD2 3.77Å; Y52-W54 AromaticContact CD1-CE2 3.66Å; Y52-W54 HydrophobicContact CD1-CE3 4.2Å; Y52-W54 HydrophobicContact CD1-CG 4.12Å; Y52-W54 HydrophobicContact CD1-CH2 4.38Å; Y52-W54 AromaticContact CD1-CZ2 3.97Å; Y52-W54 HydrophobicContact CD1-CZ2 3.97Å; Y52-W54 AromaticContact CD1-NE1 3.95Å; Y52-W54 HydrophobicContact CE1-CB 4.47Å; Y52-W54 AromaticContact CE1-CD1 3.51Å; Y52-W54 AromaticContact CE1-CD2 3.85Å; Y52-W54 HydrophobicContact CE1-CD2 3.85Å; Y52-W54 AromaticContact CE1-CE2 3.66Å; Y52-W54 AromaticContact CE1-CG 3.73Å; Y52-W54 HydrophobicContact CE1-CG 3.73Å; Y52-W54 HydrophobicContact CE1-CZ2 4.33Å; Y52-W54 AromaticContact CE1-NE1 3.44Å; Y52-T59 CarbonylContact O-C 3.5Å; Y52-T59 VanDerWaalsContact O-CA 3.26Å; Y52-T59 WeakPolarHBondContact O-CA 3.32Å; Y52-Y60 PolarHBondContact N-O 2.92Å; Y52-Y60 PolarHBondContact O-N 3.17Å; Y52-W64 HydrophobicContact CD2-CH2 4.09Å; Y52-W64 HydrophobicContact CG-CH2 4.03Å; Y52-W64 HydrophobicContact CG-CZ2 4.34Å
53T96.6Very high95.7Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-115.7121.9174.9-54.40000109.5G36 E37 T59 Y426 I427G36-T53 VanDerWaalsContact CA-O 3.26Å; G36-T53 WeakPolarHBondContact CA-O 3.5Å; E37-T53 PolarHBondContact N-O 3.14Å; E37-T53 PolarHBondContact O-N 2.88Å; T53-T59 HydrophobicContact CG2-CG2 3.97Å; T53-Y426 HydrophobicContact CG2-CD2 4.02Å; T53-Y426 HydrophobicContact CG2-CG 4.49Å; T53-I427 HydrophobicContact CG2-CD1 4.33Å; T53-I427 HydrophobicContact CG2-CG1 3.93Å
54W94.3Very high95.8Very high81 Ų8141.2 Ų41.231%0.30721%0.205SC..  trans-80.5155.1172.8-72.1-82000111Y52 S56 G57 N58Y52-W54 AromaticContact CD1-CD2 3.77Å; Y52-W54 HydrophobicContact CD1-CD2 3.77Å; Y52-W54 AromaticContact CD1-CE2 3.66Å; Y52-W54 HydrophobicContact CD1-CE3 4.2Å; Y52-W54 HydrophobicContact CD1-CG 4.12Å; Y52-W54 HydrophobicContact CD1-CH2 4.38Å; Y52-W54 AromaticContact CD1-CZ2 3.97Å; Y52-W54 HydrophobicContact CD1-CZ2 3.97Å; Y52-W54 AromaticContact CD1-NE1 3.95Å; Y52-W54 HydrophobicContact CE1-CB 4.47Å; Y52-W54 AromaticContact CE1-CD1 3.51Å; Y52-W54 AromaticContact CE1-CD2 3.85Å; Y52-W54 HydrophobicContact CE1-CD2 3.85Å; Y52-W54 AromaticContact CE1-CE2 3.66Å; Y52-W54 AromaticContact CE1-CG 3.73Å; Y52-W54 HydrophobicContact CE1-CG 3.73Å; Y52-W54 HydrophobicContact CE1-CZ2 4.33Å; Y52-W54 AromaticContact CE1-NE1 3.44Å; W54-S56 PolarHBondContact O-N 3.31Å; W54-G57 PolarHBondContact O-N 2.87Å; W54-N58 HydrophobicContact CB-CB 4.38Å; W54-N58 HydrophobicContact CE3-CB 3.87Å; W54-N58 PolarHBondContact N-O 3.37Å
55P92.5Very high95.9Very high48 Ų4838.4 Ų38.431%0.31220%0.198SC..THydrogen-bonded Turntrans-54.9-20.1175.3-2835.6000115.3Q35 G57 Y426Q35-P55 HydrophobicContact CB-CG 4.17Å; P55-G57 VanDerWaalsContact C-N 3.25Å; P55-G57 PolarHBondContact O-N 2.87Å; P55-Y426 HydrophobicContact CB-CD1 4.32Å; P55-Y426 HydrophobicContact CB-CE1 3.91Å; P55-Y426 HydrophobicContact CG-CE1 4.45Å; P55-Y426 HydrophobicContact CG-CE2 4.37Å
56S90.8Very high95.8Very high70 Ų7043.4 Ų43.449%0.4921%0.213SC..THydrogen-bonded Turntrans-83.612175.247.50000114.2W54 N58 Q430W54-S56 PolarHBondContact O-N 3.31Å; S56-N58 PolarHBondContact O-N 2.78Å; S56-N58 PolarHBondContact OG-ND2 3.1Å; S56-Q430 PolarHBondContact O-NE2 2.86Å
57G90.5Very high95.7Very high1 Ų140.1 Ų40.11%0.0121%0.21CC..SBendtrans70.7-9.3-176.900000115.6W54 P55 Y426 Q430W54-G57 PolarHBondContact O-N 2.87Å; P55-G57 VanDerWaalsContact C-N 3.25Å; P55-G57 PolarHBondContact O-N 2.87Å; G57-Y426 WeakPolarHBondContact CA-O 3.22Å; G57-Q430 VanDerWaalsContact C-NE2 3.3Å; G57-Q430 PolarHBondContact O-OE1 2.86Å
58N94.4Very high95.6Very high27 Ų2743.4 Ų43.414%0.14422%0.224CC..  trans-56.9146.4170.6-63.3-48.4000110.3W54 S56 N76 K77 G78 Q430W54-N58 HydrophobicContact CB-CB 4.38Å; W54-N58 HydrophobicContact CE3-CB 3.87Å; W54-N58 PolarHBondContact N-O 3.37Å; S56-N58 PolarHBondContact O-N 2.78Å; S56-N58 PolarHBondContact OG-ND2 3.1Å; N58-N76 WeakPolarHBondContact CA-O 3.19Å; N58-N76 WeakPolarHBondContact CB-O 3.39Å; N58-K77 VanDerWaalsContact OD1-CA 3.29Å; N58-K77 WeakPolarHBondContact OD1-CA 3.32Å; N58-G78 PolarHBondContact OD1-N 3.28Å; N58-Q430 PolarHBondContact OD1-NE2 3.46Å
59T96.6Very high95.5Very high11 Ų1141.2 Ų41.27%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-134.8151.1-178.850.30000112.8Y52 T53 E75 N76 I427Y52-T59 CarbonylContact O-C 3.5Å; Y52-T59 VanDerWaalsContact O-CA 3.26Å; Y52-T59 WeakPolarHBondContact O-CA 3.32Å; T53-T59 HydrophobicContact CG2-CG2 3.97Å; T59-E75 WeakPolarHBondContact O-CA 3.48Å; T59-N76 PolarHBondContact N-O 2.76Å; T59-N76 PolarHBondContact O-N 3.06Å; T59-I427 HydrophobicContact CG2-CD1 4.21Å; T59-I427 HydrophobicContact CG2-CG1 4.27Å
60Y97.8Very high95.5Very high0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-123.6137.5161.7173.3-92.1000109.5V51 Y52 Y63 W64 R69 H70 V74 E75 W86V51-Y60 CarbonylContact C-O 3.22Å; V51-Y60 VanDerWaalsContact CA-O 3.29Å; V51-Y60 WeakPolarHBondContact CA-O 3.42Å; Y52-Y60 PolarHBondContact N-O 2.92Å; Y52-Y60 PolarHBondContact O-N 3.17Å; Y60-Y63 WeakPolarHBondContact CE1-O 3.26Å; Y60-Y63 PolarHBondContact OH-O 3.18Å; Y60-W64 AromaticContact CD1-CE2 3.59Å; Y60-W64 HydrophobicContact CD1-CH2 4.2Å; Y60-W64 AromaticContact CD1-CZ2 3.35Å; Y60-W64 HydrophobicContact CD1-CZ2 3.35Å; Y60-W64 AromaticContact CD1-NE1 3.72Å; Y60-W64 HydrophobicContact CE1-CD2 4.33Å; Y60-W64 AromaticContact CE1-CE2 3.65Å; Y60-W64 AromaticContact CE1-CZ2 3.89Å; Y60-W64 HydrophobicContact CE1-CZ2 3.89Å; Y60-W64 AromaticContact CE1-NE1 3.57Å; Y60-W64 HydrophobicContact CG-CZ2 4.31Å; Y60-R69 HydrophobicContact CD1-CG 3.88Å; Y60-R69 HydrophobicContact CD2-CB 4.48Å; Y60-R69 VanDerWaalsContact CD2-CD 3.46Å; Y60-R69 HydrophobicContact CD2-CG 4.04Å; Y60-R69 HydrophobicContact CE1-CB 4.06Å; Y60-R69 HydrophobicContact CE1-CG 3.84Å; Y60-R69 HydrophobicContact CE2-CB 3.95Å; Y60-R69 HydrophobicContact CE2-CG 4Å; Y60-R69 HydrophobicContact CG-CG 3.94Å; Y60-H70 PolarHBondContact OH-O 3.39Å; Y60-V74 CarbonylContact C-O 3.55Å; Y60-V74 VanDerWaalsContact CA-O 3.31Å; Y60-V74 WeakPolarHBondContact CA-O 3.23Å; Y60-E75 HydrophobicContact CD2-CB 4.37Å; Y60-W86 HydrophobicContact CD2-CZ2 4.26Å; Y60-W86 AromaticContact CE2-CD1 3.83Å; Y60-W86 AromaticContact CE2-CD2 3.91Å; Y60-W86 HydrophobicContact CE2-CD2 3.91Å; Y60-W86 AromaticContact CE2-CE2 3.62Å; Y60-W86 HydrophobicContact CE2-CG 4.04Å; Y60-W86 HydrophobicContact CE2-CZ2 4.1Å; Y60-W86 AromaticContact CE2-NE1 3.58Å
61K98.3Very high95.4Very high69 Ų6945 Ų4530%0.324%0.236SC..EExtended strand (participates in β ladder)trans-132.6114.8-177.6-56.9-179.4171.2-168.70109V51 G73 V74 A401 V402V51-K61 HydrophobicContact CG1-CG 4.08Å; V51-K61 HydrophobicContact CG2-CB 4.46Å; V51-K61 HydrophobicContact CG2-CG 3.99Å; K61-G73 CarbonylContact O-C 3.56Å; K61-G73 VanDerWaalsContact O-CA 3.25Å; K61-G73 WeakPolarHBondContact O-CA 3.13Å; K61-V74 PolarHBondContact N-O 2.67Å; K61-V74 PolarHBondContact O-N 3.41Å; K61-A401 HydrophobicContact CB-CB 4.41Å; K61-V402 HydrophobicContact CD-CG2 3.79Å
62G98.1Very high95.4Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans157.6-151.7177.900000113.5G50 W64 L72 A401G50-G62 PolarHBondContact N-O 3.22Å; G50-G62 PolarHBondContact O-N 3.2Å; G62-W64 PolarHBondContact O-NE1 2.71Å; G62-L72 WeakPolarHBondContact CA-O 3.37Å; G62-A401 VanDerWaalsContact N-CB 3.3Å
63Y98.1Very high95.5Very high101 Ų10144 Ų4440%0.39623%0.233SC..EExtended strand (participates in β ladder)trans-80.7153.4-179.2-66.3-85.6000113I48 V49 Y60 H70 L72 A397I48-Y63 WeakPolarHBondContact O-CA 3.24Å; V49-Y63 HydrophobicContact CG2-CD1 3.32Å; V49-Y63 HydrophobicContact CG2-CE1 3.36Å; V49-Y63 HydrophobicContact CG2-CG 4.19Å; Y60-Y63 WeakPolarHBondContact CE1-O 3.26Å; Y60-Y63 PolarHBondContact OH-O 3.18Å; Y63-H70 CarbonylContact C-O 3.58Å; Y63-H70 WeakPolarHBondContact CB-O 3.44Å; Y63-H70 PolarHBondContact O-N 3.17Å; Y63-H70 VanDerWaalsContact O-N 3.13Å; Y63-L72 HydrophobicContact CD2-CB 4.08Å; Y63-L72 WeakPolarHBondContact CD2-O 3.4Å; Y63-L72 HydrophobicContact CE2-CB 4.34Å; Y63-L72 PolarHBondContact N-O 2.84Å; Y63-A397 HydrophobicContact CD2-CB 4.06Å; Y63-A397 HydrophobicContact CE2-CB 3.65Å
64W97.6Very high95.5Very high24 Ų2444.3 Ų44.39%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-134158.8-178.7-66.181.6000110.9Y38 E47 I48 G50 Y52 Y60 G62 K68 R69Y38-W64 HydrophobicContact CD2-CZ2 4.23Å; Y38-W64 AromaticContact CE2-CD1 3.82Å; Y38-W64 HydrophobicContact CE2-CD2 4.07Å; Y38-W64 AromaticContact CE2-CE2 3.76Å; Y38-W64 HydrophobicContact CE2-CG 4.12Å; Y38-W64 HydrophobicContact CE2-CZ2 4.29Å; Y38-W64 AromaticContact CE2-NE1 3.6Å; E47-W64 HydrophobicContact CB-CB 3.65Å; E47-W64 HydrophobicContact CB-CD2 4.35Å; E47-W64 HydrophobicContact CB-CG 3.95Å; E47-W64 CarbonylContact O-C 3.54Å; E47-W64 VanDerWaalsContact O-CB 3.31Å; E47-W64 WeakPolarHBondContact O-CB 3.29Å; I48-W64 PolarHBondContact O-N 2.89Å; G50-W64 PolarHBondContact O-NE1 2.92Å; G50-W64 VanDerWaalsContact O-NE1 3.15Å; Y52-W64 HydrophobicContact CD2-CH2 4.09Å; Y52-W64 HydrophobicContact CG-CH2 4.03Å; Y52-W64 HydrophobicContact CG-CZ2 4.34Å; Y60-W64 AromaticContact CD1-CE2 3.59Å; Y60-W64 HydrophobicContact CD1-CH2 4.2Å; Y60-W64 AromaticContact CD1-CZ2 3.35Å; Y60-W64 HydrophobicContact CD1-CZ2 3.35Å; Y60-W64 AromaticContact CD1-NE1 3.72Å; Y60-W64 HydrophobicContact CE1-CD2 4.33Å; Y60-W64 AromaticContact CE1-CE2 3.65Å; Y60-W64 AromaticContact CE1-CZ2 3.89Å; Y60-W64 HydrophobicContact CE1-CZ2 3.89Å; Y60-W64 AromaticContact CE1-NE1 3.57Å; Y60-W64 HydrophobicContact CG-CZ2 4.31Å; G62-W64 PolarHBondContact O-NE1 2.71Å; W64-K68 CarbonylContact C-O 3.51Å; W64-K68 WeakPolarHBondContact CA-O 3.43Å; W64-R69 HydrophobicContact CE3-CG 4.44Å; W64-R69 HydrophobicContact CH2-CG 4.01Å; W64-R69 HydrophobicContact CZ2-CG 4.42Å; W64-R69 HydrophobicContact CZ3-CG 4.02Å
65S95.8Very high95.7Very high49 Ų4941.3 Ų41.334%0.34323%0.225SC..EExtended strand (participates in β ladder)trans-160.4127.5172.1-172.90000109.4G67 K68S65-G67 PolarHBondContact O-N 2.73Å; S65-K68 PolarHBondContact N-O 2.72Å; S65-K68 WeakPolarHBondContact O-CB 3.38Å; S65-K68 PolarHBondContact O-N 3.48Å; S65-K68 VanDerWaalsContact O-O 3.13Å
66Q92.6Very high95.8Very high136 Ų13640.7 Ų40.764%0.63622%0.219SC*.THydrogen-bonded Turntrans52.349.2176.6-56.4178.9-13.500113.5K68Q66-K68 PolarHBondContact O-N 3.42Å
67G91.1Very high95.8Very high42 Ų4241.6 Ų41.643%0.43321%0.214SC..THydrogen-bonded Turntrans67.212.2-177.600000115.1E47 S65E47-G67 VanDerWaalsContact OE2-CA 3.31Å; E47-G67 WeakPolarHBondContact OE2-CA 3.28Å; E47-G67 PolarHBondContact OE2-N 2.98Å; S65-G67 PolarHBondContact O-N 2.73Å
68K94.8Very high95.8Very high104 Ų10443.4 Ų43.445%0.45223%0.233SC..EExtended strand (participates in β ladder)trans-128.3144.1-175-65.3167.1-171.1164.60111.6W64 S65 Q66 H70W64-K68 CarbonylContact C-O 3.51Å; W64-K68 WeakPolarHBondContact CA-O 3.43Å; S65-K68 PolarHBondContact N-O 2.72Å; S65-K68 WeakPolarHBondContact O-CB 3.38Å; S65-K68 PolarHBondContact O-N 3.48Å; S65-K68 VanDerWaalsContact O-O 3.13Å; Q66-K68 PolarHBondContact O-N 3.42Å; K68-H70 PolarHBondContact O-N 3.04Å
69R95.9Very high95.5Very high28 Ų2848 Ų4811%0.10625%0.248CC..EExtended strand (participates in β ladder)trans-58.4127.8171.4-57.1178.6-66.3-175.45.6110.1Y60 W64 E75 W86 G89Y60-R69 HydrophobicContact CD1-CG 3.88Å; Y60-R69 HydrophobicContact CD2-CB 4.48Å; Y60-R69 VanDerWaalsContact CD2-CD 3.46Å; Y60-R69 HydrophobicContact CD2-CG 4.04Å; Y60-R69 HydrophobicContact CE1-CB 4.06Å; Y60-R69 HydrophobicContact CE1-CG 3.84Å; Y60-R69 HydrophobicContact CE2-CB 3.95Å; Y60-R69 HydrophobicContact CE2-CG 4Å; Y60-R69 HydrophobicContact CG-CG 3.94Å; W64-R69 HydrophobicContact CE3-CG 4.44Å; W64-R69 HydrophobicContact CH2-CG 4.01Å; W64-R69 HydrophobicContact CZ2-CG 4.42Å; W64-R69 HydrophobicContact CZ3-CG 4.02Å; R69-E75 IonicContact CZ-OE1 3.71Å; R69-E75 IonicContact NH1-OE1 2.7Å; R69-E75 PolarHBondContact NH1-OE1 3.49Å; R69-E75 IonicContact NH2-OE1 2.69Å; R69-W86 HydrophobicContact CB-CD2 4.34Å; R69-W86 HydrophobicContact CB-CE3 4.05Å; R69-W86 VanDerWaalsContact NH2-CZ3 3.33Å; R69-G89 PolarHBondContact NE-O 2.83Å; R69-G89 PolarHBondContact NH2-O 2.79Å; R69-G89 WeakPolarHBondContact O-CA 3.48Å; R69-G89 PolarHBondContact O-N 3.19Å
70H96.3Very high95.1Very high63 Ų6351.4 Ų51.429%0.29226%0.26SS..EExtended strand (participates in β ladder)trans-146.2168.8-173.4-154.698000110.9Y60 Y63 K68 L72 W86Y60-H70 PolarHBondContact OH-O 3.39Å; Y63-H70 CarbonylContact C-O 3.58Å; Y63-H70 WeakPolarHBondContact CB-O 3.44Å; Y63-H70 PolarHBondContact O-N 3.17Å; Y63-H70 VanDerWaalsContact O-N 3.13Å; K68-H70 PolarHBondContact O-N 3.04Å; H70-L72 PolarHBondContact O-N 3.11Å; H70-W86 CarbonylContact C-O 3.52Å
71G97Very high95Very high31 Ų3152.4 Ų52.432%0.3227%0.265SS..EExtended strand (participates in β ladder)trans70.4-118.4168.200000112.4E85 W86G71-E85 CarbonylContact O-C 3.54Å; G71-E85 VanDerWaalsContact O-CA 3.3Å; G71-E85 WeakPolarHBondContact O-CA 3.45Å; G71-W86 PolarHBondContact N-O 2.86Å; G71-W86 PolarHBondContact O-N 2.7Å
72L98.3Very high95Very high38 Ų3849.2 Ų49.220%0.19925%0.251CS..EExtended strand (participates in β ladder)trans-115.9143.3175.2-68.4171.2000110.1G62 Y63 H70 G84 E85 K390 A393 A394 A397G62-L72 WeakPolarHBondContact CA-O 3.37Å; Y63-L72 HydrophobicContact CD2-CB 4.08Å; Y63-L72 WeakPolarHBondContact CD2-O 3.4Å; Y63-L72 HydrophobicContact CE2-CB 4.34Å; Y63-L72 PolarHBondContact N-O 2.84Å; H70-L72 PolarHBondContact O-N 3.11Å; L72-G84 WeakPolarHBondContact CA-O 3.32Å; L72-E85 HydrophobicContact CD2-CG 4.12Å; L72-K390 HydrophobicContact CD2-CD 4.2Å; L72-A393 HydrophobicContact CD1-CB 3.75Å; L72-A394 HydrophobicContact CB-CB 4.37Å; L72-A394 HydrophobicContact CD2-CB 4.47Å; L72-A397 HydrophobicContact CB-CB 3.93Å
73G97.6Very high95Very high0 Ų051.4 Ų51.40%026%0.259CS..EExtended strand (participates in β ladder)trans179.5166177.200000115.4K61 G84 W86K61-G73 CarbonylContact O-C 3.56Å; K61-G73 VanDerWaalsContact O-CA 3.25Å; K61-G73 WeakPolarHBondContact O-CA 3.13Å; G73-G84 PolarHBondContact N-O 2.87Å; G73-G84 PolarHBondContact O-N 2.8Å; G73-W86 PolarHBondContact O-NE1 2.78Å
74V98.3Very high94.9Very high8 Ų846.6 Ų46.65%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-116.3122.4-175.7179.70000109.6Y60 K61 I81 Y82 R83 A394Y60-V74 CarbonylContact C-O 3.55Å; Y60-V74 VanDerWaalsContact CA-O 3.31Å; Y60-V74 WeakPolarHBondContact CA-O 3.23Å; K61-V74 PolarHBondContact N-O 2.67Å; K61-V74 PolarHBondContact O-N 3.41Å; V74-I81 HydrophobicContact CG1-CD1 3.72Å; V74-I81 HydrophobicContact CG1-CG1 3.72Å; V74-Y82 CarbonylContact C-O 3.59Å; V74-Y82 VanDerWaalsContact CA-O 3.24Å; V74-Y82 WeakPolarHBondContact CA-O 3.4Å; V74-R83 HydrophobicContact CG1-CG 4.17Å; V74-R83 HydrophobicContact CG2-CB 4.31Å; V74-R83 HydrophobicContact CG2-CG 3.97Å; V74-A394 HydrophobicContact CG2-CB 4.32Å; V74-A394 WeakPolarHBondContact CG2-O 3.42Å
75E97.1Very high94.9Very high18 Ų1847 Ų478%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-103.7123172.5171.5-172.4-112.300108.9T59 Y60 R69 K77 I81 Y82 W86 K91T59-E75 WeakPolarHBondContact O-CA 3.48Å; Y60-E75 HydrophobicContact CD2-CB 4.37Å; R69-E75 IonicContact CZ-OE1 3.71Å; R69-E75 IonicContact NH1-OE1 2.7Å; R69-E75 PolarHBondContact NH1-OE1 3.49Å; R69-E75 IonicContact NH2-OE1 2.69Å; E75-K77 HydrophobicContact CG-CB 4.16Å; E75-I81 CarbonylContact O-C 3.59Å; E75-I81 WeakPolarHBondContact O-CA 3.39Å; E75-Y82 PolarHBondContact N-O 3.1Å; E75-Y82 PolarHBondContact O-N 2.83Å; E75-W86 HydrophobicContact CB-CH2 3.95Å; E75-W86 HydrophobicContact CB-CZ2 3.56Å; E75-W86 HydrophobicContact CG-CH2 4.38Å; E75-W86 HydrophobicContact CG-CZ2 4.47Å; E75-K91 WeakPolarHBondContact OE2-CE 3.39Å; E75-K91 IonicContact OE2-NZ 2.7Å; E75-K91 PolarHBondContact OE2-NZ 2.88Å
76N95.6Very high95Very high35 Ų3544.8 Ų44.819%0.18723%0.227CC..EExtended strand (participates in β ladder)trans-102.3114.9164.6-176.414.6000109N58 T59 H100N58-N76 WeakPolarHBondContact CA-O 3.19Å; N58-N76 WeakPolarHBondContact CB-O 3.39Å; T59-N76 PolarHBondContact N-O 2.76Å; T59-N76 PolarHBondContact O-N 3.06Å; N76-H100 PolarHBondContact OD1-NE2 2.91Å
77K91.1Very high95Very high89 Ų8940.9 Ų40.939%0.38722%0.215SC..EExtended strand (participates in β ladder)trans-131.396.1-177.5-169.8-179.7179.4-174.90110.8N58 E75 R79 W80N58-K77 VanDerWaalsContact OD1-CA 3.29Å; N58-K77 WeakPolarHBondContact OD1-CA 3.32Å; E75-K77 HydrophobicContact CG-CB 4.16Å; K77-R79 PolarHBondContact O-N 2.89Å; K77-W80 PolarHBondContact N-O 2.78Å; K77-W80 PolarHBondContact O-N 2.87Å; K77-W80 VanDerWaalsContact O-N 3.11Å
78G89.1Confident95Very high39 Ų3944.8 Ų44.840%0.40222%0.221SC..THydrogen-bonded Turntrans59.1-120-176.900000111.7N58 W80 H100N58-G78 PolarHBondContact OD1-N 3.28Å; G78-W80 PolarHBondContact O-N 3.22Å; G78-H100 PolarHBondContact O-CD2 3.34Å
79R87.9Confident94.9Very high122 Ų12240.5 Ų40.546%0.4621%0.207SC..THydrogen-bonded Turntrans-80.73.1178.3-55.4-168-166-175.16.4114.3K77 S99 H100K77-R79 PolarHBondContact O-N 2.89Å; R79-S99 WeakPolarHBondContact O-CA 3.34Å; R79-H100 PolarHBondContact O-N 3.28Å
80W89.2Confident94.7Very high84 Ų8443.8 Ų43.832%0.31822%0.222SC..EExtended strand (participates in β ladder)trans-118.4131-173-59.2109.1000112.4K77 G78 R97 L166K77-W80 PolarHBondContact N-O 2.78Å; K77-W80 PolarHBondContact O-N 2.87Å; K77-W80 VanDerWaalsContact O-N 3.11Å; G78-W80 PolarHBondContact O-N 3.22Å; W80-R97 HydrophobicContact CE3-CG 4Å; W80-L166 HydrophobicContact CE3-CD2 4.33Å; W80-L166 HydrophobicContact CH2-CD2 3.33Å; W80-L166 HydrophobicContact CZ2-CD2 4.45Å; W80-L166 HydrophobicContact CZ3-CD2 3.23Å
81I95.9Very high94.5Very high20 Ų2041.8 Ų41.810%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-105.7139.2163.4-168.6166000109.6V74 E75 R83 R97 Q98V74-I81 HydrophobicContact CG1-CD1 3.72Å; V74-I81 HydrophobicContact CG1-CG1 3.72Å; E75-I81 CarbonylContact O-C 3.59Å; E75-I81 WeakPolarHBondContact O-CA 3.39Å; I81-R83 HydrophobicContact CG1-CG 4.39Å; I81-R97 CarbonylContact O-C 3.45Å; I81-R97 WeakPolarHBondContact O-CA 2.79Å; I81-Q98 HydrophobicContact CG2-CB 3.84Å; I81-Q98 HydrophobicContact CG2-CG 4.46Å; I81-Q98 PolarHBondContact N-O 2.83Å; I81-Q98 PolarHBondContact O-N 3.36Å
82Y97.1Very high94.3Very high2 Ų240.6 Ų40.61%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-124.5133.7168.9171.7-90.6000109.9V74 E75 E85 W86 K91 Y94 V96 R97 W110V74-Y82 CarbonylContact C-O 3.59Å; V74-Y82 VanDerWaalsContact CA-O 3.24Å; V74-Y82 WeakPolarHBondContact CA-O 3.4Å; E75-Y82 PolarHBondContact N-O 3.1Å; E75-Y82 PolarHBondContact O-N 2.83Å; Y82-E85 PolarHBondContact OH-O 2.91Å; Y82-W86 AromaticContact CD1-CE2 3.79Å; Y82-W86 HydrophobicContact CD1-CH2 4.33Å; Y82-W86 AromaticContact CD1-CZ2 3.44Å; Y82-W86 HydrophobicContact CD1-CZ2 3.44Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.44Å; Y82-W86 AromaticContact CD1-NE1 3.86Å; Y82-W86 AromaticContact CE1-CE2 3.68Å; Y82-W86 AromaticContact CE1-CZ2 3.76Å; Y82-W86 HydrophobicContact CE1-CZ2 3.76Å; Y82-W86 AromaticContact CE1-NE1 3.62Å; Y82-K91 VanDerWaalsContact CB-NZ 3.27Å; Y82-K91 HydrophobicContact CD1-CD 4Å; Y82-K91 HydrophobicContact CD1-CG 4.27Å; Y82-K91 HydrophobicContact CD2-CD 3.81Å; Y82-K91 HydrophobicContact CE1-CB 4.24Å; Y82-K91 HydrophobicContact CE1-CD 3.96Å; Y82-K91 HydrophobicContact CE1-CG 3.87Å; Y82-K91 HydrophobicContact CE2-CB 4.48Å; Y82-K91 HydrophobicContact CE2-CD 3.8Å; Y82-K91 HydrophobicContact CE2-CG 4.36Å; Y82-K91 HydrophobicContact CG-CD 3.9Å; Y82-Y94 PolarHBondContact OH-O 3.25Å; Y82-V96 CarbonylContact C-O 3.53Å; Y82-V96 VanDerWaalsContact CA-O 3.28Å; Y82-V96 WeakPolarHBondContact CA-O 3.28Å; Y82-V96 VanDerWaalsContact CD2-O 3.3Å; Y82-V96 WeakPolarHBondContact CD2-O 3.35Å; Y82-R97 HydrophobicContact CD2-CB 4.28Å; Y82-W110 HydrophobicContact CD2-CH2 4.21Å; Y82-W110 AromaticContact CD2-CZ2 3.8Å; Y82-W110 HydrophobicContact CD2-CZ2 3.8Å; Y82-W110 HydrophobicContact CE2-CD2 4.15Å; Y82-W110 AromaticContact CE2-CE2 3.56Å; Y82-W110 HydrophobicContact CE2-CH2 4.32Å; Y82-W110 AromaticContact CE2-CZ2 3.64Å; Y82-W110 HydrophobicContact CE2-CZ2 3.64Å; Y82-W110 AromaticContact CE2-NE1 3.72Å
83R98.3Very high94.2Very high47 Ų4747 Ų4718%0.17722%0.222CC..EExtended strand (participates in β ladder)trans-126.6125.4179.7-56.9178.1165.8111.8-10.1108.8V74 I81 G95 V96 S391 A394 E395V74-R83 HydrophobicContact CG1-CG 4.17Å; V74-R83 HydrophobicContact CG2-CB 4.31Å; V74-R83 HydrophobicContact CG2-CG 3.97Å; I81-R83 HydrophobicContact CG1-CG 4.39Å; R83-G95 CarbonylContact O-C 3.53Å; R83-G95 VanDerWaalsContact O-CA 3.25Å; R83-G95 WeakPolarHBondContact O-CA 3.1Å; R83-V96 PolarHBondContact N-O 3.2Å; R83-V96 PolarHBondContact O-N 3.2Å; R83-S391 VanDerWaalsContact CB-OG 3.25Å; R83-S391 WeakPolarHBondContact CB-OG 3.42Å; R83-S391 VanDerWaalsContact CD-OG 3.23Å; R83-S391 WeakPolarHBondContact CD-OG 3.34Å; R83-A394 HydrophobicContact CB-CB 4.42Å; R83-E395 WeakPolarHBondContact CD-OE2 3.34Å; R83-E395 IonicContact CZ-OE1 3.34Å; R83-E395 IonicContact CZ-OE2 3.93Å; R83-E395 VanDerWaalsContact NE-CD 3.33Å; R83-E395 IonicContact NE-OE1 3.56Å; R83-E395 PolarHBondContact NE-OE1 3.13Å; R83-E395 IonicContact NE-OE2 3.55Å; R83-E395 PolarHBondContact NE-OE2 3.41Å; R83-E395 IonicContact NH2-OE1 3.25Å; R83-E395 PolarHBondContact NH2-OE1 2.98Å; R83-E395 IonicContact NH2-OE2 3.62Å
84G97.3Very high94.2Very high0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans158.8-150.1174.400000114.2L72 G73 A394L72-G84 WeakPolarHBondContact CA-O 3.32Å; G73-G84 PolarHBondContact N-O 2.87Å; G73-G84 PolarHBondContact O-N 2.8Å; G84-A394 VanDerWaalsContact N-CB 3.28Å
85E97.3Very high94.1Very high33 Ų3347.7 Ų47.715%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-77.5151.6-178.7-62.2178.1152.800112.1G71 L72 Y82 G92 R93 Y94 K390G71-E85 CarbonylContact O-C 3.54Å; G71-E85 VanDerWaalsContact O-CA 3.3Å; G71-E85 WeakPolarHBondContact O-CA 3.45Å; L72-E85 HydrophobicContact CD2-CG 4.12Å; Y82-E85 PolarHBondContact OH-O 2.91Å; E85-G92 WeakPolarHBondContact O-CA 3.32Å; E85-G92 PolarHBondContact O-N 3.49Å; E85-R93 PolarHBondContact OE2-N 2.86Å; E85-Y94 PolarHBondContact N-O 3.38Å; E85-Y94 WeakPolarHBondContact OE2-CD2 3.38Å; E85-Y94 PolarHBondContact OE2-N 3.21Å; E85-K390 HydrophobicContact CG-CB 4.41Å; E85-K390 HydrophobicContact CG-CD 3.98Å; E85-K390 HydrophobicContact CG-CG 4.32Å; E85-K390 WeakPolarHBondContact OE1-CD 3.42Å; E85-K390 VanDerWaalsContact OE1-CE 3.23Å; E85-K390 WeakPolarHBondContact OE1-CE 3.49Å; E85-K390 IonicContact OE1-NZ 3.6Å; E85-K390 PolarHBondContact OE1-NZ 2.91Å
86W96.3Very high94.1Very high2 Ų247.4 Ų47.41%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-136.8144.2176.7-70.887.6000110.9Y60 R69 H70 G71 G73 E75 Y82 F90 K91Y60-W86 HydrophobicContact CD2-CZ2 4.26Å; Y60-W86 AromaticContact CE2-CD1 3.83Å; Y60-W86 AromaticContact CE2-CD2 3.91Å; Y60-W86 HydrophobicContact CE2-CD2 3.91Å; Y60-W86 AromaticContact CE2-CE2 3.62Å; Y60-W86 HydrophobicContact CE2-CG 4.04Å; Y60-W86 HydrophobicContact CE2-CZ2 4.1Å; Y60-W86 AromaticContact CE2-NE1 3.58Å; R69-W86 HydrophobicContact CB-CD2 4.34Å; R69-W86 HydrophobicContact CB-CE3 4.05Å; R69-W86 VanDerWaalsContact NH2-CZ3 3.33Å; H70-W86 CarbonylContact C-O 3.52Å; G71-W86 PolarHBondContact N-O 2.86Å; G71-W86 PolarHBondContact O-N 2.7Å; G73-W86 PolarHBondContact O-NE1 2.78Å; E75-W86 HydrophobicContact CB-CH2 3.95Å; E75-W86 HydrophobicContact CB-CZ2 3.56Å; E75-W86 HydrophobicContact CG-CH2 4.38Å; E75-W86 HydrophobicContact CG-CZ2 4.47Å; Y82-W86 AromaticContact CD1-CE2 3.79Å; Y82-W86 HydrophobicContact CD1-CH2 4.33Å; Y82-W86 AromaticContact CD1-CZ2 3.44Å; Y82-W86 HydrophobicContact CD1-CZ2 3.44Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.44Å; Y82-W86 AromaticContact CD1-NE1 3.86Å; Y82-W86 AromaticContact CE1-CE2 3.68Å; Y82-W86 AromaticContact CE1-CZ2 3.76Å; Y82-W86 HydrophobicContact CE1-CZ2 3.76Å; Y82-W86 AromaticContact CE1-NE1 3.62Å; W86-F90 WeakPolarHBondContact CA-O 3.47Å; W86-F90 VanDerWaalsContact CE3-O 3.24Å; W86-K91 HydrophobicContact CE3-CG 4.33Å; W86-K91 HydrophobicContact CH2-CD 4.37Å; W86-K91 HydrophobicContact CH2-CG 3.77Å; W86-K91 HydrophobicContact CZ2-CG 4.24Å; W86-K91 HydrophobicContact CZ3-CG 3.79Å
87S94Very high94.1Very high53 Ų5346.3 Ų46.337%0.37122%0.216SC..EExtended strand (participates in β ladder)trans-150120.2-179-59.20000110G89 F90S87-G89 PolarHBondContact O-N 3.38Å; S87-G89 VanDerWaalsContact O-N 3.14Å; S87-F90 PolarHBondContact N-O 2.81Å; S87-F90 PolarHBondContact O-N 3.24Å
88H91.2Very high94.3Very high124 Ų12445.4 Ų45.457%0.57421%0.213SC*.THydrogen-bonded Turntrans52.333.3178.6-52.2102000114.6
89G92.1Very high94.3Very high15 Ų1544 Ų4416%0.15520%0.197CC..THydrogen-bonded Turntrans89.7-11.6-178.100000115.5R69 S87R69-G89 PolarHBondContact NE-O 2.83Å; R69-G89 PolarHBondContact NH2-O 2.79Å; R69-G89 WeakPolarHBondContact O-CA 3.48Å; R69-G89 PolarHBondContact O-N 3.19Å; S87-G89 PolarHBondContact O-N 3.38Å; S87-G89 VanDerWaalsContact O-N 3.14Å
90F91Very high94.3Very high96 Ų9642.6 Ų42.642%0.42120%0.196SC..EExtended strand (participates in β ladder)trans-99163.9176.3-61.9-83.9000111.9W86 S87 G92W86-F90 WeakPolarHBondContact CA-O 3.47Å; W86-F90 VanDerWaalsContact CE3-O 3.24Å; S87-F90 PolarHBondContact N-O 2.81Å; S87-F90 PolarHBondContact O-N 3.24Å; F90-G92 PolarHBondContact O-N 2.95Å
91K92.4Very high94.1Very high22 Ų2244 Ų4410%0.09621%0.209CC..EExtended strand (participates in β ladder)trans-68.3125.9175.1-62.2-175.3177.1-165.40109.4E75 Y82 W86 W110E75-K91 WeakPolarHBondContact OE2-CE 3.39Å; E75-K91 IonicContact OE2-NZ 2.7Å; E75-K91 PolarHBondContact OE2-NZ 2.88Å; Y82-K91 VanDerWaalsContact CB-NZ 3.27Å; Y82-K91 HydrophobicContact CD1-CD 4Å; Y82-K91 HydrophobicContact CD1-CG 4.27Å; Y82-K91 HydrophobicContact CD2-CD 3.81Å; Y82-K91 HydrophobicContact CE1-CB 4.24Å; Y82-K91 HydrophobicContact CE1-CD 3.96Å; Y82-K91 HydrophobicContact CE1-CG 3.87Å; Y82-K91 HydrophobicContact CE2-CB 4.48Å; Y82-K91 HydrophobicContact CE2-CD 3.8Å; Y82-K91 HydrophobicContact CE2-CG 4.36Å; Y82-K91 HydrophobicContact CG-CD 3.9Å; W86-K91 HydrophobicContact CE3-CG 4.33Å; W86-K91 HydrophobicContact CH2-CD 4.37Å; W86-K91 HydrophobicContact CH2-CG 3.77Å; W86-K91 HydrophobicContact CZ2-CG 4.24Å; W86-K91 HydrophobicContact CZ3-CG 3.79Å; K91-W110 HydrophobicContact CD-CE3 4.27Å; K91-W110 HydrophobicContact CD-CZ3 4.25Å
92G93.1Very high93.7Very high5 Ų545.9 Ų45.95%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-73.1-175.3179.400000112E85 F90 Y94E85-G92 WeakPolarHBondContact O-CA 3.32Å; E85-G92 PolarHBondContact O-N 3.49Å; F90-G92 PolarHBondContact O-N 2.95Å; G92-Y94 VanDerWaalsContact C-N 3.31Å; G92-Y94 PolarHBondContact O-N 2.92Å
93R95.6Very high93.2Very high174 Ų17449.1 Ų49.166%0.65724%0.243SC*.EExtended strand (participates in β ladder)trans-61.7-35.6-166.5-177176.9-71.1165.7-0.3113.2E85 T109 W110E85-R93 PolarHBondContact OE2-N 2.86Å; R93-T109 HydrophobicContact CG-CG2 4.44Å; R93-T109 CarbonylContact O-C 3.49Å; R93-T109 WeakPolarHBondContact O-CA 3.43Å; R93-T109 WeakPolarHBondContact O-CB 3.49Å; R93-W110 PolarHBondContact O-N 2.73Å
