A0A3Q0KIY2_SCHMA Loading...

Mannose-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A3Q0KIY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 477 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
1M91.8Very high96.4Very high4 Ų449.1 Ų49.12%0.0223%0.231CC..  0135.70168166.247.300106.2R402 F437 F446 I447 F453M1-R402 HydrophobicContact CE-CB 3.48Å; M1-R402 VanDerWaalsContact CE-CB 3.48Å; M1-R402 HydrophobicContact CE-CG 4.16Å; M1-F437 HydrophobicContact CB-CE2 4.28Å; M1-F437 HydrophobicContact CE-CD2 3.94Å; M1-F437 HydrophobicContact CE-CE2 3.91Å; M1-F437 HydrophobicContact CG-CD2 4.34Å; M1-F437 HydrophobicContact CG-CE2 4.03Å; M1-F437 VanDerWaalsContact O-CZ 3.28Å; M1-F437 WeakPolarHBondContact O-CZ 3.02Å; M1-F437 HydrophobicContact SD-CD2 4.43Å; M1-F446 CarbonylContact C-O 3.52Å; M1-F446 WeakPolarHBondContact CA-O 3.49Å; M1-I447 HydrophobicContact CG-CG1 4.05Å; M1-I447 HydrophobicContact SD-CD1 4.21Å; M1-I447 HydrophobicContact SD-CG1 3.95Å; M1-F453 HydrophobicContact CE-CB 4.2Å
2F92.3Very high96.4Very high60 Ų6053.5 Ų53.526%0.26326%0.258SS..EExtended strand (participates in β ladder)trans-142.5147.5-174.6-49.6-80000110.5Y64 F445 F446F2-Y64 HydrophobicContact CD2-CE1 4.39Å; F2-Y64 AromaticContact CE2-CE1 3.85Å; F2-Y64 HydrophobicContact CE2-CE1 3.85Å; F2-Y64 HydrophobicContact CE2-CE2 4.1Å; F2-Y64 AromaticContact CE2-CZ 3.48Å; F2-Y64 VanDerWaalsContact CE2-CZ 3.48Å; F2-Y64 VanDerWaalsContact CE2-OH 3.3Å; F2-Y64 WeakPolarHBondContact CE2-OH 3.16Å; F2-Y64 HydrophobicContact CZ-CE2 4.18Å; F2-Y64 AromaticContact CZ-CZ 3.93Å; F2-F445 CarbonylContact O-C 3.56Å; F2-F445 WeakPolarHBondContact O-CA 3.35Å; F2-F446 HydrophobicContact CD2-CD1 4.43Å; F2-F446 PolarHBondContact N-O 3.43Å; F2-F446 PolarHBondContact O-N 2.87Å
3R96.3Very high96.5Very high56 Ų5652.3 Ų52.321%0.21125%0.249CC..EExtended strand (participates in β ladder)trans-79.1140.6168.6-169172.7-179.1171.30110M54 S443 V444 F445R3-M54 HydrophobicContact CB-CB 3.89Å; R3-M54 HydrophobicContact CG-CB 4Å; R3-M54 HydrophobicContact CG-CG 4.3Å; R3-M54 WeakPolarHBondContact O-CB 3.37Å; R3-M54 PolarHBondContact O-N 2.9Å; R3-S443 VanDerWaalsContact CZ-OG 3.29Å; R3-S443 PolarHBondContact NH2-OG 2.91Å; R3-V444 CarbonylContact C-O 3.5Å; R3-V444 WeakPolarHBondContact CA-O 3.46Å; R3-V444 WeakPolarHBondContact CG-O 3.47Å; R3-F445 HydrophobicContact CB-CD1 4.12Å; R3-F445 HydrophobicContact CB-CE1 3.96Å; R3-F445 HydrophobicContact CG-CE1 4.18Å
4L97.3Very high96.7Very high8 Ų848.6 Ų48.64%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-106.4138.7179.4-61.7-177.3000111.5F52 L61 V444 F446L4-F52 CarbonylContact C-O 3.55Å; L4-F52 VanDerWaalsContact CA-O 3.31Å; L4-F52 WeakPolarHBondContact CA-O 3.36Å; L4-L61 HydrophobicContact CD1-CD2 3.99Å; L4-L61 HydrophobicContact CD2-CD1 4.37Å; L4-L61 HydrophobicContact CD2-CD2 4.44Å; L4-V444 HydrophobicContact CB-CB 4.24Å; L4-V444 HydrophobicContact CB-CG1 4.16Å; L4-V444 HydrophobicContact CD1-CG1 4.06Å; L4-V444 PolarHBondContact N-O 2.99Å; L4-F446 HydrophobicContact CD1-CB 4.1Å; L4-F446 HydrophobicContact CD2-CB 4.04Å; L4-F446 HydrophobicContact CG-CB 4.15Å
5K96.8Very high96.8Very high111 Ų11147.9 Ų47.948%0.48323%0.227SC..EExtended strand (participates in β ladder)trans-91119.6157.6-176.4175.4-178.41750108.2S51 F52 M54K5-S51 CarbonylContact O-C 3.53Å; K5-S51 WeakPolarHBondContact O-CA 3.33Å; K5-F52 PolarHBondContact N-O 3.25Å; K5-F52 PolarHBondContact O-N 3.03Å; K5-M54 HydrophobicContact CB-SD 3.99Å
6C97.4Very high96.9Very high19 Ų1947.8 Ų47.813%0.12823%0.228CC..  trans-106.4153.6-171-66.50000111.9L41 W42 M43C6-L41 HydrophobicContact CB-CD1 3.81Å; C6-L41 HydrophobicContact CB-CG 4.5Å; C6-W42 VanDerWaalsContact CB-O 3.27Å; C6-W42 WeakPolarHBondContact CB-O 3.31Å; C6-M43 HydrophobicContact CB-CG 4.28Å
7A97.3Very high97Very high22 Ų2245 Ų4518%0.18221%0.214CC..EExtended strand (participates in β ladder)trans-81.8154.5176.300000110.3W42A7-W42 HydrophobicContact CB-CB 4.4Å; A7-W42 PolarHBondContact N-O 3.25Å; A7-W42 PolarHBondContact O-N 3.37Å
8F97.8Very high97Very high65 Ų6546.7 Ų46.729%0.28523%0.228SC..EExtended strand (participates in β ladder)trans-141.4156.2175.667-83000111.1V10 L26 Y38 E40 L41F8-V10 HydrophobicContact CD2-CG1 4.28Å; F8-V10 HydrophobicContact CE2-CG1 4.17Å; F8-L26 HydrophobicContact CB-CD1 3.6Å; F8-L26 HydrophobicContact CB-CD2 4.35Å; F8-L26 HydrophobicContact CD1-CD1 3.9Å; F8-L26 HydrophobicContact CD1-CD2 3.97Å; F8-L26 HydrophobicContact CD2-CD1 3.73Å; F8-L26 HydrophobicContact CE2-CD1 4.4Å; F8-L26 HydrophobicContact CG-CD1 3.45Å; F8-L26 VanDerWaalsContact CG-CD1 3.45Å; F8-L26 HydrophobicContact CG-CD2 4.28Å; F8-Y38 HydrophobicContact CD2-CD1 4.09Å; F8-Y38 HydrophobicContact CD2-CE1 4.11Å; F8-Y38 HydrophobicContact CE2-CD1 4.28Å; F8-Y38 AromaticContact CE2-CE1 3.83Å; F8-Y38 HydrophobicContact CE2-CE1 3.83Å; F8-E40 CarbonylContact C-O 3.49Å; F8-E40 WeakPolarHBondContact CA-O 3.36Å; F8-E40 VanDerWaalsContact CB-O 3.27Å; F8-E40 WeakPolarHBondContact CB-O 3.37Å; F8-L41 HydrophobicContact CB-CD1 4.4Å
9Q97.9Very high97.1Very high41 Ų4150.2 Ų50.219%0.19225%0.248CC..EExtended strand (participates in β ladder)trans-122.7138.3-176.7-55.1-61.7-27.600110.9Y11 A39 E40 W42Q9-Y11 HydrophobicContact CB-CD1 4.47Å; Q9-Y11 HydrophobicContact CB-CD2 3.75Å; Q9-Y11 HydrophobicContact CB-CE1 4.15Å; Q9-Y11 HydrophobicContact CB-CE2 3.42Å; Q9-Y11 VanDerWaalsContact CB-CE2 3.42Å; Q9-Y11 HydrophobicContact CB-CG 4.28Å; Q9-Y11 HydrophobicContact CG-CD2 4.5Å; Q9-Y11 HydrophobicContact CG-CE2 3.69Å; Q9-Y11 PolarHBondContact OE1-OH 3.13Å; Q9-A39 WeakPolarHBondContact O-CB 3.39Å; Q9-A39 PolarHBondContact O-N 3.49Å; Q9-E40 HydrophobicContact CB-CB 4.11Å; Q9-E40 HydrophobicContact CB-CG 4.45Å; Q9-E40 HydrophobicContact CG-CB 4.32Å; Q9-E40 PolarHBondContact N-O 3.25Å; Q9-E40 PolarHBondContact O-N 3.11Å; Q9-W42 HydrophobicContact CG-CZ2 4.38Å
10V97.7Very high97.1Very high64 Ų6447.7 Ų47.739%0.38824%0.235SC..  trans-110.756.5178.9-70.80000111.5F8 K36 P37 Y38F8-V10 HydrophobicContact CD2-CG1 4.28Å; F8-V10 HydrophobicContact CE2-CG1 4.17Å; V10-K36 HydrophobicContact CG1-CB 4.44Å; V10-P37 CarbonylContact C-O 3.59Å; V10-P37 VanDerWaalsContact C-O 3.23Å; V10-P37 WeakPolarHBondContact CA-O 3.47Å; V10-Y38 HydrophobicContact CG1-CD1 3.92Å; V10-Y38 HydrophobicContact CG1-CE1 3.96Å; V10-Y38 HydrophobicContact CG1-CG 4.35Å
11Y97.8Very high97.2Very high90 Ų9045.6 Ų45.635%0.35323%0.225SC..  trans-74.8147.3-179.7-59.6-44.7000112Q9 W13 G14 P37 A39 E40Q9-Y11 HydrophobicContact CB-CD1 4.47Å; Q9-Y11 HydrophobicContact CB-CD2 3.75Å; Q9-Y11 HydrophobicContact CB-CE1 4.15Å; Q9-Y11 HydrophobicContact CB-CE2 3.42Å; Q9-Y11 VanDerWaalsContact CB-CE2 3.42Å; Q9-Y11 HydrophobicContact CB-CG 4.28Å; Q9-Y11 HydrophobicContact CG-CD2 4.5Å; Q9-Y11 HydrophobicContact CG-CE2 3.69Å; Q9-Y11 PolarHBondContact OE1-OH 3.13Å; Y11-W13 VanDerWaalsContact CB-NE1 3.35Å; Y11-W13 AromaticContact CD2-CE2 3.86Å; Y11-W13 AromaticContact CD2-CZ2 3.75Å; Y11-W13 HydrophobicContact CD2-CZ2 3.75Å; Y11-W13 AromaticContact CD2-NE1 3.65Å; Y11-W13 AromaticContact CG-NE1 3.81Å; Y11-W13 PolarHBondContact O-N 2.88Å; Y11-G14 PolarHBondContact O-N 2.87Å; Y11-P37 PolarHBondContact N-O 2.87Å; Y11-P37 VanDerWaalsContact O-CB 3.29Å; Y11-P37 WeakPolarHBondContact O-CB 3.27Å; Y11-P37 WeakPolarHBondContact O-CG 3.42Å; Y11-A39 HydrophobicContact CD2-CB 4.16Å; Y11-A39 HydrophobicContact CG-CB 4.38Å; Y11-E40 HydrophobicContact CD2-CG 4.35Å; Y11-E40 HydrophobicContact CE2-CG 4.45Å; Y11-E40 WeakPolarHBondContact CE2-OE2 3.49Å
12D97Very high97.5Very high102 Ų10245.4 Ų45.455%0.54522%0.224SC..THydrogen-bonded Turntrans-56.4-26.6-176-178.454.1000114.4G14 R94 K95D12-G14 PolarHBondContact O-N 2.54Å; D12-R94 PolarHBondContact O-NH2 2.98Å; D12-R94 IonicContact OD1-NH2 3.12Å; D12-K95 IonicContact OD1-NZ 2.76Å; D12-K95 IonicContact OD2-NZ 3.54Å; D12-K95 PolarHBondContact OD2-NZ 3.29Å
13W97.9Very high97.8Very high38 Ų3844.2 Ų44.214%0.14422%0.218CC..THydrogen-bonded Turntrans-74.8-10.6176.958.6-105.1000113.7Y11 A39 E40 L91 V93 R94 K95 L97Y11-W13 VanDerWaalsContact CB-NE1 3.35Å; Y11-W13 AromaticContact CD2-CE2 3.86Å; Y11-W13 AromaticContact CD2-CZ2 3.75Å; Y11-W13 HydrophobicContact CD2-CZ2 3.75Å; Y11-W13 AromaticContact CD2-NE1 3.65Å; Y11-W13 AromaticContact CG-NE1 3.81Å; Y11-W13 PolarHBondContact O-N 2.88Å; W13-A39 HydrophobicContact CD2-CB 4.19Å; W13-A39 HydrophobicContact CE3-CB 4.01Å; W13-A39 HydrophobicContact CH2-CB 3.64Å; W13-A39 HydrophobicContact CZ2-CB 3.81Å; W13-A39 HydrophobicContact CZ3-CB 3.71Å; W13-E40 HydrophobicContact CH2-CG 3.43Å; W13-E40 VanDerWaalsContact CH2-CG 3.43Å; W13-E40 HydrophobicContact CZ2-CG 3.63Å; W13-E40 VanDerWaalsContact CZ2-OE1 3.28Å; W13-E40 WeakPolarHBondContact CZ2-OE1 3.45Å; W13-L91 HydrophobicContact CH2-CD2 4.29Å; W13-V93 HydrophobicContact CZ3-CG2 4.01Å; W13-R94 WeakPolarHBondContact O-CA 3.46Å; W13-R94 WeakPolarHBondContact O-CB 3.3Å; W13-R94 PolarHBondContact O-N 3.3Å; W13-K95 HydrophobicContact CB-CB 4Å; W13-K95 PolarHBondContact O-N 3.25Å; W13-L97 HydrophobicContact CD2-CD1 3.76Å; W13-L97 HydrophobicContact CD2-CG 4.3Å; W13-L97 HydrophobicContact CE3-CD1 3.58Å; W13-L97 HydrophobicContact CG-CD1 4.3Å; W13-L97 HydrophobicContact CH2-CD1 4.22Å; W13-L97 HydrophobicContact CH2-CD2 4.42Å; W13-L97 HydrophobicContact CZ2-CD1 4.4Å; W13-L97 HydrophobicContact CZ2-CD2 4.31Å; W13-L97 HydrophobicContact CZ2-CG 4.49Å; W13-L97 HydrophobicContact CZ3-CD1 3.85Å
14G98.5Very high97.9Very high0 Ų044.8 Ų44.80%022%0.222CC..BIsolated β-bridgetrans-69.9158.2-178.100000114.2Y11 D12 P37 S92 R94Y11-G14 PolarHBondContact O-N 2.87Å; D12-G14 PolarHBondContact O-N 2.54Å; G14-P37 WeakPolarHBondContact O-CB 3.36Å; G14-S92 CarbonylContact C-O 3.5Å; G14-S92 VanDerWaalsContact CA-O 3.28Å; G14-S92 WeakPolarHBondContact CA-O 3.32Å; G14-R94 WeakPolarHBondContact O-CB 3.31Å; G14-R94 PolarHBondContact O-NE 3.35Å
15K98.8Very high97.9Very high38 Ų3844.6 Ų44.617%0.16522%0.221CC..EExtended strand (participates in β ladder)trans-68.8146.7171.3-67.7-174.5-173.8-176.30111.4N19 P37 Y38 S92 V93 R94 D279K15-N19 WeakPolarHBondContact CD-O 3.31Å; K15-P37 CarbonylContact O-C 3.5Å; K15-P37 WeakPolarHBondContact O-CA 3.4Å; K15-Y38 PolarHBondContact O-N 3.42Å; K15-S92 PolarHBondContact N-O 3.43Å; K15-V93 WeakPolarHBondContact CE-O 3.04Å; K15-R94 HydrophobicContact CB-CB 4.41Å; K15-R94 HydrophobicContact CG-CB 3.86Å; K15-D279 VanDerWaalsContact NZ-CG 3.26Å; K15-D279 IonicContact NZ-OD1 3.62Å; K15-D279 PolarHBondContact NZ-OD1 3.1Å; K15-D279 IonicContact NZ-OD2 3.6Å; K15-D279 PolarHBondContact NZ-OD2 3.27Å
16I98.6Very high98Very high47 Ų4739.7 Ų39.724%0.24120%0.2CC..EExtended strand (participates in β ladder)trans-84.7125.1-176.1-56.4-52.9000110.9V18 N19 K36 P37 R94I16-V18 PolarHBondContact O-N 3.09Å; I16-N19 WeakPolarHBondContact O-CB 3.36Å; I16-N19 PolarHBondContact O-N 2.94Å; I16-N19 VanDerWaalsContact O-N 3.15Å; I16-K36 WeakPolarHBondContact CA-O 3.24Å; I16-P37 HydrophobicContact CD1-CB 3.64Å; I16-R94 VanDerWaalsContact CD1-NH1 3.29Å
17G97.8Very high97.9Very high0 Ų040.9 Ų40.90%021%0.209CC..G310 helixtrans50.6-133.4168.800000113.7N19 S20 Y23 N34 K36G17-N19 PolarHBondContact O-N 3.13Å; G17-S20 VanDerWaalsContact O-CB 3.26Å; G17-S20 WeakPolarHBondContact O-CB 3.41Å; G17-S20 PolarHBondContact O-N 2.7Å; G17-Y23 VanDerWaalsContact C-CG 3.44Å; G17-Y23 WeakPolarHBondContact O-CB 3.34Å; G17-Y23 VanDerWaalsContact O-CG 3.32Å; G17-N34 VanDerWaalsContact CA-O 3.26Å; G17-N34 WeakPolarHBondContact CA-O 3.45Å; G17-N34 VanDerWaalsContact CA-OD1 3.23Å; G17-N34 WeakPolarHBondContact CA-OD1 3.29Å; G17-K36 PolarHBondContact N-O 2.73Å
18V97.4Very high97.5Very high75 Ų7544.7 Ų44.746%0.45522%0.222SC..G310 helixtrans-54.3-18.1-179.1-69.30000115.4I16 S20 Y23 K24 N34I16-V18 PolarHBondContact O-N 3.09Å; V18-S20 VanDerWaalsContact C-N 3.28Å; V18-Y23 HydrophobicContact CB-CE1 4.4Å; V18-Y23 HydrophobicContact CG1-CD1 4.16Å; V18-Y23 HydrophobicContact CG1-CE1 3.58Å; V18-K24 WeakPolarHBondContact O-CE 3.46Å; V18-N34 WeakPolarHBondContact CG1-OD1 3.4Å; V18-N34 PolarHBondContact N-OD1 3.25Å
19N98.1Very high97Very high114 Ų11444.5 Ų44.561%0.6123%0.227SC*.G310 helixtrans-78.9-13.7175.6-62.4-48.8000112.9K15 I16 G17K15-N19 WeakPolarHBondContact CD-O 3.31Å; I16-N19 WeakPolarHBondContact O-CB 3.36Å; I16-N19 PolarHBondContact O-N 2.94Å; I16-N19 VanDerWaalsContact O-N 3.15Å; G17-N19 PolarHBondContact O-N 3.13Å
20S98.6Very high96.6Very high0 Ų045.5 Ų45.50%023%0.231CC..  trans-87127.5175.7176.50000110.8G17 V18 V22 Y23 K24 Y38 S92G17-S20 VanDerWaalsContact O-CB 3.26Å; G17-S20 WeakPolarHBondContact O-CB 3.41Å; G17-S20 PolarHBondContact O-N 2.7Å; V18-S20 VanDerWaalsContact C-N 3.28Å; S20-V22 PolarHBondContact O-N 3Å; S20-V22 WeakPolarHBondContact OG-CB 3.35Å; S20-V22 PolarHBondContact OG-N 3.32Å; S20-Y23 WeakPolarHBondContact O-CB 3.4Å; S20-Y23 PolarHBondContact O-N 2.89Å; S20-Y23 PolarHBondContact OG-N 3.03Å; S20-K24 WeakPolarHBondContact O-CG 3.18Å; S20-K24 PolarHBondContact O-N 3.47Å; S20-Y38 VanDerWaalsContact OG-CB 3.3Å; S20-Y38 WeakPolarHBondContact OG-CB 3.41Å; S20-Y38 PolarHBondContact OG-O 3.15Å; S20-S92 WeakPolarHBondContact OG-CB 3.38Å; S20-S92 PolarHBondContact OG-OG 2.83Å; S20-S92 VanDerWaalsContact OG-OG 3.13Å
21E98.5Very high96.4Very high4 Ų451.8 Ų51.82%0.01926%0.257CS..Hα-helixtrans-61-37.7169.5-162.567.5-177.500111.2Y23 K24 L25 V90 S92 L132 D279E21-Y23 VanDerWaalsContact C-N 3.3Å; E21-Y23 PolarHBondContact O-N 3.25Å; E21-K24 PolarHBondContact O-N 2.9Å; E21-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 IonicContact OE2-NZ 3.58Å; E21-K24 PolarHBondContact OE2-NZ 3.37Å; E21-L25 HydrophobicContact CG-CD1 4.21Å; E21-L25 HydrophobicContact CG-CG 4.44Å; E21-L25 VanDerWaalsContact O-CG 3.25Å; E21-L25 WeakPolarHBondContact O-CG 3.34Å; E21-L25 PolarHBondContact O-N 3.24Å; E21-V90 HydrophobicContact CB-CG1 4.5Å; E21-V90 HydrophobicContact CG-CG1 4.49Å; E21-S92 PolarHBondContact N-OG 2.86Å; E21-L132 HydrophobicContact CG-CD1 4.04Å; E21-D279 HydrophobicContact CB-CB 3.8Å; E21-D279 PolarHBondContact N-OD1 2.72Å
22V98.6Very high96.4Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-57-43.1174.1172.70000111.5S20 L25 L26 L41 V90 S92S20-V22 PolarHBondContact O-N 3Å; S20-V22 WeakPolarHBondContact OG-CB 3.35Å; S20-V22 PolarHBondContact OG-N 3.32Å; V22-L25 PolarHBondContact O-N 3.28Å; V22-L26 HydrophobicContact CG1-CD1 3.69Å; V22-L26 HydrophobicContact CG1-CG 4.46Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 WeakPolarHBondContact O-CD1 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.31Å; V22-L26 PolarHBondContact O-N 3.42Å; V22-L26 VanDerWaalsContact O-N 3.07Å; V22-L41 HydrophobicContact CG1-CB 4.15Å; V22-L41 HydrophobicContact CG2-CB 4.24Å; V22-V90 HydrophobicContact CG2-CB 4.32Å; V22-V90 HydrophobicContact CG2-CG1 4.07Å; V22-V90 WeakPolarHBondContact CG2-O 3.29Å; V22-S92 PolarHBondContact N-OG 3.42Å; V22-S92 VanDerWaalsContact N-OG 3.11Å
23Y98.5Very high96.4Very high35 Ų3547.5 Ų47.514%0.13724%0.24CC..Hα-helixtrans-59.6-48.7174.6176.1-83.7000111.6G17 V18 S20 E21 L25 L26 S27 L32 N34 Y38G17-Y23 VanDerWaalsContact C-CG 3.44Å; G17-Y23 WeakPolarHBondContact O-CB 3.34Å; G17-Y23 VanDerWaalsContact O-CG 3.32Å; V18-Y23 HydrophobicContact CB-CE1 4.4Å; V18-Y23 HydrophobicContact CG1-CD1 4.16Å; V18-Y23 HydrophobicContact CG1-CE1 3.58Å; S20-Y23 WeakPolarHBondContact O-CB 3.4Å; S20-Y23 PolarHBondContact O-N 2.89Å; S20-Y23 PolarHBondContact OG-N 3.03Å; E21-Y23 VanDerWaalsContact C-N 3.3Å; E21-Y23 PolarHBondContact O-N 3.25Å; Y23-L25 VanDerWaalsContact C-N 3.29Å; Y23-L25 PolarHBondContact O-N 3.43Å; Y23-L26 PolarHBondContact O-N 2.82Å; Y23-S27 WeakPolarHBondContact O-CB 3.43Å; Y23-S27 PolarHBondContact O-N 2.63Å; Y23-S27 PolarHBondContact O-OG 3.32Å; Y23-L32 HydrophobicContact CD2-CB 3.87Å; Y23-L32 HydrophobicContact CD2-CD1 3.6Å; Y23-L32 HydrophobicContact CD2-CG 4.41Å; Y23-L32 HydrophobicContact CE2-CB 3.4Å; Y23-L32 HydrophobicContact CE2-CD1 3.88Å; Y23-L32 HydrophobicContact CE2-CG 4.31Å; Y23-L32 HydrophobicContact CG-CD1 4.03Å; Y23-L32 WeakPolarHBondContact O-CD1 3.33Å; Y23-N34 HydrophobicContact CE2-CB 4.47Å; Y23-Y38 AromaticContact CD2-CD2 3.67Å; Y23-Y38 HydrophobicContact CD2-CD2 3.67Å; Y23-Y38 AromaticContact CD2-CE2 3.47Å; Y23-Y38 HydrophobicContact CD2-CE2 3.47Å; Y23-Y38 VanDerWaalsContact CD2-CE2 3.47Å; Y23-Y38 HydrophobicContact CD2-CG 4.32Å; Y23-Y38 AromaticContact CD2-CZ 3.95Å; Y23-Y38 HydrophobicContact CE2-CE2 4.14Å; Y23-Y38 HydrophobicContact CG-CD2 4.31Å
24K97.8Very high96.3Very high68 Ų6849.1 Ų49.130%0.29625%0.251SS..Hα-helixtrans-64.3-33.4-177.4-63.1178.7-147.6151.40112.9V18 S20 E21 S27 Q441V18-K24 WeakPolarHBondContact O-CE 3.46Å; S20-K24 WeakPolarHBondContact O-CG 3.18Å; S20-K24 PolarHBondContact O-N 3.47Å; E21-K24 PolarHBondContact O-N 2.9Å; E21-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 IonicContact OE2-NZ 3.58Å; E21-K24 PolarHBondContact OE2-NZ 3.37Å; K24-S27 PolarHBondContact O-OG 2.85Å; K24-Q441 PolarHBondContact O-NE2 3.36Å
25L98Very high96.3Very high3 Ų355.8 Ų55.82%0.01629%0.286CS..Hα-helixtrans-70.9-40175.4-65.5167.4000110.9E21 V22 Y23 L41 V90 I392 I394 Q441 G442E21-L25 HydrophobicContact CG-CD1 4.21Å; E21-L25 HydrophobicContact CG-CG 4.44Å; E21-L25 VanDerWaalsContact O-CG 3.25Å; E21-L25 WeakPolarHBondContact O-CG 3.34Å; E21-L25 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 3.28Å; Y23-L25 VanDerWaalsContact C-N 3.29Å; Y23-L25 PolarHBondContact O-N 3.43Å; L25-L41 HydrophobicContact CB-CD2 4.37Å; L25-L41 HydrophobicContact CD1-CD2 4.18Å; L25-V90 HydrophobicContact CD1-CB 4.03Å; L25-V90 HydrophobicContact CD1-CG1 3.81Å; L25-V90 HydrophobicContact CD1-CG2 3.84Å; L25-I392 HydrophobicContact CD1-CD1 4.13Å; L25-I394 HydrophobicContact CD1-CD1 4.26Å; L25-I394 HydrophobicContact CD2-CD1 4.27Å; L25-Q441 HydrophobicContact CD2-CG 3.96Å; L25-G442 WeakPolarHBondContact O-CA 3.39Å
26L97.4Very high96.3Very high9 Ų958.6 Ų58.65%0.04730%0.298CS..Hα-helixtrans-76.5-33.1-179.2-72.1167.6000113.3F8 V22 Y23 Q28 T29 Q30 L32 Y38 L41F8-L26 HydrophobicContact CB-CD1 3.6Å; F8-L26 HydrophobicContact CB-CD2 4.35Å; F8-L26 HydrophobicContact CD1-CD1 3.9Å; F8-L26 HydrophobicContact CD1-CD2 3.97Å; F8-L26 HydrophobicContact CD2-CD1 3.73Å; F8-L26 HydrophobicContact CE2-CD1 4.4Å; F8-L26 HydrophobicContact CG-CD1 3.45Å; F8-L26 VanDerWaalsContact CG-CD1 3.45Å; F8-L26 HydrophobicContact CG-CD2 4.28Å; V22-L26 HydrophobicContact CG1-CD1 3.69Å; V22-L26 HydrophobicContact CG1-CG 4.46Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 WeakPolarHBondContact O-CD1 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.31Å; V22-L26 PolarHBondContact O-N 3.42Å; V22-L26 VanDerWaalsContact O-N 3.07Å; Y23-L26 PolarHBondContact O-N 2.82Å; L26-Q28 PolarHBondContact O-N 3.33Å; L26-T29 PolarHBondContact O-N 3.19Å; L26-T29 PolarHBondContact O-OG1 3.42Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; L26-Q30 PolarHBondContact O-N 2.96Å; L26-L32 HydrophobicContact CB-CD1 3.56Å; L26-L32 HydrophobicContact CB-CD2 4.38Å; L26-L32 HydrophobicContact CB-CG 4.48Å; L26-Y38 HydrophobicContact CD1-CD1 4.11Å; L26-Y38 HydrophobicContact CD1-CE1 4.44Å; L26-L41 HydrophobicContact CD2-CD1 3.8Å; L26-L41 HydrophobicContact CG-CD1 4.34Å
27S95.7Very high96.3Very high44 Ų4457.5 Ų57.531%0.30829%0.294SS..THydrogen-bonded Turntrans-64-13.3-171.266.60000114.5Y23 K24 T29Y23-S27 WeakPolarHBondContact O-CB 3.43Å; Y23-S27 PolarHBondContact O-N 2.63Å; Y23-S27 PolarHBondContact O-OG 3.32Å; K24-S27 PolarHBondContact O-OG 2.85Å; S27-T29 VanDerWaalsContact C-N 3.33Å
28Q88.9Confident96.3Very high101 Ų10157.9 Ų57.947%0.47230%0.296SS..THydrogen-bonded Turntrans-77.7-18.5174.7-59.5-52.9-39.400113.3L26 Q441L26-Q28 PolarHBondContact O-N 3.33Å; Q28-Q441 HydrophobicContact CG-CB 4.38Å; Q28-Q441 VanDerWaalsContact CG-O 3.25Å; Q28-Q441 WeakPolarHBondContact CG-O 3.49Å
29T87Confident96.4Very high62 Ų6254.3 Ų54.338%0.3827%0.274SS..THydrogen-bonded Turntrans-121.6-12.2-171.461.40000114L26 S27L26-T29 PolarHBondContact O-N 3.19Å; L26-T29 PolarHBondContact O-OG1 3.42Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; S27-T29 VanDerWaalsContact C-N 3.33Å
30Q90.3Very high96.4Very high61 Ų6149.7 Ų49.729%0.28525%0.249SC..SBendtrans-158.6152.7-17953.5179.162.700111.4L26 L32L26-Q30 PolarHBondContact O-N 2.96Å; Q30-L32 HydrophobicContact CG-CD2 3.95Å; Q30-L32 HydrophobicContact CG-CG 4.46Å
31E94.1Very high96.4Very high196 Ų19649.9 Ų49.992%0.91625%0.25SC*.  trans-71.2140170.7-65.3-175.4171.700110.8
32L96.7Very high96.4Very high35 Ų3550.5 Ų50.518%0.18325%0.252CS..  trans-134152.1-173.1-64.2-179000110.9Y23 L26 Q30 Y38Y23-L32 HydrophobicContact CD2-CB 3.87Å; Y23-L32 HydrophobicContact CD2-CD1 3.6Å; Y23-L32 HydrophobicContact CD2-CG 4.41Å; Y23-L32 HydrophobicContact CE2-CB 3.4Å; Y23-L32 HydrophobicContact CE2-CD1 3.88Å; Y23-L32 HydrophobicContact CE2-CG 4.31Å; Y23-L32 HydrophobicContact CG-CD1 4.03Å; Y23-L32 WeakPolarHBondContact O-CD1 3.33Å; L26-L32 HydrophobicContact CB-CD1 3.56Å; L26-L32 HydrophobicContact CB-CD2 4.38Å; L26-L32 HydrophobicContact CB-CG 4.48Å; Q30-L32 HydrophobicContact CG-CD2 3.95Å; Q30-L32 HydrophobicContact CG-CG 4.46Å; L32-Y38 WeakPolarHBondContact CB-OH 3.25Å; L32-Y38 HydrophobicContact CD1-CE1 4.16Å; L32-Y38 HydrophobicContact CD2-CE1 3.81Å; L32-Y38 HydrophobicContact CG-CE1 4.39Å
33D97.2Very high96.4Very high68 Ų6850.5 Ų50.536%0.36425%0.252SS..  trans-90109.1176.1176.5-2.5000109.8L35 K36 Y38D33-L35 PolarHBondContact O-N 3.42Å; D33-L35 WeakPolarHBondContact OD1-CB 3.34Å; D33-L35 PolarHBondContact OD1-N 2.85Å; D33-K36 HydrophobicContact CB-CD 4.01Å; D33-K36 HydrophobicContact CB-CG 4.1Å; D33-K36 PolarHBondContact O-N 2.67Å; D33-K36 VanDerWaalsContact O-N 3.1Å; D33-K36 VanDerWaalsContact OD2-CE 3.27Å; D33-K36 WeakPolarHBondContact OD2-CE 3.46Å; D33-Y38 PolarHBondContact N-OH 2.96Å; D33-Y38 VanDerWaalsContact N-OH 3.08Å; D33-Y38 VanDerWaalsContact O-CE2 3.27Å; D33-Y38 WeakPolarHBondContact O-CE2 3.3Å; D33-Y38 PolarHBondContact O-OH 3.38Å
34N96.7Very high96.3Very high71 Ų7148.9 Ų48.938%0.3825%0.246SC..THydrogen-bonded Turntrans-62.9-5.8-177.1-168.745.4000114.7G17 V18 Y23G17-N34 VanDerWaalsContact CA-O 3.26Å; G17-N34 WeakPolarHBondContact CA-O 3.45Å; G17-N34 VanDerWaalsContact CA-OD1 3.23Å; G17-N34 WeakPolarHBondContact CA-OD1 3.29Å; V18-N34 WeakPolarHBondContact CG1-OD1 3.4Å; V18-N34 PolarHBondContact N-OD1 3.25Å; Y23-N34 HydrophobicContact CE2-CB 4.47Å
35L98Very high96.3Very high140 Ų14046.5 Ų46.573%0.73324%0.237SC*.THydrogen-bonded Turntrans-95.4-8.1177.2-58.3178.8000113.6D33D33-L35 PolarHBondContact O-N 3.42Å; D33-L35 WeakPolarHBondContact OD1-CB 3.34Å; D33-L35 PolarHBondContact OD1-N 2.85Å
36K98.4Very high96.2Very high98 Ų9847.6 Ų47.643%0.42624%0.242SC..SBendtrans-86.5152-176.7-71.9-176.4-177.8172.40113.5V10 I16 G17 D33 Y38V10-K36 HydrophobicContact CG1-CB 4.44Å; I16-K36 WeakPolarHBondContact CA-O 3.24Å; G17-K36 PolarHBondContact N-O 2.73Å; D33-K36 HydrophobicContact CB-CD 4.01Å; D33-K36 HydrophobicContact CB-CG 4.1Å; D33-K36 PolarHBondContact O-N 2.67Å; D33-K36 VanDerWaalsContact O-N 3.1Å; D33-K36 VanDerWaalsContact OD2-CE 3.27Å; D33-K36 WeakPolarHBondContact OD2-CE 3.46Å; K36-Y38 HydrophobicContact CB-CD2 4.35Å; K36-Y38 HydrophobicContact CB-CE2 3.74Å; K36-Y38 VanDerWaalsContact O-CD2 3.25Å; K36-Y38 WeakPolarHBondContact O-CD2 3.43Å; K36-Y38 PolarHBondContact O-N 3.19Å
37P98.4Very high96Very high24 Ų2453.3 Ų53.316%0.15628%0.277CS..EExtended strand (participates in β ladder)trans-85.687.6178.634.6-34.7000111.5V10 Y11 G14 K15 I16 A39V10-P37 CarbonylContact C-O 3.59Å; V10-P37 VanDerWaalsContact C-O 3.23Å; V10-P37 WeakPolarHBondContact CA-O 3.47Å; Y11-P37 PolarHBondContact N-O 2.87Å; Y11-P37 VanDerWaalsContact O-CB 3.29Å; Y11-P37 WeakPolarHBondContact O-CB 3.27Å; Y11-P37 WeakPolarHBondContact O-CG 3.42Å; G14-P37 WeakPolarHBondContact O-CB 3.36Å; K15-P37 CarbonylContact O-C 3.5Å; K15-P37 WeakPolarHBondContact O-CA 3.4Å; I16-P37 HydrophobicContact CD1-CB 3.64Å; P37-A39 PolarHBondContact O-N 3.17Å
38Y98.7Very high95.9Very high7 Ų754.3 Ų54.33%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-73.1111.1178.3-68.8-92.1000110.1F8 V10 K15 S20 Y23 L26 L32 D33 K36 S92F8-Y38 HydrophobicContact CD2-CD1 4.09Å; F8-Y38 HydrophobicContact CD2-CE1 4.11Å; F8-Y38 HydrophobicContact CE2-CD1 4.28Å; F8-Y38 AromaticContact CE2-CE1 3.83Å; F8-Y38 HydrophobicContact CE2-CE1 3.83Å; V10-Y38 HydrophobicContact CG1-CD1 3.92Å; V10-Y38 HydrophobicContact CG1-CE1 3.96Å; V10-Y38 HydrophobicContact CG1-CG 4.35Å; K15-Y38 PolarHBondContact O-N 3.42Å; S20-Y38 VanDerWaalsContact OG-CB 3.3Å; S20-Y38 WeakPolarHBondContact OG-CB 3.41Å; S20-Y38 PolarHBondContact OG-O 3.15Å; Y23-Y38 AromaticContact CD2-CD2 3.67Å; Y23-Y38 HydrophobicContact CD2-CD2 3.67Å; Y23-Y38 AromaticContact CD2-CE2 3.47Å; Y23-Y38 HydrophobicContact CD2-CE2 3.47Å; Y23-Y38 VanDerWaalsContact CD2-CE2 3.47Å; Y23-Y38 HydrophobicContact CD2-CG 4.32Å; Y23-Y38 AromaticContact CD2-CZ 3.95Å; Y23-Y38 HydrophobicContact CE2-CE2 4.14Å; Y23-Y38 HydrophobicContact CG-CD2 4.31Å; L26-Y38 HydrophobicContact CD1-CD1 4.11Å; L26-Y38 HydrophobicContact CD1-CE1 4.44Å; L32-Y38 WeakPolarHBondContact CB-OH 3.25Å; L32-Y38 HydrophobicContact CD1-CE1 4.16Å; L32-Y38 HydrophobicContact CD2-CE1 3.81Å; L32-Y38 HydrophobicContact CG-CE1 4.39Å; D33-Y38 PolarHBondContact N-OH 2.96Å; D33-Y38 VanDerWaalsContact N-OH 3.08Å; D33-Y38 VanDerWaalsContact O-CE2 3.27Å; D33-Y38 WeakPolarHBondContact O-CE2 3.3Å; D33-Y38 PolarHBondContact O-OH 3.38Å; K36-Y38 HydrophobicContact CB-CD2 4.35Å; K36-Y38 HydrophobicContact CB-CE2 3.74Å; K36-Y38 VanDerWaalsContact O-CD2 3.25Å; K36-Y38 WeakPolarHBondContact O-CD2 3.43Å; K36-Y38 PolarHBondContact O-N 3.19Å; Y38-S92 WeakPolarHBondContact O-CB 3.43Å
39A98.7Very high96.3Very high0 Ų049.6 Ų49.60%026%0.263CS..  trans-104.9-47.2-166.700000112.3Q9 Y11 W13 P37 L91 S92Q9-A39 WeakPolarHBondContact O-CB 3.39Å; Q9-A39 PolarHBondContact O-N 3.49Å; Y11-A39 HydrophobicContact CD2-CB 4.16Å; Y11-A39 HydrophobicContact CG-CB 4.38Å; W13-A39 HydrophobicContact CD2-CB 4.19Å; W13-A39 HydrophobicContact CE3-CB 4.01Å; W13-A39 HydrophobicContact CH2-CB 3.64Å; W13-A39 HydrophobicContact CZ2-CB 3.81Å; W13-A39 HydrophobicContact CZ3-CB 3.71Å; P37-A39 PolarHBondContact O-N 3.17Å; A39-L91 CarbonylContact O-C 3.58Å; A39-L91 WeakPolarHBondContact O-CA 3.44Å; A39-S92 PolarHBondContact O-N 2.9Å
40E98.6Very high96.8Very high17 Ų1748.5 Ų48.58%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-141.4141.9-171.8-49.6-173.6147.400112.1F8 Q9 Y11 W13 W42 V90 L91F8-E40 CarbonylContact C-O 3.49Å; F8-E40 WeakPolarHBondContact CA-O 3.36Å; F8-E40 VanDerWaalsContact CB-O 3.27Å; F8-E40 WeakPolarHBondContact CB-O 3.37Å; Q9-E40 HydrophobicContact CB-CB 4.11Å; Q9-E40 HydrophobicContact CB-CG 4.45Å; Q9-E40 HydrophobicContact CG-CB 4.32Å; Q9-E40 PolarHBondContact N-O 3.25Å; Q9-E40 PolarHBondContact O-N 3.11Å; Y11-E40 HydrophobicContact CD2-CG 4.35Å; Y11-E40 HydrophobicContact CE2-CG 4.45Å; Y11-E40 WeakPolarHBondContact CE2-OE2 3.49Å; W13-E40 HydrophobicContact CH2-CG 3.43Å; W13-E40 VanDerWaalsContact CH2-CG 3.43Å; W13-E40 HydrophobicContact CZ2-CG 3.63Å; W13-E40 VanDerWaalsContact CZ2-OE1 3.28Å; W13-E40 WeakPolarHBondContact CZ2-OE1 3.45Å; E40-W42 VanDerWaalsContact CB-NE1 3.3Å; E40-W42 VanDerWaalsContact OE2-CZ2 3.24Å; E40-W42 WeakPolarHBondContact OE2-CZ2 3.2Å; E40-W42 PolarHBondContact OE2-NE1 3.48Å; E40-V90 CarbonylContact C-O 3.45Å; E40-V90 WeakPolarHBondContact CA-O 3.34Å; E40-L91 HydrophobicContact CB-CD2 4.1Å; E40-L91 HydrophobicContact CG-CD2 3.56Å
41L98.6Very high97.1Very high4 Ų445.6 Ų45.62%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-113.2125.3164.1177.666.8000108.4C6 F8 V22 L25 L26 M43 K89 V90 I392C6-L41 HydrophobicContact CB-CD1 3.81Å; C6-L41 HydrophobicContact CB-CG 4.5Å; F8-L41 HydrophobicContact CB-CD1 4.4Å; V22-L41 HydrophobicContact CG1-CB 4.15Å; V22-L41 HydrophobicContact CG2-CB 4.24Å; L25-L41 HydrophobicContact CB-CD2 4.37Å; L25-L41 HydrophobicContact CD1-CD2 4.18Å; L26-L41 HydrophobicContact CD2-CD1 3.8Å; L26-L41 HydrophobicContact CG-CD1 4.34Å; L41-M43 HydrophobicContact CG-CG 4.41Å; L41-K89 CarbonylContact O-C 3.56Å; L41-K89 WeakPolarHBondContact O-CA 3.46Å; L41-K89 VanDerWaalsContact O-CB 3.26Å; L41-K89 WeakPolarHBondContact O-CB 3.39Å; L41-V90 HydrophobicContact CB-CB 4.23Å; L41-V90 PolarHBondContact N-O 3.47Å; L41-V90 PolarHBondContact O-N 3.09Å; L41-I392 HydrophobicContact CD2-CD1 3.68Å
42W98.5Very high97.3Very high18 Ų1839.7 Ų39.77%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-111.9123.9-173.1-7031.2000111.2C6 A7 Q9 E40 H46 L87 K89C6-W42 VanDerWaalsContact CB-O 3.27Å; C6-W42 WeakPolarHBondContact CB-O 3.31Å; A7-W42 HydrophobicContact CB-CB 4.4Å; A7-W42 PolarHBondContact N-O 3.25Å; A7-W42 PolarHBondContact O-N 3.37Å; Q9-W42 HydrophobicContact CG-CZ2 4.38Å; E40-W42 VanDerWaalsContact CB-NE1 3.3Å; E40-W42 VanDerWaalsContact OE2-CZ2 3.24Å; E40-W42 WeakPolarHBondContact OE2-CZ2 3.2Å; E40-W42 PolarHBondContact OE2-NE1 3.48Å; W42-H46 HydrophobicContact CE3-CB 4.24Å; W42-H46 HydrophobicContact CZ3-CB 4.26Å; W42-H46 AromaticContact CZ3-CG 3.88Å; W42-H46 AromaticContact CZ3-ND1 3.48Å; W42-H46 WeakPolarHBondContact CZ3-ND1 3.43Å; W42-L87 HydrophobicContact CB-CD1 4.48Å; W42-L87 HydrophobicContact CD2-CD2 4.31Å; W42-L87 HydrophobicContact CE3-CD2 3.95Å; W42-L87 HydrophobicContact CZ3-CD2 4.15Å; W42-K89 HydrophobicContact CD2-CD 4.46Å; W42-K89 HydrophobicContact CG-CD 4.25Å; W42-K89 HydrophobicContact CG-CG 4.39Å
43M98.4Very high97.3Very high0 Ų038.8 Ų38.80%021%0.209CC..EExtended strand (participates in β ladder)trans-125105.8-175.9-52.1167.5-82.300109.1C6 L41 F88 V90 V390 I392 V444C6-M43 HydrophobicContact CB-CG 4.28Å; L41-M43 HydrophobicContact CG-CG 4.41Å; M43-F88 WeakPolarHBondContact CA-O 3.45Å; M43-F88 HydrophobicContact CB-CB 4.36Å; M43-F88 WeakPolarHBondContact CB-O 3.31Å; M43-F88 HydrophobicContact CE-CB 4.26Å; M43-F88 HydrophobicContact CE-CD1 3.48Å; M43-F88 VanDerWaalsContact CE-CD1 3.48Å; M43-F88 HydrophobicContact CE-CE1 3.98Å; M43-F88 HydrophobicContact CE-CG 3.84Å; M43-F88 PolarHBondContact N-O 3.13Å; M43-F88 PolarHBondContact O-N 2.91Å; M43-F88 HydrophobicContact SD-CD1 4.08Å; M43-V90 HydrophobicContact CE-CG2 4.22Å; M43-V390 HydrophobicContact CB-CG1 3.74Å; M43-I392 HydrophobicContact CE-CB 4.45Å; M43-I392 HydrophobicContact CE-CD1 4.04Å; M43-I392 HydrophobicContact CE-CG2 4.33Å; M43-I392 HydrophobicContact SD-CB 3.74Å; M43-I392 HydrophobicContact SD-CD1 3.56Å; M43-I392 VanDerWaalsContact SD-CD1 3.56Å; M43-I392 HydrophobicContact SD-CG1 4.13Å; M43-I392 HydrophobicContact SD-CG2 4.25Å; M43-V444 HydrophobicContact CB-CG1 4.21Å; M43-V444 HydrophobicContact CG-CG1 3.92Å; M43-V444 HydrophobicContact CG-CG2 4.16Å; M43-V444 HydrophobicContact SD-CB 4.48Å; M43-V444 HydrophobicContact SD-CG1 3.78Å; M43-V444 HydrophobicContact SD-CG2 3.78Å
44G97.4Very high97.1Very high0 Ų038.9 Ų38.90%021%0.208CC..SBendtrans155.5-157.1-17700000113.5S51G44-S51 PolarHBondContact N-OG 3.43Å; G44-S51 WeakPolarHBondContact O-CB 3.48Å; G44-S51 PolarHBondContact O-N 3.06Å; G44-S51 PolarHBondContact O-OG 3.5Å
45T97.4Very high96.8Very high18 Ų1841.4 Ų41.411%0.1122%0.222CC..  trans-106.79.8-173.555.60000113.7V47 L61 D62 I65 L84T45-V47 PolarHBondContact O-N 2.78Å; T45-L61 HydrophobicContact CG2-CB 4.31Å; T45-L61 HydrophobicContact CG2-CD2 4.17Å; T45-L61 HydrophobicContact CG2-CG 3.95Å; T45-D62 HydrophobicContact CG2-CB 3.96Å; T45-I65 HydrophobicContact CG2-CD1 3.77Å; T45-L84 HydrophobicContact CG2-CB 4.13Å
46H95.4Very high96.6Very high26 Ų2637.2 Ų37.212%0.1220%0.204CC..  trans-63.2130.4-174.8-166.6-79.7000112W42 S48 G49 P50 L87 D288W42-H46 HydrophobicContact CE3-CB 4.24Å; W42-H46 HydrophobicContact CZ3-CB 4.26Å; W42-H46 AromaticContact CZ3-CG 3.88Å; W42-H46 AromaticContact CZ3-ND1 3.48Å; W42-H46 WeakPolarHBondContact CZ3-ND1 3.43Å; H46-S48 VanDerWaalsContact C-N 3.26Å; H46-S48 PolarHBondContact CE1-OG 3.29Å; H46-S48 PolarHBondContact ND1-N 3.07Å; H46-S48 VanDerWaalsContact ND1-N 3.15Å; H46-S48 PolarHBondContact O-N 2.91Å; H46-S48 VanDerWaalsContact O-N 3.15Å; H46-G49 CarbonylContact O-C 3.41Å; H46-G49 PolarHBondContact O-N 3.18Å; H46-P50 WeakPolarHBondContact O-CA 3.26Å; H46-P50 WeakPolarHBondContact O-CD 3.46Å; H46-L87 HydrophobicContact CB-CD1 4.09Å; H46-L87 HydrophobicContact CB-CD2 4.04Å; H46-D288 IonicContact CE1-OD1 2.65Å; H46-D288 IonicContact CE1-OD2 2.77Å; H46-D288 IonicContact NE2-OD1 3.46Å; H46-D288 PolarHBondContact NE2-OD1 3.01Å; H46-D288 IonicContact NE2-OD2 2.78Å
47V94.1Very high96.2Very high129 Ų12936.3 Ų36.378%0.78221%0.208SC*.THydrogen-bonded Turntrans-59.4-31.9-172.6-63.30000114.1T45 G49T45-V47 PolarHBondContact O-N 2.78Å; V47-G49 VanDerWaalsContact C-N 3.34Å
48S93.6Very high96.1Very high66 Ų6640.5 Ų40.546%0.46224%0.238SC..THydrogen-bonded Turntrans-79.2-11.6176.9-51.50000114.7H46H46-S48 VanDerWaalsContact C-N 3.26Å; H46-S48 PolarHBondContact CE1-OG 3.29Å; H46-S48 PolarHBondContact ND1-N 3.07Å; H46-S48 VanDerWaalsContact ND1-N 3.15Å; H46-S48 PolarHBondContact O-N 2.91Å; H46-S48 VanDerWaalsContact O-N 3.15Å
49G95.7Very high96Very high2 Ų242.5 Ų42.52%0.02125%0.249CC..SBendtrans-158.462-179.500000111.4H46 V47H46-G49 CarbonylContact O-C 3.41Å; H46-G49 PolarHBondContact O-N 3.18Å; V47-G49 VanDerWaalsContact C-N 3.34Å
50P97.2Very high95.9Very high38 Ų3843.7 Ų43.725%0.24726%0.257CS..  trans-71.7143.5-174.228.7-33.8000110.9H46 F52H46-P50 WeakPolarHBondContact O-CA 3.26Å; H46-P50 WeakPolarHBondContact O-CD 3.46Å; P50-F52 HydrophobicContact CB-CE2 4.32Å; P50-F52 HydrophobicContact CG-CE2 3.83Å; P50-F52 HydrophobicContact CG-CZ 4.04Å; P50-F52 WeakPolarHBondContact O-CD2 3.06Å; P50-F52 WeakPolarHBondContact O-CE2 3.42Å
51S98.2Very high95.9Very high0 Ų043 Ų430%025%0.254CS..  trans-83.1149.4166.9-54.90000111.3K5 G44 S60 L61K5-S51 CarbonylContact O-C 3.53Å; K5-S51 WeakPolarHBondContact O-CA 3.33Å; G44-S51 PolarHBondContact N-OG 3.43Å; G44-S51 WeakPolarHBondContact O-CB 3.48Å; G44-S51 PolarHBondContact O-N 3.06Å; G44-S51 PolarHBondContact O-OG 3.5Å; S51-S60 WeakPolarHBondContact O-CA 3.36Å; S51-L61 PolarHBondContact O-N 2.78Å
52F98.1Very high95.9Very high72 Ų7246 Ų4632%0.31627%0.27SS..EExtended strand (participates in β ladder)trans-122.4157.4177.5-65.8-95.1000110.6L4 K5 P50 M54 P57 I59L4-F52 CarbonylContact C-O 3.55Å; L4-F52 VanDerWaalsContact CA-O 3.31Å; L4-F52 WeakPolarHBondContact CA-O 3.36Å; K5-F52 PolarHBondContact N-O 3.25Å; K5-F52 PolarHBondContact O-N 3.03Å; P50-F52 HydrophobicContact CB-CE2 4.32Å; P50-F52 HydrophobicContact CG-CE2 3.83Å; P50-F52 HydrophobicContact CG-CZ 4.04Å; P50-F52 WeakPolarHBondContact O-CD2 3.06Å; P50-F52 WeakPolarHBondContact O-CE2 3.42Å; F52-M54 PolarHBondContact O-N 3.37Å; F52-P57 WeakPolarHBondContact CD1-O 3.28Å; F52-I59 WeakPolarHBondContact CA-O 3.43Å
53M96Very high95.8Very high17 Ų1746.5 Ų46.58%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-67130.5170.2-65.1177.6168.900110.1D55 S56 P57 I59 Y64M53-D55 PolarHBondContact O-N 3.08Å; M53-S56 CarbonylContact O-C 3.55Å; M53-S56 PolarHBondContact O-N 3.33Å; M53-P57 WeakPolarHBondContact O-CA 3.4Å; M53-P57 VanDerWaalsContact O-N 3.14Å; M53-I59 HydrophobicContact CE-CG2 4.13Å; M53-I59 HydrophobicContact CG-CB 4.48Å; M53-I59 HydrophobicContact CG-CG2 4.49Å; M53-I59 PolarHBondContact N-O 2.96Å; M53-I59 HydrophobicContact SD-CB 3.97Å; M53-I59 HydrophobicContact SD-CD1 4.27Å; M53-I59 HydrophobicContact SD-CG2 3.82Å; M53-Y64 VanDerWaalsContact CE-CB 3.47Å; M53-Y64 HydrophobicContact CE-CD1 4Å; M53-Y64 HydrophobicContact CE-CD2 3.22Å; M53-Y64 HydrophobicContact CE-CE2 3.92Å; M53-Y64 HydrophobicContact CE-CG 3.26Å
54M93.1Very high95.8Very high70 Ų7047.8 Ų47.835%0.34528%0.283SS..THydrogen-bonded Turntrans-61.4-44.4-179.3-169.270.8178.700111.8R3 K5 F52 S56R3-M54 HydrophobicContact CB-CB 3.89Å; R3-M54 HydrophobicContact CG-CB 4Å; R3-M54 HydrophobicContact CG-CG 4.3Å; R3-M54 WeakPolarHBondContact O-CB 3.37Å; R3-M54 PolarHBondContact O-N 2.9Å; K5-M54 HydrophobicContact CB-SD 3.99Å; F52-M54 PolarHBondContact O-N 3.37Å; M54-S56 VanDerWaalsContact C-N 3.32Å; M54-S56 PolarHBondContact O-N 3.24Å
55D90.5Very high95.8Very high124 Ų12447.8 Ų47.866%0.66328%0.283SS*.THydrogen-bonded Turntrans-84.6-6.6-177.4-52.6-40.7000113.2M53M53-D55 PolarHBondContact O-N 3.08Å
56S93.2Very high95.7Very high52 Ų5249.7 Ų49.736%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-146.467.3178.8-70.40000109.9M53 M54 S58 I59M53-S56 CarbonylContact O-C 3.55Å; M53-S56 PolarHBondContact O-N 3.33Å; M54-S56 VanDerWaalsContact C-N 3.32Å; M54-S56 PolarHBondContact O-N 3.24Å; S56-S58 PolarHBondContact O-N 3.48Å; S56-I59 PolarHBondContact O-N 3.13Å
57P90.4Very high95.8Very high78 Ų7857.4 Ų57.451%0.50633%0.325SS..EExtended strand (participates in β ladder)trans-67.1-7.6-167.326.8-36.1000114.6F52 M53 I59F52-P57 WeakPolarHBondContact CD1-O 3.28Å; M53-P57 WeakPolarHBondContact O-CA 3.4Å; M53-P57 VanDerWaalsContact O-N 3.14Å; P57-I59 VanDerWaalsContact C-N 3.27Å
58S95.4Very high95.9Very high113 Ų11353.6 Ų53.679%0.7930%0.301SS*.EExtended strand (participates in β ladder)trans-77-12.2169.857.10000113.5S56S56-S58 PolarHBondContact O-N 3.48Å
59I97.1Very high96Very high49 Ų4952 Ų5225%0.25129%0.289SS..EExtended strand (participates in β ladder)trans-104.5112.9-179.3-56177.5000108.9F52 M53 S56 P57F52-I59 WeakPolarHBondContact CA-O 3.43Å; M53-I59 HydrophobicContact CE-CG2 4.13Å; M53-I59 HydrophobicContact CG-CB 4.48Å; M53-I59 HydrophobicContact CG-CG2 4.49Å; M53-I59 PolarHBondContact N-O 2.96Å; M53-I59 HydrophobicContact SD-CB 3.97Å; M53-I59 HydrophobicContact SD-CD1 4.27Å; M53-I59 HydrophobicContact SD-CG2 3.82Å; S56-I59 PolarHBondContact O-N 3.13Å; P57-I59 VanDerWaalsContact C-N 3.27Å
60S97.8Very high96Very high25 Ų2558.3 Ų58.318%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-70.9152.3169.268.10000110.6S51 D62 A63 Y64S51-S60 WeakPolarHBondContact O-CA 3.36Å; S60-D62 PolarHBondContact O-N 3.26Å; S60-A63 PolarHBondContact O-N 3.35Å; S60-A63 VanDerWaalsContact OG-CB 3.28Å; S60-A63 WeakPolarHBondContact OG-CB 3.36Å; S60-A63 PolarHBondContact OG-N 3.33Å; S60-A63 VanDerWaalsContact OG-N 3.1Å; S60-Y64 PolarHBondContact O-N 3.32Å
