A0A096M8V3_POEFO Loading...

Activating signal cointegrator 1 complex subunit 1

AlphaFold DB , UniProt , Accession A0A096M8V3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M46Very low62.2Low102 Ų10280.5 Ų80.550%0.50241%0.411SS..  0127.90-86.8-156.1179.500108.2V3 P7 I20M1-V3 PolarHBondContact O-N 3.37Å; M1-P7 HydrophobicContact CE-CG 3.75Å; M1-P7 HydrophobicContact SD-CG 4.13Å; M1-I20 HydrophobicContact CE-CD1 3.08Å; M1-I20 HydrophobicContact CE-CG1 3.62Å; M1-I20 HydrophobicContact SD-CB 4.17Å; M1-I20 HydrophobicContact SD-CD1 3.56Å; M1-I20 VanDerWaalsContact SD-CD1 3.56Å; M1-I20 HydrophobicContact SD-CG1 3.62Å
2D43.7Very low62.6Low41 Ų4187.3 Ų87.322%0.21945%0.449CS..  trans-77.9113.5173.1-175.3-6.6000108.8L4 R5 Q335D2-L4 PolarHBondContact O-N 3.4Å; D2-L4 WeakPolarHBondContact OD1-CA 3.3Å; D2-L4 VanDerWaalsContact OD1-CB 3.3Å; D2-L4 WeakPolarHBondContact OD1-CB 3.1Å; D2-L4 PolarHBondContact OD1-N 2.62Å; D2-R5 HydrophobicContact CB-CB 4.05Å; D2-R5 CarbonylContact O-C 3.52Å; D2-R5 PolarHBondContact O-N 3.47Å; D2-R5 VanDerWaalsContact O-N 3.14Å; D2-R5 PolarHBondContact OD1-N 2.92Å; D2-R5 WeakPolarHBondContact OD2-CB 3.21Å; D2-R5 WeakPolarHBondContact OD2-CG 3.13Å; D2-Q335 PolarHBondContact OD1-NE2 3.45Å; D2-Q335 PolarHBondContact OD2-NE2 2.88Å
3V49.4Very low62.9Low58 Ų5885.5 Ų85.535%0.35247%0.465SS..SBendtrans-64.7-25.7177.5176.30000111.2M1 T136M1-V3 PolarHBondContact O-N 3.37Å; V3-T136 HydrophobicContact CB-CG2 3.93Å; V3-T136 HydrophobicContact CG1-CG2 4.31Å; V3-T136 HydrophobicContact CG2-CG2 3.62Å
4L52Low62.1Low48 Ų4891.9 Ų91.925%0.25148%0.479SS..SBendtrans-83.9-17177.6-53.3173.3000111.8D2 V195D2-L4 PolarHBondContact O-N 3.4Å; D2-L4 WeakPolarHBondContact OD1-CA 3.3Å; D2-L4 VanDerWaalsContact OD1-CB 3.3Å; D2-L4 WeakPolarHBondContact OD1-CB 3.1Å; D2-L4 PolarHBondContact OD1-N 2.62Å; L4-V195 HydrophobicContact CD1-CG2 3.8Å
5R60.6Low62.8Low202 Ų20293.9 Ų93.976%0.76249%0.489SS*.SBendtrans-134.167.3175.6-60.3-179-178.2178.23.2111.4D2D2-R5 HydrophobicContact CB-CB 4.05Å; D2-R5 CarbonylContact O-C 3.52Å; D2-R5 PolarHBondContact O-N 3.47Å; D2-R5 VanDerWaalsContact O-N 3.14Å; D2-R5 PolarHBondContact OD1-N 2.92Å; D2-R5 WeakPolarHBondContact OD2-CB 3.21Å; D2-R5 WeakPolarHBondContact OD2-CG 3.13Å
6P63Low63Low20 Ų2095 Ų9513%0.1349%0.486CS..PPolyproline II helixtrans-62.6144.5178.726-34.1000111L8 R17 R18 N19P6-L8 PolarHBondContact O-N 2.69Å; P6-R17 HydrophobicContact CB-CB 4.44Å; P6-R17 HydrophobicContact CG-CB 3.86Å; P6-R17 HydrophobicContact CG-CG 4.05Å; P6-R18 WeakPolarHBondContact CB-O 3.32Å; P6-N19 WeakPolarHBondContact CB-OD1 3.44Å; P6-N19 WeakPolarHBondContact CG-OD1 3.2Å
7P65.6Low63.4Low55 Ų5598.9 Ų98.936%0.35749%0.493SS..PPolyproline II helixtrans-59137.8179.221.1-30.5000111.6M1 R18M1-P7 HydrophobicContact CE-CG 3.75Å; M1-P7 HydrophobicContact SD-CG 4.13Å; P7-R18 WeakPolarHBondContact CD-O 3.25Å; P7-R18 HydrophobicContact CG-CB 4.4Å; P7-R18 PolarHBondContact O-N 2.92Å