94Y97.7Very high92.7Very high22 Ų2247 Ų479%0.08624%0.236CC..EExtended strand (participates in β ladder)trans-124.5137.9-177-65.6-85.3000113Y82 E85 G92 T109 R383 H386 A387Y82-Y94 PolarHBondContact OH-O 3.25Å; E85-Y94 PolarHBondContact N-O 3.38Å; E85-Y94 WeakPolarHBondContact OE2-CD2 3.38Å; E85-Y94 PolarHBondContact OE2-N 3.21Å; G92-Y94 VanDerWaalsContact C-N 3.31Å; G92-Y94 PolarHBondContact O-N 2.92Å; Y94-T109 HydrophobicContact CD1-CG2 3.72Å; Y94-T109 HydrophobicContact CE1-CG2 3.46Å; Y94-T109 VanDerWaalsContact CE1-CG2 3.46Å; Y94-R383 HydrophobicContact CE1-CB 4.37Å; Y94-R383 WeakPolarHBondContact OH-CD 3.45Å; Y94-R383 PolarHBondContact OH-NH1 2.93Å; Y94-H386 HydrophobicContact CD1-CB 4.33Å; Y94-H386 AromaticContact CD1-ND1 3.22Å; Y94-H386 WeakPolarHBondContact CD1-ND1 3.26Å; Y94-H386 AromaticContact CD2-CE1 3.29Å; Y94-H386 WeakPolarHBondContact CD2-CE1 3.44Å; Y94-H386 AromaticContact CD2-ND1 3.21Å; Y94-H386 WeakPolarHBondContact CD2-ND1 3.24Å; Y94-H386 HydrophobicContact CE1-CB 4.14Å; Y94-H386 AromaticContact CE1-ND1 3.31Å; Y94-H386 VanDerWaalsContact CE1-ND1 3.31Å; Y94-H386 WeakPolarHBondContact CE1-ND1 3.25Å; Y94-H386 AromaticContact CE2-CE1 3.35Å; Y94-H386 WeakPolarHBondContact CE2-CE1 3.34Å; Y94-H386 AromaticContact CE2-ND1 3.29Å; Y94-H386 VanDerWaalsContact CE2-ND1 3.29Å; Y94-H386 WeakPolarHBondContact CE2-ND1 3.31Å; Y94-H386 AromaticContact CG-CE1 3.7Å; Y94-H386 AromaticContact CG-ND1 3.16Å; Y94-H386 AromaticContact CZ-CE1 3.83Å; Y94-H386 AromaticContact CZ-ND1 3.33Å; Y94-H386 VanDerWaalsContact CZ-ND1 3.33Å; Y94-A387 HydrophobicContact CD1-CB 4.39Å
95G96.7Very high92.5Very high0 Ų051.2 Ų51.20%025%0.252CS..EExtended strand (participates in β ladder)trans177172.5169.300000113.9R83 G108 W110R83-G95 CarbonylContact O-C 3.53Å; R83-G95 VanDerWaalsContact O-CA 3.25Å; R83-G95 WeakPolarHBondContact O-CA 3.1Å; G95-G108 PolarHBondContact N-O 3.46Å; G95-G108 PolarHBondContact O-N 2.97Å; G95-W110 PolarHBondContact O-NE1 3.1Å
96V97.8Very high92.5Very high11 Ų1149.6 Ų49.67%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-113.7131.6-179178.30000109.3Y82 R83 Y106 E107Y82-V96 CarbonylContact C-O 3.53Å; Y82-V96 VanDerWaalsContact CA-O 3.28Å; Y82-V96 WeakPolarHBondContact CA-O 3.28Å; Y82-V96 VanDerWaalsContact CD2-O 3.3Å; Y82-V96 WeakPolarHBondContact CD2-O 3.35Å; R83-V96 PolarHBondContact N-O 3.2Å; R83-V96 PolarHBondContact O-N 3.2Å; V96-Y106 CarbonylContact C-O 3.56Å; V96-Y106 VanDerWaalsContact CA-O 3.24Å; V96-Y106 WeakPolarHBondContact CA-O 3.16Å; V96-E107 HydrophobicContact CG1-CG 4.03Å; V96-E107 HydrophobicContact CG2-CB 4.26Å; V96-E107 HydrophobicContact CG2-CG 4.05Å
97R95.6Very high92.5Very high13 Ų1350 Ų505%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-107.3132.9163.8170.7167.760.8-143.6-8.1109W80 I81 Y82 R105 Y106 W110 L166 S168W80-R97 HydrophobicContact CE3-CG 4Å; I81-R97 CarbonylContact O-C 3.45Å; I81-R97 WeakPolarHBondContact O-CA 2.79Å; Y82-R97 HydrophobicContact CD2-CB 4.28Å; R97-R105 CarbonylContact O-C 3.55Å; R97-R105 WeakPolarHBondContact O-CA 3.31Å; R97-Y106 PolarHBondContact N-O 3.45Å; R97-Y106 PolarHBondContact O-N 3.4Å; R97-W110 HydrophobicContact CB-CH2 3.73Å; R97-W110 HydrophobicContact CB-CZ2 3.79Å; R97-L166 PolarHBondContact NH2-O 3.26Å; R97-S168 PolarHBondContact NH1-OG 3.06Å
98Q94.2Very high92.7Very high70 Ų7047.4 Ų47.433%0.32723%0.228SC..EExtended strand (participates in β ladder)trans-133.3147.8179.517917912.100110.1I81 R105I81-Q98 HydrophobicContact CG2-CB 3.84Å; I81-Q98 HydrophobicContact CG2-CG 4.46Å; I81-Q98 PolarHBondContact N-O 2.83Å; I81-Q98 PolarHBondContact O-N 3.36Å; Q98-R105 HydrophobicContact CB-CB 4.13Å; Q98-R105 HydrophobicContact CG-CB 4.23Å
99S89.2Confident92.9Very high8 Ų842.2 Ų42.26%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-80.4140.8168.7175.30000110.7R79 N101 T102 A104R79-S99 WeakPolarHBondContact O-CA 3.34Å; S99-N101 VanDerWaalsContact C-N 3.34Å; S99-N101 PolarHBondContact OG-N 3.21Å; S99-T102 WeakPolarHBondContact CB-O 3.34Å; S99-T102 WeakPolarHBondContact CB-OG1 3.16Å; S99-T102 PolarHBondContact OG-N 3.48Å; S99-T102 VanDerWaalsContact OG-N 3.13Å; S99-T102 PolarHBondContact OG-OG1 2.86Å; S99-A104 PolarHBondContact N-O 2.99Å
100H87.5Confident93.1Very high94 Ų9442 Ų4244%0.43520%0.2SC..SBendtrans-70.1-30.7170.5-71.7-60.7000112.9N76 G78 R79N76-H100 PolarHBondContact OD1-NE2 2.91Å; G78-H100 PolarHBondContact O-CD2 3.34Å; R79-H100 PolarHBondContact O-N 3.28Å
101N86.8Confident93.1Very high112 Ų11239.6 Ų39.660%0.59920%0.195SC*.SBendtrans-109.9-3.8-167.1-60.966.8000113.8S99S99-N101 VanDerWaalsContact C-N 3.34Å; S99-N101 PolarHBondContact OG-N 3.21Å
102T87.3Confident92.8Very high60 Ų6044.7 Ų44.737%0.36822%0.223SC..SBendtrans-145.8158.1-175.960.90000110.8S99 A104S99-T102 WeakPolarHBondContact CB-O 3.34Å; S99-T102 WeakPolarHBondContact CB-OG1 3.16Å; S99-T102 PolarHBondContact OG-N 3.48Å; S99-T102 VanDerWaalsContact OG-N 3.13Å; S99-T102 PolarHBondContact OG-OG1 2.86Å; T102-A104 PolarHBondContact O-N 2.78Å; T102-A104 WeakPolarHBondContact OG1-CB 3.37Å
103P85.3Confident92.4Very high71 Ų7144.5 Ų44.546%0.46122%0.221SC..SBendtrans-68.21.7176.929.3-37.3000114.3R105P103-R105 PolarHBondContact O-N 3.14Å
104A88Confident92Very high3 Ų339.1 Ų39.13%0.02521%0.205CC..  trans-65.7116.7-175.700000111S99 T102 T122 L166S99-A104 PolarHBondContact N-O 2.99Å; T102-A104 PolarHBondContact O-N 2.78Å; T102-A104 WeakPolarHBondContact OG1-CB 3.37Å; A104-T122 VanDerWaalsContact CA-O 3.29Å; A104-T122 WeakPolarHBondContact CA-O 3.42Å; A104-L166 HydrophobicContact CB-CD2 3.67Å; A104-L166 HydrophobicContact CB-CG 4.38Å
105R94.3Very high91.7Very high87 Ų8738.1 Ų38.133%0.32820%0.201SC..EExtended strand (participates in β ladder)trans-147144.517967.9-171.5-169.8-77.3-9.7113.1R97 Q98 P103 E107 T122 L166R97-R105 CarbonylContact O-C 3.55Å; R97-R105 WeakPolarHBondContact O-CA 3.31Å; Q98-R105 HydrophobicContact CB-CB 4.13Å; Q98-R105 HydrophobicContact CG-CB 4.23Å; P103-R105 PolarHBondContact O-N 3.14Å; R105-E107 WeakPolarHBondContact CD-OE1 3.39Å; R105-E107 IonicContact CZ-OE1 3.1Å; R105-E107 IonicContact NE-OE1 2.8Å; R105-E107 PolarHBondContact NE-OE1 3.18Å; R105-E107 IonicContact NH2-OE1 3.17Å; R105-T122 PolarHBondContact N-O 2.84Å; R105-T122 PolarHBondContact NH1-OG1 2.83Å; R105-T122 PolarHBondContact NH2-OG1 2.82Å; R105-T122 PolarHBondContact O-N 3.31Å; R105-L166 VanDerWaalsContact CA-CD1 3.46Å; R105-L166 VanDerWaalsContact O-CD1 3.29Å; R105-L166 WeakPolarHBondContact O-CD1 3.3Å
106Y96.1Very high91.6Very high0 Ų040.7 Ų40.70%022%0.215CC..EExtended strand (participates in β ladder)trans-115.6128.2174.7175.6-94000108.7V96 R97 T109 W110 Q115 V120 E121 W133V96-Y106 CarbonylContact C-O 3.56Å; V96-Y106 VanDerWaalsContact CA-O 3.24Å; V96-Y106 WeakPolarHBondContact CA-O 3.16Å; R97-Y106 PolarHBondContact N-O 3.45Å; R97-Y106 PolarHBondContact O-N 3.4Å; Y106-T109 PolarHBondContact OH-O 3Å; Y106-W110 AromaticContact CD1-CE2 3.75Å; Y106-W110 HydrophobicContact CD1-CH2 4.26Å; Y106-W110 AromaticContact CD1-CZ2 3.51Å; Y106-W110 HydrophobicContact CD1-CZ2 3.51Å; Y106-W110 AromaticContact CD1-NE1 3.92Å; Y106-W110 HydrophobicContact CE1-CD2 4.47Å; Y106-W110 AromaticContact CE1-CE2 3.81Å; Y106-W110 HydrophobicContact CE1-CZ2 4.06Å; Y106-W110 AromaticContact CE1-NE1 3.71Å; Y106-Q115 HydrophobicContact CD1-CG 3.67Å; Y106-Q115 HydrophobicContact CD2-CG 4.02Å; Y106-Q115 HydrophobicContact CE1-CB 4.03Å; Y106-Q115 HydrophobicContact CE1-CG 3.5Å; Y106-Q115 VanDerWaalsContact CE1-CG 3.5Å; Y106-Q115 HydrophobicContact CE2-CB 4.09Å; Y106-Q115 HydrophobicContact CE2-CG 3.87Å; Y106-Q115 HydrophobicContact CG-CG 3.92Å; Y106-V120 CarbonylContact C-O 3.56Å; Y106-V120 WeakPolarHBondContact CA-O 3.27Å; Y106-V120 WeakPolarHBondContact CD2-O 3.49Å; Y106-E121 HydrophobicContact CD2-CB 4.29Å; Y106-W133 HydrophobicContact CD2-CH2 4.46Å; Y106-W133 HydrophobicContact CD2-CZ2 4.03Å; Y106-W133 AromaticContact CE2-CD2 4Å; Y106-W133 HydrophobicContact CE2-CD2 4Å; Y106-W133 AromaticContact CE2-CE2 3.53Å; Y106-W133 HydrophobicContact CE2-CG 4.36Å; Y106-W133 HydrophobicContact CE2-CH2 4.41Å; Y106-W133 AromaticContact CE2-CZ2 3.77Å; Y106-W133 HydrophobicContact CE2-CZ2 3.77Å; Y106-W133 AromaticContact CE2-NE1 3.64Å
107E97.4Very high91.6Very high9 Ų941.4 Ų41.44%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-126.4115.2-178.8-55.2165.5-142.200107.6V96 R105 G119 V120 T384 R388V96-E107 HydrophobicContact CG1-CG 4.03Å; V96-E107 HydrophobicContact CG2-CB 4.26Å; V96-E107 HydrophobicContact CG2-CG 4.05Å; R105-E107 WeakPolarHBondContact CD-OE1 3.39Å; R105-E107 IonicContact CZ-OE1 3.1Å; R105-E107 IonicContact NE-OE1 2.8Å; R105-E107 PolarHBondContact NE-OE1 3.18Å; R105-E107 IonicContact NH2-OE1 3.17Å; E107-G119 CarbonylContact O-C 3.54Å; E107-G119 VanDerWaalsContact O-CA 3.28Å; E107-G119 WeakPolarHBondContact O-CA 3.19Å; E107-V120 PolarHBondContact N-O 2.98Å; E107-V120 PolarHBondContact O-N 3.25Å; E107-T384 HydrophobicContact CB-CG2 3.69Å; E107-T384 PolarHBondContact O-OG1 3.01Å; E107-T384 WeakPolarHBondContact OE2-CG2 3.31Å; E107-R388 IonicContact OE2-CZ 2.74Å; E107-R388 IonicContact OE2-NE 3.5Å; E107-R388 PolarHBondContact OE2-NE 2.84Å; E107-R388 IonicContact OE2-NH2 3.87Å; E107-R388 PolarHBondContact OE2-NH2 3.18Å
108G96.8Very high91.7Very high0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans164.6-155.5-176.200000115.5G95 Y118G95-G108 PolarHBondContact N-O 3.46Å; G95-G108 PolarHBondContact O-N 2.97Å; G108-Y118 WeakPolarHBondContact CA-O 3.49Å
109T96.9Very high91.8Very high15 Ų1539.6 Ų39.69%0.09222%0.215CC..EExtended strand (participates in β ladder)trans-94.7148.8-178.654.40000114R93 Y94 Y106 D116 Y118 R383R93-T109 HydrophobicContact CG-CG2 4.44Å; R93-T109 CarbonylContact O-C 3.49Å; R93-T109 WeakPolarHBondContact O-CA 3.43Å; R93-T109 WeakPolarHBondContact O-CB 3.49Å; Y94-T109 HydrophobicContact CD1-CG2 3.72Å; Y94-T109 HydrophobicContact CE1-CG2 3.46Å; Y94-T109 VanDerWaalsContact CE1-CG2 3.46Å; Y106-T109 PolarHBondContact OH-O 3Å; T109-D116 CarbonylContact C-O 3.55Å; T109-D116 VanDerWaalsContact C-O 3.3Å; T109-D116 VanDerWaalsContact CB-O 3.32Å; T109-D116 WeakPolarHBondContact CB-O 3.38Å; T109-D116 PolarHBondContact O-N 2.9Å; T109-D116 VanDerWaalsContact O-N 3.09Å; T109-D116 VanDerWaalsContact O-O 3.08Å; T109-D116 PolarHBondContact OG1-O 3.39Å; T109-Y118 PolarHBondContact N-O 2.7Å; T109-Y118 PolarHBondContact OG1-N 3.23Å; T109-Y118 PolarHBondContact OG1-O 2.81Å; T109-Y118 VanDerWaalsContact OG1-O 3.13Å; T109-R383 HydrophobicContact CG2-CB 4.32Å
110W94.4Very high92.2Very high10 Ų1039.9 Ų39.94%0.03822%0.217CC..EExtended strand (participates in β ladder)trans-130.1153.2-177.3-5673000111.4Y82 K91 R93 G95 R97 Y106 L114 Q115Y82-W110 HydrophobicContact CD2-CH2 4.21Å; Y82-W110 AromaticContact CD2-CZ2 3.8Å; Y82-W110 HydrophobicContact CD2-CZ2 3.8Å; Y82-W110 HydrophobicContact CE2-CD2 4.15Å; Y82-W110 AromaticContact CE2-CE2 3.56Å; Y82-W110 HydrophobicContact CE2-CH2 4.32Å; Y82-W110 AromaticContact CE2-CZ2 3.64Å; Y82-W110 HydrophobicContact CE2-CZ2 3.64Å; Y82-W110 AromaticContact CE2-NE1 3.72Å; K91-W110 HydrophobicContact CD-CE3 4.27Å; K91-W110 HydrophobicContact CD-CZ3 4.25Å; R93-W110 PolarHBondContact O-N 2.73Å; G95-W110 PolarHBondContact O-NE1 3.1Å; R97-W110 HydrophobicContact CB-CH2 3.73Å; R97-W110 HydrophobicContact CB-CZ2 3.79Å; Y106-W110 AromaticContact CD1-CE2 3.75Å; Y106-W110 HydrophobicContact CD1-CH2 4.26Å; Y106-W110 AromaticContact CD1-CZ2 3.51Å; Y106-W110 HydrophobicContact CD1-CZ2 3.51Å; Y106-W110 AromaticContact CD1-NE1 3.92Å; Y106-W110 HydrophobicContact CE1-CD2 4.47Å; Y106-W110 AromaticContact CE1-CE2 3.81Å; Y106-W110 HydrophobicContact CE1-CZ2 4.06Å; Y106-W110 AromaticContact CE1-NE1 3.71Å; W110-L114 CarbonylContact C-O 3.58Å; W110-L114 VanDerWaalsContact CA-O 3.24Å; W110-L114 WeakPolarHBondContact CA-O 3.16Å; W110-Q115 HydrophobicContact CD2-CG 4.49Å; W110-Q115 HydrophobicContact CE3-CG 4.2Å; W110-Q115 HydrophobicContact CH2-CG 4.22Å; W110-Q115 HydrophobicContact CZ3-CG 4.05Å
111S91.6Very high92.6Very high46 Ų4635.4 Ų35.432%0.32220%0.196SC..EExtended strand (participates in β ladder)trans-144.5130.7172.7-1730000108.5G113 L114 D116S111-G113 PolarHBondContact O-N 3.02Å; S111-L114 PolarHBondContact N-O 2.9Å; S111-L114 PolarHBondContact O-N 3.37Å; S111-D116 VanDerWaalsContact CB-CB 3.47Å; S111-D116 VanDerWaalsContact CB-OD2 3.29Å; S111-D116 WeakPolarHBondContact CB-OD2 3.31Å
112N86.4Confident92.8Very high128 Ų12830.5 Ų30.568%0.68417%0.17SC*.THydrogen-bonded Turntrans49.933.4178.6-58.7-22000115.1L114N112-L114 VanDerWaalsContact C-N 3.33Å; N112-L114 PolarHBondContact O-N 3.31Å
113G84.9Confident92.8Very high1 Ų128.3 Ų28.31%0.0116%0.155CC..THydrogen-bonded Turntrans81.91-178.100000115.9S111 S168S111-G113 PolarHBondContact O-N 3.02Å; G113-S168 PolarHBondContact O-OG 2.81Å
114L88.1Confident92.6Very high61 Ų6126 Ų2632%0.31914%0.144SC..EExtended strand (participates in β ladder)trans-109.8157.9176.2-54.9-178.7000110.9W110 S111 N112W110-L114 CarbonylContact C-O 3.58Å; W110-L114 VanDerWaalsContact CA-O 3.24Å; W110-L114 WeakPolarHBondContact CA-O 3.16Å; S111-L114 PolarHBondContact N-O 2.9Å; S111-L114 PolarHBondContact O-N 3.37Å; N112-L114 VanDerWaalsContact C-N 3.33Å; N112-L114 PolarHBondContact O-N 3.31Å
115Q90.7Very high92.2Very high1 Ų128 Ų281%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-73.4127.6172.1-57.2105.2-87.500110.7Y106 W110 W133 G136 L166Y106-Q115 HydrophobicContact CD1-CG 3.67Å; Y106-Q115 HydrophobicContact CD2-CG 4.02Å; Y106-Q115 HydrophobicContact CE1-CB 4.03Å; Y106-Q115 HydrophobicContact CE1-CG 3.5Å; Y106-Q115 VanDerWaalsContact CE1-CG 3.5Å; Y106-Q115 HydrophobicContact CE2-CB 4.09Å; Y106-Q115 HydrophobicContact CE2-CG 3.87Å; Y106-Q115 HydrophobicContact CG-CG 3.92Å; W110-Q115 HydrophobicContact CD2-CG 4.49Å; W110-Q115 HydrophobicContact CE3-CG 4.2Å; W110-Q115 HydrophobicContact CH2-CG 4.22Å; W110-Q115 HydrophobicContact CZ3-CG 4.05Å; Q115-W133 HydrophobicContact CB-CB 4.49Å; Q115-W133 HydrophobicContact CB-CD2 4.1Å; Q115-W133 HydrophobicContact CB-CE3 3.76Å; Q115-W133 HydrophobicContact CB-CG 4.42Å; Q115-W133 HydrophobicContact CB-CZ3 4.34Å; Q115-G136 WeakPolarHBondContact O-CA 2.94Å; Q115-G136 PolarHBondContact O-N 3.48Å; Q115-L166 PolarHBondContact NE2-O 3.38Å
116D94.4Very high91.6Very high55 Ų5525.7 Ų25.729%0.29416%0.158SC..EExtended strand (participates in β ladder)trans-155.8135.5-169.3-16155.6000110.1T109 S111 M134 G135T109-D116 CarbonylContact C-O 3.55Å; T109-D116 VanDerWaalsContact C-O 3.3Å; T109-D116 VanDerWaalsContact CB-O 3.32Å; T109-D116 WeakPolarHBondContact CB-O 3.38Å; T109-D116 PolarHBondContact O-N 2.9Å; T109-D116 VanDerWaalsContact O-N 3.09Å; T109-D116 VanDerWaalsContact O-O 3.08Å; T109-D116 PolarHBondContact OG1-O 3.39Å; S111-D116 VanDerWaalsContact CB-CB 3.47Å; S111-D116 VanDerWaalsContact CB-OD2 3.29Å; S111-D116 WeakPolarHBondContact CB-OD2 3.31Å; D116-M134 WeakPolarHBondContact OD1-CA 3.4Å; D116-G135 PolarHBondContact OD1-N 2.89Å
117G96.9Very high91.2Very high26 Ų2625.8 Ų25.827%0.26816%0.159SC..EExtended strand (participates in β ladder)trans95.2-102.1-174.400000113.2Q132 W133G117-Q132 WeakPolarHBondContact O-CA 3.45Å; G117-W133 PolarHBondContact N-O 2.83Å; G117-W133 PolarHBondContact O-N 3.14Å
118Y98.3Very high91.1Very high45 Ų4526.5 Ų26.518%0.17616%0.164CC..EExtended strand (participates in β ladder)trans-140.7141-173.8-70.5-94.7000112.3G108 T109 G131 Q132 K376 I379 A380G108-Y118 WeakPolarHBondContact CA-O 3.49Å; T109-Y118 PolarHBondContact N-O 2.7Å; T109-Y118 PolarHBondContact OG1-N 3.23Å; T109-Y118 PolarHBondContact OG1-O 2.81Å; T109-Y118 VanDerWaalsContact OG1-O 3.13Å; Y118-G131 WeakPolarHBondContact CA-O 3.32Å; Y118-Q132 HydrophobicContact CD1-CG 3.83Å; Y118-Q132 HydrophobicContact CE1-CG 3.39Å; Y118-K376 HydrophobicContact CE1-CB 4.17Å; Y118-K376 HydrophobicContact CE1-CD 4Å; Y118-K376 HydrophobicContact CE1-CG 4.36Å; Y118-K376 PolarHBondContact OH-NZ 3.2Å; Y118-I379 HydrophobicContact CD1-CB 4.02Å; Y118-I379 HydrophobicContact CD1-CG2 3.65Å; Y118-I379 HydrophobicContact CD2-CG2 3.99Å; Y118-I379 HydrophobicContact CE1-CB 3.88Å; Y118-I379 HydrophobicContact CE1-CD1 4.37Å; Y118-I379 HydrophobicContact CE1-CG2 3.63Å; Y118-I379 HydrophobicContact CE2-CG2 3.99Å; Y118-I379 HydrophobicContact CG-CG2 3.83Å; Y118-A380 HydrophobicContact CD1-CB 4.48Å
119G96.9Very high91.1Very high0 Ų026.5 Ų26.50%016%0.164CC..EExtended strand (participates in β ladder)trans177.4173.3175.800000114.6E107 G131 W133E107-G119 CarbonylContact O-C 3.54Å; E107-G119 VanDerWaalsContact O-CA 3.28Å; E107-G119 WeakPolarHBondContact O-CA 3.19Å; G119-G131 PolarHBondContact N-O 3.03Å; G119-G131 PolarHBondContact O-N 2.84Å; G119-W133 PolarHBondContact O-NE1 2.94Å; G119-W133 VanDerWaalsContact O-NE1 3.09Å
120V97.4Very high91.2Very high14 Ų1428.5 Ų28.59%0.08517%0.172CC..EExtended strand (participates in β ladder)trans-110.5128.1179.2173.40000110Y106 E107 Y129 Q130 T384Y106-V120 CarbonylContact C-O 3.56Å; Y106-V120 WeakPolarHBondContact CA-O 3.27Å; Y106-V120 WeakPolarHBondContact CD2-O 3.49Å; E107-V120 PolarHBondContact N-O 2.98Å; E107-V120 PolarHBondContact O-N 3.25Å; V120-Y129 CarbonylContact C-O 3.57Å; V120-Y129 WeakPolarHBondContact CA-O 3.18Å; V120-Q130 HydrophobicContact CG1-CG 4.13Å; V120-Q130 HydrophobicContact CG2-CB 4.11Å; V120-Q130 HydrophobicContact CG2-CG 3.92Å; V120-T384 HydrophobicContact CB-CG2 4.42Å; V120-T384 HydrophobicContact CG2-CG2 4.3Å; V120-T384 WeakPolarHBondContact CG2-OG1 3.32Å
121E94.9Very high91.3Very high0 Ų028 Ų280%017%0.17CC..EExtended strand (participates in β ladder)trans-106.3123.8167.5170.9176.4-141.200108.4Y106 Y123 T128 Y129 W133 R138 S165 L166Y106-E121 HydrophobicContact CD2-CB 4.29Å; E121-Y123 HydrophobicContact CG-CD1 3.97Å; E121-Y123 HydrophobicContact CG-CE1 3.86Å; E121-Y123 WeakPolarHBondContact OE1-CE1 3.41Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.44Å; E121-Y123 PolarHBondContact OE2-OH 3.1Å; E121-T128 CarbonylContact O-C 3.52Å; E121-T128 VanDerWaalsContact O-CA 3.27Å; E121-T128 WeakPolarHBondContact O-CA 3.23Å; E121-Y129 PolarHBondContact N-O 2.83Å; E121-Y129 PolarHBondContact O-N 3.41Å; E121-W133 HydrophobicContact CB-CH2 4.1Å; E121-W133 HydrophobicContact CB-CZ2 3.72Å; E121-W133 WeakPolarHBondContact OE2-CH2 3.45Å; E121-R138 IonicContact OE1-NH1 3.75Å; E121-R138 IonicContact OE2-CZ 2.73Å; E121-R138 IonicContact OE2-NH1 3.67Å; E121-R138 PolarHBondContact OE2-NH1 2.84Å; E121-S165 VanDerWaalsContact OE1-CA 3.23Å; E121-S165 WeakPolarHBondContact OE1-CA 3.15Å; E121-S165 WeakPolarHBondContact OE1-CB 3.31Å; E121-S165 PolarHBondContact OE1-OG 3.06Å; E121-L166 HydrophobicContact CG-CD1 4.1Å; E121-L166 HydrophobicContact CG-CG 4.41Å; E121-L166 PolarHBondContact OE1-N 3.49Å
122T92.8Very high91.6Very high8 Ų827.8 Ų27.85%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-96.8125158.7-50.20000107.6A104 R105 G127 T128A104-T122 VanDerWaalsContact CA-O 3.29Å; A104-T122 WeakPolarHBondContact CA-O 3.42Å; R105-T122 PolarHBondContact N-O 2.84Å; R105-T122 PolarHBondContact NH1-OG1 2.83Å; R105-T122 PolarHBondContact NH2-OG1 2.82Å; R105-T122 PolarHBondContact O-N 3.31Å; T122-G127 CarbonylContact C-O 3.54Å; T122-G127 WeakPolarHBondContact CA-O 3.46Å; T122-T128 HydrophobicContact CG2-CG2 4.47Å
123Y86.6Confident92Very high15 Ų1522.1 Ų22.16%0.05913%0.133CC..  trans-76.8164.5178-59.5-70.9000111.3E121 D125 G126 G127 R138 A164E121-Y123 HydrophobicContact CG-CD1 3.97Å; E121-Y123 HydrophobicContact CG-CE1 3.86Å; E121-Y123 WeakPolarHBondContact OE1-CE1 3.41Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.44Å; E121-Y123 PolarHBondContact OE2-OH 3.1Å; Y123-D125 WeakPolarHBondContact CB-OD1 3.26Å; Y123-D125 PolarHBondContact O-N 2.87Å; Y123-G126 PolarHBondContact O-N 3.05Å; Y123-G127 VanDerWaalsContact CD2-C 3.46Å; Y123-G127 WeakPolarHBondContact CD2-O 3.22Å; Y123-G127 PolarHBondContact N-O 2.77Å; Y123-R138 PolarHBondContact OH-NE 3.04Å; Y123-R138 PolarHBondContact OH-NH1 3.43Å; Y123-A164 WeakPolarHBondContact CA-O 3.23Å; Y123-A164 WeakPolarHBondContact CD1-O 3.37Å
124G80.9Confident92.5Very high23 Ų2327.1 Ų27.124%0.23716%0.157CC..THydrogen-bonded Turntrans-64.1-17.2178.600000115.8A164G124-A164 PolarHBondContact N-O 3.34Å
125D79.4Confident92.6Very high44 Ų4426.2 Ų26.224%0.23516%0.163CC..THydrogen-bonded Turntrans-87.2-15.517360.78.2000113.5Y123 G127 V147 T153Y123-D125 WeakPolarHBondContact CB-OD1 3.26Å; Y123-D125 PolarHBondContact O-N 2.87Å; D125-G127 PolarHBondContact OD1-N 2.72Å; D125-V147 HydrophobicContact CB-CG1 4.39Å; D125-V147 HydrophobicContact CB-CG2 4.36Å; D125-V147 WeakPolarHBondContact O-CG1 3.29Å; D125-T153 HydrophobicContact CB-CG2 3.73Å
126G82.2Confident92.5Very high38 Ų3826.7 Ų26.739%0.39217%0.168SC..SBendtrans106.5-4.3-175.600000114.8Y123Y123-G126 PolarHBondContact O-N 3.05Å
127G88.5Confident92.3Very high3 Ų327.6 Ų27.63%0.03117%0.171CC..  trans-67.9165.9174.800000111.4T122 Y123 D125T122-G127 CarbonylContact C-O 3.54Å; T122-G127 WeakPolarHBondContact CA-O 3.46Å; Y123-G127 VanDerWaalsContact CD2-C 3.46Å; Y123-G127 WeakPolarHBondContact CD2-O 3.22Å; Y123-G127 PolarHBondContact N-O 2.77Å; D125-G127 PolarHBondContact OD1-N 2.72Å
128T94.5Very high92.2Very high24 Ų2426.6 Ų26.615%0.14716%0.16CC..EExtended strand (participates in β ladder)trans-130.7152.2179.269.30000114.1E121 T122 R144 Q145E121-T128 CarbonylContact O-C 3.52Å; E121-T128 VanDerWaalsContact O-CA 3.27Å; E121-T128 WeakPolarHBondContact O-CA 3.23Å; T122-T128 HydrophobicContact CG2-CG2 4.47Å; T128-R144 CarbonylContact O-C 3.59Å; T128-R144 VanDerWaalsContact O-CA 3.3Å; T128-R144 WeakPolarHBondContact O-CA 3.29Å; T128-Q145 PolarHBondContact N-O 3.25Å; T128-Q145 PolarHBondContact O-N 2.86Å
129Y96.6Very high92Very high0 Ų026.7 Ų26.70%016%0.162CC..EExtended strand (participates in β ladder)trans-125.6138.5157.5173.6-100.3000110V120 E121 Q132 W133 R138 V143 R144 W288V120-Y129 CarbonylContact C-O 3.57Å; V120-Y129 WeakPolarHBondContact CA-O 3.18Å; E121-Y129 PolarHBondContact N-O 2.83Å; E121-Y129 PolarHBondContact O-N 3.41Å; Y129-Q132 PolarHBondContact OH-N 2.91Å; Y129-Q132 PolarHBondContact OH-O 2.81Å; Y129-Q132 VanDerWaalsContact OH-O 3.07Å; Y129-W133 AromaticContact CD1-CE2 3.85Å; Y129-W133 AromaticContact CD1-CZ2 3.66Å; Y129-W133 HydrophobicContact CD1-CZ2 3.66Å; Y129-W133 AromaticContact CD1-NE1 3.8Å; Y129-W133 AromaticContact CE1-CE2 3.86Å; Y129-W133 HydrophobicContact CE1-CZ2 4.11Å; Y129-W133 AromaticContact CE1-NE1 3.61Å; Y129-R138 HydrophobicContact CD1-CB 4.41Å; Y129-R138 HydrophobicContact CD1-CG 3.57Å; Y129-R138 HydrophobicContact CD2-CG 4.42Å; Y129-R138 HydrophobicContact CE1-CB 3.93Å; Y129-R138 HydrophobicContact CE1-CG 3.54Å; Y129-R138 HydrophobicContact CE2-CB 4.36Å; Y129-R138 HydrophobicContact CE2-CG 4.4Å; Y129-R138 HydrophobicContact CG-CG 4.01Å; Y129-V143 CarbonylContact C-O 3.52Å; Y129-V143 WeakPolarHBondContact CA-O 3.44Å; Y129-V143 VanDerWaalsContact CD2-O 3.29Å; Y129-V143 WeakPolarHBondContact CD2-O 3.33Å; Y129-R144 HydrophobicContact CD2-CB 4.19Å; Y129-W288 HydrophobicContact CD2-CZ2 4.02Å; Y129-W288 AromaticContact CE2-CD1 3.95Å; Y129-W288 AromaticContact CE2-CD2 3.98Å; Y129-W288 HydrophobicContact CE2-CD2 3.98Å; Y129-W288 AromaticContact CE2-CE2 3.57Å; Y129-W288 HydrophobicContact CE2-CG 4.2Å; Y129-W288 AromaticContact CE2-CZ2 3.96Å; Y129-W288 HydrophobicContact CE2-CZ2 3.96Å; Y129-W288 AromaticContact CE2-NE1 3.56Å
130Q98.1Very high92.1Very high56 Ų5627.6 Ų27.626%0.26217%0.171SC..EExtended strand (participates in β ladder)trans-136.4120.1-178.1-49.9-172.437.100108.2V120 G142 V143 V377V120-Q130 HydrophobicContact CG1-CG 4.13Å; V120-Q130 HydrophobicContact CG2-CB 4.11Å; V120-Q130 HydrophobicContact CG2-CG 3.92Å; Q130-G142 CarbonylContact O-C 3.52Å; Q130-G142 VanDerWaalsContact O-CA 3.29Å; Q130-G142 WeakPolarHBondContact O-CA 3.46Å; Q130-V143 PolarHBondContact N-O 2.84Å; Q130-V143 PolarHBondContact O-N 2.94Å; Q130-V377 HydrophobicContact CB-CB 4.47Å; Q130-V377 HydrophobicContact CB-CG1 4.03Å; Q130-V377 HydrophobicContact CB-CG2 3.83Å; Q130-V377 WeakPolarHBondContact O-CG2 3.43Å
131G97.4Very high92.1Very high0 Ų029.9 Ų29.90%018%0.178CC..EExtended strand (participates in β ladder)trans153.5-142.5-179.800000114.3Y118 G119Y118-G131 WeakPolarHBondContact CA-O 3.32Å; G119-G131 PolarHBondContact N-O 3.03Å; G119-G131 PolarHBondContact O-N 2.84Å
132Q98.1Very high92.3Very high42 Ų4229.9 Ų29.920%0.19618%0.178CC..EExtended strand (participates in β ladder)trans-90.7147-171.6-70.3-174.2-92.200114.2G117 Y118 Y129 H139 Y141 K376G117-Q132 WeakPolarHBondContact O-CA 3.45Å; Y118-Q132 HydrophobicContact CD1-CG 3.83Å; Y118-Q132 HydrophobicContact CE1-CG 3.39Å; Y129-Q132 PolarHBondContact OH-N 2.91Å; Y129-Q132 PolarHBondContact OH-O 2.81Å; Y129-Q132 VanDerWaalsContact OH-O 3.07Å; Q132-H139 CarbonylContact C-O 3.5Å; Q132-H139 WeakPolarHBondContact CB-O 3.3Å; Q132-H139 PolarHBondContact O-N 2.79Å; Q132-H139 VanDerWaalsContact O-O 3.09Å; Q132-Y141 PolarHBondContact N-O 2.87Å; Q132-Y141 VanDerWaalsContact N-O 3.11Å; Q132-K376 HydrophobicContact CG-CB 4.47Å; Q132-K376 HydrophobicContact CG-CG 4.37Å
133W95.6Very high92.5Very high9 Ų930.2 Ų30.23%0.03418%0.18CC..EExtended strand (participates in β ladder)trans-132.1144.9-175.8-7183.6000110.8Y106 Q115 G117 G119 E121 Y129 M137 R138Y106-W133 HydrophobicContact CD2-CH2 4.46Å; Y106-W133 HydrophobicContact CD2-CZ2 4.03Å; Y106-W133 AromaticContact CE2-CD2 4Å; Y106-W133 HydrophobicContact CE2-CD2 4Å; Y106-W133 AromaticContact CE2-CE2 3.53Å; Y106-W133 HydrophobicContact CE2-CG 4.36Å; Y106-W133 HydrophobicContact CE2-CH2 4.41Å; Y106-W133 AromaticContact CE2-CZ2 3.77Å; Y106-W133 HydrophobicContact CE2-CZ2 3.77Å; Y106-W133 AromaticContact CE2-NE1 3.64Å; Q115-W133 HydrophobicContact CB-CB 4.49Å; Q115-W133 HydrophobicContact CB-CD2 4.1Å; Q115-W133 HydrophobicContact CB-CE3 3.76Å; Q115-W133 HydrophobicContact CB-CG 4.42Å; Q115-W133 HydrophobicContact CB-CZ3 4.34Å; G117-W133 PolarHBondContact N-O 2.83Å; G117-W133 PolarHBondContact O-N 3.14Å; G119-W133 PolarHBondContact O-NE1 2.94Å; G119-W133 VanDerWaalsContact O-NE1 3.09Å; E121-W133 HydrophobicContact CB-CH2 4.1Å; E121-W133 HydrophobicContact CB-CZ2 3.72Å; E121-W133 WeakPolarHBondContact OE2-CH2 3.45Å; Y129-W133 AromaticContact CD1-CE2 3.85Å; Y129-W133 AromaticContact CD1-CZ2 3.66Å; Y129-W133 HydrophobicContact CD1-CZ2 3.66Å; Y129-W133 AromaticContact CD1-NE1 3.8Å; Y129-W133 AromaticContact CE1-CE2 3.86Å; Y129-W133 HydrophobicContact CE1-CZ2 4.11Å; Y129-W133 AromaticContact CE1-NE1 3.61Å; W133-M137 WeakPolarHBondContact CA-O 3.34Å; W133-R138 HydrophobicContact CD2-CG 4.47Å; W133-R138 HydrophobicContact CE3-CG 4.29Å; W133-R138 HydrophobicContact CH2-CG 3.63Å; W133-R138 HydrophobicContact CZ2-CG 3.81Å; W133-R138 HydrophobicContact CZ3-CG 3.89Å
134M94.6Very high93Very high105 Ų10530.5 Ų30.552%0.51718%0.181SC..EExtended strand (participates in β ladder)trans-145.4121.6173.3-172.4178.5-70.300109.8D116 G136 M137 H139D116-M134 WeakPolarHBondContact OD1-CA 3.4Å; M134-G136 VanDerWaalsContact C-N 3.27Å; M134-G136 PolarHBondContact O-N 2.81Å; M134-M137 PolarHBondContact N-O 3.3Å; M134-M137 PolarHBondContact O-N 3.19Å; M134-H139 HydrophobicContact CB-CB 3.68Å
135G90Very high93.6Very high43 Ų4333.8 Ų33.844%0.44319%0.19SC..THydrogen-bonded Turntrans55.335.3173.700000115.1D116D116-G135 PolarHBondContact OD1-N 2.89Å
136G89.4Confident94Very high10 Ų1032.2 Ų32.210%0.10318%0.183CC..THydrogen-bonded Turntrans82.95.3-178.700000115.6Q115 M134Q115-G136 WeakPolarHBondContact O-CA 2.94Å; Q115-G136 PolarHBondContact O-N 3.48Å; M134-G136 VanDerWaalsContact C-N 3.27Å; M134-G136 PolarHBondContact O-N 2.81Å