61L98Very high96Very high1 Ų156.5 Ų56.51%0.00531%0.306CS..Hα-helixtrans-58.5-38.7174.3178.458.6000111.3L4 T45 S51 Y64 I65 F446L4-L61 HydrophobicContact CD1-CD2 3.99Å; L4-L61 HydrophobicContact CD2-CD1 4.37Å; L4-L61 HydrophobicContact CD2-CD2 4.44Å; T45-L61 HydrophobicContact CG2-CB 4.31Å; T45-L61 HydrophobicContact CG2-CD2 4.17Å; T45-L61 HydrophobicContact CG2-CG 3.95Å; S51-L61 PolarHBondContact O-N 2.78Å; L61-Y64 HydrophobicContact CD1-CD1 4.35Å; L61-Y64 WeakPolarHBondContact O-CB 3.28Å; L61-Y64 PolarHBondContact O-N 3.14Å; L61-I65 HydrophobicContact CD1-CD1 3.97Å; L61-I65 HydrophobicContact CD1-CG1 4.23Å; L61-I65 HydrophobicContact CG-CD1 3.83Å; L61-I65 WeakPolarHBondContact O-CG1 3.24Å; L61-I65 PolarHBondContact O-N 3.38Å; L61-F446 HydrophobicContact CD1-CB 4.14Å; L61-F446 HydrophobicContact CD1-CD1 3.99Å; L61-F446 HydrophobicContact CD1-CD2 3.67Å; L61-F446 HydrophobicContact CD1-CE1 4.29Å; L61-F446 HydrophobicContact CD1-CE2 3.97Å; L61-F446 HydrophobicContact CD1-CG 3.65Å; L61-F446 HydrophobicContact CD1-CZ 4.27Å; L61-F446 HydrophobicContact CD2-CD2 3.92Å; L61-F446 HydrophobicContact CD2-CE2 4.36Å; L61-F446 HydrophobicContact CG-CD2 4.38Å
62D97.7Very high95.9Very high68 Ų6856.5 Ų56.536%0.36431%0.306SS..Hα-helixtrans-60-46175.8-177.673.1000112.4T45 S60 Y64 I65 S66T45-D62 HydrophobicContact CG2-CB 3.96Å; S60-D62 PolarHBondContact O-N 3.26Å; D62-Y64 VanDerWaalsContact C-N 3.31Å; D62-Y64 PolarHBondContact O-N 3.43Å; D62-I65 PolarHBondContact O-N 3.36Å; D62-S66 WeakPolarHBondContact O-CB 3.44Å; D62-S66 PolarHBondContact O-N 2.66Å; D62-S66 PolarHBondContact O-OG 3.14Å
63A97.1Very high95.8Very high28 Ų2853.4 Ų53.423%0.23129%0.294CS..Hα-helixtrans-65.2-36.1177.200000112S60 R67S60-A63 PolarHBondContact O-N 3.35Å; S60-A63 VanDerWaalsContact OG-CB 3.28Å; S60-A63 WeakPolarHBondContact OG-CB 3.36Å; S60-A63 PolarHBondContact OG-N 3.33Å; S60-A63 VanDerWaalsContact OG-N 3.1Å; A63-R67 WeakPolarHBondContact O-CG 3.33Å; A63-R67 PolarHBondContact O-N 3.44Å
64Y97.4Very high95.8Very high28 Ų2856.7 Ų56.711%0.1132%0.319CS..Hα-helixtrans-64.5-49.6174.5171.5-105.4000112.2F2 M53 S60 L61 D62 S66 R67 N68 C71 F446 N448F2-Y64 HydrophobicContact CD2-CE1 4.39Å; F2-Y64 AromaticContact CE2-CE1 3.85Å; F2-Y64 HydrophobicContact CE2-CE1 3.85Å; F2-Y64 HydrophobicContact CE2-CE2 4.1Å; F2-Y64 AromaticContact CE2-CZ 3.48Å; F2-Y64 VanDerWaalsContact CE2-CZ 3.48Å; F2-Y64 VanDerWaalsContact CE2-OH 3.3Å; F2-Y64 WeakPolarHBondContact CE2-OH 3.16Å; F2-Y64 HydrophobicContact CZ-CE2 4.18Å; F2-Y64 AromaticContact CZ-CZ 3.93Å; M53-Y64 VanDerWaalsContact CE-CB 3.47Å; M53-Y64 HydrophobicContact CE-CD1 4Å; M53-Y64 HydrophobicContact CE-CD2 3.22Å; M53-Y64 HydrophobicContact CE-CE2 3.92Å; M53-Y64 HydrophobicContact CE-CG 3.26Å; S60-Y64 PolarHBondContact O-N 3.32Å; L61-Y64 HydrophobicContact CD1-CD1 4.35Å; L61-Y64 WeakPolarHBondContact O-CB 3.28Å; L61-Y64 PolarHBondContact O-N 3.14Å; D62-Y64 VanDerWaalsContact C-N 3.31Å; D62-Y64 PolarHBondContact O-N 3.43Å; Y64-S66 VanDerWaalsContact C-N 3.34Å; Y64-S66 PolarHBondContact O-N 3.06Å; Y64-R67 PolarHBondContact O-N 3.42Å; Y64-N68 WeakPolarHBondContact CD2-ND2 3.25Å; Y64-N68 HydrophobicContact CE2-CB 4.23Å; Y64-N68 WeakPolarHBondContact CE2-ND2 3.05Å; Y64-N68 WeakPolarHBondContact O-CB 3.38Å; Y64-N68 PolarHBondContact O-N 3.39Å; Y64-N68 PolarHBondContact O-ND2 3.35Å; Y64-C71 HydrophobicContact CE1-CB 4.15Å; Y64-F446 HydrophobicContact CD1-CE1 4.41Å; Y64-F446 HydrophobicContact CE1-CD1 4.32Å; Y64-F446 AromaticContact CE1-CE1 4Å; Y64-F446 HydrophobicContact CE1-CE1 4Å; Y64-N448 PolarHBondContact OH-ND2 3.27Å; Y64-N448 VanDerWaalsContact OH-ND2 3.13Å
65I97.6Very high95.9Very high0 Ų055.4 Ų55.40%032%0.315CS..Hα-helixtrans-60.6-45.1178.5-72165.9000110.2T45 L61 D62 R67 N68 P69 L72 K82 L84 F446T45-I65 HydrophobicContact CG2-CD1 3.77Å; L61-I65 HydrophobicContact CD1-CD1 3.97Å; L61-I65 HydrophobicContact CD1-CG1 4.23Å; L61-I65 HydrophobicContact CG-CD1 3.83Å; L61-I65 WeakPolarHBondContact O-CG1 3.24Å; L61-I65 PolarHBondContact O-N 3.38Å; D62-I65 PolarHBondContact O-N 3.36Å; I65-R67 PolarHBondContact O-N 3.24Å; I65-N68 CarbonylContact O-C 3.48Å; I65-N68 PolarHBondContact O-N 2.84Å; I65-P69 WeakPolarHBondContact O-CA 3.3Å; I65-L72 HydrophobicContact CD1-CD2 4.1Å; I65-L72 HydrophobicContact CG1-CD2 4.28Å; I65-L72 HydrophobicContact CG2-CD1 3.62Å; I65-L72 HydrophobicContact CG2-CD2 3.98Å; I65-L72 HydrophobicContact CG2-CG 3.82Å; I65-K82 WeakPolarHBondContact CG2-O 3.43Å; I65-L84 HydrophobicContact CD1-CB 4.34Å; I65-F446 HydrophobicContact CD1-CE2 4.12Å; I65-F446 HydrophobicContact CD1-CZ 4.07Å; I65-F446 HydrophobicContact CG1-CZ 4.1Å
66S96.1Very high96.2Very high58 Ų5849.6 Ų49.641%0.40628%0.284SS..Hα-helixtrans-56.6-37.4178-70.10000112.9D62 Y64D62-S66 WeakPolarHBondContact O-CB 3.44Å; D62-S66 PolarHBondContact O-N 2.66Å; D62-S66 PolarHBondContact O-OG 3.14Å; Y64-S66 VanDerWaalsContact C-N 3.34Å; Y64-S66 PolarHBondContact O-N 3.06Å
67R96.6Very high96.3Very high187 Ų18748.8 Ų48.871%0.70628%0.278SS*.Hα-helixtrans-80.5-26.4176.5-69.3173.7-175.8176.42.6113.2A63 Y64 I65 P69A63-R67 WeakPolarHBondContact O-CG 3.33Å; A63-R67 PolarHBondContact O-N 3.44Å; Y64-R67 PolarHBondContact O-N 3.42Å; I65-R67 PolarHBondContact O-N 3.24Å; R67-P69 VanDerWaalsContact C-CD 3.49Å
68N97Very high96.5Very high50 Ų5052.6 Ų52.627%0.26729%0.289SS..  trans-130.457-173.4-58.4-82.1000111.7Y64 I65 H70 C71Y64-N68 WeakPolarHBondContact CD2-ND2 3.25Å; Y64-N68 HydrophobicContact CE2-CB 4.23Å; Y64-N68 WeakPolarHBondContact CE2-ND2 3.05Å; Y64-N68 WeakPolarHBondContact O-CB 3.38Å; Y64-N68 PolarHBondContact O-N 3.39Å; Y64-N68 PolarHBondContact O-ND2 3.35Å; I65-N68 CarbonylContact O-C 3.48Å; I65-N68 PolarHBondContact O-N 2.84Å; N68-H70 PolarHBondContact O-N 2.92Å; N68-C71 VanDerWaalsContact O-CB 3.29Å; N68-C71 WeakPolarHBondContact O-CB 3.29Å; N68-C71 PolarHBondContact O-N 3.13Å; N68-C71 PolarHBondContact O-SG 2.88Å
69P96.4Very high96.5Very high33 Ų3354.6 Ų54.621%0.21428%0.279CS..G310 helixtrans-59.7-26.9-170.223.1-34.8000113.5I65 R67 C71 L72 C77 K82I65-P69 WeakPolarHBondContact O-CA 3.3Å; R67-P69 VanDerWaalsContact C-CD 3.49Å; P69-C71 PolarHBondContact O-N 3Å; P69-L72 WeakPolarHBondContact O-CB 3.41Å; P69-L72 PolarHBondContact O-N 2.77Å; P69-C77 PolarHBondContact O-SG 3.44Å; P69-K82 HydrophobicContact CB-CB 4.27Å; P69-K82 HydrophobicContact CB-CD 4.05Å; P69-K82 HydrophobicContact CB-CG 3.82Å; P69-K82 HydrophobicContact CG-CD 4.2Å; P69-K82 HydrophobicContact CG-CG 4.48Å
70H94.9Very high96.4Very high133 Ų13354.8 Ų54.862%0.61628%0.278SS*.G310 helixtrans-56.8-21.8173.668.4-88.5000113.6N68 L72 G73N68-H70 PolarHBondContact O-N 2.92Å; H70-L72 PolarHBondContact O-N 3.06Å; H70-G73 PolarHBondContact O-N 3.28Å; H70-G73 VanDerWaalsContact O-N 3.17Å
71C96.7Very high96.3Very high1 Ų155 Ų551%0.00729%0.285CS..G310 helixtrans-63.7-23.6176.177.40000112.6Y64 N68 P69 A388 F446 N448 A449Y64-C71 HydrophobicContact CE1-CB 4.15Å; N68-C71 VanDerWaalsContact O-CB 3.29Å; N68-C71 WeakPolarHBondContact O-CB 3.29Å; N68-C71 PolarHBondContact O-N 3.13Å; N68-C71 PolarHBondContact O-SG 2.88Å; P69-C71 PolarHBondContact O-N 3Å; C71-A388 WeakPolarHBondContact O-CB 3.43Å; C71-F446 HydrophobicContact CB-CE1 4.38Å; C71-N448 HydrophobicContact CB-CB 4.12Å; C71-N448 WeakPolarHBondContact O-CA 3.23Å; C71-A449 WeakPolarHBondContact O-CB 3.45Å; C71-A449 PolarHBondContact O-N 3.15Å
72L97.4Very high96.2Very high0 Ų061.4 Ų61.40%031%0.312CS..G310 helixtrans-74.6-26.4176.6-64.9177000113I65 P69 H70 V76 L84 S387 A388I65-L72 HydrophobicContact CD1-CD2 4.1Å; I65-L72 HydrophobicContact CG1-CD2 4.28Å; I65-L72 HydrophobicContact CG2-CD1 3.62Å; I65-L72 HydrophobicContact CG2-CD2 3.98Å; I65-L72 HydrophobicContact CG2-CG 3.82Å; P69-L72 WeakPolarHBondContact O-CB 3.41Å; P69-L72 PolarHBondContact O-N 2.77Å; H70-L72 PolarHBondContact O-N 3.06Å; L72-V76 HydrophobicContact CB-CB 4.21Å; L72-V76 HydrophobicContact CB-CG1 4.09Å; L72-V76 VanDerWaalsContact O-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.35Å; L72-L84 HydrophobicContact CD2-CD1 4.09Å; L72-S387 CarbonylContact O-C 3.53Å; L72-S387 WeakPolarHBondContact O-CA 3.4Å; L72-A388 HydrophobicContact CD2-CB 3.98Å; L72-A388 PolarHBondContact O-N 3.05Å
73G95.9Very high96.1Very high7 Ų760.1 Ų60.17%0.07231%0.312CS..  trans95.2147.4-168.700000112.6H70 T75 V76 C77 K386 A449H70-G73 PolarHBondContact O-N 3.28Å; H70-G73 VanDerWaalsContact O-N 3.17Å; G73-T75 PolarHBondContact O-N 2.85Å; G73-V76 PolarHBondContact O-N 3.04Å; G73-C77 PolarHBondContact O-N 3.04Å; G73-K386 WeakPolarHBondContact CA-O 3.24Å; G73-A449 VanDerWaalsContact CA-CB 3.49Å
74S95.2Very high96.1Very high86 Ų8659 Ų5960%0.60130%0.302SS*.Hα-helixtrans-60.1-49.7-173.450.70000112.7V76 C77 E78S74-V76 VanDerWaalsContact C-N 3.27Å; S74-V76 PolarHBondContact O-N 3.45Å; S74-C77 WeakPolarHBondContact O-CB 3.5Å; S74-C77 PolarHBondContact O-N 3.41Å; S74-C77 VanDerWaalsContact O-N 3.09Å; S74-E78 WeakPolarHBondContact O-CG 3.36Å; S74-E78 PolarHBondContact O-N 3.45Å
75T95Very high96.1Very high43 Ų4358.1 Ų58.126%0.26430%0.299SS..Hα-helixtrans-61.3-37.2-179.5-45.30000111.9G73 E78 R79 V474G73-T75 PolarHBondContact O-N 2.85Å; T75-E78 PolarHBondContact O-N 3.33Å; T75-R79 WeakPolarHBondContact O-CB 3.26Å; T75-R79 PolarHBondContact O-N 2.9Å; T75-V474 HydrophobicContact CG2-CB 3.75Å; T75-V474 HydrophobicContact CG2-CG2 3.64Å
76V96.7Very high96.1Very high1 Ų158.1 Ų58.11%0.00630%0.299CS..Hα-helixtrans-66.8-44.1175.9-176.50000110.3L72 G73 S74 E78 R79 F80 P85 A472 V474L72-V76 HydrophobicContact CB-CB 4.21Å; L72-V76 HydrophobicContact CB-CG1 4.09Å; L72-V76 VanDerWaalsContact O-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.35Å; G73-V76 PolarHBondContact O-N 3.04Å; S74-V76 VanDerWaalsContact C-N 3.27Å; S74-V76 PolarHBondContact O-N 3.45Å; V76-E78 PolarHBondContact O-N 3.15Å; V76-R79 PolarHBondContact O-N 3.49Å; V76-F80 HydrophobicContact CG1-CD2 4.28Å; V76-F80 PolarHBondContact O-N 3Å; V76-P85 HydrophobicContact CG1-CG 4.38Å; V76-A472 HydrophobicContact CG1-CB 4.16Å; V76-A472 HydrophobicContact CG2-CB 3.79Å; V76-V474 HydrophobicContact CG2-CG2 3.88Å
77C96.3Very high96.2Very high35 Ų3555.7 Ų55.724%0.23628%0.282CS..Hα-helixtrans-62.6-39.4176-760000113.5P69 G73 S74 G81P69-C77 PolarHBondContact O-SG 3.44Å; G73-C77 PolarHBondContact O-N 3.04Å; S74-C77 WeakPolarHBondContact O-CB 3.5Å; S74-C77 PolarHBondContact O-N 3.41Å; S74-C77 VanDerWaalsContact O-N 3.09Å; C77-G81 WeakPolarHBondContact CA-O 3.43Å; C77-G81 WeakPolarHBondContact O-CA 3.4Å; C77-G81 PolarHBondContact O-N 2.97Å
78E95.4Very high96.3Very high159 Ų15946.8 Ų46.874%0.74325%0.248SC*.Hα-helixtrans-65.3-40176.2-73.2168.5-162.900111.6S74 T75 V76S74-E78 WeakPolarHBondContact O-CG 3.36Å; S74-E78 PolarHBondContact O-N 3.45Å; T75-E78 PolarHBondContact O-N 3.33Å; V76-E78 PolarHBondContact O-N 3.15Å
79R95Very high96.4Very high154 Ų15445 Ų4558%0.58124%0.238SC*.Hα-helixtrans-80.9-42-176.3-175.556.9168164.3-4114T75 V76 D364 V474T75-R79 WeakPolarHBondContact O-CB 3.26Å; T75-R79 PolarHBondContact O-N 2.9Å; V76-R79 PolarHBondContact O-N 3.49Å; R79-D364 IonicContact CZ-OD2 3.67Å; R79-D364 IonicContact NE-OD2 2.65Å; R79-D364 PolarHBondContact NE-OD2 2.83Å; R79-D364 IonicContact NH2-OD2 3.14Å; R79-D364 PolarHBondContact NH2-OD2 2.81Å; R79-V474 HydrophobicContact CB-CG1 4.07Å; R79-V474 HydrophobicContact CG-CG1 3.96Å
80F95.2Very high96.5Very high53 Ų5343.4 Ų43.423%0.23223%0.227CC..Hα-helixtrans-122.6-1.2-168.3-63.2-74.9000114V76 P85 D364 D365 V474V76-F80 HydrophobicContact CG1-CD2 4.28Å; V76-F80 PolarHBondContact O-N 3Å; F80-P85 HydrophobicContact CB-CB 4.06Å; F80-P85 HydrophobicContact CD1-CB 3.55Å; F80-P85 HydrophobicContact CD2-CB 3.7Å; F80-P85 HydrophobicContact CD2-CG 3.75Å; F80-P85 HydrophobicContact CE1-CB 3.77Å; F80-P85 HydrophobicContact CE2-CB 3.9Å; F80-P85 HydrophobicContact CE2-CG 3.98Å; F80-P85 HydrophobicContact CG-CB 3.51Å; F80-P85 HydrophobicContact CG-CG 4.03Å; F80-P85 HydrophobicContact CZ-CB 3.94Å; F80-P85 HydrophobicContact CZ-CG 4.45Å; F80-D364 HydrophobicContact CE2-CB 4.07Å; F80-D364 HydrophobicContact CZ-CB 3.67Å; F80-D365 HydrophobicContact CZ-CB 4.43Å; F80-V474 HydrophobicContact CD2-CG1 4.46Å; F80-V474 HydrophobicContact CE2-CG1 3.81Å
81G95.4Very high96.7Very high31 Ų3137 Ų3732%0.3220%0.198SC..  trans72.7-148.5-175.800000112.6C77 A83C77-G81 WeakPolarHBondContact CA-O 3.43Å; C77-G81 WeakPolarHBondContact O-CA 3.4Å; C77-G81 PolarHBondContact O-N 2.97Å; G81-A83 VanDerWaalsContact C-N 3.26Å; G81-A83 PolarHBondContact O-N 3Å
82K95.7Very high96.8Very high134 Ų13437 Ų3758%0.58320%0.198SC*.SBendtrans-91.536.5-172.8-55.7-175.6-178.4177.80112.9I65 P69I65-K82 WeakPolarHBondContact CG2-O 3.43Å; P69-K82 HydrophobicContact CB-CB 4.27Å; P69-K82 HydrophobicContact CB-CD 4.05Å; P69-K82 HydrophobicContact CB-CG 3.82Å; P69-K82 HydrophobicContact CG-CD 4.2Å; P69-K82 HydrophobicContact CG-CG 4.48Å
83A94.8Very high96.9Very high42 Ų4237 Ų3735%0.34720%0.198SC..SBendtrans-132149-175.500000111.3G81 P85G81-A83 VanDerWaalsContact C-N 3.26Å; G81-A83 PolarHBondContact O-N 3Å; A83-P85 WeakPolarHBondContact O-CD 3.45Å
84L97.2Very high97Very high4 Ų441 Ų412%0.02121%0.211CC..  trans-71.7120.2169.1-165.569.8000108.6T45 I65 L72 F86 S286 V390 F446T45-L84 HydrophobicContact CG2-CB 4.13Å; I65-L84 HydrophobicContact CD1-CB 4.34Å; L72-L84 HydrophobicContact CD2-CD1 4.09Å; L84-F86 HydrophobicContact CD1-CD1 4.36Å; L84-F86 HydrophobicContact CD1-CE1 3.65Å; L84-F86 HydrophobicContact CD1-CE2 4.43Å; L84-F86 HydrophobicContact CD1-CZ 3.7Å; L84-F86 HydrophobicContact CD2-CD2 4.37Å; L84-F86 HydrophobicContact CD2-CE2 3.94Å; L84-F86 HydrophobicContact CD2-CZ 4.03Å; L84-F86 HydrophobicContact CG-CD1 4.27Å; L84-F86 HydrophobicContact CG-CE1 3.97Å; L84-F86 HydrophobicContact CG-CE2 4.24Å; L84-F86 HydrophobicContact CG-CZ 3.97Å; L84-F86 PolarHBondContact O-N 3.32Å; L84-S286 PolarHBondContact O-OG 2.93Å; L84-S286 VanDerWaalsContact O-OG 3.12Å; L84-V390 HydrophobicContact CD2-CG2 4.02Å; L84-F446 HydrophobicContact CD1-CE2 4.42Å
85P97.2Very high97.1Very high9 Ų938.9 Ų38.96%0.05819%0.191CC..  trans-78.5-3.1-170.229.1-33.1000114.4V76 F80 A83 S286 D365 A472V76-P85 HydrophobicContact CG1-CG 4.38Å; F80-P85 HydrophobicContact CB-CB 4.06Å; F80-P85 HydrophobicContact CD1-CB 3.55Å; F80-P85 HydrophobicContact CD2-CB 3.7Å; F80-P85 HydrophobicContact CD2-CG 3.75Å; F80-P85 HydrophobicContact CE1-CB 3.77Å; F80-P85 HydrophobicContact CE2-CB 3.9Å; F80-P85 HydrophobicContact CE2-CG 3.98Å; F80-P85 HydrophobicContact CG-CB 3.51Å; F80-P85 HydrophobicContact CG-CG 4.03Å; F80-P85 HydrophobicContact CZ-CB 3.94Å; F80-P85 HydrophobicContact CZ-CG 4.45Å; A83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-S286 PolarHBondContact O-N 3.18Å; P85-S286 PolarHBondContact O-OG 3.41Å; P85-D365 WeakPolarHBondContact CG-O 3.47Å; P85-A472 HydrophobicContact CG-CB 3.75Å
86F98.4Very high97.3Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-132.5157.6-177.463.2-96000112.8L84 F88 M284 S286 D365 F366 V390 A470L84-F86 HydrophobicContact CD1-CD1 4.36Å; L84-F86 HydrophobicContact CD1-CE1 3.65Å; L84-F86 HydrophobicContact CD1-CE2 4.43Å; L84-F86 HydrophobicContact CD1-CZ 3.7Å; L84-F86 HydrophobicContact CD2-CD2 4.37Å; L84-F86 HydrophobicContact CD2-CE2 3.94Å; L84-F86 HydrophobicContact CD2-CZ 4.03Å; L84-F86 HydrophobicContact CG-CD1 4.27Å; L84-F86 HydrophobicContact CG-CE1 3.97Å; L84-F86 HydrophobicContact CG-CE2 4.24Å; L84-F86 HydrophobicContact CG-CZ 3.97Å; L84-F86 PolarHBondContact O-N 3.32Å; F86-F88 HydrophobicContact CD2-CB 4.28Å; F86-F88 HydrophobicContact CE2-CB 4.32Å; F86-M284 CarbonylContact C-O 3.58Å; F86-M284 WeakPolarHBondContact CA-O 3.46Å; F86-M284 WeakPolarHBondContact CB-O 3.25Å; F86-S286 VanDerWaalsContact C-OG 3.3Å; F86-S286 WeakPolarHBondContact CA-OG 3.37Å; F86-S286 PolarHBondContact N-OG 3.42Å; F86-S286 PolarHBondContact O-OG 2.8Å; F86-D365 WeakPolarHBondContact CD1-O 3.35Å; F86-F366 HydrophobicContact CB-CB 3.8Å; F86-F366 HydrophobicContact CD1-CB 4.28Å; F86-F366 HydrophobicContact CG-CB 4.14Å; F86-V390 HydrophobicContact CE2-CB 4.26Å; F86-V390 HydrophobicContact CE2-CG2 3.94Å; F86-V390 HydrophobicContact CZ-CG2 4.15Å; F86-A470 HydrophobicContact CD2-CB 3.96Å; F86-A470 HydrophobicContact CE2-CB 3.56Å; F86-A470 HydrophobicContact CZ-CB 4.08Å; F86-A470 VanDerWaalsContact CZ-O 3.31Å; F86-A470 WeakPolarHBondContact CZ-O 3.41Å
87L98.3Very high97.4Very high7 Ų738 Ų384%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-111.5131.9164.3177.858.4000108.6W42 H46 K89 M284W42-L87 HydrophobicContact CB-CD1 4.48Å; W42-L87 HydrophobicContact CD2-CD2 4.31Å; W42-L87 HydrophobicContact CE3-CD2 3.95Å; W42-L87 HydrophobicContact CZ3-CD2 4.15Å; H46-L87 HydrophobicContact CB-CD1 4.09Å; H46-L87 HydrophobicContact CB-CD2 4.04Å; L87-K89 HydrophobicContact CD2-CD 4.42Å; L87-K89 HydrophobicContact CD2-CG 4.48Å; L87-K89 HydrophobicContact CG-CG 4.09Å; L87-M284 HydrophobicContact CB-CG 3.98Å; L87-M284 HydrophobicContact CB-SD 4.34Å; L87-M284 HydrophobicContact CD2-SD 4.23Å; L87-M284 HydrophobicContact CG-SD 4.5Å; L87-M284 PolarHBondContact N-O 3.5Å; L87-M284 PolarHBondContact O-N 3.48Å; L87-M284 VanDerWaalsContact O-N 3.1Å
88F98.7Very high97.5Very high0 Ų036.9 Ų36.90%018%0.177CC..EExtended strand (participates in β ladder)trans-113.1135.7179.7-166.8-142.6000110.2M43 F86 V281 E282 C283 V368 V390 I392 F468 A470M43-F88 WeakPolarHBondContact CA-O 3.45Å; M43-F88 HydrophobicContact CB-CB 4.36Å; M43-F88 WeakPolarHBondContact CB-O 3.31Å; M43-F88 HydrophobicContact CE-CB 4.26Å; M43-F88 HydrophobicContact CE-CD1 3.48Å; M43-F88 VanDerWaalsContact CE-CD1 3.48Å; M43-F88 HydrophobicContact CE-CE1 3.98Å; M43-F88 HydrophobicContact CE-CG 3.84Å; M43-F88 PolarHBondContact N-O 3.13Å; M43-F88 PolarHBondContact O-N 2.91Å; M43-F88 HydrophobicContact SD-CD1 4.08Å; F86-F88 HydrophobicContact CD2-CB 4.28Å; F86-F88 HydrophobicContact CE2-CB 4.32Å; F88-V281 HydrophobicContact CD2-CG1 4.08Å; F88-V281 HydrophobicContact CE2-CG1 3.08Å; F88-V281 HydrophobicContact CZ-CG1 3.4Å; F88-V281 VanDerWaalsContact CZ-CG1 3.4Å; F88-E282 VanDerWaalsContact CD2-O 3.27Å; F88-E282 WeakPolarHBondContact CD2-O 3.4Å; F88-C283 HydrophobicContact CD2-CB 3.8Å; F88-C283 HydrophobicContact CE2-CB 4.18Å; F88-V368 HydrophobicContact CE2-CG1 4.13Å; F88-V368 HydrophobicContact CE2-CG2 4.44Å; F88-V368 HydrophobicContact CZ-CG1 4.29Å; F88-V390 HydrophobicContact CD1-CB 4.32Å; F88-V390 HydrophobicContact CD1-CG1 4Å; F88-I392 HydrophobicContact CE1-CG2 3.73Å; F88-I392 HydrophobicContact CZ-CG2 4.25Å; F88-F468 HydrophobicContact CE1-CB 4.41Å; F88-F468 HydrophobicContact CZ-CB 3.78Å; F88-A470 HydrophobicContact CB-CB 4.1Å; F88-A470 HydrophobicContact CD1-CB 3.9Å; F88-A470 HydrophobicContact CD2-CB 3.65Å; F88-A470 HydrophobicContact CE1-CB 4.15Å; F88-A470 HydrophobicContact CE2-CB 3.89Å; F88-A470 HydrophobicContact CG-CB 3.65Å; F88-A470 HydrophobicContact CZ-CB 4.15Å
89K98.8Very high97.6Very high12 Ų1229.4 Ų29.45%0.05214%0.142CC..EExtended strand (participates in β ladder)trans-141.5160.9-175.4-51.9-172.4-158.7140.30113.6L41 W42 L87 L91 V281 E282 M284L41-K89 CarbonylContact O-C 3.56Å; L41-K89 WeakPolarHBondContact O-CA 3.46Å; L41-K89 VanDerWaalsContact O-CB 3.26Å; L41-K89 WeakPolarHBondContact O-CB 3.39Å; W42-K89 HydrophobicContact CD2-CD 4.46Å; W42-K89 HydrophobicContact CG-CD 4.25Å; W42-K89 HydrophobicContact CG-CG 4.39Å; L87-K89 HydrophobicContact CD2-CD 4.42Å; L87-K89 HydrophobicContact CD2-CG 4.48Å; L87-K89 HydrophobicContact CG-CG 4.09Å; K89-L91 HydrophobicContact CB-CD2 4.4Å; K89-L91 HydrophobicContact CD-CD2 4.21Å; K89-V281 WeakPolarHBondContact O-CA 3.1Å; K89-E282 HydrophobicContact CB-CB 4.32Å; K89-E282 VanDerWaalsContact CD-OE2 3.29Å; K89-E282 WeakPolarHBondContact CD-OE2 3.5Å; K89-E282 WeakPolarHBondContact CE-OE2 3.49Å; K89-E282 PolarHBondContact N-O 2.78Å; K89-E282 IonicContact NZ-OE2 2.89Å; K89-E282 PolarHBondContact NZ-OE2 3.29Å; K89-E282 PolarHBondContact O-N 2.78Å; K89-M284 PolarHBondContact NZ-SD 3.03Å
90V98.9Very high97.8Very high0 Ų022.9 Ų22.90%012%0.118CC..EExtended strand (participates in β ladder)trans-112.3131.5156.3179.30000107.7E21 V22 L25 E40 L41 M43 L132 C280 V281 I392 I394E21-V90 HydrophobicContact CB-CG1 4.5Å; E21-V90 HydrophobicContact CG-CG1 4.49Å; V22-V90 HydrophobicContact CG2-CB 4.32Å; V22-V90 HydrophobicContact CG2-CG1 4.07Å; V22-V90 WeakPolarHBondContact CG2-O 3.29Å; L25-V90 HydrophobicContact CD1-CB 4.03Å; L25-V90 HydrophobicContact CD1-CG1 3.81Å; L25-V90 HydrophobicContact CD1-CG2 3.84Å; E40-V90 CarbonylContact C-O 3.45Å; E40-V90 WeakPolarHBondContact CA-O 3.34Å; L41-V90 HydrophobicContact CB-CB 4.23Å; L41-V90 PolarHBondContact N-O 3.47Å; L41-V90 PolarHBondContact O-N 3.09Å; M43-V90 HydrophobicContact CE-CG2 4.22Å; V90-L132 HydrophobicContact CG1-CD1 3.91Å; V90-C280 CarbonylContact C-O 3.58Å; V90-C280 WeakPolarHBondContact CA-O 3.48Å; V90-V281 HydrophobicContact CG2-CG2 4.39Å; V90-I392 HydrophobicContact CG2-CD1 3.75Å; V90-I394 HydrophobicContact CG2-CD1 4.04Å
91L98.9Very high97.9Very high0 Ų020.4 Ų20.40%011%0.107CC..EExtended strand (participates in β ladder)trans-111.9142.6176.9-55.3178000110.2W13 A39 E40 K89 V93 Y275 D279 C280 E282W13-L91 HydrophobicContact CH2-CD2 4.29Å; A39-L91 CarbonylContact O-C 3.58Å; A39-L91 WeakPolarHBondContact O-CA 3.44Å; E40-L91 HydrophobicContact CB-CD2 4.1Å; E40-L91 HydrophobicContact CG-CD2 3.56Å; K89-L91 HydrophobicContact CB-CD2 4.4Å; K89-L91 HydrophobicContact CD-CD2 4.21Å; L91-V93 HydrophobicContact CB-CG2 4.3Å; L91-Y275 HydrophobicContact CD1-CD2 3.95Å; L91-Y275 HydrophobicContact CD1-CE2 3.86Å; L91-D279 CarbonylContact O-C 3.19Å; L91-D279 WeakPolarHBondContact O-CA 3.17Å; L91-C280 PolarHBondContact N-O 2.84Å; L91-C280 PolarHBondContact O-N 2.82Å; L91-E282 HydrophobicContact CD1-CB 3.89Å; L91-E282 HydrophobicContact CD1-CG 4.33Å; L91-E282 WeakPolarHBondContact CD1-OE1 3.12Å; L91-E282 HydrophobicContact CG-CB 4.09Å
92S98.9Very high98Very high0 Ų019 Ų190%09%0.092CC..EExtended strand (participates in β ladder)trans-127.888.9175.3-75.90000110.4G14 K15 S20 E21 V22 Y38 A39 D279G14-S92 CarbonylContact C-O 3.5Å; G14-S92 VanDerWaalsContact CA-O 3.28Å; G14-S92 WeakPolarHBondContact CA-O 3.32Å; K15-S92 PolarHBondContact N-O 3.43Å; S20-S92 WeakPolarHBondContact OG-CB 3.38Å; S20-S92 PolarHBondContact OG-OG 2.83Å; S20-S92 VanDerWaalsContact OG-OG 3.13Å; E21-S92 PolarHBondContact N-OG 2.86Å; V22-S92 PolarHBondContact N-OG 3.42Å; V22-S92 VanDerWaalsContact N-OG 3.11Å; Y38-S92 WeakPolarHBondContact O-CB 3.43Å; A39-S92 PolarHBondContact O-N 2.9Å; S92-D279 WeakPolarHBondContact CA-OD1 3.37Å; S92-D279 WeakPolarHBondContact CB-OD1 3.28Å; S92-D279 PolarHBondContact OG-OD1 3.42Å
93V98.8Very high98Very high0 Ų012.6 Ų12.60%07%0.065CC..EExtended strand (participates in β ladder)trans-89.7120.6-169.9-172.40000110.8W13 K15 L91 K95 L97 F135 S277 G278W13-V93 HydrophobicContact CZ3-CG2 4.01Å; K15-V93 WeakPolarHBondContact CE-O 3.04Å; L91-V93 HydrophobicContact CB-CG2 4.3Å; V93-K95 WeakPolarHBondContact CG1-O 3.43Å; V93-L97 HydrophobicContact CB-CD1 4.39Å; V93-L97 HydrophobicContact CG1-CD1 3.61Å; V93-L97 HydrophobicContact CG2-CD1 3.91Å; V93-F135 HydrophobicContact CG2-CE2 4.07Å; V93-F135 HydrophobicContact CG2-CZ 4.34Å; V93-S277 WeakPolarHBondContact O-CA 3.28Å; V93-G278 WeakPolarHBondContact CA-O 3.21Å; V93-G278 WeakPolarHBondContact CB-O 3.37Å; V93-G278 PolarHBondContact N-O 3.26Å; V93-G278 PolarHBondContact O-N 2.77Å
94R98.6Very high98.1Very high90 Ų9013.2 Ų13.234%0.346%0.062SC..SBendtrans-106.3-47.7172.2177-177.860.7154.70.6111.9D12 W13 G14 K15 I16D12-R94 PolarHBondContact O-NH2 2.98Å; D12-R94 IonicContact OD1-NH2 3.12Å; W13-R94 WeakPolarHBondContact O-CA 3.46Å; W13-R94 WeakPolarHBondContact O-CB 3.3Å; W13-R94 PolarHBondContact O-N 3.3Å; G14-R94 WeakPolarHBondContact O-CB 3.31Å; G14-R94 PolarHBondContact O-NE 3.35Å; K15-R94 HydrophobicContact CB-CB 4.41Å; K15-R94 HydrophobicContact CG-CB 3.86Å; I16-R94 VanDerWaalsContact CD1-NH1 3.29Å
95K98.3Very high98Very high43 Ų4318.5 Ų18.519%0.1879%0.085CC..SBendtrans-105.2153.6173.6-56-176.6177.3172.80109.1D12 W13 V93 L97 D241 L276D12-K95 IonicContact OD1-NZ 2.76Å; D12-K95 IonicContact OD2-NZ 3.54Å; D12-K95 PolarHBondContact OD2-NZ 3.29Å; W13-K95 HydrophobicContact CB-CB 4Å; W13-K95 PolarHBondContact O-N 3.25Å; V93-K95 WeakPolarHBondContact CG1-O 3.43Å; K95-L97 PolarHBondContact O-N 3.27Å; K95-D241 HydrophobicContact CD-CB 4.35Å; K95-L276 CarbonylContact C-O 3.48Å
96A98.5Very high98Very high2 Ų224.3 Ų24.32%0.01711%0.111CC..PPolyproline II helixtrans-58.8137.517900000112.2L238 Y242 Y275 L276 L295A96-L238 HydrophobicContact CB-CD2 3.51Å; A96-Y242 HydrophobicContact CB-CE2 4.13Å; A96-Y242 PolarHBondContact O-OH 2.99Å; A96-Y275 CarbonylContact C-O 3.59Å; A96-Y275 WeakPolarHBondContact CA-O 3.33Å; A96-L276 HydrophobicContact CB-CD2 3.66Å; A96-L295 HydrophobicContact CB-CD1 3.9Å
97L98.3Very high97.9Very high23 Ų2326 Ų2612%0.1212%0.118CC..PPolyproline II helixtrans-73.5164.2165.8-83.669.3000109.6W13 V93 K95 I99 Y275W13-L97 HydrophobicContact CD2-CD1 3.76Å; W13-L97 HydrophobicContact CD2-CG 4.3Å; W13-L97 HydrophobicContact CE3-CD1 3.58Å; W13-L97 HydrophobicContact CG-CD1 4.3Å; W13-L97 HydrophobicContact CH2-CD1 4.22Å; W13-L97 HydrophobicContact CH2-CD2 4.42Å; W13-L97 HydrophobicContact CZ2-CD1 4.4Å; W13-L97 HydrophobicContact CZ2-CD2 4.31Å; W13-L97 HydrophobicContact CZ2-CG 4.49Å; W13-L97 HydrophobicContact CZ3-CD1 3.85Å; V93-L97 HydrophobicContact CB-CD1 4.39Å; V93-L97 HydrophobicContact CG1-CD1 3.61Å; V93-L97 HydrophobicContact CG2-CD1 3.91Å; K95-L97 PolarHBondContact O-N 3.27Å; L97-I99 PolarHBondContact O-N 2.92Å; L97-Y275 HydrophobicContact CD2-CD2 4.32Å; L97-Y275 PolarHBondContact N-O 2.8Å
98S98Very high97.9Very high12 Ų1225.6 Ų25.68%0.08412%0.116CC..PPolyproline II helixtrans-57.1139.4178.355.80000111.5Q100 R292 G294 L295S98-Q100 PolarHBondContact O-N 3.18Å; S98-Q100 PolarHBondContact OG-OE1 3.24Å; S98-R292 WeakPolarHBondContact OG-CD 3.33Å; S98-R292 PolarHBondContact OG-NE 2.83Å; S98-G294 CarbonylContact C-O 3.52Å; S98-G294 VanDerWaalsContact CA-O 3.31Å; S98-G294 WeakPolarHBondContact CA-O 3.34Å; S98-L295 WeakPolarHBondContact CA-O 3.21Å
99I98.4Very high97.8Very high1 Ų127.6 Ų27.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-61125.2162.5-63.8167.4000107.8L97 M138 S250 F254 H273 A274 R292 A293 G294 L295L97-I99 PolarHBondContact O-N 2.92Å; I99-M138 HydrophobicContact CD1-CE 4.01Å; I99-M138 HydrophobicContact CG1-CE 3.85Å; I99-S250 VanDerWaalsContact CD1-CB 3.47Å; I99-F254 HydrophobicContact CD1-CE2 4.34Å; I99-F254 HydrophobicContact CG1-CE2 4.49Å; I99-F254 HydrophobicContact CG2-CE2 3.77Å; I99-F254 HydrophobicContact CG2-CZ 4.25Å; I99-H273 WeakPolarHBondContact CA-O 3.48Å; I99-A274 HydrophobicContact CG1-CB 3.95Å; I99-R292 CarbonylContact O-C 3.58Å; I99-R292 WeakPolarHBondContact O-CA 3.49Å; I99-A293 HydrophobicContact CB-CB 4.27Å; I99-A293 HydrophobicContact CG2-CB 3.92Å; I99-A293 PolarHBondContact O-N 2.83Å; I99-G294 PolarHBondContact N-O 2.96Å; I99-L295 HydrophobicContact CD1-CD1 4.13Å; I99-L295 HydrophobicContact CD1-CG 3.99Å; I99-L295 HydrophobicContact CG1-CD1 3.87Å; I99-L295 HydrophobicContact CG1-CG 3.99Å
100Q97.9Very high97.7Very high18 Ų1831.8 Ų31.88%0.08415%0.151CC..EExtended strand (participates in β ladder)trans-149.7165.9-173.468.7-17114.100112.6S98 P272 H273 V290 I291 R292S98-Q100 PolarHBondContact O-N 3.18Å; S98-Q100 PolarHBondContact OG-OE1 3.24Å; Q100-P272 WeakPolarHBondContact O-CA 3.41Å; Q100-H273 VanDerWaalsContact CG-NE2 3.33Å; Q100-H273 WeakPolarHBondContact CG-NE2 3.34Å; Q100-H273 PolarHBondContact N-O 3.43Å; Q100-H273 PolarHBondContact NE2-NE2 2.86Å; Q100-H273 VanDerWaalsContact NE2-NE2 3.1Å; Q100-H273 PolarHBondContact O-N 3.27Å; Q100-H273 PolarHBondContact O-ND1 3.27Å; Q100-V290 HydrophobicContact CB-CG2 3.7Å; Q100-V290 HydrophobicContact CG-CG2 4.14Å; Q100-V290 VanDerWaalsContact OE1-CG2 3.27Å; Q100-I291 CarbonylContact C-O 3.55Å; Q100-I291 WeakPolarHBondContact CA-O 3.32Å; Q100-I291 WeakPolarHBondContact CB-O 3.45Å; Q100-R292 HydrophobicContact CB-CG 4.42Å
101A97.9Very high97.6Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-142.1153.2165.800000109.6I291 L305 I308 I309A101-I291 PolarHBondContact N-O 2.82Å; A101-I291 PolarHBondContact O-N 2.91Å; A101-L305 HydrophobicContact CB-CD1 4.28Å; A101-I308 HydrophobicContact CB-CD1 4.37Å; A101-I309 HydrophobicContact CB-CG2 3.61Å
102H97.2Very high97.5Very high1 Ų135 Ų351%0.00517%0.166CC..PPolyproline II helixtrans-102.7122.8176.2-58.7-54.2000109.4K125 E127 P269 N270 H273 N289H102-K125 HydrophobicContact CB-CB 4.03Å; H102-K125 WeakPolarHBondContact CB-O 3.33Å; H102-K125 PolarHBondContact CD2-O 3.37Å; H102-E127 IonicContact NE2-OE2 3.56Å; H102-P269 CarbonylContact O-C 3.59Å; H102-P269 WeakPolarHBondContact O-CA 3.42Å; H102-N270 PolarHBondContact O-N 3.1Å; H102-N270 PolarHBondContact O-OD1 3.34Å; H102-H273 AromaticContact CD2-CE1 3.6Å; H102-H273 AromaticContact NE2-CE1 3.42Å; H102-H273 PolarHBondContact NE2-CE1 2.97Å; H102-H273 AromaticContact NE2-NE2 3.54Å; H102-N289 PolarHBondContact ND1-O 2.98Å
103P97Very high97.5Very high0 Ų038.6 Ų38.60%020%0.196CC..PPolyproline II helixtrans-62.9152.9177.627.1-33.4000111.1Y107 A108 L111 N270 N289 I308P103-Y107 HydrophobicContact CB-CD1 4Å; P103-A108 HydrophobicContact CB-CB 4.41Å; P103-A108 HydrophobicContact CG-CB 4.01Å; P103-L111 HydrophobicContact CB-CD1 4.27Å; P103-L111 HydrophobicContact CG-CD1 4.09Å; P103-N270 WeakPolarHBondContact CA-OD1 3.47Å; P103-N289 WeakPolarHBondContact CG-OD1 3.38Å; P103-I308 HydrophobicContact CB-CD1 4.1Å
104D96.7Very high97.3Very high56 Ų5644.4 Ų44.430%0.29923%0.227SC..PPolyproline II helixtrans-63.6168.9165.364.851.6000111.6E106 Y107 A108 P269 N270D104-E106 VanDerWaalsContact C-N 3.31Å; D104-E106 PolarHBondContact O-N 3.17Å; D104-E106 PolarHBondContact OD1-N 3.47Å; D104-E106 VanDerWaalsContact OD1-N 3.15Å; D104-Y107 PolarHBondContact O-N 3.09Å; D104-Y107 WeakPolarHBondContact OD1-CB 3.44Å; D104-Y107 PolarHBondContact OD1-N 3.03Å; D104-A108 WeakPolarHBondContact O-CB 3.11Å; D104-A108 PolarHBondContact O-N 3.48Å; D104-P269 HydrophobicContact CB-CB 3.92Å; D104-N270 PolarHBondContact N-OD1 2.95Å; D104-N270 PolarHBondContact OD2-ND2 3.42Å
105K95Very high97.2Very high114 Ų11445.4 Ų45.450%0.49623%0.231SC..Hα-helixtrans-62.4-36.5-172.8-164.5163.7-172.5156.70113.3A109 H124K105-A109 PolarHBondContact O-N 3.1Å; K105-H124 HydrophobicContact CB-CB 4.13Å
106E96.6Very high97Very high131 Ų13146.9 Ų46.961%0.61225%0.245SC*.Hα-helixtrans-69.6-44.4179.2-170.7-169.7149.400110.6D104 A109 K110D104-E106 VanDerWaalsContact C-N 3.31Å; D104-E106 PolarHBondContact O-N 3.17Å; D104-E106 PolarHBondContact OD1-N 3.47Å; D104-E106 VanDerWaalsContact OD1-N 3.15Å; E106-A109 PolarHBondContact O-N 2.91Å; E106-K110 WeakPolarHBondContact O-CG 3.48Å; E106-K110 PolarHBondContact O-N 2.88Å; E106-K110 WeakPolarHBondContact OE1-CE 3.49Å; E106-K110 IonicContact OE1-NZ 2.63Å; E106-K110 PolarHBondContact OE1-NZ 2.97Å
107Y96.8Very high96.8Very high35 Ų3551.8 Ų51.814%0.13727%0.271CS..Hα-helixtrans-73.2-35.7-179.3-155.3-94.1000112.4P103 D104 A109 K110 L111 H304 R307 I308P103-Y107 HydrophobicContact CB-CD1 4Å; D104-Y107 PolarHBondContact O-N 3.09Å; D104-Y107 WeakPolarHBondContact OD1-CB 3.44Å; D104-Y107 PolarHBondContact OD1-N 3.03Å; Y107-A109 VanDerWaalsContact C-N 3.31Å; Y107-A109 PolarHBondContact O-N 3.17Å; Y107-K110 HydrophobicContact CD2-CD 4.48Å; Y107-K110 PolarHBondContact O-N 2.86Å; Y107-L111 HydrophobicContact CD1-CD1 3.64Å; Y107-L111 HydrophobicContact CD1-CD2 4.4Å; Y107-L111 HydrophobicContact CD1-CG 3.76Å; Y107-L111 HydrophobicContact CE1-CD1 3.76Å; Y107-L111 HydrophobicContact CE1-CD2 3.86Å; Y107-L111 HydrophobicContact CE1-CG 3.74Å; Y107-L111 WeakPolarHBondContact O-CG 3.44Å; Y107-L111 PolarHBondContact O-N 3.01Å; Y107-H304 PolarHBondContact OH-CD2 3.48Å; Y107-R307 WeakPolarHBondContact OH-CD 3.39Å; Y107-I308 HydrophobicContact CD1-CG2 3.51Å; Y107-I308 HydrophobicContact CD2-CG2 4.24Å; Y107-I308 HydrophobicContact CE1-CG2 3.29Å; Y107-I308 HydrophobicContact CE2-CG2 4.08Å; Y107-I308 HydrophobicContact CG-CG2 3.96Å
108A97.2Very high96.5Very high0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-55.3-46.8171.800000111.6P103 D104 K110 L111 H112 N123 N289P103-A108 HydrophobicContact CB-CB 4.41Å; P103-A108 HydrophobicContact CG-CB 4.01Å; D104-A108 WeakPolarHBondContact O-CB 3.11Å; D104-A108 PolarHBondContact O-N 3.48Å; A108-K110 PolarHBondContact O-N 2.96Å; A108-L111 PolarHBondContact O-N 3.16Å; A108-H112 WeakPolarHBondContact O-CB 3.33Å; A108-H112 PolarHBondContact O-N 3.2Å; A108-N123 WeakPolarHBondContact CB-O 3.45Å; A108-N289 WeakPolarHBondContact CA-ND2 3.39Å; A108-N289 WeakPolarHBondContact CB-ND2 3.32Å
109A97.5Very high96.4Very high42 Ų4253.6 Ų53.635%0.34728%0.279SS..Hα-helixtrans-61.9-41.5176.400000112.6K105 E106 Y107 A113 A122K105-A109 PolarHBondContact O-N 3.1Å; E106-A109 PolarHBondContact O-N 2.91Å; Y107-A109 VanDerWaalsContact C-N 3.31Å; Y107-A109 PolarHBondContact O-N 3.17Å; A109-A113 WeakPolarHBondContact O-CB 3.37Å; A109-A113 PolarHBondContact O-N 3.49Å; A109-A122 HydrophobicContact CB-CB 4.02Å
110K97.2Very high96.1Very high100 Ų10059.5 Ų59.544%0.43530%0.304SS..Hα-helixtrans-63-44.7176-70.2172.5-173.6167.20112E106 Y107 A108 A113 N114E106-K110 WeakPolarHBondContact O-CG 3.48Å; E106-K110 PolarHBondContact O-N 2.88Å; E106-K110 WeakPolarHBondContact OE1-CE 3.49Å; E106-K110 IonicContact OE1-NZ 2.63Å; E106-K110 PolarHBondContact OE1-NZ 2.97Å; Y107-K110 HydrophobicContact CD2-CD 4.48Å; Y107-K110 PolarHBondContact O-N 2.86Å; A108-K110 PolarHBondContact O-N 2.96Å; K110-A113 PolarHBondContact O-N 3.34Å; K110-N114 WeakPolarHBondContact O-CB 3.22Å; K110-N114 VanDerWaalsContact O-CG 3.28Å; K110-N114 PolarHBondContact O-N 3.01Å; K110-N114 VanDerWaalsContact O-N 3.13Å; K110-N114 PolarHBondContact O-ND2 3.05Å
111L96.4Very high95.9Very high5 Ų560.3 Ų60.33%0.02631%0.309CS..Hα-helixtrans-63.4-47178.6-74.8178000111.9P103 Y107 A108 A113 N114 R115 Y119 I291 H304P103-L111 HydrophobicContact CB-CD1 4.27Å; P103-L111 HydrophobicContact CG-CD1 4.09Å; Y107-L111 HydrophobicContact CD1-CD1 3.64Å; Y107-L111 HydrophobicContact CD1-CD2 4.4Å; Y107-L111 HydrophobicContact CD1-CG 3.76Å; Y107-L111 HydrophobicContact CE1-CD1 3.76Å; Y107-L111 HydrophobicContact CE1-CD2 3.86Å; Y107-L111 HydrophobicContact CE1-CG 3.74Å; Y107-L111 WeakPolarHBondContact O-CG 3.44Å; Y107-L111 PolarHBondContact O-N 3.01Å; A108-L111 PolarHBondContact O-N 3.16Å; L111-A113 PolarHBondContact O-N 2.73Å; L111-N114 PolarHBondContact O-N 3.37Å; L111-R115 PolarHBondContact O-N 3.13Å; L111-Y119 HydrophobicContact CB-CD1 4.2Å; L111-Y119 HydrophobicContact CB-CD2 3.66Å; L111-Y119 HydrophobicContact CB-CE2 4.12Å; L111-Y119 HydrophobicContact CB-CG 3.7Å; L111-Y119 HydrophobicContact CD1-CD1 4.05Å; L111-Y119 HydrophobicContact CD1-CE1 3.88Å; L111-Y119 HydrophobicContact CD1-CE2 4.38Å; L111-Y119 HydrophobicContact CD1-CG 4.37Å; L111-Y119 HydrophobicContact CD2-CD2 4.15Å; L111-Y119 HydrophobicContact CD2-CE2 3.72Å; L111-Y119 HydrophobicContact CG-CD2 4.33Å; L111-Y119 HydrophobicContact CG-CE2 4.29Å; L111-I291 HydrophobicContact CD1-CD1 3.66Å; L111-I291 HydrophobicContact CD1-CG1 4.32Å; L111-H304 VanDerWaalsContact CD2-CD2 3.41Å; L111-H304 WeakPolarHBondContact CD2-CD2 3.44Å
112H97.1Very high95.7Very high61 Ų6162.4 Ų62.428%0.28233%0.326SS..Hα-helixtrans-60.6-44177.4-179.859.5000112.1A108 N114 P116 Y119 K120 D121 A122A108-H112 WeakPolarHBondContact O-CB 3.33Å; A108-H112 PolarHBondContact O-N 3.2Å; H112-N114 VanDerWaalsContact C-N 3.29Å; H112-N114 PolarHBondContact O-N 2.91Å; H112-P116 WeakPolarHBondContact O-CA 3.42Å; H112-P116 WeakPolarHBondContact O-CB 3.48Å; H112-P116 VanDerWaalsContact O-CD 3.25Å; H112-P116 WeakPolarHBondContact O-CD 2.98Å; H112-Y119 PolarHBondContact ND1-O 2.77Å; H112-K120 PolarHBondContact CE1-O 3.49Å; H112-K120 PolarHBondContact ND1-O 2.76Å; H112-D121 PolarHBondContact ND1-N 3.21Å; H112-A122 HydrophobicContact CB-CB 4.24Å
113A97.4Very high95.6Very high77 Ų7764 Ų6464%0.63634%0.335SS*.Hα-helixtrans-62.2-36.2177.700000112.8A109 K110 L111A109-A113 WeakPolarHBondContact O-CB 3.37Å; A109-A113 PolarHBondContact O-N 3.49Å; K110-A113 PolarHBondContact O-N 3.34Å; L111-A113 PolarHBondContact O-N 2.73Å
114N96.4Very high95.6Very high122 Ų12265.4 Ų65.465%0.65234%0.341SS*.Hα-helixtrans-85.5-36.2-177-70.3-23.7000113.7K110 L111 H112K110-N114 WeakPolarHBondContact O-CB 3.22Å; K110-N114 VanDerWaalsContact O-CG 3.28Å; K110-N114 PolarHBondContact O-N 3.01Å; K110-N114 VanDerWaalsContact O-N 3.13Å; K110-N114 PolarHBondContact O-ND2 3.05Å; L111-N114 PolarHBondContact O-N 3.37Å; H112-N114 VanDerWaalsContact C-N 3.29Å; H112-N114 PolarHBondContact O-N 2.91Å
115R94.8Very high95.6Very high110 Ų11063.7 Ų63.742%0.41533%0.331SS..  trans-142.564.8-172.7-70-60.3-57.4-82.63.3111.2L111 D117 L118 Y119L111-R115 PolarHBondContact O-N 3.13Å; R115-D117 WeakPolarHBondContact CA-OD1 3.16Å; R115-D117 IonicContact CZ-OD1 3.8Å; R115-D117 IonicContact CZ-OD2 3.3Å; R115-D117 IonicContact NE-OD1 2.77Å; R115-D117 PolarHBondContact NE-OD1 2.79Å; R115-D117 IonicContact NE-OD2 3.82Å; R115-D117 IonicContact NH2-OD1 3.16Å; R115-D117 IonicContact NH2-OD2 3.55Å; R115-D117 PolarHBondContact NH2-OD2 3.09Å; R115-D117 PolarHBondContact O-N 3.04Å; R115-D117 VanDerWaalsContact O-N 3.13Å; R115-L118 VanDerWaalsContact NH2-CD1 3.25Å; R115-L118 PolarHBondContact O-N 2.87Å; R115-Y119 HydrophobicContact CB-CD2 3.85Å; R115-Y119 HydrophobicContact CB-CE2 4.19Å; R115-Y119 PolarHBondContact O-N 2.85Å
116P95Very high95.7Very high75 Ų7558.3 Ų58.349%0.48731%0.308SS..THydrogen-bonded Turntrans-64.8-17.1-177.827-34.7000113.3H112 Y119H112-P116 WeakPolarHBondContact O-CA 3.42Å; H112-P116 WeakPolarHBondContact O-CB 3.48Å; H112-P116 VanDerWaalsContact O-CD 3.25Å; H112-P116 WeakPolarHBondContact O-CD 2.98Å; P116-Y119 WeakPolarHBondContact CA-O 3.44Å