8L74.3Confident63.5Low116 Ų116100.8 Ų100.861%0.60749%0.493SS*.EExtended strand (participates in β ladder)trans-88.1134.4179.7-59.8177.8000110.4P6 I15 Y16 R17P6-L8 PolarHBondContact O-N 2.69Å; L8-I15 HydrophobicContact CB-CG2 3.86Å; L8-I15 HydrophobicContact CD1-CG2 4.06Å; L8-I15 HydrophobicContact CD2-CG2 4.04Å; L8-I15 HydrophobicContact CG-CG2 4.2Å; L8-Y16 CarbonylContact C-O 3.51Å; L8-Y16 VanDerWaalsContact CA-O 3.31Å; L8-Y16 WeakPolarHBondContact CA-O 3.46Å; L8-R17 HydrophobicContact CD2-CB 4.47Å; L8-R17 HydrophobicContact CD2-CG 3.56Å
9I82.3Confident63.3Low64 Ų6499.7 Ų99.733%0.32849%0.49SS..EExtended strand (participates in β ladder)trans-116.9130.4174.1-59-171.6000108.9V11 I15 Y16 R18I9-V11 HydrophobicContact CG2-CG2 3.73Å; I9-I15 CarbonylContact O-C 3.5Å; I9-I15 WeakPolarHBondContact O-CA 3.43Å; I9-Y16 PolarHBondContact N-O 2.94Å; I9-Y16 PolarHBondContact O-N 3.28Å; I9-R18 HydrophobicContact CD1-CB 3.69Å; I9-R18 HydrophobicContact CD1-CG 4.03Å; I9-R18 HydrophobicContact CG1-CB 3.95Å
10N72.1Confident62.7Low109 Ų10999.9 Ų99.958%0.58349%0.492SS*.EExtended strand (participates in β ladder)trans-89.8116.6169-171.9-19.2000109.4G13 R14N10-G13 VanDerWaalsContact OD1-CA 3.23Å; N10-G13 WeakPolarHBondContact OD1-CA 3.17Å; N10-G13 PolarHBondContact OD1-N 3.07Å; N10-R14 WeakPolarHBondContact CA-O 3.24Å
11V75.2Confident62.1Low71 Ų7198.3 Ų98.343%0.4349%0.488SS..EExtended strand (participates in β ladder)trans-120114.2170-174.40000107.9I9 G13 R14 Y16I9-V11 HydrophobicContact CG2-CG2 3.73Å; V11-G13 VanDerWaalsContact C-N 3.33Å; V11-G13 PolarHBondContact O-N 3.12Å; V11-R14 PolarHBondContact N-O 3.16Å; V11-R14 PolarHBondContact O-N 3.34Å; V11-R14 VanDerWaalsContact O-N 3.13Å; V11-Y16 HydrophobicContact CB-CD2 3.98Å; V11-Y16 HydrophobicContact CB-CE2 3.74Å; V11-Y16 HydrophobicContact CG2-CD2 4.08Å; V11-Y16 HydrophobicContact CG2-CE2 4.32Å
12N66.5Low61.8Low161 Ų161101.1 Ų101.186%0.86150%0.497SS*.THydrogen-bonded Turntrans52.843.9178.8-60.1-25.1000113.9R14N12-R14 VanDerWaalsContact C-N 3.26Å; N12-R14 PolarHBondContact O-N 2.62Å
13G67.4Low61.4Low64 Ų64107.2 Ų107.266%0.6652%0.524SS*.THydrogen-bonded Turntrans79.72.9177.800000114.6N10 V11N10-G13 VanDerWaalsContact OD1-CA 3.23Å; N10-G13 WeakPolarHBondContact OD1-CA 3.17Å; N10-G13 PolarHBondContact OD1-N 3.07Å; V11-G13 VanDerWaalsContact C-N 3.33Å; V11-G13 PolarHBondContact O-N 3.12Å
14R51.3Low60.5Low176 Ų176110.7 Ų110.766%0.66454%0.537SS*.EExtended strand (participates in β ladder)trans-108.8132.6174.5-66.9179.4-177.8170.41.7109.8N10 V11 N12 Y16N10-R14 WeakPolarHBondContact CA-O 3.24Å; V11-R14 PolarHBondContact N-O 3.16Å; V11-R14 PolarHBondContact O-N 3.34Å; V11-R14 VanDerWaalsContact O-N 3.13Å; N12-R14 VanDerWaalsContact C-N 3.26Å; N12-R14 PolarHBondContact O-N 2.62Å; R14-Y16 HydrophobicContact CB-CD2 4.39Å; R14-Y16 HydrophobicContact CB-CE2 3.51Å; R14-Y16 WeakPolarHBondContact O-CD2 3.42Å; R14-Y16 VanDerWaalsContact O-CE2 3.26Å; R14-Y16 WeakPolarHBondContact O-CE2 3.49Å