137M89.8Confident94.2Very high74 Ų7431.1 Ų31.137%0.36517%0.169SC..EExtended strand (participates in β ladder)trans-118.5152.5175.9-63.4-173.6-179.800112W133 M134 H139 N290 D291W133-M137 WeakPolarHBondContact CA-O 3.34Å; M134-M137 PolarHBondContact N-O 3.3Å; M134-M137 PolarHBondContact O-N 3.19Å; M137-H139 PolarHBondContact O-N 3.39Å; M137-N290 HydrophobicContact SD-CB 3.73Å; M137-D291 WeakPolarHBondContact CA-OD1 3.32Å
138R94.2Very high94Very high5 Ų532.8 Ų32.82%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-69.2125169.9-59.5177.1-70.8-79.8-13.6109.4E121 Y123 Y129 W133 S165 W288 N290 D291E121-R138 IonicContact OE1-NH1 3.75Å; E121-R138 IonicContact OE2-CZ 2.73Å; E121-R138 IonicContact OE2-NH1 3.67Å; E121-R138 PolarHBondContact OE2-NH1 2.84Å; Y123-R138 PolarHBondContact OH-NE 3.04Å; Y123-R138 PolarHBondContact OH-NH1 3.43Å; Y129-R138 HydrophobicContact CD1-CB 4.41Å; Y129-R138 HydrophobicContact CD1-CG 3.57Å; Y129-R138 HydrophobicContact CD2-CG 4.42Å; Y129-R138 HydrophobicContact CE1-CB 3.93Å; Y129-R138 HydrophobicContact CE1-CG 3.54Å; Y129-R138 HydrophobicContact CE2-CB 4.36Å; Y129-R138 HydrophobicContact CE2-CG 4.4Å; Y129-R138 HydrophobicContact CG-CG 4.01Å; W133-R138 HydrophobicContact CD2-CG 4.47Å; W133-R138 HydrophobicContact CE3-CG 4.29Å; W133-R138 HydrophobicContact CH2-CG 3.63Å; W133-R138 HydrophobicContact CZ2-CG 3.81Å; W133-R138 HydrophobicContact CZ3-CG 3.89Å; R138-S165 PolarHBondContact NH1-OG 3.13Å; R138-W288 HydrophobicContact CB-CD2 4.5Å; R138-W288 HydrophobicContact CB-CE3 4.19Å; R138-N290 PolarHBondContact O-N 2.93Å; R138-D291 IonicContact CZ-OD1 2.7Å; R138-D291 PolarHBondContact N-OD1 2.88Å; R138-D291 IonicContact NE-OD1 3.65Å; R138-D291 IonicContact NH1-OD1 3.48Å; R138-D291 IonicContact NH2-OD1 2.7Å; R138-D291 PolarHBondContact NH2-OD1 3.35Å; R138-D291 PolarHBondContact O-N 3.14Å
139H94.6Very high93.2Very high48 Ų4832.7 Ų32.722%0.22218%0.176CC..EExtended strand (participates in β ladder)trans-156.6143-170.1-162.4118.8000110.4Q132 M134 M137 W288 N290Q132-H139 CarbonylContact C-O 3.5Å; Q132-H139 WeakPolarHBondContact CB-O 3.3Å; Q132-H139 PolarHBondContact O-N 2.79Å; Q132-H139 VanDerWaalsContact O-O 3.09Å; M134-H139 HydrophobicContact CB-CB 3.68Å; M137-H139 PolarHBondContact O-N 3.39Å; H139-W288 CarbonylContact C-O 3.55Å; H139-W288 WeakPolarHBondContact CA-O 3.43Å; H139-N290 PolarHBondContact ND1-OD1 3.13Å; H139-N290 VanDerWaalsContact ND1-OD1 3.17Å
140G97.9Very high92Very high18 Ų1835.1 Ų35.119%0.18620%0.201CC..EExtended strand (participates in β ladder)trans86.5-141.7-175.500000110.7E287 W288G140-E287 CarbonylContact O-C 3.52Å; G140-E287 WeakPolarHBondContact O-CA 3.39Å; G140-W288 PolarHBondContact N-O 3.03Å; G140-W288 WeakPolarHBondContact O-CB 3.48Å; G140-W288 PolarHBondContact O-N 3.2Å
141Y98.6Very high90.5Very high62 Ų6238.8 Ų38.824%0.24322%0.22CC..EExtended strand (participates in β ladder)trans-100141.9-178.7-61.8-96.1000112.1Q132 G286 E287 A369 I372Q132-Y141 PolarHBondContact N-O 2.87Å; Q132-Y141 VanDerWaalsContact N-O 3.11Å; Y141-G286 WeakPolarHBondContact CA-O 3.38Å; Y141-E287 HydrophobicContact CD1-CG 3.84Å; Y141-E287 HydrophobicContact CE1-CG 3.35Å; Y141-A369 HydrophobicContact CD1-CB 4.48Å; Y141-A369 HydrophobicContact CE1-CB 4.02Å; Y141-I372 HydrophobicContact CD1-CB 3.91Å; Y141-I372 HydrophobicContact CD1-CG2 3.65Å; Y141-I372 HydrophobicContact CD2-CG2 3.68Å; Y141-I372 HydrophobicContact CE1-CB 4.09Å; Y141-I372 HydrophobicContact CE1-CD1 4.15Å; Y141-I372 HydrophobicContact CE1-CG2 3.94Å; Y141-I372 HydrophobicContact CE2-CG2 3.99Å; Y141-I372 HydrophobicContact CG-CB 4.27Å; Y141-I372 HydrophobicContact CG-CG2 3.51Å
142G97.8Very high88.9Confident0 Ų039.4 Ų39.40%023%0.225CC..EExtended strand (participates in β ladder)trans-176.5167.9174.800000114Q130 G286 W288Q130-G142 CarbonylContact O-C 3.52Å; Q130-G142 VanDerWaalsContact O-CA 3.29Å; Q130-G142 WeakPolarHBondContact O-CA 3.46Å; G142-G286 PolarHBondContact N-O 2.9Å; G142-G286 VanDerWaalsContact N-O 3.1Å; G142-G286 PolarHBondContact O-N 3.05Å; G142-W288 PolarHBondContact O-NE1 2.96Å
143V98.2Very high86.7Confident16 Ų1640 Ų4010%0.09723%0.232CC..EExtended strand (participates in β ladder)trans-111.3134-178.41800000109.7Y129 Q130 T283 Y284 M285 A373 V377Y129-V143 CarbonylContact C-O 3.52Å; Y129-V143 WeakPolarHBondContact CA-O 3.44Å; Y129-V143 VanDerWaalsContact CD2-O 3.29Å; Y129-V143 WeakPolarHBondContact CD2-O 3.33Å; Q130-V143 PolarHBondContact N-O 2.84Å; Q130-V143 PolarHBondContact O-N 2.94Å; V143-T283 HydrophobicContact CG1-CG2 3.89Å; V143-Y284 CarbonylContact C-O 3.42Å; V143-Y284 VanDerWaalsContact CA-O 3.22Å; V143-Y284 WeakPolarHBondContact CA-O 3.32Å; V143-M285 HydrophobicContact CB-CG 4.49Å; V143-M285 HydrophobicContact CG1-CE 4.34Å; V143-M285 HydrophobicContact CG1-CG 4.02Å; V143-M285 HydrophobicContact CG2-CB 4.18Å; V143-M285 HydrophobicContact CG2-CG 3.81Å; V143-M285 HydrophobicContact CG2-SD 4.43Å; V143-A373 HydrophobicContact CG2-CB 4.09Å; V143-V377 HydrophobicContact CB-CG2 3.79Å; V143-V377 HydrophobicContact CG2-CG2 3.54Å
144R95.8Very high84.3Confident20 Ų2043.3 Ų43.38%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-118.9131.6171.3179-85.6-176.3148.29.1109.2T128 Y129 G192 F193 T283 Y284 W288T128-R144 CarbonylContact O-C 3.59Å; T128-R144 VanDerWaalsContact O-CA 3.3Å; T128-R144 WeakPolarHBondContact O-CA 3.29Å; Y129-R144 HydrophobicContact CD2-CB 4.19Å; R144-G192 PolarHBondContact NH2-O 3.32Å; R144-F193 PolarHBondContact NH1-O 3.15Å; R144-T283 CarbonylContact O-C 3.55Å; R144-T283 VanDerWaalsContact O-CA 3.31Å; R144-T283 WeakPolarHBondContact O-CA 3.22Å; R144-Y284 PolarHBondContact N-O 3.14Å; R144-Y284 PolarHBondContact O-N 3.34Å; R144-W288 HydrophobicContact CB-CH2 3.8Å; R144-W288 HydrophobicContact CB-CZ2 3.53Å; R144-W288 HydrophobicContact CG-CH2 4.23Å; R144-W288 HydrophobicContact CG-CZ2 4.45Å
145Q93.9Very high81.8Confident92 Ų9239.9 Ų39.943%0.4324%0.236SC..EExtended strand (participates in β ladder)trans-115129.1171.7-172.9178.44.800109.2T128T128-Q145 PolarHBondContact N-O 3.25Å; T128-Q145 PolarHBondContact O-N 2.86Å
146S87.6Confident79Confident12 Ų1245.7 Ų45.78%0.08425%0.251CS..PPolyproline II helixtrans-79.6159.6172.181.60000111.8E282S146-E282 PolarHBondContact N-O 3.26Å; S146-E282 PolarHBondContact OG-N 2.93Å
147V86.8Confident76.1Confident14 Ų1447.6 Ų47.69%0.08526%0.263CS..PPolyproline II helixtrans-68.4168.1155-63.20000111D125 M151 A152D125-V147 HydrophobicContact CB-CG1 4.39Å; D125-V147 HydrophobicContact CB-CG2 4.36Å; D125-V147 WeakPolarHBondContact O-CG1 3.29Å; V147-M151 HydrophobicContact CB-CB 4.4Å; V147-M151 HydrophobicContact CG2-CB 4.3Å; V147-A152 HydrophobicContact CG2-CB 3.95Å
148P85.1Confident73.4Confident39 Ų3948.8 Ų48.825%0.25328%0.276SS..PPolyproline II helixtrans-51.7141.4169.7-30.738.5000112.9G150 M151 A152 A278 T280 T281P148-G150 PolarHBondContact O-N 2.85Å; P148-G150 VanDerWaalsContact O-N 3.14Å; P148-M151 HydrophobicContact CB-CB 4.46Å; P148-M151 HydrophobicContact CB-CG 4.22Å; P148-M151 HydrophobicContact CB-SD 4.35Å; P148-M151 HydrophobicContact CG-SD 4.1Å; P148-M151 CarbonylContact O-C 3.53Å; P148-M151 WeakPolarHBondContact O-CA 3.48Å; P148-M151 PolarHBondContact O-N 2.88Å; P148-A152 PolarHBondContact O-N 2.98Å; P148-A278 CarbonylContact C-O 3.55Å; P148-A278 VanDerWaalsContact CB-O 3.26Å; P148-A278 WeakPolarHBondContact CB-O 3.41Å; P148-T280 CarbonylContact C-O 3.48Å; P148-T280 VanDerWaalsContact CA-O 3.23Å; P148-T280 WeakPolarHBondContact CA-O 3.33Å; P148-T281 HydrophobicContact CG-CG2 4.09Å
149Y76.3Confident70.4Confident22 Ų2256.1 Ų56.19%0.08632%0.315CS..THydrogen-bonded Turntrans-58.7-28.3-174.6-97.3-88.4000113.9R190 V194 L195 V276 A278 T280 E282Y149-R190 PolarHBondContact O-NH2 2.96Å; Y149-V194 HydrophobicContact CD1-CG2 4.47Å; Y149-V194 HydrophobicContact CE1-CB 4.2Å; Y149-V194 HydrophobicContact CE1-CG1 3.76Å; Y149-V194 HydrophobicContact CE1-CG2 3.72Å; Y149-L195 PolarHBondContact OH-N 2.82Å; Y149-V276 HydrophobicContact CD1-CG1 3.95Å; Y149-V276 HydrophobicContact CD2-CG1 3.41Å; Y149-V276 VanDerWaalsContact CD2-CG1 3.41Å; Y149-V276 HydrophobicContact CE1-CG1 4.22Å; Y149-V276 HydrophobicContact CE2-CG1 3.75Å; Y149-V276 HydrophobicContact CG-CB 4.45Å; Y149-V276 HydrophobicContact CG-CG1 3.55Å; Y149-A278 PolarHBondContact N-O 3.2Å; Y149-T280 HydrophobicContact CD2-CG2 4.05Å; Y149-T280 VanDerWaalsContact CD2-O 3.27Å; Y149-T280 WeakPolarHBondContact CD2-O 3.44Å; Y149-T280 HydrophobicContact CE2-CG2 4.35Å; Y149-T280 PolarHBondContact N-O 2.98Å; Y149-E282 HydrophobicContact CE2-CB 4.25Å; Y149-E282 PolarHBondContact OH-OE2 2.97Å
150G71.4Confident67.7Low51 Ų5160.2 Ų60.253%0.52633%0.328SS..THydrogen-bonded Turntrans-73.2-26.8171.700000114.1P148 A278P148-G150 PolarHBondContact O-N 2.85Å; P148-G150 VanDerWaalsContact O-N 3.14Å; G150-A278 PolarHBondContact N-O 3.08Å
151M68.1Low64.7Low133 Ų13363.2 Ų63.266%0.65534%0.343SS*.THydrogen-bonded Turntrans-92.7-14.6177.2-57.2-176.978.700112.8V147 P148 T153V147-M151 HydrophobicContact CB-CB 4.4Å; V147-M151 HydrophobicContact CG2-CB 4.3Å; P148-M151 HydrophobicContact CB-CB 4.46Å; P148-M151 HydrophobicContact CB-CG 4.22Å; P148-M151 HydrophobicContact CB-SD 4.35Å; P148-M151 HydrophobicContact CG-SD 4.1Å; P148-M151 CarbonylContact O-C 3.53Å; P148-M151 WeakPolarHBondContact O-CA 3.48Å; P148-M151 PolarHBondContact O-N 2.88Å; M151-T153 PolarHBondContact O-N 2.56Å; M151-T153 VanDerWaalsContact O-N 3.14Å
152A62.7Low61.7Low13 Ų1361.8 Ų61.811%0.10734%0.343CS..SBendtrans-63.1112.3-178.300000111.8V147 P148 V154 R190V147-A152 HydrophobicContact CG2-CB 3.95Å; P148-A152 PolarHBondContact O-N 2.98Å; A152-V154 PolarHBondContact O-N 3.32Å; A152-R190 PolarHBondContact O-NE 3.23Å; A152-R190 PolarHBondContact O-NH2 3.43Å
153T53.4Low58.7Low54 Ų5467 Ų6733%0.33137%0.368SS..  trans-53.1128.8-169.147.40000113.8D125 M151 I155 G191D125-T153 HydrophobicContact CB-CG2 3.73Å; M151-T153 PolarHBondContact O-N 2.56Å; M151-T153 VanDerWaalsContact O-N 3.14Å; T153-I155 VanDerWaalsContact C-N 3.32Å; T153-I155 PolarHBondContact O-N 3.33Å; T153-G191 PolarHBondContact O-N 3.45Å
154V43.4Very low55.6Low79 Ų7967.1 Ų67.148%0.47937%0.371SS..  trans-81.679-179.8-161.20000110.3A152 H156 R190A152-V154 PolarHBondContact O-N 3.32Å; V154-H156 VanDerWaalsContact CG1-NE2 3.28Å; V154-H156 WeakPolarHBondContact CG1-NE2 3.14Å; V154-H156 PolarHBondContact O-CD2 3.39Å; V154-H156 VanDerWaalsContact O-CD2 3.26Å; V154-H156 PolarHBondContact O-N 2.96Å; V154-R190 HydrophobicContact CG1-CG 4.33Å
155I42.5Very low53Low32 Ų3266.7 Ų66.716%0.16437%0.371CS..  trans-68.995.7176.9-54.7-170.7000109.6T153 S157 A164T153-I155 VanDerWaalsContact C-N 3.32Å; T153-I155 PolarHBondContact O-N 3.33Å; I155-S157 WeakPolarHBondContact CG2-O 3.49Å; I155-S157 PolarHBondContact O-N 3.17Å; I155-A164 HydrophobicContact CD1-CB 4.37Å
156H31.2Very low50.5Low166 Ų16662.4 Ų62.477%0.76935%0.351SS*.  trans-7612.6178.5-82.3-83.6000114.8V154V154-H156 VanDerWaalsContact CG1-NE2 3.28Å; V154-H156 WeakPolarHBondContact CG1-NE2 3.14Å; V154-H156 PolarHBondContact O-CD2 3.39Å; V154-H156 VanDerWaalsContact O-CD2 3.26Å; V154-H156 PolarHBondContact O-N 2.96Å
157S28.9Very low48.3Very low49 Ų4965.3 Ų65.334%0.34336%0.36SS..  trans-137.3128.5174.274.70000113.1I155 L159I155-S157 WeakPolarHBondContact CG2-O 3.49Å; I155-S157 PolarHBondContact O-N 3.17Å; S157-L159 PolarHBondContact O-N 3.08Å
158P33.6Very low45.8Very low100 Ų10065.8 Ų65.865%0.64936%0.364SS*.THydrogen-bonded Turntrans-69.5-17.2175.529.3-34.8000112.5R160P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.31Å
159L31.5Very low43.6Very low159 Ų15971 Ų7183%0.83239%0.385SS*.THydrogen-bonded Turntrans-75.1-15.6-177.3-62.8174.9000114S157S157-L159 PolarHBondContact O-N 3.08Å
160R36.4Very low41.5Very low133 Ų13375.1 Ų75.150%0.50241%0.405SS..  trans-129.972.5-179.9-72.5-152.2177.6-162.3-4.8114.6P158 S162 M163P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.31Å; R160-S162 PolarHBondContact O-N 3.2Å; R160-M163 HydrophobicContact CB-CG 3.84Å; R160-M163 VanDerWaalsContact CD-CG 3.43Å; R160-M163 HydrophobicContact CG-CG 4.29Å; R160-M163 PolarHBondContact NH1-SD 3.49Å
161T34.8Very low39.8Very low81 Ų8174.1 Ų74.150%0.49739%0.39SS..THydrogen-bonded Turntrans-64.9-8.6152550000112.9R167T161-R167 PolarHBondContact OG1-NH1 3.05Å
162S37.5Very low38.2Very low33 Ų3373.7 Ų73.723%0.23139%0.39CS..THydrogen-bonded Turntrans-87.1-0.4-179.748.80000115.9R160R160-S162 PolarHBondContact O-N 3.2Å
163M32.9Very low36.7Very low110 Ų11075.7 Ų75.754%0.54241%0.412SS..THydrogen-bonded Turntrans-84.2-32.8176.5-73.4-93.952.100113.6R160R160-M163 HydrophobicContact CB-CG 3.84Å; R160-M163 VanDerWaalsContact CD-CG 3.43Å; R160-M163 HydrophobicContact CG-CG 4.29Å; R160-M163 PolarHBondContact NH1-SD 3.49Å
164A34.3Very low35.5Very low17 Ų1777.7 Ų77.714%0.1443%0.434CS..THydrogen-bonded Turntrans-99.1-29.117900000113.2Y123 G124 I155Y123-A164 WeakPolarHBondContact CA-O 3.23Å; Y123-A164 WeakPolarHBondContact CD1-O 3.37Å; G124-A164 PolarHBondContact N-O 3.34Å; I155-A164 HydrophobicContact CD1-CB 4.37Å
165S40.8Very low34.7Very low12 Ų1278 Ų788%0.08444%0.436CS..SBendtrans-102.7139.1-178.1-172.70000112.2E121 R138 R167E121-S165 VanDerWaalsContact OE1-CA 3.23Å; E121-S165 WeakPolarHBondContact OE1-CA 3.15Å; E121-S165 WeakPolarHBondContact OE1-CB 3.31Å; E121-S165 PolarHBondContact OE1-OG 3.06Å; R138-S165 PolarHBondContact NH1-OG 3.13Å; S165-R167 PolarHBondContact O-N 3.47Å
166L42.3Very low34Very low2 Ų284.7 Ų84.71%0.0147%0.471CS..  trans-85.369.6-164.7-63.3173.7000112.1W80 R97 A104 R105 Q115 E121W80-L166 HydrophobicContact CE3-CD2 4.33Å; W80-L166 HydrophobicContact CH2-CD2 3.33Å; W80-L166 HydrophobicContact CZ2-CD2 4.45Å; W80-L166 HydrophobicContact CZ3-CD2 3.23Å; R97-L166 PolarHBondContact NH2-O 3.26Å; A104-L166 HydrophobicContact CB-CD2 3.67Å; A104-L166 HydrophobicContact CB-CG 4.38Å; R105-L166 VanDerWaalsContact CA-CD1 3.46Å; R105-L166 VanDerWaalsContact O-CD1 3.29Å; R105-L166 WeakPolarHBondContact O-CD1 3.3Å; Q115-L166 PolarHBondContact NE2-O 3.38Å; E121-L166 HydrophobicContact CG-CD1 4.1Å; E121-L166 HydrophobicContact CG-CG 4.41Å; E121-L166 PolarHBondContact OE1-N 3.49Å
167R39.8Very low33.8Very low73 Ų7384 Ų8428%0.27547%0.468SS..  trans-78143.7174.9-65-161.2176113.2-0.5111.8T161 S165 E169 D291T161-R167 PolarHBondContact OG1-NH1 3.05Å; S165-R167 PolarHBondContact O-N 3.47Å; R167-E169 PolarHBondContact O-N 2.89Å; R167-E169 VanDerWaalsContact O-N 3.12Å; R167-D291 IonicContact CZ-OD2 2.75Å; R167-D291 IonicContact NE-OD2 2.73Å; R167-D291 IonicContact NH2-OD2 3.17Å; R167-D291 PolarHBondContact NH2-OD2 3.43Å
168S35.9Very low33.6Very low24 Ų2488.3 Ų88.317%0.16849%0.487CS..  trans-72.195.3160.5-79.60000108.8R97 G113 Q170R97-S168 PolarHBondContact NH1-OG 3.06Å; G113-S168 PolarHBondContact O-OG 2.81Å; S168-Q170 PolarHBondContact O-N 2.89Å; S168-Q170 VanDerWaalsContact O-N 3.15Å
169E37.4Very low33.4Very low149 Ų14991 Ų9170%0.69650%0.495SS*.  trans-57.1113.9154.5-67.2-75.2130.700107.3R167 S171R167-E169 PolarHBondContact O-N 2.89Å; R167-E169 VanDerWaalsContact O-N 3.12Å; E169-S171 PolarHBondContact O-N 3.07Å
170Q33.2Very low33.2Very low107 Ų10787.9 Ų87.950%0.549%0.487SS..  trans-19.4109.7-168.5-68.4159.3-42.800116S168 N172 A174 V175S168-Q170 PolarHBondContact O-N 2.89Å; S168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-N172 VanDerWaalsContact C-N 3.32Å; Q170-N172 PolarHBondContact O-N 3.38Å; Q170-A174 PolarHBondContact NE2-O 3.11Å; Q170-V175 VanDerWaalsContact OE1-CG2 3.23Å
171S35.7Very low32.8Very low31 Ų3186.8 Ų86.822%0.21750%0.499CS..SBendtrans-7787.5161.957.30000109.8E169E169-S171 PolarHBondContact O-N 3.07Å
172N34.7Very low32.5Very low123 Ų12388.8 Ų88.866%0.65851%0.514SS*.SBendtrans80.996.3169.5-44.3-13.4000115Q170Q170-N172 VanDerWaalsContact C-N 3.32Å; Q170-N172 PolarHBondContact O-N 3.38Å
173G29.8Very low32.5Very low55 Ų5593.4 Ų93.457%0.56754%0.541SS*.SBendtrans136.8131.2161.200000115.8
174A28.4Very low32.2Very low96 Ų9695.8 Ų95.879%0.79356%0.555SS**  trans-4.3130.6170.300000120.1Q170Q170-A174 PolarHBondContact NE2-O 3.11Å
175V28.3Very low31.8Very low85 Ų85100.7 Ų100.752%0.51558%0.584SS.*  trans-81.9125.2164-179.60000110.1Q170 H177Q170-V175 VanDerWaalsContact OE1-CG2 3.23Å; V175-H177 VanDerWaalsContact CG1-CD2 3.5Å; V175-H177 WeakPolarHBondContact CG1-CD2 3.5Å
176L25.8Very low31.5Very low174 Ų174105.6 Ų105.691%0.91162%0.616SS**  trans-96.5113.4156.8-92.2169.9000108.8
177H27.6Very low30.8Very low151 Ų151111 Ų11170%0.69965%0.649SS**  trans-85.9110.9169.5-83.4-79.7000109.8V175 L179V175-H177 VanDerWaalsContact CG1-CD2 3.5Å; V175-H177 WeakPolarHBondContact CG1-CD2 3.5Å; H177-L179 HydrophobicContact CB-CG 4.35Å
178D24.2Very low30.3Very low139 Ų139110.4 Ų110.474%0.74367%0.665SS**  trans-89104.7165.7-172.6-0.2000109.4S180D178-S180 PolarHBondContact O-N 3.47Å; D178-S180 PolarHBondContact OD1-OG 2.83Å
179L31Very low30.1Very low157 Ų157113.8 Ų113.882%0.82269%0.685SS**  trans-99.768.8-175.5-70.9173.5000111.2H177H177-L179 HydrophobicContact CB-CG 4.35Å
180S26.1Very low30.1Very low94 Ų94111.3 Ų111.366%0.65767%0.669SS**  trans-141.754.5-179.6650000115.9D178D178-S180 PolarHBondContact O-N 3.47Å; D178-S180 PolarHBondContact OD1-OG 2.83Å
181S28.3Very low30Very low109 Ų109106.8 Ų106.876%0.76265%0.652SS**SBendtrans-146.3146.9157.453.50000112.7
182P29.1Very low30.1Very low124 Ų124106.8 Ų106.881%0.80566%0.657SS**  trans-72155.3-173.2-17.832.9000113.8
183V36.5Very low30.6Very low130 Ų130102.5 Ų102.579%0.78863%0.632SS**  trans-87.1117.4174.2178.70000109.9
184D26.5Very low31Very low159 Ų159102.1 Ų102.185%0.8562%0.619SS**  trans-104.5142.6160.2-79.8-45.2000109.7
185T27.2Very low31.3Very low120 Ų12098.4 Ų98.474%0.73659%0.586SS**  trans-97.3-177.7-170.7-13.20000111.8
186P34.2Very low31.6Very low116 Ų11698.3 Ų98.375%0.75358%0.582SS**  -112.2109.2-116.835.9-19.9000114.4
187T27.7Very low32.2Very low116 Ų11692.2 Ų92.271%0.71255%0.548SS*.  trans-97.3124158.4-44.70000109.1T189T187-T189 PolarHBondContact O-N 3.43Å
188G28.6Very low32.2Very low60 Ų6090 Ų9062%0.61954%0.538SS*.  trans-63.3101-168.300000113.8R190G188-R190 VanDerWaalsContact C-N 3.27Å; G188-R190 PolarHBondContact O-N 2.95Å
189T31.7Very low32.6Very low95 Ų9585.9 Ų85.958%0.58352%0.52SS*.  trans-76.382.5172.8-55.60000109.6T187T187-T189 PolarHBondContact O-N 3.43Å
190R36.8Very low32.6Very low96 Ų9684 Ų8436%0.36251%0.511SS..  trans-47154.8172.5-167.3171.7179.1173.4-4.2111Y149 A152 V154 G188 G192Y149-R190 PolarHBondContact O-NH2 2.96Å; A152-R190 PolarHBondContact O-NE 3.23Å; A152-R190 PolarHBondContact O-NH2 3.43Å; V154-R190 HydrophobicContact CG1-CG 4.33Å; G188-R190 VanDerWaalsContact C-N 3.27Å; G188-R190 PolarHBondContact O-N 2.95Å; R190-G192 PolarHBondContact O-N 3.04Å
191G30.8Very low33Very low13 Ų1384.5 Ų84.513%0.13451%0.514CS..SBendtrans-39.7121.9-175.300000112.3T153T153-G191 PolarHBondContact O-N 3.45Å
192G38.7Very low33.2Very low31 Ų3187 Ų8732%0.3251%0.514SS..SBendtrans-56.6162.7-151.900000116.1R144 R190R144-G192 PolarHBondContact NH2-O 3.32Å; R190-G192 PolarHBondContact O-N 3.04Å
193F45.3Very low33.4Very low33 Ų3387.7 Ų87.715%0.14552%0.515CS..  trans66.441.2178.6-34.4-84.9000114R144 W288 D291 N314R144-F193 PolarHBondContact NH1-O 3.15Å; F193-W288 HydrophobicContact CD1-CH2 4.43Å; F193-W288 HydrophobicContact CD1-CZ3 4.3Å; F193-W288 HydrophobicContact CE1-CH2 4.34Å; F193-W288 AromaticContact CE1-CZ3 3.79Å; F193-W288 HydrophobicContact CE1-CZ3 3.79Å; F193-W288 HydrophobicContact CZ-CZ3 4.11Å; F193-D291 WeakPolarHBondContact CE1-O 3.46Å; F193-D291 WeakPolarHBondContact CZ-O 3.49Å; F193-N314 WeakPolarHBondContact CD1-OD1 3.34Å; F193-N314 VanDerWaalsContact CE1-ND2 3.28Å; F193-N314 WeakPolarHBondContact CE1-ND2 3.4Å; F193-N314 VanDerWaalsContact CE1-OD1 3.26Å; F193-N314 WeakPolarHBondContact CE1-OD1 3.46Å
194V37.1Very low33.1Very low47 Ų4786.4 Ų86.429%0.28551%0.508SS..  trans-81.8137153.3163.40000109.1Y149 N196Y149-V194 HydrophobicContact CD1-CG2 4.47Å; Y149-V194 HydrophobicContact CE1-CB 4.2Å; Y149-V194 HydrophobicContact CE1-CG1 3.76Å; Y149-V194 HydrophobicContact CE1-CG2 3.72Å; V194-N196 VanDerWaalsContact C-N 3.34Å; V194-N196 PolarHBondContact O-N 2.81Å
195L35.6Very low33.5Very low18 Ų1884.8 Ų84.89%0.09450%0.504CS..  trans-78.578.8170.8-92.2173.8000111.8Y149 F197 E282 W311Y149-L195 PolarHBondContact OH-N 2.82Å; L195-F197 PolarHBondContact O-N 2.8Å; L195-F197 VanDerWaalsContact O-N 3.17Å; L195-E282 WeakPolarHBondContact CB-OE2 3.32Å; L195-E282 WeakPolarHBondContact CG-OE1 3.24Å; L195-W311 HydrophobicContact CD1-CH2 4.47Å; L195-W311 HydrophobicContact CD2-CH2 3.98Å; L195-W311 HydrophobicContact CD2-CZ3 4Å
196N35.1Very low33.6Very low82 Ų8281.8 Ų81.844%0.43950%0.497SS..  trans-68.7108.7171.5-146.772.4000110V194 H198 N337V194-N196 VanDerWaalsContact C-N 3.34Å; V194-N196 PolarHBondContact O-N 2.81Å; N196-H198 VanDerWaalsContact C-N 3.3Å; N196-H198 PolarHBondContact ND2-O 2.83Å; N196-N337 PolarHBondContact O-ND2 3.13Å
197F38.3Very low33.6Very low46 Ų4685.9 Ų85.920%0.20250%0.503CS..  trans-65.7-37.2178-64.7-87.6000112.5L195 S199 D274 M305L195-F197 PolarHBondContact O-N 2.8Å; L195-F197 VanDerWaalsContact O-N 3.17Å; F197-S199 PolarHBondContact O-N 3.31Å; F197-D274 HydrophobicContact CD2-CB 4.25Å; F197-D274 HydrophobicContact CE2-CB 3.9Å; F197-D274 WeakPolarHBondContact CE2-OD2 3.44Å; F197-D274 WeakPolarHBondContact CZ-OD2 3.34Å; F197-M305 HydrophobicContact CE1-CE 4.31Å; F197-M305 HydrophobicContact CE1-SD 3.94Å; F197-M305 HydrophobicContact CZ-CE 3.74Å; F197-M305 HydrophobicContact CZ-SD 3.57Å; F197-M305 VanDerWaalsContact CZ-SD 3.57Å
198H28.1Very low33.8Very low105 Ų10590.3 Ų90.349%0.48651%0.512SS..SBendtrans-68.5125.6-175.9-42.6125.9000109.4N196N196-H198 VanDerWaalsContact C-N 3.3Å; N196-H198 PolarHBondContact ND2-O 2.83Å
199S32.6Very low34Very low53 Ų5397 Ų9737%0.37152%0.524SS..  trans-74.4133.3166.251.10000110F197 S201F197-S199 PolarHBondContact O-N 3.31Å; S199-S201 WeakPolarHBondContact O-CB 3.35Å; S199-S201 PolarHBondContact O-N 3.12Å
200D30.3Very low33.9Very low117 Ų11796 Ų9663%0.62653%0.533SS*.  trans-54106.5161.5-45.2-70.9000108K315D200-K315 IonicContact OD2-NZ 3.33Å; D200-K315 PolarHBondContact OD2-NZ 3.26Å
201S34.9Very low33.8Very low104 Ų10497.9 Ų97.973%0.72755%0.55SS*.  trans-124.242-167.4-175.50000112S199S199-S201 WeakPolarHBondContact O-CB 3.35Å; S199-S201 PolarHBondContact O-N 3.12Å
202E32.3Very low33.7Very low161 Ų161106.1 Ų106.175%0.75258%0.582SS**  trans-128.676.4170.9-146.7177.7-171.800113.5V204E202-V204 HydrophobicContact CG-CB 3.99Å; E202-V204 HydrophobicContact CG-CG2 3.52Å
203V33.5Very low33.5Very low139 Ų139116.5 Ų116.584%0.84261%0.612SS**  trans-103.563.6149.5-172.60000107.6T205V203-T205 PolarHBondContact O-N 3.03Å; V203-T205 VanDerWaalsContact O-N 3.15Å
204V29.7Very low32.9Very low104 Ų104127.1 Ų127.163%0.6365%0.651SS**  trans-68110.4172165.40000107.9E202 G206E202-V204 HydrophobicContact CG-CB 3.99Å; E202-V204 HydrophobicContact CG-CG2 3.52Å; V204-G206 PolarHBondContact O-N 2.8Å
205T34.5Very low32.5Very low125 Ų125128 Ų12877%0.76767%0.669SS**  trans-75.767.2175.746.10000110.4V203 K207V203-T205 PolarHBondContact O-N 3.03Å; V203-T205 VanDerWaalsContact O-N 3.15Å; T205-K207 PolarHBondContact O-N 3.4Å
206G29.2Very low32.5Very low57 Ų57132.6 Ų132.659%0.58870%0.703SS**  trans-63.692.2-175.200000112.9V204 K208V204-G206 PolarHBondContact O-N 2.8Å; G206-K208 VanDerWaalsContact C-N 3.32Å; G206-K208 PolarHBondContact O-N 2.63Å
207K34Very low32.5Very low201 Ų201134.8 Ų134.887%0.87471%0.714SS**  trans-65.585.7172.1-71.6-178.6177.5177.10110.7T205 K209T205-K207 PolarHBondContact O-N 3.4Å; K207-K209 PolarHBondContact O-N 2.82Å
208K32.3Very low32.2Very low209 Ų209142 Ų14291%0.90975%0.746SS**  trans-60.2105.8171.4-75.7-174.4175179.30110.2G206 G210G206-K208 VanDerWaalsContact C-N 3.32Å; G206-K208 PolarHBondContact O-N 2.63Å; K208-G210 PolarHBondContact O-N 2.91Å; K208-G210 VanDerWaalsContact O-N 3.16Å
209K32.4Very low32.3Very low200 Ų200140 Ų14087%0.8775%0.754SS**  trans-70100.4163.6-78.2-178.1174.5178.50108.7K207K207-K209 PolarHBondContact O-N 2.82Å
210G30.8Very low32.3Very low75 Ų75143.1 Ų143.177%0.77378%0.776SS**  trans-79.2133.7163.400000110.4K208K208-G210 PolarHBondContact O-N 2.91Å; K208-G210 VanDerWaalsContact O-N 3.16Å
211L34.2Very low32.7Very low136 Ų136143.7 Ų143.771%0.71278%0.778SS**  trans-88.3154.4167.1-94.871.7000110.6
212F28.7Very low32.7Very low186 Ų186148.4 Ų148.482%0.81678%0.78SS**  trans62.6103.3169.5-51.7-64000118.6
213R34.3Very low32.9Very low249 Ų249146.7 Ų146.794%0.9477%0.772SS**  -143.9158.1101.7-105.7-166.3-70.5-93.77.4110.9
214R32.4Very low33Very low255 Ų255145.8 Ų145.896%0.96276%0.762SS**  trans-77.5155.8179.5-74.3172.8164.1158.1-7.6111.5
215G29.3Very low33.1Very low66 Ų66150.5 Ų150.568%0.6877%0.768SS**  trans126.8110.413900000116.8
216S35.1Very low33Very low115 Ų115152.6 Ų152.680%0.80477%0.767SS**  trans64.5158.5150.4-620000119
217L34.6Very low33.1Very low127 Ų127153.9 Ų153.967%0.66577%0.766SS**  cis-161149.6-27.8-111.1172.4000106.5
218F32.8Very low32.9Very low197 Ų197150.4 Ų150.486%0.86476%0.758SS**  trans62.5149.8-180-45.8-76.2000115.4
219G29.6Very low32.8Very low64 Ų64144.6 Ų144.666%0.6674%0.743SS**  cis159.5143.9-9.400000111.4
220S33.8Very low32.9Very low118 Ų118145.6 Ų145.683%0.82574%0.741SS**  trans66.8156.7178.1-107.60000115.1
221L37.9Very low32.9Very low130 Ų130147.4 Ų147.468%0.68174%0.737SS**  cis-159.8132.7-4.8-17471.4000109.9
222R36.1Very low32.7Very low202 Ų202145.4 Ų145.476%0.76274%0.735SS**  trans54.1159.9155.4-68.4168.7-178.3-97.87118.3
223Q35.5Very low32.8Very low126 Ų126143.9 Ų143.959%0.58973%0.733SS**  cis-144.6151.6-0.4-157.8122.7-72.800110.5
224L35.8Very low32.6Very low119 Ų119137.2 Ų137.262%0.62373%0.725SS**  trans0.5152.7140.7-73.545.4000118.4
225R32.8Very low32.6Very low204 Ų204130.6 Ų130.677%0.7772%0.718SS**  cis-169.9154.218.2-121.3161.9-169.7171.63.5112
226K31.7Very low32.7Very low169 Ų169137.3 Ų137.374%0.73573%0.729SS**  trans56.6141.6147.6-69.5-169169.3-160.40119
227S31.6Very low32.5Very low83 Ų83142.3 Ų142.358%0.5873%0.73SS**  cis70.8144.140.996.40000112.6
228D28.3Very low32.2Very low129 Ų129140.8 Ų140.869%0.6973%0.73SS**  cis-140.4152.113.4-80.5-67.5000109.3
229S31.5Very low32Very low86 Ų86136.8 Ų136.860%0.60173%0.726SS**  85130.661.3117.60000116.1
230R34.8Very low32Very low222 Ų222138.3 Ų138.384%0.83873%0.732SS**  trans70159155.7-58.317087.3102.2-0.7116.3
231T30.4Very low31.8Very low112 Ų112143.9 Ų143.969%0.68774%0.735SS**  cis-156.6146.5-5.42.30000113.4
232S29.1Very low31.3Very low94 Ų94143.5 Ų143.566%0.65774%0.743SS**  trans-3.3149.2149.259.90000124.4
233I31.3Very low31Very low154 Ų154141.1 Ų141.179%0.7975%0.746SS**  164.4149.4118.5-90.7168.5000114.6
234S29.8Very low30.6Very low110 Ų110140 Ų14077%0.76976%0.758SS**  trans68155.4165.9-890000119.5
235S32.7Very low30.1Very low116 Ų116139.9 Ų139.981%0.81176%0.763SS**  cis-152.5172.7-3.738.90000112.2
236K30.6Very low29.8Very low207 Ų207137.4 Ų137.490%0.976%0.761SS**  trans-86.3149.5-173-66.4172.4173.9172.90114.3
237R30.9Very low29.7Very low220 Ų220133.9 Ų133.983%0.8376%0.758SS**  138.9120.7109.7-160.1-169.7-167.8-86.77.7115
238S29.2Very low29.5Very low94 Ų94140.4 Ų140.466%0.65777%0.77SS**  trans56.3141.7156.6530000119.6
239S29.3Very low29.3Very low114 Ų114141.7 Ų141.780%0.79778%0.775SS**  cis-157.5-172.96.857.40000111.5