117D94.1Very high95.8Very high105 Ų10552.1 Ų52.156%0.56128%0.279SS*.THydrogen-bonded Turntrans-68.7-31.6173.362.5-56.5000113R115R115-D117 WeakPolarHBondContact CA-OD1 3.16Å; R115-D117 IonicContact CZ-OD1 3.8Å; R115-D117 IonicContact CZ-OD2 3.3Å; R115-D117 IonicContact NE-OD1 2.77Å; R115-D117 PolarHBondContact NE-OD1 2.79Å; R115-D117 IonicContact NE-OD2 3.82Å; R115-D117 IonicContact NH2-OD1 3.16Å; R115-D117 IonicContact NH2-OD2 3.55Å; R115-D117 PolarHBondContact NH2-OD2 3.09Å; R115-D117 PolarHBondContact O-N 3.04Å; R115-D117 VanDerWaalsContact O-N 3.13Å
118L92.6Very high95.9Very high66 Ų6650.5 Ų50.535%0.34627%0.273SS..THydrogen-bonded Turntrans-101.1-40.5179.3-65.2-178.2000112.4R115 F299R115-L118 VanDerWaalsContact NH2-CD1 3.25Å; R115-L118 PolarHBondContact O-N 2.87Å; L118-F299 HydrophobicContact CD1-CD1 4.15Å; L118-F299 HydrophobicContact CD1-CE1 3.77Å
119Y94.5Very high95.9Very high7 Ų750.5 Ų50.53%0.02727%0.273CS..  trans-110.497.1-176.7-55.9-71.2000108.5L111 H112 R115 P116 D121 N289 I291 D301L111-Y119 HydrophobicContact CB-CD1 4.2Å; L111-Y119 HydrophobicContact CB-CD2 3.66Å; L111-Y119 HydrophobicContact CB-CE2 4.12Å; L111-Y119 HydrophobicContact CB-CG 3.7Å; L111-Y119 HydrophobicContact CD1-CD1 4.05Å; L111-Y119 HydrophobicContact CD1-CE1 3.88Å; L111-Y119 HydrophobicContact CD1-CE2 4.38Å; L111-Y119 HydrophobicContact CD1-CG 4.37Å; L111-Y119 HydrophobicContact CD2-CD2 4.15Å; L111-Y119 HydrophobicContact CD2-CE2 3.72Å; L111-Y119 HydrophobicContact CG-CD2 4.33Å; L111-Y119 HydrophobicContact CG-CE2 4.29Å; H112-Y119 PolarHBondContact ND1-O 2.77Å; R115-Y119 HydrophobicContact CB-CD2 3.85Å; R115-Y119 HydrophobicContact CB-CE2 4.19Å; R115-Y119 PolarHBondContact O-N 2.85Å; P116-Y119 WeakPolarHBondContact CA-O 3.44Å; Y119-D121 VanDerWaalsContact C-N 3.34Å; Y119-D121 PolarHBondContact O-N 3.27Å; Y119-N289 WeakPolarHBondContact CD1-OD1 3.4Å; Y119-I291 HydrophobicContact CE1-CG1 4.08Å; Y119-D301 PolarHBondContact OH-OD2 3.27Å
120K92.2Very high96Very high124 Ų12448.6 Ų48.654%0.53926%0.257SS..  trans-75.5-18.1-163.6-63.2177.5-175.2174.70115.3H112 D288H112-K120 PolarHBondContact CE1-O 3.49Å; H112-K120 PolarHBondContact ND1-O 2.76Å; K120-D288 HydrophobicContact CB-CB 4.18Å; K120-D288 HydrophobicContact CD-CB 3.96Å; K120-D288 WeakPolarHBondContact CD-OD2 3.39Å; K120-D288 IonicContact NZ-OD2 3.58Å; K120-D288 PolarHBondContact NZ-OD2 2.99Å
121D93.8Very high96.1Very high36 Ų3643.9 Ų43.919%0.19324%0.237CC..  trans-147.3160179.866.988.3000111.9H112 Y119 N123 S287 D288 N289H112-D121 PolarHBondContact ND1-N 3.21Å; Y119-D121 VanDerWaalsContact C-N 3.34Å; Y119-D121 PolarHBondContact O-N 3.27Å; D121-N123 WeakPolarHBondContact OD1-CB 3.2Å; D121-N123 PolarHBondContact OD1-N 3.13Å; D121-S287 WeakPolarHBondContact OD1-CB 3.27Å; D121-S287 PolarHBondContact OD1-OG 3.17Å; D121-S287 PolarHBondContact OD2-OG 3.06Å; D121-D288 WeakPolarHBondContact OD2-CA 3.44Å; D121-D288 PolarHBondContact OD2-N 3.02Å; D121-N289 PolarHBondContact O-ND2 3.27Å
122A94.8Very high96.2Very high43 Ų4344.3 Ų44.336%0.35524%0.239SC..SBendtrans-89.75.6-177.900000113.7A109 H112A109-A122 HydrophobicContact CB-CB 4.02Å; H112-A122 HydrophobicContact CB-CB 4.24Å
123N95.4Very high96.3Very high36 Ų3642.8 Ų42.819%0.19323%0.234CC..  trans-87.9155.8-175.5-161.828000111.1A108 D121 S286 S287A108-N123 WeakPolarHBondContact CB-O 3.45Å; D121-N123 WeakPolarHBondContact OD1-CB 3.2Å; D121-N123 PolarHBondContact OD1-N 3.13Å; N123-S286 PolarHBondContact ND2-O 2.9Å; N123-S287 PolarHBondContact O-OG 2.85Å
124H96Very high96.3Very high28 Ų2843.8 Ų43.813%0.1323%0.234CC..  trans-71.2168.7165.261.7-151.8000110.6K105 P126 S287 D365K105-H124 HydrophobicContact CB-CB 4.13Å; H124-P126 WeakPolarHBondContact CD2-CD 3.37Å; H124-S287 WeakPolarHBondContact O-CB 3.43Å; H124-D365 IonicContact CE1-OD2 3.54Å; H124-D365 IonicContact NE2-OD1 2.77Å; H124-D365 IonicContact NE2-OD2 3.53Å; H124-D365 PolarHBondContact NE2-OD2 3.5Å
125K96.5Very high96.4Very high21 Ų2138 Ų389%0.09120%0.203CC..  trans-139.961.4177.7-167.3-176.7162.198.70111.2H102 M284 S287 N289H102-K125 HydrophobicContact CB-CB 4.03Å; H102-K125 WeakPolarHBondContact CB-O 3.33Å; H102-K125 PolarHBondContact CD2-O 3.37Å; K125-M284 HydrophobicContact CD-CE 3.96Å; K125-M284 HydrophobicContact CG-CE 3.83Å; K125-S287 WeakPolarHBondContact CD-O 3.28Å; K125-S287 PolarHBondContact NZ-O 3.24Å; K125-N289 WeakPolarHBondContact CD-O 3.42Å
126P97.3Very high96.6Very high0 Ų034.3 Ų34.30%019%0.19CC..  trans-57.4143.4165.929-36.1000108.8H124 F266 M284 A285 V363 F366H124-P126 WeakPolarHBondContact CD2-CD 3.37Å; P126-F266 HydrophobicContact CB-CE2 3.87Å; P126-F266 HydrophobicContact CB-CZ 3.86Å; P126-M284 VanDerWaalsContact O-CA 3.27Å; P126-M284 WeakPolarHBondContact O-CA 3.32Å; P126-A285 HydrophobicContact CG-CB 3.9Å; P126-A285 PolarHBondContact O-N 2.8Å; P126-A285 VanDerWaalsContact O-N 3.08Å; P126-V363 HydrophobicContact CB-CG1 4.01Å; P126-V363 HydrophobicContact CB-CG2 4.47Å; P126-V363 HydrophobicContact CG-CB 4.39Å; P126-V363 HydrophobicContact CG-CG1 3.95Å; P126-V363 HydrophobicContact CG-CG2 4.28Å; P126-F366 HydrophobicContact CG-CE1 4.36Å; P126-F366 WeakPolarHBondContact O-CE1 3.25Å
127E98.3Very high96.8Very high2 Ų230.8 Ų30.81%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-139.8150.5-171.9-178.6179.7124.100110.1H102 F266 L267 Y275 E282 C283 M284H102-E127 IonicContact NE2-OE2 3.56Å; E127-F266 WeakPolarHBondContact O-CD2 3.08Å; E127-L267 HydrophobicContact CB-CB 4.17Å; E127-L267 HydrophobicContact CB-CD1 4.24Å; E127-L267 HydrophobicContact CG-CD1 4.21Å; E127-L267 PolarHBondContact N-O 3.49Å; E127-L267 VanDerWaalsContact N-O 3.15Å; E127-L267 PolarHBondContact O-N 2.98Å; E127-Y275 VanDerWaalsContact OE1-CE2 3.31Å; E127-Y275 WeakPolarHBondContact OE1-CE2 3.49Å; E127-Y275 PolarHBondContact OE1-OH 2.91Å; E127-E282 HydrophobicContact CG-CG 3.79Å; E127-C283 CarbonylContact C-O 3.54Å; E127-C283 WeakPolarHBondContact CA-O 3.28Å; E127-M284 HydrophobicContact CB-CB 4.14Å; E127-M284 HydrophobicContact CG-CB 4.14Å; E127-M284 HydrophobicContact CG-CE 4.42Å; E127-M284 VanDerWaalsContact OE2-CE 3.26Å; E127-M284 WeakPolarHBondContact OE2-CE 3.25Å
128M98.7Very high97Very high1 Ų125.8 Ų25.81%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-135133.9175.3177.6171.3-68.500109.1I130 I265 F266 E282 C283 F321 F359 P361 F366 V368M128-I130 HydrophobicContact CG-CG1 4.23Å; M128-I130 HydrophobicContact SD-CD1 4.46Å; M128-I130 HydrophobicContact SD-CG1 4.44Å; M128-I265 WeakPolarHBondContact CA-O 3.43Å; M128-I265 WeakPolarHBondContact CG-O 3.26Å; M128-F266 HydrophobicContact CB-CD2 4.43Å; M128-F266 HydrophobicContact CE-CB 4.21Å; M128-F266 HydrophobicContact CE-CD2 4.11Å; M128-F266 HydrophobicContact CE-CG 4.49Å; M128-E282 CarbonylContact O-C 3.54Å; M128-E282 VanDerWaalsContact O-CA 3.23Å; M128-E282 WeakPolarHBondContact O-CA 3.49Å; M128-C283 PolarHBondContact N-O 3.01Å; M128-C283 PolarHBondContact O-N 2.77Å; M128-F321 HydrophobicContact CE-CD1 3.71Å; M128-F321 HydrophobicContact CE-CE1 3.76Å; M128-F321 HydrophobicContact CE-CG 4.25Å; M128-F321 HydrophobicContact CE-CZ 4.32Å; M128-F359 HydrophobicContact CE-CB 4.03Å; M128-F359 HydrophobicContact SD-CB 3.46Å; M128-F359 WeakPolarHBondContact SD-CB 3.39Å; M128-F359 HydrophobicContact SD-CG 4.25Å; M128-P361 HydrophobicContact CE-CB 3.75Å; M128-P361 HydrophobicContact CE-CG 3.7Å; M128-F366 HydrophobicContact CB-CE2 3.62Å; M128-F366 HydrophobicContact CB-CZ 4.03Å; M128-F366 HydrophobicContact CE-CE2 4.49Å; M128-V368 HydrophobicContact SD-CG2 4.48Å
129A98.8Very high97.3Very high0 Ų022.7 Ų22.70%012%0.124CC..EExtended strand (participates in β ladder)trans-116.4134.5170.300000110.3A264 I265 Y275 C280 V281A129-A264 CarbonylContact O-C 3.57Å; A129-A264 WeakPolarHBondContact O-CA 3.21Å; A129-A264 WeakPolarHBondContact O-CB 3.47Å; A129-I265 HydrophobicContact CB-CD1 4.42Å; A129-I265 HydrophobicContact CB-CG1 4Å; A129-I265 PolarHBondContact N-O 3.23Å; A129-I265 PolarHBondContact O-N 3.41Å; A129-Y275 HydrophobicContact CB-CE1 4.18Å; A129-Y275 HydrophobicContact CB-CE2 4.45Å; A129-Y275 WeakPolarHBondContact CB-OH 3.35Å; A129-C280 HydrophobicContact CB-CB 4.47Å; A129-V281 CarbonylContact C-O 3.58Å; A129-V281 WeakPolarHBondContact CA-O 3.33Å
130I98.9Very high97.5Very high1 Ų122.4 Ų22.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-122.1120.1174.9-48166000108.2M128 E263 A264 C280 V281 F359 V368 F468M128-I130 HydrophobicContact CG-CG1 4.23Å; M128-I130 HydrophobicContact SD-CD1 4.46Å; M128-I130 HydrophobicContact SD-CG1 4.44Å; I130-E263 WeakPolarHBondContact CA-O 3.23Å; I130-A264 HydrophobicContact CB-CB 4.36Å; I130-A264 HydrophobicContact CG1-CB 3.84Å; I130-A264 HydrophobicContact CG2-CB 4.34Å; I130-C280 CarbonylContact O-C 3.55Å; I130-C280 VanDerWaalsContact O-CA 3.24Å; I130-C280 WeakPolarHBondContact O-CA 3.4Å; I130-C280 VanDerWaalsContact O-CB 3.25Å; I130-C280 WeakPolarHBondContact O-CB 3.5Å; I130-V281 PolarHBondContact N-O 2.96Å; I130-V281 PolarHBondContact O-N 3.43Å; I130-F359 HydrophobicContact CD1-CD2 3.52Å; I130-F359 HydrophobicContact CD1-CE2 3.79Å; I130-F359 HydrophobicContact CD1-CG 4.2Å; I130-F359 HydrophobicContact CG1-CD2 4.27Å; I130-F359 HydrophobicContact CG1-CE2 4.32Å; I130-F359 HydrophobicContact CG2-CE2 4.13Å; I130-F359 HydrophobicContact CG2-CZ 4.21Å; I130-V368 HydrophobicContact CD1-CB 3.89Å; I130-V368 HydrophobicContact CD1-CG1 3.54Å; I130-F468 HydrophobicContact CB-CE1 4.11Å; I130-F468 HydrophobicContact CD1-CD1 4.11Å; I130-F468 HydrophobicContact CD1-CE1 4.01Å; I130-F468 HydrophobicContact CG2-CE1 3.77Å; I130-F468 HydrophobicContact CG2-CZ 4.31Å
131A98.9Very high97.8Very high2 Ų216.6 Ų16.62%0.01710%0.099CC..EExtended strand (participates in β ladder)trans-67.2132.7-172.600000112.2F135 L259 S260 P261 G262 E263A131-F135 HydrophobicContact CB-CB 3.75Å; A131-L259 HydrophobicContact CB-CB 3.86Å; A131-S260 WeakPolarHBondContact CB-O 3.42Å; A131-P261 CarbonylContact O-C 3.56Å; A131-P261 WeakPolarHBondContact O-CA 3.08Å; A131-G262 PolarHBondContact O-N 2.95Å; A131-E263 PolarHBondContact N-O 2.93Å
132L98.7Very high97.9Very high14 Ų1415.4 Ų15.47%0.0739%0.092CC..SBendtrans-97.9-33.6170.8-67.1180000111.7E21 V90 D279 V281 I394 L466 F468E21-L132 HydrophobicContact CG-CD1 4.04Å; V90-L132 HydrophobicContact CG1-CD1 3.91Å; L132-D279 HydrophobicContact CB-CB 4.14Å; L132-D279 PolarHBondContact N-O 2.98Å; L132-V281 HydrophobicContact CD1-CG2 4.02Å; L132-V281 HydrophobicContact CD2-CG2 3.9Å; L132-V281 HydrophobicContact CG-CG2 4.06Å; L132-I394 HydrophobicContact CD1-CD1 4.14Å; L132-I394 HydrophobicContact CD1-CG2 4.31Å; L132-I394 HydrophobicContact CD2-CG1 4.25Å; L132-I394 HydrophobicContact CD2-CG2 4.12Å; L132-L466 HydrophobicContact CD2-CD2 4.48Å; L132-F468 HydrophobicContact CD2-CD2 4.34Å; L132-F468 HydrophobicContact CD2-CE2 3.44Å; L132-F468 VanDerWaalsContact CD2-CE2 3.44Å; L132-F468 HydrophobicContact CD2-CZ 3.76Å
133T98.6Very high97.9Very high29 Ų2913.7 Ų13.718%0.1788%0.077CC..SBendtrans-121.2175.8170.268.30000108.8F135 D279T133-F135 PolarHBondContact O-N 3.42Å; T133-D279 HydrophobicContact CG2-CB 4.05Å; T133-D279 VanDerWaalsContact CG2-OD2 3.27Å; T133-D279 WeakPolarHBondContact CG2-OD2 3.33Å; T133-D279 PolarHBondContact N-O 3.01Å; T133-D279 PolarHBondContact OG1-N 2.86Å
134P98.7Very high97.8Very high98 Ų9812.2 Ų12.264%0.6367%0.069SC*.SBendtrans-45.9124.3160.5-28.737.1000109.9L259 G278P134-L259 WeakPolarHBondContact CA-O 3.37Å; P134-G278 WeakPolarHBondContact O-CA 3.12Å
135F98.8Very high97.6Very high1 Ų112.5 Ų12.50%0.0047%0.07CC..EExtended strand (participates in β ladder)trans-129.6130.1-171.4-169-90.1000109.6V93 A131 T133 A137 L259 Y275 S277 C280V93-F135 HydrophobicContact CG2-CE2 4.07Å; V93-F135 HydrophobicContact CG2-CZ 4.34Å; A131-F135 HydrophobicContact CB-CB 3.75Å; T133-F135 PolarHBondContact O-N 3.42Å; F135-A137 HydrophobicContact CE1-CB 4.34Å; F135-L259 HydrophobicContact CB-CB 4.27Å; F135-L259 HydrophobicContact CD1-CD1 4.21Å; F135-L259 PolarHBondContact N-O 2.84Å; F135-L259 PolarHBondContact O-N 2.8Å; F135-Y275 AromaticContact CE1-CD1 3.67Å; F135-Y275 HydrophobicContact CE1-CD1 3.67Å; F135-Y275 HydrophobicContact CE1-CE1 4.21Å; F135-Y275 AromaticContact CE1-CG 3.85Å; F135-Y275 HydrophobicContact CE1-CG 3.85Å; F135-Y275 AromaticContact CZ-CD1 3.91Å; F135-Y275 HydrophobicContact CZ-CD1 3.91Å; F135-Y275 AromaticContact CZ-CD2 3.96Å; F135-Y275 HydrophobicContact CZ-CD2 3.96Å; F135-Y275 AromaticContact CZ-CG 3.59Å; F135-Y275 HydrophobicContact CZ-CG 3.59Å; F135-S277 WeakPolarHBondContact CA-O 3.42Å; F135-S277 WeakPolarHBondContact CD2-O 3.31Å; F135-C280 HydrophobicContact CD2-CB 3.77Å; F135-C280 HydrophobicContact CE2-CB 3.62Å; F135-C280 WeakPolarHBondContact CE2-SG 3.27Å; F135-C280 HydrophobicContact CG-CB 4.37Å; F135-C280 HydrophobicContact CZ-CB 4.09Å
136E98.8Very high97.5Very high32 Ų3212.1 Ų12.115%0.157%0.069CC..EExtended strand (participates in β ladder)trans-110.5132.7-175.9-59.9178-124.300110R237 Y256 L257 K258 L276 S277E136-R237 VanDerWaalsContact CD-NH2 3.33Å; E136-R237 IonicContact OE1-CZ 3.92Å; E136-R237 IonicContact OE1-NH1 2.7Å; E136-R237 PolarHBondContact OE1-NH1 2.94Å; E136-R237 IonicContact OE1-NH2 2.7Å; E136-R237 PolarHBondContact OE1-NH2 3.15Å; E136-R237 IonicContact OE2-CZ 2.74Å; E136-R237 IonicContact OE2-NH1 2.7Å; E136-R237 IonicContact OE2-NH2 2.81Å; E136-R237 PolarHBondContact OE2-NH2 2.65Å; E136-Y256 HydrophobicContact CB-CE2 4.07Å; E136-Y256 HydrophobicContact CG-CE2 4.35Å; E136-Y256 WeakPolarHBondContact OE2-CE2 3.23Å; E136-Y256 PolarHBondContact OE2-OH 2.56Å; E136-L257 WeakPolarHBondContact CA-O 3.25Å; E136-K258 HydrophobicContact CG-CG 4.42Å; E136-L276 HydrophobicContact CB-CB 3.93Å; E136-L276 WeakPolarHBondContact O-CB 3.36Å; E136-L276 PolarHBondContact O-N 3.49Å; E136-S277 WeakPolarHBondContact CB-OG 3.28Å; E136-S277 VanDerWaalsContact CG-OG 3.23Å; E136-S277 WeakPolarHBondContact CG-OG 3.41Å; E136-S277 PolarHBondContact N-O 2.94Å; E136-S277 PolarHBondContact O-N 3.41Å; E136-S277 PolarHBondContact OE1-OG 3.2Å
137A98.8Very high97.5Very high0 Ų012.1 Ų12.10%07%0.069CC..EExtended strand (participates in β ladder)trans-142.2153.1177.300000111.8F135 V139 L257 I265 A274 Y275F135-A137 HydrophobicContact CE1-CB 4.34Å; A137-V139 HydrophobicContact CB-CG2 3.99Å; A137-L257 PolarHBondContact N-O 3.18Å; A137-L257 PolarHBondContact O-N 2.67Å; A137-I265 HydrophobicContact CB-CD1 4.12Å; A137-A274 CarbonylContact C-O 3.55Å; A137-A274 WeakPolarHBondContact CA-O 3.36Å; A137-Y275 HydrophobicContact CB-CD1 4.09Å
138M98.4Very high97.4Very high0 Ų012 Ų120%07%0.069CC..EExtended strand (participates in β ladder)trans-100.3129.7160.8-58.9-170.9-62.100108.4I99 L251 F254 N255 H273 A274 L276 L295I99-M138 HydrophobicContact CD1-CE 4.01Å; I99-M138 HydrophobicContact CG1-CE 3.85Å; M138-L251 HydrophobicContact CG-CD1 4.27Å; M138-L251 VanDerWaalsContact SD-CA 3.52Å; M138-L251 HydrophobicContact SD-CB 4Å; M138-L251 HydrophobicContact SD-CD1 3.8Å; M138-F254 HydrophobicContact CB-CB 3.95Å; M138-F254 HydrophobicContact CB-CD2 4.02Å; M138-F254 HydrophobicContact CB-CG 4.48Å; M138-F254 HydrophobicContact CE-CD2 4.44Å; M138-F254 HydrophobicContact SD-CD2 4.45Å; M138-N255 CarbonylContact C-O 3.58Å; M138-N255 VanDerWaalsContact CA-O 3.27Å; M138-N255 WeakPolarHBondContact CA-O 3.46Å; M138-H273 CarbonylContact O-C 3.51Å; M138-H273 WeakPolarHBondContact O-CA 3.43Å; M138-H273 WeakPolarHBondContact O-CB 3.46Å; M138-A274 HydrophobicContact CE-CB 3.76Å; M138-A274 PolarHBondContact N-O 2.83Å; M138-A274 PolarHBondContact O-N 3.28Å; M138-L276 HydrophobicContact CE-CD2 4.02Å; M138-L276 HydrophobicContact CG-CD1 3.78Å; M138-L276 HydrophobicContact CG-CD2 4.04Å; M138-L276 HydrophobicContact CG-CG 4.12Å; M138-L276 HydrophobicContact SD-CD2 4.38Å; M138-L295 HydrophobicContact CE-CD1 3.63Å
139V98.7Very high97.3Very high1 Ų112.2 Ų12.21%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-147.6125.5-177.4-173.30000110.8A137 N255 L257 I265 L267 L271 H273 L319A137-V139 HydrophobicContact CB-CG2 3.99Å; V139-N255 PolarHBondContact N-O 3.12Å; V139-N255 WeakPolarHBondContact O-CB 3.37Å; V139-N255 PolarHBondContact O-N 3.23Å; V139-N255 PolarHBondContact O-ND2 3.1Å; V139-L257 HydrophobicContact CB-CD1 4.01Å; V139-L257 HydrophobicContact CG2-CD1 3.95Å; V139-I265 HydrophobicContact CG2-CD1 3.9Å; V139-L267 HydrophobicContact CG1-CD2 3.88Å; V139-L267 HydrophobicContact CG2-CD2 4.29Å; V139-L271 HydrophobicContact CG1-CD2 3.56Å; V139-L271 HydrophobicContact CG1-CG 4.08Å; V139-H273 HydrophobicContact CG1-CB 4.46Å; V139-H273 HydrophobicContact CG2-CB 4.25Å; V139-L319 HydrophobicContact CB-CD1 4.15Å; V139-L319 HydrophobicContact CG1-CD1 4.12Å; V139-L319 HydrophobicContact CG1-CD2 4.11Å; V139-L319 WeakPolarHBondContact O-CD1 3.31Å
140G98.3Very high97.2Very high2 Ų212.2 Ų12.22%0.0217%0.07CC..EExtended strand (participates in β ladder)trans59.3164.2174.400000114.4F254 N255 P272G140-F254 CarbonylContact O-C 3.59Å; G140-F254 WeakPolarHBondContact O-CA 3.33Å; G140-F254 WeakPolarHBondContact O-CB 3.29Å; G140-N255 PolarHBondContact O-N 3.27Å; G140-N255 PolarHBondContact O-ND2 2.9Å; G140-P272 PolarHBondContact N-O 2.87Å
141F98.4Very high97.2Very high2 Ų212.2 Ų12.21%0.0097%0.07CC..EExtended strand (participates in β ladder)trans-73.4135.2177.2-68.3-82.6000111.7I147 V184 Y188 F253 F254 N255 P272 I309 Q310 Y311 P313 R314F141-I147 HydrophobicContact CD1-CD1 4.32Å; F141-V184 HydrophobicContact CB-CG1 3.9Å; F141-V184 HydrophobicContact CD1-CG1 3.39Å; F141-V184 HydrophobicContact CD2-CG1 4.06Å; F141-V184 HydrophobicContact CE1-CG1 3.85Å; F141-V184 HydrophobicContact CE2-CG1 4.46Å; F141-V184 HydrophobicContact CG-CG1 3.5Å; F141-V184 HydrophobicContact CZ-CG1 4.36Å; F141-Y188 AromaticContact CE1-CD1 3.95Å; F141-Y188 HydrophobicContact CE1-CD1 3.95Å; F141-Y188 AromaticContact CE1-CD2 3.81Å; F141-Y188 HydrophobicContact CE1-CD2 3.81Å; F141-Y188 HydrophobicContact CE1-CE1 4.48Å; F141-Y188 HydrophobicContact CE1-CE2 4.36Å; F141-Y188 AromaticContact CE1-CG 3.57Å; F141-Y188 HydrophobicContact CE1-CG 3.57Å; F141-Y188 AromaticContact CZ-CD1 3.59Å; F141-Y188 HydrophobicContact CZ-CD1 3.59Å; F141-Y188 HydrophobicContact CZ-CD2 4.3Å; F141-Y188 HydrophobicContact CZ-CE1 4.07Å; F141-Y188 AromaticContact CZ-CG 3.71Å; F141-Y188 HydrophobicContact CZ-CG 3.71Å; F141-F253 WeakPolarHBondContact CA-O 3.48Å; F141-F253 HydrophobicContact CD1-CB 4.12Å; F141-F253 HydrophobicContact CD1-CD1 4.34Å; F141-F253 HydrophobicContact CE1-CB 4.13Å; F141-F253 HydrophobicContact CE1-CD1 4.14Å; F141-F254 AromaticContact CD1-CD1 3.99Å; F141-F254 HydrophobicContact CD1-CD1 3.99Å; F141-F254 AromaticContact CD1-CE1 3.95Å; F141-F254 HydrophobicContact CD1-CE1 3.95Å; F141-F254 HydrophobicContact CE1-CD1 4.08Å; F141-F254 AromaticContact CE1-CE1 3.58Å; F141-F254 HydrophobicContact CE1-CE1 3.58Å; F141-F254 HydrophobicContact CE2-CE1 4.19Å; F141-F254 HydrophobicContact CG-CD1 4.38Å; F141-F254 HydrophobicContact CG-CE1 4.42Å; F141-F254 AromaticContact CZ-CE1 3.72Å; F141-F254 HydrophobicContact CZ-CE1 3.72Å; F141-N255 PolarHBondContact O-ND2 2.87Å; F141-P272 HydrophobicContact CD2-CG 4.36Å; F141-P272 HydrophobicContact CE2-CG 4.01Å; F141-I309 HydrophobicContact CE2-CD1 3.99Å; F141-I309 HydrophobicContact CZ-CD1 3.89Å; F141-Q310 WeakPolarHBondContact CD2-O 3.27Å; F141-Q310 VanDerWaalsContact CE2-O 3.22Å; F141-Q310 WeakPolarHBondContact CE2-O 3.1Å; F141-Y311 HydrophobicContact CD2-CD1 4.18Å; F141-Y311 AromaticContact CE2-CD1 3.48Å; F141-Y311 HydrophobicContact CE2-CD1 3.48Å; F141-Y311 VanDerWaalsContact CE2-CD1 3.48Å; F141-Y311 AromaticContact CE2-CE1 3.84Å; F141-Y311 HydrophobicContact CE2-CE1 3.84Å; F141-Y311 HydrophobicContact CE2-CG 4.34Å; F141-Y311 AromaticContact CZ-CD1 3.75Å; F141-Y311 HydrophobicContact CZ-CD1 3.75Å; F141-Y311 AromaticContact CZ-CE1 3.76Å; F141-Y311 HydrophobicContact CZ-CE1 3.76Å; F141-P313 WeakPolarHBondContact O-CA 3.36Å; F141-R314 PolarHBondContact O-N 3.45Å
142R96.5Very high97.1Very high11 Ų1117.9 Ų17.94%0.04210%0.095CC..PPolyproline II helixtrans-73.5165.6169.571.2-179.758.4-13916.2110.1E146 I147 F150 L251 F252 F253 F254 N255R142-E146 WeakPolarHBondContact CD-OE2 3.46Å; R142-E146 HydrophobicContact CG-CB 4.03Å; R142-E146 IonicContact CZ-OE2 2.67Å; R142-E146 IonicContact NH1-OE2 2.93Å; R142-E146 PolarHBondContact NH1-OE2 3.15Å; R142-I147 HydrophobicContact CG-CD1 4.08Å; R142-I147 HydrophobicContact CG-CG1 3.42Å; R142-I147 VanDerWaalsContact CG-CG1 3.42Å; R142-I147 WeakPolarHBondContact O-CD1 3.36Å; R142-F150 VanDerWaalsContact NH1-CE2 3.29Å; R142-L251 PolarHBondContact NH2-O 3.03Å; R142-F252 WeakPolarHBondContact CD-O 3.45Å; R142-F253 WeakPolarHBondContact CG-O 3.16Å; R142-F253 PolarHBondContact N-O 3.25Å; R142-F254 PolarHBondContact NE-O 3.2Å; R142-F254 PolarHBondContact NH2-O 3.22Å; R142-N255 PolarHBondContact N-ND2 2.87Å
143P93.9Very high97Very high6 Ų620.3 Ų20.34%0.03911%0.105CC..PPolyproline II helixtrans-51.3138.7177.2-27.436.1000112.4E145 E146 I147 W315P143-E145 HydrophobicContact CB-CG 3.93Å; P143-E145 WeakPolarHBondContact CB-OE2 3.5Å; P143-E145 PolarHBondContact O-N 3.4Å; P143-E146 HydrophobicContact CB-CG 4.39Å; P143-E146 WeakPolarHBondContact O-CB 3.39Å; P143-E146 PolarHBondContact O-N 3.15Å; P143-I147 PolarHBondContact O-N 3.29Å; P143-W315 HydrophobicContact CB-CH2 4.36Å; P143-W315 HydrophobicContact CB-CZ2 4.38Å; P143-W315 HydrophobicContact CG-CD2 3.75Å; P143-W315 HydrophobicContact CG-CE3 3.7Å; P143-W315 HydrophobicContact CG-CG 4.47Å; P143-W315 HydrophobicContact CG-CH2 3.78Å; P143-W315 HydrophobicContact CG-CZ2 3.82Å; P143-W315 HydrophobicContact CG-CZ3 3.72Å
144P94.5Very high97Very high6 Ų618.9 Ų18.94%0.03910%0.097CC..Hα-helixtrans-61-31.4-171.429.1-39.6000112.4E146 I147 G148 L169 I172 T180 V184P144-E146 VanDerWaalsContact C-N 3.3Å; P144-E146 PolarHBondContact O-N 3.17Å; P144-I147 PolarHBondContact O-N 3.28Å; P144-G148 PolarHBondContact O-N 2.81Å; P144-L169 HydrophobicContact CB-CD2 3.88Å; P144-I172 HydrophobicContact CB-CD1 3.54Å; P144-I172 HydrophobicContact CG-CD1 3.7Å; P144-T180 HydrophobicContact CB-CG2 4.45Å; P144-T180 HydrophobicContact CG-CG2 3.78Å; P144-V184 HydrophobicContact CB-CG2 3.9Å
145E91.8Very high97Very high33 Ų3318 Ų1815%0.1549%0.091CC..Hα-helixtrans-58.3-38.6173.353-107.4-11200113.6P143 G148 A149 F221 K222P143-E145 HydrophobicContact CB-CG 3.93Å; P143-E145 WeakPolarHBondContact CB-OE2 3.5Å; P143-E145 PolarHBondContact O-N 3.4Å; E145-G148 PolarHBondContact O-N 3.33Å; E145-A149 WeakPolarHBondContact O-CB 3.17Å; E145-A149 PolarHBondContact O-N 2.82Å; E145-F221 HydrophobicContact CB-CE1 3.57Å; E145-F221 HydrophobicContact CB-CE2 4.3Å; E145-F221 HydrophobicContact CB-CZ 3.41Å; E145-F221 VanDerWaalsContact CB-CZ 3.41Å; E145-F221 HydrophobicContact CG-CD1 4.38Å; E145-F221 HydrophobicContact CG-CE1 3.52Å; E145-F221 HydrophobicContact CG-CZ 3.94Å; E145-K222 IonicContact OE1-NZ 3.59Å; E145-K222 PolarHBondContact OE1-NZ 2.96Å
146E94.8Very high97Very high14 Ų1418.9 Ų18.97%0.06510%0.095CC..Hα-helixtrans-69.5-45177.8-61.9-168.6177.500109.7R142 P143 P144 G148 A149 F150 Y224 L226R142-E146 WeakPolarHBondContact CD-OE2 3.46Å; R142-E146 HydrophobicContact CG-CB 4.03Å; R142-E146 IonicContact CZ-OE2 2.67Å; R142-E146 IonicContact NH1-OE2 2.93Å; R142-E146 PolarHBondContact NH1-OE2 3.15Å; P143-E146 HydrophobicContact CB-CG 4.39Å; P143-E146 WeakPolarHBondContact O-CB 3.39Å; P143-E146 PolarHBondContact O-N 3.15Å; P144-E146 VanDerWaalsContact C-N 3.3Å; P144-E146 PolarHBondContact O-N 3.17Å; E146-G148 VanDerWaalsContact C-N 3.3Å; E146-G148 PolarHBondContact O-N 3.5Å; E146-A149 WeakPolarHBondContact O-CB 3.34Å; E146-A149 PolarHBondContact O-N 3.34Å; E146-A149 VanDerWaalsContact O-N 3.15Å; E146-F150 HydrophobicContact CB-CE2 4.23Å; E146-F150 WeakPolarHBondContact O-CD2 3.32Å; E146-F150 PolarHBondContact O-N 3Å; E146-Y224 WeakPolarHBondContact CG-OH 3.29Å; E146-Y224 VanDerWaalsContact OE1-CE2 3.28Å; E146-Y224 WeakPolarHBondContact OE1-CE2 3.25Å; E146-Y224 PolarHBondContact OE1-OH 2.88Å; E146-L226 HydrophobicContact CB-CD1 4.42Å; E146-L226 HydrophobicContact CB-CD2 4.33Å; E146-L226 VanDerWaalsContact CD-CD2 3.42Å; E146-L226 HydrophobicContact CG-CD2 3.84Å
147I96.7Very high97Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-58.2-47176.2-52.7-179.6000109.7F141 R142 P143 P144 A149 F150 A151 L169 V184 F253F141-I147 HydrophobicContact CD1-CD1 4.32Å; R142-I147 HydrophobicContact CG-CD1 4.08Å; R142-I147 HydrophobicContact CG-CG1 3.42Å; R142-I147 VanDerWaalsContact CG-CG1 3.42Å; R142-I147 WeakPolarHBondContact O-CD1 3.36Å; P143-I147 PolarHBondContact O-N 3.29Å; P144-I147 PolarHBondContact O-N 3.28Å; I147-A149 VanDerWaalsContact C-N 3.33Å; I147-A149 PolarHBondContact O-N 2.88Å; I147-F150 PolarHBondContact O-N 3.46Å; I147-A151 VanDerWaalsContact O-CB 3.29Å; I147-A151 WeakPolarHBondContact O-CB 3.3Å; I147-A151 PolarHBondContact O-N 2.89Å; I147-L169 HydrophobicContact CB-CD1 4.17Å; I147-L169 HydrophobicContact CB-CD2 4.49Å; I147-L169 HydrophobicContact CG2-CD1 3.68Å; I147-V184 HydrophobicContact CD1-CG1 4.21Å; I147-V184 HydrophobicContact CD1-CG2 4.3Å; I147-F253 HydrophobicContact CD1-CD1 4.04Å; I147-F253 HydrophobicContact CG2-CD1 3.59Å; I147-F253 HydrophobicContact CG2-CD2 4.48Å; I147-F253 HydrophobicContact CG2-CE1 3.51Å; I147-F253 HydrophobicContact CG2-CE2 4.4Å; I147-F253 HydrophobicContact CG2-CG 4.09Å; I147-F253 HydrophobicContact CG2-CZ 3.93Å
148G96Very high97Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-61.6-39.4176.600000112.5P144 E145 E146 A151 K152P144-G148 PolarHBondContact O-N 2.81Å; E145-G148 PolarHBondContact O-N 3.33Å; E146-G148 VanDerWaalsContact C-N 3.3Å; E146-G148 PolarHBondContact O-N 3.5Å; G148-A151 PolarHBondContact O-N 3.25Å; G148-K152 VanDerWaalsContact O-CB 3.25Å; G148-K152 WeakPolarHBondContact O-CB 3.49Å; G148-K152 PolarHBondContact O-N 3.15Å
149A95.7Very high97Very high5 Ų523.2 Ų23.24%0.04113%0.126CC..Hα-helixtrans-65.3-46.5175.900000111.6E145 E146 I147 K152 H153 I218E145-A149 WeakPolarHBondContact O-CB 3.17Å; E145-A149 PolarHBondContact O-N 2.82Å; E146-A149 WeakPolarHBondContact O-CB 3.34Å; E146-A149 PolarHBondContact O-N 3.34Å; E146-A149 VanDerWaalsContact O-N 3.15Å; I147-A149 VanDerWaalsContact C-N 3.33Å; I147-A149 PolarHBondContact O-N 2.88Å; A149-K152 PolarHBondContact O-N 3.26Å; A149-H153 WeakPolarHBondContact O-CB 3.48Å; A149-H153 PolarHBondContact O-CD2 2.74Å; A149-H153 VanDerWaalsContact O-CD2 3.25Å; A149-H153 PolarHBondContact O-N 3.43Å; A149-I218 HydrophobicContact CB-CG2 4.01Å
150F97.8Very high97Very high0 Ų023.2 Ų23.20%013%0.126CC..Hα-helixtrans-59.3-48.8172.6-70.3-63.4000111.3R142 E146 I147 K152 H153 I154 L157 I218 L226 T228 L231 F252R142-F150 VanDerWaalsContact NH1-CE2 3.29Å; E146-F150 HydrophobicContact CB-CE2 4.23Å; E146-F150 WeakPolarHBondContact O-CD2 3.32Å; E146-F150 PolarHBondContact O-N 3Å; I147-F150 PolarHBondContact O-N 3.46Å; F150-K152 PolarHBondContact O-N 3.32Å; F150-H153 PolarHBondContact O-N 3.48Å; F150-I154 HydrophobicContact CB-CD1 4.11Å; F150-I154 HydrophobicContact CD1-CD1 3.95Å; F150-I154 HydrophobicContact CG-CD1 4.47Å; F150-I154 VanDerWaalsContact O-CB 3.26Å; F150-I154 WeakPolarHBondContact O-CB 3.26Å; F150-I154 WeakPolarHBondContact O-CG1 3.28Å; F150-I154 PolarHBondContact O-N 3.43Å; F150-L157 HydrophobicContact CB-CD2 4.2Å; F150-I218 HydrophobicContact CD1-CD1 3.36Å; F150-I218 HydrophobicContact CE1-CD1 3.55Å; F150-I218 HydrophobicContact CG-CD1 4.09Å; F150-I218 HydrophobicContact CZ-CD1 4.4Å; F150-L226 HydrophobicContact CE1-CD1 4.32Å; F150-L226 HydrophobicContact CE2-CD1 3.96Å; F150-L226 HydrophobicContact CZ-CB 4.25Å; F150-L226 HydrophobicContact CZ-CD1 3.76Å; F150-L226 HydrophobicContact CZ-CD2 4.36Å; F150-L226 HydrophobicContact CZ-CG 4.35Å; F150-T228 HydrophobicContact CE1-CG2 4.33Å; F150-L231 HydrophobicContact CE1-CD1 3.69Å; F150-L231 HydrophobicContact CE2-CD1 4.36Å; F150-L231 HydrophobicContact CZ-CD1 3.36Å; F150-F252 HydrophobicContact CB-CB 3.87Å; F150-F252 HydrophobicContact CB-CD1 4.4Å; F150-F252 HydrophobicContact CB-CG 4.32Å; F150-F252 AromaticContact CD1-CD1 3.67Å; F150-F252 HydrophobicContact CD1-CD1 3.67Å; F150-F252 HydrophobicContact CD1-CE1 4.32Å; F150-F252 HydrophobicContact CD1-CG 4.4Å; F150-F252 HydrophobicContact CD2-CB 4.16Å; F150-F252 HydrophobicContact CD2-CD1 4.49Å; F150-F252 HydrophobicContact CE1-CD1 4.05Å; F150-F252 HydrophobicContact CG-CB 3.95Å; F150-F252 AromaticContact CG-CD1 3.94Å; F150-F252 HydrophobicContact CG-CD1 3.94Å; F150-F252 HydrophobicContact CG-CG 4.28Å
151A98Very high96.9Very high0 Ų023.1 Ų23.10%013%0.125CC..Hα-helixtrans-62.2-29.8179.700000112.9I147 G148 L157 H158 T166I147-A151 VanDerWaalsContact O-CB 3.29Å; I147-A151 WeakPolarHBondContact O-CB 3.3Å; I147-A151 PolarHBondContact O-N 2.89Å; G148-A151 PolarHBondContact O-N 3.25Å; A151-L157 HydrophobicContact CB-CD2 4.27Å; A151-L157 HydrophobicContact CB-CG 4.38Å; A151-H158 VanDerWaalsContact O-CA 3.3Å; A151-H158 WeakPolarHBondContact O-CA 3.5Å; A151-H158 WeakPolarHBondContact O-CB 3.36Å; A151-H158 PolarHBondContact O-ND1 3.41Å; A151-T166 HydrophobicContact CB-CG2 4.17Å
152K97.2Very high96.9Very high122 Ų12223.9 Ų23.953%0.5313%0.133SC..Hα-helixtrans-78.2-39.3175.8179.6176177.3179.30113G148 A149 F150 T166 L170G148-K152 VanDerWaalsContact O-CB 3.25Å; G148-K152 WeakPolarHBondContact O-CB 3.49Å; G148-K152 PolarHBondContact O-N 3.15Å; A149-K152 PolarHBondContact O-N 3.26Å; F150-K152 PolarHBondContact O-N 3.32Å; K152-T166 HydrophobicContact CB-CG2 3.85Å; K152-L170 HydrophobicContact CB-CD1 4.23Å; K152-L170 HydrophobicContact CD-CD1 3.76Å
153H97.3Very high96.9Very high64 Ų6426.8 Ų26.830%0.29615%0.154SC..Hα-helixtrans-101.5-7.6-169-72-73.4000114.4A149 F150 P155 I218 P219A149-H153 WeakPolarHBondContact O-CB 3.48Å; A149-H153 PolarHBondContact O-CD2 2.74Å; A149-H153 VanDerWaalsContact O-CD2 3.25Å; A149-H153 PolarHBondContact O-N 3.43Å; F150-H153 PolarHBondContact O-N 3.48Å; H153-P155 WeakPolarHBondContact O-CD 3.08Å; H153-I218 HydrophobicContact CB-CD1 4.48Å; H153-I218 HydrophobicContact CB-CG1 3.8Å; H153-P219 VanDerWaalsContact CE1-CD 3.48Å; H153-P219 WeakPolarHBondContact CE1-CD 3.46Å
154I98.4Very high97.1Very high0 Ų032.5 Ų32.50%018%0.184CC..  trans-105.799.5169.9-58175.6000107.6F150 E156 L157 H158 L206 I216 F252F150-I154 HydrophobicContact CB-CD1 4.11Å; F150-I154 HydrophobicContact CD1-CD1 3.95Å; F150-I154 HydrophobicContact CG-CD1 4.47Å; F150-I154 VanDerWaalsContact O-CB 3.26Å; F150-I154 WeakPolarHBondContact O-CB 3.26Å; F150-I154 WeakPolarHBondContact O-CG1 3.28Å; F150-I154 PolarHBondContact O-N 3.43Å; I154-E156 WeakPolarHBondContact CG2-OE2 3.42Å; I154-E156 PolarHBondContact O-N 3.21Å; I154-E156 VanDerWaalsContact O-N 3.17Å; I154-L157 HydrophobicContact CB-CB 3.98Å; I154-L157 HydrophobicContact CG2-CB 3.84Å; I154-L157 PolarHBondContact O-N 2.97Å; I154-L157 VanDerWaalsContact O-N 3.09Å; I154-H158 PolarHBondContact O-N 3.01Å; I154-L206 HydrophobicContact CG2-CD1 4.1Å; I154-L206 HydrophobicContact CG2-CD2 3.67Å; I154-I216 HydrophobicContact CD1-CD1 3.88Å; I154-I216 HydrophobicContact CD1-CG1 4.46Å; I154-I216 HydrophobicContact CD1-CG2 4.21Å; I154-I216 HydrophobicContact CG1-CD1 4.33Å; I154-I216 HydrophobicContact CG1-CG1 4.38Å; I154-I216 HydrophobicContact CG1-CG2 3.92Å; I154-F252 HydrophobicContact CD1-CD1 3.73Å; I154-F252 HydrophobicContact CD1-CD2 3.97Å; I154-F252 HydrophobicContact CD1-CE1 3.58Å; I154-F252 HydrophobicContact CD1-CE2 3.81Å; I154-F252 HydrophobicContact CD1-CG 3.93Å; I154-F252 HydrophobicContact CD1-CZ 3.62Å
155P98.5Very high97.2Very high80 Ų8036 Ų3652%0.51920%0.198SC..Hα-helixtrans-55.9-34.4-176-27.736.6000114.1H153 H158 A159H153-P155 WeakPolarHBondContact O-CD 3.08Å; P155-H158 WeakPolarHBondContact O-CB 3.1Å; P155-H158 PolarHBondContact O-N 2.96Å; P155-A159 WeakPolarHBondContact O-CB 3.4Å; P155-A159 PolarHBondContact O-N 3.35Å
156E98.7Very high97.5Very high19 Ų1934.5 Ų34.59%0.08919%0.191CC..Hα-helixtrans-68.7-39.6179.4-58.187.7164.400112I154 L202 A205 L206 R209 F249I154-E156 WeakPolarHBondContact CG2-OE2 3.42Å; I154-E156 PolarHBondContact O-N 3.21Å; I154-E156 VanDerWaalsContact O-N 3.17Å; E156-L202 HydrophobicContact CB-CB 4.25Å; E156-L202 HydrophobicContact CB-CD2 4.26Å; E156-L202 HydrophobicContact CG-CD2 4.49Å; E156-A205 HydrophobicContact CG-CB 4.11Å; E156-L206 HydrophobicContact CB-CB 4.09Å; E156-L206 HydrophobicContact CG-CB 3.88Å; E156-R209 IonicContact OE1-CZ 2.74Å; E156-R209 IonicContact OE1-NE 3.4Å; E156-R209 PolarHBondContact OE1-NE 3.19Å; E156-R209 IonicContact OE1-NH2 3.64Å; E156-R209 IonicContact OE2-CZ 2.82Å; E156-R209 IonicContact OE2-NE 2.72Å; E156-R209 IonicContact OE2-NH2 2.72Å; E156-R209 PolarHBondContact OE2-NH2 3.12Å; E156-F249 HydrophobicContact CB-CE1 4.36Å; E156-F249 HydrophobicContact CB-CZ 4.05Å
157L98.7Very high97.5Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-70.5-41.8173179.458.7000110.5F150 A151 I154 A159 I160 I161 F249 F252 F253F150-L157 HydrophobicContact CB-CD2 4.2Å; A151-L157 HydrophobicContact CB-CD2 4.27Å; A151-L157 HydrophobicContact CB-CG 4.38Å; I154-L157 HydrophobicContact CB-CB 3.98Å; I154-L157 HydrophobicContact CG2-CB 3.84Å; I154-L157 PolarHBondContact O-N 2.97Å; I154-L157 VanDerWaalsContact O-N 3.09Å; L157-A159 VanDerWaalsContact C-N 3.26Å; L157-A159 PolarHBondContact O-N 3.16Å; L157-I160 PolarHBondContact O-N 3.06Å; L157-I160 VanDerWaalsContact O-N 3.08Å; L157-I161 HydrophobicContact CD1-CD1 4.33Å; L157-I161 HydrophobicContact CD1-CG1 3.76Å; L157-I161 HydrophobicContact CG-CG1 4.13Å; L157-I161 WeakPolarHBondContact O-CG1 3.35Å; L157-I161 PolarHBondContact O-N 3.05Å; L157-F249 HydrophobicContact CB-CD1 4.15Å; L157-F249 HydrophobicContact CB-CE1 4.11Å; L157-F249 HydrophobicContact CD1-CB 4.19Å; L157-F249 HydrophobicContact CD1-CD1 3.94Å; L157-F249 HydrophobicContact CD1-CG 4.16Å; L157-F252 HydrophobicContact CD2-CB 3.87Å; L157-F252 HydrophobicContact CD2-CD2 4.09Å; L157-F252 HydrophobicContact CD2-CG 4.25Å; L157-F253 HydrophobicContact CD1-CE2 4.08Å
158H98.5Very high97.4Very high60 Ų6039.1 Ų39.128%0.27822%0.224SC..Hα-helixtrans-56.7-41176.5-163.362.8000112.1A151 I154 P155 I160 I161 G162 T166A151-H158 VanDerWaalsContact O-CA 3.3Å; A151-H158 WeakPolarHBondContact O-CA 3.5Å; A151-H158 WeakPolarHBondContact O-CB 3.36Å; A151-H158 PolarHBondContact O-ND1 3.41Å; I154-H158 PolarHBondContact O-N 3.01Å; P155-H158 WeakPolarHBondContact O-CB 3.1Å; P155-H158 PolarHBondContact O-N 2.96Å; H158-I160 PolarHBondContact O-N 3.05Å; H158-I161 PolarHBondContact O-N 3.48Å; H158-G162 WeakPolarHBondContact O-CA 3.37Å; H158-G162 PolarHBondContact O-N 2.95Å; H158-T166 PolarHBondContact CE1-OG1 2.88Å; H158-T166 PolarHBondContact ND1-OG1 3.24Å
159A98.5Very high97.3Very high62 Ų6239.2 Ų39.251%0.51223%0.225SC..Hα-helixtrans-62.3-26.6179.200000113.1P155 L157 L202P155-A159 WeakPolarHBondContact O-CB 3.4Å; P155-A159 PolarHBondContact O-N 3.35Å; L157-A159 VanDerWaalsContact C-N 3.26Å; L157-A159 PolarHBondContact O-N 3.16Å; A159-L202 HydrophobicContact CB-CD1 3.97Å; A159-L202 HydrophobicContact CB-CD2 4.24Å
160I98.3Very high97.2Very high1 Ų141.1 Ų41.11%0.00523%0.234CC..Hα-helixtrans-83.4-54.9175.5-58.8172.8000110.3L157 H158 R190 L191 A194 V199 L202 F249L157-I160 PolarHBondContact O-N 3.06Å; L157-I160 VanDerWaalsContact O-N 3.08Å; H158-I160 PolarHBondContact O-N 3.05Å; I160-R190 PolarHBondContact O-NE 3.26Å; I160-R190 PolarHBondContact O-NH2 3.06Å; I160-R190 VanDerWaalsContact O-NH2 3.13Å; I160-L191 HydrophobicContact CD1-CD1 4.05Å; I160-L191 HydrophobicContact CG2-CD1 3.94Å; I160-A194 HydrophobicContact CG2-CB 3.65Å; I160-V199 HydrophobicContact CD1-CG2 4.24Å; I160-L202 HydrophobicContact CD1-CB 4.35Å; I160-L202 HydrophobicContact CD1-CD1 3.95Å; I160-L202 HydrophobicContact CG1-CD1 3.38Å; I160-F249 HydrophobicContact CD1-CD2 3.56Å; I160-F249 HydrophobicContact CD1-CE2 3.38Å; I160-F249 HydrophobicContact CD1-CG 4.42Å; I160-F249 HydrophobicContact CD1-CZ 4.13Å
161I97.4Very high96.7Very high1 Ų145.5 Ų45.51%0.00526%0.257CS..Hα-helixtrans-69.6-42.8-171.6-60.4-57.5000111L157 H158 F165 A187 L191 F253L157-I161 HydrophobicContact CD1-CD1 4.33Å; L157-I161 HydrophobicContact CD1-CG1 3.76Å; L157-I161 HydrophobicContact CG-CG1 4.13Å; L157-I161 WeakPolarHBondContact O-CG1 3.35Å; L157-I161 PolarHBondContact O-N 3.05Å; H158-I161 PolarHBondContact O-N 3.48Å; I161-F165 HydrophobicContact CG2-CB 3.49Å; I161-F165 VanDerWaalsContact CG2-CB 3.49Å; I161-F165 HydrophobicContact CG2-CG 4.47Å; I161-F165 WeakPolarHBondContact O-CD2 3.12Å; I161-A187 WeakPolarHBondContact CD1-O 3.34Å; I161-A187 HydrophobicContact CG2-CB 4.4Å; I161-L191 HydrophobicContact CD1-CB 3.84Å; I161-F253 HydrophobicContact CD1-CE2 4.18Å; I161-F253 HydrophobicContact CD1-CZ 3.63Å; I161-F253 HydrophobicContact CG1-CZ 4.26Å
162G97.8Very high96.1Very high17 Ų1747.1 Ų47.118%0.17527%0.265CS..  trans84.3166.1-178.300000113.8H158 D164 T166H158-G162 WeakPolarHBondContact O-CA 3.37Å; H158-G162 PolarHBondContact O-N 2.95Å; G162-D164 PolarHBondContact O-N 3.48Å; G162-T166 WeakPolarHBondContact O-CB 3.37Å; G162-T166 PolarHBondContact O-N 3.48Å; G162-T166 VanDerWaalsContact O-N 3.15Å; G162-T166 PolarHBondContact O-OG1 3.32Å
163P97.3Very high94.8Very high73 Ų7349.6 Ų49.647%0.47428%0.277SS..Hα-helixtrans-65.7-39.2-174.225.4-34.3000112.9T166 N167P163-T166 PolarHBondContact O-N 3.25Å; P163-N167 VanDerWaalsContact O-CB 3.31Å; P163-N167 WeakPolarHBondContact O-CB 3.08Å; P163-N167 PolarHBondContact O-N 3.47Å; P163-N167 PolarHBondContact O-ND2 3.42Å
164D97.2Very high93.2Very high126 Ų12650.1 Ų50.167%0.67428%0.284SS*.Hα-helixtrans-64.1-48.7-175-63.3-23.2000111.9G162 N167 G168G162-D164 PolarHBondContact O-N 3.48Å; D164-N167 PolarHBondContact O-N 3.35Å; D164-G168 PolarHBondContact O-N 2.9Å