15I72.9Confident59.4Low122 Ų122116.9 Ų116.963%0.62656%0.564SS**EExtended strand (participates in β ladder)trans-91.3121.6-178.5-56.4177.6000108.8L8 I9L8-I15 HydrophobicContact CB-CG2 3.86Å; L8-I15 HydrophobicContact CD1-CG2 4.06Å; L8-I15 HydrophobicContact CD2-CG2 4.04Å; L8-I15 HydrophobicContact CG-CG2 4.2Å; I9-I15 CarbonylContact O-C 3.5Å; I9-I15 WeakPolarHBondContact O-CA 3.43Å
16Y64.9Low58.2Low111 Ų111115.9 Ų115.944%0.43556%0.561SS.*EExtended strand (participates in β ladder)trans-114.3143.3179-61.2-90.8000110.1L8 I9 V11 R14L8-Y16 CarbonylContact C-O 3.51Å; L8-Y16 VanDerWaalsContact CA-O 3.31Å; L8-Y16 WeakPolarHBondContact CA-O 3.46Å; I9-Y16 PolarHBondContact N-O 2.94Å; I9-Y16 PolarHBondContact O-N 3.28Å; V11-Y16 HydrophobicContact CB-CD2 3.98Å; V11-Y16 HydrophobicContact CB-CE2 3.74Å; V11-Y16 HydrophobicContact CG2-CD2 4.08Å; V11-Y16 HydrophobicContact CG2-CE2 4.32Å; R14-Y16 HydrophobicContact CB-CD2 4.39Å; R14-Y16 HydrophobicContact CB-CE2 3.51Å; R14-Y16 WeakPolarHBondContact O-CD2 3.42Å; R14-Y16 VanDerWaalsContact O-CE2 3.26Å; R14-Y16 WeakPolarHBondContact O-CE2 3.49Å
17R71.1Confident56.6Low162 Ų162123.1 Ų123.161%0.61159%0.593SS**EExtended strand (participates in β ladder)trans-84.3121.4169.3-71.4174.6-176.8160.61.2108.8P6 L8 G100P6-R17 HydrophobicContact CB-CB 4.44Å; P6-R17 HydrophobicContact CG-CB 3.86Å; P6-R17 HydrophobicContact CG-CG 4.05Å; L8-R17 HydrophobicContact CD2-CB 4.47Å; L8-R17 HydrophobicContact CD2-CG 3.56Å; R17-G100 PolarHBondContact NH1-O 3.08Å
18R64.4Low55.1Low132 Ų132129 Ų12950%0.49862%0.616SS.*  trans-90.1105.2174.6175174.2159.2-172.7-2.1109.8P6 P7 I9P6-R18 WeakPolarHBondContact CB-O 3.32Å; P7-R18 WeakPolarHBondContact CD-O 3.25Å; P7-R18 HydrophobicContact CG-CB 4.4Å; P7-R18 PolarHBondContact O-N 2.92Å; I9-R18 HydrophobicContact CD1-CB 3.69Å; I9-R18 HydrophobicContact CD1-CG 4.03Å; I9-R18 HydrophobicContact CG1-CB 3.95Å
19N60.3Low52.9Low80 Ų80132 Ų13243%0.42863%0.627SS.*  trans-86.9117.1165.2-65.9-13.5000107.6P6 V21P6-N19 WeakPolarHBondContact CB-OD1 3.44Å; P6-N19 WeakPolarHBondContact CG-OD1 3.2Å; N19-V21 PolarHBondContact O-N 2.9Å; N19-V21 VanDerWaalsContact O-N 3.13Å
20I51.2Low50.7Low104 Ų104137.8 Ų137.853%0.53365%0.653SS.*  trans-69.8111.5169.2-66.5-169.7000107.2M1M1-I20 HydrophobicContact CE-CD1 3.08Å; M1-I20 HydrophobicContact CE-CG1 3.62Å; M1-I20 HydrophobicContact SD-CB 4.17Å; M1-I20 HydrophobicContact SD-CD1 3.56Å; M1-I20 VanDerWaalsContact SD-CD1 3.56Å; M1-I20 HydrophobicContact SD-CG1 3.62Å
21V50.1Low48.6Very low67 Ų67139 Ų13941%0.40666%0.66SS.*  trans-102.5132.2169-175.30000105.8N19 E23N19-V21 PolarHBondContact O-N 2.9Å; N19-V21 VanDerWaalsContact O-N 3.13Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.17Å