240A28.4Very low29Very low95 Ų95142.3 Ų142.379%0.78578%0.779SS**  trans75.2115.2160.600000119.2
241R30Very low28.6Very low236 Ų236136.1 Ų136.189%0.89177%0.77SS**  trans-40.8143.8170.9-67.3168.9162.7168.7-7.6116.1
242S28.1Very low28.4Very low121 Ų121135.6 Ų135.685%0.84677%0.771SS**  -163.1143.5107.6-89.30000110.4
243D28.2Very low28.3Very low152 Ų152139 Ų13981%0.81378%0.782SS**  trans-82.4145-179.6-72-68.6000113
244A27.2Very low28.3Very low102 Ų102136.2 Ų136.284%0.84378%0.782SS**  trans-174.560.7160.100000110.5
245T26.3Very low28.2Very low118 Ų118139.2 Ų139.272%0.72479%0.789SS**  trans-67.5154.616142.10000110.1
246M27.4Very low28Very low151 Ų151138.7 Ų138.774%0.74479%0.786SS**  cis-150.6-169.9-2.5-124.2-59.5163.700110.9
247S28.6Very low27.7Very low96 Ų96134.8 Ų134.867%0.67178%0.779SS**  trans-150.6120.4159.2-65.50000110.3
248R26.8Very low27.8Very low220 Ų220132.4 Ų132.483%0.8378%0.781SS**  trans175.3130.3150.7-92.5139.3-154.5-173.55.8109.7
249I24.9Very low27.6Very low156 Ų156133 Ų13380%0.879%0.786SS**  54.6114.595.6-51.5172.7000110.9
250S25.9Very low28.1Very low98 Ų98135.8 Ų135.869%0.68579%0.79SS**  -164.9161.861.2-154.60000116.2
251S25.3Very low28.1Very low92 Ų92134.7 Ų134.764%0.64379%0.788SS**  trans15.3128.9146.857.40000122.2
252S27.2Very low28.6Very low102 Ų102131.9 Ų131.971%0.71379%0.791SS**  20.7134.9125.3-30.90000118.9
253D25.6Very low28.6Very low166 Ų166129.4 Ų129.489%0.88878%0.784SS**  -147.1168.856.2-76.2-35.8000113.7
254A32.3Very low29.2Very low95 Ų95131.5 Ų131.579%0.78579%0.789SS**  trans-112.2123.7-178.800000112.4
255N28.4Very low29.4Very low172 Ų172134.5 Ų134.592%0.9279%0.79SS**  trans-165.180.4171-127-0.5000115
256S26.9Very low30Very low106 Ų106134.5 Ų134.574%0.74179%0.792SS**  trans-171.3143.4156.450.50000108.1
257T25.5Very low30.5Very low124 Ų124134.7 Ų134.776%0.76180%0.796SS**  cis71.794.728.175.50000115.7
258I32.1Very low31.2Very low170 Ų170138.5 Ų138.587%0.87280%0.803SS**  trans39.7116.2146.1-57.2173.4000117.2
259S25.7Very low31.8Very low108 Ų108135.4 Ų135.476%0.75580%0.803SS**  -166.7154.4112.4-158.40000112.6
260I40Very low32.1Very low171 Ų171135.6 Ų135.688%0.87781%0.805SS**  trans-72.6135148.9-74.5168.8000107
261G27.1Very low32.6Very low73 Ų73136.2 Ų136.275%0.75381%0.807SS**  trans-166.1130.8178.700000110.4
262D41.4Very low33.3Very low177 Ų177139.7 Ų139.795%0.94782%0.817SS**  trans-84.7150.6-179.4-171.318.1000111.1
263G28.7Very low33.8Very low68 Ų68141.1 Ų141.170%0.70181%0.812SS**  trans150114.5177.900000115.5
264E39.9Very low34.8Very low196 Ų196135.6 Ų135.692%0.91678%0.783SS**  trans-68.8133.4171.3-56.4175.6116.100112.5
265L31.7Very low35.9Very low166 Ų166138.8 Ų138.887%0.86978%0.782SS**  trans-157.3157.3147.3-91.7-178.1000108.4
266P37.7Very low37.8Very low117 Ų117132.4 Ų132.476%0.7675%0.749SS**  trans-81.4148.3-155.7-15.431.1000116.9E268P266-E268 PolarHBondContact O-N 2.89Å
267D39.8Very low40.1Very low155 Ų155130.9 Ų130.983%0.82973%0.732SS**  trans-69.1110.4171.7-53.8-88.4000113.2
268E43.2Very low42.6Very low177 Ų177127.5 Ų127.583%0.82772%0.717SS**  trans-149.8148.4156.5-86.4-58.5164.500109.9P266P266-E268 PolarHBondContact O-N 2.89Å
269D38.6Very low45.1Very low155 Ų155124.3 Ų124.383%0.82971%0.705SS**  trans56.647.7173-96.5-18.7000117.8
270L30.6Very low48Very low159 Ų159119.3 Ų119.383%0.83267%0.67SS**  trans-74.7132.3145.9-78.1179.5000109.3L272L270-L272 PolarHBondContact O-N 2.84Å
271P37.7Very low50.3Low111 Ų111112.6 Ų112.672%0.72164%0.637SS**  trans-63.9134.9169.428.5-33.1000108.8E273P271-E273 VanDerWaalsContact C-N 3.27Å; P271-E273 PolarHBondContact O-N 2.96Å
272L39.1Very low53.3Low165 Ų165109.1 Ų109.186%0.86460%0.601SS**  trans-67.987175.6-168.273.8000109.9L270 D274L270-L272 PolarHBondContact O-N 2.84Å; L272-D274 PolarHBondContact O-N 3.23Å
273E37.4Very low55.8Low132 Ų132102.2 Ų102.262%0.61757%0.566SS**  trans-43.2120.1144.6-79.8-99115.300106.4P271 H275P271-E273 VanDerWaalsContact C-N 3.27Å; P271-E273 PolarHBondContact O-N 2.96Å; E273-H275 PolarHBondContact O-N 3.49Å
274D46.3Very low59.1Low51 Ų5199 Ų9927%0.27353%0.533SS..  trans-67.380.9166.8-173.962.4000105.4F197 L272 V276 R301F197-D274 HydrophobicContact CD2-CB 4.25Å; F197-D274 HydrophobicContact CE2-CB 3.9Å; F197-D274 WeakPolarHBondContact CE2-OD2 3.44Å; F197-D274 WeakPolarHBondContact CZ-OD2 3.34Å; L272-D274 PolarHBondContact O-N 3.23Å; D274-V276 WeakPolarHBondContact O-CG2 3.38Å; D274-V276 PolarHBondContact O-N 2.93Å; D274-R301 IonicContact OD2-NH1 3.76Å; D274-R301 PolarHBondContact OD2-NH1 3.4Å
275H56.8Low61.9Low162 Ų16291.9 Ų91.975%0.7550%0.5SS*.  trans-71.378.8-163-174.4-55.8000108.9E273 D277E273-H275 PolarHBondContact O-N 3.49Å; H275-D277 PolarHBondContact O-N 2.92Å
276V67.8Low65Low38 Ų3884 Ų8423%0.2346%0.458CS..  trans-59.8103.6-173.3-173.80000108.3Y149 D274 T280Y149-V276 HydrophobicContact CD1-CG1 3.95Å; Y149-V276 HydrophobicContact CD2-CG1 3.41Å; Y149-V276 VanDerWaalsContact CD2-CG1 3.41Å; Y149-V276 HydrophobicContact CE1-CG1 4.22Å; Y149-V276 HydrophobicContact CE2-CG1 3.75Å; Y149-V276 HydrophobicContact CG-CB 4.45Å; Y149-V276 HydrophobicContact CG-CG1 3.55Å; D274-V276 WeakPolarHBondContact O-CG2 3.38Å; D274-V276 PolarHBondContact O-N 2.93Å; V276-T280 HydrophobicContact CG1-CG2 3.86Å
277D75.1Confident67.9Low73 Ų7380.7 Ų80.739%0.3943%0.433SS..  trans-53.3143.7-175166.659.6000111.1H275 T279 T280H275-D277 PolarHBondContact O-N 2.92Å; D277-T279 PolarHBondContact O-N 3.28Å; D277-T279 VanDerWaalsContact O-N 3.08Å; D277-T279 WeakPolarHBondContact OD2-CA 3.37Å; D277-T279 WeakPolarHBondContact OD2-CB 3.41Å; D277-T279 WeakPolarHBondContact OD2-CG2 3.32Å; D277-T279 PolarHBondContact OD2-N 2.89Å; D277-T279 PolarHBondContact OD2-OG1 2.96Å; D277-T280 PolarHBondContact N-OG1 2.77Å; D277-T280 WeakPolarHBondContact O-CB 3.4Å; D277-T280 PolarHBondContact O-N 3.39Å; D277-T280 PolarHBondContact O-OG1 3.42Å
278A78.1Confident70.6Confident54 Ų5473.7 Ų73.745%0.44640%0.395SS..THydrogen-bonded Turntrans-57.7-26.2-175.800000113.3P148 Y149 G150P148-A278 CarbonylContact C-O 3.55Å; P148-A278 VanDerWaalsContact CB-O 3.26Å; P148-A278 WeakPolarHBondContact CB-O 3.41Å; Y149-A278 PolarHBondContact N-O 3.2Å; G150-A278 PolarHBondContact N-O 3.08Å
279T85Confident73.1Confident102 Ų10270.7 Ų70.763%0.62638%0.379SS*.THydrogen-bonded Turntrans-82.6-15.3175.979.60000113.5D277 T281D277-T279 PolarHBondContact O-N 3.28Å; D277-T279 VanDerWaalsContact O-N 3.08Å; D277-T279 WeakPolarHBondContact OD2-CA 3.37Å; D277-T279 WeakPolarHBondContact OD2-CB 3.41Å; D277-T279 WeakPolarHBondContact OD2-CG2 3.32Å; D277-T279 PolarHBondContact OD2-N 2.89Å; D277-T279 PolarHBondContact OD2-OG1 2.96Å; T279-T281 PolarHBondContact O-N 2.95Å
280T85.9Confident75.6Confident3 Ų367.3 Ų67.32%0.01836%0.361CS..  trans-59138-175.3-57.10000111.2P148 Y149 V276 D277 R301 S302 N303P148-T280 CarbonylContact C-O 3.48Å; P148-T280 VanDerWaalsContact CA-O 3.23Å; P148-T280 WeakPolarHBondContact CA-O 3.33Å; Y149-T280 HydrophobicContact CD2-CG2 4.05Å; Y149-T280 VanDerWaalsContact CD2-O 3.27Å; Y149-T280 WeakPolarHBondContact CD2-O 3.44Å; Y149-T280 HydrophobicContact CE2-CG2 4.35Å; Y149-T280 PolarHBondContact N-O 2.98Å; V276-T280 HydrophobicContact CG1-CG2 3.86Å; D277-T280 PolarHBondContact N-OG1 2.77Å; D277-T280 WeakPolarHBondContact O-CB 3.4Å; D277-T280 PolarHBondContact O-N 3.39Å; D277-T280 PolarHBondContact O-OG1 3.42Å; T280-R301 HydrophobicContact CG2-CB 4.1Å; T280-R301 HydrophobicContact CG2-CG 4.46Å; T280-S302 WeakPolarHBondContact CA-OG 3.29Å; T280-N303 HydrophobicContact CG2-CB 4.4Å
281T88.4Confident78.4Confident30 Ų3060.2 Ų60.218%0.18432%0.324CS..  trans-118.2156.8170.753.80000110.5P148 T279 R301 S302P148-T281 HydrophobicContact CG-CG2 4.09Å; T279-T281 PolarHBondContact O-N 2.95Å; T281-R301 CarbonylContact O-C 3.54Å; T281-R301 WeakPolarHBondContact O-CA 3.1Å; T281-S302 PolarHBondContact N-OG 3.29Å; T281-S302 PolarHBondContact O-N 3.5Å; T281-S302 PolarHBondContact OG1-OG 3.46Å
282E89.4Confident80.9Confident0 Ų059.5 Ų59.50%031%0.309CS..EExtended strand (participates in β ladder)trans-123.8119.1176.5-175.7177.213300110.6S146 Y149 L195 R293 E300 R301S146-E282 PolarHBondContact N-O 3.26Å; S146-E282 PolarHBondContact OG-N 2.93Å; Y149-E282 HydrophobicContact CE2-CB 4.25Å; Y149-E282 PolarHBondContact OH-OE2 2.97Å; L195-E282 WeakPolarHBondContact CB-OE2 3.32Å; L195-E282 WeakPolarHBondContact CG-OE1 3.24Å; E282-R293 IonicContact OE1-CZ 3.9Å; E282-R293 IonicContact OE1-NH1 3.32Å; E282-R293 PolarHBondContact OE1-NH1 3.18Å; E282-R293 IonicContact OE1-NH2 2.92Å; E282-E300 WeakPolarHBondContact CA-O 3.29Å; E282-R301 HydrophobicContact CB-CG 4.48Å; E282-R301 HydrophobicContact CG-CG 4.48Å
283T95.8Very high83.6Confident33 Ų3351.8 Ų51.820%0.20227%0.269CS..EExtended strand (participates in β ladder)trans-104.3124.9172.1-60.70000109.7V143 R144 M285 S299 E300V143-T283 HydrophobicContact CG1-CG2 3.89Å; R144-T283 CarbonylContact O-C 3.55Å; R144-T283 VanDerWaalsContact O-CA 3.31Å; R144-T283 WeakPolarHBondContact O-CA 3.22Å; T283-M285 HydrophobicContact CG2-CE 4.08Å; T283-M285 HydrophobicContact CG2-CG 4.27Å; T283-S299 CarbonylContact O-C 3.56Å; T283-S299 WeakPolarHBondContact O-CA 3.4Å; T283-E300 PolarHBondContact N-O 3.24Å; T283-E300 PolarHBondContact O-N 2.87Å
284Y97.3Very high86.3Confident1 Ų147 Ų470%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-111.1132.3171.2174.3-99.9000110.6V143 R144 E287 W288 R293 V298 W311V143-Y284 CarbonylContact C-O 3.42Å; V143-Y284 VanDerWaalsContact CA-O 3.22Å; V143-Y284 WeakPolarHBondContact CA-O 3.32Å; R144-Y284 PolarHBondContact N-O 3.14Å; R144-Y284 PolarHBondContact O-N 3.34Å; Y284-E287 PolarHBondContact OH-N 2.6Å; Y284-E287 PolarHBondContact OH-O 3.09Å; Y284-E287 VanDerWaalsContact OH-O 3.1Å; Y284-W288 AromaticContact CD1-CE2 3.73Å; Y284-W288 HydrophobicContact CD1-CH2 4.44Å; Y284-W288 AromaticContact CD1-CZ2 3.52Å; Y284-W288 HydrophobicContact CD1-CZ2 3.52Å; Y284-W288 AromaticContact CD1-NE1 3.72Å; Y284-W288 AromaticContact CE1-CE2 3.77Å; Y284-W288 HydrophobicContact CE1-CZ2 4.01Å; Y284-W288 AromaticContact CE1-NE1 3.55Å; Y284-R293 HydrophobicContact CD1-CG 3.86Å; Y284-R293 VanDerWaalsContact CD2-CD 3.43Å; Y284-R293 HydrophobicContact CD2-CG 4.32Å; Y284-R293 HydrophobicContact CE1-CB 4.09Å; Y284-R293 HydrophobicContact CE1-CG 3.7Å; Y284-R293 HydrophobicContact CE2-CB 4.34Å; Y284-R293 HydrophobicContact CE2-CG 4.2Å; Y284-R293 VanDerWaalsContact CG-CD 3.46Å; Y284-R293 HydrophobicContact CG-CG 4.14Å; Y284-V298 CarbonylContact C-O 3.55Å; Y284-V298 WeakPolarHBondContact CA-O 3.27Å; Y284-V298 WeakPolarHBondContact CD2-O 3.44Å; Y284-W311 HydrophobicContact CD2-CH2 4.43Å; Y284-W311 AromaticContact CD2-CZ2 3.88Å; Y284-W311 HydrophobicContact CD2-CZ2 3.88Å; Y284-W311 HydrophobicContact CE2-CD2 4.03Å; Y284-W311 AromaticContact CE2-CE2 3.51Å; Y284-W311 HydrophobicContact CE2-CG 4.27Å; Y284-W311 AromaticContact CE2-CZ2 3.76Å; Y284-W311 HydrophobicContact CE2-CZ2 3.76Å; Y284-W311 AromaticContact CE2-NE1 3.57Å
285M98.4Very high88.8Confident45 Ų4545.6 Ų45.622%0.22225%0.245CC..EExtended strand (participates in β ladder)trans-125.6114.5175.2-55.4-167.917300109.7V143 T283 G297 V298 A370 A373 R374V143-M285 HydrophobicContact CB-CG 4.49Å; V143-M285 HydrophobicContact CG1-CE 4.34Å; V143-M285 HydrophobicContact CG1-CG 4.02Å; V143-M285 HydrophobicContact CG2-CB 4.18Å; V143-M285 HydrophobicContact CG2-CG 3.81Å; V143-M285 HydrophobicContact CG2-SD 4.43Å; T283-M285 HydrophobicContact CG2-CE 4.08Å; T283-M285 HydrophobicContact CG2-CG 4.27Å; M285-G297 CarbonylContact O-C 3.55Å; M285-G297 VanDerWaalsContact O-CA 3.31Å; M285-G297 WeakPolarHBondContact O-CA 3.29Å; M285-V298 PolarHBondContact N-O 3.49Å; M285-V298 PolarHBondContact O-N 2.91Å; M285-A370 HydrophobicContact CB-CB 3.65Å; M285-A370 HydrophobicContact SD-CB 4.49Å; M285-A373 HydrophobicContact CB-CB 4.38Å; M285-R374 HydrophobicContact CE-CG 4.15Å; M285-R374 HydrophobicContact SD-CG 3.73Å
286G97.9Very high90.8Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans166.2-151.5179.100000114.6Y141 G142 W288 F296Y141-G286 WeakPolarHBondContact CA-O 3.38Å; G142-G286 PolarHBondContact N-O 2.9Å; G142-G286 VanDerWaalsContact N-O 3.1Å; G142-G286 PolarHBondContact O-N 3.05Å; G286-W288 VanDerWaalsContact O-CD1 3.3Å; G286-F296 WeakPolarHBondContact CA-O 3.29Å
287E98.3Very high92.2Very high49 Ų4939.6 Ų39.623%0.22921%0.214CC..EExtended strand (participates in β ladder)trans-84.4141.8-177.1-72.5174-106.500113.9G140 Y141 Y284 N294 F296G140-E287 CarbonylContact O-C 3.52Å; G140-E287 WeakPolarHBondContact O-CA 3.39Å; Y141-E287 HydrophobicContact CD1-CG 3.84Å; Y141-E287 HydrophobicContact CE1-CG 3.35Å; Y284-E287 PolarHBondContact OH-N 2.6Å; Y284-E287 PolarHBondContact OH-O 3.09Å; Y284-E287 VanDerWaalsContact OH-O 3.1Å; E287-N294 VanDerWaalsContact CB-O 3.32Å; E287-N294 WeakPolarHBondContact CB-O 3.44Å; E287-N294 PolarHBondContact O-N 3.43Å; E287-F296 PolarHBondContact N-O 2.75Å; E287-F296 PolarHBondContact OE1-N 2.69Å
288W96.3Very high93.3Very high7 Ų736.5 Ų36.53%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-127.8139.6-179.3-66.980.7000109.9Y129 R138 H139 G140 G142 R144 F193 Y284 G286 K292 R293Y129-W288 HydrophobicContact CD2-CZ2 4.02Å; Y129-W288 AromaticContact CE2-CD1 3.95Å; Y129-W288 AromaticContact CE2-CD2 3.98Å; Y129-W288 HydrophobicContact CE2-CD2 3.98Å; Y129-W288 AromaticContact CE2-CE2 3.57Å; Y129-W288 HydrophobicContact CE2-CG 4.2Å; Y129-W288 AromaticContact CE2-CZ2 3.96Å; Y129-W288 HydrophobicContact CE2-CZ2 3.96Å; Y129-W288 AromaticContact CE2-NE1 3.56Å; R138-W288 HydrophobicContact CB-CD2 4.5Å; R138-W288 HydrophobicContact CB-CE3 4.19Å; H139-W288 CarbonylContact C-O 3.55Å; H139-W288 WeakPolarHBondContact CA-O 3.43Å; G140-W288 PolarHBondContact N-O 3.03Å; G140-W288 WeakPolarHBondContact O-CB 3.48Å; G140-W288 PolarHBondContact O-N 3.2Å; G142-W288 PolarHBondContact O-NE1 2.96Å; R144-W288 HydrophobicContact CB-CH2 3.8Å; R144-W288 HydrophobicContact CB-CZ2 3.53Å; R144-W288 HydrophobicContact CG-CH2 4.23Å; R144-W288 HydrophobicContact CG-CZ2 4.45Å; F193-W288 HydrophobicContact CD1-CH2 4.43Å; F193-W288 HydrophobicContact CD1-CZ3 4.3Å; F193-W288 HydrophobicContact CE1-CH2 4.34Å; F193-W288 AromaticContact CE1-CZ3 3.79Å; F193-W288 HydrophobicContact CE1-CZ3 3.79Å; F193-W288 HydrophobicContact CZ-CZ3 4.11Å; Y284-W288 AromaticContact CD1-CE2 3.73Å; Y284-W288 HydrophobicContact CD1-CH2 4.44Å; Y284-W288 AromaticContact CD1-CZ2 3.52Å; Y284-W288 HydrophobicContact CD1-CZ2 3.52Å; Y284-W288 AromaticContact CD1-NE1 3.72Å; Y284-W288 AromaticContact CE1-CE2 3.77Å; Y284-W288 HydrophobicContact CE1-CZ2 4.01Å; Y284-W288 AromaticContact CE1-NE1 3.55Å; G286-W288 VanDerWaalsContact O-CD1 3.3Å; W288-K292 CarbonylContact C-O 3.47Å; W288-K292 WeakPolarHBondContact CA-O 3.33Å; W288-R293 HydrophobicContact CH2-CG 4.24Å; W288-R293 HydrophobicContact CZ2-CG 4.48Å; W288-R293 HydrophobicContact CZ3-CG 4.37Å
289K95.5Very high94.1Very high115 Ų11534 Ų3450%0.518%0.177SC..EExtended strand (participates in β ladder)trans-142.5116172.1-172.9169.4-176.1169.20109.4K292 N294K289-K292 PolarHBondContact N-O 3.02Å; K289-K292 PolarHBondContact O-N 2.95Å; K289-K292 VanDerWaalsContact O-N 3.11Å; K289-N294 HydrophobicContact CB-CB 3.9Å
290N90.8Very high94.6Very high84 Ų8433.9 Ų33.945%0.44917%0.17SC..THydrogen-bonded Turntrans51.761.2176.3-5816.5000111M137 R138 H139 K292M137-N290 HydrophobicContact SD-CB 3.73Å; R138-N290 PolarHBondContact O-N 2.93Å; H139-N290 PolarHBondContact ND1-OD1 3.13Å; H139-N290 VanDerWaalsContact ND1-OD1 3.17Å; N290-K292 PolarHBondContact O-N 3.33Å; N290-K292 VanDerWaalsContact O-N 3.13Å
291D89.1Confident94.8Very high10 Ų1034.2 Ų34.25%0.05317%0.17CC..THydrogen-bonded Turntrans64.70.5-176.2-71.4-31.3000116.9M137 R138 R167 F193M137-D291 WeakPolarHBondContact CA-OD1 3.32Å; R138-D291 IonicContact CZ-OD1 2.7Å; R138-D291 PolarHBondContact N-OD1 2.88Å; R138-D291 IonicContact NE-OD1 3.65Å; R138-D291 IonicContact NH1-OD1 3.48Å; R138-D291 IonicContact NH2-OD1 2.7Å; R138-D291 PolarHBondContact NH2-OD1 3.35Å; R138-D291 PolarHBondContact O-N 3.14Å; R167-D291 IonicContact CZ-OD2 2.75Å; R167-D291 IonicContact NE-OD2 2.73Å; R167-D291 IonicContact NH2-OD2 3.17Å; R167-D291 PolarHBondContact NH2-OD2 3.43Å; F193-D291 WeakPolarHBondContact CE1-O 3.46Å; F193-D291 WeakPolarHBondContact CZ-O 3.49Å
292K91.2Very high95Very high95 Ų9536.4 Ų36.441%0.41319%0.187SC..EExtended strand (participates in β ladder)trans-113142.8-176.2-59.4171.9-169.7175.20112.7W288 K289 N290 N294 N313 N314W288-K292 CarbonylContact C-O 3.47Å; W288-K292 WeakPolarHBondContact CA-O 3.33Å; K289-K292 PolarHBondContact N-O 3.02Å; K289-K292 PolarHBondContact O-N 2.95Å; K289-K292 VanDerWaalsContact O-N 3.11Å; N290-K292 PolarHBondContact O-N 3.33Å; N290-K292 VanDerWaalsContact O-N 3.13Å; K292-N294 PolarHBondContact O-N 3.21Å; K292-N313 HydrophobicContact CD-CB 4.16Å; K292-N314 VanDerWaalsContact CA-OD1 3.23Å; K292-N314 WeakPolarHBondContact CA-OD1 3.28Å
293R94.2Very high94.8Very high3 Ų339 Ų391%0.01120%0.201CC..EExtended strand (participates in β ladder)trans-57.2130.7165.8-53.5-172.7-79.6-149.9-2109.2E282 Y284 W288 W311 N313 N314E282-R293 IonicContact OE1-CZ 3.9Å; E282-R293 IonicContact OE1-NH1 3.32Å; E282-R293 PolarHBondContact OE1-NH1 3.18Å; E282-R293 IonicContact OE1-NH2 2.92Å; Y284-R293 HydrophobicContact CD1-CG 3.86Å; Y284-R293 VanDerWaalsContact CD2-CD 3.43Å; Y284-R293 HydrophobicContact CD2-CG 4.32Å; Y284-R293 HydrophobicContact CE1-CB 4.09Å; Y284-R293 HydrophobicContact CE1-CG 3.7Å; Y284-R293 HydrophobicContact CE2-CB 4.34Å; Y284-R293 HydrophobicContact CE2-CG 4.2Å; Y284-R293 VanDerWaalsContact CG-CD 3.46Å; Y284-R293 HydrophobicContact CG-CG 4.14Å; W288-R293 HydrophobicContact CH2-CG 4.24Å; W288-R293 HydrophobicContact CZ2-CG 4.48Å; W288-R293 HydrophobicContact CZ3-CG 4.37Å; R293-W311 HydrophobicContact CB-CB 4.33Å; R293-W311 HydrophobicContact CB-CD2 4.34Å; R293-W311 HydrophobicContact CB-CE3 4.18Å; R293-W311 HydrophobicContact CB-CG 4.45Å; R293-W311 VanDerWaalsContact NE-CZ3 3.28Å; R293-N313 PolarHBondContact O-N 2.94Å; R293-N314 PolarHBondContact N-OD1 3.1Å; R293-N314 PolarHBondContact NH2-O 3.04Å; R293-N314 PolarHBondContact O-N 3.04Å
294N95.4Very high94.4Very high32 Ų3239.7 Ų39.717%0.17121%0.214CC..EExtended strand (participates in β ladder)trans-148.4-178.3-175.7-137.7-63.3000109.3E287 K289 K292 F296 W311E287-N294 VanDerWaalsContact CB-O 3.32Å; E287-N294 WeakPolarHBondContact CB-O 3.44Å; E287-N294 PolarHBondContact O-N 3.43Å; K289-N294 HydrophobicContact CB-CB 3.9Å; K292-N294 PolarHBondContact O-N 3.21Å; N294-F296 PolarHBondContact O-N 3.15Å; N294-W311 CarbonylContact C-O 3.58Å; N294-W311 VanDerWaalsContact C-O 3.32Å; N294-W311 WeakPolarHBondContact CA-O 3.43Å
295G97.6Very high94Very high22 Ų2240 Ų4023%0.22722%0.216CC..EExtended strand (participates in β ladder)trans54.2-134.317300000113.2E310 W311G295-E310 CarbonylContact O-C 3.54Å; G295-E310 WeakPolarHBondContact O-CA 3.33Å; G295-W311 PolarHBondContact N-O 3.47Å; G295-W311 VanDerWaalsContact N-O 3.14Å; G295-W311 PolarHBondContact O-N 3.31Å
296F98.4Very high93.8Very high73 Ų7340.5 Ų40.532%0.3222%0.217SC..EExtended strand (participates in β ladder)trans-101.5148.7174.5-66-83.5000112.4G286 E287 N294 E310 A362 A369G286-F296 WeakPolarHBondContact CA-O 3.29Å; E287-F296 PolarHBondContact N-O 2.75Å; E287-F296 PolarHBondContact OE1-N 2.69Å; N294-F296 PolarHBondContact O-N 3.15Å; F296-E310 HydrophobicContact CD1-CG 3.92Å; F296-E310 HydrophobicContact CE1-CG 3.45Å; F296-E310 VanDerWaalsContact CE1-CG 3.45Å; F296-E310 HydrophobicContact CZ-CG 4.04Å; F296-A362 HydrophobicContact CE1-CB 4.18Å; F296-A369 HydrophobicContact CB-CB 3.79Å; F296-A369 VanDerWaalsContact O-CB 3.32Å; F296-A369 WeakPolarHBondContact O-CB 3.46Å
297G97.8Very high93.7Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-178.3161.7172.100000115.1M285 G309 W311 A366M285-G297 CarbonylContact O-C 3.55Å; M285-G297 VanDerWaalsContact O-CA 3.31Å; M285-G297 WeakPolarHBondContact O-CA 3.29Å; G297-G309 PolarHBondContact N-O 3.09Å; G297-G309 VanDerWaalsContact N-O 3.1Å; G297-G309 PolarHBondContact O-N 2.82Å; G297-W311 PolarHBondContact O-NE1 3.37Å; G297-A366 WeakPolarHBondContact O-CB 3.29Å
298V98.2Very high93.7Very high9 Ų939.3 Ų39.36%0.05521%0.211CC..EExtended strand (participates in β ladder)trans-102.3136.4175.4177.70000109.1Y284 M285 K306 Y307 E308 A366 A370Y284-V298 CarbonylContact C-O 3.55Å; Y284-V298 WeakPolarHBondContact CA-O 3.27Å; Y284-V298 WeakPolarHBondContact CD2-O 3.44Å; M285-V298 PolarHBondContact N-O 3.49Å; M285-V298 PolarHBondContact O-N 2.91Å; V298-K306 HydrophobicContact CG1-CG 4.17Å; V298-Y307 CarbonylContact C-O 3.5Å; V298-Y307 WeakPolarHBondContact CA-O 3.34Å; V298-E308 HydrophobicContact CG1-CG 4.18Å; V298-E308 HydrophobicContact CG2-CB 4.46Å; V298-E308 HydrophobicContact CG2-CG 4.05Å; V298-A366 HydrophobicContact CG2-CB 4.02Å; V298-A370 HydrophobicContact CB-CB 4.09Å; V298-A370 HydrophobicContact CG2-CB 3.76Å
299S95.9Very high93.7Very high2 Ų239 Ų391%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-117.8136.9163.7-167.70000109T283 K306 Y307T283-S299 CarbonylContact O-C 3.56Å; T283-S299 WeakPolarHBondContact O-CA 3.4Å; S299-K306 CarbonylContact O-C 3.56Å; S299-K306 VanDerWaalsContact O-CA 3.31Å; S299-K306 WeakPolarHBondContact O-CA 3.49Å; S299-Y307 PolarHBondContact N-O 3.04Å; S299-Y307 PolarHBondContact O-N 2.8Å
300E94.9Very high93.8Very high99 Ų9936.1 Ų36.146%0.46320%0.198SC..EExtended strand (participates in β ladder)trans-137.9136.1-175.3-174.2166.9-177.800108.9E282 T283 K306E282-E300 WeakPolarHBondContact CA-O 3.29Å; T283-E300 PolarHBondContact N-O 3.24Å; T283-E300 PolarHBondContact O-N 2.87Å; E300-K306 HydrophobicContact CB-CG 4.42Å
301R90.7Very high94.1Very high9 Ų932.3 Ų32.33%0.03418%0.178CC..EExtended strand (participates in β ladder)trans-111.1149.9178.1-66.6-173.5-172.5163.70.7110.6D274 T280 T281 E282 N303 G304 M305D274-R301 IonicContact OD2-NH1 3.76Å; D274-R301 PolarHBondContact OD2-NH1 3.4Å; T280-R301 HydrophobicContact CG2-CB 4.1Å; T280-R301 HydrophobicContact CG2-CG 4.46Å; T281-R301 CarbonylContact O-C 3.54Å; T281-R301 WeakPolarHBondContact O-CA 3.1Å; E282-R301 HydrophobicContact CB-CG 4.48Å; E282-R301 HydrophobicContact CG-CG 4.48Å; R301-N303 WeakPolarHBondContact CB-OD1 3.43Å; R301-N303 PolarHBondContact O-N 2.83Å; R301-N303 VanDerWaalsContact O-N 3.14Å; R301-G304 PolarHBondContact O-N 3.2Å; R301-M305 HydrophobicContact CB-CB 4.38Å; R301-M305 PolarHBondContact N-O 2.86Å
302S90.9Very high94.4Very high77 Ų7735.1 Ų35.154%0.53819%0.193SC..THydrogen-bonded Turntrans-65.3-13.7175.159.90000114.3T280 T281 G304T280-S302 WeakPolarHBondContact CA-OG 3.29Å; T281-S302 PolarHBondContact N-OG 3.29Å; T281-S302 PolarHBondContact O-N 3.5Å; T281-S302 PolarHBondContact OG1-OG 3.46Å; S302-G304 PolarHBondContact O-N 2.8Å
303N86.2Confident94.4Very high54 Ų5434.7 Ų34.729%0.28920%0.195SC..THydrogen-bonded Turntrans-81.37.6169.180.6-17.9000113.8T280 R301 M305 P325T280-N303 HydrophobicContact CG2-CB 4.4Å; R301-N303 WeakPolarHBondContact CB-OD1 3.43Å; R301-N303 PolarHBondContact O-N 2.83Å; R301-N303 VanDerWaalsContact O-N 3.14Å; N303-M305 VanDerWaalsContact C-N 3.35Å; N303-M305 PolarHBondContact O-N 2.88Å; N303-M305 WeakPolarHBondContact OD1-CB 3.39Å; N303-M305 PolarHBondContact OD1-N 2.77Å; N303-P325 WeakPolarHBondContact O-CB 3.3Å; N303-P325 WeakPolarHBondContact O-CG 3.42Å
304G86.6Confident94.3Very high47 Ų4736.5 Ų36.549%0.48521%0.205SC..SBendtrans87-9179.200000115.1R301 S302 K306R301-G304 PolarHBondContact O-N 3.2Å; S302-G304 PolarHBondContact O-N 2.8Å; G304-K306 PolarHBondContact O-N 2.89Å
305M89.6Confident94.1Very high8 Ų838.6 Ų38.64%0.03921%0.212CC..  trans-70.3133.2176.6-168.1-170.1-7200111.5F197 R301 N303 T322 V323 F324 P325F197-M305 HydrophobicContact CE1-CE 4.31Å; F197-M305 HydrophobicContact CE1-SD 3.94Å; F197-M305 HydrophobicContact CZ-CE 3.74Å; F197-M305 HydrophobicContact CZ-SD 3.57Å; F197-M305 VanDerWaalsContact CZ-SD 3.57Å; R301-M305 HydrophobicContact CB-CB 4.38Å; R301-M305 PolarHBondContact N-O 2.86Å; N303-M305 VanDerWaalsContact C-N 3.35Å; N303-M305 PolarHBondContact O-N 2.88Å; N303-M305 WeakPolarHBondContact OD1-CB 3.39Å; N303-M305 PolarHBondContact OD1-N 2.77Å; M305-T322 HydrophobicContact CG-CG2 4.27Å; M305-V323 WeakPolarHBondContact CA-O 3.48Å; M305-V323 VanDerWaalsContact CG-O 3.32Å; M305-V323 WeakPolarHBondContact CG-O 3.19Å; M305-F324 HydrophobicContact CE-CD1 3.72Å; M305-F324 HydrophobicContact CE-CE1 4.01Å; M305-P325 HydrophobicContact CB-CG 4.21Å
306K95Very high93.9Very high56 Ų5638.3 Ų38.324%0.24320%0.204CC..EExtended strand (participates in β ladder)trans-131.5146.5-178.3-163.2-174.7-178-157.30111.1V298 S299 E300 G304 E308 T322 V323V298-K306 HydrophobicContact CG1-CG 4.17Å; S299-K306 CarbonylContact O-C 3.56Å; S299-K306 VanDerWaalsContact O-CA 3.31Å; S299-K306 WeakPolarHBondContact O-CA 3.49Å; E300-K306 HydrophobicContact CB-CG 4.42Å; G304-K306 PolarHBondContact O-N 2.89Å; K306-E308 HydrophobicContact CD-CG 4.13Å; K306-E308 WeakPolarHBondContact CE-OE1 3.41Å; K306-E308 WeakPolarHBondContact CE-OE2 3.49Å; K306-E308 HydrophobicContact CG-CG 4.2Å; K306-E308 IonicContact NZ-OE1 2.65Å; K306-E308 PolarHBondContact NZ-OE1 3.42Å; K306-E308 IonicContact NZ-OE2 2.92Å; K306-E308 PolarHBondContact NZ-OE2 3.49Å; K306-T322 CarbonylContact O-C 3.58Å; K306-T322 VanDerWaalsContact O-CA 3.24Å; K306-T322 WeakPolarHBondContact O-CA 3.26Å; K306-V323 HydrophobicContact CB-CB 4.41Å; K306-V323 PolarHBondContact N-O 3.41Å; K306-V323 PolarHBondContact O-N 3.45Å
307Y95.8Very high93.6Very high5 Ų537.5 Ų37.52%0.0220%0.201CC..EExtended strand (participates in β ladder)trans-131.4133.2165.9172-104.8000110.6V298 S299 E310 W311 R316 H317 C321 T322 Y334V298-Y307 CarbonylContact C-O 3.5Å; V298-Y307 WeakPolarHBondContact CA-O 3.34Å; S299-Y307 PolarHBondContact N-O 3.04Å; S299-Y307 PolarHBondContact O-N 2.8Å; Y307-E310 PolarHBondContact OH-O 3.29Å; Y307-W311 AromaticContact CD1-CE2 3.76Å; Y307-W311 HydrophobicContact CD1-CH2 4.05Å; Y307-W311 AromaticContact CD1-CZ2 3.43Å; Y307-W311 HydrophobicContact CD1-CZ2 3.43Å; Y307-W311 VanDerWaalsContact CD1-CZ2 3.43Å; Y307-W311 HydrophobicContact CE1-CD2 4.33Å; Y307-W311 AromaticContact CE1-CE2 3.71Å; Y307-W311 HydrophobicContact CE1-CH2 4.5Å; Y307-W311 AromaticContact CE1-CZ2 3.86Å; Y307-W311 HydrophobicContact CE1-CZ2 3.86Å; Y307-W311 AromaticContact CE1-NE1 3.75Å; Y307-R316 HydrophobicContact CD1-CG 3.89Å; Y307-R316 HydrophobicContact CE1-CB 3.98Å; Y307-R316 HydrophobicContact CE1-CG 3.68Å; Y307-R316 HydrophobicContact CE2-CB 4.42Å; Y307-R316 HydrophobicContact CE2-CG 4.32Å; Y307-R316 HydrophobicContact CG-CG 4.29Å; Y307-H317 PolarHBondContact OH-O 3.46Å; Y307-C321 WeakPolarHBondContact CA-O 3.28Å; Y307-C321 WeakPolarHBondContact CD2-O 3.49Å; Y307-T322 VanDerWaalsContact CD2-OG1 3.24Å; Y307-T322 WeakPolarHBondContact CD2-OG1 3.41Å; Y307-Y334 HydrophobicContact CD2-CE2 4.46Å; Y307-Y334 AromaticContact CE2-CD2 3.87Å; Y307-Y334 HydrophobicContact CE2-CD2 3.87Å; Y307-Y334 AromaticContact CE2-CE2 3.68Å; Y307-Y334 HydrophobicContact CE2-CE2 3.68Å; Y307-Y334 HydrophobicContact CE2-CG 4.45Å