165F97.4Very high91.8Very high78 Ų7857.1 Ų57.134%0.34233%0.327SS..Hα-helixtrans-68.8-37.4177.3-62.1-85.7000111.6I161 G168 L169 A186 A187 R190I161-F165 HydrophobicContact CG2-CB 3.49Å; I161-F165 VanDerWaalsContact CG2-CB 3.49Å; I161-F165 HydrophobicContact CG2-CG 4.47Å; I161-F165 WeakPolarHBondContact O-CD2 3.12Å; F165-G168 PolarHBondContact O-N 3.08Å; F165-L169 WeakPolarHBondContact O-CG 3.46Å; F165-L169 PolarHBondContact O-N 3.37Å; F165-A186 HydrophobicContact CD1-CB 3.91Å; F165-A186 HydrophobicContact CE1-CB 3.81Å; F165-A187 HydrophobicContact CB-CB 4.25Å; F165-R190 HydrophobicContact CD2-CG 4.23Å; F165-R190 HydrophobicContact CE1-CB 4.41Å; F165-R190 HydrophobicContact CE2-CB 4.3Å; F165-R190 HydrophobicContact CE2-CG 4.05Å; F165-R190 HydrophobicContact CZ-CB 4.24Å; F165-R190 HydrophobicContact CZ-CG 4.45Å
166T97.3Very high91Very high2 Ų256.9 Ų56.91%0.01232%0.321CS..Hα-helixtrans-60.6-47.5174.6-590000111A151 K152 H158 G162 P163 L169 L170A151-T166 HydrophobicContact CB-CG2 4.17Å; K152-T166 HydrophobicContact CB-CG2 3.85Å; H158-T166 PolarHBondContact CE1-OG1 2.88Å; H158-T166 PolarHBondContact ND1-OG1 3.24Å; G162-T166 WeakPolarHBondContact O-CB 3.37Å; G162-T166 PolarHBondContact O-N 3.48Å; G162-T166 VanDerWaalsContact O-N 3.15Å; G162-T166 PolarHBondContact O-OG1 3.32Å; P163-T166 PolarHBondContact O-N 3.25Å; T166-L169 PolarHBondContact O-N 3.43Å; T166-L170 HydrophobicContact CG2-CD1 4.04Å; T166-L170 WeakPolarHBondContact O-CG 3.25Å; T166-L170 PolarHBondContact O-N 2.95Å; T166-L170 VanDerWaalsContact O-N 3.09Å
167N94.9Very high90.3Very high81 Ų8162.2 Ų62.243%0.43334%0.344SS..Hα-helixtrans-66.9-37.7177.4-70.5-27.7000111.7P163 D164 L169 L170 N171P163-N167 VanDerWaalsContact O-CB 3.31Å; P163-N167 WeakPolarHBondContact O-CB 3.08Å; P163-N167 PolarHBondContact O-N 3.47Å; P163-N167 PolarHBondContact O-ND2 3.42Å; D164-N167 PolarHBondContact O-N 3.35Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 3.38Å; N167-L170 PolarHBondContact O-N 2.94Å; N167-N171 VanDerWaalsContact O-CB 3.24Å; N167-N171 WeakPolarHBondContact O-CB 3.2Å; N167-N171 VanDerWaalsContact O-CG 3.29Å; N167-N171 PolarHBondContact O-N 2.77Å; N167-N171 PolarHBondContact O-ND2 3.45Å
168G93.8Very high89.9Confident31 Ų3167.5 Ų67.532%0.3238%0.376SS..Hα-helixtrans-61.7-3117500000113.6D164 F165 I172D164-G168 PolarHBondContact O-N 2.9Å; F165-G168 PolarHBondContact O-N 3.08Å; G168-I172 VanDerWaalsContact O-CG1 3.3Å; G168-I172 WeakPolarHBondContact O-CG1 3.27Å
169L94.7Very high89.4Confident2 Ų268.2 Ų68.21%0.0138%0.382CS..Hα-helixtrans-77.5-39.2173.1-71.8166.5000112.5P144 I147 F165 T166 N167 V184 A187P144-L169 HydrophobicContact CB-CD2 3.88Å; I147-L169 HydrophobicContact CB-CD1 4.17Å; I147-L169 HydrophobicContact CB-CD2 4.49Å; I147-L169 HydrophobicContact CG2-CD1 3.68Å; F165-L169 WeakPolarHBondContact O-CG 3.46Å; F165-L169 PolarHBondContact O-N 3.37Å; T166-L169 PolarHBondContact O-N 3.43Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 3.38Å; L169-V184 HydrophobicContact CD2-CG2 4.01Å; L169-A187 HydrophobicContact CD1-CB 3.74Å; L169-A187 HydrophobicContact CD2-CB 4.45Å; L169-A187 HydrophobicContact CG-CB 4.27Å
170L92.8Very high89.1Confident45 Ų4566.1 Ų66.124%0.23636%0.363CS..Hα-helixtrans-76.4-28.2-177.7-70.1172.4000113.8K152 T166 N167K152-L170 HydrophobicContact CB-CD1 4.23Å; K152-L170 HydrophobicContact CD-CD1 3.76Å; T166-L170 HydrophobicContact CG2-CD1 4.04Å; T166-L170 WeakPolarHBondContact O-CG 3.25Å; T166-L170 PolarHBondContact O-N 2.95Å; T166-L170 VanDerWaalsContact O-N 3.09Å; N167-L170 PolarHBondContact O-N 2.94Å
171N89.1Confident89Confident92 Ų9267.3 Ų67.349%0.49237%0.371SS..THydrogen-bonded Turntrans-96.921-174.2-65.9-28.4000113.5N167 F173N167-N171 VanDerWaalsContact O-CB 3.24Å; N167-N171 WeakPolarHBondContact O-CB 3.2Å; N167-N171 VanDerWaalsContact O-CG 3.29Å; N167-N171 PolarHBondContact O-N 2.77Å; N167-N171 PolarHBondContact O-ND2 3.45Å; N171-F173 HydrophobicContact CB-CD2 4.45Å; N171-F173 HydrophobicContact CB-CE2 3.78Å; N171-F173 HydrophobicContact CB-CZ 4.37Å; N171-F173 WeakPolarHBondContact O-CD2 3.37Å; N171-F173 WeakPolarHBondContact O-CE2 3.19Å; N171-F173 PolarHBondContact O-N 2.96Å
172I83.6Confident88.9Confident33 Ų3370 Ų7017%0.16939%0.39CS..  trans-78.590.3171.9-64.3159000107.7P144 G168 T180P144-I172 HydrophobicContact CB-CD1 3.54Å; P144-I172 HydrophobicContact CG-CD1 3.7Å; G168-I172 VanDerWaalsContact O-CG1 3.3Å; G168-I172 WeakPolarHBondContact O-CG1 3.27Å; I172-T180 WeakPolarHBondContact CG2-OG1 3.35Å
173F70.6Confident88.8Confident175 Ų17570.3 Ų70.377%0.76839%0.389SS*.  trans-89-14.3177.4-60.6-72.5000113.1N171N171-F173 HydrophobicContact CB-CD2 4.45Å; N171-F173 HydrophobicContact CB-CE2 3.78Å; N171-F173 HydrophobicContact CB-CZ 4.37Å; N171-F173 WeakPolarHBondContact O-CD2 3.37Å; N171-F173 WeakPolarHBondContact O-CE2 3.19Å; N171-F173 PolarHBondContact O-N 2.96Å
174T64.2Low88.8Confident75 Ų7566.8 Ų66.846%0.4637%0.367SS..SBendtrans-99.6150.1-169.158.10000111D176T174-D176 PolarHBondContact O-N 3.2Å
175V68.8Low88.8Confident146 Ų14665 Ų6589%0.88535%0.353SS*.  trans-72.713.9170-161.20000111.1K177V175-K177 PolarHBondContact O-N 3.38Å
176D81.8Confident88.8Confident75 Ų7563.1 Ų63.140%0.40135%0.352SS..  trans-76.2100.4-179.2-173.4-10000110.2T174 T178 L179 T180T174-D176 PolarHBondContact O-N 3.2Å; D176-T178 PolarHBondContact O-N 2.8Å; D176-T178 WeakPolarHBondContact OD1-CA 3.38Å; D176-T178 VanDerWaalsContact OD1-CB 3.26Å; D176-T178 WeakPolarHBondContact OD1-CB 3.38Å; D176-T178 PolarHBondContact OD1-N 3.49Å; D176-T178 PolarHBondContact OD1-OG1 3.31Å; D176-L179 HydrophobicContact CB-CB 4.04Å; D176-L179 PolarHBondContact O-N 3.06Å; D176-L179 PolarHBondContact OD1-N 2.98Å; D176-T180 WeakPolarHBondContact O-CB 3.34Å; D176-T180 PolarHBondContact O-N 2.93Å; D176-T180 PolarHBondContact O-OG1 2.92Å
177K85Confident88.9Confident132 Ų13263 Ų6357%0.57435%0.351SS*.Hα-helixtrans-58.1-33.9175.8-68.5-176.1166.1-150.70113.1V175 T180 S181 E312V175-K177 PolarHBondContact O-N 3.38Å; K177-T180 PolarHBondContact O-N 3.41Å; K177-S181 WeakPolarHBondContact O-CB 3.38Å; K177-S181 PolarHBondContact O-N 2.89Å; K177-S181 PolarHBondContact O-OG 3.24Å; K177-E312 WeakPolarHBondContact CD-OE1 3.45Å; K177-E312 WeakPolarHBondContact CE-OE1 3.33Å; K177-E312 WeakPolarHBondContact CG-OE1 3.48Å; K177-E312 IonicContact NZ-OE1 3.6Å; K177-E312 PolarHBondContact NZ-OE1 2.86Å
178T88.5Confident89Confident110 Ų11059.2 Ų59.268%0.67533%0.331SS*.Hα-helixtrans-69.4-49.4-178.6-48.30000110.2D176 T180 S181 S182D176-T178 PolarHBondContact O-N 2.8Å; D176-T178 WeakPolarHBondContact OD1-CA 3.38Å; D176-T178 VanDerWaalsContact OD1-CB 3.26Å; D176-T178 WeakPolarHBondContact OD1-CB 3.38Å; D176-T178 PolarHBondContact OD1-N 3.49Å; D176-T178 PolarHBondContact OD1-OG1 3.31Å; T178-T180 VanDerWaalsContact C-N 3.3Å; T178-T180 PolarHBondContact O-N 3.1Å; T178-S181 PolarHBondContact O-N 2.7Å; T178-S182 WeakPolarHBondContact O-CB 3.42Å; T178-S182 PolarHBondContact O-N 3.14Å; T178-S182 PolarHBondContact O-OG 3.5Å
179L89.5Confident89.3Confident76 Ų7659 Ų5940%0.39832%0.324SS..Hα-helixtrans-59.2-46175.4-179.762000110.5D176 S182 S183D176-L179 HydrophobicContact CB-CB 4.04Å; D176-L179 PolarHBondContact O-N 3.06Å; D176-L179 PolarHBondContact OD1-N 2.98Å; L179-S182 PolarHBondContact O-N 2.7Å; L179-S182 PolarHBondContact O-OG 3.18Å; L179-S183 PolarHBondContact O-N 2.67Å; L179-S183 PolarHBondContact O-OG 3.21Å
180T92.1Very high89.4Confident18 Ų1863.8 Ų63.811%0.1134%0.342CS..Hα-helixtrans-55.9-54.7178.3-61.70000112.2P144 I172 D176 K177 T178 S182 S183 V184 P313P144-T180 HydrophobicContact CB-CG2 4.45Å; P144-T180 HydrophobicContact CG-CG2 3.78Å; I172-T180 WeakPolarHBondContact CG2-OG1 3.35Å; D176-T180 WeakPolarHBondContact O-CB 3.34Å; D176-T180 PolarHBondContact O-N 2.93Å; D176-T180 PolarHBondContact O-OG1 2.92Å; K177-T180 PolarHBondContact O-N 3.41Å; T178-T180 VanDerWaalsContact C-N 3.3Å; T178-T180 PolarHBondContact O-N 3.1Å; T180-S182 VanDerWaalsContact C-N 3.27Å; T180-S182 PolarHBondContact O-N 3.09Å; T180-S183 PolarHBondContact O-N 3.47Å; T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.44Å; T180-V184 VanDerWaalsContact O-N 3.13Å; T180-P313 HydrophobicContact CG2-CG 3.6Å
181S95.1Very high89.7Confident25 Ų2561.6 Ų61.618%0.17533%0.331CS..Hα-helixtrans-58-39.2177.1-73.90000112.1K177 T178 K185 E312K177-S181 WeakPolarHBondContact O-CB 3.38Å; K177-S181 PolarHBondContact O-N 2.89Å; K177-S181 PolarHBondContact O-OG 3.24Å; T178-S181 PolarHBondContact O-N 2.7Å; S181-K185 VanDerWaalsContact O-CB 3.28Å; S181-K185 WeakPolarHBondContact O-CB 3.4Å; S181-K185 PolarHBondContact O-N 2.63Å; S181-E312 WeakPolarHBondContact OG-CA 3.42Å; S181-E312 PolarHBondContact OG-N 3.35Å; S181-E312 PolarHBondContact OG-OE2 3.07Å
182S95Very high90.1Very high58 Ų5857.9 Ų57.941%0.40631%0.311SS..Hα-helixtrans-67.2-40.3179.875.80000113T178 L179 T180 K185 A186T178-S182 WeakPolarHBondContact O-CB 3.42Å; T178-S182 PolarHBondContact O-N 3.14Å; T178-S182 PolarHBondContact O-OG 3.5Å; L179-S182 PolarHBondContact O-N 2.7Å; L179-S182 PolarHBondContact O-OG 3.18Å; T180-S182 VanDerWaalsContact C-N 3.27Å; T180-S182 PolarHBondContact O-N 3.09Å; S182-K185 PolarHBondContact O-N 3.19Å; S182-A186 VanDerWaalsContact O-CB 3.29Å; S182-A186 WeakPolarHBondContact O-CB 3.31Å; S182-A186 PolarHBondContact O-N 2.82Å
183S95.6Very high90.8Very high23 Ų2360.6 Ų60.616%0.16133%0.325CS..Hα-helixtrans-66-43.3176.4-67.90000111.8L179 T180 A186 A187L179-S183 PolarHBondContact O-N 2.67Å; L179-S183 PolarHBondContact O-OG 3.21Å; T180-S183 PolarHBondContact O-N 3.47Å; S183-A186 PolarHBondContact O-N 3.38Å; S183-A187 PolarHBondContact O-N 2.96Å
184V97.3Very high92.1Very high0 Ų052.9 Ų52.90%029%0.294CS..Hα-helixtrans-62-46.2175.5174.50000110.5F141 P144 I147 L169 T180 A186 A187 Y188 Y311 P313F141-V184 HydrophobicContact CB-CG1 3.9Å; F141-V184 HydrophobicContact CD1-CG1 3.39Å; F141-V184 HydrophobicContact CD2-CG1 4.06Å; F141-V184 HydrophobicContact CE1-CG1 3.85Å; F141-V184 HydrophobicContact CE2-CG1 4.46Å; F141-V184 HydrophobicContact CG-CG1 3.5Å; F141-V184 HydrophobicContact CZ-CG1 4.36Å; P144-V184 HydrophobicContact CB-CG2 3.9Å; I147-V184 HydrophobicContact CD1-CG1 4.21Å; I147-V184 HydrophobicContact CD1-CG2 4.3Å; L169-V184 HydrophobicContact CD2-CG2 4.01Å; T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.44Å; T180-V184 VanDerWaalsContact O-N 3.13Å; V184-A186 VanDerWaalsContact C-N 3.34Å; V184-A186 PolarHBondContact O-N 2.96Å; V184-A187 PolarHBondContact O-N 2.92Å; V184-Y188 WeakPolarHBondContact O-CB 3.46Å; V184-Y188 PolarHBondContact O-N 2.82Å; V184-Y311 HydrophobicContact CG1-CD1 4.3Å; V184-P313 HydrophobicContact CG2-CG 3.92Å
185K97.8Very high93.8Very high88 Ų8853.6 Ų53.638%0.38330%0.295SS..Hα-helixtrans-56.4-47.8174.6177.9168.3-170.8169.80112.2S181 S182 S189 Y311S181-K185 VanDerWaalsContact O-CB 3.28Å; S181-K185 WeakPolarHBondContact O-CB 3.4Å; S181-K185 PolarHBondContact O-N 2.63Å; S182-K185 PolarHBondContact O-N 3.19Å; K185-S189 WeakPolarHBondContact O-CB 3.49Å; K185-S189 PolarHBondContact O-N 3.05Å; K185-S189 PolarHBondContact O-OG 2.86Å; K185-Y311 VanDerWaalsContact CA-CD1 3.43Å; K185-Y311 VanDerWaalsContact CA-CE1 3.46Å; K185-Y311 HydrophobicContact CB-CD1 3.63Å; K185-Y311 HydrophobicContact CB-CD2 3.88Å; K185-Y311 HydrophobicContact CB-CE1 3.75Å; K185-Y311 HydrophobicContact CB-CE2 4Å; K185-Y311 HydrophobicContact CB-CG 3.67Å; K185-Y311 HydrophobicContact CD-CD2 3.8Å; K185-Y311 HydrophobicContact CD-CE2 3.51Å; K185-Y311 HydrophobicContact CD-CG 4.46Å; K185-Y311 HydrophobicContact CG-CD1 4.23Å; K185-Y311 HydrophobicContact CG-CD2 4Å; K185-Y311 HydrophobicContact CG-CE1 3.89Å; K185-Y311 HydrophobicContact CG-CE2 3.63Å; K185-Y311 HydrophobicContact CG-CG 4.26Å
186A97.7Very high95.1Very high39 Ų3951.2 Ų51.232%0.32229%0.285SS..Hα-helixtrans-62.5-47.8-177.600000111.3F165 S182 S183 V184 R190F165-A186 HydrophobicContact CD1-CB 3.91Å; F165-A186 HydrophobicContact CE1-CB 3.81Å; S182-A186 VanDerWaalsContact O-CB 3.29Å; S182-A186 WeakPolarHBondContact O-CB 3.31Å; S182-A186 PolarHBondContact O-N 2.82Å; S183-A186 PolarHBondContact O-N 3.38Å; V184-A186 VanDerWaalsContact C-N 3.34Å; V184-A186 PolarHBondContact O-N 2.96Å; A186-R190 WeakPolarHBondContact O-CB 3.21Å; A186-R190 PolarHBondContact O-N 2.91Å
187A98.3Very high95.9Very high0 Ų050.7 Ų50.70%029%0.287CS..Hα-helixtrans-65.6-44.1178.200000112.7I161 F165 L169 S183 V184 R190 L191 F253I161-A187 WeakPolarHBondContact CD1-O 3.34Å; I161-A187 HydrophobicContact CG2-CB 4.4Å; F165-A187 HydrophobicContact CB-CB 4.25Å; L169-A187 HydrophobicContact CD1-CB 3.74Å; L169-A187 HydrophobicContact CD2-CB 4.45Å; L169-A187 HydrophobicContact CG-CB 4.27Å; S183-A187 PolarHBondContact O-N 2.96Å; V184-A187 PolarHBondContact O-N 2.92Å; A187-R190 WeakPolarHBondContact O-CB 3.4Å; A187-R190 PolarHBondContact O-N 2.79Å; A187-L191 PolarHBondContact O-N 3.26Å; A187-F253 HydrophobicContact CB-CE1 3.96Å; A187-F253 HydrophobicContact CB-CZ 4.36Å
188Y98.6Very high96.5Very high0 Ų047.7 Ų47.70%028%0.28CS..Hα-helixtrans-68.8-39.2178.8-167.1-114.9000112F141 V184 R190 L191 M192 S250 F253 F254 L306 I309 Y311F141-Y188 AromaticContact CE1-CD1 3.95Å; F141-Y188 HydrophobicContact CE1-CD1 3.95Å; F141-Y188 AromaticContact CE1-CD2 3.81Å; F141-Y188 HydrophobicContact CE1-CD2 3.81Å; F141-Y188 HydrophobicContact CE1-CE1 4.48Å; F141-Y188 HydrophobicContact CE1-CE2 4.36Å; F141-Y188 AromaticContact CE1-CG 3.57Å; F141-Y188 HydrophobicContact CE1-CG 3.57Å; F141-Y188 AromaticContact CZ-CD1 3.59Å; F141-Y188 HydrophobicContact CZ-CD1 3.59Å; F141-Y188 HydrophobicContact CZ-CD2 4.3Å; F141-Y188 HydrophobicContact CZ-CE1 4.07Å; F141-Y188 AromaticContact CZ-CG 3.71Å; F141-Y188 HydrophobicContact CZ-CG 3.71Å; V184-Y188 WeakPolarHBondContact O-CB 3.46Å; V184-Y188 PolarHBondContact O-N 2.82Å; Y188-R190 VanDerWaalsContact C-N 3.25Å; Y188-R190 PolarHBondContact O-N 2.97Å; Y188-L191 HydrophobicContact CD2-CD2 4.23Å; Y188-L191 HydrophobicContact CE2-CD2 4.12Å; Y188-L191 WeakPolarHBondContact O-CB 3.48Å; Y188-L191 PolarHBondContact O-N 2.96Å; Y188-M192 HydrophobicContact CD1-CG 3.9Å; Y188-M192 HydrophobicContact CD2-CG 4.42Å; Y188-M192 HydrophobicContact CE1-CG 3.58Å; Y188-M192 HydrophobicContact CE1-SD 4.14Å; Y188-M192 HydrophobicContact CE2-CG 4.13Å; Y188-M192 HydrophobicContact CE2-SD 4.1Å; Y188-M192 HydrophobicContact CG-CG 4.32Å; Y188-M192 WeakPolarHBondContact O-CB 3.3Å; Y188-M192 VanDerWaalsContact O-CG 3.31Å; Y188-M192 WeakPolarHBondContact O-CG 3.42Å; Y188-M192 PolarHBondContact O-N 2.84Å; Y188-S250 WeakPolarHBondContact CE2-OG 3.49Å; Y188-S250 PolarHBondContact OH-OG 2.78Å; Y188-F253 HydrophobicContact CD2-CB 3.99Å; Y188-F253 AromaticContact CD2-CD1 3.58Å; Y188-F253 HydrophobicContact CD2-CD1 3.58Å; Y188-F253 HydrophobicContact CD2-CD2 4.11Å; Y188-F253 HydrophobicContact CD2-CE1 4.06Å; Y188-F253 AromaticContact CD2-CG 3.62Å; Y188-F253 HydrophobicContact CD2-CG 3.62Å; Y188-F253 HydrophobicContact CE2-CB 4.17Å; Y188-F253 HydrophobicContact CE2-CD2 4.5Å; Y188-F253 HydrophobicContact CE2-CG 4.16Å; Y188-F253 HydrophobicContact CG-CD1 4.23Å; Y188-F254 HydrophobicContact CE1-CZ 4.25Å; Y188-F254 HydrophobicContact CE2-CE1 4.31Å; Y188-F254 HydrophobicContact CE2-CZ 4.07Å; Y188-F254 AromaticContact CZ-CZ 3.62Å; Y188-F254 VanDerWaalsContact OH-CZ 3.28Å; Y188-F254 WeakPolarHBondContact OH-CZ 3.35Å; Y188-L306 HydrophobicContact CD1-CD2 3.68Å; Y188-L306 HydrophobicContact CE1-CD2 4.08Å; Y188-I309 HydrophobicContact CD1-CD1 3.92Å; Y188-I309 HydrophobicContact CE1-CD1 3.82Å; Y188-Y311 HydrophobicContact CD1-CE1 4.45Å
189S98.4Very high97Very high26 Ų2642.6 Ų42.618%0.18225%0.248CC..Hα-helixtrans-62.1-36.1173.4-570000111.4K185 M192 N193K185-S189 WeakPolarHBondContact O-CB 3.49Å; K185-S189 PolarHBondContact O-N 3.05Å; K185-S189 PolarHBondContact O-OG 2.86Å; S189-M192 PolarHBondContact O-N 3.33Å; S189-N193 WeakPolarHBondContact O-CB 3.49Å; S189-N193 PolarHBondContact O-N 2.91Å; S189-N193 PolarHBondContact O-ND2 3.17Å
190R98.4Very high97.5Very high103 Ų10341.2 Ų41.239%0.38925%0.245SC..Hα-helixtrans-63.2-42.6174.2172.859.7-169.2140.8-0.5112I160 F165 A186 A187 Y188 A194I160-R190 PolarHBondContact O-NE 3.26Å; I160-R190 PolarHBondContact O-NH2 3.06Å; I160-R190 VanDerWaalsContact O-NH2 3.13Å; F165-R190 HydrophobicContact CD2-CG 4.23Å; F165-R190 HydrophobicContact CE1-CB 4.41Å; F165-R190 HydrophobicContact CE2-CB 4.3Å; F165-R190 HydrophobicContact CE2-CG 4.05Å; F165-R190 HydrophobicContact CZ-CB 4.24Å; F165-R190 HydrophobicContact CZ-CG 4.45Å; A186-R190 WeakPolarHBondContact O-CB 3.21Å; A186-R190 PolarHBondContact O-N 2.91Å; A187-R190 WeakPolarHBondContact O-CB 3.4Å; A187-R190 PolarHBondContact O-N 2.79Å; Y188-R190 VanDerWaalsContact C-N 3.25Å; Y188-R190 PolarHBondContact O-N 2.97Å; R190-A194 PolarHBondContact O-N 3.34Å
191L98.6Very high97.8Very high0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-61.6-53.6173.8173.661.4000111.4I160 I161 A187 Y188 N193 A194 V246 F249 F253I160-L191 HydrophobicContact CD1-CD1 4.05Å; I160-L191 HydrophobicContact CG2-CD1 3.94Å; I161-L191 HydrophobicContact CD1-CB 3.84Å; A187-L191 PolarHBondContact O-N 3.26Å; Y188-L191 HydrophobicContact CD2-CD2 4.23Å; Y188-L191 HydrophobicContact CE2-CD2 4.12Å; Y188-L191 WeakPolarHBondContact O-CB 3.48Å; Y188-L191 PolarHBondContact O-N 2.96Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 2.65Å; L191-A194 VanDerWaalsContact O-CB 3.3Å; L191-A194 WeakPolarHBondContact O-CB 3.38Å; L191-A194 PolarHBondContact O-N 3.1Å; L191-A194 VanDerWaalsContact O-N 3.14Å; L191-V246 HydrophobicContact CD1-CG2 3.76Å; L191-V246 HydrophobicContact CG-CG2 3.77Å; L191-F249 HydrophobicContact CD1-CB 3.8Å; L191-F249 HydrophobicContact CD1-CD2 4.24Å; L191-F249 HydrophobicContact CD1-CG 4.35Å; L191-F249 HydrophobicContact CD2-CB 3.83Å; L191-F249 HydrophobicContact CG-CB 4.47Å; L191-F253 HydrophobicContact CB-CE2 4.49Å; L191-F253 HydrophobicContact CD2-CD2 3.87Å; L191-F253 HydrophobicContact CD2-CE2 3.65Å; L191-F253 HydrophobicContact CD2-CZ 4.44Å
192M98.3Very high98Very high13 Ų1346 Ų466%0.06427%0.268CS..Hα-helixtrans-68.9-26.1-170.6-67.8-53.7-56.400113.6Y188 S189 V246 A293 V302 L306Y188-M192 HydrophobicContact CD1-CG 3.9Å; Y188-M192 HydrophobicContact CD2-CG 4.42Å; Y188-M192 HydrophobicContact CE1-CG 3.58Å; Y188-M192 HydrophobicContact CE1-SD 4.14Å; Y188-M192 HydrophobicContact CE2-CG 4.13Å; Y188-M192 HydrophobicContact CE2-SD 4.1Å; Y188-M192 HydrophobicContact CG-CG 4.32Å; Y188-M192 WeakPolarHBondContact O-CB 3.3Å; Y188-M192 VanDerWaalsContact O-CG 3.31Å; Y188-M192 WeakPolarHBondContact O-CG 3.42Å; Y188-M192 PolarHBondContact O-N 2.84Å; S189-M192 PolarHBondContact O-N 3.33Å; M192-V246 HydrophobicContact CE-CG1 3.77Å; M192-V246 HydrophobicContact SD-CG1 4.11Å; M192-V246 HydrophobicContact SD-CG2 4Å; M192-A293 HydrophobicContact CE-CB 3.76Å; M192-A293 VanDerWaalsContact CE-O 3.31Å; M192-A293 WeakPolarHBondContact CE-O 3.18Å; M192-V302 HydrophobicContact CB-CG1 3.81Å; M192-V302 HydrophobicContact CE-CG1 4.27Å; M192-V302 HydrophobicContact CE-CG2 4.13Å; M192-L306 HydrophobicContact CB-CD1 4.06Å; M192-L306 HydrophobicContact CB-CD2 4.18Å; M192-L306 HydrophobicContact CB-CG 4.45Å; M192-L306 HydrophobicContact CG-CD2 4.08Å
193N98Very high98.2Very high90 Ų9043.3 Ų43.348%0.48125%0.249SC..THydrogen-bonded Turntrans-99.18.4175.7-64.4-60.5000113.4S189 L191 L306S189-N193 WeakPolarHBondContact O-CB 3.49Å; S189-N193 PolarHBondContact O-N 2.91Å; S189-N193 PolarHBondContact O-ND2 3.17Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 2.65Å; N193-L306 WeakPolarHBondContact ND2-CD1 3.2Å
194A98.2Very high98.3Very high14 Ų1446.2 Ų46.212%0.11626%0.26CS..SBendtrans-67.9151.1174.600000110.9I160 R190 L191 S196 V199I160-A194 HydrophobicContact CG2-CB 3.65Å; R190-A194 PolarHBondContact O-N 3.34Å; L191-A194 VanDerWaalsContact O-CB 3.3Å; L191-A194 WeakPolarHBondContact O-CB 3.38Å; L191-A194 PolarHBondContact O-N 3.1Å; L191-A194 VanDerWaalsContact O-N 3.14Å; A194-S196 PolarHBondContact O-N 3.36Å; A194-V199 HydrophobicContact CB-CG2 3.66Å
195D98Very high98.4Very high89 Ų8947.4 Ų47.448%0.47627%0.27SS..  trans-56.7129176.8177.9-86.3000110.8S197 V198 V199D195-S197 VanDerWaalsContact C-N 3.25Å; D195-S197 PolarHBondContact O-N 3.42Å; D195-S197 WeakPolarHBondContact OD1-CA 3.27Å; D195-S197 VanDerWaalsContact OD1-CB 3.27Å; D195-S197 WeakPolarHBondContact OD1-CB 3.43Å; D195-S197 PolarHBondContact OD1-N 3.31Å; D195-S197 PolarHBondContact OD1-OG 3.01Å; D195-V198 HydrophobicContact CB-CB 4.21Å; D195-V198 HydrophobicContact CB-CG2 3.96Å; D195-V198 WeakPolarHBondContact O-CB 3.32Å; D195-V198 PolarHBondContact O-N 2.91Å; D195-V198 VanDerWaalsContact O-N 3.13Å; D195-V198 PolarHBondContact OD1-N 3.1Å; D195-V198 VanDerWaalsContact OD1-N 3.09Å; D195-V199 WeakPolarHBondContact O-CG2 3.16Å; D195-V199 PolarHBondContact O-N 3.46Å
196S97.2Very high98.4Very high96 Ų9643.2 Ų43.267%0.67125%0.252SS*.Hα-helixtrans-64.6-29.7-172.560.10000113A194 S200A194-S196 PolarHBondContact O-N 3.36Å; S196-S200 WeakPolarHBondContact O-CB 3.12Å; S196-S200 PolarHBondContact O-N 2.72Å
197S98.4Very high98.5Very high65 Ų6542.9 Ų42.946%0.45524%0.243SC..Hα-helixtrans-71.9-39.3176.878.50000111.1D195 S200 N201D195-S197 VanDerWaalsContact C-N 3.25Å; D195-S197 PolarHBondContact O-N 3.42Å; D195-S197 WeakPolarHBondContact OD1-CA 3.27Å; D195-S197 VanDerWaalsContact OD1-CB 3.27Å; D195-S197 WeakPolarHBondContact OD1-CB 3.43Å; D195-S197 PolarHBondContact OD1-N 3.31Å; D195-S197 PolarHBondContact OD1-OG 3.01Å; S197-S200 PolarHBondContact O-N 3.31Å; S197-N201 WeakPolarHBondContact O-CB 3.36Å; S197-N201 PolarHBondContact O-N 3.45Å; S197-N201 PolarHBondContact O-ND2 3.31Å; S197-N201 VanDerWaalsContact O-ND2 3.13Å
198V98.5Very high98.5Very high68 Ų6850.4 Ų50.441%0.41227%0.271SS..Hα-helixtrans-62.8-49.7173.8175.20000110.3D195 S200 N201 L202D195-V198 HydrophobicContact CB-CB 4.21Å; D195-V198 HydrophobicContact CB-CG2 3.96Å; D195-V198 WeakPolarHBondContact O-CB 3.32Å; D195-V198 PolarHBondContact O-N 2.91Å; D195-V198 VanDerWaalsContact O-N 3.13Å; D195-V198 PolarHBondContact OD1-N 3.1Å; D195-V198 VanDerWaalsContact OD1-N 3.09Å; V198-S200 VanDerWaalsContact C-N 3.32Å; V198-S200 PolarHBondContact O-N 2.77Å; V198-N201 PolarHBondContact O-N 3.34Å; V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 WeakPolarHBondContact O-CB 3.31Å; V198-L202 VanDerWaalsContact O-CG 3.31Å; V198-L202 WeakPolarHBondContact O-CG 3.26Å; V198-L202 PolarHBondContact O-N 2.92Å
199V98.7Very high98.5Very high3 Ų352.3 Ų52.32%0.01828%0.278CS..Hα-helixtrans-56.9-48.4176173.30000110.5I160 A194 D195 N201 L202 V203 V246 F249I160-V199 HydrophobicContact CD1-CG2 4.24Å; A194-V199 HydrophobicContact CB-CG2 3.66Å; D195-V199 WeakPolarHBondContact O-CG2 3.16Å; D195-V199 PolarHBondContact O-N 3.46Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.74Å; V199-L202 PolarHBondContact O-N 2.87Å; V199-L202 VanDerWaalsContact O-N 3.14Å; V199-V203 HydrophobicContact CG1-CG2 4.12Å; V199-V203 WeakPolarHBondContact O-CG2 3.36Å; V199-V203 PolarHBondContact O-N 3.48Å; V199-V246 HydrophobicContact CG1-CB 3.83Å; V199-V246 HydrophobicContact CG1-CG2 4.09Å; V199-V246 HydrophobicContact CG2-CG2 4.39Å; V199-F249 HydrophobicContact CG1-CD2 4.44Å
200S98.7Very high98.5Very high47 Ų4751.8 Ų51.833%0.32927%0.274SS..Hα-helixtrans-58-46.3-178.4-1770000112.2S196 S197 V198 L202 V203 E204S196-S200 WeakPolarHBondContact O-CB 3.12Å; S196-S200 PolarHBondContact O-N 2.72Å; S197-S200 PolarHBondContact O-N 3.31Å; V198-S200 VanDerWaalsContact C-N 3.32Å; V198-S200 PolarHBondContact O-N 2.77Å; S200-L202 VanDerWaalsContact C-N 3.32Å; S200-L202 PolarHBondContact O-N 3.46Å; S200-V203 PolarHBondContact O-N 3.41Å; S200-E204 PolarHBondContact O-N 3.26Å; S200-E204 VanDerWaalsContact O-N 3.13Å
201N98.8Very high98.5Very high112 Ų11251 Ų5160%0.59928%0.28SS*.Hα-helixtrans-63.1-38.8178.3-71-29.3000112.1S197 V198 V199 A205S197-N201 WeakPolarHBondContact O-CB 3.36Å; S197-N201 PolarHBondContact O-N 3.45Å; S197-N201 PolarHBondContact O-ND2 3.31Å; S197-N201 VanDerWaalsContact O-ND2 3.13Å; V198-N201 PolarHBondContact O-N 3.34Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.74Å; N201-A205 WeakPolarHBondContact O-CB 3.35Å; N201-A205 PolarHBondContact O-N 2.99Å
202L98.9Very high98.5Very high33 Ų3356.7 Ų56.717%0.17331%0.311CS..Hα-helixtrans-76.5-34.9-178.4-69.2172.9000112.8E156 A159 I160 V198 V199 S200 A205 L206 F249E156-L202 HydrophobicContact CB-CB 4.25Å; E156-L202 HydrophobicContact CB-CD2 4.26Å; E156-L202 HydrophobicContact CG-CD2 4.49Å; A159-L202 HydrophobicContact CB-CD1 3.97Å; A159-L202 HydrophobicContact CB-CD2 4.24Å; I160-L202 HydrophobicContact CD1-CB 4.35Å; I160-L202 HydrophobicContact CD1-CD1 3.95Å; I160-L202 HydrophobicContact CG1-CD1 3.38Å; V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 WeakPolarHBondContact O-CB 3.31Å; V198-L202 VanDerWaalsContact O-CG 3.31Å; V198-L202 WeakPolarHBondContact O-CG 3.26Å; V198-L202 PolarHBondContact O-N 2.92Å; V199-L202 PolarHBondContact O-N 2.87Å; V199-L202 VanDerWaalsContact O-N 3.14Å; S200-L202 VanDerWaalsContact C-N 3.32Å; S200-L202 PolarHBondContact O-N 3.46Å; L202-A205 PolarHBondContact O-N 3.27Å; L202-L206 PolarHBondContact O-N 3.3Å; L202-F249 HydrophobicContact CB-CE2 4.11Å; L202-F249 HydrophobicContact CB-CZ 4.12Å
203V98.9Very high98.4Very high0 Ų058.9 Ų58.90%034%0.336CS..Hα-helixtrans-60.5-48170.7168.50000110.1V199 S200 A205 L206 K207 F235 A239 C248 F249V199-V203 HydrophobicContact CG1-CG2 4.12Å; V199-V203 WeakPolarHBondContact O-CG2 3.36Å; V199-V203 PolarHBondContact O-N 3.48Å; S200-V203 PolarHBondContact O-N 3.41Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-A205 PolarHBondContact O-N 3.09Å; V203-L206 PolarHBondContact O-N 2.74Å; V203-K207 WeakPolarHBondContact O-CB 3.29Å; V203-K207 PolarHBondContact O-N 3.3Å; V203-F235 HydrophobicContact CB-CZ 4.49Å; V203-F235 HydrophobicContact CG1-CZ 4.11Å; V203-A239 HydrophobicContact CG1-CB 3.69Å; V203-C248 HydrophobicContact CG1-CB 4.14Å; V203-C248 HydrophobicContact CG2-CB 4.2Å; V203-F249 HydrophobicContact CB-CE2 4.33Å; V203-F249 HydrophobicContact CG2-CD2 3.66Å; V203-F249 HydrophobicContact CG2-CE2 3.39Å; V203-F249 HydrophobicContact CG2-CZ 4.15Å
204E98.8Very high98.3Very high85 Ų8559.8 Ų59.840%0.39734%0.338SS..Hα-helixtrans-66.7-37.3179.7-170.857.1-147.300111.8S200 K207 R208S200-E204 PolarHBondContact O-N 3.26Å; S200-E204 VanDerWaalsContact O-N 3.13Å; E204-K207 PolarHBondContact O-N 3.16Å; E204-K207 IonicContact OE2-NZ 2.77Å; E204-R208 VanDerWaalsContact O-CB 3.31Å; E204-R208 WeakPolarHBondContact O-CB 3.43Å; E204-R208 PolarHBondContact O-N 3.39Å
205A98.8Very high98.2Very high24 Ų2464.9 Ų64.920%0.19836%0.357CS..Hα-helixtrans-60.5-49174.800000112.1E156 N201 L202 V203 R208 R209E156-A205 HydrophobicContact CG-CB 4.11Å; N201-A205 WeakPolarHBondContact O-CB 3.35Å; N201-A205 PolarHBondContact O-N 2.99Å; L202-A205 PolarHBondContact O-N 3.27Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-A205 PolarHBondContact O-N 3.09Å; A205-R208 PolarHBondContact O-N 3.28Å; A205-R209 WeakPolarHBondContact O-CB 3.29Å; A205-R209 PolarHBondContact O-N 3.4Å
206L98.8Very high98.2Very high0 Ų060.8 Ų60.80%034%0.335CS..Hα-helixtrans-64.3-44.8177.8178.955.3000111.1I154 E156 L202 V203 R208 R209 L210 F235 F249 F252I154-L206 HydrophobicContact CG2-CD1 4.1Å; I154-L206 HydrophobicContact CG2-CD2 3.67Å; E156-L206 HydrophobicContact CB-CB 4.09Å; E156-L206 HydrophobicContact CG-CB 3.88Å; L202-L206 PolarHBondContact O-N 3.3Å; V203-L206 PolarHBondContact O-N 2.74Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.19Å; L206-R209 VanDerWaalsContact CD1-NH2 3.29Å; L206-R209 WeakPolarHBondContact O-CB 3.38Å; L206-R209 PolarHBondContact O-N 3.3Å; L206-L210 HydrophobicContact CD1-CD1 3.88Å; L206-L210 HydrophobicContact CD1-CD2 4.13Å; L206-L210 HydrophobicContact CD1-CG 3.82Å; L206-L210 HydrophobicContact CG-CD1 3.99Å; L206-L210 HydrophobicContact CG-CG 4.32Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.24Å; L206-L210 PolarHBondContact O-N 3.01Å; L206-F235 HydrophobicContact CB-CE1 3.73Å; L206-F235 HydrophobicContact CB-CZ 3.91Å; L206-F235 HydrophobicContact CD2-CD1 4.04Å; L206-F235 HydrophobicContact CD2-CD2 4.07Å; L206-F235 HydrophobicContact CD2-CE1 3.71Å; L206-F235 HydrophobicContact CD2-CE2 3.72Å; L206-F235 HydrophobicContact CD2-CG 4.22Å; L206-F235 HydrophobicContact CD2-CZ 3.54Å; L206-F235 HydrophobicContact CG-CD1 3.91Å; L206-F235 HydrophobicContact CG-CE1 3.53Å; L206-F235 HydrophobicContact CG-CE2 4.47Å; L206-F235 HydrophobicContact CG-CZ 3.85Å; L206-F249 HydrophobicContact CD2-CE1 3.76Å; L206-F252 HydrophobicContact CD2-CE2 3.96Å; L206-F252 HydrophobicContact CD2-CZ 4.2Å
207K98.8Very high98Very high33 Ų3362.5 Ų62.514%0.14334%0.336CS..Hα-helixtrans-56.6-47.9177.7178.9-169.6178-179.20111.5V203 E204 L210 T211 F235 A239 T240V203-K207 WeakPolarHBondContact O-CB 3.29Å; V203-K207 PolarHBondContact O-N 3.3Å; E204-K207 PolarHBondContact O-N 3.16Å; E204-K207 IonicContact OE2-NZ 2.77Å; K207-L210 PolarHBondContact O-N 2.71Å; K207-T211 VanDerWaalsContact O-CB 3.29Å; K207-T211 WeakPolarHBondContact O-CB 3.38Å; K207-T211 PolarHBondContact O-N 2.93Å; K207-T211 PolarHBondContact O-OG1 2.77Å; K207-F235 HydrophobicContact CB-CE1 4.19Å; K207-A239 HydrophobicContact CB-CB 4.01Å; K207-A239 HydrophobicContact CD-CB 3.82Å; K207-A239 HydrophobicContact CG-CB 4.08Å; K207-A239 PolarHBondContact NZ-O 3.02Å; K207-A239 VanDerWaalsContact NZ-O 3.1Å; K207-T240 WeakPolarHBondContact CE-OG1 3.14Å
208R98.7Very high97.9Very high157 Ų15760.4 Ų60.459%0.59232%0.319SS*.Hα-helixtrans-61.8-44.6177.6-179.3177.460.5-175-3.9111.5E204 A205 L206 L210 T211 N212E204-R208 VanDerWaalsContact O-CB 3.31Å; E204-R208 WeakPolarHBondContact O-CB 3.43Å; E204-R208 PolarHBondContact O-N 3.39Å; A205-R208 PolarHBondContact O-N 3.28Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.19Å; R208-L210 PolarHBondContact O-N 2.82Å; R208-T211 PolarHBondContact O-N 2.92Å; R208-N212 WeakPolarHBondContact O-CB 3.48Å; R208-N212 PolarHBondContact O-N 3.39Å; R208-N212 PolarHBondContact O-ND2 3.11Å
209R98.5Very high97.5Very high40 Ų4060.6 Ų60.615%0.15132%0.322CS..Hα-helixtrans-55.9-51.4176.7-177.4162.369.2101.8-2.8111.4E156 A205 L206 N212 E214E156-R209 IonicContact OE1-CZ 2.74Å; E156-R209 IonicContact OE1-NE 3.4Å; E156-R209 PolarHBondContact OE1-NE 3.19Å; E156-R209 IonicContact OE1-NH2 3.64Å; E156-R209 IonicContact OE2-CZ 2.82Å; E156-R209 IonicContact OE2-NE 2.72Å; E156-R209 IonicContact OE2-NH2 2.72Å; E156-R209 PolarHBondContact OE2-NH2 3.12Å; A205-R209 WeakPolarHBondContact O-CB 3.29Å; A205-R209 PolarHBondContact O-N 3.4Å; L206-R209 VanDerWaalsContact CD1-NH2 3.29Å; L206-R209 WeakPolarHBondContact O-CB 3.38Å; L206-R209 PolarHBondContact O-N 3.3Å; R209-N212 PolarHBondContact O-N 3.08Å; R209-E214 WeakPolarHBondContact CD-OE2 3.39Å; R209-E214 HydrophobicContact CG-CB 3.7Å; R209-E214 VanDerWaalsContact CG-CD 3.46Å; R209-E214 HydrophobicContact CG-CG 4.13Å; R209-E214 WeakPolarHBondContact CG-OE2 3.43Å; R209-E214 WeakPolarHBondContact O-CB 3.28Å; R209-E214 PolarHBondContact O-N 2.83Å
210L98.6Very high96.9Very high16 Ų1665.2 Ų65.28%0.08435%0.352CS..Hα-helixtrans-68-38-179.3-58177.2000112.8L206 K207 R208 N212 G213 E214 I216 F235 I236L206-L210 HydrophobicContact CD1-CD1 3.88Å; L206-L210 HydrophobicContact CD1-CD2 4.13Å; L206-L210 HydrophobicContact CD1-CG 3.82Å; L206-L210 HydrophobicContact CG-CD1 3.99Å; L206-L210 HydrophobicContact CG-CG 4.32Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.24Å; L206-L210 PolarHBondContact O-N 3.01Å; K207-L210 PolarHBondContact O-N 2.71Å; R208-L210 PolarHBondContact O-N 2.82Å; L210-N212 VanDerWaalsContact C-N 3.27Å; L210-N212 PolarHBondContact O-N 2.72Å; L210-G213 PolarHBondContact O-N 2.79Å; L210-G213 VanDerWaalsContact O-N 3.09Å; L210-E214 WeakPolarHBondContact CA-O 3.34Å; L210-E214 WeakPolarHBondContact CD2-O 3.42Å; L210-I216 HydrophobicContact CD1-CD1 4.3Å; L210-I216 HydrophobicContact CD2-CD1 4.36Å; L210-I216 HydrophobicContact CD2-CG1 3.77Å; L210-F235 HydrophobicContact CD1-CB 4.32Å; L210-F235 HydrophobicContact CD1-CD1 3.96Å; L210-F235 HydrophobicContact CD1-CG 4.41Å; L210-I236 HydrophobicContact CB-CD1 3.72Å; L210-I236 HydrophobicContact CB-CG1 3.89Å; L210-I236 HydrophobicContact CD1-CG1 4.38Å
211T98.2Very high95.6Very high85 Ų8565.7 Ų65.752%0.52135%0.348SS..Hα-helixtrans-67.2-29.2177.6-58.30000112K207 R208 G213K207-T211 VanDerWaalsContact O-CB 3.29Å; K207-T211 WeakPolarHBondContact O-CB 3.38Å; K207-T211 PolarHBondContact O-N 2.93Å; K207-T211 PolarHBondContact O-OG1 2.77Å; R208-T211 PolarHBondContact O-N 2.92Å; T211-G213 PolarHBondContact O-N 2.83Å
212N98.2Very high94.5Very high121 Ų12167.1 Ų67.165%0.64735%0.349SS*.THydrogen-bonded Turntrans-77.44.6174-70.8-13.2000113.6R208 R209 L210R208-N212 WeakPolarHBondContact O-CB 3.48Å; R208-N212 PolarHBondContact O-N 3.39Å; R208-N212 PolarHBondContact O-ND2 3.11Å; R209-N212 PolarHBondContact O-N 3.08Å; L210-N212 VanDerWaalsContact C-N 3.27Å; L210-N212 PolarHBondContact O-N 2.72Å
213G96.2Very high93.6Very high58 Ų5873.5 Ų73.560%0.59838%0.383SS*.THydrogen-bonded Turntrans92.10.8174.400000115.1L210 T211L210-G213 PolarHBondContact O-N 2.79Å; L210-G213 VanDerWaalsContact O-N 3.09Å; T211-G213 PolarHBondContact O-N 2.83Å
214E97.6Very high93Very high109 Ų10976.8 Ų76.851%0.50940%0.396SS..  trans-69.6144.3168.5-65.9-177.5-122.900110.2R209 L210R209-E214 WeakPolarHBondContact CD-OE2 3.39Å; R209-E214 HydrophobicContact CG-CB 3.7Å; R209-E214 VanDerWaalsContact CG-CD 3.46Å; R209-E214 HydrophobicContact CG-CG 4.13Å; R209-E214 WeakPolarHBondContact CG-OE2 3.43Å; R209-E214 WeakPolarHBondContact O-CB 3.28Å; R209-E214 PolarHBondContact O-N 2.83Å; L210-E214 WeakPolarHBondContact CA-O 3.34Å; L210-E214 WeakPolarHBondContact CD2-O 3.42Å
215K95.4Very high92.6Very high121 Ų12178.9 Ų78.953%0.52641%0.409SS..  trans-108.6154.4-179.6-60.1-165179.8-161.50111.4I217 E229K215-I217 HydrophobicContact CB-CG1 4.48Å; K215-I217 PolarHBondContact O-N 2.74Å; K215-E229 IonicContact NZ-OE1 3.29Å; K215-E229 PolarHBondContact NZ-OE1 3.15Å
216I97.1Very high92.3Very high4 Ų478.6 Ų78.62%0.02140%0.404CS..  trans-74.2114.7165.1-61.7170.8000107.2I154 L210 I218 T228 F252I154-I216 HydrophobicContact CD1-CD1 3.88Å; I154-I216 HydrophobicContact CD1-CG1 4.46Å; I154-I216 HydrophobicContact CD1-CG2 4.21Å; I154-I216 HydrophobicContact CG1-CD1 4.33Å; I154-I216 HydrophobicContact CG1-CG1 4.38Å; I154-I216 HydrophobicContact CG1-CG2 3.92Å; L210-I216 HydrophobicContact CD1-CD1 4.3Å; L210-I216 HydrophobicContact CD2-CD1 4.36Å; L210-I216 HydrophobicContact CD2-CG1 3.77Å; I216-I218 HydrophobicContact CG2-CD1 4.17Å; I216-I218 HydrophobicContact CG2-CG1 4.05Å; I216-T228 HydrophobicContact CB-CG2 4.42Å; I216-T228 HydrophobicContact CG2-CG2 3.89Å; I216-T228 WeakPolarHBondContact O-CB 3.38Å; I216-T228 PolarHBondContact O-OG1 2.83Å; I216-F252 HydrophobicContact CD1-CE1 3.9Å; I216-F252 HydrophobicContact CD1-CZ 3.93Å
217I94.6Very high92.1Very high131 Ų13182.7 Ų82.767%0.67243%0.426SS*.  trans-109.6111-179-57.9174.8000108.5K215K215-I217 HydrophobicContact CB-CG1 4.48Å; K215-I217 PolarHBondContact O-N 2.74Å
218I95Very high92Very high21 Ų2182.5 Ų82.511%0.10843%0.427CS..  trans-117.7125.2173.6-58.2-177.6000107.5A149 F150 H153 I216 L226 T228A149-I218 HydrophobicContact CB-CG2 4.01Å; F150-I218 HydrophobicContact CD1-CD1 3.36Å; F150-I218 HydrophobicContact CE1-CD1 3.55Å; F150-I218 HydrophobicContact CG-CD1 4.09Å; F150-I218 HydrophobicContact CZ-CD1 4.4Å; H153-I218 HydrophobicContact CB-CD1 4.48Å; H153-I218 HydrophobicContact CB-CG1 3.8Å; I216-I218 HydrophobicContact CG2-CD1 4.17Å; I216-I218 HydrophobicContact CG2-CG1 4.05Å; I218-L226 HydrophobicContact CD1-CD1 4.09Å; I218-L226 HydrophobicContact CG2-CD1 4.34Å; I218-T228 HydrophobicContact CB-CG2 4.23Å; I218-T228 HydrophobicContact CD1-CG2 3.92Å; I218-T228 HydrophobicContact CG1-CG2 3.97Å
219P90.5Very high91.9Very high72 Ų7280 Ų8047%0.46842%0.422SS..  trans-56.3150.4173.9-23.533.7000111.5H153 F221H153-P219 VanDerWaalsContact CE1-CD 3.48Å; H153-P219 WeakPolarHBondContact CE1-CD 3.46Å; P219-F221 PolarHBondContact O-N 2.8Å
220P86.1Confident91.9Very high101 Ų10178.9 Ų78.966%0.65642%0.42SS*.  trans-49.1135.6173.4-26.734.5000111.5I225P220-I225 HydrophobicContact CB-CG1 4.33Å; P220-I225 HydrophobicContact CG-CG1 4.45Å
221F72Confident91.9Very high56 Ų5678.5 Ų78.525%0.24642%0.418CS..BIsolated β-bridgetrans-118.2119.6-174.5-173.1-94.4000110.1E145 P219 N223 Y224E145-F221 HydrophobicContact CB-CE1 3.57Å; E145-F221 HydrophobicContact CB-CE2 4.3Å; E145-F221 HydrophobicContact CB-CZ 3.41Å; E145-F221 VanDerWaalsContact CB-CZ 3.41Å; E145-F221 HydrophobicContact CG-CD1 4.38Å; E145-F221 HydrophobicContact CG-CE1 3.52Å; E145-F221 HydrophobicContact CG-CZ 3.94Å; P219-F221 PolarHBondContact O-N 2.8Å; F221-N223 PolarHBondContact O-N 3.33Å; F221-Y224 HydrophobicContact CD1-CE1 4.39Å; F221-Y224 PolarHBondContact N-O 3.22Å; F221-Y224 VanDerWaalsContact N-O 3.09Å; F221-Y224 PolarHBondContact O-N 3.45Å; F221-Y224 VanDerWaalsContact O-N 3.14Å
222K75.9Confident91.9Very high143 Ų14374.8 Ų74.862%0.62240%0.397SS*.THydrogen-bonded Turntrans51.1-113.6-171.2-62.5172.9-179.7170.80110.3E145E145-K222 IonicContact OE1-NZ 3.59Å; E145-K222 PolarHBondContact OE1-NZ 2.96Å
223N79.7Confident91.9Very high167 Ų16774.8 Ų74.889%0.89339%0.393SS*.THydrogen-bonded Turntrans-109.311.8-174.4-63.8-15.7000113.5F221F221-N223 PolarHBondContact O-N 3.33Å
224Y85.4Confident92Very high69 Ų6972.3 Ų72.327%0.27137%0.366SS..BIsolated β-bridgetrans-146.4167.6-178.270.4-78.7000113.1E146 F221 L226 W315E146-Y224 WeakPolarHBondContact CG-OH 3.29Å; E146-Y224 VanDerWaalsContact OE1-CE2 3.28Å; E146-Y224 WeakPolarHBondContact OE1-CE2 3.25Å; E146-Y224 PolarHBondContact OE1-OH 2.88Å; F221-Y224 HydrophobicContact CD1-CE1 4.39Å; F221-Y224 PolarHBondContact N-O 3.22Å; F221-Y224 VanDerWaalsContact N-O 3.09Å; F221-Y224 PolarHBondContact O-N 3.45Å; F221-Y224 VanDerWaalsContact O-N 3.14Å; Y224-L226 HydrophobicContact CE2-CD2 3.84Å; Y224-W315 AromaticContact CE1-CH2 3.9Å; Y224-W315 HydrophobicContact CE1-CH2 3.9Å; Y224-W315 HydrophobicContact CE1-CZ3 4.15Å; Y224-W315 HydrophobicContact CE2-CZ3 4.36Å; Y224-W315 AromaticContact CZ-CH2 3.79Å; Y224-W315 AromaticContact CZ-CZ3 3.71Å; Y224-W315 VanDerWaalsContact OH-CH2 3.26Å; Y224-W315 WeakPolarHBondContact OH-CH2 3.44Å; Y224-W315 VanDerWaalsContact OH-CZ3 3.3Å; Y224-W315 WeakPolarHBondContact OH-CZ3 3.4Å
225I90.7Very high92.1Very high129 Ų12967.1 Ų67.166%0.66234%0.342SS*.  trans-116.4134.3-178.8-60.7173.7000107.6P220P220-I225 HydrophobicContact CB-CG1 4.33Å; P220-I225 HydrophobicContact CG-CG1 4.45Å
226L92.8Very high92.2Very high17 Ų1763.5 Ų63.59%0.08933%0.328CS..  trans-76.2134.5172.6-65.4169.8000109.3E146 F150 I218 Y224 T228E146-L226 HydrophobicContact CB-CD1 4.42Å; E146-L226 HydrophobicContact CB-CD2 4.33Å; E146-L226 VanDerWaalsContact CD-CD2 3.42Å; E146-L226 HydrophobicContact CG-CD2 3.84Å; F150-L226 HydrophobicContact CE1-CD1 4.32Å; F150-L226 HydrophobicContact CE2-CD1 3.96Å; F150-L226 HydrophobicContact CZ-CB 4.25Å; F150-L226 HydrophobicContact CZ-CD1 3.76Å; F150-L226 HydrophobicContact CZ-CD2 4.36Å; F150-L226 HydrophobicContact CZ-CG 4.35Å; I218-L226 HydrophobicContact CD1-CD1 4.09Å; I218-L226 HydrophobicContact CG2-CD1 4.34Å; Y224-L226 HydrophobicContact CE2-CD2 3.84Å; L226-T228 HydrophobicContact CB-CG2 4.18Å; L226-T228 PolarHBondContact O-N 3.08Å
227D94.6Very high92.3Very high87 Ų8767 Ų6747%0.46534%0.341SS..  trans-74.473.4176.2-175.3-0.6000110.8E229 T230 L231D227-E229 VanDerWaalsContact C-N 3.28Å; D227-E229 PolarHBondContact O-N 3.18Å; D227-T230 VanDerWaalsContact CG-CB 3.46Å; D227-T230 VanDerWaalsContact CG-OG1 3.24Å; D227-T230 WeakPolarHBondContact OD1-CB 3.34Å; D227-T230 PolarHBondContact OD1-N 3.08Å; D227-T230 VanDerWaalsContact OD1-N 3.08Å; D227-T230 PolarHBondContact OD1-OG1 3.43Å; D227-T230 WeakPolarHBondContact OD2-CB 3.34Å; D227-T230 PolarHBondContact OD2-OG1 2.52Å; D227-L231 VanDerWaalsContact O-CG 3.25Å; D227-L231 WeakPolarHBondContact O-CG 3.46Å; D227-L231 PolarHBondContact O-N 2.8Å
228T96.8Very high92.5Very high28 Ų2860.8 Ų60.817%0.17231%0.309CS..Hα-helixtrans-72.7-21.3-176.1590000113.2F150 I216 I218 L226 G232F150-T228 HydrophobicContact CE1-CG2 4.33Å; I216-T228 HydrophobicContact CB-CG2 4.42Å; I216-T228 HydrophobicContact CG2-CG2 3.89Å; I216-T228 WeakPolarHBondContact O-CB 3.38Å; I216-T228 PolarHBondContact O-OG1 2.83Å; I218-T228 HydrophobicContact CB-CG2 4.23Å; I218-T228 HydrophobicContact CD1-CG2 3.92Å; I218-T228 HydrophobicContact CG1-CG2 3.97Å; L226-T228 HydrophobicContact CB-CG2 4.18Å; L226-T228 PolarHBondContact O-N 3.08Å; T228-G232 PolarHBondContact O-N 2.93Å
229E96.7Very high92.7Very high105 Ų10559.8 Ų59.849%0.49130%0.304SS..Hα-helixtrans-69.6-55.6176.2-177.7157.4-129.900110.5K215 D227 L231 G232 E233K215-E229 IonicContact NZ-OE1 3.29Å; K215-E229 PolarHBondContact NZ-OE1 3.15Å; D227-E229 VanDerWaalsContact C-N 3.28Å; D227-E229 PolarHBondContact O-N 3.18Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.41Å; E229-G232 PolarHBondContact O-N 2.79Å; E229-G232 VanDerWaalsContact O-N 3.1Å; E229-E233 PolarHBondContact O-N 3.09Å; E229-E233 VanDerWaalsContact O-N 3.09Å
230T97.8Very high93.1Very high17 Ų1760 Ų6010%0.10430%0.304CS..Hα-helixtrans-56.7-45.1174.4-66.20000111.1D227 G232 E233 V234 Y256 K258D227-T230 VanDerWaalsContact CG-CB 3.46Å; D227-T230 VanDerWaalsContact CG-OG1 3.24Å; D227-T230 WeakPolarHBondContact OD1-CB 3.34Å; D227-T230 PolarHBondContact OD1-N 3.08Å; D227-T230 VanDerWaalsContact OD1-N 3.08Å; D227-T230 PolarHBondContact OD1-OG1 3.43Å; D227-T230 WeakPolarHBondContact OD2-CB 3.34Å; D227-T230 PolarHBondContact OD2-OG1 2.52Å; T230-G232 VanDerWaalsContact C-N 3.28Å; T230-G232 PolarHBondContact O-N 2.93Å; T230-E233 PolarHBondContact O-N 2.9Å; T230-V234 HydrophobicContact CG2-CG2 4.18Å; T230-V234 VanDerWaalsContact O-CG2 3.29Å; T230-V234 WeakPolarHBondContact O-CG2 3.46Å; T230-V234 PolarHBondContact O-N 2.72Å; T230-Y256 HydrophobicContact CG2-CD1 4.34Å; T230-Y256 HydrophobicContact CG2-CE1 3.46Å; T230-Y256 VanDerWaalsContact CG2-CE1 3.46Å; T230-K258 VanDerWaalsContact CG2-NZ 3.28Å; T230-K258 PolarHBondContact OG1-NZ 2.78Å
231L98.3Very high93.6Very high7 Ų757.5 Ų57.54%0.03729%0.285CS..Hα-helixtrans-64.5-33.2-179.4-68.9173.1000112.3F150 D227 E229 F235 L251 F252 Y256F150-L231 HydrophobicContact CE1-CD1 3.69Å; F150-L231 HydrophobicContact CE2-CD1 4.36Å; F150-L231 HydrophobicContact CZ-CD1 3.36Å; D227-L231 VanDerWaalsContact O-CG 3.25Å; D227-L231 WeakPolarHBondContact O-CG 3.46Å; D227-L231 PolarHBondContact O-N 2.8Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.41Å; L231-F235 WeakPolarHBondContact O-CB 3.49Å; L231-F235 PolarHBondContact O-N 3.12Å; L231-L251 HydrophobicContact CD2-CD1 3.91Å; L231-L251 HydrophobicContact CD2-CD2 4.45Å; L231-L251 HydrophobicContact CD2-CG 4.1Å; L231-L251 WeakPolarHBondContact O-CD2 3.34Å; L231-F252 HydrophobicContact CB-CE1 4.39Å; L231-Y256 HydrophobicContact CD2-CD1 4.03Å; L231-Y256 HydrophobicContact CD2-CG 3.91Å
232G98.5Very high94.9Very high8 Ų856.5 Ų56.58%0.08228%0.28CS..Hα-helixtrans-64.4-44.8173.100000112.4T228 E229 T230 F235 I236T228-G232 PolarHBondContact O-N 2.93Å; E229-G232 PolarHBondContact O-N 2.79Å; E229-G232 VanDerWaalsContact O-N 3.1Å; T230-G232 VanDerWaalsContact C-N 3.28Å; T230-G232 PolarHBondContact O-N 2.93Å; G232-F235 PolarHBondContact O-N 3.46Å; G232-I236 WeakPolarHBondContact O-CG1 3.45Å; G232-I236 PolarHBondContact O-N 3.23Å
233E98.4Very high96Very high121 Ų12153.9 Ų53.957%0.56528%0.278SS*.Hα-helixtrans-62.5-45.2175.9-66.6177.5173.400111.9E229 T230 F235 I236 R237E229-E233 PolarHBondContact O-N 3.09Å; E229-E233 VanDerWaalsContact O-N 3.09Å; T230-E233 PolarHBondContact O-N 2.9Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 PolarHBondContact O-N 3.31Å; E233-I236 PolarHBondContact O-N 2.74Å; E233-R237 PolarHBondContact O-N 3.4Å
234V98.7Very high96.8Very high5 Ų546.5 Ų46.53%0.0324%0.241CC..Hα-helixtrans-62.8-41.1176.61760000110.5T230 R237 L238 L251 Y256 L276T230-V234 HydrophobicContact CG2-CG2 4.18Å; T230-V234 VanDerWaalsContact O-CG2 3.29Å; T230-V234 WeakPolarHBondContact O-CG2 3.46Å; T230-V234 PolarHBondContact O-N 2.72Å; V234-R237 PolarHBondContact O-N 3.36Å; V234-L238 HydrophobicContact CG1-CD1 4.23Å; V234-L238 HydrophobicContact CG1-CG 4.33Å; V234-L238 WeakPolarHBondContact O-CG 3.15Å; V234-L238 PolarHBondContact O-N 2.65Å; V234-L251 HydrophobicContact CB-CD1 4.49Å; V234-L251 HydrophobicContact CB-CD2 4.02Å; V234-L251 HydrophobicContact CG1-CD1 3.75Å; V234-L251 HydrophobicContact CG1-CD2 3.82Å; V234-L251 HydrophobicContact CG1-CG 4.45Å; V234-Y256 HydrophobicContact CG1-CD2 4.5Å; V234-Y256 HydrophobicContact CG1-CE2 4.24Å; V234-Y256 HydrophobicContact CG2-CE2 3.72Å; V234-L276 HydrophobicContact CG1-CD1 3.86Å
235F98.9Very high97.5Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-60-46.5175.2-175.7-86.7000111.8V203 L206 K207 L210 L231 G232 E233 R237 L238 A239 C248 F249 L251 F252V203-F235 HydrophobicContact CB-CZ 4.49Å; V203-F235 HydrophobicContact CG1-CZ 4.11Å; L206-F235 HydrophobicContact CB-CE1 3.73Å; L206-F235 HydrophobicContact CB-CZ 3.91Å; L206-F235 HydrophobicContact CD2-CD1 4.04Å; L206-F235 HydrophobicContact CD2-CD2 4.07Å; L206-F235 HydrophobicContact CD2-CE1 3.71Å; L206-F235 HydrophobicContact CD2-CE2 3.72Å; L206-F235 HydrophobicContact CD2-CG 4.22Å; L206-F235 HydrophobicContact CD2-CZ 3.54Å; L206-F235 HydrophobicContact CG-CD1 3.91Å; L206-F235 HydrophobicContact CG-CE1 3.53Å; L206-F235 HydrophobicContact CG-CE2 4.47Å; L206-F235 HydrophobicContact CG-CZ 3.85Å; K207-F235 HydrophobicContact CB-CE1 4.19Å; L210-F235 HydrophobicContact CD1-CB 4.32Å; L210-F235 HydrophobicContact CD1-CD1 3.96Å; L210-F235 HydrophobicContact CD1-CG 4.41Å; L231-F235 WeakPolarHBondContact O-CB 3.49Å; L231-F235 PolarHBondContact O-N 3.12Å; G232-F235 PolarHBondContact O-N 3.46Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 PolarHBondContact O-N 3.31Å; F235-R237 VanDerWaalsContact C-N 3.3Å; F235-R237 PolarHBondContact O-N 3.5Å; F235-L238 PolarHBondContact O-N 2.98Å; F235-A239 HydrophobicContact CD1-CB 4.41Å; F235-A239 HydrophobicContact CE1-CB 4.03Å; F235-A239 HydrophobicContact CZ-CB 4.47Å; F235-A239 WeakPolarHBondContact O-CB 3.36Å; F235-A239 PolarHBondContact O-N 3.28Å; F235-C248 HydrophobicContact CD2-CB 4.34Å; F235-C248 HydrophobicContact CE2-CB 3.76Å; F235-C248 HydrophobicContact CZ-CB 4.21Å; F235-F249 AromaticContact CE2-CD1 3.99Å; F235-F249 HydrophobicContact CE2-CD1 3.99Å; F235-F249 HydrophobicContact CE2-CE1 4.05Å; F235-F249 HydrophobicContact CZ-CE1 4.22Å; F235-F249 HydrophobicContact CZ-CZ 4.49Å; F235-L251 HydrophobicContact CB-CD2 3.9Å; F235-F252 HydrophobicContact CB-CZ 4.22Å; F235-F252 AromaticContact CD2-CE2 3.51Å; F235-F252 HydrophobicContact CD2-CE2 3.51Å; F235-F252 AromaticContact CD2-CZ 3.7Å; F235-F252 HydrophobicContact CD2-CZ 3.7Å; F235-F252 AromaticContact CE2-CE2 3.87Å; F235-F252 HydrophobicContact CE2-CE2 3.87Å; F235-F252 HydrophobicContact CE2-CZ 4.45Å; F235-F252 HydrophobicContact CG-CE2 4.37Å; F235-F252 HydrophobicContact CG-CZ 4.15Å
236I98.8Very high97.8Very high45 Ų4538.9 Ų38.923%0.23121%0.207CC..Hα-helixtrans-58.3-44.8176.5-67.8166.4000110.4L210 G232 E233 A239 T240L210-I236 HydrophobicContact CB-CD1 3.72Å; L210-I236 HydrophobicContact CB-CG1 3.89Å; L210-I236 HydrophobicContact CD1-CG1 4.38Å; G232-I236 WeakPolarHBondContact O-CG1 3.45Å; G232-I236 PolarHBondContact O-N 3.23Å; E233-I236 PolarHBondContact O-N 2.74Å; I236-A239 PolarHBondContact O-N 2.86Å; I236-T240 VanDerWaalsContact O-CB 3.3Å; I236-T240 WeakPolarHBondContact O-CB 3.47Å; I236-T240 PolarHBondContact O-N 3.48Å; I236-T240 PolarHBondContact O-OG1 2.71Å
237R98.5Very high98.1Very high77 Ų7738 Ų3829%0.29120%0.202SC..Hα-helixtrans-60-50.2178-171.7172.364.2-164.9-2.9111.1E136 E233 V234 F235 A239 T240 D241E136-R237 VanDerWaalsContact CD-NH2 3.33Å; E136-R237 IonicContact OE1-CZ 3.92Å; E136-R237 IonicContact OE1-NH1 2.7Å; E136-R237 PolarHBondContact OE1-NH1 2.94Å; E136-R237 IonicContact OE1-NH2 2.7Å; E136-R237 PolarHBondContact OE1-NH2 3.15Å; E136-R237 IonicContact OE2-CZ 2.74Å; E136-R237 IonicContact OE2-NH1 2.7Å; E136-R237 IonicContact OE2-NH2 2.81Å; E136-R237 PolarHBondContact OE2-NH2 2.65Å; E233-R237 PolarHBondContact O-N 3.4Å; V234-R237 PolarHBondContact O-N 3.36Å; F235-R237 VanDerWaalsContact C-N 3.3Å; F235-R237 PolarHBondContact O-N 3.5Å; R237-A239 PolarHBondContact O-N 3.34Å; R237-T240 WeakPolarHBondContact O-CB 3.42Å; R237-T240 PolarHBondContact O-N 3.15Å; R237-T240 VanDerWaalsContact O-N 3.16Å; R237-D241 PolarHBondContact O-N 2.91Å
238L98.8Very high98.3Very high2 Ų233.9 Ų33.91%0.0118%0.18CC..Hα-helixtrans-59.3-47.7177.4-69.6-178.3000112.6A96 V234 F235 T240 D241 Y242 C248 L251 L276 L295A96-L238 HydrophobicContact CB-CD2 3.51Å; V234-L238 HydrophobicContact CG1-CD1 4.23Å; V234-L238 HydrophobicContact CG1-CG 4.33Å; V234-L238 WeakPolarHBondContact O-CG 3.15Å; V234-L238 PolarHBondContact O-N 2.65Å; F235-L238 PolarHBondContact O-N 2.98Å; L238-T240 PolarHBondContact O-N 2.91Å; L238-D241 PolarHBondContact O-N 3.28Å; L238-Y242 WeakPolarHBondContact O-CA 3.35Å; L238-Y242 PolarHBondContact O-N 2.94Å; L238-C248 HydrophobicContact CB-CB 4.48Å; L238-L251 HydrophobicContact CD1-CB 4.29Å; L238-L251 HydrophobicContact CD1-CD2 4.38Å; L238-L276 HydrophobicContact CD2-CD2 4.04Å; L238-L295 HydrophobicContact CD1-CD1 4.42Å; L238-L295 HydrophobicContact CD2-CD1 3.86Å; L238-L295 HydrophobicContact CD2-CD2 4.19Å
239A98.7Very high98.4Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-72.9-12.2179.900000113.3V203 K207 F235 I236 R237 P243V203-A239 HydrophobicContact CG1-CB 3.69Å; K207-A239 HydrophobicContact CB-CB 4.01Å; K207-A239 HydrophobicContact CD-CB 3.82Å; K207-A239 HydrophobicContact CG-CB 4.08Å; K207-A239 PolarHBondContact NZ-O 3.02Å; K207-A239 VanDerWaalsContact NZ-O 3.1Å; F235-A239 HydrophobicContact CD1-CB 4.41Å; F235-A239 HydrophobicContact CE1-CB 4.03Å; F235-A239 HydrophobicContact CZ-CB 4.47Å; F235-A239 WeakPolarHBondContact O-CB 3.36Å; F235-A239 PolarHBondContact O-N 3.28Å; I236-A239 PolarHBondContact O-N 2.86Å; R237-A239 PolarHBondContact O-N 3.34Å; A239-P243 WeakPolarHBondContact O-CA 3.5Å
240T98.5Very high98.5Very high76 Ų7627.6 Ų27.647%0.46615%0.149SC..Hα-helixtrans-84-45.4170.1-60.50000110.9K207 I236 R237 L238K207-T240 WeakPolarHBondContact CE-OG1 3.14Å; I236-T240 VanDerWaalsContact O-CB 3.3Å; I236-T240 WeakPolarHBondContact O-CB 3.47Å; I236-T240 PolarHBondContact O-N 3.48Å; I236-T240 PolarHBondContact O-OG1 2.71Å; R237-T240 WeakPolarHBondContact O-CB 3.42Å; R237-T240 PolarHBondContact O-N 3.15Å; R237-T240 VanDerWaalsContact O-N 3.16Å; L238-T240 PolarHBondContact O-N 2.91Å
241D97.9Very high98.5Very high49 Ų4926.8 Ų26.826%0.26214%0.144SC..Hα-helixtrans-73.5-31.8178.5-73.4-32000112.9K95 R237 L238K95-D241 HydrophobicContact CD-CB 4.35Å; R237-D241 PolarHBondContact O-N 2.91Å; L238-D241 PolarHBondContact O-N 3.28Å
242Y98.2Very high98.5Very high34 Ų3426.4 Ų26.413%0.13314%0.142CC..SBendtrans-131.869.3-177.6-56.9-81000111.6A96 L238 G244 D245 L295A96-Y242 HydrophobicContact CB-CE2 4.13Å; A96-Y242 PolarHBondContact O-OH 2.99Å; L238-Y242 WeakPolarHBondContact O-CA 3.35Å; L238-Y242 PolarHBondContact O-N 2.94Å; Y242-G244 PolarHBondContact O-N 3.02Å; Y242-D245 WeakPolarHBondContact O-CB 3.47Å; Y242-D245 PolarHBondContact O-N 2.81Å; Y242-D245 VanDerWaalsContact O-N 3.12Å; Y242-L295 HydrophobicContact CD2-CB 4.16Å; Y242-L295 HydrophobicContact CD2-CD2 3.96Å; Y242-L295 VanDerWaalsContact CE1-C 3.41Å; Y242-L295 VanDerWaalsContact CE1-O 3.25Å; Y242-L295 WeakPolarHBondContact CE1-O 3.45Å; Y242-L295 HydrophobicContact CE2-CB 4.24Å; Y242-L295 HydrophobicContact CG-CB 4.38Å; Y242-L295 HydrophobicContact CG-CD2 4.21Å
243P98.3Very high98.5Very high89 Ų8926 Ų2658%0.57814%0.138SC*.THydrogen-bonded Turntrans-54.6125.3-178.3-24.834.8000112A239 D245A239-P243 WeakPolarHBondContact O-CA 3.5Å; P243-D245 VanDerWaalsContact C-N 3.25Å; P243-D245 PolarHBondContact O-N 3.3Å
244G98.3Very high98.6Very high11 Ų1120.3 Ų20.311%0.11311%0.111CC..THydrogen-bonded Turntrans73.83.1177.200000116.5Y242Y242-G244 PolarHBondContact O-N 3.02Å
245D98.5Very high98.5Very high18 Ų1820.5 Ų20.510%0.09611%0.112CC..  trans-74.1131.3-178.1-166-66.6000111.9Y242 P243 G247 C248 G294 L295 K300Y242-D245 WeakPolarHBondContact O-CB 3.47Å; Y242-D245 PolarHBondContact O-N 2.81Å; Y242-D245 VanDerWaalsContact O-N 3.12Å; P243-D245 VanDerWaalsContact C-N 3.25Å; P243-D245 PolarHBondContact O-N 3.3Å; D245-G247 PolarHBondContact O-N 3.09Å; D245-G247 VanDerWaalsContact O-N 3.09Å; D245-G247 WeakPolarHBondContact OD1-CA 3.21Å; D245-G247 PolarHBondContact OD1-N 3.01Å; D245-C248 WeakPolarHBondContact O-CB 3.43Å; D245-C248 PolarHBondContact O-N 3.03Å; D245-C248 PolarHBondContact O-SG 2.89Å; D245-G294 WeakPolarHBondContact OD1-CA 3.31Å; D245-L295 VanDerWaalsContact CG-N 3.29Å; D245-L295 PolarHBondContact OD1-N 3.47Å; D245-L295 PolarHBondContact OD2-N 3.06Å; D245-K300 IonicContact OD1-NZ 3.68Å; D245-K300 IonicContact OD2-NZ 3.53Å; D245-K300 PolarHBondContact OD2-NZ 3.06Å
246V98.4Very high98.5Very high20 Ų2022.3 Ų22.312%0.12112%0.119CC..THydrogen-bonded Turntrans-55.2-27.6177.469.60000113.6L191 M192 V199 C248 F249L191-V246 HydrophobicContact CD1-CG2 3.76Å; L191-V246 HydrophobicContact CG-CG2 3.77Å; M192-V246 HydrophobicContact CE-CG1 3.77Å; M192-V246 HydrophobicContact SD-CG1 4.11Å; M192-V246 HydrophobicContact SD-CG2 4Å; V199-V246 HydrophobicContact CG1-CB 3.83Å; V199-V246 HydrophobicContact CG1-CG2 4.09Å; V199-V246 HydrophobicContact CG2-CG2 4.39Å; V246-C248 PolarHBondContact O-N 3.47Å; V246-F249 PolarHBondContact O-N 2.93Å; V246-F249 VanDerWaalsContact O-N 3.16Å
247G98.3Very high98.5Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-60.5-24.8176.100000113.8D245 F249 S250D245-G247 PolarHBondContact O-N 3.09Å; D245-G247 VanDerWaalsContact O-N 3.09Å; D245-G247 WeakPolarHBondContact OD1-CA 3.21Å; D245-G247 PolarHBondContact OD1-N 3.01Å; G247-F249 VanDerWaalsContact C-N 3.29Å; G247-F249 PolarHBondContact O-N 3.32Å; G247-S250 VanDerWaalsContact O-CB 3.31Å; G247-S250 WeakPolarHBondContact O-CB 3.49Å; G247-S250 PolarHBondContact O-N 2.88Å; G247-S250 VanDerWaalsContact O-N 3.08Å
248C98.8Very high98.5Very high0 Ų022.1 Ų22.10%012%0.119CC..Hα-helixtrans-60.5-40.3175.8-59.20000111.4V203 F235 L238 D245 V246 S250 L251V203-C248 HydrophobicContact CG1-CB 4.14Å; V203-C248 HydrophobicContact CG2-CB 4.2Å; F235-C248 HydrophobicContact CD2-CB 4.34Å; F235-C248 HydrophobicContact CE2-CB 3.76Å; F235-C248 HydrophobicContact CZ-CB 4.21Å; L238-C248 HydrophobicContact CB-CB 4.48Å; D245-C248 WeakPolarHBondContact O-CB 3.43Å; D245-C248 PolarHBondContact O-N 3.03Å; D245-C248 PolarHBondContact O-SG 2.89Å; V246-C248 PolarHBondContact O-N 3.47Å; C248-S250 VanDerWaalsContact C-N 3.31Å; C248-S250 PolarHBondContact O-N 3.35Å; C248-L251 VanDerWaalsContact O-CB 3.28Å; C248-L251 WeakPolarHBondContact O-CB 3.46Å; C248-L251 PolarHBondContact O-N 2.76Å
249F98.8Very high98.5Very high0 Ų022.1 Ų22.10%012%0.119CC..Hα-helixtrans-75.1-19.4177.2-77.4-57.4000113.4E156 L157 I160 L191 V199 L202 V203 L206 F235 V246 G247 L251 F252E156-F249 HydrophobicContact CB-CE1 4.36Å; E156-F249 HydrophobicContact CB-CZ 4.05Å; L157-F249 HydrophobicContact CB-CD1 4.15Å; L157-F249 HydrophobicContact CB-CE1 4.11Å; L157-F249 HydrophobicContact CD1-CB 4.19Å; L157-F249 HydrophobicContact CD1-CD1 3.94Å; L157-F249 HydrophobicContact CD1-CG 4.16Å; I160-F249 HydrophobicContact CD1-CD2 3.56Å; I160-F249 HydrophobicContact CD1-CE2 3.38Å; I160-F249 HydrophobicContact CD1-CG 4.42Å; I160-F249 HydrophobicContact CD1-CZ 4.13Å; L191-F249 HydrophobicContact CD1-CB 3.8Å; L191-F249 HydrophobicContact CD1-CD2 4.24Å; L191-F249 HydrophobicContact CD1-CG 4.35Å; L191-F249 HydrophobicContact CD2-CB 3.83Å; L191-F249 HydrophobicContact CG-CB 4.47Å; V199-F249 HydrophobicContact CG1-CD2 4.44Å; L202-F249 HydrophobicContact CB-CE2 4.11Å; L202-F249 HydrophobicContact CB-CZ 4.12Å; V203-F249 HydrophobicContact CB-CE2 4.33Å; V203-F249 HydrophobicContact CG2-CD2 3.66Å; V203-F249 HydrophobicContact CG2-CE2 3.39Å; V203-F249 HydrophobicContact CG2-CZ 4.15Å; L206-F249 HydrophobicContact CD2-CE1 3.76Å; F235-F249 AromaticContact CE2-CD1 3.99Å; F235-F249 HydrophobicContact CE2-CD1 3.99Å; F235-F249 HydrophobicContact CE2-CE1 4.05Å; F235-F249 HydrophobicContact CZ-CE1 4.22Å; F235-F249 HydrophobicContact CZ-CZ 4.49Å; V246-F249 PolarHBondContact O-N 2.93Å; V246-F249 VanDerWaalsContact O-N 3.16Å; G247-F249 VanDerWaalsContact C-N 3.29Å; G247-F249 PolarHBondContact O-N 3.32Å; F249-L251 PolarHBondContact O-N 3.31Å; F249-L251 VanDerWaalsContact O-N 3.16Å; F249-F252 HydrophobicContact CD1-CD2 4.06Å; F249-F252 HydrophobicContact CD1-CE2 4.05Å; F249-F252 PolarHBondContact O-N 2.92Å; F249-F252 VanDerWaalsContact O-N 3.12Å
250S98.7Very high98.5Very high0 Ų025.5 Ų25.50%014%0.143CC..Hα-helixtrans-63-19.5174.3-61.60000112.5I99 Y188 G247 C248 F252 F253 F254I99-S250 VanDerWaalsContact CD1-CB 3.47Å; Y188-S250 WeakPolarHBondContact CE2-OG 3.49Å; Y188-S250 PolarHBondContact OH-OG 2.78Å; G247-S250 VanDerWaalsContact O-CB 3.31Å; G247-S250 WeakPolarHBondContact O-CB 3.49Å; G247-S250 PolarHBondContact O-N 2.88Å; G247-S250 VanDerWaalsContact O-N 3.08Å; C248-S250 VanDerWaalsContact C-N 3.31Å; C248-S250 PolarHBondContact O-N 3.35Å; S250-F252 PolarHBondContact O-N 2.79Å; S250-F253 PolarHBondContact O-N 2.96Å; S250-F254 PolarHBondContact O-N 2.69Å
251L98.8Very high98.5Very high0 Ų025.5 Ų25.50%014%0.144CC..THydrogen-bonded Turntrans-52.4-35.7171.2-179.363.7000113.2M138 R142 L231 V234 F235 L238 C248 F249 F253 Y256M138-L251 HydrophobicContact CG-CD1 4.27Å; M138-L251 VanDerWaalsContact SD-CA 3.52Å; M138-L251 HydrophobicContact SD-CB 4Å; M138-L251 HydrophobicContact SD-CD1 3.8Å; R142-L251 PolarHBondContact NH2-O 3.03Å; L231-L251 HydrophobicContact CD2-CD1 3.91Å; L231-L251 HydrophobicContact CD2-CD2 4.45Å; L231-L251 HydrophobicContact CD2-CG 4.1Å; L231-L251 WeakPolarHBondContact O-CD2 3.34Å; V234-L251 HydrophobicContact CB-CD1 4.49Å; V234-L251 HydrophobicContact CB-CD2 4.02Å; V234-L251 HydrophobicContact CG1-CD1 3.75Å; V234-L251 HydrophobicContact CG1-CD2 3.82Å; V234-L251 HydrophobicContact CG1-CG 4.45Å; F235-L251 HydrophobicContact CB-CD2 3.9Å; L238-L251 HydrophobicContact CD1-CB 4.29Å; L238-L251 HydrophobicContact CD1-CD2 4.38Å; C248-L251 VanDerWaalsContact O-CB 3.28Å; C248-L251 WeakPolarHBondContact O-CB 3.46Å; C248-L251 PolarHBondContact O-N 2.76Å; F249-L251 PolarHBondContact O-N 3.31Å; F249-L251 VanDerWaalsContact O-N 3.16Å; L251-F253 VanDerWaalsContact C-N 3.34Å; L251-Y256 HydrophobicContact CD1-CD2 4.24Å
252F98.6Very high98.4Very high0 Ų023.9 Ų23.90%014%0.139CC..THydrogen-bonded Turntrans-86.7-5.9-179.4-53.6-61.6000113.3R142 F150 I154 L157 L206 I216 L231 F235 F249 S250R142-F252 WeakPolarHBondContact CD-O 3.45Å; F150-F252 HydrophobicContact CB-CB 3.87Å; F150-F252 HydrophobicContact CB-CD1 4.4Å; F150-F252 HydrophobicContact CB-CG 4.32Å; F150-F252 AromaticContact CD1-CD1 3.67Å; F150-F252 HydrophobicContact CD1-CD1 3.67Å; F150-F252 HydrophobicContact CD1-CE1 4.32Å; F150-F252 HydrophobicContact CD1-CG 4.4Å; F150-F252 HydrophobicContact CD2-CB 4.16Å; F150-F252 HydrophobicContact CD2-CD1 4.49Å; F150-F252 HydrophobicContact CE1-CD1 4.05Å; F150-F252 HydrophobicContact CG-CB 3.95Å; F150-F252 AromaticContact CG-CD1 3.94Å; F150-F252 HydrophobicContact CG-CD1 3.94Å; F150-F252 HydrophobicContact CG-CG 4.28Å; I154-F252 HydrophobicContact CD1-CD1 3.73Å; I154-F252 HydrophobicContact CD1-CD2 3.97Å; I154-F252 HydrophobicContact CD1-CE1 3.58Å; I154-F252 HydrophobicContact CD1-CE2 3.81Å; I154-F252 HydrophobicContact CD1-CG 3.93Å; I154-F252 HydrophobicContact CD1-CZ 3.62Å; L157-F252 HydrophobicContact CD2-CB 3.87Å; L157-F252 HydrophobicContact CD2-CD2 4.09Å; L157-F252 HydrophobicContact CD2-CG 4.25Å; L206-F252 HydrophobicContact CD2-CE2 3.96Å; L206-F252 HydrophobicContact CD2-CZ 4.2Å; I216-F252 HydrophobicContact CD1-CE1 3.9Å; I216-F252 HydrophobicContact CD1-CZ 3.93Å; L231-F252 HydrophobicContact CB-CE1 4.39Å; F235-F252 HydrophobicContact CB-CZ 4.22Å; F235-F252 AromaticContact CD2-CE2 3.51Å; F235-F252 HydrophobicContact CD2-CE2 3.51Å; F235-F252 AromaticContact CD2-CZ 3.7Å; F235-F252 HydrophobicContact CD2-CZ 3.7Å; F235-F252 AromaticContact CE2-CE2 3.87Å; F235-F252 HydrophobicContact CE2-CE2 3.87Å; F235-F252 HydrophobicContact CE2-CZ 4.45Å; F235-F252 HydrophobicContact CG-CE2 4.37Å; F235-F252 HydrophobicContact CG-CZ 4.15Å; F249-F252 HydrophobicContact CD1-CD2 4.06Å; F249-F252 HydrophobicContact CD1-CE2 4.05Å; F249-F252 PolarHBondContact O-N 2.92Å; F249-F252 VanDerWaalsContact O-N 3.12Å; S250-F252 PolarHBondContact O-N 2.79Å
253F98.6Very high98.5Very high0 Ų025.2 Ų25.20%015%0.147CC..THydrogen-bonded Turntrans-99.8-34.6174.8-79.6-97.2000112.6F141 R142 I147 L157 I161 A187 Y188 L191 S250 L251F141-F253 WeakPolarHBondContact CA-O 3.48Å; F141-F253 HydrophobicContact CD1-CB 4.12Å; F141-F253 HydrophobicContact CD1-CD1 4.34Å; F141-F253 HydrophobicContact CE1-CB 4.13Å; F141-F253 HydrophobicContact CE1-CD1 4.14Å; R142-F253 WeakPolarHBondContact CG-O 3.16Å; R142-F253 PolarHBondContact N-O 3.25Å; I147-F253 HydrophobicContact CD1-CD1 4.04Å; I147-F253 HydrophobicContact CG2-CD1 3.59Å; I147-F253 HydrophobicContact CG2-CD2 4.48Å; I147-F253 HydrophobicContact CG2-CE1 3.51Å; I147-F253 HydrophobicContact CG2-CE2 4.4Å; I147-F253 HydrophobicContact CG2-CG 4.09Å; I147-F253 HydrophobicContact CG2-CZ 3.93Å; L157-F253 HydrophobicContact CD1-CE2 4.08Å; I161-F253 HydrophobicContact CD1-CE2 4.18Å; I161-F253 HydrophobicContact CD1-CZ 3.63Å; I161-F253 HydrophobicContact CG1-CZ 4.26Å; A187-F253 HydrophobicContact CB-CE1 3.96Å; A187-F253 HydrophobicContact CB-CZ 4.36Å; Y188-F253 HydrophobicContact CD2-CB 3.99Å; Y188-F253 AromaticContact CD2-CD1 3.58Å; Y188-F253 HydrophobicContact CD2-CD1 3.58Å; Y188-F253 HydrophobicContact CD2-CD2 4.11Å; Y188-F253 HydrophobicContact CD2-CE1 4.06Å; Y188-F253 AromaticContact CD2-CG 3.62Å; Y188-F253 HydrophobicContact CD2-CG 3.62Å; Y188-F253 HydrophobicContact CE2-CB 4.17Å; Y188-F253 HydrophobicContact CE2-CD2 4.5Å; Y188-F253 HydrophobicContact CE2-CG 4.16Å; Y188-F253 HydrophobicContact CG-CD1 4.23Å; L191-F253 HydrophobicContact CB-CE2 4.49Å; L191-F253 HydrophobicContact CD2-CD2 3.87Å; L191-F253 HydrophobicContact CD2-CE2 3.65Å; L191-F253 HydrophobicContact CD2-CZ 4.44Å; S250-F253 PolarHBondContact O-N 2.96Å; L251-F253 VanDerWaalsContact C-N 3.34Å
254F98.7Very high98.5Very high0 Ų021 Ų210%012%0.12CC..EExtended strand (participates in β ladder)trans-95.5155.6-176.2-59.1-31.5000112.7I99 M138 G140 F141 R142 Y188 S250 Y256 P272I99-F254 HydrophobicContact CD1-CE2 4.34Å; I99-F254 HydrophobicContact CG1-CE2 4.49Å; I99-F254 HydrophobicContact CG2-CE2 3.77Å; I99-F254 HydrophobicContact CG2-CZ 4.25Å; M138-F254 HydrophobicContact CB-CB 3.95Å; M138-F254 HydrophobicContact CB-CD2 4.02Å; M138-F254 HydrophobicContact CB-CG 4.48Å; M138-F254 HydrophobicContact CE-CD2 4.44Å; M138-F254 HydrophobicContact SD-CD2 4.45Å; G140-F254 CarbonylContact O-C 3.59Å; G140-F254 WeakPolarHBondContact O-CA 3.33Å; G140-F254 WeakPolarHBondContact O-CB 3.29Å; F141-F254 AromaticContact CD1-CD1 3.99Å; F141-F254 HydrophobicContact CD1-CD1 3.99Å; F141-F254 AromaticContact CD1-CE1 3.95Å; F141-F254 HydrophobicContact CD1-CE1 3.95Å; F141-F254 HydrophobicContact CE1-CD1 4.08Å; F141-F254 AromaticContact CE1-CE1 3.58Å; F141-F254 HydrophobicContact CE1-CE1 3.58Å; F141-F254 HydrophobicContact CE2-CE1 4.19Å; F141-F254 HydrophobicContact CG-CD1 4.38Å; F141-F254 HydrophobicContact CG-CE1 4.42Å; F141-F254 AromaticContact CZ-CE1 3.72Å; F141-F254 HydrophobicContact CZ-CE1 3.72Å; R142-F254 PolarHBondContact NE-O 3.2Å; R142-F254 PolarHBondContact NH2-O 3.22Å; Y188-F254 HydrophobicContact CE1-CZ 4.25Å; Y188-F254 HydrophobicContact CE2-CE1 4.31Å; Y188-F254 HydrophobicContact CE2-CZ 4.07Å; Y188-F254 AromaticContact CZ-CZ 3.62Å; Y188-F254 VanDerWaalsContact OH-CZ 3.28Å; Y188-F254 WeakPolarHBondContact OH-CZ 3.35Å; S250-F254 PolarHBondContact O-N 2.69Å; F254-Y256 PolarHBondContact O-N 3.19Å; F254-P272 HydrophobicContact CD1-CG 4.45Å; F254-P272 HydrophobicContact CE1-CB 3.95Å; F254-P272 HydrophobicContact CE1-CG 3.79Å; F254-P272 HydrophobicContact CE2-CB 4.45Å; F254-P272 HydrophobicContact CZ-CB 3.75Å; F254-P272 HydrophobicContact CZ-CG 4.13Å
255N98.5Very high98.5Very high9 Ų920.5 Ų20.55%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-65.6126.7167.9-64.5-83.9000108.8M138 V139 G140 F141 R142 L257 R314 G316 L319M138-N255 CarbonylContact C-O 3.58Å; M138-N255 VanDerWaalsContact CA-O 3.27Å; M138-N255 WeakPolarHBondContact CA-O 3.46Å; V139-N255 PolarHBondContact N-O 3.12Å; V139-N255 WeakPolarHBondContact O-CB 3.37Å; V139-N255 PolarHBondContact O-N 3.23Å; V139-N255 PolarHBondContact O-ND2 3.1Å; G140-N255 PolarHBondContact O-N 3.27Å; G140-N255 PolarHBondContact O-ND2 2.9Å; F141-N255 PolarHBondContact O-ND2 2.87Å; R142-N255 PolarHBondContact N-ND2 2.87Å; N255-L257 HydrophobicContact CB-CD2 3.99Å; N255-L257 HydrophobicContact CB-CG 4.4Å; N255-R314 PolarHBondContact ND2-O 3.29Å; N255-R314 PolarHBondContact OD1-O 3.22Å; N255-G316 WeakPolarHBondContact OD1-CA 3.49Å; N255-G316 PolarHBondContact OD1-N 2.95Å; N255-G316 VanDerWaalsContact OD1-N 3.08Å; N255-L319 HydrophobicContact CB-CD1 3.98Å; N255-L319 WeakPolarHBondContact ND2-CD1 3.44Å
256Y98.4Very high98.5Very high39 Ų3920.4 Ų20.415%0.15311%0.113CC..EExtended strand (participates in β ladder)trans-90115.7168.5169.9-103.3000108.6E136 T230 L231 V234 L251 F254 K258 L276E136-Y256 HydrophobicContact CB-CE2 4.07Å; E136-Y256 HydrophobicContact CG-CE2 4.35Å; E136-Y256 WeakPolarHBondContact OE2-CE2 3.23Å; E136-Y256 PolarHBondContact OE2-OH 2.56Å; T230-Y256 HydrophobicContact CG2-CD1 4.34Å; T230-Y256 HydrophobicContact CG2-CE1 3.46Å; T230-Y256 VanDerWaalsContact CG2-CE1 3.46Å; L231-Y256 HydrophobicContact CD2-CD1 4.03Å; L231-Y256 HydrophobicContact CD2-CG 3.91Å; V234-Y256 HydrophobicContact CG1-CD2 4.5Å; V234-Y256 HydrophobicContact CG1-CE2 4.24Å; V234-Y256 HydrophobicContact CG2-CE2 3.72Å; L251-Y256 HydrophobicContact CD1-CD2 4.24Å; F254-Y256 PolarHBondContact O-N 3.19Å; Y256-K258 HydrophobicContact CE1-CD 4.12Å; Y256-K258 HydrophobicContact CE1-CG 3.82Å; Y256-K258 WeakPolarHBondContact OH-CE 3.32Å; Y256-L276 HydrophobicContact CD2-CD1 3.76Å; Y256-L276 HydrophobicContact CE2-CD1 3.75Å
257L98.3Very high98.5Very high9 Ų919.5 Ų19.55%0.04711%0.107CC..EExtended strand (participates in β ladder)trans-109.9128.9-175.6-55.4-176.8000110E136 A137 V139 N255 I265 G316 L319E136-L257 WeakPolarHBondContact CA-O 3.25Å; A137-L257 PolarHBondContact N-O 3.18Å; A137-L257 PolarHBondContact O-N 2.67Å; V139-L257 HydrophobicContact CB-CD1 4.01Å; V139-L257 HydrophobicContact CG2-CD1 3.95Å; N255-L257 HydrophobicContact CB-CD2 3.99Å; N255-L257 HydrophobicContact CB-CG 4.4Å; L257-I265 HydrophobicContact CD1-CG2 4.07Å; L257-G316 WeakPolarHBondContact CD2-O 3.27Å; L257-L319 HydrophobicContact CD1-CB 3.9Å; L257-L319 HydrophobicContact CD1-CD1 4.38Å
258K98.2Very high98.4Very high108 Ų10821.2 Ų21.247%0.4712%0.115SC..EExtended strand (participates in β ladder)trans-101.7115.7163.1-71.2174.9172.8167.60107.8E136 T230 Y256 K320E136-K258 HydrophobicContact CG-CG 4.42Å; T230-K258 VanDerWaalsContact CG2-NZ 3.28Å; T230-K258 PolarHBondContact OG1-NZ 2.78Å; Y256-K258 HydrophobicContact CE1-CD 4.12Å; Y256-K258 HydrophobicContact CE1-CG 3.82Å; Y256-K258 WeakPolarHBondContact OH-CE 3.32Å; K258-K320 PolarHBondContact O-NZ 3.08Å
259L98.7Very high98.4Very high3 Ų322.6 Ų22.62%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-97.8130.2174.6-54.5179.9000109.4A131 P134 F135 E263 I265 K320A131-L259 HydrophobicContact CB-CB 3.86Å; P134-L259 WeakPolarHBondContact CA-O 3.37Å; F135-L259 HydrophobicContact CB-CB 4.27Å; F135-L259 HydrophobicContact CD1-CD1 4.21Å; F135-L259 PolarHBondContact N-O 2.84Å; F135-L259 PolarHBondContact O-N 2.8Å; L259-E263 WeakPolarHBondContact CA-OE2 3.38Å; L259-E263 HydrophobicContact CB-CB 4.18Å; L259-E263 HydrophobicContact CD2-CB 4.32Å; L259-I265 HydrophobicContact CD1-CD1 4.3Å; L259-I265 HydrophobicContact CD1-CG1 4.12Å; L259-I265 HydrophobicContact CD1-CG2 3.91Å; L259-I265 HydrophobicContact CD2-CG2 3.96Å; L259-K320 HydrophobicContact CD2-CD 4.3Å; L259-K320 HydrophobicContact CD2-CG 4.1Å
260S98.5Very high98.3Very high71 Ų7123.8 Ų23.850%0.49713%0.131SC..PPolyproline II helixtrans-77.8155.2167-71.70000110.8A131 G262 E263A131-S260 WeakPolarHBondContact CB-O 3.42Å; S260-G262 PolarHBondContact O-N 2.78Å; S260-E263 PolarHBondContact N-OE2 3.23Å; S260-E263 WeakPolarHBondContact O-CB 3.07Å; S260-E263 PolarHBondContact O-N 2.72Å
261P98.2Very high98.3Very high75 Ų7523.9 Ų23.949%0.48713%0.131SC..THydrogen-bonded Turntrans-49.5126.8175.5-28.335.3000113A131A131-P261 CarbonylContact O-C 3.56Å; A131-P261 WeakPolarHBondContact O-CA 3.08Å
262G97.7Very high98.3Very high16 Ų1623.9 Ų23.917%0.16513%0.131CC..THydrogen-bonded Turntrans89.8-11.8-17600000115.5A131 S260 F359A131-G262 PolarHBondContact O-N 2.95Å; S260-G262 PolarHBondContact O-N 2.78Å; G262-F359 WeakPolarHBondContact O-CZ 3.39Å
263E98.5Very high98.3Very high62 Ų6224 Ų2429%0.2913%0.132SC..  trans-76.2150.9168.3-64.1-170.4122.100110.7I130 A131 L259 S260 K320I130-E263 WeakPolarHBondContact CA-O 3.23Å; A131-E263 PolarHBondContact N-O 2.93Å; L259-E263 WeakPolarHBondContact CA-OE2 3.38Å; L259-E263 HydrophobicContact CB-CB 4.18Å; L259-E263 HydrophobicContact CD2-CB 4.32Å; S260-E263 PolarHBondContact N-OE2 3.23Å; S260-E263 WeakPolarHBondContact O-CB 3.07Å; S260-E263 PolarHBondContact O-N 2.72Å; E263-K320 IonicContact OE1-NZ 2.67Å; E263-K320 PolarHBondContact OE1-NZ 2.96Å; E263-K320 IonicContact OE2-NZ 3.94Å; E263-K320 PolarHBondContact OE2-NZ 2.96Å
264A98.8Very high98.3Very high1 Ų124 Ų241%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-129.8160-175.800000112.6A129 I130 K320 F321 F359A129-A264 CarbonylContact O-C 3.57Å; A129-A264 WeakPolarHBondContact O-CA 3.21Å; A129-A264 WeakPolarHBondContact O-CB 3.47Å; I130-A264 HydrophobicContact CB-CB 4.36Å; I130-A264 HydrophobicContact CG1-CB 3.84Å; I130-A264 HydrophobicContact CG2-CB 4.34Å; A264-K320 WeakPolarHBondContact O-CA 3.3Å; A264-F321 HydrophobicContact CB-CB 4.38Å; A264-F321 PolarHBondContact O-N 2.64Å; A264-F359 HydrophobicContact CB-CD1 3.77Å; A264-F359 HydrophobicContact CB-CE1 3.57Å; A264-F359 HydrophobicContact CB-CG 4.48Å; A264-F359 HydrophobicContact CB-CZ 4.18Å
265I98.7Very high98.3Very high0 Ų024.2 Ų24.20%013%0.133CC..EExtended strand (participates in β ladder)trans-130.3143.3166.153.4176.9000108.7M128 A129 A137 V139 L257 L259 L267 Y275M128-I265 WeakPolarHBondContact CA-O 3.43Å; M128-I265 WeakPolarHBondContact CG-O 3.26Å; A129-I265 HydrophobicContact CB-CD1 4.42Å; A129-I265 HydrophobicContact CB-CG1 4Å; A129-I265 PolarHBondContact N-O 3.23Å; A129-I265 PolarHBondContact O-N 3.41Å; A137-I265 HydrophobicContact CB-CD1 4.12Å; V139-I265 HydrophobicContact CG2-CD1 3.9Å; L257-I265 HydrophobicContact CD1-CG2 4.07Å; L259-I265 HydrophobicContact CD1-CD1 4.3Å; L259-I265 HydrophobicContact CD1-CG1 4.12Å; L259-I265 HydrophobicContact CD1-CG2 3.91Å; L259-I265 HydrophobicContact CD2-CG2 3.96Å; I265-L267 HydrophobicContact CD1-CD2 4.28Å; I265-Y275 HydrophobicContact CD1-CE1 3.89Å
266F98.6Very high98.3Very high16 Ų1623.8 Ų23.87%0.0713%0.131CC..EExtended strand (participates in β ladder)trans-108.5132.3169.4178-119.4000108.3P126 E127 M128 E268 F321 P361 P362 V363 F366P126-F266 HydrophobicContact CB-CE2 3.87Å; P126-F266 HydrophobicContact CB-CZ 3.86Å; E127-F266 WeakPolarHBondContact O-CD2 3.08Å; M128-F266 HydrophobicContact CB-CD2 4.43Å; M128-F266 HydrophobicContact CE-CB 4.21Å; M128-F266 HydrophobicContact CE-CD2 4.11Å; M128-F266 HydrophobicContact CE-CG 4.49Å; F266-E268 HydrophobicContact CD1-CB 4.16Å; F266-E268 HydrophobicContact CE1-CB 3.65Å; F266-E268 HydrophobicContact CZ-CB 4.33Å; F266-F321 HydrophobicContact CB-CB 4.21Å; F266-F321 HydrophobicContact CB-CD2 3.66Å; F266-F321 HydrophobicContact CB-CE2 4.29Å; F266-F321 HydrophobicContact CB-CG 4Å; F266-F321 HydrophobicContact CG-CD2 4.5Å; F266-P361 HydrophobicContact CD1-CB 4.26Å; F266-P361 HydrophobicContact CD2-CB 3.52Å; F266-P361 HydrophobicContact CD2-CG 4.25Å; F266-P361 HydrophobicContact CE1-CB 4.17Å; F266-P361 HydrophobicContact CE2-CB 3.44Å; F266-P361 VanDerWaalsContact CE2-CB 3.44Å; F266-P361 HydrophobicContact CE2-CG 4.07Å; F266-P361 HydrophobicContact CG-CB 3.95Å; F266-P361 HydrophobicContact CZ-CB 3.78Å; F266-P362 HydrophobicContact CE1-CG 4.02Å; F266-V363 HydrophobicContact CE2-CG2 4.42Å; F266-V363 HydrophobicContact CZ-CG1 4.02Å; F266-V363 HydrophobicContact CZ-CG2 4.42Å; F266-F366 HydrophobicContact CE2-CZ 4.19Å
267L98.4Very high98.3Very high0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-108.987.3-179.6-56.2177.2000107.4E127 V139 I265 L271 H273 Y275E127-L267 HydrophobicContact CB-CB 4.17Å; E127-L267 HydrophobicContact CB-CD1 4.24Å; E127-L267 HydrophobicContact CG-CD1 4.21Å; E127-L267 PolarHBondContact N-O 3.49Å; E127-L267 VanDerWaalsContact N-O 3.15Å; E127-L267 PolarHBondContact O-N 2.98Å; V139-L267 HydrophobicContact CG1-CD2 3.88Å; V139-L267 HydrophobicContact CG2-CD2 4.29Å; I265-L267 HydrophobicContact CD1-CD2 4.28Å; L267-L271 HydrophobicContact CD2-CD2 4.25Å; L267-H273 HydrophobicContact CD1-CB 4.43Å; L267-H273 VanDerWaalsContact CD1-CD2 3.42Å; L267-H273 WeakPolarHBondContact CD1-CD2 3.48Å; L267-H273 HydrophobicContact CD2-CB 3.85Å; L267-Y275 HydrophobicContact CD1-CE1 4Å; L267-Y275 WeakPolarHBondContact CD1-OH 3.36Å
268E97.1Very high98.3Very high36 Ų3622.4 Ų22.417%0.16813%0.128CC..  trans-67.5164.117470.1-91.6-159.500111.7F266 N270 L271 R314F266-E268 HydrophobicContact CD1-CB 4.16Å; F266-E268 HydrophobicContact CE1-CB 3.65Å; F266-E268 HydrophobicContact CZ-CB 4.33Å; E268-N270 PolarHBondContact O-N 3.36Å; E268-L271 HydrophobicContact CG-CB 4.27Å; E268-L271 WeakPolarHBondContact O-CB 3.41Å; E268-L271 PolarHBondContact O-N 3.19Å; E268-L271 WeakPolarHBondContact OE2-CD2 3.48Å; E268-R314 IonicContact OE1-CZ 2.92Å; E268-R314 IonicContact OE1-NH1 3.66Å; E268-R314 PolarHBondContact OE1-NH1 3.2Å; E268-R314 IonicContact OE1-NH2 3.72Å; E268-R314 PolarHBondContact OE1-NH2 2.87Å
269P97.1Very high98.4Very high30 Ų3017.4 Ų17.420%0.19511%0.106CC..THydrogen-bonded Turntrans-51.5142175.8-28.336.5000112.9H102 D104 L271 Q310H102-P269 CarbonylContact O-C 3.59Å; H102-P269 WeakPolarHBondContact O-CA 3.42Å; D104-P269 HydrophobicContact CB-CB 3.92Å; P269-L271 PolarHBondContact O-N 2.89Å; P269-Q310 PolarHBondContact O-NE2 3.21Å
270N98Very high98.4Very high24 Ų2417.2 Ų17.213%0.12811%0.105CC..THydrogen-bonded Turntrans68.11.8178.3-54.4-27.5000115H102 P103 D104 E268 P272 I308 I309 Q310H102-N270 PolarHBondContact O-N 3.1Å; H102-N270 PolarHBondContact O-OD1 3.34Å; P103-N270 WeakPolarHBondContact CA-OD1 3.47Å; D104-N270 PolarHBondContact N-OD1 2.95Å; D104-N270 PolarHBondContact OD2-ND2 3.42Å; E268-N270 PolarHBondContact O-N 3.36Å; N270-P272 VanDerWaalsContact O-CD 3.28Å; N270-P272 WeakPolarHBondContact O-CD 3.45Å; N270-I308 VanDerWaalsContact CB-O 3.24Å; N270-I308 WeakPolarHBondContact CB-O 3.21Å; N270-I309 CarbonylContact O-C 3.53Å; N270-I309 VanDerWaalsContact O-CA 3.24Å; N270-I309 WeakPolarHBondContact O-CA 3.35Å; N270-Q310 HydrophobicContact CB-CG 3.86Å; N270-Q310 PolarHBondContact O-N 2.83Å
271L98.1Very high98.4Very high3 Ų313.9 Ų13.92%0.0168%0.082CC..  trans-77.7114.5175.1-170.367.3000110.5V139 L267 E268 P269 H273 L319V139-L271 HydrophobicContact CG1-CD2 3.56Å; V139-L271 HydrophobicContact CG1-CG 4.08Å; L267-L271 HydrophobicContact CD2-CD2 4.25Å; E268-L271 HydrophobicContact CG-CB 4.27Å; E268-L271 WeakPolarHBondContact O-CB 3.41Å; E268-L271 PolarHBondContact O-N 3.19Å; E268-L271 WeakPolarHBondContact OE2-CD2 3.48Å; P269-L271 PolarHBondContact O-N 2.89Å; L271-H273 PolarHBondContact O-ND1 2.77Å; L271-L319 HydrophobicContact CD2-CD2 4.23Å