308E97.7Very high93.5Very high18 Ų1837.7 Ų37.78%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-128.1115.2-179.9-52.7-172.284.600108.3V298 K306 G320 C321 V363 A366 Q367V298-E308 HydrophobicContact CG1-CG 4.18Å; V298-E308 HydrophobicContact CG2-CB 4.46Å; V298-E308 HydrophobicContact CG2-CG 4.05Å; K306-E308 HydrophobicContact CD-CG 4.13Å; K306-E308 WeakPolarHBondContact CE-OE1 3.41Å; K306-E308 WeakPolarHBondContact CE-OE2 3.49Å; K306-E308 HydrophobicContact CG-CG 4.2Å; K306-E308 IonicContact NZ-OE1 2.65Å; K306-E308 PolarHBondContact NZ-OE1 3.42Å; K306-E308 IonicContact NZ-OE2 2.92Å; K306-E308 PolarHBondContact NZ-OE2 3.49Å; E308-G320 CarbonylContact O-C 3.44Å; E308-G320 WeakPolarHBondContact O-CA 3.5Å; E308-C321 PolarHBondContact N-O 2.95Å; E308-C321 PolarHBondContact O-N 2.97Å; E308-V363 HydrophobicContact CB-CB 4.41Å; E308-V363 HydrophobicContact CB-CG1 4.02Å; E308-V363 HydrophobicContact CB-CG2 4.16Å; E308-A366 HydrophobicContact CB-CB 4.15Å; E308-Q367 WeakPolarHBondContact OE1-CG 3.44Å; E308-Q367 PolarHBondContact OE1-NE2 3.49Å
309G96.9Very high93.4Very high0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans169.5-156.5179.400000115.2G297 Y319 A366G297-G309 PolarHBondContact N-O 3.09Å; G297-G309 VanDerWaalsContact N-O 3.1Å; G297-G309 PolarHBondContact O-N 2.82Å; G309-Y319 WeakPolarHBondContact CA-O 3.15Å; G309-A366 VanDerWaalsContact N-CB 3.32Å
310E97.8Very high93.4Very high55 Ų5539.4 Ų39.426%0.25721%0.209SC..EExtended strand (participates in β ladder)trans-83.1144.5178.9-69.4171.5-109.300112.9G295 F296 Y307 H317 G318 Y319G295-E310 CarbonylContact O-C 3.54Å; G295-E310 WeakPolarHBondContact O-CA 3.33Å; F296-E310 HydrophobicContact CD1-CG 3.92Å; F296-E310 HydrophobicContact CE1-CG 3.45Å; F296-E310 VanDerWaalsContact CE1-CG 3.45Å; F296-E310 HydrophobicContact CZ-CG 4.04Å; Y307-E310 PolarHBondContact OH-O 3.29Å; E310-H317 PolarHBondContact O-N 3.37Å; E310-G318 VanDerWaalsContact CD-CA 3.49Å; E310-G318 WeakPolarHBondContact OE1-CA 3.41Å; E310-G318 WeakPolarHBondContact OE2-CA 3.48Å; E310-Y319 PolarHBondContact N-O 3.13Å; E310-Y319 PolarHBondContact OE1-N 2.78Å
311W96.2Very high93.4Very high5 Ų535.4 Ų35.42%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-127.6142.8-179.9-64.882.5000111.3L195 Y284 R293 N294 G295 G297 Y307 R316L195-W311 HydrophobicContact CD1-CH2 4.47Å; L195-W311 HydrophobicContact CD2-CH2 3.98Å; L195-W311 HydrophobicContact CD2-CZ3 4Å; Y284-W311 HydrophobicContact CD2-CH2 4.43Å; Y284-W311 AromaticContact CD2-CZ2 3.88Å; Y284-W311 HydrophobicContact CD2-CZ2 3.88Å; Y284-W311 HydrophobicContact CE2-CD2 4.03Å; Y284-W311 AromaticContact CE2-CE2 3.51Å; Y284-W311 HydrophobicContact CE2-CG 4.27Å; Y284-W311 AromaticContact CE2-CZ2 3.76Å; Y284-W311 HydrophobicContact CE2-CZ2 3.76Å; Y284-W311 AromaticContact CE2-NE1 3.57Å; R293-W311 HydrophobicContact CB-CB 4.33Å; R293-W311 HydrophobicContact CB-CD2 4.34Å; R293-W311 HydrophobicContact CB-CE3 4.18Å; R293-W311 HydrophobicContact CB-CG 4.45Å; R293-W311 VanDerWaalsContact NE-CZ3 3.28Å; N294-W311 CarbonylContact C-O 3.58Å; N294-W311 VanDerWaalsContact C-O 3.32Å; N294-W311 WeakPolarHBondContact CA-O 3.43Å; G295-W311 PolarHBondContact N-O 3.47Å; G295-W311 VanDerWaalsContact N-O 3.14Å; G295-W311 PolarHBondContact O-N 3.31Å; G297-W311 PolarHBondContact O-NE1 3.37Å; Y307-W311 AromaticContact CD1-CE2 3.76Å; Y307-W311 HydrophobicContact CD1-CH2 4.05Å; Y307-W311 AromaticContact CD1-CZ2 3.43Å; Y307-W311 HydrophobicContact CD1-CZ2 3.43Å; Y307-W311 VanDerWaalsContact CD1-CZ2 3.43Å; Y307-W311 HydrophobicContact CE1-CD2 4.33Å; Y307-W311 AromaticContact CE1-CE2 3.71Å; Y307-W311 HydrophobicContact CE1-CH2 4.5Å; Y307-W311 AromaticContact CE1-CZ2 3.86Å; Y307-W311 HydrophobicContact CE1-CZ2 3.86Å; Y307-W311 AromaticContact CE1-NE1 3.75Å; W311-R316 HydrophobicContact CH2-CG 4.45Å; W311-R316 HydrophobicContact CZ3-CG 4.25Å
312L95.8Very high93.4Very high69 Ų6935 Ų3536%0.36119%0.19SC..EExtended strand (participates in β ladder)trans-141.6117172.6-17562000109.9N314 K315 H317L312-N314 PolarHBondContact O-N 2.85Å; L312-K315 PolarHBondContact N-O 3.11Å; L312-K315 PolarHBondContact O-N 2.94Å; L312-K315 VanDerWaalsContact O-N 3.09Å; L312-H317 HydrophobicContact CB-CB 3.77Å
313N91.7Very high93.5Very high85 Ų8532.7 Ų32.746%0.45517%0.173SC..THydrogen-bonded Turntrans50.756.3176.9-65.3-48.2000112.9K292 R293 K315K292-N313 HydrophobicContact CD-CB 4.16Å; R293-N313 PolarHBondContact O-N 2.94Å; N313-K315 PolarHBondContact O-N 3.2Å; N313-K315 VanDerWaalsContact O-N 3.15Å
314N91.4Very high93.7Very high42 Ų4232.3 Ų32.323%0.22517%0.168CC..THydrogen-bonded Turntrans69-10.2-176-63.7-22.8000117.2F193 K292 R293 L312F193-N314 WeakPolarHBondContact CD1-OD1 3.34Å; F193-N314 VanDerWaalsContact CE1-ND2 3.28Å; F193-N314 WeakPolarHBondContact CE1-ND2 3.4Å; F193-N314 VanDerWaalsContact CE1-OD1 3.26Å; F193-N314 WeakPolarHBondContact CE1-OD1 3.46Å; K292-N314 VanDerWaalsContact CA-OD1 3.23Å; K292-N314 WeakPolarHBondContact CA-OD1 3.28Å; R293-N314 PolarHBondContact N-OD1 3.1Å; R293-N314 PolarHBondContact NH2-O 3.04Å; R293-N314 PolarHBondContact O-N 3.04Å; L312-N314 PolarHBondContact O-N 2.85Å
315K90.9Very high93.9Very high76 Ų7633.3 Ų33.333%0.3317%0.167SC..EExtended strand (participates in β ladder)trans-99.9145-177.9-58.7-168.6178.7-164.40111.7D200 L312 N313 N336 N337D200-K315 IonicContact OD2-NZ 3.33Å; D200-K315 PolarHBondContact OD2-NZ 3.26Å; L312-K315 PolarHBondContact N-O 3.11Å; L312-K315 PolarHBondContact O-N 2.94Å; L312-K315 VanDerWaalsContact O-N 3.09Å; N313-K315 PolarHBondContact O-N 3.2Å; N313-K315 VanDerWaalsContact O-N 3.15Å; K315-N336 HydrophobicContact CD-CB 4.33Å; K315-N337 WeakPolarHBondContact CA-OD1 3.35Å; K315-N337 WeakPolarHBondContact CB-OD1 3.47Å
316R92.9Very high93.8Very high15 Ų1538.1 Ų38.16%0.05719%0.192CC..EExtended strand (participates in β ladder)trans-59.5133.4170-54.8-174.2-71.9-168.9-3.8109Y307 W311 T322 Y334 N336 N337Y307-R316 HydrophobicContact CD1-CG 3.89Å; Y307-R316 HydrophobicContact CE1-CB 3.98Å; Y307-R316 HydrophobicContact CE1-CG 3.68Å; Y307-R316 HydrophobicContact CE2-CB 4.42Å; Y307-R316 HydrophobicContact CE2-CG 4.32Å; Y307-R316 HydrophobicContact CG-CG 4.29Å; W311-R316 HydrophobicContact CH2-CG 4.45Å; W311-R316 HydrophobicContact CZ3-CG 4.25Å; R316-T322 PolarHBondContact NH1-OG1 3.06Å; R316-Y334 HydrophobicContact CB-CD1 4.09Å; R316-Y334 HydrophobicContact CB-CG 4.17Å; R316-N336 PolarHBondContact O-N 2.91Å; R316-N337 PolarHBondContact N-OD1 2.97Å; R316-N337 PolarHBondContact NE-O 3.23Å; R316-N337 PolarHBondContact NH2-O 2.88Å; R316-N337 PolarHBondContact O-N 2.99Å; R316-N337 VanDerWaalsContact O-N 3.15Å
317H93.1Very high93.5Very high56 Ų5639.9 Ų39.926%0.25921%0.212SC..EExtended strand (participates in β ladder)trans-141.7-177.3-174-159.175.4000110.9Y307 E310 L312 Y319 Y334Y307-H317 PolarHBondContact OH-O 3.46Å; E310-H317 PolarHBondContact O-N 3.37Å; L312-H317 HydrophobicContact CB-CB 3.77Å; H317-Y319 PolarHBondContact O-N 3.13Å; H317-Y334 CarbonylContact C-O 3.37Å
318G94.8Very high93.2Very high4 Ų443 Ų434%0.04123%0.232CC..EExtended strand (participates in β ladder)trans55.7-132.3166.100000112.8E310 K333 Y334E310-G318 VanDerWaalsContact CD-CA 3.49Å; E310-G318 WeakPolarHBondContact OE1-CA 3.41Å; E310-G318 WeakPolarHBondContact OE2-CA 3.48Å; G318-K333 CarbonylContact O-C 3.55Å; G318-K333 VanDerWaalsContact O-CA 3.23Å; G318-K333 WeakPolarHBondContact O-CA 3.26Å; G318-K333 WeakPolarHBondContact O-CG 3.49Å; G318-Y334 PolarHBondContact N-O 3.22Å; G318-Y334 VanDerWaalsContact N-O 3.17Å; G318-Y334 PolarHBondContact O-N 2.9Å
319Y96.3Very high92.8Very high48 Ų4848.9 Ų48.919%0.18826%0.257CS..EExtended strand (participates in β ladder)trans-107.8152.3170.2-63.9-89.8000111.6G309 E310 H317 G332 K333 T355 K358 V359 A362G309-Y319 WeakPolarHBondContact CA-O 3.15Å; E310-Y319 PolarHBondContact N-O 3.13Å; E310-Y319 PolarHBondContact OE1-N 2.78Å; H317-Y319 PolarHBondContact O-N 3.13Å; Y319-G332 WeakPolarHBondContact CA-O 3.47Å; Y319-K333 HydrophobicContact CD1-CB 4.15Å; Y319-K333 HydrophobicContact CD1-CG 4.46Å; Y319-K333 HydrophobicContact CE1-CB 3.93Å; Y319-K333 HydrophobicContact CE1-CG 4.19Å; Y319-T355 HydrophobicContact CE1-CG2 4.33Å; Y319-K358 HydrophobicContact CD1-CB 3.79Å; Y319-K358 HydrophobicContact CD2-CB 4.05Å; Y319-K358 HydrophobicContact CD2-CD 4.49Å; Y319-K358 HydrophobicContact CE1-CB 3.89Å; Y319-K358 HydrophobicContact CE1-CD 4.02Å; Y319-K358 HydrophobicContact CE2-CB 4.15Å; Y319-K358 HydrophobicContact CE2-CD 3.79Å; Y319-K358 HydrophobicContact CG-CB 3.87Å; Y319-V359 HydrophobicContact CD1-CG2 4.24Å; Y319-A362 WeakPolarHBondContact O-CB 3.39Å
320G95.4Very high92.5Very high0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans178.8-179.3175.500000113.4E308 G332 V359E308-G320 CarbonylContact O-C 3.44Å; E308-G320 WeakPolarHBondContact O-CA 3.5Å; G320-G332 PolarHBondContact N-O 3.02Å; G320-G332 VanDerWaalsContact N-O 3.09Å; G320-G332 PolarHBondContact O-N 3.24Å; G320-V359 WeakPolarHBondContact O-CG1 3.47Å
321C94.9Very high92.2Very high14 Ų1450.1 Ų50.110%0.09526%0.262CS..EExtended strand (participates in β ladder)trans-134.1126.7179-173.90000110Y307 E308 E330 E331 V359 V363Y307-C321 WeakPolarHBondContact CA-O 3.28Å; Y307-C321 WeakPolarHBondContact CD2-O 3.49Å; E308-C321 PolarHBondContact N-O 2.95Å; E308-C321 PolarHBondContact O-N 2.97Å; C321-E330 CarbonylContact C-O 3.32Å; C321-E330 VanDerWaalsContact CA-O 3.32Å; C321-E330 WeakPolarHBondContact CA-O 3.36Å; C321-E331 HydrophobicContact CB-CB 4.44Å; C321-V359 HydrophobicContact CB-CG1 4.01Å; C321-V363 HydrophobicContact CB-CG2 3.8Å
322T92.4Very high92Very high1 Ų150 Ų501%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-96.8131.3162.9-77.20000109.4M305 K306 Y307 R316 F324 K329 E330M305-T322 HydrophobicContact CG-CG2 4.27Å; K306-T322 CarbonylContact O-C 3.58Å; K306-T322 VanDerWaalsContact O-CA 3.24Å; K306-T322 WeakPolarHBondContact O-CA 3.26Å; Y307-T322 VanDerWaalsContact CD2-OG1 3.24Å; Y307-T322 WeakPolarHBondContact CD2-OG1 3.41Å; R316-T322 PolarHBondContact NH1-OG1 3.06Å; T322-F324 HydrophobicContact CG2-CD2 3.84Å; T322-F324 HydrophobicContact CG2-CE1 4.23Å; T322-F324 HydrophobicContact CG2-CE2 3.49Å; T322-F324 VanDerWaalsContact CG2-CE2 3.49Å; T322-F324 HydrophobicContact CG2-CG 4.33Å; T322-F324 HydrophobicContact CG2-CZ 3.71Å; T322-K329 CarbonylContact O-C 3.56Å; T322-K329 VanDerWaalsContact O-CA 3.29Å; T322-K329 WeakPolarHBondContact O-CA 3.33Å; T322-E330 PolarHBondContact N-O 2.97Å; T322-E330 PolarHBondContact O-N 3.31Å
323V92.8Very high91.9Very high29 Ų2951.7 Ų51.718%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-104.3129.1166.8-171.10000107.5M305 K306 T328 K329M305-V323 WeakPolarHBondContact CA-O 3.48Å; M305-V323 VanDerWaalsContact CG-O 3.32Å; M305-V323 WeakPolarHBondContact CG-O 3.19Å; K306-V323 HydrophobicContact CB-CB 4.41Å; K306-V323 PolarHBondContact N-O 3.41Å; K306-V323 PolarHBondContact O-N 3.45Å; V323-T328 WeakPolarHBondContact CA-O 3.24Å; V323-K329 HydrophobicContact CG1-CG 4.26Å; V323-K329 HydrophobicContact CG2-CD 4.16Å; V323-K329 HydrophobicContact CG2-CG 4.15Å
324F90.5Very high91.8Very high45 Ų4547.6 Ų47.620%0.19725%0.246CC..  trans-94.3164.5-179.7-70.4-95.5000111.5M305 T322 D326 S327 T328 E330M305-F324 HydrophobicContact CE-CD1 3.72Å; M305-F324 HydrophobicContact CE-CE1 4.01Å; T322-F324 HydrophobicContact CG2-CD2 3.84Å; T322-F324 HydrophobicContact CG2-CE1 4.23Å; T322-F324 HydrophobicContact CG2-CE2 3.49Å; T322-F324 VanDerWaalsContact CG2-CE2 3.49Å; T322-F324 HydrophobicContact CG2-CG 4.33Å; T322-F324 HydrophobicContact CG2-CZ 3.71Å; F324-D326 WeakPolarHBondContact CB-OD1 3.11Å; F324-D326 PolarHBondContact O-N 3.47Å; F324-S327 WeakPolarHBondContact O-CA 3.21Å; F324-S327 PolarHBondContact O-N 2.99Å; F324-T328 PolarHBondContact N-O 2.96Å; F324-E330 HydrophobicContact CE2-CB 3.98Å; F324-E330 HydrophobicContact CE2-CG 3.81Å; F324-E330 HydrophobicContact CZ-CG 4.36Å
325P89.2Confident91.9Very high69 Ų6951.8 Ų51.845%0.44826%0.262SS..THydrogen-bonded Turntrans-58.8-30.2178.7-25.736.1000113.9N303 M305 S327N303-P325 WeakPolarHBondContact O-CB 3.3Å; N303-P325 WeakPolarHBondContact O-CG 3.42Å; M305-P325 HydrophobicContact CB-CG 4.21Å; P325-S327 PolarHBondContact O-N 3.29Å
326D88.8Confident91.8Very high108 Ų10852.1 Ų52.158%0.57827%0.267SS*.THydrogen-bonded Turntrans-74.47.317368.8-3.4000113.9F324 T328F324-D326 WeakPolarHBondContact CB-OD1 3.11Å; F324-D326 PolarHBondContact O-N 3.47Å; D326-T328 VanDerWaalsContact CG-CG2 3.46Å; D326-T328 VanDerWaalsContact CG-OG1 3.32Å; D326-T328 PolarHBondContact O-N 2.97Å; D326-T328 VanDerWaalsContact OD1-CB 3.27Å; D326-T328 WeakPolarHBondContact OD1-CB 3.1Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.44Å; D326-T328 PolarHBondContact OD1-N 3.4Å; D326-T328 PolarHBondContact OD1-OG1 3.14Å; D326-T328 WeakPolarHBondContact OD2-CG2 3.43Å; D326-T328 PolarHBondContact OD2-OG1 2.93Å
327S87.6Confident91.6Very high93 Ų9352 Ų5265%0.6527%0.268SS*.SBendtrans63.46.9-173.4-59.60000116.1F324 P325F324-S327 WeakPolarHBondContact O-CA 3.21Å; F324-S327 PolarHBondContact O-N 2.99Å; P325-S327 PolarHBondContact O-N 3.29Å
328T89.8Confident91.2Very high71 Ų7152.4 Ų52.444%0.43627%0.274SS..  trans-68.6159.9170.868.20000111V323 F324 D326V323-T328 WeakPolarHBondContact CA-O 3.24Å; F324-T328 PolarHBondContact N-O 2.96Å; D326-T328 VanDerWaalsContact CG-CG2 3.46Å; D326-T328 VanDerWaalsContact CG-OG1 3.32Å; D326-T328 PolarHBondContact O-N 2.97Å; D326-T328 VanDerWaalsContact OD1-CB 3.27Å; D326-T328 WeakPolarHBondContact OD1-CB 3.1Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.44Å; D326-T328 PolarHBondContact OD1-N 3.4Å; D326-T328 PolarHBondContact OD1-OG1 3.14Å; D326-T328 WeakPolarHBondContact OD2-CG2 3.43Å; D326-T328 PolarHBondContact OD2-OG1 2.93Å
329K90.3Very high90.8Very high142 Ų14253.6 Ų53.662%0.61728%0.279SS*.EExtended strand (participates in β ladder)trans-135.4123.6-172.7-59.2-170-179.8-179.20112.4T322 V323T322-K329 CarbonylContact O-C 3.56Å; T322-K329 VanDerWaalsContact O-CA 3.29Å; T322-K329 WeakPolarHBondContact O-CA 3.33Å; V323-K329 HydrophobicContact CG1-CG 4.26Å; V323-K329 HydrophobicContact CG2-CD 4.16Å; V323-K329 HydrophobicContact CG2-CG 4.15Å
330E89.6Confident90.4Very high39 Ų3955.4 Ų55.418%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-99.4101.5166.4-84.7-158.1136.900109.9C321 T322 F324 Y334 L339 R341C321-E330 CarbonylContact C-O 3.32Å; C321-E330 VanDerWaalsContact CA-O 3.32Å; C321-E330 WeakPolarHBondContact CA-O 3.36Å; T322-E330 PolarHBondContact N-O 2.97Å; T322-E330 PolarHBondContact O-N 3.31Å; F324-E330 HydrophobicContact CE2-CB 3.98Å; F324-E330 HydrophobicContact CE2-CG 3.81Å; F324-E330 HydrophobicContact CZ-CG 4.36Å; E330-Y334 PolarHBondContact O-OH 3.49Å; E330-Y334 VanDerWaalsContact O-OH 3.1Å; E330-L339 HydrophobicContact CB-CD2 4.08Å; E330-L339 HydrophobicContact CG-CD2 4.05Å; E330-L339 WeakPolarHBondContact OE1-CD2 3.38Å; E330-R341 IonicContact OE1-CZ 3.47Å; E330-R341 IonicContact OE1-NE 3.44Å; E330-R341 PolarHBondContact OE1-NE 3.13Å; E330-R341 IonicContact OE1-NH2 2.68Å; E330-R341 PolarHBondContact OE1-NH2 3.43Å
331E92.1Very high89.2Confident41 Ų4164 Ų6419%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-102.1140.3171.648.8171-121.800111.6C321 L350 K356 V359C321-E331 HydrophobicContact CB-CB 4.44Å; E331-L350 HydrophobicContact CG-CD1 4.23Å; E331-L350 HydrophobicContact CG-CD2 4.23Å; E331-L350 WeakPolarHBondContact O-CD2 3.47Å; E331-K356 IonicContact OE2-NZ 2.71Å; E331-V359 HydrophobicContact CB-CG1 3.95Å; E331-V359 HydrophobicContact CB-CG2 4.33Å
332G91.4Very high87.4Confident4 Ų466.4 Ų66.44%0.04136%0.355CS..EExtended strand (participates in β ladder)trans156.9-148.7170.100000114.6Y319 G320Y319-G332 WeakPolarHBondContact CA-O 3.47Å; G320-G332 PolarHBondContact N-O 3.02Å; G320-G332 VanDerWaalsContact N-O 3.09Å; G320-G332 PolarHBondContact O-N 3.24Å
333K93.5Very high85.4Confident103 Ų10374.6 Ų74.645%0.44840%0.397SS..EExtended strand (participates in β ladder)trans-98.8122.1-179.6-166.4-178.1-179.7169.20110.7G318 Y319 V340G318-K333 CarbonylContact O-C 3.55Å; G318-K333 VanDerWaalsContact O-CA 3.23Å; G318-K333 WeakPolarHBondContact O-CA 3.26Å; G318-K333 WeakPolarHBondContact O-CG 3.49Å; Y319-K333 HydrophobicContact CD1-CB 4.15Å; Y319-K333 HydrophobicContact CD1-CG 4.46Å; Y319-K333 HydrophobicContact CE1-CB 3.93Å; Y319-K333 HydrophobicContact CE1-CG 4.19Å; K333-V340 WeakPolarHBondContact O-CB 3.35Å; K333-V340 WeakPolarHBondContact O-CG2 3.28Å; K333-V340 PolarHBondContact O-N 3.42Å
334Y90.9Very high83.1Confident0 Ų084.5 Ų84.50%043%0.431CS..EExtended strand (participates in β ladder)trans-97.6146.7176.2-72-92.9000111.9Y307 R316 H317 G318 E330 V338 L339Y307-Y334 HydrophobicContact CD2-CE2 4.46Å; Y307-Y334 AromaticContact CE2-CD2 3.87Å; Y307-Y334 HydrophobicContact CE2-CD2 3.87Å; Y307-Y334 AromaticContact CE2-CE2 3.68Å; Y307-Y334 HydrophobicContact CE2-CE2 3.68Å; Y307-Y334 HydrophobicContact CE2-CG 4.45Å; R316-Y334 HydrophobicContact CB-CD1 4.09Å; R316-Y334 HydrophobicContact CB-CG 4.17Å; H317-Y334 CarbonylContact C-O 3.37Å; G318-Y334 PolarHBondContact N-O 3.22Å; G318-Y334 VanDerWaalsContact N-O 3.17Å; G318-Y334 PolarHBondContact O-N 2.9Å; E330-Y334 PolarHBondContact O-OH 3.49Å; E330-Y334 VanDerWaalsContact O-OH 3.1Å; Y334-V338 CarbonylContact C-O 3.58Å; Y334-V338 WeakPolarHBondContact CA-O 3.43Å; Y334-L339 HydrophobicContact CD1-CB 4.21Å; Y334-L339 HydrophobicContact CD2-CD1 4.22Å; Y334-L339 HydrophobicContact CE1-CB 3.8Å; Y334-L339 HydrophobicContact CE1-CD1 4.23Å; Y334-L339 HydrophobicContact CE2-CD1 3.83Å
335K92.6Very high80.8Confident129 Ų12992 Ų9256%0.56146%0.464SS*.EExtended strand (participates in β ladder)trans-143.7118.6168.3-174.6-175.8177.6-171.60108.7V338 V340K335-V338 PolarHBondContact N-O 2.78Å; K335-V338 PolarHBondContact O-N 3.28Å; K335-V338 VanDerWaalsContact O-N 3.16Å; K335-V340 HydrophobicContact CB-CG2 3.89Å
336N88.3Confident78.4Confident83 Ų8396.1 Ų96.144%0.44448%0.477SS..THydrogen-bonded Turntrans54.155.6177.9-58.1-3.1000112.3K315 R316 V338K315-N336 HydrophobicContact CD-CB 4.33Å; R316-N336 PolarHBondContact O-N 2.91Å; N336-V338 PolarHBondContact O-N 3.02Å
337N88.6Confident76.2Confident13 Ų1398.9 Ų98.97%0.0749%0.491CS..THydrogen-bonded Turntrans68.7-20.6-173.5-65-12.8000116.7N196 K315 R316N196-N337 PolarHBondContact O-ND2 3.13Å; K315-N337 WeakPolarHBondContact CA-OD1 3.35Å; K315-N337 WeakPolarHBondContact CB-OD1 3.47Å; R316-N337 PolarHBondContact N-OD1 2.97Å; R316-N337 PolarHBondContact NE-O 3.23Å; R316-N337 PolarHBondContact NH2-O 2.88Å; R316-N337 PolarHBondContact O-N 2.99Å; R316-N337 VanDerWaalsContact O-N 3.15Å
338V85.4Confident74.2Confident64 Ų64100 Ų10039%0.38849%0.488SS..EExtended strand (participates in β ladder)trans-87.6133.7-177.2-176.30000111.7Y334 K335 N336Y334-V338 CarbonylContact C-O 3.58Å; Y334-V338 WeakPolarHBondContact CA-O 3.43Å; K335-V338 PolarHBondContact N-O 2.78Å; K335-V338 PolarHBondContact O-N 3.28Å; K335-V338 VanDerWaalsContact O-N 3.16Å; N336-V338 PolarHBondContact O-N 3.02Å
339L87.5Confident72.5Confident29 Ų29101.4 Ų101.415%0.15250%0.498CS..EExtended strand (participates in β ladder)trans-72.9122.2168.5-179.869.1000109.6E330 Y334 R341E330-L339 HydrophobicContact CB-CD2 4.08Å; E330-L339 HydrophobicContact CG-CD2 4.05Å; E330-L339 WeakPolarHBondContact OE1-CD2 3.38Å; Y334-L339 HydrophobicContact CD1-CB 4.21Å; Y334-L339 HydrophobicContact CD2-CD1 4.22Å; Y334-L339 HydrophobicContact CE1-CB 3.8Å; Y334-L339 HydrophobicContact CE1-CD1 4.23Å; Y334-L339 HydrophobicContact CE2-CD1 3.83Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 HydrophobicContact CD2-CG 4.09Å; L339-R341 HydrophobicContact CG-CG 4.28Å; L339-R341 PolarHBondContact O-N 3.38Å
340V86.6Confident70.7Confident87 Ų8797.9 Ų97.953%0.52749%0.486SS..  trans-78.575.3-178.6-172.10000110.1K333 K335K333-V340 WeakPolarHBondContact O-CB 3.35Å; K333-V340 WeakPolarHBondContact O-CG2 3.28Å; K333-V340 PolarHBondContact O-N 3.42Å; K335-V340 HydrophobicContact CB-CG2 3.89Å
341R71.3Confident69Low181 Ų181104.8 Ų104.868%0.68352%0.515SS*.  trans-63.2131.4170.9-64-175.1179.9-170.52.2109.5E330 L339E330-R341 IonicContact OE1-CZ 3.47Å; E330-R341 IonicContact OE1-NE 3.44Å; E330-R341 PolarHBondContact OE1-NE 3.13Å; E330-R341 IonicContact OE1-NH2 2.68Å; E330-R341 PolarHBondContact OE1-NH2 3.43Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 HydrophobicContact CD2-CG 4.09Å; L339-R341 HydrophobicContact CG-CG 4.28Å; L339-R341 PolarHBondContact O-N 3.38Å
342G57.2Low67.8Low63 Ų63107.6 Ų107.665%0.64953%0.531SS*.  trans-69.4150.1178.700000112.4R344G342-R344 PolarHBondContact O-N 3.36Å
343I50.7Low67.2Low174 Ų174112 Ų11289%0.89256%0.559SS**SBendtrans-61.2-15.7-171-63.6170.3000114K345I343-K345 PolarHBondContact O-N 3.02Å
344R43.9Very low66.8Low236 Ų236114.7 Ų114.789%0.89157%0.571SS**  trans-72.498.1172-78.8-174.5168.4174.6-3.8110.5G342 Q346G342-R344 PolarHBondContact O-N 3.36Å; R344-Q346 PolarHBondContact O-N 2.85Å
345K41.5Very low66.5Low204 Ų204116.5 Ų116.589%0.88758%0.582SS**  trans-6465.9171.4-63.9-173.5175.3-170.10112.9I343I343-K345 PolarHBondContact O-N 3.02Å
346Q39.1Very low66.3Low155 Ų155114.5 Ų114.572%0.72457%0.574SS**SBendtrans-138.1134.7165.9-76.9-60.4-1200109.9R344 I348R344-Q346 PolarHBondContact O-N 2.85Å; Q346-I348 HydrophobicContact CB-CD1 4.44Å; Q346-I348 HydrophobicContact CB-CG1 4.32Å; Q346-I348 PolarHBondContact O-N 2.93Å
347L42.5Very low66.5Low166 Ų166115.1 Ų115.187%0.86957%0.574SS**  trans-79.265.6-170.9-161.181000111.4P349L347-P349 WeakPolarHBondContact O-CD 3.35Å
348I46.7Very low66.8Low116 Ų116119.1 Ų119.160%0.59559%0.59SS**  trans-96.3107.9177.9-55.5176.3000108Q346 K351Q346-I348 HydrophobicContact CB-CD1 4.44Å; Q346-I348 HydrophobicContact CB-CG1 4.32Å; Q346-I348 PolarHBondContact O-N 2.93Å; I348-K351 HydrophobicContact CG2-CB 4.25Å; I348-K351 HydrophobicContact CG2-CD 4.25Å; I348-K351 HydrophobicContact CG2-CG 4.28Å
349P52.5Low67.3Low101 Ų101116.1 Ų116.166%0.65657%0.572SS**  trans-58145.3170.825.9-34000109.2L347 K351L347-P349 WeakPolarHBondContact O-CD 3.35Å; P349-K351 VanDerWaalsContact C-N 3.31Å; P349-K351 PolarHBondContact O-N 2.87Å
350L53.5Low67.6Low67 Ų67118.1 Ų118.135%0.35158%0.583SS.*  trans-57.376.5-153.9-80.268.3000115.9E331 N352 T355E331-L350 HydrophobicContact CG-CD1 4.23Å; E331-L350 HydrophobicContact CG-CD2 4.23Å; E331-L350 WeakPolarHBondContact O-CD2 3.47Å; L350-N352 PolarHBondContact O-N 3.43Å; L350-T355 HydrophobicContact CD2-CG2 3.8Å
351K53.5Low68.1Low185 Ų185120.1 Ų120.180%0.80458%0.581SS**  trans-72.529.5171.7-73.2-173.7177.1-177.70113.2I348 P349I348-K351 HydrophobicContact CG2-CB 4.25Å; I348-K351 HydrophobicContact CG2-CD 4.25Å; I348-K351 HydrophobicContact CG2-CG 4.28Å; P349-K351 VanDerWaalsContact C-N 3.31Å; P349-K351 PolarHBondContact O-N 2.87Å
352N67.9Low69.3Low99 Ų99111.6 Ų111.653%0.52955%0.55SS..  trans-121.188.6177.9-160.7-7.9000108.4L350 K354 T355 K356L350-N352 PolarHBondContact O-N 3.43Å; N352-K354 PolarHBondContact O-N 3.05Å; N352-K354 VanDerWaalsContact O-N 3.11Å; N352-T355 WeakPolarHBondContact O-CB 3.17Å; N352-T355 PolarHBondContact O-N 3.31Å; N352-K356 PolarHBondContact O-N 2.89Å
353P77.8Confident71.2Confident96 Ų96109.8 Ų109.862%0.62353%0.526SS*.Hα-helixtrans-60.8-32-160.620.9-32.9000113.4T355 K356 E357P353-T355 PolarHBondContact O-N 3.15Å; P353-K356 PolarHBondContact O-N 2.81Å; P353-E357 WeakPolarHBondContact O-CB 3.24Å; P353-E357 PolarHBondContact O-N 3.42Å
354K85.5Confident73.5Confident160 Ų160106 Ų10670%0.69651%0.505SS*.Hα-helixtrans-65.7-17176.5-62.4-176.7179.9-179.30114.4N352 K358N352-K354 PolarHBondContact O-N 3.05Å; N352-K354 VanDerWaalsContact O-N 3.11Å; K354-K358 WeakPolarHBondContact O-CG 3.47Å
355T85Confident76.1Confident38 Ų3895.1 Ų95.123%0.23347%0.466CS..Hα-helixtrans-86.9-44.9171.7-57.40000110.1Y319 L350 N352 P353 K358 V359Y319-T355 HydrophobicContact CE1-CG2 4.33Å; L350-T355 HydrophobicContact CD2-CG2 3.8Å; N352-T355 WeakPolarHBondContact O-CB 3.17Å; N352-T355 PolarHBondContact O-N 3.31Å; P353-T355 PolarHBondContact O-N 3.15Å; T355-K358 WeakPolarHBondContact O-CB 3.42Å; T355-K358 PolarHBondContact O-N 2.93Å; T355-K358 VanDerWaalsContact O-N 3.13Å; T355-V359 PolarHBondContact O-N 2.71Å; T355-V359 VanDerWaalsContact O-N 3.1Å
356K88.1Confident78.8Confident88 Ų8885.4 Ų85.438%0.38342%0.424SS..Hα-helixtrans-60.4-48.3178.5-179.9162.9-177.9159.50111.9E331 N352 P353 K358 V359 D360E331-K356 IonicContact OE2-NZ 2.71Å; N352-K356 PolarHBondContact O-N 2.89Å; P353-K356 PolarHBondContact O-N 2.81Å; K356-K358 PolarHBondContact O-N 3.18Å; K356-V359 CarbonylContact O-C 3.58Å; K356-V359 WeakPolarHBondContact O-CA 3.44Å; K356-V359 WeakPolarHBondContact O-CB 3.27Å; K356-V359 PolarHBondContact O-N 2.8Å; K356-D360 WeakPolarHBondContact CG-OD2 3.48Å; K356-D360 VanDerWaalsContact O-CG 3.25Å; K356-D360 PolarHBondContact O-N 3.24Å
357E92.6Very high81.6Confident95 Ų9582.5 Ų82.544%0.44441%0.41SS..Hα-helixtrans-56.5-24175.9-167.7-137.7121.200113.6P353 R361P353-E357 WeakPolarHBondContact O-CB 3.24Å; P353-E357 PolarHBondContact O-N 3.42Å; E357-R361 WeakPolarHBondContact O-CB 3.47Å; E357-R361 PolarHBondContact O-N 3.43Å; E357-R361 PolarHBondContact O-NH1 3.33Å; E357-R361 IonicContact OE1-CZ 3.22Å; E357-R361 IonicContact OE1-NH1 2.76Å; E357-R361 PolarHBondContact OE1-NH1 3.19Å; E357-R361 IonicContact OE1-NH2 2.72Å; E357-R361 PolarHBondContact OE1-NH2 2.91Å
358K94.6Very high84.2Confident97 Ų9780.9 Ų80.942%0.42239%0.392SS..Hα-helixtrans-84-35172.9-68.7-178.4-178.7-168.90112.9Y319 K354 T355 K356 A362Y319-K358 HydrophobicContact CD1-CB 3.79Å; Y319-K358 HydrophobicContact CD2-CB 4.05Å; Y319-K358 HydrophobicContact CD2-CD 4.49Å; Y319-K358 HydrophobicContact CE1-CB 3.89Å; Y319-K358 HydrophobicContact CE1-CD 4.02Å; Y319-K358 HydrophobicContact CE2-CB 4.15Å; Y319-K358 HydrophobicContact CE2-CD 3.79Å; Y319-K358 HydrophobicContact CG-CB 3.87Å; K354-K358 WeakPolarHBondContact O-CG 3.47Å; T355-K358 WeakPolarHBondContact O-CB 3.42Å; T355-K358 PolarHBondContact O-N 2.93Å; T355-K358 VanDerWaalsContact O-N 3.13Å; K356-K358 PolarHBondContact O-N 3.18Å; K358-A362 WeakPolarHBondContact O-CB 3.47Å; K358-A362 PolarHBondContact O-N 2.66Å; K358-A362 VanDerWaalsContact O-N 3.11Å
359V94.5Very high86.7Confident1 Ų175.5 Ų75.51%0.00637%0.366CS..Hα-helixtrans-64.2-51.3169.8176.40000110Y319 G320 C321 E331 T355 K356 R361 A362 V363Y319-V359 HydrophobicContact CD1-CG2 4.24Å; G320-V359 WeakPolarHBondContact O-CG1 3.47Å; C321-V359 HydrophobicContact CB-CG1 4.01Å; E331-V359 HydrophobicContact CB-CG1 3.95Å; E331-V359 HydrophobicContact CB-CG2 4.33Å; T355-V359 PolarHBondContact O-N 2.71Å; T355-V359 VanDerWaalsContact O-N 3.1Å; K356-V359 CarbonylContact O-C 3.58Å; K356-V359 WeakPolarHBondContact O-CA 3.44Å; K356-V359 WeakPolarHBondContact O-CB 3.27Å; K356-V359 PolarHBondContact O-N 2.8Å; V359-R361 VanDerWaalsContact C-N 3.3Å; V359-R361 PolarHBondContact O-N 3.39Å; V359-A362 CarbonylContact O-C 3.44Å; V359-A362 WeakPolarHBondContact O-CA 3.47Å; V359-A362 PolarHBondContact O-N 2.77Å; V359-V363 HydrophobicContact CG1-CG2 3.93Å; V359-V363 WeakPolarHBondContact O-CG2 3.27Å; V359-V363 PolarHBondContact O-N 2.94Å
360D95.1Very high88.9Confident72 Ų7271 Ų7139%0.38534%0.337SS..Hα-helixtrans-52.3-50.2-180-58.4-35000110.6K356 A362 V363 E364K356-D360 WeakPolarHBondContact CG-OD2 3.48Å; K356-D360 VanDerWaalsContact O-CG 3.25Å; K356-D360 PolarHBondContact O-N 3.24Å; D360-A362 VanDerWaalsContact C-N 3.34Å; D360-A362 PolarHBondContact O-N 2.98Å; D360-V363 PolarHBondContact O-N 2.82Å; D360-E364 WeakPolarHBondContact O-CG 3.45Å; D360-E364 PolarHBondContact O-N 2.82Å