272P98.4Very high98.4Very high0 Ų010.6 Ų10.60%06%0.06CC..  trans-70.8135.9178.629.2-34.1000110.7Q100 G140 F141 F254 N270 I309Q100-P272 WeakPolarHBondContact O-CA 3.41Å; G140-P272 PolarHBondContact N-O 2.87Å; F141-P272 HydrophobicContact CD2-CG 4.36Å; F141-P272 HydrophobicContact CE2-CG 4.01Å; F254-P272 HydrophobicContact CD1-CG 4.45Å; F254-P272 HydrophobicContact CE1-CB 3.95Å; F254-P272 HydrophobicContact CE1-CG 3.79Å; F254-P272 HydrophobicContact CE2-CB 4.45Å; F254-P272 HydrophobicContact CZ-CB 3.75Å; F254-P272 HydrophobicContact CZ-CG 4.13Å; N270-P272 VanDerWaalsContact O-CD 3.28Å; N270-P272 WeakPolarHBondContact O-CD 3.45Å; P272-I309 HydrophobicContact CB-CB 4.48Å; P272-I309 HydrophobicContact CB-CG2 4.1Å; P272-I309 HydrophobicContact CG-CB 4.33Å; P272-I309 HydrophobicContact CG-CG2 4.46Å
273H98.7Very high98.5Very high2 Ų29.9 Ų9.91%0.0095%0.053CC..EExtended strand (participates in β ladder)trans-154.6165.4-17860.9-84.8000112.8I99 Q100 H102 M138 V139 L267 L271I99-H273 WeakPolarHBondContact CA-O 3.48Å; Q100-H273 VanDerWaalsContact CG-NE2 3.33Å; Q100-H273 WeakPolarHBondContact CG-NE2 3.34Å; Q100-H273 PolarHBondContact N-O 3.43Å; Q100-H273 PolarHBondContact NE2-NE2 2.86Å; Q100-H273 VanDerWaalsContact NE2-NE2 3.1Å; Q100-H273 PolarHBondContact O-N 3.27Å; Q100-H273 PolarHBondContact O-ND1 3.27Å; H102-H273 AromaticContact CD2-CE1 3.6Å; H102-H273 AromaticContact NE2-CE1 3.42Å; H102-H273 PolarHBondContact NE2-CE1 2.97Å; H102-H273 AromaticContact NE2-NE2 3.54Å; M138-H273 CarbonylContact O-C 3.51Å; M138-H273 WeakPolarHBondContact O-CA 3.43Å; M138-H273 WeakPolarHBondContact O-CB 3.46Å; V139-H273 HydrophobicContact CG1-CB 4.46Å; V139-H273 HydrophobicContact CG2-CB 4.25Å; L267-H273 HydrophobicContact CD1-CB 4.43Å; L267-H273 VanDerWaalsContact CD1-CD2 3.42Å; L267-H273 WeakPolarHBondContact CD1-CD2 3.48Å; L267-H273 HydrophobicContact CD2-CB 3.85Å; L271-H273 PolarHBondContact O-ND1 2.77Å
274A98.7Very high98.5Very high1 Ų17 Ų71%0.0084%0.039CC..EExtended strand (participates in β ladder)trans-155.4131.9167.600000110.6I99 A137 M138 L276 L295I99-A274 HydrophobicContact CG1-CB 3.95Å; A137-A274 CarbonylContact C-O 3.55Å; A137-A274 WeakPolarHBondContact CA-O 3.36Å; M138-A274 HydrophobicContact CE-CB 3.76Å; M138-A274 PolarHBondContact N-O 2.83Å; M138-A274 PolarHBondContact O-N 3.28Å; A274-L276 HydrophobicContact CB-CD2 4.45Å; A274-L295 HydrophobicContact CB-CD1 4.47Å
275Y98.8Very high98.4Very high3 Ų37 Ų71%0.0124%0.039CC..EExtended strand (participates in β ladder)trans-79.3133.9169.6-58.8-25.1000110L91 A96 L97 E127 A129 F135 A137 I265 L267L91-Y275 HydrophobicContact CD1-CD2 3.95Å; L91-Y275 HydrophobicContact CD1-CE2 3.86Å; A96-Y275 CarbonylContact C-O 3.59Å; A96-Y275 WeakPolarHBondContact CA-O 3.33Å; L97-Y275 HydrophobicContact CD2-CD2 4.32Å; L97-Y275 PolarHBondContact N-O 2.8Å; E127-Y275 VanDerWaalsContact OE1-CE2 3.31Å; E127-Y275 WeakPolarHBondContact OE1-CE2 3.49Å; E127-Y275 PolarHBondContact OE1-OH 2.91Å; A129-Y275 HydrophobicContact CB-CE1 4.18Å; A129-Y275 HydrophobicContact CB-CE2 4.45Å; A129-Y275 WeakPolarHBondContact CB-OH 3.35Å; F135-Y275 AromaticContact CE1-CD1 3.67Å; F135-Y275 HydrophobicContact CE1-CD1 3.67Å; F135-Y275 HydrophobicContact CE1-CE1 4.21Å; F135-Y275 AromaticContact CE1-CG 3.85Å; F135-Y275 HydrophobicContact CE1-CG 3.85Å; F135-Y275 AromaticContact CZ-CD1 3.91Å; F135-Y275 HydrophobicContact CZ-CD1 3.91Å; F135-Y275 AromaticContact CZ-CD2 3.96Å; F135-Y275 HydrophobicContact CZ-CD2 3.96Å; F135-Y275 AromaticContact CZ-CG 3.59Å; F135-Y275 HydrophobicContact CZ-CG 3.59Å; A137-Y275 HydrophobicContact CB-CD1 4.09Å; I265-Y275 HydrophobicContact CD1-CE1 3.89Å; L267-Y275 HydrophobicContact CD1-CE1 4Å; L267-Y275 WeakPolarHBondContact CD1-OH 3.36Å
276L98.8Very high98.2Very high1 Ų18.9 Ų8.91%0.0055%0.052CC..EExtended strand (participates in β ladder)trans-106.2-44.1-171.8-58.5-173.2000112.8K95 A96 E136 M138 V234 L238 Y256 A274K95-L276 CarbonylContact C-O 3.48Å; A96-L276 HydrophobicContact CB-CD2 3.66Å; E136-L276 HydrophobicContact CB-CB 3.93Å; E136-L276 WeakPolarHBondContact O-CB 3.36Å; E136-L276 PolarHBondContact O-N 3.49Å; M138-L276 HydrophobicContact CE-CD2 4.02Å; M138-L276 HydrophobicContact CG-CD1 3.78Å; M138-L276 HydrophobicContact CG-CD2 4.04Å; M138-L276 HydrophobicContact CG-CG 4.12Å; M138-L276 HydrophobicContact SD-CD2 4.38Å; V234-L276 HydrophobicContact CG1-CD1 3.86Å; L238-L276 HydrophobicContact CD2-CD2 4.04Å; Y256-L276 HydrophobicContact CD2-CD1 3.76Å; Y256-L276 HydrophobicContact CE2-CD1 3.75Å; A274-L276 HydrophobicContact CB-CD2 4.45Å
277S98.7Very high98.1Very high15 Ų158.4 Ų8.411%0.1055%0.051CC..EExtended strand (participates in β ladder)trans-165.5159.8-178.173.20000111.1V93 F135 E136V93-S277 WeakPolarHBondContact O-CA 3.28Å; F135-S277 WeakPolarHBondContact CA-O 3.42Å; F135-S277 WeakPolarHBondContact CD2-O 3.31Å; E136-S277 WeakPolarHBondContact CB-OG 3.28Å; E136-S277 VanDerWaalsContact CG-OG 3.23Å; E136-S277 WeakPolarHBondContact CG-OG 3.41Å; E136-S277 PolarHBondContact N-O 2.94Å; E136-S277 PolarHBondContact O-N 3.41Å; E136-S277 PolarHBondContact OE1-OG 3.2Å
278G98.8Very high97.8Very high4 Ų410.4 Ų10.44%0.0416%0.061CC..EExtended strand (participates in β ladder)trans109.7176.7174.700000113.2V93 P134V93-G278 WeakPolarHBondContact CA-O 3.21Å; V93-G278 WeakPolarHBondContact CB-O 3.37Å; V93-G278 PolarHBondContact N-O 3.26Å; V93-G278 PolarHBondContact O-N 2.77Å; P134-G278 WeakPolarHBondContact O-CA 3.12Å
279D98.9Very high97.6Very high2 Ų28.7 Ų8.71%0.0115%0.054CC..EExtended strand (participates in β ladder)trans-108.5140.5171.9-52-73.5000110.1K15 E21 L91 S92 L132 T133K15-D279 VanDerWaalsContact NZ-CG 3.26Å; K15-D279 IonicContact NZ-OD1 3.62Å; K15-D279 PolarHBondContact NZ-OD1 3.1Å; K15-D279 IonicContact NZ-OD2 3.6Å; K15-D279 PolarHBondContact NZ-OD2 3.27Å; E21-D279 HydrophobicContact CB-CB 3.8Å; E21-D279 PolarHBondContact N-OD1 2.72Å; L91-D279 CarbonylContact O-C 3.19Å; L91-D279 WeakPolarHBondContact O-CA 3.17Å; S92-D279 WeakPolarHBondContact CA-OD1 3.37Å; S92-D279 WeakPolarHBondContact CB-OD1 3.28Å; S92-D279 PolarHBondContact OG-OD1 3.42Å; L132-D279 HydrophobicContact CB-CB 4.14Å; L132-D279 PolarHBondContact N-O 2.98Å; T133-D279 HydrophobicContact CG2-CB 4.05Å; T133-D279 VanDerWaalsContact CG2-OD2 3.27Å; T133-D279 WeakPolarHBondContact CG2-OD2 3.33Å; T133-D279 PolarHBondContact N-O 3.01Å; T133-D279 PolarHBondContact OG1-N 2.86Å
280C98.9Very high97.5Very high0 Ų08.3 Ų8.30%05%0.05CC..EExtended strand (participates in β ladder)trans-145.5160.6176.870.40000112.2V90 L91 A129 I130 F135V90-C280 CarbonylContact C-O 3.58Å; V90-C280 WeakPolarHBondContact CA-O 3.48Å; L91-C280 PolarHBondContact N-O 2.84Å; L91-C280 PolarHBondContact O-N 2.82Å; A129-C280 HydrophobicContact CB-CB 4.47Å; I130-C280 CarbonylContact O-C 3.55Å; I130-C280 VanDerWaalsContact O-CA 3.24Å; I130-C280 WeakPolarHBondContact O-CA 3.4Å; I130-C280 VanDerWaalsContact O-CB 3.25Å; I130-C280 WeakPolarHBondContact O-CB 3.5Å; F135-C280 HydrophobicContact CD2-CB 3.77Å; F135-C280 HydrophobicContact CE2-CB 3.62Å; F135-C280 WeakPolarHBondContact CE2-SG 3.27Å; F135-C280 HydrophobicContact CG-CB 4.37Å; F135-C280 HydrophobicContact CZ-CB 4.09Å
281V98.9Very high97.5Very high1 Ų17.2 Ų7.21%0.0065%0.045CC..EExtended strand (participates in β ladder)trans-87.8131.1160.3170.10000107.6F88 K89 V90 A129 I130 L132 I394 F468F88-V281 HydrophobicContact CD2-CG1 4.08Å; F88-V281 HydrophobicContact CE2-CG1 3.08Å; F88-V281 HydrophobicContact CZ-CG1 3.4Å; F88-V281 VanDerWaalsContact CZ-CG1 3.4Å; K89-V281 WeakPolarHBondContact O-CA 3.1Å; V90-V281 HydrophobicContact CG2-CG2 4.39Å; A129-V281 CarbonylContact C-O 3.58Å; A129-V281 WeakPolarHBondContact CA-O 3.33Å; I130-V281 PolarHBondContact N-O 2.96Å; I130-V281 PolarHBondContact O-N 3.43Å; L132-V281 HydrophobicContact CD1-CG2 4.02Å; L132-V281 HydrophobicContact CD2-CG2 3.9Å; L132-V281 HydrophobicContact CG-CG2 4.06Å; V281-I394 HydrophobicContact CG2-CD1 4.4Å; V281-F468 HydrophobicContact CB-CD1 4.31Å; V281-F468 HydrophobicContact CB-CE1 4.48Å; V281-F468 HydrophobicContact CB-CG 4.49Å; V281-F468 HydrophobicContact CG1-CB 4.41Å; V281-F468 HydrophobicContact CG1-CD1 4.23Å; V281-F468 HydrophobicContact CG1-CG 4.38Å; V281-F468 HydrophobicContact CG2-CB 4.37Å; V281-F468 HydrophobicContact CG2-CD1 4.09Å; V281-F468 HydrophobicContact CG2-CD2 3.85Å; V281-F468 HydrophobicContact CG2-CE1 4.29Å; V281-F468 HydrophobicContact CG2-CE2 4.08Å; V281-F468 HydrophobicContact CG2-CG 3.85Å; V281-F468 HydrophobicContact CG2-CZ 4.29Å
282E98.7Very high97.5Very high6 Ų69.9 Ų9.93%0.0285%0.054CC..EExtended strand (participates in β ladder)trans-116.7133.8175.8179.8-169.2-102.400109.7F88 K89 L91 E127 M128F88-E282 VanDerWaalsContact CD2-O 3.27Å; F88-E282 WeakPolarHBondContact CD2-O 3.4Å; K89-E282 HydrophobicContact CB-CB 4.32Å; K89-E282 VanDerWaalsContact CD-OE2 3.29Å; K89-E282 WeakPolarHBondContact CD-OE2 3.5Å; K89-E282 WeakPolarHBondContact CE-OE2 3.49Å; K89-E282 PolarHBondContact N-O 2.78Å; K89-E282 IonicContact NZ-OE2 2.89Å; K89-E282 PolarHBondContact NZ-OE2 3.29Å; K89-E282 PolarHBondContact O-N 2.78Å; L91-E282 HydrophobicContact CD1-CB 3.89Å; L91-E282 HydrophobicContact CD1-CG 4.33Å; L91-E282 WeakPolarHBondContact CD1-OE1 3.12Å; L91-E282 HydrophobicContact CG-CB 4.09Å; E127-E282 HydrophobicContact CG-CG 3.79Å; M128-E282 CarbonylContact O-C 3.54Å; M128-E282 VanDerWaalsContact O-CA 3.23Å; M128-E282 WeakPolarHBondContact O-CA 3.49Å
283C98.7Very high97.3Very high1 Ų19.9 Ų9.91%0.0075%0.054CC..EExtended strand (participates in β ladder)trans-129.3138.2167-162.60000110F88 E127 M128 F366 V368F88-C283 HydrophobicContact CD2-CB 3.8Å; F88-C283 HydrophobicContact CE2-CB 4.18Å; E127-C283 CarbonylContact C-O 3.54Å; E127-C283 WeakPolarHBondContact CA-O 3.28Å; M128-C283 PolarHBondContact N-O 3.01Å; M128-C283 PolarHBondContact O-N 2.77Å; C283-F366 HydrophobicContact CB-CD2 3.84Å; C283-F366 HydrophobicContact CB-CE2 4.11Å; C283-F366 HydrophobicContact CB-CG 4.3Å; C283-F366 VanDerWaalsContact O-CZ 3.31Å; C283-F366 WeakPolarHBondContact O-CZ 3.35Å; C283-F366 VanDerWaalsContact SG-CB 3.6Å; C283-F366 VanDerWaalsContact SG-CG 3.6Å; C283-V368 HydrophobicContact CB-CG2 3.43Å; C283-V368 VanDerWaalsContact CB-CG2 3.43Å
284M98.4Very high97.2Very high2 Ų29.8 Ų9.81%0.015%0.054CC..EExtended strand (participates in β ladder)trans-147.8155.6-173.467.2-158.3-38.900110.6F86 L87 K89 K125 P126 E127F86-M284 CarbonylContact C-O 3.58Å; F86-M284 WeakPolarHBondContact CA-O 3.46Å; F86-M284 WeakPolarHBondContact CB-O 3.25Å; L87-M284 HydrophobicContact CB-CG 3.98Å; L87-M284 HydrophobicContact CB-SD 4.34Å; L87-M284 HydrophobicContact CD2-SD 4.23Å; L87-M284 HydrophobicContact CG-SD 4.5Å; L87-M284 PolarHBondContact N-O 3.5Å; L87-M284 PolarHBondContact O-N 3.48Å; L87-M284 VanDerWaalsContact O-N 3.1Å; K89-M284 PolarHBondContact NZ-SD 3.03Å; K125-M284 HydrophobicContact CD-CE 3.96Å; K125-M284 HydrophobicContact CG-CE 3.83Å; P126-M284 VanDerWaalsContact O-CA 3.27Å; P126-M284 WeakPolarHBondContact O-CA 3.32Å; E127-M284 HydrophobicContact CB-CB 4.14Å; E127-M284 HydrophobicContact CG-CB 4.14Å; E127-M284 HydrophobicContact CG-CE 4.42Å; E127-M284 VanDerWaalsContact OE2-CE 3.26Å; E127-M284 WeakPolarHBondContact OE2-CE 3.25Å
285A97.6Very high97.2Very high0 Ų09.7 Ų9.70%05%0.054CC..EExtended strand (participates in β ladder)trans-60.2146.6167.500000110.3P126 S287 D365P126-A285 HydrophobicContact CG-CB 3.9Å; P126-A285 PolarHBondContact O-N 2.8Å; P126-A285 VanDerWaalsContact O-N 3.08Å; A285-S287 PolarHBondContact O-N 3.12Å; A285-D365 HydrophobicContact CB-CB 3.79Å; A285-D365 WeakPolarHBondContact CB-OD1 3.21Å
286S95.1Very high97.1Very high39 Ų3910.1 Ų10.127%0.2736%0.056SC..SBendtrans-6591.9177.3-70.90000110.9L84 P85 F86 N123L84-S286 PolarHBondContact O-OG 2.93Å; L84-S286 VanDerWaalsContact O-OG 3.12Å; P85-S286 PolarHBondContact O-N 3.18Å; P85-S286 PolarHBondContact O-OG 3.41Å; F86-S286 VanDerWaalsContact C-OG 3.3Å; F86-S286 WeakPolarHBondContact CA-OG 3.37Å; F86-S286 PolarHBondContact N-OG 3.42Å; F86-S286 PolarHBondContact O-OG 2.8Å; N123-S286 PolarHBondContact ND2-O 2.9Å
287S94.9Very high96.9Very high6 Ų616.2 Ų16.24%0.04210%0.096CC..  trans-158.5146.6178.5177.80000111D121 N123 H124 K125 A285 N289D121-S287 WeakPolarHBondContact OD1-CB 3.27Å; D121-S287 PolarHBondContact OD1-OG 3.17Å; D121-S287 PolarHBondContact OD2-OG 3.06Å; N123-S287 PolarHBondContact O-OG 2.85Å; H124-S287 WeakPolarHBondContact O-CB 3.43Å; K125-S287 WeakPolarHBondContact CD-O 3.28Å; K125-S287 PolarHBondContact NZ-O 3.24Å; A285-S287 PolarHBondContact O-N 3.12Å; S287-N289 WeakPolarHBondContact OG-CB 3.28Å; S287-N289 PolarHBondContact OG-N 2.88Å
288D93.1Very high96.7Very high42 Ų4221.4 Ų21.423%0.22512%0.117CC..  trans-95.9-1.1172.1-99.6-13.9000112.2H46 K120 D121 V290H46-D288 IonicContact CE1-OD1 2.65Å; H46-D288 IonicContact CE1-OD2 2.77Å; H46-D288 IonicContact NE2-OD1 3.46Å; H46-D288 PolarHBondContact NE2-OD1 3.01Å; H46-D288 IonicContact NE2-OD2 2.78Å; K120-D288 HydrophobicContact CB-CB 4.18Å; K120-D288 HydrophobicContact CD-CB 3.96Å; K120-D288 WeakPolarHBondContact CD-OD2 3.39Å; K120-D288 IonicContact NZ-OD2 3.58Å; K120-D288 PolarHBondContact NZ-OD2 2.99Å; D121-D288 WeakPolarHBondContact OD2-CA 3.44Å; D121-D288 PolarHBondContact OD2-N 3.02Å; D288-V290 PolarHBondContact O-N 2.91Å
289N92.4Very high96.5Very high1 Ų127.2 Ų27.21%0.00514%0.141CC..  trans-72.5126.2-169.8-158.4-19.6000113.8H102 P103 A108 Y119 D121 K125 S287H102-N289 PolarHBondContact ND1-O 2.98Å; P103-N289 WeakPolarHBondContact CG-OD1 3.38Å; A108-N289 WeakPolarHBondContact CA-ND2 3.39Å; A108-N289 WeakPolarHBondContact CB-ND2 3.32Å; Y119-N289 WeakPolarHBondContact CD1-OD1 3.4Å; D121-N289 PolarHBondContact O-ND2 3.27Å; K125-N289 WeakPolarHBondContact CD-O 3.42Å; S287-N289 WeakPolarHBondContact OG-CB 3.28Å; S287-N289 PolarHBondContact OG-N 2.88Å
290V95.9Very high96.3Very high21 Ų2130.3 Ų30.313%0.12715%0.154CC..  trans-160.9135-176.1580000111.1Q100 D288 R292Q100-V290 HydrophobicContact CB-CG2 3.7Å; Q100-V290 HydrophobicContact CG-CG2 4.14Å; Q100-V290 VanDerWaalsContact OE1-CG2 3.27Å; D288-V290 PolarHBondContact O-N 2.91Å; V290-R292 HydrophobicContact CG2-CG 4.28Å
291I97.4Very high96.2Very high1 Ų131.2 Ų31.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-110.6127.6173.3-42-167.1000108.5Q100 A101 L111 Y119 D301 H304 L305 I308Q100-I291 CarbonylContact C-O 3.55Å; Q100-I291 WeakPolarHBondContact CA-O 3.32Å; Q100-I291 WeakPolarHBondContact CB-O 3.45Å; A101-I291 PolarHBondContact N-O 2.82Å; A101-I291 PolarHBondContact O-N 2.91Å; L111-I291 HydrophobicContact CD1-CD1 3.66Å; L111-I291 HydrophobicContact CD1-CG1 4.32Å; Y119-I291 HydrophobicContact CE1-CG1 4.08Å; I291-D301 HydrophobicContact CG2-CB 3.89Å; I291-D301 WeakPolarHBondContact CG2-O 3.27Å; I291-H304 HydrophobicContact CD1-CB 3.99Å; I291-H304 HydrophobicContact CG2-CB 4.26Å; I291-L305 HydrophobicContact CB-CD1 4.32Å; I291-L305 HydrophobicContact CG2-CB 3.84Å; I291-L305 HydrophobicContact CG2-CD1 4.29Å; I291-L305 WeakPolarHBondContact O-CD1 3.33Å; I291-I308 HydrophobicContact CD1-CD1 3.43Å; I291-I308 VanDerWaalsContact CD1-CD1 3.43Å; I291-I308 HydrophobicContact CD1-CG1 4.18Å; I291-I308 HydrophobicContact CG1-CD1 4.16Å
292R97.5Very high96.1Very high59 Ų5932.5 Ų32.522%0.22317%0.167CC..EExtended strand (participates in β ladder)trans-110.1149.3-174.8-64.4-176.8178.3836.7112.6S98 I99 Q100 V290 T296 K300 D301S98-R292 WeakPolarHBondContact OG-CD 3.33Å; S98-R292 PolarHBondContact OG-NE 2.83Å; I99-R292 CarbonylContact O-C 3.58Å; I99-R292 WeakPolarHBondContact O-CA 3.49Å; Q100-R292 HydrophobicContact CB-CG 4.42Å; V290-R292 HydrophobicContact CG2-CG 4.28Å; R292-T296 HydrophobicContact CB-CG2 4.35Å; R292-K300 CarbonylContact O-C 3.14Å; R292-K300 VanDerWaalsContact O-CA 3.29Å; R292-K300 WeakPolarHBondContact O-CA 3.45Å; R292-D301 PolarHBondContact O-N 2.99Å
293A95.3Very high96Very high0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-128-30.7-175.400000114.9I99 M192 K300 L305I99-A293 HydrophobicContact CB-CB 4.27Å; I99-A293 HydrophobicContact CG2-CB 3.92Å; I99-A293 PolarHBondContact O-N 2.83Å; M192-A293 HydrophobicContact CE-CB 3.76Å; M192-A293 VanDerWaalsContact CE-O 3.31Å; M192-A293 WeakPolarHBondContact CE-O 3.18Å; A293-K300 WeakPolarHBondContact O-CD 3.31Å; A293-L305 HydrophobicContact CB-CD1 3.85Å; A293-L305 HydrophobicContact CB-CD2 3.4Å; A293-L305 HydrophobicContact CB-CG 4.14Å
294G97Very high95.8Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-172.5179.2-171.400000112.2S98 I99 D245 T296S98-G294 CarbonylContact C-O 3.52Å; S98-G294 VanDerWaalsContact CA-O 3.31Å; S98-G294 WeakPolarHBondContact CA-O 3.34Å; I99-G294 PolarHBondContact N-O 2.96Å; D245-G294 WeakPolarHBondContact OD1-CA 3.31Å; G294-T296 PolarHBondContact O-N 3.07Å
295L98.1Very high95.8Very high0 Ų040.6 Ų40.60%021%0.208CC..SBendtrans53.641-175.7-52.2-177.7000112.2A96 S98 I99 M138 L238 Y242 D245 A274A96-L295 HydrophobicContact CB-CD1 3.9Å; S98-L295 WeakPolarHBondContact CA-O 3.21Å; I99-L295 HydrophobicContact CD1-CD1 4.13Å; I99-L295 HydrophobicContact CD1-CG 3.99Å; I99-L295 HydrophobicContact CG1-CD1 3.87Å; I99-L295 HydrophobicContact CG1-CG 3.99Å; M138-L295 HydrophobicContact CE-CD1 3.63Å; L238-L295 HydrophobicContact CD1-CD1 4.42Å; L238-L295 HydrophobicContact CD2-CD1 3.86Å; L238-L295 HydrophobicContact CD2-CD2 4.19Å; Y242-L295 HydrophobicContact CD2-CB 4.16Å; Y242-L295 HydrophobicContact CD2-CD2 3.96Å; Y242-L295 VanDerWaalsContact CE1-C 3.41Å; Y242-L295 VanDerWaalsContact CE1-O 3.25Å; Y242-L295 WeakPolarHBondContact CE1-O 3.45Å; Y242-L295 HydrophobicContact CE2-CB 4.24Å; Y242-L295 HydrophobicContact CG-CB 4.38Å; Y242-L295 HydrophobicContact CG-CD2 4.21Å; D245-L295 VanDerWaalsContact CG-N 3.29Å; D245-L295 PolarHBondContact OD1-N 3.47Å; D245-L295 PolarHBondContact OD2-N 3.06Å; A274-L295 HydrophobicContact CB-CD1 4.47Å
296T96.9Very high95.8Very high12 Ų1241.3 Ų41.37%0.07421%0.212CC..SBendtrans-161143.7-176.3-165.10000112.7R292 G294 K298 K300R292-T296 HydrophobicContact CB-CG2 4.35Å; G294-T296 PolarHBondContact O-N 3.07Å; T296-K298 VanDerWaalsContact C-N 3.29Å; T296-K298 HydrophobicContact CG2-CB 4.37Å; T296-K298 WeakPolarHBondContact OG1-CB 3.38Å; T296-K298 PolarHBondContact OG1-N 3.02Å; T296-K300 HydrophobicContact CG2-CG 4.06Å; T296-K300 WeakPolarHBondContact O-CE 3.34Å
297P94.3Very high95.9Very high128 Ų12848.2 Ų48.283%0.83123%0.232SC*.SBendtrans-81.5-9.1167.934.5-36.3000112.7
298K93.9Very high96Very high125 Ų12548.8 Ų48.854%0.54323%0.234SC..SBendtrans-71.7165.9-179.7-63.1-178179.2179.30110.9T296 K300T296-K298 VanDerWaalsContact C-N 3.29Å; T296-K298 HydrophobicContact CG2-CB 4.37Å; T296-K298 WeakPolarHBondContact OG1-CB 3.38Å; T296-K298 PolarHBondContact OG1-N 3.02Å; K298-K300 PolarHBondContact O-N 3.23Å
299F93.9Very high96.2Very high126 Ų12647 Ų4755%0.55323%0.225SC*.  trans-53133.9173.6178.5-106.9000111.6L118 D301L118-F299 HydrophobicContact CD1-CD1 4.15Å; L118-F299 HydrophobicContact CD1-CE1 3.77Å; F299-D301 HydrophobicContact CD1-CB 4.43Å; F299-D301 HydrophobicContact CE1-CB 3.71Å; F299-D301 HydrophobicContact CZ-CB 4.32Å
300K95.8Very high96.5Very high67 Ų6749.4 Ų49.429%0.29124%0.236SC..  trans-114.7114.3-179.4-60.9167.3-176.9-177.70108.1D245 R292 A293 T296 K298 V302D245-K300 IonicContact OD1-NZ 3.68Å; D245-K300 IonicContact OD2-NZ 3.53Å; D245-K300 PolarHBondContact OD2-NZ 3.06Å; R292-K300 CarbonylContact O-C 3.14Å; R292-K300 VanDerWaalsContact O-CA 3.29Å; R292-K300 WeakPolarHBondContact O-CA 3.45Å; A293-K300 WeakPolarHBondContact O-CD 3.31Å; T296-K300 HydrophobicContact CG2-CG 4.06Å; T296-K300 WeakPolarHBondContact O-CE 3.34Å; K298-K300 PolarHBondContact O-N 3.23Å; K300-V302 HydrophobicContact CB-CG2 4.17Å; K300-V302 PolarHBondContact O-N 2.92Å
301D96.4Very high96.5Very high19 Ų1949.3 Ų49.310%0.10223%0.234CC..  trans-97.271.1177.4-163.3-24.6000108.9Y119 I291 R292 F299 D303 H304 L305Y119-D301 PolarHBondContact OH-OD2 3.27Å; I291-D301 HydrophobicContact CG2-CB 3.89Å; I291-D301 WeakPolarHBondContact CG2-O 3.27Å; R292-D301 PolarHBondContact O-N 2.99Å; F299-D301 HydrophobicContact CD1-CB 4.43Å; F299-D301 HydrophobicContact CE1-CB 3.71Å; F299-D301 HydrophobicContact CZ-CB 4.32Å; D301-D303 VanDerWaalsContact C-N 3.26Å; D301-D303 PolarHBondContact O-N 2.93Å; D301-H304 PolarHBondContact O-N 3.26Å; D301-H304 IonicContact OD1-CE1 3.92Å; D301-H304 IonicContact OD1-CG 3.5Å; D301-H304 PolarHBondContact OD1-N 3.04Å; D301-H304 IonicContact OD1-ND1 2.78Å; D301-H304 PolarHBondContact OD1-ND1 2.96Å; D301-H304 IonicContact OD2-CE1 3.74Å; D301-H304 IonicContact OD2-CG 3.68Å; D301-H304 IonicContact OD2-ND1 2.96Å; D301-H304 PolarHBondContact OD2-ND1 3.35Å; D301-L305 WeakPolarHBondContact O-CB 3.24Å; D301-L305 PolarHBondContact O-N 2.58Å
302V96.6Very high96.4Very high27 Ų2752.2 Ų52.216%0.16425%0.247CC..Hα-helixtrans-60.8-37.7-173175.70000111.2M192 K300 L305 L306M192-V302 HydrophobicContact CB-CG1 3.81Å; M192-V302 HydrophobicContact CE-CG1 4.27Å; M192-V302 HydrophobicContact CE-CG2 4.13Å; K300-V302 HydrophobicContact CB-CG2 4.17Å; K300-V302 PolarHBondContact O-N 2.92Å; V302-L305 PolarHBondContact O-N 3.03Å; V302-L306 HydrophobicContact CG1-CD1 3.76Å; V302-L306 HydrophobicContact CG1-CG 4.11Å; V302-L306 WeakPolarHBondContact O-CB 3.29Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.33Å
303D96.3Very high96.3Very high118 Ų11850.4 Ų50.463%0.63124%0.243SC*.Hα-helixtrans-63.7-50.1-179.5-69.4-22.5000111.9D301 L305 R307D301-D303 VanDerWaalsContact C-N 3.26Å; D301-D303 PolarHBondContact O-N 2.93Å; D303-L305 VanDerWaalsContact C-N 3.32Å; D303-L305 PolarHBondContact O-N 2.94Å; D303-R307 WeakPolarHBondContact O-CB 3.37Å; D303-R307 PolarHBondContact O-N 3.46Å
304H96.2Very high96.3Very high61 Ų6153.8 Ų53.828%0.28226%0.256SS..Hα-helixtrans-67-36.2177-71.190.4000111.4Y107 L111 I291 D301 R307 I308Y107-H304 PolarHBondContact OH-CD2 3.48Å; L111-H304 VanDerWaalsContact CD2-CD2 3.41Å; L111-H304 WeakPolarHBondContact CD2-CD2 3.44Å; I291-H304 HydrophobicContact CD1-CB 3.99Å; I291-H304 HydrophobicContact CG2-CB 4.26Å; D301-H304 PolarHBondContact O-N 3.26Å; D301-H304 IonicContact OD1-CE1 3.92Å; D301-H304 IonicContact OD1-CG 3.5Å; D301-H304 PolarHBondContact OD1-N 3.04Å; D301-H304 IonicContact OD1-ND1 2.78Å; D301-H304 PolarHBondContact OD1-ND1 2.96Å; D301-H304 IonicContact OD2-CE1 3.74Å; D301-H304 IonicContact OD2-CG 3.68Å; D301-H304 IonicContact OD2-ND1 2.96Å; D301-H304 PolarHBondContact OD2-ND1 3.35Å; H304-R307 WeakPolarHBondContact O-CB 3.41Å; H304-R307 PolarHBondContact O-N 3.11Å; H304-I308 WeakPolarHBondContact O-CG1 3.34Å; H304-I308 PolarHBondContact O-N 3.13Å
305L97.4Very high96.1Very high1 Ų159.7 Ų59.71%0.00528%0.278CS..Hα-helixtrans-61.8-54.4177.7-175113.6000111.5A101 I291 A293 D301 V302 D303 R307 I308 I309A101-L305 HydrophobicContact CB-CD1 4.28Å; I291-L305 HydrophobicContact CB-CD1 4.32Å; I291-L305 HydrophobicContact CG2-CB 3.84Å; I291-L305 HydrophobicContact CG2-CD1 4.29Å; I291-L305 WeakPolarHBondContact O-CD1 3.33Å; A293-L305 HydrophobicContact CB-CD1 3.85Å; A293-L305 HydrophobicContact CB-CD2 3.4Å; A293-L305 HydrophobicContact CB-CG 4.14Å; D301-L305 WeakPolarHBondContact O-CB 3.24Å; D301-L305 PolarHBondContact O-N 2.58Å; V302-L305 PolarHBondContact O-N 3.03Å; D303-L305 VanDerWaalsContact C-N 3.32Å; D303-L305 PolarHBondContact O-N 2.94Å; L305-R307 PolarHBondContact O-N 2.99Å; L305-R307 VanDerWaalsContact O-N 3.11Å; L305-I308 PolarHBondContact O-N 3.25Å; L305-I308 VanDerWaalsContact O-N 3.1Å; L305-I309 HydrophobicContact CD1-CG2 4.31Å; L305-I309 HydrophobicContact CD2-CD1 4.16Å; L305-I309 HydrophobicContact CD2-CG2 4.39Å; L305-I309 HydrophobicContact CG-CG2 3.86Å; L305-I309 WeakPolarHBondContact O-CG1 3.38Å; L305-I309 WeakPolarHBondContact O-CG2 3.44Å; L305-I309 PolarHBondContact O-N 3.44Å
306L98Very high95.9Very high14 Ų1460.4 Ų60.47%0.07329%0.286CS..Hα-helixtrans-61.8-20.4178.2-68.5176000113Y188 M192 N193 V302 I309 Y311Y188-L306 HydrophobicContact CD1-CD2 3.68Å; Y188-L306 HydrophobicContact CE1-CD2 4.08Å; M192-L306 HydrophobicContact CB-CD1 4.06Å; M192-L306 HydrophobicContact CB-CD2 4.18Å; M192-L306 HydrophobicContact CB-CG 4.45Å; M192-L306 HydrophobicContact CG-CD2 4.08Å; N193-L306 WeakPolarHBondContact ND2-CD1 3.2Å; V302-L306 HydrophobicContact CG1-CD1 3.76Å; V302-L306 HydrophobicContact CG1-CG 4.11Å; V302-L306 WeakPolarHBondContact O-CB 3.29Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.33Å; L306-I309 HydrophobicContact CD2-CD1 4.44Å; L306-Y311 WeakPolarHBondContact CA-OH 3.38Å; L306-Y311 WeakPolarHBondContact CD2-OH 3.14Å; L306-Y311 PolarHBondContact O-OH 3.03Å
307R97Very high95.7Very high185 Ų18564.6 Ų64.670%0.69832%0.315SS*.Hα-helixtrans-76.8-38.8175.3-178.2164.6179.6149.14.4112.8Y107 D303 H304 L305Y107-R307 WeakPolarHBondContact OH-CD 3.39Å; D303-R307 WeakPolarHBondContact O-CB 3.37Å; D303-R307 PolarHBondContact O-N 3.46Å; H304-R307 WeakPolarHBondContact O-CB 3.41Å; H304-R307 PolarHBondContact O-N 3.11Å; L305-R307 PolarHBondContact O-N 2.99Å; L305-R307 VanDerWaalsContact O-N 3.11Å
308I96.7Very high95.8Very high17 Ų1761.9 Ų61.99%0.08730%0.304CS..Hα-helixtrans-95.7-32.5-171.666.7162.7000113.8A101 P103 Y107 N270 I291 H304 L305A101-I308 HydrophobicContact CB-CD1 4.37Å; P103-I308 HydrophobicContact CB-CD1 4.1Å; Y107-I308 HydrophobicContact CD1-CG2 3.51Å; Y107-I308 HydrophobicContact CD2-CG2 4.24Å; Y107-I308 HydrophobicContact CE1-CG2 3.29Å; Y107-I308 HydrophobicContact CE2-CG2 4.08Å; Y107-I308 HydrophobicContact CG-CG2 3.96Å; N270-I308 VanDerWaalsContact CB-O 3.24Å; N270-I308 WeakPolarHBondContact CB-O 3.21Å; I291-I308 HydrophobicContact CD1-CD1 3.43Å; I291-I308 VanDerWaalsContact CD1-CD1 3.43Å; I291-I308 HydrophobicContact CD1-CG1 4.18Å; I291-I308 HydrophobicContact CG1-CD1 4.16Å; H304-I308 WeakPolarHBondContact O-CG1 3.34Å; H304-I308 PolarHBondContact O-N 3.13Å; L305-I308 PolarHBondContact O-N 3.25Å; L305-I308 VanDerWaalsContact O-N 3.1Å
309I98Very high96Very high5 Ų556.4 Ų56.43%0.02628%0.28CS..SBendtrans-62.8145.8-165.459.5177.4000112.6A101 F141 Y188 N270 P272 L305 L306 Y311A101-I309 HydrophobicContact CB-CG2 3.61Å; F141-I309 HydrophobicContact CE2-CD1 3.99Å; F141-I309 HydrophobicContact CZ-CD1 3.89Å; Y188-I309 HydrophobicContact CD1-CD1 3.92Å; Y188-I309 HydrophobicContact CE1-CD1 3.82Å; N270-I309 CarbonylContact O-C 3.53Å; N270-I309 VanDerWaalsContact O-CA 3.24Å; N270-I309 WeakPolarHBondContact O-CA 3.35Å; P272-I309 HydrophobicContact CB-CB 4.48Å; P272-I309 HydrophobicContact CB-CG2 4.1Å; P272-I309 HydrophobicContact CG-CB 4.33Å; P272-I309 HydrophobicContact CG-CG2 4.46Å; L305-I309 HydrophobicContact CD1-CG2 4.31Å; L305-I309 HydrophobicContact CD2-CD1 4.16Å; L305-I309 HydrophobicContact CD2-CG2 4.39Å; L305-I309 HydrophobicContact CG-CG2 3.86Å; L305-I309 WeakPolarHBondContact O-CG1 3.38Å; L305-I309 WeakPolarHBondContact O-CG2 3.44Å; L305-I309 PolarHBondContact O-N 3.44Å; L306-I309 HydrophobicContact CD2-CD1 4.44Å; I309-Y311 HydrophobicContact CD1-CE1 3.79Å; I309-Y311 HydrophobicContact CG1-CE1 3.85Å; I309-Y311 HydrophobicContact CG1-CE2 3.83Å; I309-Y311 VanDerWaalsContact CG1-CZ 3.46Å; I309-Y311 WeakPolarHBondContact O-CD2 3.38Å; I309-Y311 VanDerWaalsContact O-CE2 3.28Å; I309-Y311 WeakPolarHBondContact O-CE2 3.48Å; I309-Y311 PolarHBondContact O-N 2.65Å
310Q97.2Very high96.1Very high52 Ų5253.6 Ų53.624%0.24327%0.268CS..  trans-71.1128.2174.8-59.2-177.319.600109.9F141 P269 N270F141-Q310 WeakPolarHBondContact CD2-O 3.27Å; F141-Q310 VanDerWaalsContact CE2-O 3.22Å; F141-Q310 WeakPolarHBondContact CE2-O 3.1Å; P269-Q310 PolarHBondContact O-NE2 3.21Å; N270-Q310 HydrophobicContact CB-CG 3.86Å; N270-Q310 PolarHBondContact O-N 2.83Å
311Y97.7Very high96.2Very high19 Ų1952.8 Ų52.88%0.07527%0.265CS..  trans-104.3-4.7178.2-67.3-74.8000113.8F141 V184 K185 Y188 L306 I309 P313F141-Y311 HydrophobicContact CD2-CD1 4.18Å; F141-Y311 AromaticContact CE2-CD1 3.48Å; F141-Y311 HydrophobicContact CE2-CD1 3.48Å; F141-Y311 VanDerWaalsContact CE2-CD1 3.48Å; F141-Y311 AromaticContact CE2-CE1 3.84Å; F141-Y311 HydrophobicContact CE2-CE1 3.84Å; F141-Y311 HydrophobicContact CE2-CG 4.34Å; F141-Y311 AromaticContact CZ-CD1 3.75Å; F141-Y311 HydrophobicContact CZ-CD1 3.75Å; F141-Y311 AromaticContact CZ-CE1 3.76Å; F141-Y311 HydrophobicContact CZ-CE1 3.76Å; V184-Y311 HydrophobicContact CG1-CD1 4.3Å; K185-Y311 VanDerWaalsContact CA-CD1 3.43Å; K185-Y311 VanDerWaalsContact CA-CE1 3.46Å; K185-Y311 HydrophobicContact CB-CD1 3.63Å; K185-Y311 HydrophobicContact CB-CD2 3.88Å; K185-Y311 HydrophobicContact CB-CE1 3.75Å; K185-Y311 HydrophobicContact CB-CE2 4Å; K185-Y311 HydrophobicContact CB-CG 3.67Å; K185-Y311 HydrophobicContact CD-CD2 3.8Å; K185-Y311 HydrophobicContact CD-CE2 3.51Å; K185-Y311 HydrophobicContact CD-CG 4.46Å; K185-Y311 HydrophobicContact CG-CD1 4.23Å; K185-Y311 HydrophobicContact CG-CD2 4Å; K185-Y311 HydrophobicContact CG-CE1 3.89Å; K185-Y311 HydrophobicContact CG-CE2 3.63Å; K185-Y311 HydrophobicContact CG-CG 4.26Å; Y188-Y311 HydrophobicContact CD1-CE1 4.45Å; L306-Y311 WeakPolarHBondContact CA-OH 3.38Å; L306-Y311 WeakPolarHBondContact CD2-OH 3.14Å; L306-Y311 PolarHBondContact O-OH 3.03Å; I309-Y311 HydrophobicContact CD1-CE1 3.79Å; I309-Y311 HydrophobicContact CG1-CE1 3.85Å; I309-Y311 HydrophobicContact CG1-CE2 3.83Å; I309-Y311 VanDerWaalsContact CG1-CZ 3.46Å; I309-Y311 WeakPolarHBondContact O-CD2 3.38Å; I309-Y311 VanDerWaalsContact O-CE2 3.28Å; I309-Y311 WeakPolarHBondContact O-CE2 3.48Å; I309-Y311 PolarHBondContact O-N 2.65Å; Y311-P313 WeakPolarHBondContact O-CD 3.12Å
312E95.3Very high96.3Very high61 Ų6158 Ų5829%0.28530%0.296SS..  trans-64.2115.3175.7-179.970.9177.900109.2K177 S181K177-E312 WeakPolarHBondContact CD-OE1 3.45Å; K177-E312 WeakPolarHBondContact CE-OE1 3.33Å; K177-E312 WeakPolarHBondContact CG-OE1 3.48Å; K177-E312 IonicContact NZ-OE1 3.6Å; K177-E312 PolarHBondContact NZ-OE1 2.86Å; S181-E312 WeakPolarHBondContact OG-CA 3.42Å; S181-E312 PolarHBondContact OG-N 3.35Å; S181-E312 PolarHBondContact OG-OE2 3.07Å
313P94.5Very high96.3Very high22 Ų2257.3 Ų57.314%0.14330%0.295CS..  trans-68.7147.1-178.6-26.141.2000112F141 T180 V184 Y311F141-P313 WeakPolarHBondContact O-CA 3.36Å; T180-P313 HydrophobicContact CG2-CG 3.6Å; V184-P313 HydrophobicContact CG2-CG 3.92Å; Y311-P313 WeakPolarHBondContact O-CD 3.12Å
314R94.4Very high96.4Very high70 Ų7058.2 Ų58.226%0.26430%0.296SS..  trans-135.5146.9177.2-57.3-175.9-1681763.6110.1F141 N255 E268 L319F141-R314 PolarHBondContact O-N 3.45Å; N255-R314 PolarHBondContact ND2-O 3.29Å; N255-R314 PolarHBondContact OD1-O 3.22Å; E268-R314 IonicContact OE1-CZ 2.92Å; E268-R314 IonicContact OE1-NH1 3.66Å; E268-R314 PolarHBondContact OE1-NH1 3.2Å; E268-R314 IonicContact OE1-NH2 3.72Å; E268-R314 PolarHBondContact OE1-NH2 2.87Å; R314-L319 HydrophobicContact CB-CD2 4.48Å; R314-L319 HydrophobicContact CB-CG 4.35Å
315W93.7Very high96.4Very high125 Ų12559.2 Ų59.247%0.47331%0.306SS..  trans-69.2138.3166.2-67.6101000109.7P143 Y224 S317 A318P143-W315 HydrophobicContact CB-CH2 4.36Å; P143-W315 HydrophobicContact CB-CZ2 4.38Å; P143-W315 HydrophobicContact CG-CD2 3.75Å; P143-W315 HydrophobicContact CG-CE3 3.7Å; P143-W315 HydrophobicContact CG-CG 4.47Å; P143-W315 HydrophobicContact CG-CH2 3.78Å; P143-W315 HydrophobicContact CG-CZ2 3.82Å; P143-W315 HydrophobicContact CG-CZ3 3.72Å; Y224-W315 AromaticContact CE1-CH2 3.9Å; Y224-W315 HydrophobicContact CE1-CH2 3.9Å; Y224-W315 HydrophobicContact CE1-CZ3 4.15Å; Y224-W315 HydrophobicContact CE2-CZ3 4.36Å; Y224-W315 AromaticContact CZ-CH2 3.79Å; Y224-W315 AromaticContact CZ-CZ3 3.71Å; Y224-W315 VanDerWaalsContact OH-CH2 3.26Å; Y224-W315 WeakPolarHBondContact OH-CH2 3.44Å; Y224-W315 VanDerWaalsContact OH-CZ3 3.3Å; Y224-W315 WeakPolarHBondContact OH-CZ3 3.4Å; W315-S317 PolarHBondContact O-N 3.15Å; W315-S317 VanDerWaalsContact O-N 3.11Å; W315-A318 WeakPolarHBondContact O-CB 3.43Å; W315-A318 PolarHBondContact O-N 3.46Å
316G93.6Very high96.3Very high15 Ų1565.6 Ų65.616%0.15533%0.334CS..G310 helixtrans-54.9-32.2-179.400000114.4N255 L257 A318 L319N255-G316 WeakPolarHBondContact OD1-CA 3.49Å; N255-G316 PolarHBondContact OD1-N 2.95Å; N255-G316 VanDerWaalsContact OD1-N 3.08Å; L257-G316 WeakPolarHBondContact CD2-O 3.27Å; G316-A318 VanDerWaalsContact C-N 3.29Å; G316-A318 PolarHBondContact O-N 2.9Å; G316-L319 WeakPolarHBondContact O-CB 3.46Å; G316-L319 PolarHBondContact O-N 2.97Å
317S93.3Very high96.1Very high99 Ų9973.3 Ų73.369%0.69237%0.367SS*.G310 helixtrans-63.1-32.5175.152.70000113.5W315 L319W315-S317 PolarHBondContact O-N 3.15Å; W315-S317 VanDerWaalsContact O-N 3.11Å; S317-L319 PolarHBondContact O-N 3.42Å
318A95.7Very high95.7Very high72 Ų7265.5 Ų65.560%0.59534%0.339SS*.G310 helixtrans-77.5-8.3178.900000113.3W315 G316W315-A318 WeakPolarHBondContact O-CB 3.43Å; W315-A318 PolarHBondContact O-N 3.46Å; G316-A318 VanDerWaalsContact C-N 3.29Å; G316-A318 PolarHBondContact O-N 2.9Å
319L97.6Very high95Very high9 Ų970 Ų705%0.04737%0.367CS..G310 helixtrans-92.3-14.2177.4-70.3168.9000113V139 N255 L257 L271 R314 G316 S317V139-L319 HydrophobicContact CB-CD1 4.15Å; V139-L319 HydrophobicContact CG1-CD1 4.12Å; V139-L319 HydrophobicContact CG1-CD2 4.11Å; V139-L319 WeakPolarHBondContact O-CD1 3.31Å; N255-L319 HydrophobicContact CB-CD1 3.98Å; N255-L319 WeakPolarHBondContact ND2-CD1 3.44Å; L257-L319 HydrophobicContact CD1-CB 3.9Å; L257-L319 HydrophobicContact CD1-CD1 4.38Å; L271-L319 HydrophobicContact CD2-CD2 4.23Å; R314-L319 HydrophobicContact CB-CD2 4.48Å; R314-L319 HydrophobicContact CB-CG 4.35Å; G316-L319 WeakPolarHBondContact O-CB 3.46Å; G316-L319 PolarHBondContact O-N 2.97Å; S317-L319 PolarHBondContact O-N 3.42Å
320K97.8Very high94.1Very high68 Ų6871 Ų7130%0.29637%0.373SS..EExtended strand (participates in β ladder)trans-72129.1172.2-66.7-168.8177-166.80109.4K258 L259 E263 A264K258-K320 PolarHBondContact O-NZ 3.08Å; L259-K320 HydrophobicContact CD2-CD 4.3Å; L259-K320 HydrophobicContact CD2-CG 4.1Å; E263-K320 IonicContact OE1-NZ 2.67Å; E263-K320 PolarHBondContact OE1-NZ 2.96Å; E263-K320 IonicContact OE2-NZ 3.94Å; E263-K320 PolarHBondContact OE2-NZ 2.96Å; A264-K320 WeakPolarHBondContact O-CA 3.3Å
321F98Very high93.3Very high50 Ų5072.4 Ų72.422%0.21938%0.382CS..EExtended strand (participates in β ladder)trans-93.4118.1179.9-167.4-92.3000109.9M128 A264 F266 F359 S360 P361M128-F321 HydrophobicContact CE-CD1 3.71Å; M128-F321 HydrophobicContact CE-CE1 3.76Å; M128-F321 HydrophobicContact CE-CG 4.25Å; M128-F321 HydrophobicContact CE-CZ 4.32Å; A264-F321 HydrophobicContact CB-CB 4.38Å; A264-F321 PolarHBondContact O-N 2.64Å; F266-F321 HydrophobicContact CB-CB 4.21Å; F266-F321 HydrophobicContact CB-CD2 3.66Å; F266-F321 HydrophobicContact CB-CE2 4.29Å; F266-F321 HydrophobicContact CB-CG 4Å; F266-F321 HydrophobicContact CG-CD2 4.5Å; F321-F359 HydrophobicContact CD1-CB 4.27Å; F321-F359 AromaticContact CD1-CD1 3.96Å; F321-F359 HydrophobicContact CD1-CD1 3.96Å; F321-F359 HydrophobicContact CE1-CB 4.11Å; F321-F359 HydrophobicContact CE1-CD1 4.42Å; F321-S360 WeakPolarHBondContact CZ-O 3.46Å; F321-P361 HydrophobicContact CZ-CB 4.38Å
322V97.4Very high91.7Very high127 Ų12775.5 Ų75.577%0.7740%0.4SS*.PPolyproline II helixtrans-91.7123.3-175.3-177.80000109.8
323G97.3Very high89.5Confident14 Ų1476.1 Ų76.114%0.14441%0.411CS..PPolyproline II helixtrans-81.5161.517400000112.9T358G323-T358 CarbonylContact C-O 3.12Å; G323-T358 VanDerWaalsContact CA-O 3.28Å; G323-T358 WeakPolarHBondContact CA-O 3.42Å
324Q97.7Very high87Confident137 Ų13782.2 Ų82.264%0.6444%0.442SS*.EExtended strand (participates in β ladder)trans-94.5118.8174.3-65.9-177.7-8.700110.2T358Q324-T358 PolarHBondContact N-O 2.87Å; Q324-T358 PolarHBondContact O-N 2.86Å
325T97.2Very high84.4Confident82 Ų8286.8 Ų86.850%0.50347%0.469SS..EExtended strand (participates in β ladder)trans-85.7134.4-180-55.60000112E355 I356 V357T325-E355 HydrophobicContact CG2-CB 4.12Å; T325-E355 HydrophobicContact CG2-CG 4.47Å; T325-E355 WeakPolarHBondContact CG2-OE2 3.27Å; T325-I356 CarbonylContact C-O 3.52Å; T325-I356 WeakPolarHBondContact CA-O 3.26Å; T325-V357 HydrophobicContact CG2-CG2 4.39Å
326K94.8Very high81.7Confident135 Ų13590 Ų9059%0.58749%0.488SS*.EExtended strand (participates in β ladder)trans-128.8132.4168.4-68.1-179.9-178.9173.30109.3E355 I356K326-E355 CarbonylContact O-C 3.6Å; K326-E355 WeakPolarHBondContact O-CA 3.07Å; K326-I356 PolarHBondContact N-O 2.93Å; K326-I356 PolarHBondContact O-N 2.83Å
327K92.9Very high78.8Confident176 Ų17695.2 Ų95.277%0.76552%0.518SS*.EExtended strand (participates in β ladder)trans-68.7141.6173-68.1-170.7176.6-171.40110.4
328I88.9Confident75.9Confident20 Ų2095.5 Ų95.510%0.10352%0.519CS..  trans-86.1135.2169.3-68.4174.6000108S354 I356 I371 I373 V380 F382I328-S354 PolarHBondContact N-O 2.86Å; I328-I356 HydrophobicContact CD1-CD1 4.44Å; I328-I356 HydrophobicContact CD1-CG1 3.76Å; I328-I356 HydrophobicContact CG1-CD1 4.24Å; I328-I356 HydrophobicContact CG1-CG1 3.73Å; I328-I371 HydrophobicContact CD1-CG2 4.27Å; I328-I373 HydrophobicContact CD1-CG1 4.08Å; I328-V380 HydrophobicContact CD1-CG1 4.46Å; I328-V380 HydrophobicContact CG2-CB 4.12Å; I328-V380 HydrophobicContact CG2-CG1 3.25Å; I328-V380 HydrophobicContact CG2-CG2 3.7Å; I328-F382 HydrophobicContact CD1-CE1 4.43Å; I328-F382 HydrophobicContact CD1-CZ 4.23Å
329V82.4Confident72.9Confident113 Ų11399.5 Ų99.569%0.68553%0.531SS*.  trans-97.4115.2170.9-176.50000108.1
330P79.7Confident70Confident24 Ų24106.9 Ų106.916%0.15657%0.571CS.*BIsolated β-bridgetrans-70152.4176.331.4-37.4000110.9N332 D377P330-N332 VanDerWaalsContact C-N 3.27Å; P330-N332 PolarHBondContact O-N 2.65Å; P330-D377 HydrophobicContact CB-CB 4.03Å; P330-D377 WeakPolarHBondContact CB-OD1 3.48Å; P330-D377 VanDerWaalsContact CG-OD1 3.27Å; P330-D377 WeakPolarHBondContact CG-OD1 3.26Å
331I78.6Confident66.9Low82 Ų82112.8 Ų112.842%0.42160%0.599SS.*G310 helixtrans-70.8-26.9176.7-56.8-179.4000111.2S333 I379 Q381 I454I331-S333 PolarHBondContact O-N 2.84Å; I331-S333 VanDerWaalsContact O-N 3.16Å; I331-I379 HydrophobicContact CB-CB 4.45Å; I331-I379 HydrophobicContact CB-CG2 4.28Å; I331-I379 HydrophobicContact CD1-CG2 3.67Å; I331-I379 HydrophobicContact CG1-CG2 4.22Å; I331-I379 PolarHBondContact N-O 2.81Å; I331-Q381 HydrophobicContact CD1-CB 3.94Å; I331-Q381 HydrophobicContact CG1-CB 4.31Å; I331-I454 HydrophobicContact CD1-CD1 4.12Å; I331-I454 HydrophobicContact CD1-CG2 4.48Å