361R96.8Very high91Very high128 Ų12870 Ų7048%0.48334%0.339SS..Hα-helixtrans-60.9-35.2176.1-178-177.3-73.2105.6-13.1113.9E357 V359 G365E357-R361 WeakPolarHBondContact O-CB 3.47Å; E357-R361 PolarHBondContact O-N 3.43Å; E357-R361 PolarHBondContact O-NH1 3.33Å; E357-R361 IonicContact OE1-CZ 3.22Å; E357-R361 IonicContact OE1-NH1 2.76Å; E357-R361 PolarHBondContact OE1-NH1 3.19Å; E357-R361 IonicContact OE1-NH2 2.72Å; E357-R361 PolarHBondContact OE1-NH2 2.91Å; V359-R361 VanDerWaalsContact C-N 3.3Å; V359-R361 PolarHBondContact O-N 3.39Å; R361-G365 PolarHBondContact O-N 3Å
362A97Very high93.2Very high3 Ų364.5 Ų64.53%0.02532%0.317CS..Hα-helixtrans-78.3-33.9177.800000112.6F296 Y319 K358 V359 D360 G365 A366F296-A362 HydrophobicContact CE1-CB 4.18Å; Y319-A362 WeakPolarHBondContact O-CB 3.39Å; K358-A362 WeakPolarHBondContact O-CB 3.47Å; K358-A362 PolarHBondContact O-N 2.66Å; K358-A362 VanDerWaalsContact O-N 3.11Å; V359-A362 CarbonylContact O-C 3.44Å; V359-A362 WeakPolarHBondContact O-CA 3.47Å; V359-A362 PolarHBondContact O-N 2.77Å; D360-A362 VanDerWaalsContact C-N 3.34Å; D360-A362 PolarHBondContact O-N 2.98Å; A362-G365 WeakPolarHBondContact O-CA 3.35Å; A362-G365 PolarHBondContact O-N 2.82Å; A362-A366 PolarHBondContact O-N 3.02Å
363V97.1Very high94.6Very high24 Ų2459.8 Ų59.815%0.14529%0.292CS..Hα-helixtrans-65.5-46.4171.5171.80000110E308 C321 V359 D360 G365 A366 Q367E308-V363 HydrophobicContact CB-CB 4.41Å; E308-V363 HydrophobicContact CB-CG1 4.02Å; E308-V363 HydrophobicContact CB-CG2 4.16Å; C321-V363 HydrophobicContact CB-CG2 3.8Å; V359-V363 HydrophobicContact CG1-CG2 3.93Å; V359-V363 WeakPolarHBondContact O-CG2 3.27Å; V359-V363 PolarHBondContact O-N 2.94Å; D360-V363 PolarHBondContact O-N 2.82Å; V363-G365 VanDerWaalsContact C-N 3.26Å; V363-G365 PolarHBondContact O-N 2.87Å; V363-A366 PolarHBondContact O-N 2.72Å; V363-Q367 WeakPolarHBondContact O-CG 3.31Å; V363-Q367 PolarHBondContact O-N 2.73Å
364E97.9Very high95.5Very high95 Ų9561.5 Ų61.544%0.44429%0.286SS..Hα-helixtrans-57.4-40.1169.8-70.5179-165.200111.9D360 Q367 R368D360-E364 WeakPolarHBondContact O-CG 3.45Å; D360-E364 PolarHBondContact O-N 2.82Å; E364-Q367 PolarHBondContact O-N 2.9Å; E364-R368 WeakPolarHBondContact O-CB 3.34Å; E364-R368 WeakPolarHBondContact O-CG 3.3Å; E364-R368 PolarHBondContact O-N 2.78Å; E364-R368 PolarHBondContact O-NE 3.24Å; E364-R368 IonicContact OE2-CZ 3.57Å; E364-R368 IonicContact OE2-NH1 3.57Å; E364-R368 PolarHBondContact OE2-NH1 2.85Å; E364-R368 IonicContact OE2-NH2 2.72Å; E364-R368 PolarHBondContact OE2-NH2 2.88Å
365G98.3Very high96.1Very high8 Ų856.5 Ų56.58%0.08227%0.271CS..Hα-helixtrans-58.8-49175.800000111.9R361 A362 V363 R368 A369R361-G365 PolarHBondContact O-N 3Å; A362-G365 WeakPolarHBondContact O-CA 3.35Å; A362-G365 PolarHBondContact O-N 2.82Å; V363-G365 VanDerWaalsContact C-N 3.26Å; V363-G365 PolarHBondContact O-N 2.87Å; G365-R368 PolarHBondContact O-N 2.91Å; G365-A369 WeakPolarHBondContact O-CB 3.23Å; G365-A369 PolarHBondContact O-N 3.39Å
366A98.1Very high96.8Very high0 Ų057 Ų570%027%0.27CS..Hα-helixtrans-60.9-43.4175.100000112.7G297 V298 E308 G309 A362 V363 A369 A370G297-A366 WeakPolarHBondContact O-CB 3.29Å; V298-A366 HydrophobicContact CG2-CB 4.02Å; E308-A366 HydrophobicContact CB-CB 4.15Å; G309-A366 VanDerWaalsContact N-CB 3.32Å; A362-A366 PolarHBondContact O-N 3.02Å; V363-A366 PolarHBondContact O-N 2.72Å; A366-A369 PolarHBondContact O-N 2.87Å; A366-A370 VanDerWaalsContact O-CB 3.31Å; A366-A370 WeakPolarHBondContact O-CB 3.38Å; A366-A370 PolarHBondContact O-N 2.75Å
367Q98.1Very high97.2Very high93 Ų9354.1 Ų54.144%0.43526%0.259SS..Hα-helixtrans-66-40.2177.9-71.41741.700112.1E308 V363 E364 A370 A371E308-Q367 WeakPolarHBondContact OE1-CG 3.44Å; E308-Q367 PolarHBondContact OE1-NE2 3.49Å; V363-Q367 WeakPolarHBondContact O-CG 3.31Å; V363-Q367 PolarHBondContact O-N 2.73Å; E364-Q367 PolarHBondContact O-N 2.9Å; Q367-A370 PolarHBondContact O-N 3.12Å; Q367-A371 WeakPolarHBondContact O-CB 3.29Å; Q367-A371 PolarHBondContact O-N 3.16Å
368R98.5Very high97.4Very high132 Ų13255.8 Ų55.850%0.49827%0.267SS..Hα-helixtrans-61.7-47.5171.1-75.2-178.6-72.2-108-1.4111.4E364 G365 A370 A371 I372E364-R368 WeakPolarHBondContact O-CB 3.34Å; E364-R368 WeakPolarHBondContact O-CG 3.3Å; E364-R368 PolarHBondContact O-N 2.78Å; E364-R368 PolarHBondContact O-NE 3.24Å; E364-R368 IonicContact OE2-CZ 3.57Å; E364-R368 IonicContact OE2-NH1 3.57Å; E364-R368 PolarHBondContact OE2-NH1 2.85Å; E364-R368 IonicContact OE2-NH2 2.72Å; E364-R368 PolarHBondContact OE2-NH2 2.88Å; G365-R368 PolarHBondContact O-N 2.91Å; R368-A370 VanDerWaalsContact C-N 3.34Å; R368-A370 PolarHBondContact O-N 3.46Å; R368-A371 PolarHBondContact O-N 3.45Å; R368-I372 VanDerWaalsContact O-CG1 3.32Å; R368-I372 WeakPolarHBondContact O-CG1 3.31Å; R368-I372 PolarHBondContact O-N 2.93Å
369A98.4Very high97.6Very high4 Ų453.8 Ų53.83%0.03326%0.261CS..Hα-helixtrans-62.9-38177.800000112.8Y141 F296 G365 A366 I372 A373Y141-A369 HydrophobicContact CD1-CB 4.48Å; Y141-A369 HydrophobicContact CE1-CB 4.02Å; F296-A369 HydrophobicContact CB-CB 3.79Å; F296-A369 VanDerWaalsContact O-CB 3.32Å; F296-A369 WeakPolarHBondContact O-CB 3.46Å; G365-A369 WeakPolarHBondContact O-CB 3.23Å; G365-A369 PolarHBondContact O-N 3.39Å; A366-A369 PolarHBondContact O-N 2.87Å; A369-I372 PolarHBondContact O-N 3.45Å; A369-A373 VanDerWaalsContact O-CB 3.3Å; A369-A373 WeakPolarHBondContact O-CB 3.21Å; A369-A373 PolarHBondContact O-N 3.25Å
370A98.3Very high97.7Very high6 Ų653.8 Ų53.85%0.0526%0.26CS..Hα-helixtrans-70.4-31.6175.200000113.3M285 V298 A366 Q367 R368 R374M285-A370 HydrophobicContact CB-CB 3.65Å; M285-A370 HydrophobicContact SD-CB 4.49Å; V298-A370 HydrophobicContact CB-CB 4.09Å; V298-A370 HydrophobicContact CG2-CB 3.76Å; A366-A370 VanDerWaalsContact O-CB 3.31Å; A366-A370 WeakPolarHBondContact O-CB 3.38Å; A366-A370 PolarHBondContact O-N 2.75Å; Q367-A370 PolarHBondContact O-N 3.12Å; R368-A370 VanDerWaalsContact C-N 3.34Å; R368-A370 PolarHBondContact O-N 3.46Å; A370-R374 WeakPolarHBondContact O-CG 3.36Å; A370-R374 PolarHBondContact O-N 2.84Å; A370-R374 VanDerWaalsContact O-N 3.15Å; A370-R374 PolarHBondContact O-NE 3.42Å
371A98.2Very high97.8Very high47 Ų4752.6 Ų52.639%0.38826%0.26SS..Hα-helixtrans-68.7-45.1170.400000111.5Q367 R368 A373 R374 S375Q367-A371 WeakPolarHBondContact O-CB 3.29Å; Q367-A371 PolarHBondContact O-N 3.16Å; R368-A371 PolarHBondContact O-N 3.45Å; A371-A373 VanDerWaalsContact C-N 3.34Å; A371-A373 PolarHBondContact O-N 3.26Å; A371-R374 PolarHBondContact O-N 3.41Å; A371-S375 PolarHBondContact O-N 3.45Å; A371-S375 VanDerWaalsContact O-N 3.1Å
372I98.4Very high97.8Very high68 Ų6849.8 Ų49.835%0.34926%0.26SS..Hα-helixtrans-61.1-43.7174.5-63.5163.5000110.3Y141 R368 A369 R374 S375 K376Y141-I372 HydrophobicContact CD1-CB 3.91Å; Y141-I372 HydrophobicContact CD1-CG2 3.65Å; Y141-I372 HydrophobicContact CD2-CG2 3.68Å; Y141-I372 HydrophobicContact CE1-CB 4.09Å; Y141-I372 HydrophobicContact CE1-CD1 4.15Å; Y141-I372 HydrophobicContact CE1-CG2 3.94Å; Y141-I372 HydrophobicContact CE2-CG2 3.99Å; Y141-I372 HydrophobicContact CG-CB 4.27Å; Y141-I372 HydrophobicContact CG-CG2 3.51Å; R368-I372 VanDerWaalsContact O-CG1 3.32Å; R368-I372 WeakPolarHBondContact O-CG1 3.31Å; R368-I372 PolarHBondContact O-N 2.93Å; A369-I372 PolarHBondContact O-N 3.45Å; I372-R374 PolarHBondContact O-N 3.01Å; I372-S375 PolarHBondContact O-N 2.92Å; I372-K376 HydrophobicContact CG2-CG 4.33Å; I372-K376 WeakPolarHBondContact O-CG 3.49Å; I372-K376 PolarHBondContact O-N 3.34Å
373A98.3Very high97.8Very high0 Ų054.3 Ų54.30%028%0.277CS..Hα-helixtrans-57.8-44.9176.800000112.4V143 M285 A369 A371 K376 V377V143-A373 HydrophobicContact CG2-CB 4.09Å; M285-A373 HydrophobicContact CB-CB 4.38Å; A369-A373 VanDerWaalsContact O-CB 3.3Å; A369-A373 WeakPolarHBondContact O-CB 3.21Å; A369-A373 PolarHBondContact O-N 3.25Å; A371-A373 VanDerWaalsContact C-N 3.34Å; A371-A373 PolarHBondContact O-N 3.26Å; A373-K376 CarbonylContact O-C 3.54Å; A373-K376 PolarHBondContact O-N 2.97Å; A373-K376 VanDerWaalsContact O-N 3.13Å; A373-V377 WeakPolarHBondContact O-CG2 3.22Å; A373-V377 PolarHBondContact O-N 3.38Å
374R97.6Very high97.8Very high133 Ų13353.2 Ų53.250%0.50227%0.271SS..Hα-helixtrans-61.1-44.3174.5-75.6179.7-72.9157.2-3.8112.6M285 A370 A371 I372 K376 V377 E378M285-R374 HydrophobicContact CE-CG 4.15Å; M285-R374 HydrophobicContact SD-CG 3.73Å; A370-R374 WeakPolarHBondContact O-CG 3.36Å; A370-R374 PolarHBondContact O-N 2.84Å; A370-R374 VanDerWaalsContact O-N 3.15Å; A370-R374 PolarHBondContact O-NE 3.42Å; A371-R374 PolarHBondContact O-N 3.41Å; I372-R374 PolarHBondContact O-N 3.01Å; R374-K376 VanDerWaalsContact C-N 3.27Å; R374-K376 PolarHBondContact O-N 3.31Å; R374-V377 WeakPolarHBondContact O-CA 3.42Å; R374-V377 WeakPolarHBondContact O-CB 3.39Å; R374-V377 PolarHBondContact O-N 3.2Å; R374-E378 PolarHBondContact O-N 3.48Å
375S98Very high97.8Very high54 Ų5450.9 Ų50.938%0.37827%0.267SS..Hα-helixtrans-63.3-31.7173.6-178.70000112.9A371 I372 E378 I379A371-S375 PolarHBondContact O-N 3.45Å; A371-S375 VanDerWaalsContact O-N 3.1Å; I372-S375 PolarHBondContact O-N 2.92Å; S375-E378 PolarHBondContact O-N 3.35Å; S375-I379 PolarHBondContact O-N 3.1Å
376K97.9Very high97.8Very high50 Ų5053.9 Ų53.922%0.21728%0.279CS..Hα-helixtrans-72.9-25.1172-63.5-33.6-169.9173.20113.4Y118 Q132 I372 A373 R374 I379 A380Y118-K376 HydrophobicContact CE1-CB 4.17Å; Y118-K376 HydrophobicContact CE1-CD 4Å; Y118-K376 HydrophobicContact CE1-CG 4.36Å; Y118-K376 PolarHBondContact OH-NZ 3.2Å; Q132-K376 HydrophobicContact CG-CB 4.47Å; Q132-K376 HydrophobicContact CG-CG 4.37Å; I372-K376 HydrophobicContact CG2-CG 4.33Å; I372-K376 WeakPolarHBondContact O-CG 3.49Å; I372-K376 PolarHBondContact O-N 3.34Å; A373-K376 CarbonylContact O-C 3.54Å; A373-K376 PolarHBondContact O-N 2.97Å; A373-K376 VanDerWaalsContact O-N 3.13Å; R374-K376 VanDerWaalsContact C-N 3.27Å; R374-K376 PolarHBondContact O-N 3.31Å; K376-I379 HydrophobicContact CD-CD1 3.98Å; K376-A380 WeakPolarHBondContact O-CB 3.41Å; K376-A380 PolarHBondContact O-N 2.88Å
377V98.1Very high97.8Very high26 Ų2653.9 Ų53.916%0.15828%0.279CS..Hα-helixtrans-67.3-40.6170.1172.50000111.2Q130 V143 A373 R374 I379 A380 A381Q130-V377 HydrophobicContact CB-CB 4.47Å; Q130-V377 HydrophobicContact CB-CG1 4.03Å; Q130-V377 HydrophobicContact CB-CG2 3.83Å; Q130-V377 WeakPolarHBondContact O-CG2 3.43Å; V143-V377 HydrophobicContact CB-CG2 3.79Å; V143-V377 HydrophobicContact CG2-CG2 3.54Å; A373-V377 WeakPolarHBondContact O-CG2 3.22Å; A373-V377 PolarHBondContact O-N 3.38Å; R374-V377 WeakPolarHBondContact O-CA 3.42Å; R374-V377 WeakPolarHBondContact O-CB 3.39Å; R374-V377 PolarHBondContact O-N 3.2Å; V377-I379 VanDerWaalsContact C-N 3.33Å; V377-I379 PolarHBondContact O-N 2.96Å; V377-A380 CarbonylContact O-C 3.52Å; V377-A380 WeakPolarHBondContact O-CB 3.25Å; V377-A380 PolarHBondContact O-N 3.28Å; V377-A380 VanDerWaalsContact O-N 3.13Å; V377-A381 WeakPolarHBondContact O-CB 3.35Å; V377-A381 PolarHBondContact O-N 3.28Å
378E96.7Very high97.7Very high131 Ų13154.8 Ų54.861%0.61228%0.279SS*.Hα-helixtrans-59.6-44.2175.4-64.9158-176.800111.4R374 S375 A381 S382R374-E378 PolarHBondContact O-N 3.48Å; S375-E378 PolarHBondContact O-N 3.35Å; E378-A381 PolarHBondContact O-N 2.99Å; E378-S382 PolarHBondContact O-N 2.86Å
379I97.4Very high97.7Very high55 Ų5552.4 Ų52.428%0.28228%0.279SS..Hα-helixtrans-64.5-41.7174-59.8172.4000110.9Y118 S375 K376 V377 S382 R383Y118-I379 HydrophobicContact CD1-CB 4.02Å; Y118-I379 HydrophobicContact CD1-CG2 3.65Å; Y118-I379 HydrophobicContact CD2-CG2 3.99Å; Y118-I379 HydrophobicContact CE1-CB 3.88Å; Y118-I379 HydrophobicContact CE1-CD1 4.37Å; Y118-I379 HydrophobicContact CE1-CG2 3.63Å; Y118-I379 HydrophobicContact CE2-CG2 3.99Å; Y118-I379 HydrophobicContact CG-CG2 3.83Å; S375-I379 PolarHBondContact O-N 3.1Å; K376-I379 HydrophobicContact CD-CD1 3.98Å; V377-I379 VanDerWaalsContact C-N 3.33Å; V377-I379 PolarHBondContact O-N 2.96Å; I379-S382 PolarHBondContact O-N 2.93Å; I379-R383 HydrophobicContact CG2-CG 4.48Å; I379-R383 WeakPolarHBondContact O-CG 3.34Å; I379-R383 PolarHBondContact O-N 3.39Å
380A97.6Very high97.7Very high0 Ų055.1 Ų55.10%029%0.29CS..Hα-helixtrans-62.7-42.1175.900000112Y118 K376 V377 R383 T384Y118-A380 HydrophobicContact CD1-CB 4.48Å; K376-A380 WeakPolarHBondContact O-CB 3.41Å; K376-A380 PolarHBondContact O-N 2.88Å; V377-A380 CarbonylContact O-C 3.52Å; V377-A380 WeakPolarHBondContact O-CB 3.25Å; V377-A380 PolarHBondContact O-N 3.28Å; V377-A380 VanDerWaalsContact O-N 3.13Å; A380-R383 PolarHBondContact O-N 2.93Å; A380-T384 WeakPolarHBondContact O-CB 3.44Å; A380-T384 PolarHBondContact O-N 2.7Å; A380-T384 PolarHBondContact O-OG1 3.2Å
381A97Very high97.7Very high47 Ų4755.6 Ų55.639%0.38829%0.293SS..Hα-helixtrans-62.5-42176.200000111.9V377 E378 T384 A385V377-A381 WeakPolarHBondContact O-CB 3.35Å; V377-A381 PolarHBondContact O-N 3.28Å; E378-A381 PolarHBondContact O-N 2.99Å; A381-T384 WeakPolarHBondContact O-CB 3.47Å; A381-T384 PolarHBondContact O-N 2.97Å; A381-A385 WeakPolarHBondContact O-CB 3.29Å; A381-A385 PolarHBondContact O-N 3.41Å
382S97.3Very high97.7Very high69 Ų6958.9 Ų58.948%0.48330%0.3SS..Hα-helixtrans-61.1-47.3173.7175.50000112.5E378 I379 T384 A385 H386E378-S382 PolarHBondContact O-N 2.86Å; I379-S382 PolarHBondContact O-N 2.93Å; S382-T384 VanDerWaalsContact C-N 3.33Å; S382-T384 PolarHBondContact O-N 3.13Å; S382-A385 PolarHBondContact O-N 2.82Å; S382-H386 PolarHBondContact O-N 3.28Å
383R97.4Very high97.7Very high98 Ų9857.5 Ų57.537%0.3730%0.299SS..Hα-helixtrans-69-32.6178-62.9-66.2168.4-144.8-11.1112.6Y94 T109 I379 A380 A387Y94-R383 HydrophobicContact CE1-CB 4.37Å; Y94-R383 WeakPolarHBondContact OH-CD 3.45Å; Y94-R383 PolarHBondContact OH-NH1 2.93Å; T109-R383 HydrophobicContact CG2-CB 4.32Å; I379-R383 HydrophobicContact CG2-CG 4.48Å; I379-R383 WeakPolarHBondContact O-CG 3.34Å; I379-R383 PolarHBondContact O-N 3.39Å; A380-R383 PolarHBondContact O-N 2.93Å; R383-A387 WeakPolarHBondContact O-CB 3.25Å; R383-A387 PolarHBondContact O-N 3.5Å
384T96.6Very high97.7Very high2 Ų257.5 Ų57.51%0.01230%0.299CS..Hα-helixtrans-64.5-46.8173.3-67.40000111.4E107 V120 A380 A381 S382 H386 A387 R388E107-T384 HydrophobicContact CB-CG2 3.69Å; E107-T384 PolarHBondContact O-OG1 3.01Å; E107-T384 WeakPolarHBondContact OE2-CG2 3.31Å; V120-T384 HydrophobicContact CB-CG2 4.42Å; V120-T384 HydrophobicContact CG2-CG2 4.3Å; V120-T384 WeakPolarHBondContact CG2-OG1 3.32Å; A380-T384 WeakPolarHBondContact O-CB 3.44Å; A380-T384 PolarHBondContact O-N 2.7Å; A380-T384 PolarHBondContact O-OG1 3.2Å; A381-T384 WeakPolarHBondContact O-CB 3.47Å; A381-T384 PolarHBondContact O-N 2.97Å; S382-T384 VanDerWaalsContact C-N 3.33Å; S382-T384 PolarHBondContact O-N 3.13Å; T384-H386 PolarHBondContact O-N 3.34Å; T384-A387 WeakPolarHBondContact O-CB 3.23Å; T384-A387 PolarHBondContact O-N 2.96Å; T384-A387 VanDerWaalsContact O-N 3.12Å; T384-R388 VanDerWaalsContact CG2-NH2 3.34Å; T384-R388 PolarHBondContact O-N 2.83Å
385A97.7Very high97.7Very high46 Ų4654.2 Ų54.238%0.3829%0.289SS..Hα-helixtrans-59.1-46.917600000111.6A381 S382 A387 R388 T389A381-A385 WeakPolarHBondContact O-CB 3.29Å; A381-A385 PolarHBondContact O-N 3.41Å; S382-A385 PolarHBondContact O-N 2.82Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 2.9Å; A385-R388 WeakPolarHBondContact O-CB 3.31Å; A385-R388 PolarHBondContact O-N 2.94Å; A385-R388 VanDerWaalsContact O-N 3.11Å; A385-T389 PolarHBondContact O-N 3.01Å; A385-T389 VanDerWaalsContact O-N 3.11Å; A385-T389 PolarHBondContact O-OG1 3.24Å
386H97.6Very high97.7Very high70 Ų7056.9 Ų56.932%0.32430%0.296SS..Hα-helixtrans-62.7-35174.7-174.4-92.1000112.7Y94 S382 T384 R388 T389 K390Y94-H386 HydrophobicContact CD1-CB 4.33Å; Y94-H386 AromaticContact CD1-ND1 3.22Å; Y94-H386 WeakPolarHBondContact CD1-ND1 3.26Å; Y94-H386 AromaticContact CD2-CE1 3.29Å; Y94-H386 WeakPolarHBondContact CD2-CE1 3.44Å; Y94-H386 AromaticContact CD2-ND1 3.21Å; Y94-H386 WeakPolarHBondContact CD2-ND1 3.24Å; Y94-H386 HydrophobicContact CE1-CB 4.14Å; Y94-H386 AromaticContact CE1-ND1 3.31Å; Y94-H386 VanDerWaalsContact CE1-ND1 3.31Å; Y94-H386 WeakPolarHBondContact CE1-ND1 3.25Å; Y94-H386 AromaticContact CE2-CE1 3.35Å; Y94-H386 WeakPolarHBondContact CE2-CE1 3.34Å; Y94-H386 AromaticContact CE2-ND1 3.29Å; Y94-H386 VanDerWaalsContact CE2-ND1 3.29Å; Y94-H386 WeakPolarHBondContact CE2-ND1 3.31Å; Y94-H386 AromaticContact CG-CE1 3.7Å; Y94-H386 AromaticContact CG-ND1 3.16Å; Y94-H386 AromaticContact CZ-CE1 3.83Å; Y94-H386 AromaticContact CZ-ND1 3.33Å; Y94-H386 VanDerWaalsContact CZ-ND1 3.33Å; S382-H386 PolarHBondContact O-N 3.28Å; T384-H386 PolarHBondContact O-N 3.34Å; H386-R388 VanDerWaalsContact C-N 3.35Å; H386-T389 PolarHBondContact O-N 3.49Å; H386-K390 WeakPolarHBondContact O-CG 3.43Å; H386-K390 PolarHBondContact O-N 2.9Å
387A97.8Very high97.7Very high0 Ų054.8 Ų54.80%029%0.287CS..Hα-helixtrans-66.3-32.3173.500000113.2Y94 R383 T384 A385 S391Y94-A387 HydrophobicContact CD1-CB 4.39Å; R383-A387 WeakPolarHBondContact O-CB 3.25Å; R383-A387 PolarHBondContact O-N 3.5Å; T384-A387 WeakPolarHBondContact O-CB 3.23Å; T384-A387 PolarHBondContact O-N 2.96Å; T384-A387 VanDerWaalsContact O-N 3.12Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 2.9Å; A387-S391 WeakPolarHBondContact O-CB 3.38Å; A387-S391 PolarHBondContact O-N 2.92Å
388R97.7Very high97.7Very high113 Ų11354 Ų5443%0.42628%0.283SS..Hα-helixtrans-66.4-50.4171.3-66.7176.9-166148.76.1111.6E107 T384 A385 H386 K390 S391 E392E107-R388 IonicContact OE2-CZ 2.74Å; E107-R388 IonicContact OE2-NE 3.5Å; E107-R388 PolarHBondContact OE2-NE 2.84Å; E107-R388 IonicContact OE2-NH2 3.87Å; E107-R388 PolarHBondContact OE2-NH2 3.18Å; T384-R388 VanDerWaalsContact CG2-NH2 3.34Å; T384-R388 PolarHBondContact O-N 2.83Å; A385-R388 WeakPolarHBondContact O-CB 3.31Å; A385-R388 PolarHBondContact O-N 2.94Å; A385-R388 VanDerWaalsContact O-N 3.11Å; H386-R388 VanDerWaalsContact C-N 3.35Å; R388-K390 PolarHBondContact O-N 2.95Å; R388-S391 CarbonylContact O-C 3.57Å; R388-S391 WeakPolarHBondContact O-CA 3.5Å; R388-S391 VanDerWaalsContact O-CB 3.28Å; R388-S391 WeakPolarHBondContact O-CB 3.39Å; R388-S391 PolarHBondContact O-N 3.11Å; R388-E392 WeakPolarHBondContact O-CG 3.23Å; R388-E392 PolarHBondContact O-N 2.82Å
389T98.1Very high97.8Very high82 Ų8252.4 Ų52.450%0.50328%0.278SS..Hα-helixtrans-57.5-36.2176.8-49.80000112.2A385 H386 E392 A393A385-T389 PolarHBondContact O-N 3.01Å; A385-T389 VanDerWaalsContact O-N 3.11Å; A385-T389 PolarHBondContact O-OG1 3.24Å; H386-T389 PolarHBondContact O-N 3.49Å; T389-E392 WeakPolarHBondContact CA-OE2 3.36Å; T389-A393 WeakPolarHBondContact O-CB 3.32Å; T389-A393 PolarHBondContact O-N 3.12Å
390K98Very high97.8Very high61 Ų6152.1 Ų52.127%0.26528%0.281SS..Hα-helixtrans-74.2-29.3173.3-68.3-71.5178.6140.10113.8L72 E85 H386 R388 A394L72-K390 HydrophobicContact CD2-CD 4.2Å; E85-K390 HydrophobicContact CG-CB 4.41Å; E85-K390 HydrophobicContact CG-CD 3.98Å; E85-K390 HydrophobicContact CG-CG 4.32Å; E85-K390 WeakPolarHBondContact OE1-CD 3.42Å; E85-K390 VanDerWaalsContact OE1-CE 3.23Å; E85-K390 WeakPolarHBondContact OE1-CE 3.49Å; E85-K390 IonicContact OE1-NZ 3.6Å; E85-K390 PolarHBondContact OE1-NZ 2.91Å; H386-K390 WeakPolarHBondContact O-CG 3.43Å; H386-K390 PolarHBondContact O-N 2.9Å; R388-K390 PolarHBondContact O-N 2.95Å; K390-A394 WeakPolarHBondContact O-CB 3.39Å; K390-A394 PolarHBondContact O-N 3.47Å
391S98Very high97.8Very high15 Ų1552.1 Ų52.111%0.10528%0.281CS..Hα-helixtrans-69.9-41.1170.3168.70000112.1R83 A387 R388 A394 E395R83-S391 VanDerWaalsContact CB-OG 3.25Å; R83-S391 WeakPolarHBondContact CB-OG 3.42Å; R83-S391 VanDerWaalsContact CD-OG 3.23Å; R83-S391 WeakPolarHBondContact CD-OG 3.34Å; A387-S391 WeakPolarHBondContact O-CB 3.38Å; A387-S391 PolarHBondContact O-N 2.92Å; R388-S391 CarbonylContact O-C 3.57Å; R388-S391 WeakPolarHBondContact O-CA 3.5Å; R388-S391 VanDerWaalsContact O-CB 3.28Å; R388-S391 WeakPolarHBondContact O-CB 3.39Å; R388-S391 PolarHBondContact O-N 3.11Å; S391-A394 PolarHBondContact O-N 3.04Å; S391-E395 PolarHBondContact O-N 2.88Å
392E98.1Very high97.8Very high116 Ų11651.6 Ų51.654%0.54227%0.273SS..Hα-helixtrans-64.4-48.1175.8-70.3149.5-160.900110.7R388 T389 A394 E395 Q396R388-E392 WeakPolarHBondContact O-CG 3.23Å; R388-E392 PolarHBondContact O-N 2.82Å; T389-E392 WeakPolarHBondContact CA-OE2 3.36Å; E392-A394 VanDerWaalsContact C-N 3.28Å; E392-A394 PolarHBondContact O-N 3.47Å; E392-E395 PolarHBondContact O-N 2.82Å; E392-Q396 PolarHBondContact O-N 2.92Å
393A98.3Very high97.9Very high40 Ų4053.2 Ų53.233%0.33127%0.273SS..Hα-helixtrans-63.2-32.6173.800000112.8L72 T389 A397L72-A393 HydrophobicContact CD1-CB 3.75Å; T389-A393 WeakPolarHBondContact O-CB 3.32Å; T389-A393 PolarHBondContact O-N 3.12Å; A393-A397 WeakPolarHBondContact O-CB 3.31Å; A393-A397 PolarHBondContact O-N 3.37Å
394A98.4Very high97.9Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-71.5-35.9173.100000112.9L72 V74 R83 G84 K390 S391 E392 A397 S398L72-A394 HydrophobicContact CB-CB 4.37Å; L72-A394 HydrophobicContact CD2-CB 4.47Å; V74-A394 HydrophobicContact CG2-CB 4.32Å; V74-A394 WeakPolarHBondContact CG2-O 3.42Å; R83-A394 HydrophobicContact CB-CB 4.42Å; G84-A394 VanDerWaalsContact N-CB 3.28Å; K390-A394 WeakPolarHBondContact O-CB 3.39Å; K390-A394 PolarHBondContact O-N 3.47Å; S391-A394 PolarHBondContact O-N 3.04Å; E392-A394 VanDerWaalsContact C-N 3.28Å; E392-A394 PolarHBondContact O-N 3.47Å; A394-A397 PolarHBondContact O-N 2.86Å; A394-S398 WeakPolarHBondContact O-CB 3.43Å; A394-S398 PolarHBondContact O-N 2.7Å
395E97.9Very high97.9Very high64 Ų6451 Ų5130%0.29927%0.267SS..Hα-helixtrans-62.6-45.2172.3-159.978.4158.100110R83 S391 E392 A397 S398 I399R83-E395 WeakPolarHBondContact CD-OE2 3.34Å; R83-E395 IonicContact CZ-OE1 3.34Å; R83-E395 IonicContact CZ-OE2 3.93Å; R83-E395 VanDerWaalsContact NE-CD 3.33Å; R83-E395 IonicContact NE-OE1 3.56Å; R83-E395 PolarHBondContact NE-OE1 3.13Å; R83-E395 IonicContact NE-OE2 3.55Å; R83-E395 PolarHBondContact NE-OE2 3.41Å; R83-E395 IonicContact NH2-OE1 3.25Å; R83-E395 PolarHBondContact NH2-OE1 2.98Å; R83-E395 IonicContact NH2-OE2 3.62Å; S391-E395 PolarHBondContact O-N 2.88Å; E392-E395 PolarHBondContact O-N 2.82Å; E395-A397 PolarHBondContact O-N 2.88Å; E395-S398 WeakPolarHBondContact O-CA 3.47Å; E395-S398 WeakPolarHBondContact O-CB 3.38Å; E395-S398 PolarHBondContact O-N 3.48Å; E395-S398 PolarHBondContact O-OG 3.11Å; E395-I399 WeakPolarHBondContact O-CG1 3.28Å; E395-I399 PolarHBondContact O-N 2.87Å
396Q98Very high97.9Very high110 Ų11053.9 Ų53.951%0.51427%0.272SS..Hα-helixtrans-60.6-43.4174.9-174.957.365.800112.4E392 S398 I399 S400E392-Q396 PolarHBondContact O-N 2.92Å; Q396-S398 PolarHBondContact O-N 3.48Å; Q396-I399 PolarHBondContact O-N 3.31Å; Q396-S400 PolarHBondContact O-N 3.24Å; Q396-S400 PolarHBondContact O-OG 3.36Å
397A98Very high97.9Very high5 Ų553 Ų534%0.04127%0.27CS..Hα-helixtrans-62-31.3173.100000112.4Y63 L72 A393 A394 E395 A401Y63-A397 HydrophobicContact CD2-CB 4.06Å; Y63-A397 HydrophobicContact CE2-CB 3.65Å; L72-A397 HydrophobicContact CB-CB 3.93Å; A393-A397 WeakPolarHBondContact O-CB 3.31Å; A393-A397 PolarHBondContact O-N 3.37Å; A394-A397 PolarHBondContact O-N 2.86Å; E395-A397 PolarHBondContact O-N 2.88Å; A397-A401 VanDerWaalsContact O-CB 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.28Å; A397-A401 PolarHBondContact O-N 2.87Å
398S98.1Very high97.8Very high10 Ų1053 Ų537%0.0727%0.27CS..Hα-helixtrans-73.5-32.4175.8860000113.1A394 E395 Q396 A401 V402A394-S398 WeakPolarHBondContact O-CB 3.43Å; A394-S398 PolarHBondContact O-N 2.7Å; E395-S398 WeakPolarHBondContact O-CA 3.47Å; E395-S398 WeakPolarHBondContact O-CB 3.38Å; E395-S398 PolarHBondContact O-N 3.48Å; E395-S398 PolarHBondContact O-OG 3.11Å; Q396-S398 PolarHBondContact O-N 3.48Å; S398-A401 PolarHBondContact O-N 2.88Å; S398-V402 VanDerWaalsContact O-CG2 3.31Å; S398-V402 WeakPolarHBondContact O-CG2 3.48Å; S398-V402 PolarHBondContact O-N 3.04Å
399I98.1Very high97.7Very high98 Ų9848.9 Ų48.950%0.50325%0.254SS..Hα-helixtrans-67-48.2173.3-67165.4000109.4E395 Q396 A401 V402 H403E395-I399 WeakPolarHBondContact O-CG1 3.28Å; E395-I399 PolarHBondContact O-N 2.87Å; Q396-I399 PolarHBondContact O-N 3.31Å; I399-A401 VanDerWaalsContact C-N 3.34Å; I399-A401 PolarHBondContact O-N 2.92Å; I399-V402 PolarHBondContact O-N 3.08Å; I399-H403 PolarHBondContact O-N 3.22Å
400S97.5Very high97.5Very high49 Ų4946.3 Ų46.334%0.34324%0.241SC..Hα-helixtrans-57.2-47172.1-60.90000111.3Q396 V402 H403 E404Q396-S400 PolarHBondContact O-N 3.24Å; Q396-S400 PolarHBondContact O-OG 3.36Å; S400-V402 VanDerWaalsContact C-N 3.28Å; S400-V402 PolarHBondContact O-N 2.65Å; S400-H403 WeakPolarHBondContact O-CB 3.34Å; S400-H403 PolarHBondContact O-N 2.83Å; S400-E404 WeakPolarHBondContact O-CG 3.43Å; S400-E404 PolarHBondContact O-N 3.21Å
401A98.2Very high97.4Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-61.6-31.6177.900000114.4V49 V51 K61 G62 A397 S398 I399 S405V49-A401 HydrophobicContact CG1-CB 3.86Å; V51-A401 WeakPolarHBondContact CG2-O 2.95Å; K61-A401 HydrophobicContact CB-CB 4.41Å; G62-A401 VanDerWaalsContact N-CB 3.3Å; A397-A401 VanDerWaalsContact O-CB 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.28Å; A397-A401 PolarHBondContact O-N 2.87Å; S398-A401 PolarHBondContact O-N 2.88Å; I399-A401 VanDerWaalsContact C-N 3.34Å; I399-A401 PolarHBondContact O-N 2.92Å; A401-S405 WeakPolarHBondContact O-CB 3.35Å; A401-S405 PolarHBondContact O-N 2.95Å; A401-S405 VanDerWaalsContact O-N 3.11Å
402V97.7Very high97.2Very high36 Ų3644.3 Ų44.322%0.21823%0.234CC..Hα-helixtrans-68-44.1171.7167.20000110.9V51 K61 S398 I399 S400 S405 E406V51-V402 HydrophobicContact CG2-CG2 4.09Å; K61-V402 HydrophobicContact CD-CG2 3.79Å; S398-V402 VanDerWaalsContact O-CG2 3.31Å; S398-V402 WeakPolarHBondContact O-CG2 3.48Å; S398-V402 PolarHBondContact O-N 3.04Å; I399-V402 PolarHBondContact O-N 3.08Å; S400-V402 VanDerWaalsContact C-N 3.28Å; S400-V402 PolarHBondContact O-N 2.65Å; V402-S405 CarbonylContact O-C 3.56Å; V402-S405 WeakPolarHBondContact O-CA 3.38Å; V402-S405 VanDerWaalsContact O-CB 3.28Å; V402-S405 WeakPolarHBondContact O-CB 3.41Å; V402-S405 PolarHBondContact O-N 2.87Å; V402-S405 VanDerWaalsContact O-N 3.16Å; V402-E406 HydrophobicContact CG1-CG 4.46Å; V402-E406 WeakPolarHBondContact CG1-OE1 3.42Å; V402-E406 WeakPolarHBondContact O-CG 3.29Å; V402-E406 PolarHBondContact O-N 2.88Å
403H98.1Very high97Very high103 Ų10345.4 Ų45.448%0.47723%0.233SC..Hα-helixtrans-61.3-46.2177.4-172.556.1000112.3I399 S400 S405 E406 I407I399-H403 PolarHBondContact O-N 3.22Å; S400-H403 WeakPolarHBondContact O-CB 3.34Å; S400-H403 PolarHBondContact O-N 2.83Å; H403-S405 VanDerWaalsContact C-N 3.28Å; H403-S405 PolarHBondContact O-N 2.92Å; H403-E406 WeakPolarHBondContact O-CB 3.31Å; H403-E406 PolarHBondContact O-N 2.85Å; H403-I407 WeakPolarHBondContact O-CG1 3.36Å; H403-I407 PolarHBondContact O-N 2.69Å
404E97.8Very high96.7Very high44 Ų4450.6 Ų50.621%0.20625%0.25CS..Hα-helixtrans-59.1-38.9173.6-62.4-65.2127.300111.7H26 S41 V49 S400 A408H26-E404 IonicContact CD2-OE2 3.64Å; H26-E404 IonicContact NE2-OE2 2.69Å; H26-E404 PolarHBondContact NE2-OE2 2.81Å; S41-E404 WeakPolarHBondContact CB-OE2 3.24Å; S41-E404 PolarHBondContact OG-OE2 2.96Å; V49-E404 HydrophobicContact CB-CG 4.24Å; V49-E404 HydrophobicContact CG1-CB 4.32Å; V49-E404 HydrophobicContact CG1-CG 3.72Å; S400-E404 WeakPolarHBondContact O-CG 3.43Å; S400-E404 PolarHBondContact O-N 3.21Å; E404-A408 VanDerWaalsContact O-CB 3.3Å; E404-A408 WeakPolarHBondContact O-CB 3.41Å; E404-A408 PolarHBondContact O-N 2.84Å
405S97.4Very high96.5Very high8 Ų853.9 Ų53.96%0.05627%0.267CS..Hα-helixtrans-63.2-42172143.10000112.1A39 A401 V402 H403 A408 R409A39-S405 WeakPolarHBondContact O-CB 3.32Å; A401-S405 WeakPolarHBondContact O-CB 3.35Å; A401-S405 PolarHBondContact O-N 2.95Å; A401-S405 VanDerWaalsContact O-N 3.11Å; V402-S405 CarbonylContact O-C 3.56Å; V402-S405 WeakPolarHBondContact O-CA 3.38Å; V402-S405 VanDerWaalsContact O-CB 3.28Å; V402-S405 WeakPolarHBondContact O-CB 3.41Å; V402-S405 PolarHBondContact O-N 2.87Å; V402-S405 VanDerWaalsContact O-N 3.16Å; H403-S405 VanDerWaalsContact C-N 3.28Å; H403-S405 PolarHBondContact O-N 2.92Å; S405-A408 PolarHBondContact O-N 2.74Å; S405-R409 WeakPolarHBondContact O-CB 3.38Å; S405-R409 WeakPolarHBondContact O-CG 3.47Å; S405-R409 PolarHBondContact O-N 2.67Å; S405-R409 PolarHBondContact OG-NE 2.9Å
406E96.8Very high96.2Very high107 Ų10751.9 Ų51.950%0.526%0.261SS..Hα-helixtrans-65.9-41.7179.6-74167.3178.600111.8V402 H403 R409 A410V402-E406 HydrophobicContact CG1-CG 4.46Å; V402-E406 WeakPolarHBondContact CG1-OE1 3.42Å; V402-E406 WeakPolarHBondContact O-CG 3.29Å; V402-E406 PolarHBondContact O-N 2.88Å; H403-E406 WeakPolarHBondContact O-CB 3.31Å; H403-E406 PolarHBondContact O-N 2.85Å; E406-R409 PolarHBondContact O-N 2.82Å; E406-A410 PolarHBondContact O-N 2.9Å
407I97Very high95.8Very high51 Ų5151.7 Ų51.726%0.26227%0.269SS..Hα-helixtrans-62.3-49.1172.3-63164.1000110.2H26 H403 R409 A410 V411H26-I407 HydrophobicContact CB-CG2 4.07Å; H403-I407 WeakPolarHBondContact O-CG1 3.36Å; H403-I407 PolarHBondContact O-N 2.69Å; I407-R409 PolarHBondContact O-N 2.86Å; I407-A410 WeakPolarHBondContact O-CB 3.21Å; I407-A410 PolarHBondContact O-N 2.8Å; I407-V411 HydrophobicContact CG2-CG2 4.37Å; I407-V411 WeakPolarHBondContact O-CG2 3.28Å; I407-V411 PolarHBondContact O-N 3.09Å
408A96.9Very high95.4Very high0 Ų059.1 Ų59.10%031%0.308CS..Hα-helixtrans-56.9-34.9176.100000112.9H26 A39 E404 S405 A412H26-A408 HydrophobicContact CB-CB 4.13Å; A39-A408 HydrophobicContact CB-CB 4.47Å; E404-A408 VanDerWaalsContact O-CB 3.3Å; E404-A408 WeakPolarHBondContact O-CB 3.41Å; E404-A408 PolarHBondContact O-N 2.84Å; S405-A408 PolarHBondContact O-N 2.74Å; A408-A412 VanDerWaalsContact O-CB 3.24Å; A408-A412 WeakPolarHBondContact O-CB 3.42Å; A408-A412 PolarHBondContact O-N 3.05Å
409R95.1Very high94.9Very high27 Ų2759.7 Ų59.710%0.10231%0.309CS..Hα-helixtrans-74.7-30175.7-69170.9-166.4-68.6-4.2113.9I28 E37 A39 S405 E406 I407 R413I28-R409 HydrophobicContact CD1-CB 4.5Å; I28-R409 HydrophobicContact CD1-CG 3.85Å; E37-R409 IonicContact OE1-CZ 3.46Å; E37-R409 IonicContact OE1-NH1 3.65Å; E37-R409 PolarHBondContact OE1-NH1 3.35Å; E37-R409 IonicContact OE1-NH2 3.64Å; E37-R409 PolarHBondContact OE1-NH2 3.4Å; E37-R409 IonicContact OE2-NH1 3.8Å; A39-R409 HydrophobicContact CB-CG 4.45Å; S405-R409 WeakPolarHBondContact O-CB 3.38Å; S405-R409 WeakPolarHBondContact O-CG 3.47Å; S405-R409 PolarHBondContact O-N 2.67Å; S405-R409 PolarHBondContact OG-NE 2.9Å; E406-R409 PolarHBondContact O-N 2.82Å; I407-R409 PolarHBondContact O-N 2.86Å; R409-R413 WeakPolarHBondContact O-CB 3.39Å; R409-R413 WeakPolarHBondContact O-CG 3.25Å; R409-R413 PolarHBondContact O-N 3.37Å; R409-R413 PolarHBondContact O-NE 3Å; R409-R413 PolarHBondContact O-NH2 2.96Å
410A94.8Very high94.3Very high28 Ų2861.9 Ų61.923%0.23131%0.312CS..Hα-helixtrans-68.6-53.3170.800000110.3E406 I407 A412 R413 E414E406-A410 PolarHBondContact O-N 2.9Å; I407-A410 WeakPolarHBondContact O-CB 3.21Å; I407-A410 PolarHBondContact O-N 2.8Å; A410-A412 VanDerWaalsContact C-N 3.32Å; A410-A412 PolarHBondContact O-N 3.24Å; A410-R413 WeakPolarHBondContact O-CA 3.36Å; A410-R413 WeakPolarHBondContact O-CB 3.43Å; A410-R413 PolarHBondContact O-N 3.32Å; A410-E414 PolarHBondContact O-N 3.01Å
411V94.6Very high93.9Very high35 Ų3561 Ų6121%0.21230%0.302CS..Hα-helixtrans-54.9-45.2176.6171.40000111.7H26 I407 R413 E414 L415H26-V411 HydrophobicContact CB-CG2 4.32Å; I407-V411 HydrophobicContact CG2-CG2 4.37Å; I407-V411 WeakPolarHBondContact O-CG2 3.28Å; I407-V411 PolarHBondContact O-N 3.09Å; V411-R413 VanDerWaalsContact C-N 3.31Å; V411-R413 PolarHBondContact O-N 3.46Å; V411-E414 PolarHBondContact O-N 3.15Å; V411-L415 HydrophobicContact CG1-CD1 3.59Å; V411-L415 HydrophobicContact CG1-CG 4.23Å; V411-L415 WeakPolarHBondContact O-CB 3.42Å; V411-L415 VanDerWaalsContact O-CG 3.27Å; V411-L415 WeakPolarHBondContact O-CG 3.44Å; V411-L415 PolarHBondContact O-N 2.89Å
412A94.3Very high93.3Very high0 Ų061.3 Ų61.30%031%0.305CS..Hα-helixtrans-65.6-30.6177.200000113.7C15 I28 A408 A410 S416 F419C15-A412 HydrophobicContact CB-CB 4.15Å; I28-A412 HydrophobicContact CB-CB 4.49Å; I28-A412 HydrophobicContact CD1-CB 3.64Å; I28-A412 HydrophobicContact CG1-CB 3.93Å; A408-A412 VanDerWaalsContact O-CB 3.24Å; A408-A412 WeakPolarHBondContact O-CB 3.42Å; A408-A412 PolarHBondContact O-N 3.05Å; A410-A412 VanDerWaalsContact C-N 3.32Å; A410-A412 PolarHBondContact O-N 3.24Å; A412-S416 CarbonylContact O-C 3.53Å; A412-S416 PolarHBondContact O-N 2.99Å; A412-F419 HydrophobicContact CB-CD1 4.37Å
413R93.3Very high92.7Very high138 Ų13859.6 Ų59.652%0.52129%0.294SS..Hα-helixtrans-73.6-35.7174.2-84.5179.4-93.9112.5-3.1112.4R409 A410 V411 P417R409-R413 WeakPolarHBondContact O-CB 3.39Å; R409-R413 WeakPolarHBondContact O-CG 3.25Å; R409-R413 PolarHBondContact O-N 3.37Å; R409-R413 PolarHBondContact O-NE 3Å; R409-R413 PolarHBondContact O-NH2 2.96Å; A410-R413 WeakPolarHBondContact O-CA 3.36Å; A410-R413 WeakPolarHBondContact O-CB 3.43Å; A410-R413 PolarHBondContact O-N 3.32Å; V411-R413 VanDerWaalsContact C-N 3.31Å; V411-R413 PolarHBondContact O-N 3.46Å; R413-P417 WeakPolarHBondContact O-CA 3.37Å; R413-P417 WeakPolarHBondContact O-CD 3.44Å; R413-P417 WeakPolarHBondContact O-CG 3.45Å
414E93.6Very high92.1Very high149 Ų14956.8 Ų56.870%0.69629%0.285SS*.Hα-helixtrans-71.3-44.3176.1-70.7166.3-16300111.7A410 V411A410-E414 PolarHBondContact O-N 3.01Å; V411-E414 PolarHBondContact O-N 3.15Å
415L93.1Very high91.6Very high69 Ų6956.9 Ų56.936%0.36129%0.287SS..Hα-helixtrans-75.4-27.9-179.9-65.5174.8000113.6G16 V411G16-L415 WeakPolarHBondContact O-CD1 3.31Å; V411-L415 HydrophobicContact CG1-CD1 3.59Å; V411-L415 HydrophobicContact CG1-CG 4.23Å; V411-L415 WeakPolarHBondContact O-CB 3.42Å; V411-L415 VanDerWaalsContact O-CG 3.27Å; V411-L415 WeakPolarHBondContact O-CG 3.44Å; V411-L415 PolarHBondContact O-N 2.89Å
416S91.9Very high91.1Very high23 Ų2357.6 Ų57.616%0.16129%0.289CS..  trans-15385.5178.5-157.30000111.9R5 A412 N418 F419R5-S416 WeakPolarHBondContact CD-OG 3.42Å; A412-S416 CarbonylContact O-C 3.53Å; A412-S416 PolarHBondContact O-N 2.99Å; S416-N418 PolarHBondContact O-N 3.19Å; S416-N418 VanDerWaalsContact O-N 3.07Å; S416-F419 VanDerWaalsContact O-CB 3.29Å; S416-F419 WeakPolarHBondContact O-CB 3.46Å; S416-F419 PolarHBondContact O-N 3.31Å
417P90.1Very high90.5Very high106 Ų10656.3 Ų56.369%0.68828%0.284SS*.THydrogen-bonded Turntrans-57-27.1-177.8-2834.8000114.9R413R413-P417 WeakPolarHBondContact O-CA 3.37Å; R413-P417 WeakPolarHBondContact O-CD 3.44Å; R413-P417 WeakPolarHBondContact O-CG 3.45Å
418N89.1Confident90Very high161 Ų16158.7 Ų58.786%0.86129%0.293SS*.THydrogen-bonded Turntrans-88.30.7179.5-64.3-12.8000113.5S416 Y420S416-N418 PolarHBondContact O-N 3.19Å; S416-N418 VanDerWaalsContact O-N 3.07Å; N418-Y420 PolarHBondContact O-N 3.11Å
419F87.1Confident89.2Confident22 Ų2264 Ų6410%0.09632%0.317CS..  trans-76.9112.7-178.4175.9-124.5000111.6T13 C15 I28 T30 A412 S416 Q421T13-F419 HydrophobicContact CG2-CD2 3.94Å; T13-F419 HydrophobicContact CG2-CE2 3.44Å; T13-F419 VanDerWaalsContact CG2-CE2 3.44Å; T13-F419 HydrophobicContact CG2-CZ 4.02Å; C15-F419 HydrophobicContact CB-CD1 3.76Å; C15-F419 HydrophobicContact CB-CE1 3.81Å; C15-F419 HydrophobicContact CB-CG 4.35Å; C15-F419 HydrophobicContact CB-CZ 4.44Å; I28-F419 HydrophobicContact CB-CE1 4.03Å; I28-F419 HydrophobicContact CD1-CE1 4.24Å; I28-F419 HydrophobicContact CG2-CE1 3.89Å; I28-F419 HydrophobicContact CG2-CZ 4.18Å; T30-F419 HydrophobicContact CG2-CZ 4.19Å; A412-F419 HydrophobicContact CB-CD1 4.37Å; S416-F419 VanDerWaalsContact O-CB 3.29Å; S416-F419 WeakPolarHBondContact O-CB 3.46Å; S416-F419 PolarHBondContact O-N 3.31Å; F419-Q421 HydrophobicContact CD1-CG 4.19Å; F419-Q421 HydrophobicContact CE1-CG 4.23Å; F419-Q421 PolarHBondContact O-N 2.87Å
420Y86.6Confident88.2Confident143 Ų14365.5 Ų65.556%0.56133%0.326SS*.  trans-70.5126.8175175.5-113.8000111.5N418 P422 D425N418-Y420 PolarHBondContact O-N 3.11Å; Y420-P422 HydrophobicContact CD1-CB 4.4Å; Y420-P422 HydrophobicContact CE1-CB 3.74Å; Y420-P422 WeakPolarHBondContact O-CD 3.29Å; Y420-D425 PolarHBondContact OH-OD2 2.79Å; Y420-D425 VanDerWaalsContact OH-OD2 3.08Å
421Q87.9Confident86.7Confident30 Ų3068.7 Ų68.714%0.1435%0.346CS..  trans-104.4101.2178.9-59.6-178.712.800108.7I28 E37 F419 G423 P424I28-Q421 HydrophobicContact CD1-CG 3.69Å; E37-Q421 WeakPolarHBondContact OE2-CA 3.29Å; E37-Q421 WeakPolarHBondContact OE2-CB 3.34Å; F419-Q421 HydrophobicContact CD1-CG 4.19Å; F419-Q421 HydrophobicContact CE1-CG 4.23Å; F419-Q421 PolarHBondContact O-N 2.87Å; Q421-G423 PolarHBondContact O-N 2.97Å; Q421-P424 WeakPolarHBondContact O-CD 3.46Å
422P86.8Confident85.1Confident7 Ų774.7 Ų74.75%0.04537%0.37CS..  trans-73.7-20.9-173.928.3-35.8000114.7T30 E37 Y420 D425 Y426T30-P422 HydrophobicContact CG2-CG 3.8Å; E37-P422 HydrophobicContact CB-CG 4.34Å; E37-P422 VanDerWaalsContact OE2-CD 3.23Å; E37-P422 WeakPolarHBondContact OE2-CD 3.3Å; E37-P422 VanDerWaalsContact OE2-N 3.12Å; Y420-P422 HydrophobicContact CD1-CB 4.4Å; Y420-P422 HydrophobicContact CE1-CB 3.74Å; Y420-P422 WeakPolarHBondContact O-CD 3.29Å; P422-D425 PolarHBondContact O-N 2.87Å; P422-Y426 HydrophobicContact CB-CD2 4.48Å; P422-Y426 HydrophobicContact CB-CE1 4.46Å; P422-Y426 HydrophobicContact CB-CE2 3.8Å; P422-Y426 HydrophobicContact CG-CE2 4.19Å; P422-Y426 WeakPolarHBondContact O-CD2 3.3Å; P422-Y426 PolarHBondContact O-N 2.66Å; P422-Y426 VanDerWaalsContact O-N 3.11Å
423G84.1Confident82.9Confident0 Ų081.8 Ų81.80%040%0.403CS..Hα-helixtrans-55.8-49.3-174.100000114.8E37 Q421 D425 Y426 I427E37-G423 VanDerWaalsContact CD-N 3.32Å; E37-G423 WeakPolarHBondContact OE1-CA 3.26Å; E37-G423 PolarHBondContact OE2-N 3.46Å; Q421-G423 PolarHBondContact O-N 2.97Å; G423-D425 PolarHBondContact O-N 3.35Å; G423-Y426 PolarHBondContact O-N 3.02Å; G423-I427 WeakPolarHBondContact O-CG1 3.15Å; G423-I427 PolarHBondContact O-N 2.88Å
424P86.1Confident80.4Confident44 Ų4480.5 Ų80.529%0.28641%0.412SS..Hα-helixtrans-58.1-29.9175.1-27.436.3000114Q421 K428Q421-P424 WeakPolarHBondContact O-CD 3.46Å; P424-K428 WeakPolarHBondContact O-CE 3.37Å; P424-K428 VanDerWaalsContact O-CG 3.28Å; P424-K428 WeakPolarHBondContact O-CG 3.14Å; P424-K428 PolarHBondContact O-N 3.49Å
425D86.8Confident78.1Confident46 Ų4677.9 Ų77.925%0.24641%0.406CS..Hα-helixtrans-82.7-33.6-178.7-74.2-21.6000112.6Y420 P422 G423 I427 K428 Q429Y420-D425 PolarHBondContact OH-OD2 2.79Å; Y420-D425 VanDerWaalsContact OH-OD2 3.08Å; P422-D425 PolarHBondContact O-N 2.87Å; G423-D425 PolarHBondContact O-N 3.35Å; D425-I427 VanDerWaalsContact C-N 3.28Å; D425-I427 PolarHBondContact O-N 2.97Å; D425-K428 PolarHBondContact O-N 3.18Å; D425-K428 WeakPolarHBondContact OD1-CD 3.29Å; D425-K428 WeakPolarHBondContact OD1-CE 3.24Å; D425-K428 IonicContact OD1-NZ 3.6Å; D425-K428 PolarHBondContact OD1-NZ 3.02Å; D425-Q429 WeakPolarHBondContact O-CB 3.35Å; D425-Q429 VanDerWaalsContact O-CG 3.27Å; D425-Q429 WeakPolarHBondContact O-CG 3.45Å; D425-Q429 PolarHBondContact O-N 2.89Å
426Y87.4Confident75.3Confident24 Ų2481.5 Ų81.59%0.09442%0.421CS..Hα-helixtrans-59.1-39.4168.6-59.2-42.2000112.2G34 G36 T53 P55 G57 P422 G423 Q429 Q430G34-Y426 PolarHBondContact O-OH 3.4Å; G36-Y426 PolarHBondContact N-OH 2.91Å; T53-Y426 HydrophobicContact CG2-CD2 4.02Å; T53-Y426 HydrophobicContact CG2-CG 4.49Å; P55-Y426 HydrophobicContact CB-CD1 4.32Å; P55-Y426 HydrophobicContact CB-CE1 3.91Å; P55-Y426 HydrophobicContact CG-CE1 4.45Å; P55-Y426 HydrophobicContact CG-CE2 4.37Å; G57-Y426 WeakPolarHBondContact CA-O 3.22Å; P422-Y426 HydrophobicContact CB-CD2 4.48Å; P422-Y426 HydrophobicContact CB-CE1 4.46Å; P422-Y426 HydrophobicContact CB-CE2 3.8Å; P422-Y426 HydrophobicContact CG-CE2 4.19Å; P422-Y426 WeakPolarHBondContact O-CD2 3.3Å; P422-Y426 PolarHBondContact O-N 2.66Å; P422-Y426 VanDerWaalsContact O-N 3.11Å; G423-Y426 PolarHBondContact O-N 3.02Å; Y426-Q429 PolarHBondContact O-N 2.91Å; Y426-Q430 PolarHBondContact O-N 2.96Å; Y426-Q430 VanDerWaalsContact O-N 3.12Å
427I83.9Confident72.8Confident80 Ų8085.9 Ų85.941%0.4144%0.442SS..Hα-helixtrans-65.7-44.4176.5-63.8167.3000110.4T53 T59 G423 D425 Q429 Q430 S431T53-I427 HydrophobicContact CG2-CD1 4.33Å; T53-I427 HydrophobicContact CG2-CG1 3.93Å; T59-I427 HydrophobicContact CG2-CD1 4.21Å; T59-I427 HydrophobicContact CG2-CG1 4.27Å; G423-I427 WeakPolarHBondContact O-CG1 3.15Å; G423-I427 PolarHBondContact O-N 2.88Å; D425-I427 VanDerWaalsContact C-N 3.28Å; D425-I427 PolarHBondContact O-N 2.97Å; I427-Q429 VanDerWaalsContact C-N 3.34Å; I427-Q429 PolarHBondContact O-N 2.94Å; I427-Q430 PolarHBondContact O-N 3.39Å; I427-S431 PolarHBondContact O-N 3.31Å; I427-S431 VanDerWaalsContact O-N 3.16Å
428K85.4Confident70.2Confident101 Ų10188.8 Ų88.844%0.43944%0.443SS..Hα-helixtrans-63.4-37.2175.8-68.3167.3-150164.10112.6P424 D425 S431 K432P424-K428 WeakPolarHBondContact O-CE 3.37Å; P424-K428 VanDerWaalsContact O-CG 3.28Å; P424-K428 WeakPolarHBondContact O-CG 3.14Å; P424-K428 PolarHBondContact O-N 3.49Å; D425-K428 PolarHBondContact O-N 3.18Å; D425-K428 WeakPolarHBondContact OD1-CD 3.29Å; D425-K428 WeakPolarHBondContact OD1-CE 3.24Å; D425-K428 IonicContact OD1-NZ 3.6Å; D425-K428 PolarHBondContact OD1-NZ 3.02Å; K428-S431 WeakPolarHBondContact CA-OG 3.28Å; K428-S431 PolarHBondContact O-N 2.74Å; K428-S431 PolarHBondContact O-OG 2.66Å; K428-K432 WeakPolarHBondContact O-CB 3.4Å; K428-K432 VanDerWaalsContact O-CG 3.27Å; K428-K432 WeakPolarHBondContact O-CG 3.39Å; K428-K432 PolarHBondContact O-N 3.04Å
429Q80.1Confident67.5Low110 Ų11088.3 Ų88.351%0.51444%0.436SS..Hα-helixtrans-64.2-49.1177.8-75.4168.82.600110.7D425 Y426 I427 S431 K432 E433D425-Q429 WeakPolarHBondContact O-CB 3.35Å; D425-Q429 VanDerWaalsContact O-CG 3.27Å; D425-Q429 WeakPolarHBondContact O-CG 3.45Å; D425-Q429 PolarHBondContact O-N 2.89Å; Y426-Q429 PolarHBondContact O-N 2.91Å; I427-Q429 VanDerWaalsContact C-N 3.34Å; I427-Q429 PolarHBondContact O-N 2.94Å; Q429-S431 VanDerWaalsContact C-N 3.26Å; Q429-S431 PolarHBondContact O-N 3.41Å; Q429-K432 PolarHBondContact O-N 2.88Å; Q429-E433 PolarHBondContact O-N 3.06Å; Q429-E433 VanDerWaalsContact O-N 3.13Å
430Q75.8Confident65Low60 Ų6093.3 Ų93.328%0.2847%0.468SS..Hα-helixtrans-60-33.2176.2-177.7-179.288.300112.8S56 G57 N58 Y426 I427 K432S56-Q430 PolarHBondContact O-NE2 2.86Å; G57-Q430 VanDerWaalsContact C-NE2 3.3Å; G57-Q430 PolarHBondContact O-OE1 2.86Å; N58-Q430 PolarHBondContact OD1-NE2 3.46Å; Y426-Q430 PolarHBondContact O-N 2.96Å; Y426-Q430 VanDerWaalsContact O-N 3.12Å; I427-Q430 PolarHBondContact O-N 3.39Å; Q430-K432 VanDerWaalsContact C-N 3.28Å; Q430-K432 PolarHBondContact O-N 2.84Å
431S63.5Low62.3Low94 Ų9492.1 Ų92.166%0.65748%0.478SS*.THydrogen-bonded Turntrans-76-11.2174.4670000114.8I427 K428 Q429I427-S431 PolarHBondContact O-N 3.31Å; I427-S431 VanDerWaalsContact O-N 3.16Å; K428-S431 WeakPolarHBondContact CA-OG 3.28Å; K428-S431 PolarHBondContact O-N 2.74Å; K428-S431 PolarHBondContact O-OG 2.66Å; Q429-S431 VanDerWaalsContact C-N 3.26Å; Q429-S431 PolarHBondContact O-N 3.41Å
432K60.7Low59.7Low162 Ų16297 Ų9770%0.70451%0.51SS*.THydrogen-bonded Turntrans-105.3-20.2-176.4-78.4177.7178.3-174.30114K428 Q429 Q430 P434K428-K432 WeakPolarHBondContact O-CB 3.4Å; K428-K432 VanDerWaalsContact O-CG 3.27Å; K428-K432 WeakPolarHBondContact O-CG 3.39Å; K428-K432 PolarHBondContact O-N 3.04Å; Q429-K432 PolarHBondContact O-N 2.88Å; Q430-K432 VanDerWaalsContact C-N 3.28Å; Q430-K432 PolarHBondContact O-N 2.84Å; K432-P434 WeakPolarHBondContact O-CD 3.46Å
433E47.6Very low57.1Low148 Ų148105.4 Ų105.469%0.69255%0.548SS*.SBendtrans-66.5113168.7-69.7-170.2139.500109Q429 V435Q429-E433 PolarHBondContact O-N 3.06Å; Q429-E433 VanDerWaalsContact O-N 3.13Å; E433-V435 PolarHBondContact O-N 3.28Å
434P41.7Very low54.5Low111 Ų111115.1 Ų115.172%0.72159%0.59SS**  trans-62.4138.3168.429.1-33.5000107.6K432 E436K432-P434 WeakPolarHBondContact O-CD 3.46Å; P434-E436 PolarHBondContact O-N 3.21Å
435V44.7Very low51.8Low95 Ų95122.6 Ų122.658%0.57662%0.618SS**  trans-70.186.2174.1178.30000107.8E433 I437E433-V435 PolarHBondContact O-N 3.28Å; V435-I437 VanDerWaalsContact C-N 3.26Å; V435-I437 PolarHBondContact O-N 2.89Å
436E35Very low49Very low144 Ų144129.1 Ų129.167%0.67365%0.648SS**  trans-66.785.5179.7-168-173.2-122.700109.4P434 K438P434-E436 PolarHBondContact O-N 3.21Å; E436-K438 HydrophobicContact CG-CG 4.13Å; E436-K438 PolarHBondContact O-N 2.95Å; E436-K438 VanDerWaalsContact O-N 3.13Å; E436-K438 WeakPolarHBondContact OE2-CE 3.41Å; E436-K438 IonicContact OE2-NZ 2.98Å
437I38.8Very low46.2Very low115 Ų115137.6 Ų137.659%0.5969%0.688SS**  trans-64.8109156.7-51.7178.7000104.8V435 E439V435-I437 VanDerWaalsContact C-N 3.26Å; V435-I437 PolarHBondContact O-N 2.89Å; I437-E439 HydrophobicContact CB-CG 4.2Å; I437-E439 HydrophobicContact CG2-CG 3.58Å; I437-E439 PolarHBondContact O-N 3.22Å
438K34.8Very low43.6Very low167 Ų167139 Ų13973%0.72671%0.705SS**  trans-71.370.3167.6-72.2-166.8177.1-173.90109.9E436 V440E436-K438 HydrophobicContact CG-CG 4.13Å; E436-K438 PolarHBondContact O-N 2.95Å; E436-K438 VanDerWaalsContact O-N 3.13Å; E436-K438 WeakPolarHBondContact OE2-CE 3.41Å; E436-K438 IonicContact OE2-NZ 2.98Å; K438-V440 PolarHBondContact O-N 2.76Å
439E33.3Very low41Very low152 Ų152140.3 Ų140.371%0.7172%0.723SS**  trans-62.2124.9156.6-56.5-164.9161.100106.7I437 P441I437-E439 HydrophobicContact CB-CG 4.2Å; I437-E439 HydrophobicContact CG2-CG 3.58Å; I437-E439 PolarHBondContact O-N 3.22Å; E439-P441 WeakPolarHBondContact O-CD 3.39Å
440V33.8Very low38.5Very low126 Ų126144 Ų14476%0.76474%0.74SS**  trans-66.2122.8176178.30000106.8K438 V442K438-V440 PolarHBondContact O-N 2.76Å; V440-V442 PolarHBondContact O-N 2.87Å
441P30.1Very low36.1Very low118 Ų118148.5 Ų148.577%0.76677%0.766SS**  trans-59.9112.1-176.7-25.935.5000111.2E439 E443E439-P441 WeakPolarHBondContact O-CD 3.39Å; P441-E443 PolarHBondContact O-N 3.2Å
442V33.3Very low34.3Very low133 Ų133148.5 Ų148.581%0.80677%0.766SS**  trans-82.7110.6165.5177.90000106.6V440 K444V440-V442 PolarHBondContact O-N 2.87Å; V442-K444 PolarHBondContact O-N 3.29Å; V442-K444 VanDerWaalsContact O-N 3.14Å
443E31.7Very low33.4Very low184 Ų184145.8 Ų145.886%0.8677%0.765SS**PPolyproline II helixtrans-58.2116.5179.4-64.1-179.2142.200110.4P441 K445P441-E443 PolarHBondContact O-N 3.2Å; E443-K445 PolarHBondContact O-N 2.95Å
444K29.9Very low32.5Very low203 Ų203146.9 Ų146.988%0.88377%0.77SS**PPolyproline II helixtrans-76.4118.1166.2-76.7-173.1176.8-178.30108.2V442V442-K444 PolarHBondContact O-N 3.29Å; V442-K444 VanDerWaalsContact O-N 3.14Å
445K28.6Very low31.7Very low201 Ų201149.4 Ų149.487%0.87477%0.77SS**PPolyproline II helixtrans-86.7119.7173.3-167.3178.2-177.1-174.80108.8E443E443-K445 PolarHBondContact O-N 2.95Å
446E30Very low30.9Very low184 Ų184153.7 Ų153.786%0.8678%0.777SS**PPolyproline II helixtrans-75.9147.9174.2-63-176143.300110.7
447E28.4Very low30.5Very low202 Ų202156.8 Ų156.894%0.94478%0.783SS**PPolyproline II helixtrans-93.3129173.8-66.7-174.912900110.1
448S28.3Very low29.9Very low109 Ų109161.1 Ų161.176%0.76280%0.797SS**  trans-116147.3169.361.40000109.9
449P30.4Very low29.6Very low128 Ų128156.7 Ų156.783%0.83180%0.799SS**  trans-62.5161.6-174-23.634.9000115.2
450H29.1Very low29.4Very low188 Ų188156.4 Ų156.487%0.8781%0.807SS**  trans-51.2139.5176.7-90.3-109.6000114.6
451D24.8Very low29.2Very low154 Ų154156.7 Ų156.782%0.82481%0.81SS**  -149.7172.3121.7-148.2-11000111.5
452S25.2Very low29.7Very low94 Ų94156.5 Ų156.566%0.65781%0.808SS**  trans-162.7166.6-177.1-72.90000111
453P41Very low30.2Very low105 Ų105154.8 Ų154.868%0.68280%0.8SS**  cis-126.3-178.6-11.937.2-20.1000113.1
454H28.9Very low30.1Very low172 Ų172154.2 Ų154.280%0.79680%0.797SS**  164.3124.4127.6-96.7-81.3000116.6
455F26Very low30.3Very low164 Ų164149.8 Ų149.872%0.71979%0.792SS**  trans22.2136.5135.1-103-108.1000124.7
456Y28.5Very low31.1Very low185 Ų185145.9 Ų145.973%0.72579%0.787SS**  trans65.8160.4153.5-87.1-29000118.7
457R25.8Very low31.2Very low208 Ų208143.3 Ų143.379%0.78578%0.783SS**  cis-155.8173.8-24.4-161.6171.5-177.9179.20.2108.2G459R457-G459 PolarHBondContact O-N 3.03Å
458K26.1Very low31.4Very low207 Ų207138.1 Ų138.190%0.978%0.775SS**  trans-46.7116.3176.1-67.8-177.2174.8-174.80115.2
459G28Very low31.9Very low73 Ų73138.3 Ų138.375%0.75378%0.776SS**  78120.4114.500000120.8R457R457-G459 PolarHBondContact O-N 3.03Å
460T28.4Very low32.6Very low146 Ų146138.6 Ų138.690%0.89678%0.779SS**  trans-145.7149159.339.30000111.8
461T31.5Very low32.8Very low132 Ų132134.4 Ų134.481%0.8178%0.776SS**  trans-121.8179.1154.453.50000106.1
462P39.7Very low33.3Very low114 Ų114131.8 Ų131.874%0.7478%0.776SS**  cis-128.3-138.55.442.3-20.3000109.5
463P44.6Very low33.8Very low97 Ų97133.9 Ų133.963%0.6379%0.785SS**  cis-131.8179-20.227.9-4.6000116
464H29.9Very low33.9Very low172 Ų172134.2 Ų134.280%0.79679%0.787SS**  trans127141.8150-72.1-74.4000118.4
465S32.5Very low34.3Very low110 Ų110131.6 Ų131.677%0.76979%0.785SS**  trans-171.4168.6-176.4-64.40000106.1
466P46.5Very low35.1Very low120 Ų120129.8 Ų129.878%0.77979%0.79SS**  cis-112.3-167.87.341.8-26.3000111.8
467V31.5Very low35.4Very low129 Ų129126.6 Ų126.678%0.78280%0.795SS**  -153.7110.867167.50000108.3
468A32.8Very low36.5Very low93 Ų93122.6 Ų122.677%0.76980%0.796SS**  74.6127.4103.700000117.3
469S38.3Very low36.7Very low113 Ų113120 Ų12079%0.7979%0.792SS**  trans-107.9-174.9176.7-45.90000111.4
470P45.7Very low36.8Very low135 Ų135122 Ų12288%0.87779%0.79SS**  -137.5175.3101.438.2-27.2000114.4
471A32.8Very low37.1Very low99 Ų99125.3 Ų125.382%0.81879%0.791SS**  trans-113.9175.9-172.900000113.7
472A35.6Very low37Very low99 Ų99128.7 Ų128.782%0.81880%0.795SS**  trans-78165.5-171.200000115.8
473T36.4Very low36.6Very low138 Ų138132.6 Ų132.685%0.84780%0.8SS**  trans-148.2168.6175.417.80000110.6
474P41.4Very low35.8Very low112 Ų112134.4 Ų134.473%0.72781%0.81SS**PPolyproline II helixtrans-97.3170-143.538-39.8000117
475P39.2Very low35.8Very low117 Ų117130 Ų13076%0.7681%0.811SS**PPolyproline II helixtrans-70.2151.4171.430.2-36.8000113.5
476P41.9Very low35.9Very low126 Ų126133.1 Ų133.182%0.81881%0.813SS**PPolyproline II helixtrans-89.3164.8-173.335.9-37.2000115.1
477S34.1Very low35.2Very low118 Ų118135.1 Ų135.183%0.82582%0.816SS**  trans-114.7166.2164.7-72.10000109.6
478P48.8Very low35.1Very low125 Ų125132 Ų13281%0.81281%0.809SS**  trans-90.8164.2-149.435.5-37.5000115.3
479D30.3Very low35.1Very low151 Ų151135.5 Ų135.581%0.80782%0.815SS**  trans-139.2-179162.7-148.3-29.5000111.3
480T31.3Very low34.8Very low116 Ų116134.4 Ų134.471%0.71281%0.807SS**  trans-120.8159.5-13954.90000114.4
481K33.7Very low34.1Very low215 Ų215135 Ų13594%0.93580%0.802SS**  trans-131.6141.4157.6-81.5-171.3176.11760111.3
482K31Very low34Very low203 Ų203134.4 Ų134.488%0.88379%0.792SS**  trans-84152.1-168.6-60.4169.7177.8173.80113
483K29.5Very low33.8Very low197 Ų197138 Ų13886%0.85779%0.791SS**  trans-153.5115.9130.7-115.6179.7-179-1770112.9
484T28.7Very low33.6Very low134 Ų134140.8 Ų140.882%0.82279%0.792SS**  trans25.7123.5144.751.40000121
485G30.1Very low34.4Very low80 Ų80140.7 Ų140.783%0.82579%0.791SS**  trans176.491.9162.400000115.4
486Q33.5Very low33.9Very low175 Ų175140.4 Ų140.482%0.81879%0.792SS**  trans-2.3142.5165.7-70.4169-28.100122.8
487I31.8Very low33.4Very low163 Ų163141.9 Ų141.984%0.83679%0.785SS**  39.8125.9128.9-46.8164000118
488G31.1Very low33.2Very low62 Ų62143 Ų14364%0.63978%0.777SS**  cis158.2161.30.100000111.8
489N31.8Very low32.3Very low168 Ų168145.4 Ų145.490%0.89878%0.778SS**  trans63.7153.8177.9-71.7-3.1000116.7
490S32.5Very low32.4Very low89 Ų89147.1 Ų147.162%0.62278%0.778SS**  cis-171.4157.8-15.149.20000110.8
491I31.4Very low32.9Very low147 Ų147148.1 Ų148.175%0.75479%0.787SS**  trans55.7102.9149.8-64.9163.7000116.6
492S30.1Very low32.8Very low88 Ų88143.4 Ų143.462%0.61578%0.781SS**  83.1144.559.7790000116.8
493H31.3Very low32.6Very low174 Ų174145.6 Ų145.681%0.80678%0.784SS**  trans106.193.9169.2-60.9-78.4000121.8
494K31.8Very low32.6Very low196 Ų196145.9 Ų145.985%0.85279%0.785SS**  -22.2171129.4-79-177.8175.3179.10117.6
495P57.9Low32.5Very low110 Ų110147.9 Ų147.971%0.71479%0.789SS**  cis-146.5-145.8-35.143.6-23.1000112.6
496S29.6Very low32.5Very low111 Ų111148.6 Ų148.678%0.77678%0.781SS**  trans91.6156.4155.179.30000119.1
497K31.3Very low32.3Very low157 Ų157148 Ų14868%0.68378%0.776SS**  cis-176160.6-31.5-172177.3170.3-1190108.9
498E30.5Very low32.1Very low141 Ų141147 Ų14766%0.65977%0.768SS**  trans65.5162.1164-83.4145.9173.400117.2
499E28.3Very low31.9Very low177 Ų177150.5 Ų150.583%0.82777%0.767SS**  cis-148.3-172.3-6.3-142.5177.9-17300112.2
500K34.3Very low31.7Very low186 Ų186149.7 Ų149.781%0.80976%0.756SS**  trans-114.3157.6166.8-72.9-179177.31760110.4
501P40.8Very low31.3Very low137 Ų137150.2 Ų150.289%0.8976%0.759SS**  -140.5-177.5122.236.1-22.6000114.4
502S31.9Very low31Very low117 Ų117147.5 Ų147.582%0.81875%0.753SS**  trans-134.8166.8-177.863.10000112
503R27.5Very low30.9Very low248 Ų248153.2 Ų153.294%0.93676%0.763SS**  trans-152.2155.5166.7-122.7172.9-177.8167.41.3113.5
504K27.9Very low30.6Very low203 Ų203153.9 Ų153.988%0.88376%0.764SS**  trans-127.4151.8175.7-72.4-179.4175.8178.60110.4
505I27.5Very low30.3Very low176 Ų176149.1 Ų149.190%0.90376%0.761SS**  trans-138.9154.1160-60.3-178.2000107.2
506S28.8Very low28.8Very low96 Ų96149.3 Ų149.367%0.67177%0.765SS**  trans-165.2160.3-173.960.20000113.8
507K30.3Very low28.7Very low163 Ų163152.2 Ų152.271%0.70976%0.763SS**  trans73.2153.2170.6-61.5174.5149.4-76.70114.7
508E27.8Very low28.5Very low142 Ų142150.5 Ų150.566%0.66476%0.761SS**  cis-167.1-177.9-14.8-108.8155.4-172.100107.3
509E27.3Very low28.2Very low134 Ų134152.3 Ų152.363%0.62677%0.77SS**  cis-161.6-174.49.8-139-167137.800112.1
510K27.7Very low28.1Very low152 Ų152154 Ų15466%0.66177%0.769SS**  trans57.496.3146-78.5170.7177.3115.30124.3
511S24.4Very low27.6Very low99 Ų99150 Ų15069%0.69276%0.764SS**  60.2132.4109.969.40000126.1
512S24.7Very low27Very low90 Ų90147.2 Ų147.263%0.62975%0.748SS**  111.7152.912776.60000122.2
513Y26.6Very low26.7Very low208 Ų208152.8 Ų152.882%0.81675%0.751SS**  trans70.2149.4176.8-56.6-66.9000116.9
514K25.8Very low26.5Very low189 Ų189149.5 Ų149.582%0.82274%0.744SS**  cis-150.6155-12.6-98.7160.9-176.7177.20105.5
515A24.8Very low26.4Very low96 Ų96147.2 Ų147.279%0.79374%0.74SS**  cis99.79425.500000115.8
516S26.7Very low26.3Very low113 Ų113143.6 Ų143.679%0.7973%0.73SS**  trans-162131.6168520000107.4
517K27.4Very low26.2Very low173 Ų173147.2 Ų147.275%0.75273%0.734SS**  cis60.9132.231.2-76.3-169.1142.7-80.20114