332N64.2Low64Low85 Ų85119.3 Ų119.346%0.45563%0.63SS.*G310 helixtrans-78.410.1-175.8-71.1-2.9000114.4P330 D334P330-N332 VanDerWaalsContact C-N 3.27Å; P330-N332 PolarHBondContact O-N 2.65Å; N332-D334 PolarHBondContact O-N 2.88Å; N332-D334 VanDerWaalsContact O-N 3.12Å
333S50.4Low61Low74 Ų74123.5 Ų123.552%0.51764%0.638SS.*G310 helixtrans-67.4-11.2-174.565.80000115.2I331I331-S333 PolarHBondContact O-N 2.84Å; I331-S333 VanDerWaalsContact O-N 3.16Å
334D42.2Very low58Low149 Ų149131.6 Ų131.680%0.79767%0.669SS**G310 helixtrans-119.622.2-172.5-67.5-10000115.6N332N332-D334 PolarHBondContact O-N 2.88Å; N332-D334 VanDerWaalsContact O-N 3.12Å
335M38.3Very low55Low167 Ų167130.6 Ų130.682%0.82368%0.675SS**  trans-114.622.5178.1-91.6-112.3149.400116
336H38.3Very low52.3Low191 Ų191134.7 Ų134.788%0.88469%0.692SS**  trans-116.591.2159.5-78.9-60.9000110.9
337T31.5Very low49.7Very low126 Ų126136.5 Ų136.577%0.77370%0.702SS**  trans-50.6139.2153.146.40000110.3D339T337-D339 PolarHBondContact O-N 3.34Å
338S33.2Very low47.3Very low104 Ų104135.4 Ų135.473%0.72771%0.705SS**  trans-12118.116153.90000115.4
339D33.6Very low45.4Very low157 Ų157138.8 Ų138.884%0.8472%0.723SS**  trans-157.9130.7135.8-93.2-24.4000109.5T337 Q341T337-D339 PolarHBondContact O-N 3.34Å; D339-Q341 PolarHBondContact O-N 2.8Å
340D35.3Very low43.9Very low164 Ų164139.9 Ų139.988%0.87773%0.73SS**  trans-53.2113.9-179.2-67-55.3000112
341Q33.9Very low43.2Very low191 Ų191140.2 Ų140.289%0.89373%0.733SS**  trans-136.6133.9154.2-74.1-151.8-7.300111.9D339D339-Q341 PolarHBondContact O-N 2.8Å
342E35.9Very low42.8Very low188 Ų188139.1 Ų139.188%0.87973%0.73SS**  trans-46.6134.1-173.8-71171.6128.500113.2K344E342-K344 VanDerWaalsContact C-N 3.32Å; E342-K344 PolarHBondContact O-N 3.48Å
343K35Very low43.8Very low215 Ų215140.1 Ų140.194%0.93573%0.733SS**  trans-59.492.7167.7-69.5179.1178.3178.30109.4
344K33.6Very low45.8Very low184 Ų184137 Ų13780%0.871%0.712SS**  trans-59.4146.1158.2-85.2-176175.7178.90108.8E342 I346E342-K344 VanDerWaalsContact C-N 3.32Å; E342-K344 PolarHBondContact O-N 3.48Å; K344-I346 PolarHBondContact O-N 2.77Å
345P34.7Very low48.3Very low116 Ų116132.3 Ų132.375%0.75369%0.685SS**  trans-55.7139.1179.9-18.930.3000109.8E347P345-E347 PolarHBondContact O-N 2.7Å
346I41.2Very low51.1Low167 Ų167125.5 Ų125.586%0.85665%0.652SS**  trans-62.589.5173.6-58.2167000106.3K344K344-I346 PolarHBondContact O-N 2.77Å
347E39.2Very low53.9Low173 Ų173117.1 Ų117.181%0.80861%0.614SS**  trans-58.3138.3157-76.6-179.1171.100106.5P345 D349P345-E347 PolarHBondContact O-N 2.7Å; E347-D349 VanDerWaalsContact C-N 3.3Å; E347-D349 PolarHBondContact O-N 2.87Å
348D43.2Very low57.1Low154 Ų154112.3 Ų112.382%0.82458%0.584SS**  trans-50.295.1177.8-140.42.4000108T350D348-T350 PolarHBondContact O-N 2.74Å
349D49.3Very low60.2Low91 Ų91107.5 Ų107.549%0.48755%0.55SS.*  trans-73.587.3-171.9-172.11.5000107E347 S351 K376E347-D349 VanDerWaalsContact C-N 3.3Å; E347-D349 PolarHBondContact O-N 2.87Å; D349-S351 PolarHBondContact O-N 2.87Å; D349-S351 WeakPolarHBondContact OD1-CB 3.41Å; D349-S351 PolarHBondContact OD1-N 2.88Å; D349-S351 VanDerWaalsContact OD1-N 3.15Å; D349-S351 PolarHBondContact OD1-OG 3.15Å; D349-S351 PolarHBondContact OD2-OG 3.33Å; D349-S351 VanDerWaalsContact OD2-OG 3.12Å; D349-K376 IonicContact OD1-NZ 3.27Å; D349-K376 PolarHBondContact OD1-NZ 2.82Å; D349-K376 IonicContact OD2-NZ 2.8Å; D349-K376 PolarHBondContact OD2-NZ 2.83Å
350T51Low63.3Low136 Ų136102.6 Ų102.683%0.83453%0.528SS*.  trans-67.99.317551.40000112.7D348D348-T350 PolarHBondContact O-N 2.74Å
351S64.8Low66.2Low31 Ų3194.9 Ų94.922%0.21749%0.487CS..PPolyproline II helixtrans-62.7140.1175.961.80000111.8D349 M353 K376D349-S351 PolarHBondContact O-N 2.87Å; D349-S351 WeakPolarHBondContact OD1-CB 3.41Å; D349-S351 PolarHBondContact OD1-N 2.88Å; D349-S351 VanDerWaalsContact OD1-N 3.15Å; D349-S351 PolarHBondContact OD1-OG 3.15Å; D349-S351 PolarHBondContact OD2-OG 3.33Å; D349-S351 VanDerWaalsContact OD2-OG 3.12Å; S351-M353 PolarHBondContact O-N 3.49Å; S351-K376 PolarHBondContact OG-NZ 2.85Å
352V70.1Confident69.2Low58 Ų5891.1 Ų91.135%0.35248%0.479SS..PPolyproline II helixtrans-59.9120.61731720000108.1S374 D464V352-S374 WeakPolarHBondContact O-CB 3.38Å; V352-S374 PolarHBondContact O-OG 3.19Å; V352-D464 HydrophobicContact CB-CB 4.25Å; V352-D464 WeakPolarHBondContact CB-OD2 3.15Å; V352-D464 HydrophobicContact CG1-CB 4.27Å; V352-D464 HydrophobicContact CG2-CB 4.38Å; V352-D464 WeakPolarHBondContact CG2-OD2 3.38Å
353M84.4Confident72Confident106 Ų10683.2 Ų83.252%0.52244%0.444SS..PPolyproline II helixtrans-71.7137.6174.5-69.5-75.3171.400109.9S351 E355S351-M353 PolarHBondContact O-N 3.49Å; M353-E355 PolarHBondContact O-N 2.95Å
354S92.3Very high75Confident10 Ų1075.5 Ų75.57%0.0741%0.413CS..  trans-71.6110.1171-62.40000110.4I328 S372 S374 D377I328-S354 PolarHBondContact N-O 2.86Å; S354-S372 CarbonylContact C-O 3.44Å; S354-S372 VanDerWaalsContact CA-O 3.27Å; S354-S372 WeakPolarHBondContact CA-O 3.27Å; S354-S374 WeakPolarHBondContact OG-CB 3.5Å; S354-S374 PolarHBondContact OG-N 2.87Å; S354-D377 WeakPolarHBondContact CB-OD2 3.25Å; S354-D377 PolarHBondContact OG-OD2 3.02Å
355E95.6Very high78Confident49 Ų4967.1 Ų67.123%0.22938%0.377CS..EExtended strand (participates in β ladder)trans-151158.1-172.668.6179.2-163.300112.3T325 K326 M353 V357 S372T325-E355 HydrophobicContact CG2-CB 4.12Å; T325-E355 HydrophobicContact CG2-CG 4.47Å; T325-E355 WeakPolarHBondContact CG2-OE2 3.27Å; K326-E355 CarbonylContact O-C 3.6Å; K326-E355 WeakPolarHBondContact O-CA 3.07Å; M353-E355 PolarHBondContact O-N 2.95Å; E355-V357 HydrophobicContact CG-CG2 4.4Å; E355-S372 PolarHBondContact N-O 2.78Å; E355-S372 PolarHBondContact O-N 3.31Å
356I96.7Very high81Confident25 Ų2561.6 Ų61.613%0.12834%0.341CS..EExtended strand (participates in β ladder)trans-114.8122.8166.6-54.8179000107.3T325 K326 I328 D369 K370 I371 F382T325-I356 CarbonylContact C-O 3.52Å; T325-I356 WeakPolarHBondContact CA-O 3.26Å; K326-I356 PolarHBondContact N-O 2.93Å; K326-I356 PolarHBondContact O-N 2.83Å; I328-I356 HydrophobicContact CD1-CD1 4.44Å; I328-I356 HydrophobicContact CD1-CG1 3.76Å; I328-I356 HydrophobicContact CG1-CD1 4.24Å; I328-I356 HydrophobicContact CG1-CG1 3.73Å; I356-D369 HydrophobicContact CG2-CB 3.71Å; I356-K370 CarbonylContact C-O 3.49Å; I356-K370 WeakPolarHBondContact CA-O 3.26Å; I356-I371 HydrophobicContact CG1-CG1 4.41Å; I356-F382 HydrophobicContact CD1-CD1 4.03Å; I356-F382 HydrophobicContact CD1-CE1 3.65Å; I356-F382 HydrophobicContact CG1-CE1 4.28Å
357V98Very high83.8Confident15 Ų1553.7 Ų53.79%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-102.9109.8168.3-175.20000107.9T325 E355 F359 D369 K370T325-V357 HydrophobicContact CG2-CG2 4.39Å; E355-V357 HydrophobicContact CG-CG2 4.4Å; V357-F359 HydrophobicContact CB-CE2 4.26Å; V357-F359 HydrophobicContact CB-CZ 4.42Å; V357-F359 HydrophobicContact CG1-CE1 4.12Å; V357-F359 HydrophobicContact CG1-CE2 3.85Å; V357-F359 HydrophobicContact CG1-CZ 3.63Å; V357-D369 WeakPolarHBondContact O-CA 3.4Å; V357-K370 HydrophobicContact CB-CB 4.34Å; V357-K370 PolarHBondContact N-O 3.13Å; V357-K370 PolarHBondContact O-N 2.88Å
358T98.3Very high86.6Confident24 Ų2445.5 Ų45.515%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-92.6119.3-179.5-64.70000110.7G323 Q324 D369G323-T358 CarbonylContact C-O 3.12Å; G323-T358 VanDerWaalsContact CA-O 3.28Å; G323-T358 WeakPolarHBondContact CA-O 3.42Å; Q324-T358 PolarHBondContact N-O 2.87Å; Q324-T358 PolarHBondContact O-N 2.86Å; T358-D369 WeakPolarHBondContact CA-OD1 3.23Å; T358-D369 VanDerWaalsContact CB-OD1 3.26Å; T358-D369 WeakPolarHBondContact CB-OD1 3.29Å; T358-D369 VanDerWaalsContact CG2-OD1 3.29Å; T358-D369 WeakPolarHBondContact CG2-OD1 3.26Å; T358-D369 PolarHBondContact OG1-OD1 2.83Å
359F98.5Very high89.2Confident4 Ų438.2 Ų38.22%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-100.3101.8171.4-54.7-85.6000109M128 I130 G262 A264 F321 V357 P361 A367 V368 K370M128-F359 HydrophobicContact CE-CB 4.03Å; M128-F359 HydrophobicContact SD-CB 3.46Å; M128-F359 WeakPolarHBondContact SD-CB 3.39Å; M128-F359 HydrophobicContact SD-CG 4.25Å; I130-F359 HydrophobicContact CD1-CD2 3.52Å; I130-F359 HydrophobicContact CD1-CE2 3.79Å; I130-F359 HydrophobicContact CD1-CG 4.2Å; I130-F359 HydrophobicContact CG1-CD2 4.27Å; I130-F359 HydrophobicContact CG1-CE2 4.32Å; I130-F359 HydrophobicContact CG2-CE2 4.13Å; I130-F359 HydrophobicContact CG2-CZ 4.21Å; G262-F359 WeakPolarHBondContact O-CZ 3.39Å; A264-F359 HydrophobicContact CB-CD1 3.77Å; A264-F359 HydrophobicContact CB-CE1 3.57Å; A264-F359 HydrophobicContact CB-CG 4.48Å; A264-F359 HydrophobicContact CB-CZ 4.18Å; F321-F359 HydrophobicContact CD1-CB 4.27Å; F321-F359 AromaticContact CD1-CD1 3.96Å; F321-F359 HydrophobicContact CD1-CD1 3.96Å; F321-F359 HydrophobicContact CE1-CB 4.11Å; F321-F359 HydrophobicContact CE1-CD1 4.42Å; V357-F359 HydrophobicContact CB-CE2 4.26Å; V357-F359 HydrophobicContact CB-CZ 4.42Å; V357-F359 HydrophobicContact CG1-CE1 4.12Å; V357-F359 HydrophobicContact CG1-CE2 3.85Å; V357-F359 HydrophobicContact CG1-CZ 3.63Å; F359-P361 WeakPolarHBondContact O-CD 3.5Å; F359-A367 WeakPolarHBondContact O-CA 3.43Å; F359-V368 PolarHBondContact N-O 2.87Å; F359-V368 PolarHBondContact O-N 2.79Å; F359-K370 HydrophobicContact CE2-CB 4.04Å
360S97.6Very high91.5Very high54 Ų5435.7 Ų35.738%0.37821%0.208SC..  trans-111.891.6-179.41790000109.3F321 N473F321-S360 WeakPolarHBondContact CZ-O 3.46Å; S360-N473 VanDerWaalsContact OG-CG 3.27Å; S360-N473 PolarHBondContact OG-ND2 2.89Å; S360-N473 PolarHBondContact OG-OD1 3.48Å
361P97.2Very high93.7Very high2 Ų229.3 Ų29.31%0.01317%0.169CC..  trans-68.4163.6176.329.8-33.2000111.3M128 F266 F321 F359 V363 F366 N473M128-P361 HydrophobicContact CE-CB 3.75Å; M128-P361 HydrophobicContact CE-CG 3.7Å; F266-P361 HydrophobicContact CD1-CB 4.26Å; F266-P361 HydrophobicContact CD2-CB 3.52Å; F266-P361 HydrophobicContact CD2-CG 4.25Å; F266-P361 HydrophobicContact CE1-CB 4.17Å; F266-P361 HydrophobicContact CE2-CB 3.44Å; F266-P361 VanDerWaalsContact CE2-CB 3.44Å; F266-P361 HydrophobicContact CE2-CG 4.07Å; F266-P361 HydrophobicContact CG-CB 3.95Å; F266-P361 HydrophobicContact CZ-CB 3.78Å; F321-P361 HydrophobicContact CZ-CB 4.38Å; F359-P361 WeakPolarHBondContact O-CD 3.5Å; P361-V363 HydrophobicContact CB-CG2 4.16Å; P361-V363 HydrophobicContact CG-CG2 3.76Å; P361-V363 PolarHBondContact O-N 2.8Å; P361-F366 WeakPolarHBondContact CD-O 3.18Å; P361-F366 HydrophobicContact CG-CD2 4.1Å; P361-F366 HydrophobicContact CG-CE2 3.67Å; P361-F366 HydrophobicContact CG-CZ 4.13Å; P361-F366 WeakPolarHBondContact CG-O 3.44Å; P361-N473 PolarHBondContact O-ND2 3.26Å
362P96.2Very high95.2Very high112 Ų11228.3 Ų28.373%0.72716%0.161SC*.SBendtrans-76.649.5-179.634.5-38.1000112.6F266F266-P362 HydrophobicContact CE1-CG 4.02Å
363V96.2Very high96.3Very high21 Ų2125.5 Ų25.513%0.12715%0.145CC..SBendtrans-139147.8175.3-63.10000109.4P126 F266 P361 D365 F366 N473P126-V363 HydrophobicContact CB-CG1 4.01Å; P126-V363 HydrophobicContact CB-CG2 4.47Å; P126-V363 HydrophobicContact CG-CB 4.39Å; P126-V363 HydrophobicContact CG-CG1 3.95Å; P126-V363 HydrophobicContact CG-CG2 4.28Å; F266-V363 HydrophobicContact CE2-CG2 4.42Å; F266-V363 HydrophobicContact CZ-CG1 4.02Å; F266-V363 HydrophobicContact CZ-CG2 4.42Å; P361-V363 HydrophobicContact CB-CG2 4.16Å; P361-V363 HydrophobicContact CG-CG2 3.76Å; P361-V363 PolarHBondContact O-N 2.8Å; V363-D365 VanDerWaalsContact C-N 3.31Å; V363-F366 HydrophobicContact CG2-CD1 4.4Å; V363-F366 HydrophobicContact CG2-CE1 4.13Å; V363-F366 HydrophobicContact CG2-CZ 4.43Å; V363-N473 WeakPolarHBondContact O-CB 3.17Å; V363-N473 PolarHBondContact O-ND2 2.7Å
364D96.6Very high96.6Very high54 Ų5420.7 Ų20.729%0.28912%0.121SC..SBendtrans-78.4-20.4178.9-62.6-25.2000112.1R79 F80 F366 N473 V474R79-D364 IonicContact CZ-OD2 3.67Å; R79-D364 IonicContact NE-OD2 2.65Å; R79-D364 PolarHBondContact NE-OD2 2.83Å; R79-D364 IonicContact NH2-OD2 3.14Å; R79-D364 PolarHBondContact NH2-OD2 2.81Å; F80-D364 HydrophobicContact CE2-CB 4.07Å; F80-D364 HydrophobicContact CZ-CB 3.67Å; D364-F366 VanDerWaalsContact C-N 3.33Å; D364-F366 PolarHBondContact O-N 3.37Å; D364-N473 PolarHBondContact O-N 3.2Å; D364-V474 HydrophobicContact CB-CG1 4.05Å
365D97.3Very high96.3Very high8 Ų822 Ų224%0.04313%0.127CC..SBendtrans-62.1-39.1-168.5-58.5-102.6000112.1F80 P85 F86 H124 A285 V363F80-D365 HydrophobicContact CZ-CB 4.43Å; P85-D365 WeakPolarHBondContact CG-O 3.47Å; F86-D365 WeakPolarHBondContact CD1-O 3.35Å; H124-D365 IonicContact CE1-OD2 3.54Å; H124-D365 IonicContact NE2-OD1 2.77Å; H124-D365 IonicContact NE2-OD2 3.53Å; H124-D365 PolarHBondContact NE2-OD2 3.5Å; A285-D365 HydrophobicContact CB-CB 3.79Å; A285-D365 WeakPolarHBondContact CB-OD1 3.21Å; V363-D365 VanDerWaalsContact C-N 3.31Å
366F98.2Very high95.7Very high0 Ų025.2 Ų25.20%014%0.141CC..  trans-159.4155.2-179.264.7-89.5000114.3F86 P126 M128 F266 C283 P361 V363 D364 V368 Y471 N473F86-F366 HydrophobicContact CB-CB 3.8Å; F86-F366 HydrophobicContact CD1-CB 4.28Å; F86-F366 HydrophobicContact CG-CB 4.14Å; P126-F366 HydrophobicContact CG-CE1 4.36Å; P126-F366 WeakPolarHBondContact O-CE1 3.25Å; M128-F366 HydrophobicContact CB-CE2 3.62Å; M128-F366 HydrophobicContact CB-CZ 4.03Å; M128-F366 HydrophobicContact CE-CE2 4.49Å; F266-F366 HydrophobicContact CE2-CZ 4.19Å; C283-F366 HydrophobicContact CB-CD2 3.84Å; C283-F366 HydrophobicContact CB-CE2 4.11Å; C283-F366 HydrophobicContact CB-CG 4.3Å; C283-F366 VanDerWaalsContact O-CZ 3.31Å; C283-F366 WeakPolarHBondContact O-CZ 3.35Å; C283-F366 VanDerWaalsContact SG-CB 3.6Å; C283-F366 VanDerWaalsContact SG-CG 3.6Å; P361-F366 WeakPolarHBondContact CD-O 3.18Å; P361-F366 HydrophobicContact CG-CD2 4.1Å; P361-F366 HydrophobicContact CG-CE2 3.67Å; P361-F366 HydrophobicContact CG-CZ 4.13Å; P361-F366 WeakPolarHBondContact CG-O 3.44Å; V363-F366 HydrophobicContact CG2-CD1 4.4Å; V363-F366 HydrophobicContact CG2-CE1 4.13Å; V363-F366 HydrophobicContact CG2-CZ 4.43Å; D364-F366 VanDerWaalsContact C-N 3.33Å; D364-F366 PolarHBondContact O-N 3.37Å; F366-V368 HydrophobicContact CD2-CG2 4.25Å; F366-Y471 CarbonylContact C-O 3.58Å; F366-Y471 WeakPolarHBondContact CA-O 3.44Å; F366-N473 VanDerWaalsContact C-CB 3.46Å; F366-N473 WeakPolarHBondContact O-CB 3.44Å
367A98.3Very high95.2Very high0 Ų025.7 Ų25.70%014%0.143CC..EExtended strand (participates in β ladder)trans-132.7157.2157.800000108.4F359 A470 Y471 N473F359-A367 WeakPolarHBondContact O-CA 3.43Å; A367-A470 WeakPolarHBondContact O-CA 3.22Å; A367-Y471 HydrophobicContact CB-CD2 4.29Å; A367-Y471 HydrophobicContact CB-CE2 3.7Å; A367-Y471 PolarHBondContact N-O 3.16Å; A367-Y471 PolarHBondContact O-N 3.11Å; A367-Y471 VanDerWaalsContact O-N 3.12Å; A367-N473 HydrophobicContact CB-CB 3.83Å
368V98.7Very high94.5Very high1 Ų127.5 Ų27.51%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-128.7130-179.2-172.60000110F88 M128 I130 C283 F359 F366 F468 R469 A470F88-V368 HydrophobicContact CE2-CG1 4.13Å; F88-V368 HydrophobicContact CE2-CG2 4.44Å; F88-V368 HydrophobicContact CZ-CG1 4.29Å; M128-V368 HydrophobicContact SD-CG2 4.48Å; I130-V368 HydrophobicContact CD1-CB 3.89Å; I130-V368 HydrophobicContact CD1-CG1 3.54Å; C283-V368 HydrophobicContact CB-CG2 3.43Å; C283-V368 VanDerWaalsContact CB-CG2 3.43Å; F359-V368 PolarHBondContact N-O 2.87Å; F359-V368 PolarHBondContact O-N 2.79Å; F366-V368 HydrophobicContact CD2-CG2 4.25Å; V368-F468 HydrophobicContact CG1-CD1 4.17Å; V368-R469 CarbonylContact C-O 3.6Å; V368-R469 WeakPolarHBondContact CA-O 3.46Å; V368-A470 HydrophobicContact CG2-CB 4.45Å
369D98.3Very high94Very high2 Ų228.3 Ų28.31%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-101.5129.8168.5-68.9-13.7000109.6I356 V357 T358 I371 F468 R469 Y471I356-D369 HydrophobicContact CG2-CB 3.71Å; V357-D369 WeakPolarHBondContact O-CA 3.4Å; T358-D369 WeakPolarHBondContact CA-OD1 3.23Å; T358-D369 VanDerWaalsContact CB-OD1 3.26Å; T358-D369 WeakPolarHBondContact CB-OD1 3.29Å; T358-D369 VanDerWaalsContact CG2-OD1 3.29Å; T358-D369 WeakPolarHBondContact CG2-OD1 3.26Å; T358-D369 PolarHBondContact OG1-OD1 2.83Å; D369-I371 HydrophobicContact CB-CG1 4.34Å; D369-F468 CarbonylContact O-C 3.58Å; D369-F468 VanDerWaalsContact O-CA 3.25Å; D369-F468 WeakPolarHBondContact O-CA 3.49Å; D369-R469 HydrophobicContact CB-CG 3.72Å; D369-R469 PolarHBondContact N-O 3.34Å; D369-R469 PolarHBondContact O-N 2.89Å; D369-R469 IonicContact OD2-CZ 3.55Å; D369-R469 IonicContact OD2-NE 2.82Å; D369-R469 PolarHBondContact OD2-NE 2.95Å; D369-R469 IonicContact OD2-NH2 2.77Å; D369-R469 PolarHBondContact OD2-NH2 3.46Å; D369-Y471 HydrophobicContact CB-CE1 4.38Å; D369-Y471 PolarHBondContact OD1-OH 2.8Å; D369-Y471 WeakPolarHBondContact OD2-CE1 3.38Å; D369-Y471 PolarHBondContact OD2-OH 3.12Å
370K98.3Very high93.7Very high37 Ų3728.1 Ų28.116%0.16115%0.152CC..EExtended strand (participates in β ladder)trans-87.9123.3158.8176.8-172.9170.8-163.50107.9I356 V357 F359 L466 F468I356-K370 CarbonylContact C-O 3.49Å; I356-K370 WeakPolarHBondContact CA-O 3.26Å; V357-K370 HydrophobicContact CB-CB 4.34Å; V357-K370 PolarHBondContact N-O 3.13Å; V357-K370 PolarHBondContact O-N 2.88Å; F359-K370 HydrophobicContact CE2-CB 4.04Å; K370-L466 HydrophobicContact CG-CD1 4.05Å; K370-F468 HydrophobicContact CB-CD1 3.94Å; K370-F468 HydrophobicContact CB-CE1 3.57Å; K370-F468 HydrophobicContact CB-CZ 4.1Å; K370-F468 HydrophobicContact CD-CE1 4.28Å; K370-F468 HydrophobicContact CD-CZ 4.1Å; K370-F468 HydrophobicContact CG-CD1 4.38Å; K370-F468 HydrophobicContact CG-CE1 3.74Å; K370-F468 HydrophobicContact CG-CE2 4.33Å; K370-F468 HydrophobicContact CG-CZ 3.71Å
371I97.3Very high93.4Very high3 Ų329.1 Ų29.12%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-111.5116.7-179.7-59.5169.4000107.6I328 I356 D369 I373 F382 L391 A467 R469I328-I371 HydrophobicContact CD1-CG2 4.27Å; I356-I371 HydrophobicContact CG1-CG1 4.41Å; D369-I371 HydrophobicContact CB-CG1 4.34Å; I371-I373 HydrophobicContact CG2-CD1 4.27Å; I371-I373 HydrophobicContact CG2-CG1 3.98Å; I371-F382 HydrophobicContact CD1-CE1 3.87Å; I371-F382 HydrophobicContact CD1-CZ 4.29Å; I371-F382 HydrophobicContact CG1-CE1 4.29Å; I371-F382 HydrophobicContact CG2-CE1 3.98Å; I371-F382 HydrophobicContact CG2-CZ 3.64Å; I371-L391 HydrophobicContact CD1-CD1 4.21Å; I371-A467 HydrophobicContact CB-CB 4.33Å; I371-A467 PolarHBondContact N-O 3.45Å; I371-A467 PolarHBondContact O-N 3.16Å; I371-R469 HydrophobicContact CD1-CG 4.01Å
372S95.6Very high93.1Very high9 Ų929.3 Ų29.36%0.06315%0.152CC..EExtended strand (participates in β ladder)trans-111.7129.9170.9-49.90000107.7S354 E355 L465S354-S372 CarbonylContact C-O 3.44Å; S354-S372 VanDerWaalsContact CA-O 3.27Å; S354-S372 WeakPolarHBondContact CA-O 3.27Å; E355-S372 PolarHBondContact N-O 2.78Å; E355-S372 PolarHBondContact O-N 3.31Å; S372-L465 WeakPolarHBondContact CA-O 3.47Å
373I93.6Very high92.8Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-127.6121.1172.6-46.7-179.1000108.4I328 I371 D377 V380 F382 V455 D464 L465I328-I373 HydrophobicContact CD1-CG1 4.08Å; I371-I373 HydrophobicContact CG2-CD1 4.27Å; I371-I373 HydrophobicContact CG2-CG1 3.98Å; I373-D377 HydrophobicContact CG2-CB 3.77Å; I373-V380 HydrophobicContact CD1-CB 3.97Å; I373-V380 HydrophobicContact CD1-CG1 4.19Å; I373-V380 HydrophobicContact CD1-CG2 4.01Å; I373-V380 HydrophobicContact CG2-CG2 3.66Å; I373-F382 HydrophobicContact CD1-CE2 4.17Å; I373-F382 HydrophobicContact CD1-CZ 4.06Å; I373-V455 HydrophobicContact CD1-CB 4.29Å; I373-V455 HydrophobicContact CD1-CG1 4.08Å; I373-D464 WeakPolarHBondContact O-CA 3.3Å; I373-D464 WeakPolarHBondContact O-CB 3.21Å; I373-L465 HydrophobicContact CB-CB 3.95Å; I373-L465 HydrophobicContact CB-CD2 4.44Å; I373-L465 HydrophobicContact CD1-CD2 3.5Å; I373-L465 HydrophobicContact CG1-CB 4.27Å; I373-L465 HydrophobicContact CG1-CD2 3.89Å; I373-L465 PolarHBondContact N-O 2.84Å; I373-L465 PolarHBondContact O-N 2.79Å
374S90.6Very high92.6Very high4 Ų429.9 Ų29.93%0.02816%0.158CC..  trans-54.9142.9174.6-176.60000110.7V352 S354 K376 D377 Q457 D464V352-S374 WeakPolarHBondContact O-CB 3.38Å; V352-S374 PolarHBondContact O-OG 3.19Å; S354-S374 WeakPolarHBondContact OG-CB 3.5Å; S354-S374 PolarHBondContact OG-N 2.87Å; S374-K376 PolarHBondContact O-N 3.18Å; S374-K376 VanDerWaalsContact O-N 3.11Å; S374-K376 WeakPolarHBondContact OG-CB 3.46Å; S374-K376 PolarHBondContact OG-N 3.49Å; S374-D377 PolarHBondContact O-N 3.37Å; S374-Q457 PolarHBondContact O-NE2 2.78Å; S374-D464 WeakPolarHBondContact CA-OD1 3.47Å
375D85.4Confident92.4Very high37 Ų3729.3 Ų29.320%0.19816%0.155CC..THydrogen-bonded Turntrans-52.7-24.9166.472.9-24.8000114.2D377 K378 D464D375-D377 VanDerWaalsContact C-N 3.33Å; D375-K378 WeakPolarHBondContact O-CD 3.43Å; D375-K378 WeakPolarHBondContact O-CE 3.2Å; D375-K378 PolarHBondContact O-NZ 3.5Å; D375-D464 PolarHBondContact N-OD1 2.83Å
376K84Confident92.2Very high117 Ų11733.6 Ų33.651%0.50917%0.173SC..THydrogen-bonded Turntrans-66.7-32.4173.7-64.2171.3-175.3164.20112.3D349 S351 S374 K378D349-K376 IonicContact OD1-NZ 3.27Å; D349-K376 PolarHBondContact OD1-NZ 2.82Å; D349-K376 IonicContact OD2-NZ 2.8Å; D349-K376 PolarHBondContact OD2-NZ 2.83Å; S351-K376 PolarHBondContact OG-NZ 2.85Å; S374-K376 PolarHBondContact O-N 3.18Å; S374-K376 VanDerWaalsContact O-N 3.11Å; S374-K376 WeakPolarHBondContact OG-CB 3.46Å; S374-K376 PolarHBondContact OG-N 3.49Å; K376-K378 PolarHBondContact O-N 2.98Å
377D84.4Confident92.1Very high35 Ų3534 Ų3419%0.18718%0.175CC..  trans-94.182.2-174.2-69.6-31000111.6P330 S354 I373 S374 D375 I379 V380 Q457P330-D377 HydrophobicContact CB-CB 4.03Å; P330-D377 WeakPolarHBondContact CB-OD1 3.48Å; P330-D377 VanDerWaalsContact CG-OD1 3.27Å; P330-D377 WeakPolarHBondContact CG-OD1 3.26Å; S354-D377 WeakPolarHBondContact CB-OD2 3.25Å; S354-D377 PolarHBondContact OG-OD2 3.02Å; I373-D377 HydrophobicContact CG2-CB 3.77Å; S374-D377 PolarHBondContact O-N 3.37Å; D375-D377 VanDerWaalsContact C-N 3.33Å; D377-I379 VanDerWaalsContact C-N 3.33Å; D377-I379 PolarHBondContact O-N 3.33Å; D377-V380 HydrophobicContact CB-CG2 4.27Å; D377-Q457 PolarHBondContact O-NE2 3.13Å
378K83.3Confident92.1Very high53 Ų5334 Ų3423%0.2318%0.175CC..  trans-65.6-31.5-173.4-59.8-55.6-175.9-1650114.4D375 K376 H456 Q457D375-K378 WeakPolarHBondContact O-CD 3.43Å; D375-K378 WeakPolarHBondContact O-CE 3.2Å; D375-K378 PolarHBondContact O-NZ 3.5Å; K376-K378 PolarHBondContact O-N 2.98Å; K378-H456 CarbonylContact O-C 3.6Å; K378-H456 WeakPolarHBondContact O-CA 3.02Å; K378-Q457 PolarHBondContact O-N 2.87Å
379I89.2Confident92Very high41 Ų4134.1 Ų34.121%0.2118%0.176CC..EExtended strand (participates in β ladder)trans-133.1119.1-174.8-48.9-179.1000110.1I331 D377 I454 V455I331-I379 HydrophobicContact CB-CB 4.45Å; I331-I379 HydrophobicContact CB-CG2 4.28Å; I331-I379 HydrophobicContact CD1-CG2 3.67Å; I331-I379 HydrophobicContact CG1-CG2 4.22Å; I331-I379 PolarHBondContact N-O 2.81Å; D377-I379 VanDerWaalsContact C-N 3.33Å; D377-I379 PolarHBondContact O-N 3.33Å; I379-I454 HydrophobicContact CG2-CG2 3.43Å; I379-I454 VanDerWaalsContact CG2-CG2 3.43Å; I379-V455 WeakPolarHBondContact CA-O 3.36Å
380V91.2Very high92.1Very high1 Ų134 Ų341%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-129.3131.7180171.30000110.3I328 I373 D377 F382 I454 V455I328-V380 HydrophobicContact CD1-CG1 4.46Å; I328-V380 HydrophobicContact CG2-CB 4.12Å; I328-V380 HydrophobicContact CG2-CG1 3.25Å; I328-V380 HydrophobicContact CG2-CG2 3.7Å; I373-V380 HydrophobicContact CD1-CB 3.97Å; I373-V380 HydrophobicContact CD1-CG1 4.19Å; I373-V380 HydrophobicContact CD1-CG2 4.01Å; I373-V380 HydrophobicContact CG2-CG2 3.66Å; D377-V380 HydrophobicContact CB-CG2 4.27Å; V380-F382 HydrophobicContact CB-CE2 4.26Å; V380-F382 HydrophobicContact CG1-CD2 4.11Å; V380-F382 HydrophobicContact CG1-CE2 3.5Å; V380-F382 HydrophobicContact CG1-CZ 3.82Å; V380-I454 CarbonylContact O-C 3.48Å; V380-I454 WeakPolarHBondContact O-CA 3.08Å; V380-V455 PolarHBondContact N-O 2.82Å; V380-V455 PolarHBondContact O-N 3.01Å
381Q91.1Very high92.1Very high74 Ų7432.4 Ų32.435%0.34617%0.169SC..EExtended strand (participates in β ladder)trans-100135.4174.5-175.6173.6-55.400111.6I331 L403 I454I331-Q381 HydrophobicContact CD1-CB 3.94Å; I331-Q381 HydrophobicContact CG1-CB 4.31Å; Q381-L403 HydrophobicContact CG-CD1 4.15Å; Q381-I454 HydrophobicContact CB-CG1 4.25Å; Q381-I454 HydrophobicContact CG-CG1 4.19Å
382F92.3Very high92.1Very high7 Ų732.2 Ų32.23%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-107.5125.4172-67.1-94.8000110.1I328 I356 I371 I373 V380 F453 V455I328-F382 HydrophobicContact CD1-CE1 4.43Å; I328-F382 HydrophobicContact CD1-CZ 4.23Å; I356-F382 HydrophobicContact CD1-CD1 4.03Å; I356-F382 HydrophobicContact CD1-CE1 3.65Å; I356-F382 HydrophobicContact CG1-CE1 4.28Å; I371-F382 HydrophobicContact CD1-CE1 3.87Å; I371-F382 HydrophobicContact CD1-CZ 4.29Å; I371-F382 HydrophobicContact CG1-CE1 4.29Å; I371-F382 HydrophobicContact CG2-CE1 3.98Å; I371-F382 HydrophobicContact CG2-CZ 3.64Å; I373-F382 HydrophobicContact CD1-CE2 4.17Å; I373-F382 HydrophobicContact CD1-CZ 4.06Å; V380-F382 HydrophobicContact CB-CE2 4.26Å; V380-F382 HydrophobicContact CG1-CD2 4.11Å; V380-F382 HydrophobicContact CG1-CE2 3.5Å; V380-F382 HydrophobicContact CG1-CZ 3.82Å; F382-F453 HydrophobicContact CB-CD1 4.01Å; F382-F453 HydrophobicContact CB-CD2 4.23Å; F382-F453 HydrophobicContact CB-CE1 3.6Å; F382-F453 HydrophobicContact CB-CE2 3.85Å; F382-F453 HydrophobicContact CB-CG 4.32Å; F382-F453 HydrophobicContact CB-CZ 3.52Å; F382-F453 HydrophobicContact CD1-CZ 4.14Å; F382-F453 AromaticContact CD2-CD2 3.9Å; F382-F453 HydrophobicContact CD2-CD2 3.9Å; F382-F453 AromaticContact CD2-CE2 3.3Å; F382-F453 HydrophobicContact CD2-CE2 3.3Å; F382-F453 AromaticContact CD2-CZ 3.7Å; F382-F453 HydrophobicContact CD2-CZ 3.7Å; F382-F453 AromaticContact CE2-CE2 3.98Å; F382-F453 HydrophobicContact CE2-CE2 3.98Å; F382-F453 HydrophobicContact CE2-CZ 4.48Å; F382-F453 HydrophobicContact CG-CD2 4.36Å; F382-F453 HydrophobicContact CG-CE1 4.13Å; F382-F453 AromaticContact CG-CE2 3.64Å; F382-F453 HydrophobicContact CG-CE2 3.64Å; F382-F453 AromaticContact CG-CZ 3.5Å; F382-F453 HydrophobicContact CG-CZ 3.5Å; F382-F453 PolarHBondContact N-O 2.82Å; F382-F453 PolarHBondContact O-N 2.8Å; F382-V455 HydrophobicContact CD2-CG2 4.06Å; F382-V455 HydrophobicContact CE2-CB 4.27Å; F382-V455 HydrophobicContact CE2-CG2 3.59Å
383S89.6Confident92.2Very high88 Ų8832 Ų3262%0.61517%0.166SC*.PPolyproline II helixtrans-65150.5172.5-70.10000111.2
384P91Very high92.4Very high56 Ų5632 Ų3236%0.36417%0.166SC..PPolyproline II helixtrans-67138.2-178.627.8-32.2000111.4G450 A452P384-G450 WeakPolarHBondContact CB-O 3.31Å; P384-A452 HydrophobicContact CB-CB 4.46Å
385L93.7Very high92.6Very high43 Ų4337.8 Ų37.823%0.22519%0.187CC..PPolyproline II helixtrans-90.1149.2169.6-64.8-176.6000110.6S387 G450 Y471L385-S387 PolarHBondContact O-N 2.92Å; L385-G450 PolarHBondContact O-N 2.95Å; L385-Y471 HydrophobicContact CD1-CD1 3.74Å; L385-Y471 HydrophobicContact CD1-CD2 4.19Å; L385-Y471 HydrophobicContact CD1-CE1 4.04Å; L385-Y471 HydrophobicContact CD1-CE2 4.45Å; L385-Y471 HydrophobicContact CD1-CG 3.82Å
386K92.9Very high92.9Very high98 Ų9836.5 Ų36.543%0.42618%0.183SC..SBendtrans-72.4-10173.7-64.3-169.7-174.5166.30113.1G73 A449 T476 D477G73-K386 WeakPolarHBondContact CA-O 3.24Å; K386-A449 WeakPolarHBondContact O-CB 3.36Å; K386-T476 HydrophobicContact CB-CG2 4.02Å; K386-T476 HydrophobicContact CD-CG2 3.82Å; K386-T476 HydrophobicContact CG-CG2 4.05Å; K386-T476 VanDerWaalsContact NZ-C 3.26Å; K386-T476 PolarHBondContact NZ-O 3.12Å; K386-D477 PolarHBondContact NZ-O 3.44Å
387S96.4Very high93.3Very high7 Ų735.7 Ų35.75%0.04918%0.18CC..SBendtrans-110.6148.6176.5173.60000111.1L72 L385 T389 A472L72-S387 CarbonylContact O-C 3.53Å; L72-S387 WeakPolarHBondContact O-CA 3.4Å; L385-S387 PolarHBondContact O-N 2.92Å; S387-T389 PolarHBondContact O-OG1 2.92Å; S387-A472 PolarHBondContact OG-N 2.78Å
388A97.2Very high93.8Very high0 Ų034 Ų340%017%0.171CC..  trans-53.9150.8159.500000111C71 L72 F446 I447 Y471C71-A388 WeakPolarHBondContact O-CB 3.43Å; L72-A388 HydrophobicContact CD2-CB 3.98Å; L72-A388 PolarHBondContact O-N 3.05Å; A388-F446 HydrophobicContact CB-CE1 4.4Å; A388-F446 HydrophobicContact CB-CE2 3.8Å; A388-F446 HydrophobicContact CB-CZ 3.52Å; A388-I447 CarbonylContact C-O 3.23Å; A388-I447 WeakPolarHBondContact CA-O 3.38Å; A388-Y471 WeakPolarHBondContact O-CB 3.44Å
389T97.8Very high94.3Very high4 Ų433.1 Ų33.13%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-133.9138.8-173.8-620000110.5S387 F446 I447 R469 A470S387-T389 PolarHBondContact O-OG1 2.92Å; T389-F446 WeakPolarHBondContact O-CA 3.44Å; T389-I447 PolarHBondContact N-O 2.97Å; T389-I447 PolarHBondContact O-N 3.19Å; T389-R469 HydrophobicContact CG2-CB 3.55Å; T389-R469 HydrophobicContact CG2-CG 4.12Å; T389-A470 WeakPolarHBondContact CA-O 3.04Å
390V98.5Very high94.5Very high0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-106.2115.9164.9-178.50000107.9M43 L84 F86 F88 V444 F445 F446 R469 A470M43-V390 HydrophobicContact CB-CG1 3.74Å; L84-V390 HydrophobicContact CD2-CG2 4.02Å; F86-V390 HydrophobicContact CE2-CB 4.26Å; F86-V390 HydrophobicContact CE2-CG2 3.94Å; F86-V390 HydrophobicContact CZ-CG2 4.15Å; F88-V390 HydrophobicContact CD1-CB 4.32Å; F88-V390 HydrophobicContact CD1-CG1 4Å; V390-V444 HydrophobicContact CG1-CG1 3.98Å; V390-F445 CarbonylContact C-O 3.53Å; V390-F445 WeakPolarHBondContact CA-O 3.33Å; V390-F446 HydrophobicContact CG2-CD2 4.25Å; V390-R469 CarbonylContact O-C 3.59Å; V390-R469 WeakPolarHBondContact O-CA 3.39Å; V390-A470 PolarHBondContact N-O 3.45Å; V390-A470 PolarHBondContact O-N 3.48Å
391L98.5Very high94.6Very high3 Ų333 Ų332%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-107.5131.7-179.717473.6000109.6I371 I393 L400 V444 F445 I447 A467 F468 R469I371-L391 HydrophobicContact CD1-CD1 4.21Å; L391-I393 HydrophobicContact CD2-CD1 4.31Å; L391-I393 HydrophobicContact CG-CD1 4.36Å; L391-L400 HydrophobicContact CD2-CD1 4.03Å; L391-L400 HydrophobicContact CD2-CD2 4.46Å; L391-V444 CarbonylContact O-C 3.53Å; L391-V444 VanDerWaalsContact O-CA 3.26Å; L391-V444 WeakPolarHBondContact O-CA 3.33Å; L391-F445 HydrophobicContact CB-CB 4.4Å; L391-F445 HydrophobicContact CD2-CD2 4.35Å; L391-F445 PolarHBondContact N-O 2.49Å; L391-F445 PolarHBondContact O-N 3Å; L391-I447 HydrophobicContact CB-CD1 4.2Å; L391-I447 HydrophobicContact CD2-CD1 4.1Å; L391-A467 HydrophobicContact CD1-CB 4.01Å; L391-F468 CarbonylContact C-O 3.44Å; L391-F468 WeakPolarHBondContact CA-O 3.27Å; L391-R469 HydrophobicContact CB-CB 4.31Å; L391-R469 HydrophobicContact CD1-CB 3.88Å
392I98.4Very high94.5Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-119.5134.6169.8-175.8164.8000110.8L25 L41 M43 F88 V90 I394 V444 A467 F468L25-I392 HydrophobicContact CD1-CD1 4.13Å; L41-I392 HydrophobicContact CD2-CD1 3.68Å; M43-I392 HydrophobicContact CE-CB 4.45Å; M43-I392 HydrophobicContact CE-CD1 4.04Å; M43-I392 HydrophobicContact CE-CG2 4.33Å; M43-I392 HydrophobicContact SD-CB 3.74Å; M43-I392 HydrophobicContact SD-CD1 3.56Å; M43-I392 VanDerWaalsContact SD-CD1 3.56Å; M43-I392 HydrophobicContact SD-CG1 4.13Å; M43-I392 HydrophobicContact SD-CG2 4.25Å; F88-I392 HydrophobicContact CE1-CG2 3.73Å; F88-I392 HydrophobicContact CZ-CG2 4.25Å; V90-I392 HydrophobicContact CG2-CD1 3.75Å; I392-I394 HydrophobicContact CD1-CD1 4.04Å; I392-I394 HydrophobicContact CG1-CD1 4.05Å; I392-I394 HydrophobicContact CG2-CD1 4.01Å; I392-I394 HydrophobicContact CG2-CG1 4.5Å; I392-V444 HydrophobicContact CB-CG2 4.34Å; I392-V444 HydrophobicContact CD1-CG2 4.06Å; I392-V444 HydrophobicContact CG1-CG2 4.02Å; I392-A467 CarbonylContact O-C 3.59Å; I392-A467 WeakPolarHBondContact O-CA 3.46Å; I392-A467 WeakPolarHBondContact O-CB 3.1Å; I392-F468 HydrophobicContact CG2-CB 4.09Å; I392-F468 PolarHBondContact N-O 2.85Å; I392-F468 PolarHBondContact O-N 2.86Å
393I97.5Very high94.2Very high3 Ų331.9 Ų31.92%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-88.7113.4169.6-51.1-52.1000108.5L391 R395 Y439 D440 G442 S443 F445 L465 A467L391-I393 HydrophobicContact CD2-CD1 4.31Å; L391-I393 HydrophobicContact CG-CD1 4.36Å; I393-R395 WeakPolarHBondContact CG2-O 3.38Å; I393-Y439 HydrophobicContact CB-CD2 4.46Å; I393-Y439 HydrophobicContact CD1-CD2 4.25Å; I393-Y439 HydrophobicContact CG1-CD2 3.85Å; I393-Y439 HydrophobicContact CG1-CG 4.16Å; I393-Y439 HydrophobicContact CG2-CD2 3.95Å; I393-Y439 HydrophobicContact CG2-CE2 4.32Å; I393-D440 WeakPolarHBondContact CB-O 3.21Å; I393-G442 WeakPolarHBondContact O-CA 3.4Å; I393-G442 PolarHBondContact O-N 3.05Å; I393-S443 PolarHBondContact N-O 2.81Å; I393-F445 HydrophobicContact CG1-CE2 4.41Å; I393-L465 HydrophobicContact CD1-CD1 4.4Å; I393-L465 HydrophobicContact CG2-CD1 4.05Å; I393-A467 HydrophobicContact CD1-CB 3.8Å
394I97.4Very high93.4Very high1 Ų132.1 Ų32.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-84.9-39.3176.4-57.2-62000110.4L25 V90 L132 V281 I392 Q441 L466 F468L25-I394 HydrophobicContact CD1-CD1 4.26Å; L25-I394 HydrophobicContact CD2-CD1 4.27Å; V90-I394 HydrophobicContact CG2-CD1 4.04Å; L132-I394 HydrophobicContact CD1-CD1 4.14Å; L132-I394 HydrophobicContact CD1-CG2 4.31Å; L132-I394 HydrophobicContact CD2-CG1 4.25Å; L132-I394 HydrophobicContact CD2-CG2 4.12Å; V281-I394 HydrophobicContact CG2-CD1 4.4Å; I392-I394 HydrophobicContact CD1-CD1 4.04Å; I392-I394 HydrophobicContact CG1-CD1 4.05Å; I392-I394 HydrophobicContact CG2-CD1 4.01Å; I392-I394 HydrophobicContact CG2-CG1 4.5Å; I394-Q441 WeakPolarHBondContact O-CG 3.39Å; I394-L466 WeakPolarHBondContact CA-O 3.37Å; I394-L466 HydrophobicContact CB-CB 4.45Å; I394-L466 HydrophobicContact CB-CD2 4.15Å; I394-L466 HydrophobicContact CB-CG 4.1Å; I394-L466 WeakPolarHBondContact CB-O 3.36Å; I394-L466 HydrophobicContact CG2-CD2 3.99Å; I394-L466 HydrophobicContact CG2-CG 4.5Å; I394-L466 PolarHBondContact N-O 2.99Å; I394-F468 HydrophobicContact CD1-CD2 4.49Å; I394-F468 HydrophobicContact CG1-CD2 3.62Å; I394-F468 HydrophobicContact CG1-CE2 3.97Å
395R94.1Very high92.1Very high125 Ų12532.6 Ų32.647%0.47215%0.147SC..EExtended strand (participates in β ladder)trans-147.6155.7174.7-61.5-176.5-172.9176.73.5110.5I393 L465 L466I393-R395 WeakPolarHBondContact CG2-O 3.38Å; R395-L465 WeakPolarHBondContact O-CD1 3.34Å; R395-L466 HydrophobicContact CB-CB 4.22Å; R395-L466 PolarHBondContact N-O 2.85Å; R395-L466 PolarHBondContact O-N 2.83Å
396G92.8Very high89.8Confident11 Ų1133.1 Ų33.111%0.11315%0.15CC..  trans100.4164.4178.700000112.7D440 Q441G396-D440 CarbonylContact O-C 3.56Å; G396-Q441 PolarHBondContact O-N 3.31Å
397K92.9Very high87.4Confident100 Ų10034.8 Ų34.844%0.43517%0.168SC..  trans-141.4145-175.5-168.9-172.8-179.3115.50109.9Y439 D440 L458K397-Y439 WeakPolarHBondContact CA-O 3.34Å; K397-Y439 WeakPolarHBondContact CG-O 3.32Å; K397-D440 WeakPolarHBondContact CE-OD2 3.33Å; K397-D440 HydrophobicContact CG-CB 4.31Å; K397-D440 IonicContact NZ-OD2 2.72Å; K397-D440 PolarHBondContact NZ-OD2 3.16Å; K397-L458 HydrophobicContact CD-CD1 4.29Å; K397-L458 HydrophobicContact CG-CD1 4.09Å; K397-L458 PolarHBondContact O-N 2.91Å
398G93.7Very high84.4Confident0 Ų040.6 Ų40.60%020%0.198CC..EExtended strand (participates in β ladder)trans174.7-158.3-175.100000114.9E438 Y439 H456G398-E438 WeakPolarHBondContact O-CA 3Å; G398-Y439 VanDerWaalsContact N-CE2 3.26Å; G398-Y439 PolarHBondContact N-O 2.72Å; G398-Y439 WeakPolarHBondContact O-CD1 3.13Å; G398-Y439 PolarHBondContact O-N 2.97Å; G398-H456 CarbonylContact C-O 3.57Å; G398-H456 WeakPolarHBondContact CA-O 3.45Å
399T93.6Very high81.5Confident34 Ų3443.3 Ų43.321%0.20922%0.217CC..EExtended strand (participates in β ladder)trans-125.8131174.8-54.10000110.2Q401 F437 Y439 H456T399-Q401 HydrophobicContact CG2-CG 4.23Å; T399-F437 CarbonylContact C-O 3.59Å; T399-F437 WeakPolarHBondContact CA-O 3.36Å; T399-Y439 VanDerWaalsContact N-CE1 3.26Å; T399-H456 PolarHBondContact N-O 2.82Å; T399-H456 PolarHBondContact O-N 3.34Å
400L93.9Very high78.4Confident0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-97.1125.2168.5-83.3162.1000109.2L391 S436 F437 Y439 F445 F453 I454 V455L391-L400 HydrophobicContact CD2-CD1 4.03Å; L391-L400 HydrophobicContact CD2-CD2 4.46Å; L400-S436 CarbonylContact O-C 3.39Å; L400-S436 WeakPolarHBondContact O-CA 3.21Å; L400-F437 HydrophobicContact CB-CB 4.47Å; L400-F437 PolarHBondContact N-O 3.27Å; L400-F437 PolarHBondContact O-N 3.16Å; L400-Y439 HydrophobicContact CB-CD1 4.33Å; L400-Y439 HydrophobicContact CD1-CD1 4.01Å; L400-Y439 HydrophobicContact CD1-CG 4.42Å; L400-Y439 HydrophobicContact CG-CD1 3.67Å; L400-Y439 HydrophobicContact CG-CE1 4.14Å; L400-F445 HydrophobicContact CD1-CD1 4.38Å; L400-F445 HydrophobicContact CD1-CD2 3.56Å; L400-F445 HydrophobicContact CD1-CE1 4.21Å; L400-F445 HydrophobicContact CD1-CE2 3.34Å; L400-F445 HydrophobicContact CD1-CG 4.08Å; L400-F445 HydrophobicContact CD1-CZ 3.7Å; L400-F453 HydrophobicContact CD2-CD2 3.45Å; L400-F453 VanDerWaalsContact CD2-CD2 3.45Å; L400-F453 HydrophobicContact CD2-CE2 3.79Å; L400-F453 HydrophobicContact CD2-CG 4.44Å; L400-I454 CarbonylContact C-O 3.53Å; L400-I454 WeakPolarHBondContact CA-O 3.35Å; L400-V455 HydrophobicContact CD2-CG2 3.56Å
401Q92.7Very high75.3Confident40 Ų4054.2 Ų54.219%0.18729%0.288CS..EExtended strand (participates in β ladder)trans-111.2127.6177.6-70-172.3-2500110.9T399 V433 E435 S436 F453 I454 H456T399-Q401 HydrophobicContact CG2-CG 4.23Å; Q401-V433 HydrophobicContact CB-CG1 4.05Å; Q401-V433 HydrophobicContact CB-CG2 4.48Å; Q401-V433 HydrophobicContact CG-CG1 4.06Å; Q401-E435 CarbonylContact C-O 3.57Å; Q401-E435 WeakPolarHBondContact CA-O 3.27Å; Q401-S436 WeakPolarHBondContact CG-OG 3.43Å; Q401-S436 PolarHBondContact NE2-OG 2.98Å; Q401-F453 CarbonylContact O-C 3.58Å; Q401-F453 WeakPolarHBondContact O-CA 3.12Å; Q401-F453 VanDerWaalsContact O-CB 3.32Å; Q401-F453 WeakPolarHBondContact O-CB 3.5Å; Q401-I454 HydrophobicContact CB-CB 4.35Å; Q401-I454 PolarHBondContact N-O 3.03Å; Q401-I454 PolarHBondContact O-N 3.37Å; Q401-H456 PolarHBondContact OE1-NE2 3.46Å