518D28Very low26Very low120 Ų120146.9 Ų146.964%0.64274%0.735SS**  cis-142.8168.1-15.1-80.3-57.4000106.6
519E24.3Very low25.9Very low179 Ų179148.3 Ų148.384%0.83674%0.742SS**  -166.1157.896.1-118.3-74.675.400111.9
520R26.4Very low25.7Very low212 Ų212151.5 Ų151.580%0.875%0.748SS**  trans-156.6122.3-171.4176.5-156.2-172.5-171.17.5111.9
521S24.2Very low25.6Very low102 Ų102151.5 Ų151.571%0.71375%0.754SS**  trans-143.4126.6159.8-155.90000111.6
522S26.5Very low25.8Very low79 Ų79151.5 Ų151.555%0.55275%0.754SS**  cis102.3102.311.898.10000117.1
523R25.5Very low25.9Very low235 Ų235155.8 Ų155.889%0.88776%0.762SS**  trans-173.5118.2152.4-105.2168-96.8-162.7-5103.7
524K24.8Very low26.1Very low179 Ų179150.6 Ų150.678%0.77875%0.752SS**  cis63.9101.438-89.5-166.1169.1-1680114.5
525L24.3Very low26.2Very low155 Ų155148.5 Ų148.581%0.81275%0.75SS**  trans74.2146.8133-61.5163.5000116.8
526S26.3Very low26.4Very low99 Ų99147 Ų14769%0.69274%0.743SS**  cis-146.2157.118.565.40000112.4
527K25.9Very low27.5Very low172 Ų172146.4 Ų146.475%0.74874%0.737SS**  56.9131.1100.2-166.1-178.1-169.8-158.30115
528E26Very low27.7Very low156 Ų156146.9 Ų146.973%0.72974%0.739SS**  cis-165.1-177.6-15-112178.5135.100107.4
529E25.7Very low27.8Very low173 Ų173147.2 Ų147.281%0.80875%0.746SS**  trans67.9160.5164.6-64.1-157.299.400119.1
530R23.8Very low28.1Very low200 Ų200142.5 Ų142.576%0.75573%0.732SS**  cis-170.5156.7-43.4-158.5-172.5168.2169.4-4.3107.7
531L25.6Very low28.3Very low152 Ų152141.2 Ų141.280%0.79674%0.735SS**  trans77141.3163.7-55.5-179000118.8
532S27.8Very low28.6Very low99 Ų99141.1 Ų141.169%0.69274%0.74SS**  trans-107.9158.3167.448.60000109.5
533F28.1Very low28.7Very low180 Ų180146 Ų14679%0.78975%0.754SS**  trans-177.6136132.3-114.5-131.8000113.3
534T29.9Very low28.9Very low100 Ų100143 Ų14361%0.61375%0.754SS**  trans51.9171.2134.267.80000120.5
535D29.3Very low29Very low145 Ų145142.9 Ų142.978%0.77576%0.756SS**  cis-138.9175.312.2-98.6-74000110.2
536G27.7Very low29.5Very low63 Ų63139.7 Ų139.765%0.64975%0.752SS**  cis178.2-138.46.400000113.7
537P50.3Low30Very low102 Ų102140.9 Ų140.966%0.66276%0.757SS**  -143.2-164.7-116.333.4-9.6000117.5
538K31.7Very low30.8Very low183 Ų183138.4 Ų138.480%0.79676%0.759SS**  trans96.2142159.3-60.6176.5-178.8174.50116.4
539T30Very low31.1Very low126 Ų126140.1 Ų140.177%0.77376%0.764SS**  cis-165.8172.3-1.113.10000108.6
540S30.5Very low32.6Very low80 Ų80137.1 Ų137.156%0.55976%0.76SS**  cis-175.1161.6-6.246.50000111.3
541H31.1Very low32.7Very low186 Ų186133.6 Ų133.686%0.86176%0.761SS**  trans68.4143.9158.4-64.6-58.6000118.5
542A30.4Very low32.9Very low99 Ų99135.3 Ų135.382%0.81876%0.761SS**  cis-146.7179.3-2.700000112.7
543H27.9Very low32.9Very low181 Ų181137.8 Ų137.884%0.83877%0.772SS**  trans-84.4153.5-169.8-100.8-75.9000116.8
544I30.5Very low32.9Very low173 Ų173136.2 Ų136.289%0.88777%0.767SS**  -169.9-177.6119.8-94.7160.3000108.8
545E26.9Very low33.1Very low176 Ų176139.2 Ų139.282%0.82278%0.775SS**  trans-123.5139.2-144179176.7-174.700117.1
546A33.8Very low33.1Very low88 Ų88142.3 Ų142.373%0.72778%0.784SS**  trans63.9173.816300000117.8
547P38.3Very low33.3Very low124 Ų124143.6 Ų143.681%0.80579%0.788SS**  cis-129.3-124.55.533.7-6.7000115.8
548P40.9Very low32.8Very low121 Ų121144.8 Ų144.879%0.78680%0.796SS**  -134.5-165.3-125.344-21.6000118.4
549K33.4Very low32.9Very low192 Ų192141 Ų14184%0.83580%0.799SS**  trans-98.9175.2166.6-89.9-179.9176.6178.20111
550P56.1Low33.1Very low110 Ų110141.9 Ų141.971%0.71481%0.805SS**  cis-135.3-164.4-33.638.8-20.5000112.3
551T26.1Very low33.4Very low126 Ų126142.2 Ų142.277%0.77381%0.812SS**  trans151.7153.2132.7-62.20000116
552K30.5Very low33.9Very low187 Ų187139.3 Ų139.381%0.81381%0.81SS**  trans-17.4149.8175.2-63.2177.2174.2-176.90122.3
553V28.3Very low34.4Very low152 Ų152140.4 Ų140.492%0.92181%0.809SS**  trans-142.1159.7138.1-179.10000109.6
554Q28.6Very low34.7Very low147 Ų147138.6 Ų138.669%0.68781%0.81SS**  trans-144.6138.9-176.6175.1176.8-20.400112.7
555Q33.3Very low35.1Very low163 Ų163138.7 Ų138.776%0.76281%0.807SS**  trans46.5130.9160.4-70.4169.5-41.300122.1
556Q28.7Very low36.1Very low210 Ų210136.3 Ų136.398%0.98181%0.806SS**  trans-156.5-178.2131.6-114.9175.520.900112.5
557A32.3Very low36.3Very low89 Ų89137.6 Ų137.674%0.73681%0.807SS**  trans-105.2164.9-148.900000116.3
558P39.7Very low36Very low128 Ų128138 Ų13883%0.83181%0.808SS**  trans-87.7165.3-178.136-36.4000114.4
559A33.9Very low36Very low103 Ų103138.4 Ų138.485%0.85181%0.807SS**  trans-117.9159.2176.900000112.8
560T34.2Very low36.3Very low145 Ų145135 Ų13589%0.8981%0.805SS**  trans-100.1151.5-158.8-35.60000114.6
561A36.9Very low35.2Very low86 Ų86135.1 Ų135.171%0.71180%0.804SS**  trans-136.5156.5164.100000111.7
562P41.1Very low35.7Very low125 Ų125137 Ų13781%0.81281%0.809SS**PPolyproline II helixtrans-85.6171.3-164.1-11.931.6000115.9
563P41.8Very low35.7Very low123 Ų123131.8 Ų131.880%0.79981%0.808SS**PPolyproline II helixtrans-92162.4-16436.7-37.2000115.9
564V34.4Very low35.8Very low142 Ų142132.6 Ų132.686%0.86180%0.802SS**PPolyproline II helixtrans-94.5139.9172.9176.40000110.8
565Q39Very low36Very low176 Ų176132.6 Ų132.682%0.82281%0.806SS**  trans-108.2150.5167.4-67.1-172.5600111.3
566P47Very low36Very low125 Ų125134.1 Ų134.181%0.81281%0.812SS**  trans-96.9146.4-175.936.5-34000114.1
567P38.5Very low36.1Very low115 Ų115128.5 Ų128.575%0.74780%0.796SS**  trans-115.3112166.434-22.1000114.1
568T32.3Very low36.2Very low133 Ų133131.8 Ų131.882%0.81680%0.796SS**  trans27.5141.4132.952.20000123.7
569V40.7Very low35.7Very low129 Ų129137.3 Ų137.378%0.78280%0.802SS**  trans-67.2150.7170.9-149.50000114.2V571V569-V571 HydrophobicContact CG1-CG2 4.46Å
570P40.1Very low35.8Very low120 Ų120140.2 Ų140.278%0.77980%0.798SS**  trans-114.5156.8148.937-29000113
571V32Very low35.6Very low114 Ų114138.5 Ų138.569%0.69179%0.792SS**  trans-130.3138.7-168.8166.50000112.2V569V569-V571 HydrophobicContact CG1-CG2 4.46Å
572N35.7Very low35.5Very low166 Ų166145.3 Ų145.389%0.88880%0.801SS**  trans61.3146.6175.1-61.6-16.4000115.9
573G31.1Very low35Very low76 Ų76149.7 Ų149.778%0.78480%0.803SS**  cis-163.2-172.8-7.200000107.4
574Q30.6Very low34.5Very low170 Ų170150.6 Ų150.679%0.79481%0.806SS**  cis-164152.41.8168177.4-1300107.5
575L33.3Very low34.3Very low147 Ų147153.5 Ų153.577%0.7781%0.807SS**  trans59.8118.2170.6-80.5161.8000118.7
576H32.4Very low34.1Very low194 Ų194150 Ų15090%0.89881%0.808SS**  -164158.7127.7-109.8-146.7000110.2
577S31.3Very low33.5Very low93 Ų93150.6 Ų150.665%0.6581%0.809SS**  trans-104175.6-169.552.40000114.2
578E33.5Very low33.8Very low157 Ų157151 Ų15173%0.73481%0.812SS**  trans7097.2156.5-71.9152.8133.100119.7H580E578-H580 PolarHBondContact O-ND1 3.2Å
579Y29.5Very low34.1Very low244 Ų244156.7 Ų156.796%0.95782%0.819SS**  trans-42.5137.3151.9-103.1-113.6000112.1
580H36.8Very low34.1Very low164 Ų164154 Ų15476%0.75982%0.817SS**  trans-111.2118.7169-8656.1000110.8E578E578-H580 PolarHBondContact O-ND1 3.2Å
581S30.6Very low34.7Very low110 Ų110154.2 Ų154.277%0.76982%0.818SS**  trans-90.9131.3170.455.20000110.9
582Y32.8Very low35.3Very low229 Ų229154.4 Ų154.490%0.89882%0.822SS**  trans-80.7136.4176.6-66.4-81.5000112.2
583Y32.2Very low35.7Very low216 Ų216152.5 Ų152.585%0.84782%0.819SS**  trans-123.2142171.5-118.4-86.4000110.2
584V29.7Very low36.9Very low143 Ų143154.7 Ų154.787%0.86782%0.819SS**  trans-101.5142.5178.3-179.50000109.9
585K31Very low37.1Very low203 Ų203155.7 Ų155.788%0.88382%0.824SS**  trans-92.9151.5-171-63.8179.6178.41790113.3
586A34.1Very low37.8Very low101 Ų101154.6 Ų154.684%0.83583%0.825SS**  trans-122.8161.6157.900000109.6
587T34.6Very low37.9Very low139 Ų139154 Ų15485%0.85382%0.823SS**  trans-105153.3-168.840.70000114.3
588P44.7Very low37.8Very low124 Ų124159.1 Ų159.181%0.80584%0.837SS**  trans-88.8164.2-176.735.9-36.5000114.3
589R38.4Very low37.8Very low251 Ų251157.1 Ų157.195%0.94784%0.835SS**  trans-116.9153.7163.2-85.9-176.3168.1-178.9-3.5110.2
590G42.5Very low38.1Very low72 Ų72154 Ų15474%0.74283%0.829SS**  trans-89.7175.6179.700000115.1
591P51Low37.8Very low125 Ų125155.4 Ų155.481%0.81284%0.836SS**PPolyproline II helixtrans-96.2160.1-168.637.3-36.4000115.6
592P44.9Very low37.8Very low119 Ų119158.7 Ų158.777%0.77384%0.839SS**PPolyproline II helixtrans-92.8171.2167.237.9-33.9000113.6
593P45.5Very low38.6Very low126 Ų126152.2 Ų152.282%0.81883%0.825SS**PPolyproline II helixtrans-88.6173.4-172.436.1-37.4000115.9
594P56.4Low38.5Very low121 Ų121147 Ų14779%0.78682%0.821SS**  trans-114163.5-164.341.9-33.5000116.7
595E34Very low38.7Very low191 Ų191144 Ų14489%0.89381%0.81SS**  trans-177.7157155.7-112.1176.9-147.800109
596P47Very low38.8Very low124 Ų124143.5 Ų143.581%0.80581%0.811SS**  cis-118.4-166.3-46.334.8-17.7000111.8
597E35.4Very low38.5Very low181 Ų181142.4 Ų142.485%0.84680%0.802SS**  trans-92.7154.4-168.7-57173.7149.800115.1
598E28.6Very low38.4Very low201 Ų201143.7 Ų143.794%0.93980%0.803SS**  trans-126.7142157.9-74.9-170.1154.800109.3
599V34.3Very low37.9Very low115 Ų115141.7 Ų141.770%0.69780%0.797SS**  trans-136.6114.1-172176.20000112
600E35.5Very low37.6Very low180 Ų180141.6 Ų141.684%0.84180%0.797SS**  trans54.3157149-61.8-163.7140.200124.8
601E30.9Very low37.1Very low193 Ų193145.9 Ų145.990%0.90280%0.802SS**  trans84.2152.1161.1-70.5-165.115200122.8
602E30.8Very low37.3Very low178 Ų178145.6 Ų145.683%0.83280%0.8SS**  trans-117.3-168.8-166.8-123.4-140138.200109.2
603P49.1Very low37.6Very low93 Ų93145.6 Ų145.660%0.60480%0.8SS**  cis-135.4179.4-8.634.1-13.7000116.2
604S30.8Very low37Very low108 Ų108148 Ų14876%0.75580%0.8SS**  trans96.7143.9136.381.80000124.3
605A32.3Very low36.9Very low79 Ų79146.6 Ų146.665%0.65379%0.791SS**  trans89.4104.9142.600000123.4
606Q33.1Very low36.9Very low192 Ų192146.5 Ų146.590%0.89779%0.788SS**  trans71.4149.3139-59.1178.629.500119.9
607A29.4Very low36.2Very low78 Ų78145.5 Ų145.565%0.64578%0.784SS**  cis-169.1170.8-21.200000111.3
608L31.3Very low36.1Very low166 Ų166146.3 Ų146.387%0.86979%0.785SS**  trans70.6114.4162.3-65.5158.2000117.8
609A33.9Very low36Very low83 Ų83142.2 Ų142.269%0.68678%0.778SS**  82.7140.685.700000114.5
610R32.3Very low36.1Very low249 Ų249142.9 Ų142.994%0.9478%0.783SS**  cis-160.8161.910.9-118.9164.9-170.2174.12.4111.2
611L31.6Very low36.5Very low162 Ų162140.1 Ų140.185%0.84878%0.781SS**  trans-94.7-176.7165.5-69.7163.6000110.7
612P57.2Low36.4Very low118 Ų118137.3 Ų137.377%0.76678%0.777SS**  cis-120.8-132.4-11.728.8-2.5000109.4
613P50.4Low37.3Very low119 Ų119133.8 Ų133.877%0.77377%0.769SS**  cis-136-120.9-13.441.6-17.9000116.3
614Q32.2Very low36.4Very low177 Ų177135.5 Ų135.583%0.82778%0.778SS**  trans-169.4-176.8-161.3-98-160.532.900109.7
615P55.8Low37.5Very low92 Ų92135.5 Ų135.560%0.59778%0.776SS**  cis-142.6-167.5-3639.4-19.5000115.7
616K33.6Very low37.3Very low188 Ų188141.5 Ų141.582%0.81779%0.787SS**  trans85.5113.1150.2-75.6175.2-178.2179.20124.1
617S31.8Very low37.1Very low103 Ų103138.4 Ų138.472%0.7278%0.782SS**  129.6144.3105.872.10000123.3
618F33.2Very low38.1Very low198 Ų198140.5 Ų140.587%0.86879%0.789SS**  trans70.2125.5150.1-73-61.8000128
619S27.3Very low38.2Very low115 Ų115136.7 Ų136.780%0.80478%0.776SS**  trans87.1158.1138.5-1430000123.6
620T34.8Very low38.3Very low129 Ų129139.6 Ų139.679%0.79178%0.778SS**  trans-128.2166.9-170.762.20000112.6
621P44.1Very low38.3Very low123 Ų123137.2 Ų137.280%0.79977%0.769SS**  -152.8-169.386.139.7-17.6000117.3
622T30.1Very low38.3Very low133 Ų133134.8 Ų134.882%0.81676%0.757SS**  trans-83.3-173.7-175.99.70000115.1
623P48.4Very low37.2Very low105 Ų105133.8 Ų133.868%0.68275%0.753SS**  cis-143.7163.412.545-25.7000120.7
624T30.2Very low36.4Very low128 Ų128137.8 Ų137.879%0.78576%0.758SS**  trans34.9175.3140.563.50000125
625P54.4Low36.4Very low108 Ų108134.4 Ų134.470%0.70175%0.754SS**  cis-134.4-179.3-41.635.3-18.1000114.8
626K27.9Very low35.2Very low205 Ų205137.3 Ų137.389%0.89177%0.765SS**  trans-169.1152.3132.6-109162.3-172.2174.80115.7
627T29.3Very low36Very low128 Ų128133.7 Ų133.779%0.78576%0.76SS**  trans-157.4154.6-178.6-0.80000109.6
628P51.5Low35.8Very low122 Ų122138.1 Ų138.179%0.79277%0.767SS**  -144.8-154.6100.638.5-18.2000110.7
629S32.7Very low35.7Very low86 Ų86135.7 Ų135.760%0.60176%0.762SS**  cis-162.6176.45.967.30000111.2
630I36.7Very low35.7Very low144 Ų144140.3 Ų140.374%0.73876%0.762SS**  trans71.8135.6153.4-72.4174.3000116.4
631R30.4Very low35.4Very low198 Ų198141.9 Ų141.975%0.74776%0.758SS**  cis-152.2156.4-3.7-128.5-164.7150101.622.6116.3
632D33.4Very low34.7Very low112 Ų112142 Ų14260%0.59975%0.747SS**  trans-5.9154147.6-48.4-9.6000121.9
633S33Very low34.5Very low97 Ų97141.7 Ų141.768%0.67874%0.741SS**  cis179.9145.7-20.7610000114.4
634K33.2Very low33.7Very low202 Ų202141.9 Ų141.988%0.87875%0.745SS**  trans61.7158.7153.3-71.4178.2178.8177.30119.5
635S32.7Very low33.9Very low106 Ų106143.8 Ų143.874%0.74175%0.749SS**  cis-166.7167.9-1748.90000111.9
636D30.8Very low32.7Very low153 Ų153148.1 Ų148.182%0.81876%0.757SS**  trans-69.7-173.2-178.3-45.8-94.2000116
637P49.5Very low33.7Very low112 Ų112143.6 Ų143.673%0.72775%0.748SS**  cis-144.9170-143-23.4000120.2
638K28.6Very low33.9Very low196 Ų196147.4 Ų147.485%0.85275%0.754SS**  trans65.6147142.9-90.4177.9179.6170.80124.8
639L31.2Very low32.9Very low147 Ų147147 Ų14777%0.7775%0.754SS**  trans103.8117.4141.9-84.4164.2000124
640R26.4Very low32.8Very low213 Ų213151.5 Ų151.580%0.80477%0.77SS**  trans66.8125.1136.8-99.9-174.4175.2-178.9-0.3123.7
641K28.6Very low32.5Very low162 Ų162148 Ų14870%0.70476%0.764SS**  trans66.2162142-75.1-176.7144.9-149.80117.2
642Q30.3Very low32.6Very low125 Ų125145.6 Ų145.658%0.58477%0.765SS**  cis-147.9165.5-7.5-130.3175.5-89.900111
643D26.2Very low32.4Very low126 Ų126146.5 Ų146.567%0.67478%0.775SS**  trans11.8137.3156-42.3-29.7000122.1
644S29.9Very low32.5Very low109 Ų109151.8 Ų151.876%0.76279%0.786SS**  -177.6140.9108.938.90000116.3
645L34.2Very low32.5Very low169 Ų169152.3 Ų152.389%0.88579%0.788SS**  trans51.5114.5141.3-60173.6000123
646K30.8Very low32.4Very low198 Ų198152.1 Ų152.186%0.86179%0.793SS**  trans-69.4176.7139.4-77.3-174.3173.9-174.70110.4
647P48.8Very low32.3Very low110 Ų110150 Ų15071%0.71479%0.79SS**  cis-133.2176.80.240.8-25.1000115.2
648K32.5Very low31.3Very low209 Ų209153 Ų15391%0.90980%0.796SS**  -173.1158.1117.9-100.9162.7-173.4178.90111.5
649S31.3Very low31.4Very low113 Ų113151.5 Ų151.579%0.7979%0.793SS**  trans-116.4148.3174.453.20000110
650L29.7Very low31.4Very low180 Ų180152 Ų15294%0.94279%0.794SS**  trans-151.9150.4151.1-115.5164.5000108.4
651A31.3Very low31.6Very low72 Ų72146.6 Ų146.660%0.59580%0.795SS**  trans-115.7174.7-177.800000110.7
652D31.4Very low31.9Very low147 Ų147147.9 Ų147.979%0.78680%0.804SS**  trans78.7150.3157.8-55.6-38000120.6
653T30.2Very low32.1Very low131 Ų131147.1 Ų147.180%0.80481%0.813SS**  trans71.3102172.670.20000117.8
654K34.5Very low32.5Very low208 Ų208147.4 Ų147.490%0.90482%0.819SS**  -162.214289.9-96.1164.9-174.3178.50112
655K33.4Very low33Very low212 Ų212150.8 Ų150.892%0.92282%0.823SS**  trans-104.7135160.9-75-175.9175.6-1770108.2
656A29.7Very low33.3Very low102 Ų102151.8 Ų151.884%0.84382%0.823SS**  trans-163.8160.4154.700000109.7
657S29.4Very low34.1Very low109 Ų109148.2 Ų148.276%0.76282%0.818SS**  trans-57.8174.3-177.4-40.30000114.6
658M29.5Very low34.9Very low174 Ų174145.2 Ų145.286%0.85781%0.807SS**  cis-152.4-159.619.8-149.6144.469.800113.3
659E29.1Very low36.4Very low166 Ų166140.9 Ų140.978%0.77680%0.8SS**  trans-81.3152.3-160.1-60.8178.7121.600116.7
660I33.1Very low38.5Very low156 Ų156140.3 Ų140.380%0.879%0.789SS**  trans22.6117.8139-51.5170.5000117.8
661A30.6Very low40.8Very low100 Ų100136 Ų13683%0.82677%0.774SS**  trans-134.5130.9143.400000108.7
662E34.1Very low43Very low189 Ų189138.4 Ų138.488%0.88378%0.775SS**  trans-86.2135.2-178.1-170.2167.3-14600109.7
663S33.7Very low45.2Very low110 Ų110136.5 Ų136.577%0.76976%0.764SS**  trans-123.9115.3-17954.90000111.2E665S663-E665 PolarHBondContact O-N 2.58Å
664T34.7Very low47.7Very low132 Ų132133.9 Ų133.981%0.8175%0.748SS**  trans-81113.1-173.1-34.90000110.9E666T664-E666 PolarHBondContact O-N 3.26Å
665E41Very low49.9Very low179 Ų179126.2 Ų126.284%0.83672%0.724SS**  trans-77.1102.9168.8-70.2-166.7146.200110.3S663 T667S663-E665 PolarHBondContact O-N 2.58Å; E665-T667 PolarHBondContact O-N 2.85Å
666E39.8Very low52.3Low190 Ų190122.1 Ų122.189%0.88871%0.709SS**  trans-60.7102.4168.9-76.9-161.7123.300110.3T664 G668T664-E666 PolarHBondContact O-N 3.26Å; E666-G668 VanDerWaalsContact C-N 3.33Å; E666-G668 PolarHBondContact O-N 3.4Å
667T47.5Very low55.1Low123 Ų123121.1 Ų121.176%0.75569%0.693SS**  trans-73.588.5174.7-56.60000109.7E665E665-T667 PolarHBondContact O-N 2.85Å
668G65.9Low57.9Low48 Ų48121.7 Ų121.750%0.49568%0.684SS.*  trans-55.5154.6174.200000112.7E666 N670E666-G668 VanDerWaalsContact C-N 3.33Å; E666-G668 PolarHBondContact O-N 3.4Å; G668-N670 PolarHBondContact O-N 2.92Å
669P65.2Low60.8Low118 Ų118119.1 Ų119.177%0.76667%0.674SS**  trans-60124.9-174.124.3-34000111.3S671P669-S671 PolarHBondContact O-N 3.45Å
670N75.3Confident63.8Low101 Ų101116.6 Ų116.654%0.5467%0.665SS.*  trans-53.698.4-178.3-78.1-71.7000111.7G668 I672 L673 V674G668-N670 PolarHBondContact O-N 2.92Å; N670-I672 PolarHBondContact O-N 3.04Å; N670-I672 VanDerWaalsContact O-N 3.1Å; N670-L673 HydrophobicContact CB-CB 4.31Å; N670-L673 HydrophobicContact CB-CD1 4.05Å; N670-L673 HydrophobicContact CB-CG 4.16Å; N670-L673 WeakPolarHBondContact O-CB 3.4Å; N670-L673 PolarHBondContact O-N 3.31Å; N670-V674 PolarHBondContact O-N 2.93Å
671S77.9Confident66.4Low90 Ų90113.6 Ų113.663%0.62965%0.65SS**Hα-helixtrans-57.4-29.4-177.156.30000113P669 V674 A675P669-S671 PolarHBondContact O-N 3.45Å; S671-V674 PolarHBondContact O-N 3.36Å; S671-A675 WeakPolarHBondContact O-CB 3.49Å; S671-A675 PolarHBondContact O-N 3.29Å
672I77.6Confident69.2Low122 Ų122113.4 Ų113.463%0.62664%0.635SS**Hα-helixtrans-60.4-43.6172.8-60172.7000111.4N670 A675 M676N670-I672 PolarHBondContact O-N 3.04Å; N670-I672 VanDerWaalsContact O-N 3.1Å; I672-A675 PolarHBondContact O-N 2.92Å; I672-M676 WeakPolarHBondContact O-CG 3.39Å; I672-M676 PolarHBondContact O-N 3.04Å
673L77.5Confident71.8Confident107 Ų107105.9 Ų105.956%0.5661%0.607SS**Hα-helixtrans-67.8-40.5177.2-73.1176.2000111.4N670 A675 M676 V677N670-L673 HydrophobicContact CB-CB 4.31Å; N670-L673 HydrophobicContact CB-CD1 4.05Å; N670-L673 HydrophobicContact CB-CG 4.16Å; N670-L673 WeakPolarHBondContact O-CB 3.4Å; N670-L673 PolarHBondContact O-N 3.31Å; L673-A675 VanDerWaalsContact C-N 3.35Å; L673-A675 PolarHBondContact O-N 3.39Å; L673-M676 PolarHBondContact O-N 2.86Å; L673-V677 WeakPolarHBondContact O-CG2 3.37Å; L673-V677 PolarHBondContact O-N 3.17Å
674V83.4Confident74.5Confident75 Ų75105.4 Ų105.446%0.45560%0.596SS.*Hα-helixtrans-60.2-46.1175.8-1770000110.6N670 S671 V677 M678N670-V674 PolarHBondContact O-N 2.93Å; S671-V674 PolarHBondContact O-N 3.36Å; V674-V677 PolarHBondContact O-N 3.22Å; V674-M678 HydrophobicContact CG1-CE 4.13Å; V674-M678 WeakPolarHBondContact O-CG 3.48Å; V674-M678 PolarHBondContact O-N 3.35Å
675A80.3Confident77Confident48 Ų48101.7 Ų101.740%0.39758%0.578SS.*Hα-helixtrans-62.4-42.2176.500000112.5S671 I672 L673 M678 L679S671-A675 WeakPolarHBondContact O-CB 3.49Å; S671-A675 PolarHBondContact O-N 3.29Å; I672-A675 PolarHBondContact O-N 2.92Å; L673-A675 VanDerWaalsContact C-N 3.35Å; L673-A675 PolarHBondContact O-N 3.39Å; A675-M678 PolarHBondContact O-N 2.95Å; A675-L679 WeakPolarHBondContact O-CB 3.17Å; A675-L679 WeakPolarHBondContact O-CG 3.15Å; A675-L679 PolarHBondContact O-N 3.16Å
676M83.3Confident79.2Confident125 Ų12598.4 Ų98.462%0.61657%0.565SS**Hα-helixtrans-64.2-39.8176.5-73-171.978.300112.6I672 L673 L679 L680I672-M676 WeakPolarHBondContact O-CG 3.39Å; I672-M676 PolarHBondContact O-N 3.04Å; L673-M676 PolarHBondContact O-N 2.86Å; M676-L679 PolarHBondContact O-N 3.11Å; M676-L680 WeakPolarHBondContact O-CB 3.41Å; M676-L680 PolarHBondContact O-N 2.94Å
677V89.3Confident81.5Confident82 Ų8294 Ų9450%0.49755%0.547SS..Hα-helixtrans-66.6-41.3176.3171.40000111.4L673 V674 L680 N681L673-V677 WeakPolarHBondContact O-CG2 3.37Å; L673-V677 PolarHBondContact O-N 3.17Å; V674-V677 PolarHBondContact O-N 3.22Å; V677-L680 PolarHBondContact O-N 3.06Å; V677-N681 PolarHBondContact O-N 3.27Å
678M87.6Confident83.4Confident120 Ų12094.9 Ų94.959%0.59154%0.541SS*.Hα-helixtrans-61.7-46.5174.5-73.1-174.6175.600112V674 A675 L680 N681 I682V674-M678 HydrophobicContact CG1-CE 4.13Å; V674-M678 WeakPolarHBondContact O-CG 3.48Å; V674-M678 PolarHBondContact O-N 3.35Å; A675-M678 PolarHBondContact O-N 2.95Å; M678-L680 VanDerWaalsContact C-N 3.35Å; M678-L680 PolarHBondContact O-N 3.06Å; M678-N681 PolarHBondContact O-N 3.2Å; M678-I682 WeakPolarHBondContact O-CD1 3.27Å; M678-I682 VanDerWaalsContact O-CG1 3.28Å; M678-I682 WeakPolarHBondContact O-CG1 3.33Å; M678-I682 PolarHBondContact O-N 3.44Å
679L90.8Very high84.2Confident121 Ų12197 Ų9763%0.63454%0.544SS*.Hα-helixtrans-63.6-37.9178-71.3170.1000112.6A675 M676 G683A675-L679 WeakPolarHBondContact O-CB 3.17Å; A675-L679 WeakPolarHBondContact O-CG 3.15Å; A675-L679 PolarHBondContact O-N 3.16Å; M676-L679 PolarHBondContact O-N 3.11Å; L679-G683 PolarHBondContact O-N 3.06Å
680L91.8Very high84.8Confident112 Ų11298.3 Ų98.359%0.58654%0.539SS*.Hα-helixtrans-61.7-47.5174.8-169.380.1000111.4M676 V677 M678 G683 L684M676-L680 WeakPolarHBondContact O-CB 3.41Å; M676-L680 PolarHBondContact O-N 2.94Å; V677-L680 PolarHBondContact O-N 3.06Å; M678-L680 VanDerWaalsContact C-N 3.35Å; M678-L680 PolarHBondContact O-N 3.06Å; L680-G683 PolarHBondContact O-N 3.21Å; L680-L684 HydrophobicContact CG-CD1 4.35Å; L680-L684 WeakPolarHBondContact O-CG 3.46Å; L680-L684 PolarHBondContact O-N 2.96Å
681N86.1Confident84.8Confident93 Ų93101.8 Ų101.850%0.49755%0.55SS..Hα-helixtrans-67.3-37.3-179.1-71-15.2000112.3V677 M678 L684 A685V677-N681 PolarHBondContact O-N 3.27Å; M678-N681 PolarHBondContact O-N 3.2Å; N681-L684 PolarHBondContact O-N 3.07Å; N681-A685 WeakPolarHBondContact O-CB 3.47Å; N681-A685 PolarHBondContact O-N 3.27Å
682I91.3Very high84.6Confident97 Ų97103.8 Ų103.850%0.49755%0.553SS.*Hα-helixtrans-63.8-44.2172.7-68.2163.7000110.5M678 L684 A685 I686M678-I682 WeakPolarHBondContact O-CD1 3.27Å; M678-I682 VanDerWaalsContact O-CG1 3.28Å; M678-I682 WeakPolarHBondContact O-CG1 3.33Å; M678-I682 PolarHBondContact O-N 3.44Å; I682-L684 PolarHBondContact O-N 2.97Å; I682-A685 PolarHBondContact O-N 3.39Å; I682-I686 HydrophobicContact CG2-CD1 3.86Å; I682-I686 VanDerWaalsContact O-CG1 3.32Å; I682-I686 WeakPolarHBondContact O-CG1 3.45Å; I682-I686 PolarHBondContact O-N 3.05Å
683G87.8Confident83.7Confident30 Ų30105.2 Ų105.231%0.30957%0.568SS.*Hα-helixtrans-60.3-44.7175.800000112.9L679 L680 I686 I687L679-G683 PolarHBondContact O-N 3.06Å; L680-G683 PolarHBondContact O-N 3.21Å; G683-I686 PolarHBondContact O-N 3.23Å; G683-I687 WeakPolarHBondContact O-CG1 3.39Å; G683-I687 PolarHBondContact O-N 2.68Å
684L89.5Confident84Confident100 Ų100105.2 Ų105.252%0.52457%0.568SS.*Hα-helixtrans-62.7-41.9175-74168.4000112.1L680 N681 I682 I687 F688L680-L684 HydrophobicContact CG-CD1 4.35Å; L680-L684 WeakPolarHBondContact O-CG 3.46Å; L680-L684 PolarHBondContact O-N 2.96Å; N681-L684 PolarHBondContact O-N 3.07Å; I682-L684 PolarHBondContact O-N 2.97Å; L684-I687 PolarHBondContact O-N 2.86Å; L684-F688 WeakPolarHBondContact O-CB 3.49Å; L684-F688 PolarHBondContact O-N 2.91Å
685A87.7Confident84.1Confident54 Ų54106.7 Ų106.745%0.44657%0.574SS.*Hα-helixtrans-63.5-41.4176.800000112.5N681 I682 F688 V689N681-A685 WeakPolarHBondContact O-CB 3.47Å; N681-A685 PolarHBondContact O-N 3.27Å; I682-A685 PolarHBondContact O-N 3.39Å; A685-F688 PolarHBondContact O-N 3.26Å; A685-V689 WeakPolarHBondContact O-CG2 3.42Å; A685-V689 PolarHBondContact O-N 3.46Å
686I88.4Confident84.3Confident110 Ų110110 Ų11056%0.56458%0.584SS**Hα-helixtrans-62-44.7175.5-68.7164.2000110.8I682 G683 F688 V689 H690I682-I686 HydrophobicContact CG2-CD1 3.86Å; I682-I686 VanDerWaalsContact O-CG1 3.32Å; I682-I686 WeakPolarHBondContact O-CG1 3.45Å; I682-I686 PolarHBondContact O-N 3.05Å; G683-I686 PolarHBondContact O-N 3.23Å; I686-F688 VanDerWaalsContact C-N 3.34Å; I686-F688 PolarHBondContact O-N 3.46Å; I686-V689 PolarHBondContact O-N 3.09Å; I686-H690 WeakPolarHBondContact O-CB 3.42Å; I686-H690 PolarHBondContact O-N 2.92Å
687I87.1Confident84.3Confident98 Ų98109.1 Ų109.150%0.50358%0.582SS.*Hα-helixtrans-61.6-43.8175.6-67.8163.8000110.5G683 L684 V689 H690 F691G683-I687 WeakPolarHBondContact O-CG1 3.39Å; G683-I687 PolarHBondContact O-N 2.68Å; L684-I687 PolarHBondContact O-N 2.86Å; I687-V689 PolarHBondContact O-N 2.82Å; I687-H690 CarbonylContact O-C 3.56Å; I687-H690 PolarHBondContact O-N 3.28Å; I687-F691 HydrophobicContact CG2-CD2 3.86Å; I687-F691 HydrophobicContact CG2-CE2 4.01Å; I687-F691 WeakPolarHBondContact O-CD2 3.48Å; I687-F691 PolarHBondContact O-N 3.38Å; I687-F691 VanDerWaalsContact O-N 3.08Å
688F86.6Confident84Confident142 Ų142110.8 Ų110.862%0.62359%0.587SS**Hα-helixtrans-65.4-39.1-178.4-154.2-102.2000112.6L684 A685 I686 F691 L692L684-F688 WeakPolarHBondContact O-CB 3.49Å; L684-F688 PolarHBondContact O-N 2.91Å; A685-F688 PolarHBondContact O-N 3.26Å; I686-F688 VanDerWaalsContact C-N 3.34Å; I686-F688 PolarHBondContact O-N 3.46Å; F688-F691 PolarHBondContact O-N 2.93Å; F688-L692 HydrophobicContact CD1-CD1 3.69Å; F688-L692 HydrophobicContact CE1-CD1 3.62Å; F688-L692 WeakPolarHBondContact O-CG 3.46Å; F688-L692 PolarHBondContact O-N 2.97Å
689V83.9Confident83.8Confident93 Ų93110.2 Ų110.256%0.56459%0.587SS**Hα-helixtrans-62.9-44.5171.6171.50000110.8A685 I686 I687 F691 L692 T693A685-V689 WeakPolarHBondContact O-CG2 3.42Å; A685-V689 PolarHBondContact O-N 3.46Å; I686-V689 PolarHBondContact O-N 3.09Å; I687-V689 PolarHBondContact O-N 2.82Å; V689-F691 PolarHBondContact O-N 3.04Å; V689-L692 PolarHBondContact O-N 2.96Å; V689-T693 HydrophobicContact CG1-CG2 4.48Å; V689-T693 PolarHBondContact O-N 3.01Å; V689-T693 PolarHBondContact O-OG1 3.3Å
690H76.6Confident83.3Confident145 Ų145109.4 Ų109.467%0.67158%0.584SS**Hα-helixtrans-70.8-7.2179.7-153.4-38000114I686 I687I686-H690 WeakPolarHBondContact O-CB 3.42Å; I686-H690 PolarHBondContact O-N 2.92Å; I687-H690 CarbonylContact O-C 3.56Å; I687-H690 PolarHBondContact O-N 3.28Å
691F77Confident82.6Confident173 Ų173109.2 Ų109.276%0.75958%0.584SS**THydrogen-bonded Turntrans-99.1-3.6168.7-93.1-77000113.5I687 F688 V689I687-F691 HydrophobicContact CG2-CD2 3.86Å; I687-F691 HydrophobicContact CG2-CE2 4.01Å; I687-F691 WeakPolarHBondContact O-CD2 3.48Å; I687-F691 PolarHBondContact O-N 3.38Å; I687-F691 VanDerWaalsContact O-N 3.08Å; F688-F691 PolarHBondContact O-N 2.93Å; V689-F691 PolarHBondContact O-N 3.04Å
692L73.4Confident82.3Confident132 Ų132110.6 Ų110.669%0.69159%0.591SS**  trans-117.99.8-179.5-68.1174.7000113.1F688 V689F688-L692 HydrophobicContact CD1-CD1 3.69Å; F688-L692 HydrophobicContact CE1-CD1 3.62Å; F688-L692 WeakPolarHBondContact O-CG 3.46Å; F688-L692 PolarHBondContact O-N 2.97Å; V689-L692 PolarHBondContact O-N 2.96Å
693T58.9Low81.5Confident153 Ų153111.8 Ų111.894%0.93960%0.599SS**  trans-131.60174.859.10000110.4V689V689-T693 HydrophobicContact CG1-CG2 4.48Å; V689-T693 PolarHBondContact O-N 3.01Å; V689-T693 PolarHBondContact O-OG1 3.3Å

Retrieved 693 of 693 residues in 569.2 ms (Link to these results)

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