402R90.4Very high72Confident47 Ų4761.6 Ų61.618%0.17733%0.327CS..EExtended strand (participates in β ladder)trans-78.7126.1171.1-170.2165.763.380.2-6.1109.6M1 C434 E435 T451M1-R402 HydrophobicContact CE-CB 3.48Å; M1-R402 VanDerWaalsContact CE-CB 3.48Å; M1-R402 HydrophobicContact CE-CG 4.16Å; R402-C434 VanDerWaalsContact CZ-CB 3.46Å; R402-C434 VanDerWaalsContact NH2-CB 3.32Å; R402-C434 PolarHBondContact O-N 2.85Å; R402-E435 HydrophobicContact CB-CB 4.18Å; R402-E435 IonicContact CZ-OE1 2.96Å; R402-E435 IonicContact CZ-OE2 3.05Å; R402-E435 PolarHBondContact N-O 3.3Å; R402-E435 IonicContact NE-OE1 3.89Å; R402-E435 IonicContact NE-OE2 3.53Å; R402-E435 PolarHBondContact NE-OE2 2.81Å; R402-E435 VanDerWaalsContact NH2-CD 3.27Å; R402-E435 IonicContact NH2-OE1 3.7Å; R402-E435 PolarHBondContact NH2-OE1 3.34Å; R402-E435 IonicContact NH2-OE2 3.5Å; R402-T451 HydrophobicContact CG-CG2 3.7Å
403L84.5Confident68.7Low10 Ų1066.4 Ų66.45%0.05236%0.356CS..EExtended strand (participates in β ladder)trans-91.9140170.5-60.7-178.9000110.3Q381 A431 V433 A452 I454Q381-L403 HydrophobicContact CG-CD1 4.15Å; L403-A431 HydrophobicContact CB-CB 4.45Å; L403-A431 HydrophobicContact CD1-CB 4.47Å; L403-A431 HydrophobicContact CD2-CB 4.31Å; L403-V433 HydrophobicContact CD2-CG2 4.38Å; L403-A452 HydrophobicContact CB-CB 4.11Å; L403-A452 HydrophobicContact CD1-CB 4.29Å; L403-A452 PolarHBondContact N-O 3.03Å; L403-I454 HydrophobicContact CD1-CD1 3.96Å; L403-I454 HydrophobicContact CD1-CG1 3.75Å; L403-I454 HydrophobicContact CD2-CD1 3.74Å; L403-I454 HydrophobicContact CD2-CG1 4.03Å; L403-I454 HydrophobicContact CG-CD1 4.2Å; L403-I454 HydrophobicContact CG-CG1 3.98Å
404H73.9Confident65.5Low92 Ų9276.5 Ų76.543%0.42640%0.4SS..EExtended strand (participates in β ladder)trans-117.4123.9162.8-174.1-79.5000108.3D406 F432 C434H404-D406 PolarHBondContact O-N 2.94Å; H404-F432 PolarHBondContact N-O 2.79Å; H404-F432 PolarHBondContact O-N 2.81Å; H404-F432 VanDerWaalsContact O-N 3.15Å; H404-C434 WeakPolarHBondContact CB-SG 3.49Å
405W63.4Low62.3Low66 Ų6682.9 Ų82.925%0.2543%0.434CS..EExtended strand (participates in β ladder)trans-76.2120.7170.8-61.6106.8000107.5T407 M428 P429 A431W405-T407 PolarHBondContact O-N 2.93Å; W405-M428 HydrophobicContact CH2-CB 4.49Å; W405-M428 HydrophobicContact CH2-CE 3.94Å; W405-M428 HydrophobicContact CZ2-CE 4.18Å; W405-M428 HydrophobicContact CZ3-CB 4.22Å; W405-M428 HydrophobicContact CZ3-CE 4.38Å; W405-P429 HydrophobicContact CE3-CG 4.32Å; W405-P429 WeakPolarHBondContact CZ3-O 3.44Å; W405-A431 HydrophobicContact CD2-CB 4.34Å; W405-A431 HydrophobicContact CE3-CB 3.77Å; W405-A431 HydrophobicContact CH2-CB 4.1Å; W405-A431 HydrophobicContact CZ3-CB 3.65Å
406D46Very low59.3Low55 Ų5584.3 Ų84.329%0.29445%0.451SS..  trans-68.6109.5171.9-142.9-13.8000107.7H404 L408 F432H404-D406 PolarHBondContact O-N 2.94Å; D406-L408 HydrophobicContact CB-CB 4.4Å; D406-L408 HydrophobicContact CB-CD1 4.32Å; D406-L408 HydrophobicContact CB-CG 4.38Å; D406-L408 PolarHBondContact O-N 3.29Å; D406-L408 WeakPolarHBondContact OD2-CD1 3.26Å; D406-L408 WeakPolarHBondContact OD2-CG 3.28Å; D406-F432 HydrophobicContact CB-CD2 4.45Å; D406-F432 HydrophobicContact CB-CE2 4.31Å
407T40.9Very low56.4Low132 Ų13292 Ų9281%0.8149%0.489SS*.  trans-74.355.9157.145.10000108.1W405 S409W405-T407 PolarHBondContact O-N 2.93Å; T407-S409 PolarHBondContact O-N 2.83Å
408L34.9Very low53.5Low130 Ų13093 Ų9368%0.68150%0.5SS*.  trans-66.783.4159.2-94.5165000106.3D406D406-L408 HydrophobicContact CB-CB 4.4Å; D406-L408 HydrophobicContact CB-CD1 4.32Å; D406-L408 HydrophobicContact CB-CG 4.38Å; D406-L408 PolarHBondContact O-N 3.29Å; D406-L408 WeakPolarHBondContact OD2-CD1 3.26Å; D406-L408 WeakPolarHBondContact OD2-CG 3.28Å
409S34.8Very low50.6Low57 Ų57105.5 Ų105.540%0.39955%0.546SS..  trans45.589.6139.81520000114.2T407 S411T407-S409 PolarHBondContact O-N 2.83Å; S409-S411 VanDerWaalsContact CB-OG 3.23Å; S409-S411 WeakPolarHBondContact CB-OG 3.36Å; S409-S411 PolarHBondContact O-N 3.18Å; S409-S411 VanDerWaalsContact O-N 3.16Å; S409-S411 PolarHBondContact OG-N 3.18Å; S409-S411 PolarHBondContact OG-O 3.01Å; S409-S411 PolarHBondContact OG-OG 2.88Å
410T32.6Very low47.7Very low149 Ų149108.2 Ų108.291%0.91457%0.567SS**SBendtrans-62.52.6142.344.10000112.3N412T410-N412 PolarHBondContact O-N 2.89Å
411S34.2Very low44.7Very low84 Ų84116.2 Ų116.259%0.58760%0.602SS**THydrogen-bonded Turntrans-90.860.9170.359.50000112.3S409S409-S411 VanDerWaalsContact CB-OG 3.23Å; S409-S411 WeakPolarHBondContact CB-OG 3.36Å; S409-S411 PolarHBondContact O-N 3.18Å; S409-S411 VanDerWaalsContact O-N 3.16Å; S409-S411 PolarHBondContact OG-N 3.18Å; S409-S411 PolarHBondContact OG-O 3.01Å; S409-S411 PolarHBondContact OG-OG 2.88Å
412N29.6Very low41.7Very low158 Ų158124.7 Ų124.785%0.84563%0.633SS**THydrogen-bonded Turntrans-17435.8148.8-98-15.4000116T410T410-N412 PolarHBondContact O-N 2.89Å
413T28.6Very low39Very low100 Ų100128.4 Ų128.461%0.61366%0.661SS**  trans-124.893.9156.7420000109.8L415T413-L415 HydrophobicContact CG2-CD1 3.64Å; T413-L415 HydrophobicContact CG2-CG 4.29Å; T413-L415 PolarHBondContact O-N 2.99Å
414K30.2Very low36.7Very low216 Ų216134.6 Ų134.694%0.93970%0.695SS**  trans-55.989.8141.4-77.5-178.8175.5179.60106.1
415L31.1Very low34.7Very low135 Ų135137.6 Ų137.671%0.70771%0.714SS**  trans-126.8132.4168.9-86.7165.7000107.2T413T413-L415 HydrophobicContact CG2-CD1 3.64Å; T413-L415 HydrophobicContact CG2-CG 4.29Å; T413-L415 PolarHBondContact O-N 2.99Å
416D29.9Very low33.1Very low154 Ų154144.9 Ų144.982%0.82474%0.743SS**  trans-53.9155.1-155.4-76-54.8000116.7D418D416-D418 VanDerWaalsContact C-N 3.31Å; D416-D418 PolarHBondContact O-N 2.93Å
417N33.5Very low32.8Very low173 Ų173147.7 Ų147.793%0.92576%0.764SS**SBendtrans-58.384.6169.9-77.6-30.1000111.3
418D31.7Very low32.7Very low122 Ų122148 Ų14865%0.65276%0.758SS**  trans-151.264.1158.1-146.1-4.9000112.1D416 S420D416-D418 VanDerWaalsContact C-N 3.31Å; D416-D418 PolarHBondContact O-N 2.93Å; D418-S420 VanDerWaalsContact C-N 3.32Å; D418-S420 PolarHBondContact O-N 2.77Å; D418-S420 VanDerWaalsContact O-N 3.16Å
419R31.9Very low33.3Very low261 Ų261145.1 Ų145.199%0.98575%0.747SS**THydrogen-bonded Turntrans-85.857.2180-81.4-171.6172-175.8-1.8113.2
420S32.6Very low34Very low91 Ų91146.7 Ų146.764%0.63676%0.756SS**THydrogen-bonded Turntrans-131.65.2168.573.20000116.4D418D418-S420 VanDerWaalsContact C-N 3.32Å; D418-S420 PolarHBondContact O-N 2.77Å; D418-S420 VanDerWaalsContact O-N 3.16Å
421K31.6Very low35.3Very low169 Ų169141.4 Ų141.474%0.73573%0.727SS**SBendtrans-1298.8-172.2-77.6-172.5178.8174.60118.7
422Y30.1Very low36.9Very low217 Ų217143 Ų14385%0.85172%0.724SS**  trans-134.783176.2-66.6-81.2000110.8
423V32.3Very low38.9Very low125 Ų125138.9 Ų138.976%0.75870%0.704SS**  trans-104.5133.5160.5-177.50000105.3
424D36.3Very low41.2Very low141 Ų141137 Ų13775%0.75470%0.695SS**SBendtrans86.3120177.4-52.2-31.2000117.5
425N32.1Very low43.9Very low155 Ų155130 Ų13083%0.82967%0.665SS**  trans96.440.4168-55.8-17.4000119.9P427N425-P427 WeakPolarHBondContact O-CD 3.25Å
426Y30.6Very low46.8Very low218 Ų218126.8 Ų126.886%0.85565%0.654SS**PPolyproline II helixtrans-78.3123.5151.9-90.5-82.9000109.8M428Y426-M428 PolarHBondContact O-N 2.82Å
427P39.3Very low49.8Very low114 Ų114121.1 Ų121.174%0.7462%0.622SS**PPolyproline II helixtrans-63.1135.9167.725.6-30000108.7N425N425-P427 WeakPolarHBondContact O-CD 3.25Å
428M39.3Very low52.6Low139 Ų139120 Ų12069%0.68561%0.611SS**PPolyproline II helixtrans-47.4139.6176.8-66.9-78.1-81.200110.1W405 Y426W405-M428 HydrophobicContact CH2-CB 4.49Å; W405-M428 HydrophobicContact CH2-CE 3.94Å; W405-M428 HydrophobicContact CZ2-CE 4.18Å; W405-M428 HydrophobicContact CZ3-CB 4.22Å; W405-M428 HydrophobicContact CZ3-CE 4.38Å; Y426-M428 PolarHBondContact O-N 2.82Å
429P47.1Very low55.5Low70 Ų70114.3 Ų114.346%0.45558%0.581SS.*PPolyproline II helixtrans-55.5149.5179.821.6-31.3000111.2W405 A431W405-P429 HydrophobicContact CE3-CG 4.32Å; W405-P429 WeakPolarHBondContact CZ3-O 3.44Å; P429-A431 PolarHBondContact O-N 2.88Å
430P49.8Very low58.5Low89 Ų89103.8 Ų103.858%0.57854%0.544SS*.PPolyproline II helixtrans-59.4123.6-176.321.8-30.7000111.2
431A59Low61.4Low39 Ų39101.5 Ų101.532%0.32252%0.523SS..EExtended strand (participates in β ladder)trans-90.5137.1171.600000110.2L403 W405 P429L403-A431 HydrophobicContact CB-CB 4.45Å; L403-A431 HydrophobicContact CD1-CB 4.47Å; L403-A431 HydrophobicContact CD2-CB 4.31Å; W405-A431 HydrophobicContact CD2-CB 4.34Å; W405-A431 HydrophobicContact CE3-CB 3.77Å; W405-A431 HydrophobicContact CH2-CB 4.1Å; W405-A431 HydrophobicContact CZ3-CB 3.65Å; P429-A431 PolarHBondContact O-N 2.88Å
432F69.4Low64.5Low118 Ų11894 Ų9452%0.51849%0.494SS..EExtended strand (participates in β ladder)trans-105.5142.6171.1-62.1-82.2000110.5H404 D406 C434H404-F432 PolarHBondContact N-O 2.79Å; H404-F432 PolarHBondContact O-N 2.81Å; H404-F432 VanDerWaalsContact O-N 3.15Å; D406-F432 HydrophobicContact CB-CD2 4.45Å; D406-F432 HydrophobicContact CB-CE2 4.31Å; F432-C434 PolarHBondContact O-N 3.46Å
433V69.7Low67.7Low71 Ų7183.7 Ų83.743%0.4345%0.454SS..EExtended strand (participates in β ladder)trans-72.5117.6170.5177.10000108.1Q401 L403Q401-V433 HydrophobicContact CB-CG1 4.05Å; Q401-V433 HydrophobicContact CB-CG2 4.48Å; Q401-V433 HydrophobicContact CG-CG1 4.06Å; L403-V433 HydrophobicContact CD2-CG2 4.38Å
434C78.6Confident70.8Confident61 Ų6177.9 Ų77.941%0.41242%0.419SS..EExtended strand (participates in β ladder)trans-89.3-40.2177.4-74.20000113.2R402 H404 F432R402-C434 VanDerWaalsContact CZ-CB 3.46Å; R402-C434 VanDerWaalsContact NH2-CB 3.32Å; R402-C434 PolarHBondContact O-N 2.85Å; H404-C434 WeakPolarHBondContact CB-SG 3.49Å; F432-C434 PolarHBondContact O-N 3.46Å
435E86.1Confident73.8Confident68 Ų6871.2 Ų71.232%0.31838%0.383SS..EExtended strand (participates in β ladder)trans-147.3145.7-172.2-76.4155.2-157.200108.8Q401 R402 F437Q401-E435 CarbonylContact C-O 3.57Å; Q401-E435 WeakPolarHBondContact CA-O 3.27Å; R402-E435 HydrophobicContact CB-CB 4.18Å; R402-E435 IonicContact CZ-OE1 2.96Å; R402-E435 IonicContact CZ-OE2 3.05Å; R402-E435 PolarHBondContact N-O 3.3Å; R402-E435 IonicContact NE-OE1 3.89Å; R402-E435 IonicContact NE-OE2 3.53Å; R402-E435 PolarHBondContact NE-OE2 2.81Å; R402-E435 VanDerWaalsContact NH2-CD 3.27Å; R402-E435 IonicContact NH2-OE1 3.7Å; R402-E435 PolarHBondContact NH2-OE1 3.34Å; R402-E435 IonicContact NH2-OE2 3.5Å; E435-F437 HydrophobicContact CB-CE2 3.67Å; E435-F437 HydrophobicContact CB-CZ 4Å; E435-F437 HydrophobicContact CG-CZ 4.44Å
436S91.1Very high76.9Confident68 Ų6863.8 Ų63.848%0.47634%0.343SS..EExtended strand (participates in β ladder)trans-126.2132.7173.9-63.20000109.5L400 Q401L400-S436 CarbonylContact O-C 3.39Å; L400-S436 WeakPolarHBondContact O-CA 3.21Å; Q401-S436 WeakPolarHBondContact CG-OG 3.43Å; Q401-S436 PolarHBondContact NE2-OG 2.98Å
437F92.8Very high80.1Confident34 Ų3453.6 Ų53.615%0.14930%0.303CS..EExtended strand (participates in β ladder)trans-123.2125.3179.1-58.1-88.4000109.2M1 T399 L400 E435 F445M1-F437 HydrophobicContact CB-CE2 4.28Å; M1-F437 HydrophobicContact CE-CD2 3.94Å; M1-F437 HydrophobicContact CE-CE2 3.91Å; M1-F437 HydrophobicContact CG-CD2 4.34Å; M1-F437 HydrophobicContact CG-CE2 4.03Å; M1-F437 VanDerWaalsContact O-CZ 3.28Å; M1-F437 WeakPolarHBondContact O-CZ 3.02Å; M1-F437 HydrophobicContact SD-CD2 4.43Å; T399-F437 CarbonylContact C-O 3.59Å; T399-F437 WeakPolarHBondContact CA-O 3.36Å; L400-F437 HydrophobicContact CB-CB 4.47Å; L400-F437 PolarHBondContact N-O 3.27Å; L400-F437 PolarHBondContact O-N 3.16Å; E435-F437 HydrophobicContact CB-CE2 3.67Å; E435-F437 HydrophobicContact CB-CZ 4Å; E435-F437 HydrophobicContact CG-CZ 4.44Å; F437-F445 HydrophobicContact CB-CE1 3.73Å; F437-F445 HydrophobicContact CB-CZ 4.28Å; F437-F445 HydrophobicContact CD1-CE1 4.49Å; F437-F445 HydrophobicContact CG-CE1 4.14Å
438E93.1Very high82.8Confident149 Ų14949.4 Ų49.470%0.69628%0.275SS*.EExtended strand (participates in β ladder)trans-67.3136.7166.3-65.6-172.9174.200109.7G398G398-E438 WeakPolarHBondContact O-CA 3Å
439Y93.7Very high85.5Confident4 Ų443.9 Ų43.92%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-122.2148.8170.673.1-100000110.8I393 K397 G398 T399 L400 V455 H456 L465I393-Y439 HydrophobicContact CB-CD2 4.46Å; I393-Y439 HydrophobicContact CD1-CD2 4.25Å; I393-Y439 HydrophobicContact CG1-CD2 3.85Å; I393-Y439 HydrophobicContact CG1-CG 4.16Å; I393-Y439 HydrophobicContact CG2-CD2 3.95Å; I393-Y439 HydrophobicContact CG2-CE2 4.32Å; K397-Y439 WeakPolarHBondContact CA-O 3.34Å; K397-Y439 WeakPolarHBondContact CG-O 3.32Å; G398-Y439 VanDerWaalsContact N-CE2 3.26Å; G398-Y439 PolarHBondContact N-O 2.72Å; G398-Y439 WeakPolarHBondContact O-CD1 3.13Å; G398-Y439 PolarHBondContact O-N 2.97Å; T399-Y439 VanDerWaalsContact N-CE1 3.26Å; L400-Y439 HydrophobicContact CB-CD1 4.33Å; L400-Y439 HydrophobicContact CD1-CD1 4.01Å; L400-Y439 HydrophobicContact CD1-CG 4.42Å; L400-Y439 HydrophobicContact CG-CD1 3.67Å; L400-Y439 HydrophobicContact CG-CE1 4.14Å; Y439-V455 HydrophobicContact CE1-CG1 4.05Å; Y439-V455 WeakPolarHBondContact OH-CG1 3.38Å; Y439-H456 PolarHBondContact OH-O 3.16Å; Y439-L465 HydrophobicContact CD2-CD1 4.4Å; Y439-L465 HydrophobicContact CE2-CD1 3.45Å; Y439-L465 VanDerWaalsContact CE2-CD1 3.45Å
440D93.5Very high87.6Confident40 Ų4043 Ų4321%0.21426%0.255CS..  trans-139.4178171.8-149.7-35.4000107.4I393 G396 K397 G442 S443I393-D440 WeakPolarHBondContact CB-O 3.21Å; G396-D440 CarbonylContact O-C 3.56Å; K397-D440 WeakPolarHBondContact CE-OD2 3.33Å; K397-D440 HydrophobicContact CG-CB 4.31Å; K397-D440 IonicContact NZ-OD2 2.72Å; K397-D440 PolarHBondContact NZ-OD2 3.16Å; D440-G442 PolarHBondContact O-N 2.98Å; D440-S443 PolarHBondContact N-OG 2.79Å; D440-S443 VanDerWaalsContact N-OG 3.16Å; D440-S443 VanDerWaalsContact O-CB 3.26Å; D440-S443 WeakPolarHBondContact O-CB 3.42Å; D440-S443 PolarHBondContact O-N 2.74Å; D440-S443 PolarHBondContact O-OG 2.93Å
441Q94.9Very high89.7Confident43 Ų4339.9 Ų39.920%0.20123%0.234CC..THydrogen-bonded Turntrans-48.4130.5170175.9173.1-65.600110.9K24 L25 Q28 I394 G396 S443K24-Q441 PolarHBondContact O-NE2 3.36Å; L25-Q441 HydrophobicContact CD2-CG 3.96Å; Q28-Q441 HydrophobicContact CG-CB 4.38Å; Q28-Q441 VanDerWaalsContact CG-O 3.25Å; Q28-Q441 WeakPolarHBondContact CG-O 3.49Å; I394-Q441 WeakPolarHBondContact O-CG 3.39Å; G396-Q441 PolarHBondContact O-N 3.31Å; Q441-S443 VanDerWaalsContact C-N 3.3Å; Q441-S443 PolarHBondContact O-N 2.78Å
442G96.4Very high91.3Very high12 Ų1238.1 Ų38.112%0.12422%0.219CC..THydrogen-bonded Turntrans81.8-2.2-178.800000115.3L25 I393 D440 V444L25-G442 WeakPolarHBondContact O-CA 3.39Å; I393-G442 WeakPolarHBondContact O-CA 3.4Å; I393-G442 PolarHBondContact O-N 3.05Å; D440-G442 PolarHBondContact O-N 2.98Å; G442-V444 PolarHBondContact O-N 3.06Å
443S97Very high92.4Very high0 Ų032.7 Ų32.70%020%0.196CC..  trans-63.5129.1170.4-750000111R3 I393 D440 Q441R3-S443 VanDerWaalsContact CZ-OG 3.29Å; R3-S443 PolarHBondContact NH2-OG 2.91Å; I393-S443 PolarHBondContact N-O 2.81Å; D440-S443 PolarHBondContact N-OG 2.79Å; D440-S443 VanDerWaalsContact N-OG 3.16Å; D440-S443 VanDerWaalsContact O-CB 3.26Å; D440-S443 WeakPolarHBondContact O-CB 3.42Å; D440-S443 PolarHBondContact O-N 2.74Å; D440-S443 PolarHBondContact O-OG 2.93Å; Q441-S443 VanDerWaalsContact C-N 3.3Å; Q441-S443 PolarHBondContact O-N 2.78Å
444V97.9Very high93.5Very high3 Ų330.2 Ų30.22%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-117.3136.3176.1-172.80000109.5R3 L4 M43 V390 L391 I392 G442R3-V444 CarbonylContact C-O 3.5Å; R3-V444 WeakPolarHBondContact CA-O 3.46Å; R3-V444 WeakPolarHBondContact CG-O 3.47Å; L4-V444 HydrophobicContact CB-CB 4.24Å; L4-V444 HydrophobicContact CB-CG1 4.16Å; L4-V444 HydrophobicContact CD1-CG1 4.06Å; L4-V444 PolarHBondContact N-O 2.99Å; M43-V444 HydrophobicContact CB-CG1 4.21Å; M43-V444 HydrophobicContact CG-CG1 3.92Å; M43-V444 HydrophobicContact CG-CG2 4.16Å; M43-V444 HydrophobicContact SD-CB 4.48Å; M43-V444 HydrophobicContact SD-CG1 3.78Å; M43-V444 HydrophobicContact SD-CG2 3.78Å; V390-V444 HydrophobicContact CG1-CG1 3.98Å; L391-V444 CarbonylContact O-C 3.53Å; L391-V444 VanDerWaalsContact O-CA 3.26Å; L391-V444 WeakPolarHBondContact O-CA 3.33Å; I392-V444 HydrophobicContact CB-CG2 4.34Å; I392-V444 HydrophobicContact CD1-CG2 4.06Å; I392-V444 HydrophobicContact CG1-CG2 4.02Å; G442-V444 PolarHBondContact O-N 3.06Å
445F98Very high94.2Very high0 Ų027.6 Ų27.60%016%0.162CC..EExtended strand (participates in β ladder)trans-128140.6-179.6-60.6-89000112F2 R3 V390 L391 I393 L400 F437 I447F2-F445 CarbonylContact O-C 3.56Å; F2-F445 WeakPolarHBondContact O-CA 3.35Å; R3-F445 HydrophobicContact CB-CD1 4.12Å; R3-F445 HydrophobicContact CB-CE1 3.96Å; R3-F445 HydrophobicContact CG-CE1 4.18Å; V390-F445 CarbonylContact C-O 3.53Å; V390-F445 WeakPolarHBondContact CA-O 3.33Å; L391-F445 HydrophobicContact CB-CB 4.4Å; L391-F445 HydrophobicContact CD2-CD2 4.35Å; L391-F445 PolarHBondContact N-O 2.49Å; L391-F445 PolarHBondContact O-N 3Å; I393-F445 HydrophobicContact CG1-CE2 4.41Å; L400-F445 HydrophobicContact CD1-CD1 4.38Å; L400-F445 HydrophobicContact CD1-CD2 3.56Å; L400-F445 HydrophobicContact CD1-CE1 4.21Å; L400-F445 HydrophobicContact CD1-CE2 3.34Å; L400-F445 HydrophobicContact CD1-CG 4.08Å; L400-F445 HydrophobicContact CD1-CZ 3.7Å; F437-F445 HydrophobicContact CB-CE1 3.73Å; F437-F445 HydrophobicContact CB-CZ 4.28Å; F437-F445 HydrophobicContact CD1-CE1 4.49Å; F437-F445 HydrophobicContact CG-CE1 4.14Å; F445-I447 HydrophobicContact CB-CG1 4.4Å
446F97.8Very high94.4Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-97.2124.5161.7-173.9-98.9000109.5M1 F2 L4 L61 Y64 I65 C71 L84 A388 T389 V390 N448M1-F446 CarbonylContact C-O 3.52Å; M1-F446 WeakPolarHBondContact CA-O 3.49Å; F2-F446 HydrophobicContact CD2-CD1 4.43Å; F2-F446 PolarHBondContact N-O 3.43Å; F2-F446 PolarHBondContact O-N 2.87Å; L4-F446 HydrophobicContact CD1-CB 4.1Å; L4-F446 HydrophobicContact CD2-CB 4.04Å; L4-F446 HydrophobicContact CG-CB 4.15Å; L61-F446 HydrophobicContact CD1-CB 4.14Å; L61-F446 HydrophobicContact CD1-CD1 3.99Å; L61-F446 HydrophobicContact CD1-CD2 3.67Å; L61-F446 HydrophobicContact CD1-CE1 4.29Å; L61-F446 HydrophobicContact CD1-CE2 3.97Å; L61-F446 HydrophobicContact CD1-CG 3.65Å; L61-F446 HydrophobicContact CD1-CZ 4.27Å; L61-F446 HydrophobicContact CD2-CD2 3.92Å; L61-F446 HydrophobicContact CD2-CE2 4.36Å; L61-F446 HydrophobicContact CG-CD2 4.38Å; Y64-F446 HydrophobicContact CD1-CE1 4.41Å; Y64-F446 HydrophobicContact CE1-CD1 4.32Å; Y64-F446 AromaticContact CE1-CE1 4Å; Y64-F446 HydrophobicContact CE1-CE1 4Å; I65-F446 HydrophobicContact CD1-CE2 4.12Å; I65-F446 HydrophobicContact CD1-CZ 4.07Å; I65-F446 HydrophobicContact CG1-CZ 4.1Å; C71-F446 HydrophobicContact CB-CE1 4.38Å; L84-F446 HydrophobicContact CD1-CE2 4.42Å; A388-F446 HydrophobicContact CB-CE1 4.4Å; A388-F446 HydrophobicContact CB-CE2 3.8Å; A388-F446 HydrophobicContact CB-CZ 3.52Å; T389-F446 WeakPolarHBondContact O-CA 3.44Å; V390-F446 HydrophobicContact CG2-CD2 4.25Å; F446-N448 WeakPolarHBondContact CE1-OD1 3.08Å
447I96.9Very high94.3Very high4 Ų424.2 Ų24.22%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-117.5120.9-179.1-54.5174.8000107.5M1 A388 T389 L391 F445 T451 F453M1-I447 HydrophobicContact CG-CG1 4.05Å; M1-I447 HydrophobicContact SD-CD1 4.21Å; M1-I447 HydrophobicContact SD-CG1 3.95Å; A388-I447 CarbonylContact C-O 3.23Å; A388-I447 WeakPolarHBondContact CA-O 3.38Å; T389-I447 PolarHBondContact N-O 2.97Å; T389-I447 PolarHBondContact O-N 3.19Å; L391-I447 HydrophobicContact CB-CD1 4.2Å; L391-I447 HydrophobicContact CD2-CD1 4.1Å; F445-I447 HydrophobicContact CB-CG1 4.4Å; I447-T451 HydrophobicContact CG2-CG2 3.93Å; I447-F453 HydrophobicContact CD1-CD1 3.93Å; I447-F453 HydrophobicContact CD1-CE1 3.71Å; I447-F453 HydrophobicContact CD1-CZ 4.13Å; I447-F453 HydrophobicContact CG2-CD1 4.46Å
448N96.1Very high93.8Very high26 Ų2626.8 Ų26.814%0.13915%0.153CC..  trans-65.6149.7179.8-61.76.8000110.1Y64 C71 F446 T451Y64-N448 PolarHBondContact OH-ND2 3.27Å; Y64-N448 VanDerWaalsContact OH-ND2 3.13Å; C71-N448 HydrophobicContact CB-CB 4.12Å; C71-N448 WeakPolarHBondContact O-CA 3.23Å; F446-N448 WeakPolarHBondContact CE1-OD1 3.08Å; N448-T451 WeakPolarHBondContact O-CB 3.2Å; N448-T451 PolarHBondContact O-N 2.64Å; N448-T451 VanDerWaalsContact O-N 3.15Å; N448-T451 PolarHBondContact O-OG1 3.15Å
449A95.7Very high92.3Very high23 Ų2326.9 Ų26.919%0.1915%0.154CC..THydrogen-bonded Turntrans-49.3143.2166.100000110.9C71 G73 K386 T451C71-A449 WeakPolarHBondContact O-CB 3.45Å; C71-A449 PolarHBondContact O-N 3.15Å; G73-A449 VanDerWaalsContact CA-CB 3.49Å; K386-A449 WeakPolarHBondContact O-CB 3.36Å; A449-T451 PolarHBondContact O-N 3.46Å
450G93Very high90.5Very high52 Ų5235.4 Ų35.454%0.53619%0.191SC..THydrogen-bonded Turntrans76.51.1-178.400000114.9P384 L385P384-G450 WeakPolarHBondContact CB-O 3.31Å; L385-G450 PolarHBondContact O-N 2.95Å
451T93.3Very high88.7Confident23 Ų2340 Ų4014%0.14122%0.215CC..  trans-89.5119.3-179.1-53.90000111.5R402 I447 N448 A449R402-T451 HydrophobicContact CG-CG2 3.7Å; I447-T451 HydrophobicContact CG2-CG2 3.93Å; N448-T451 WeakPolarHBondContact O-CB 3.2Å; N448-T451 PolarHBondContact O-N 2.64Å; N448-T451 VanDerWaalsContact O-N 3.15Å; N448-T451 PolarHBondContact O-OG1 3.15Å; A449-T451 PolarHBondContact O-N 3.46Å
452A92.5Very high86.9Confident1 Ų143.9 Ų43.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-86.7149.8167.200000110.3P384 L403P384-A452 HydrophobicContact CB-CB 4.46Å; L403-A452 HydrophobicContact CB-CB 4.11Å; L403-A452 HydrophobicContact CD1-CB 4.29Å; L403-A452 PolarHBondContact N-O 3.03Å
453F93.3Very high85.8Confident5 Ų546 Ų462%0.02225%0.251CS..EExtended strand (participates in β ladder)trans-147.4155.817866.1-87.2000112.5M1 F382 L400 Q401 I447 V455M1-F453 HydrophobicContact CE-CB 4.2Å; F382-F453 HydrophobicContact CB-CD1 4.01Å; F382-F453 HydrophobicContact CB-CD2 4.23Å; F382-F453 HydrophobicContact CB-CE1 3.6Å; F382-F453 HydrophobicContact CB-CE2 3.85Å; F382-F453 HydrophobicContact CB-CG 4.32Å; F382-F453 HydrophobicContact CB-CZ 3.52Å; F382-F453 HydrophobicContact CD1-CZ 4.14Å; F382-F453 AromaticContact CD2-CD2 3.9Å; F382-F453 HydrophobicContact CD2-CD2 3.9Å; F382-F453 AromaticContact CD2-CE2 3.3Å; F382-F453 HydrophobicContact CD2-CE2 3.3Å; F382-F453 AromaticContact CD2-CZ 3.7Å; F382-F453 HydrophobicContact CD2-CZ 3.7Å; F382-F453 AromaticContact CE2-CE2 3.98Å; F382-F453 HydrophobicContact CE2-CE2 3.98Å; F382-F453 HydrophobicContact CE2-CZ 4.48Å; F382-F453 HydrophobicContact CG-CD2 4.36Å; F382-F453 HydrophobicContact CG-CE1 4.13Å; F382-F453 AromaticContact CG-CE2 3.64Å; F382-F453 HydrophobicContact CG-CE2 3.64Å; F382-F453 AromaticContact CG-CZ 3.5Å; F382-F453 HydrophobicContact CG-CZ 3.5Å; F382-F453 PolarHBondContact N-O 2.82Å; F382-F453 PolarHBondContact O-N 2.8Å; L400-F453 HydrophobicContact CD2-CD2 3.45Å; L400-F453 VanDerWaalsContact CD2-CD2 3.45Å; L400-F453 HydrophobicContact CD2-CE2 3.79Å; L400-F453 HydrophobicContact CD2-CG 4.44Å; Q401-F453 CarbonylContact O-C 3.58Å; Q401-F453 WeakPolarHBondContact O-CA 3.12Å; Q401-F453 VanDerWaalsContact O-CB 3.32Å; Q401-F453 WeakPolarHBondContact O-CB 3.5Å; I447-F453 HydrophobicContact CD1-CD1 3.93Å; I447-F453 HydrophobicContact CD1-CE1 3.71Å; I447-F453 HydrophobicContact CD1-CZ 4.13Å; I447-F453 HydrophobicContact CG2-CD1 4.46Å; F453-V455 HydrophobicContact CD2-CG2 4.21Å; F453-V455 HydrophobicContact CE2-CG2 3.97Å
454I92.5Very high85.5Confident18 Ų1848.4 Ų48.49%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-112.9136.4174.2-59.3-179.5000108.9I331 I379 V380 Q381 L400 Q401 L403 H456I331-I454 HydrophobicContact CD1-CD1 4.12Å; I331-I454 HydrophobicContact CD1-CG2 4.48Å; I379-I454 HydrophobicContact CG2-CG2 3.43Å; I379-I454 VanDerWaalsContact CG2-CG2 3.43Å; V380-I454 CarbonylContact O-C 3.48Å; V380-I454 WeakPolarHBondContact O-CA 3.08Å; Q381-I454 HydrophobicContact CB-CG1 4.25Å; Q381-I454 HydrophobicContact CG-CG1 4.19Å; L400-I454 CarbonylContact C-O 3.53Å; L400-I454 WeakPolarHBondContact CA-O 3.35Å; Q401-I454 HydrophobicContact CB-CB 4.35Å; Q401-I454 PolarHBondContact N-O 3.03Å; Q401-I454 PolarHBondContact O-N 3.37Å; L403-I454 HydrophobicContact CD1-CD1 3.96Å; L403-I454 HydrophobicContact CD1-CG1 3.75Å; L403-I454 HydrophobicContact CD2-CD1 3.74Å; L403-I454 HydrophobicContact CD2-CG1 4.03Å; L403-I454 HydrophobicContact CG-CD1 4.2Å; L403-I454 HydrophobicContact CG-CG1 3.98Å; I454-H456 WeakPolarHBondContact CG2-NE2 3.18Å
455V92.7Very high85.3Confident6 Ų648.4 Ų48.44%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-97.9124.9167.81750000108.7I373 I379 V380 F382 L400 Y439 F453 Q457 L465I373-V455 HydrophobicContact CD1-CB 4.29Å; I373-V455 HydrophobicContact CD1-CG1 4.08Å; I379-V455 WeakPolarHBondContact CA-O 3.36Å; V380-V455 PolarHBondContact N-O 2.82Å; V380-V455 PolarHBondContact O-N 3.01Å; F382-V455 HydrophobicContact CD2-CG2 4.06Å; F382-V455 HydrophobicContact CE2-CB 4.27Å; F382-V455 HydrophobicContact CE2-CG2 3.59Å; L400-V455 HydrophobicContact CD2-CG2 3.56Å; Y439-V455 HydrophobicContact CE1-CG1 4.05Å; Y439-V455 WeakPolarHBondContact OH-CG1 3.38Å; F453-V455 HydrophobicContact CD2-CG2 4.21Å; F453-V455 HydrophobicContact CE2-CG2 3.97Å; V455-Q457 HydrophobicContact CG1-CG 4.33Å; V455-L465 HydrophobicContact CG1-CD2 4.01Å
456H90.9Very high85.2Confident47 Ų4750 Ų5022%0.21827%0.272CS..EExtended strand (participates in β ladder)trans-109.4115.1168.2-64.4-97.1000109.1K378 G398 T399 Q401 Y439 I454K378-H456 CarbonylContact O-C 3.6Å; K378-H456 WeakPolarHBondContact O-CA 3.02Å; G398-H456 CarbonylContact C-O 3.57Å; G398-H456 WeakPolarHBondContact CA-O 3.45Å; T399-H456 PolarHBondContact N-O 2.82Å; T399-H456 PolarHBondContact O-N 3.34Å; Q401-H456 PolarHBondContact OE1-NE2 3.46Å; Y439-H456 PolarHBondContact OH-O 3.16Å; I454-H456 WeakPolarHBondContact CG2-NE2 3.18Å
457Q88.6Confident85.2Confident18 Ų1850.1 Ų50.18%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-80.3132.9175.8-61.4-165.276.600111S374 D377 K378 V455S374-Q457 PolarHBondContact O-NE2 2.78Å; D377-Q457 PolarHBondContact O-NE2 3.13Å; K378-Q457 PolarHBondContact O-N 2.87Å; V455-Q457 HydrophobicContact CG1-CG 4.33Å
458L82.9Confident85.3Confident88 Ų8850 Ų5046%0.46127%0.272SS..  trans-80.4137.5174.9-80.1166.3000110.8K397 K460K397-L458 HydrophobicContact CD-CD1 4.29Å; K397-L458 HydrophobicContact CG-CD1 4.09Å; K397-L458 PolarHBondContact O-N 2.91Å; L458-K460 VanDerWaalsContact C-N 3.28Å; L458-K460 PolarHBondContact O-N 2.95Å; L458-K460 VanDerWaalsContact O-N 3.16Å
459Q59.9Low85.4Confident152 Ų15249.6 Ų49.671%0.7127%0.269SS*.  trans-71.4-5.5-169.1-70.9-163.6-24.100116.7N461Q459-N461 PolarHBondContact O-N 3.11Å; Q459-N461 VanDerWaalsContact O-N 3.14Å
460K56.4Low85.5Confident183 Ų18348.5 Ų48.580%0.79626%0.26SS*.THydrogen-bonded Turntrans-82.1104.1-175.4-99.9-178.2173.1178.90110.5L458L458-K460 VanDerWaalsContact C-N 3.28Å; L458-K460 PolarHBondContact O-N 2.95Å; L458-K460 VanDerWaalsContact O-N 3.16Å
461N55.5Low85.8Confident135 Ų13547.3 Ų47.372%0.72224%0.239SC*.THydrogen-bonded Turntrans100.432159.6-51.1-15.5000118.5Q459 S463Q459-N461 PolarHBondContact O-N 3.11Å; Q459-N461 VanDerWaalsContact O-N 3.14Å; N461-S463 PolarHBondContact O-N 2.94Å
462D57.8Low86Confident125 Ų12546.4 Ų46.467%0.66823%0.234SC*.  trans46.835.6166.5-55.7-25.9000114.2
463S74.1Confident86.2Confident58 Ų5848.1 Ų48.141%0.40624%0.243SC..  trans-104.3118.6-175.667.70000109.4N461N461-S463 PolarHBondContact O-N 2.94Å
464D89.3Confident86.1Confident49 Ų4948.7 Ų48.726%0.26225%0.247SC..  trans-57.2146.6172.9-54.7-52.4000111.6V352 I373 S374 D375V352-D464 HydrophobicContact CB-CB 4.25Å; V352-D464 WeakPolarHBondContact CB-OD2 3.15Å; V352-D464 HydrophobicContact CG1-CB 4.27Å; V352-D464 HydrophobicContact CG2-CB 4.38Å; V352-D464 WeakPolarHBondContact CG2-OD2 3.38Å; I373-D464 WeakPolarHBondContact O-CA 3.3Å; I373-D464 WeakPolarHBondContact O-CB 3.21Å; S374-D464 WeakPolarHBondContact CA-OD1 3.47Å; D375-D464 PolarHBondContact N-OD1 2.83Å
465L93.8Very high85.1Confident4 Ų451.6 Ų51.62%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-75.2128.4167.8-174.479.5000109.2S372 I373 I393 R395 Y439 V455 A467S372-L465 WeakPolarHBondContact CA-O 3.47Å; I373-L465 HydrophobicContact CB-CB 3.95Å; I373-L465 HydrophobicContact CB-CD2 4.44Å; I373-L465 HydrophobicContact CD1-CD2 3.5Å; I373-L465 HydrophobicContact CG1-CB 4.27Å; I373-L465 HydrophobicContact CG1-CD2 3.89Å; I373-L465 PolarHBondContact N-O 2.84Å; I373-L465 PolarHBondContact O-N 2.79Å; I393-L465 HydrophobicContact CD1-CD1 4.4Å; I393-L465 HydrophobicContact CG2-CD1 4.05Å; R395-L465 WeakPolarHBondContact O-CD1 3.34Å; Y439-L465 HydrophobicContact CD2-CD1 4.4Å; Y439-L465 HydrophobicContact CE2-CD1 3.45Å; Y439-L465 VanDerWaalsContact CE2-CD1 3.45Å; V455-L465 HydrophobicContact CG1-CD2 4.01Å; L465-A467 HydrophobicContact CD2-CB 4.4Å; L465-A467 HydrophobicContact CG-CB 4.45Å
466L96.1Very high83.2Confident34 Ų3455.3 Ų55.318%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-118.9118161.8-179.963.9000108.7L132 K370 I394 R395 F468L132-L466 HydrophobicContact CD2-CD2 4.48Å; K370-L466 HydrophobicContact CG-CD1 4.05Å; I394-L466 WeakPolarHBondContact CA-O 3.37Å; I394-L466 HydrophobicContact CB-CB 4.45Å; I394-L466 HydrophobicContact CB-CD2 4.15Å; I394-L466 HydrophobicContact CB-CG 4.1Å; I394-L466 WeakPolarHBondContact CB-O 3.36Å; I394-L466 HydrophobicContact CG2-CD2 3.99Å; I394-L466 HydrophobicContact CG2-CG 4.5Å; I394-L466 PolarHBondContact N-O 2.99Å; R395-L466 HydrophobicContact CB-CB 4.22Å; R395-L466 PolarHBondContact N-O 2.85Å; R395-L466 PolarHBondContact O-N 2.83Å; L466-F468 HydrophobicContact CD1-CE2 3.84Å; L466-F468 HydrophobicContact CD1-CZ 4.37Å; L466-F468 HydrophobicContact CD2-CE2 4.21Å; L466-F468 HydrophobicContact CG-CE2 3.95Å
467A97.9Very high80.9Confident2 Ų262.5 Ų62.52%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-134157.7175.900000110.7I371 L391 I392 I393 L465I371-A467 HydrophobicContact CB-CB 4.33Å; I371-A467 PolarHBondContact N-O 3.45Å; I371-A467 PolarHBondContact O-N 3.16Å; L391-A467 HydrophobicContact CD1-CB 4.01Å; I392-A467 CarbonylContact O-C 3.59Å; I392-A467 WeakPolarHBondContact O-CA 3.46Å; I392-A467 WeakPolarHBondContact O-CB 3.1Å; I393-A467 HydrophobicContact CD1-CB 3.8Å; L465-A467 HydrophobicContact CD2-CB 4.4Å; L465-A467 HydrophobicContact CG-CB 4.45Å
468F98.7Very high80.5Confident2 Ų264.7 Ų64.71%0.00934%0.344CS..EExtended strand (participates in β ladder)trans-129.5144.3171-69.2-106.8000109.7F88 I130 L132 V281 V368 D369 K370 L391 I392 I394 L466F88-F468 HydrophobicContact CE1-CB 4.41Å; F88-F468 HydrophobicContact CZ-CB 3.78Å; I130-F468 HydrophobicContact CB-CE1 4.11Å; I130-F468 HydrophobicContact CD1-CD1 4.11Å; I130-F468 HydrophobicContact CD1-CE1 4.01Å; I130-F468 HydrophobicContact CG2-CE1 3.77Å; I130-F468 HydrophobicContact CG2-CZ 4.31Å; L132-F468 HydrophobicContact CD2-CD2 4.34Å; L132-F468 HydrophobicContact CD2-CE2 3.44Å; L132-F468 VanDerWaalsContact CD2-CE2 3.44Å; L132-F468 HydrophobicContact CD2-CZ 3.76Å; V281-F468 HydrophobicContact CB-CD1 4.31Å; V281-F468 HydrophobicContact CB-CE1 4.48Å; V281-F468 HydrophobicContact CB-CG 4.49Å; V281-F468 HydrophobicContact CG1-CB 4.41Å; V281-F468 HydrophobicContact CG1-CD1 4.23Å; V281-F468 HydrophobicContact CG1-CG 4.38Å; V281-F468 HydrophobicContact CG2-CB 4.37Å; V281-F468 HydrophobicContact CG2-CD1 4.09Å; V281-F468 HydrophobicContact CG2-CD2 3.85Å; V281-F468 HydrophobicContact CG2-CE1 4.29Å; V281-F468 HydrophobicContact CG2-CE2 4.08Å; V281-F468 HydrophobicContact CG2-CG 3.85Å; V281-F468 HydrophobicContact CG2-CZ 4.29Å; V368-F468 HydrophobicContact CG1-CD1 4.17Å; D369-F468 CarbonylContact O-C 3.58Å; D369-F468 VanDerWaalsContact O-CA 3.25Å; D369-F468 WeakPolarHBondContact O-CA 3.49Å; K370-F468 HydrophobicContact CB-CD1 3.94Å; K370-F468 HydrophobicContact CB-CE1 3.57Å; K370-F468 HydrophobicContact CB-CZ 4.1Å; K370-F468 HydrophobicContact CD-CE1 4.28Å; K370-F468 HydrophobicContact CD-CZ 4.1Å; K370-F468 HydrophobicContact CG-CD1 4.38Å; K370-F468 HydrophobicContact CG-CE1 3.74Å; K370-F468 HydrophobicContact CG-CE2 4.33Å; K370-F468 HydrophobicContact CG-CZ 3.71Å; L391-F468 CarbonylContact C-O 3.44Å; L391-F468 WeakPolarHBondContact CA-O 3.27Å; I392-F468 HydrophobicContact CG2-CB 4.09Å; I392-F468 PolarHBondContact N-O 2.85Å; I392-F468 PolarHBondContact O-N 2.86Å; I394-F468 HydrophobicContact CD1-CD2 4.49Å; I394-F468 HydrophobicContact CG1-CD2 3.62Å; I394-F468 HydrophobicContact CG1-CE2 3.97Å; L466-F468 HydrophobicContact CD1-CE2 3.84Å; L466-F468 HydrophobicContact CD1-CZ 4.37Å; L466-F468 HydrophobicContact CD2-CE2 4.21Å; L466-F468 HydrophobicContact CG-CE2 3.95Å
469R98.1Very high80.4Confident17 Ų1763.5 Ų63.56%0.06434%0.338CS..EExtended strand (participates in β ladder)trans-130.5137.7171.665.5171.7-177.1-174.74112.1V368 D369 I371 T389 V390 L391 Y471V368-R469 CarbonylContact C-O 3.6Å; V368-R469 WeakPolarHBondContact CA-O 3.46Å; D369-R469 HydrophobicContact CB-CG 3.72Å; D369-R469 PolarHBondContact N-O 3.34Å; D369-R469 PolarHBondContact O-N 2.89Å; D369-R469 IonicContact OD2-CZ 3.55Å; D369-R469 IonicContact OD2-NE 2.82Å; D369-R469 PolarHBondContact OD2-NE 2.95Å; D369-R469 IonicContact OD2-NH2 2.77Å; D369-R469 PolarHBondContact OD2-NH2 3.46Å; I371-R469 HydrophobicContact CD1-CG 4.01Å; T389-R469 HydrophobicContact CG2-CB 3.55Å; T389-R469 HydrophobicContact CG2-CG 4.12Å; V390-R469 CarbonylContact O-C 3.59Å; V390-R469 WeakPolarHBondContact O-CA 3.39Å; L391-R469 HydrophobicContact CB-CB 4.31Å; L391-R469 HydrophobicContact CD1-CB 3.88Å; R469-Y471 HydrophobicContact CG-CD1 4.36Å; R469-Y471 HydrophobicContact CG-CE1 4.39Å
470A98.6Very high81.5Confident0 Ų058.6 Ų58.60%032%0.317CS..EExtended strand (participates in β ladder)trans-110142.1172.500000110.5F86 F88 A367 V368 T389 V390F86-A470 HydrophobicContact CD2-CB 3.96Å; F86-A470 HydrophobicContact CE2-CB 3.56Å; F86-A470 HydrophobicContact CZ-CB 4.08Å; F86-A470 VanDerWaalsContact CZ-O 3.31Å; F86-A470 WeakPolarHBondContact CZ-O 3.41Å; F88-A470 HydrophobicContact CB-CB 4.1Å; F88-A470 HydrophobicContact CD1-CB 3.9Å; F88-A470 HydrophobicContact CD2-CB 3.65Å; F88-A470 HydrophobicContact CE1-CB 4.15Å; F88-A470 HydrophobicContact CE2-CB 3.89Å; F88-A470 HydrophobicContact CG-CB 3.65Å; F88-A470 HydrophobicContact CZ-CB 4.15Å; A367-A470 WeakPolarHBondContact O-CA 3.22Å; V368-A470 HydrophobicContact CG2-CB 4.45Å; T389-A470 WeakPolarHBondContact CA-O 3.04Å; V390-A470 PolarHBondContact N-O 3.45Å; V390-A470 PolarHBondContact O-N 3.48Å
471Y98.3Very high83Confident26 Ų2651.2 Ų51.210%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-154161.1-179.952.6-87.2000109.7F366 A367 D369 L385 A388 R469F366-Y471 CarbonylContact C-O 3.58Å; F366-Y471 WeakPolarHBondContact CA-O 3.44Å; A367-Y471 HydrophobicContact CB-CD2 4.29Å; A367-Y471 HydrophobicContact CB-CE2 3.7Å; A367-Y471 PolarHBondContact N-O 3.16Å; A367-Y471 PolarHBondContact O-N 3.11Å; A367-Y471 VanDerWaalsContact O-N 3.12Å; D369-Y471 HydrophobicContact CB-CE1 4.38Å; D369-Y471 PolarHBondContact OD1-OH 2.8Å; D369-Y471 WeakPolarHBondContact OD2-CE1 3.38Å; D369-Y471 PolarHBondContact OD2-OH 3.12Å; L385-Y471 HydrophobicContact CD1-CD1 3.74Å; L385-Y471 HydrophobicContact CD1-CD2 4.19Å; L385-Y471 HydrophobicContact CD1-CE1 4.04Å; L385-Y471 HydrophobicContact CD1-CE2 4.45Å; L385-Y471 HydrophobicContact CD1-CG 3.82Å; A388-Y471 WeakPolarHBondContact O-CB 3.44Å; R469-Y471 HydrophobicContact CG-CD1 4.36Å; R469-Y471 HydrophobicContact CG-CE1 4.39Å
472A97.9Very high84.7Confident4 Ų446 Ų463%0.03326%0.262CS..  trans-68.8136.9177.200000110.9V76 P85 S387 V474V76-A472 HydrophobicContact CG1-CB 4.16Å; V76-A472 HydrophobicContact CG2-CB 3.79Å; P85-A472 HydrophobicContact CG-CB 3.75Å; S387-A472 PolarHBondContact OG-N 2.78Å; A472-V474 VanDerWaalsContact C-N 3.3Å; A472-V474 PolarHBondContact O-N 3.14Å
473N96.3Very high86.5Confident37 Ų3740.7 Ų40.720%0.19824%0.235CC..  trans-95.546-175.5-172.144.6000112S360 P361 V363 D364 F366 A367S360-N473 VanDerWaalsContact OG-CG 3.27Å; S360-N473 PolarHBondContact OG-ND2 2.89Å; S360-N473 PolarHBondContact OG-OD1 3.48Å; P361-N473 PolarHBondContact O-ND2 3.26Å; V363-N473 WeakPolarHBondContact O-CB 3.17Å; V363-N473 PolarHBondContact O-ND2 2.7Å; D364-N473 PolarHBondContact O-N 3.2Å; F366-N473 VanDerWaalsContact C-CB 3.46Å; F366-N473 WeakPolarHBondContact O-CB 3.44Å; A367-N473 HydrophobicContact CB-CB 3.83Å
474V91.5Very high87.4Confident17 Ų1739.5 Ų39.510%0.10322%0.222CC..  trans-85.2137.5176-69.50000110T75 V76 R79 F80 D364 A472 T476T75-V474 HydrophobicContact CG2-CB 3.75Å; T75-V474 HydrophobicContact CG2-CG2 3.64Å; V76-V474 HydrophobicContact CG2-CG2 3.88Å; R79-V474 HydrophobicContact CB-CG1 4.07Å; R79-V474 HydrophobicContact CG-CG1 3.96Å; F80-V474 HydrophobicContact CD2-CG1 4.46Å; F80-V474 HydrophobicContact CE2-CG1 3.81Å; D364-V474 HydrophobicContact CB-CG1 4.05Å; A472-V474 VanDerWaalsContact C-N 3.3Å; A472-V474 PolarHBondContact O-N 3.14Å; V474-T476 PolarHBondContact O-N 3.42Å
475S71.9Confident87.2Confident79 Ų7938.8 Ų38.855%0.55222%0.219SC*.  trans-51.5131.2-179.9-168.80000110.5D477S475-D477 VanDerWaalsContact C-N 3.3Å; S475-D477 PolarHBondContact O-N 2.83Å; S475-D477 PolarHBondContact OG-OD1 3.24Å
476T53.6Low86.7Confident85 Ų8541.7 Ų41.752%0.52124%0.236SC..  trans-9650.617662.20000110K386 V474K386-T476 HydrophobicContact CB-CG2 4.02Å; K386-T476 HydrophobicContact CD-CG2 3.82Å; K386-T476 HydrophobicContact CG-CG2 4.05Å; K386-T476 VanDerWaalsContact NZ-C 3.26Å; K386-T476 PolarHBondContact NZ-O 3.12Å; V474-T476 PolarHBondContact O-N 3.42Å
477D41.2Very low85.8Confident197 Ų19742.4 Ų42.4100%1.05324%0.241SC*.  trans-48.30170.3-71.611.3000110.9K386 S475K386-D477 PolarHBondContact NZ-O 3.44Å; S475-D477 VanDerWaalsContact C-N 3.3Å; S475-D477 PolarHBondContact O-N 2.83Å; S475-D477 PolarHBondContact OG-OD1 3.24Å

Retrieved 477 of 477 residues in 878.9 ms (Link to these results)

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