22K38.7Very low46.6Very low160 Ų160146 Ų14670%0.69668%0.684SS**  trans-63.1102.7160.1-79-174.4171.4-169.70106.6E24K22-E24 PolarHBondContact O-N 2.89Å
23E35.1Very low44.8Very low169 Ų169142.6 Ų142.679%0.7967%0.673SS**  trans-73.785161-79.4-178164.400106.6V21V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.17Å
24E32Very low43.2Very low131 Ų131149 Ų14961%0.61268%0.679SS**  trans-71.5125.3155.7-74.2172.6-16800106K22 Y26K22-E24 PolarHBondContact O-N 2.89Å; E24-Y26 VanDerWaalsContact O-CD2 3.24Å; E24-Y26 WeakPolarHBondContact O-CD2 3.39Å; E24-Y26 WeakPolarHBondContact O-CE2 3.41Å; E24-Y26 PolarHBondContact O-N 2.67Å; E24-Y26 VanDerWaalsContact O-N 3.09Å
25H28.5Very low42.3Very low178 Ų178149 Ų14982%0.82469%0.689SS**  trans-60.7113.3175-89.3-69.4000107.8E27H25-E27 PolarHBondContact O-N 3.13Å
26Y35.6Very low40.4Very low181 Ų181145.1 Ų145.171%0.7168%0.679SS**  trans-73.7103.3175-64.4-91.3000108.2E24E24-Y26 VanDerWaalsContact O-CD2 3.24Å; E24-Y26 WeakPolarHBondContact O-CD2 3.39Å; E24-Y26 WeakPolarHBondContact O-CE2 3.41Å; E24-Y26 PolarHBondContact O-N 2.67Å; E24-Y26 VanDerWaalsContact O-N 3.09Å
27E28.8Very low38.9Very low172 Ų172145.3 Ų145.380%0.80469%0.693SS**  trans-84.5118.9148.2-71.3-175.4175.500106.1H25 E29H25-E27 PolarHBondContact O-N 3.13Å; E27-E29 VanDerWaalsContact C-N 3.28Å; E27-E29 PolarHBondContact O-N 3.47Å
28E33.6Very low37Very low179 Ų179143.1 Ų143.184%0.83670%0.703SS**  trans-68.289.9170.2-74.4173166.600107.3E30E28-E30 VanDerWaalsContact C-N 3.32Å; E28-E30 PolarHBondContact O-N 2.96Å; E28-E30 VanDerWaalsContact O-N 3.1Å
29E29Very low35.8Very low179 Ų179146 Ų14684%0.83672%0.722SS**  trans-74.495.6159.9-73.2-160.6166.800107.9E27 D31E27-E29 VanDerWaalsContact C-N 3.28Å; E27-E29 PolarHBondContact O-N 3.47Å; E29-D31 VanDerWaalsContact C-N 3.3Å; E29-D31 PolarHBondContact O-N 3.18Å
30E35.5Very low34.6Very low186 Ų186147.1 Ų147.187%0.86974%0.736SS**  trans-6090159.6-71.4-176.7155.200109.2E28E28-E30 VanDerWaalsContact C-N 3.32Å; E28-E30 PolarHBondContact O-N 2.96Å; E28-E30 VanDerWaalsContact O-N 3.1Å
31D27.9Very low33.7Very low135 Ų135151.2 Ų151.272%0.72275%0.753SS**  trans-133.372.3155.7-148.3-5.6000110.3E29 S33E29-D31 VanDerWaalsContact C-N 3.3Å; E29-D31 PolarHBondContact O-N 3.18Å; D31-S33 VanDerWaalsContact C-N 3.34Å; D31-S33 PolarHBondContact O-N 2.75Å
32F33.3Very low32.8Very low216 Ų216152.4 Ų152.495%0.94777%0.77SS**  trans-89.569.7169.8-118.6-90.1000108.6Y34F32-Y34 PolarHBondContact O-N 2.81Å
33S29.3Very low33Very low90 Ų90153.4 Ų153.463%0.62978%0.782SS**  trans-88.795167.358.50000110.2D31 M35D31-S33 VanDerWaalsContact C-N 3.34Å; D31-S33 PolarHBondContact O-N 2.75Å; S33-M35 PolarHBondContact O-N 3.48Å; S33-M35 VanDerWaalsContact O-N 3.08Å
34Y34.4Very low32.9Very low199 Ų199153.8 Ų153.878%0.7878%0.784SS**  trans-63.699.6168.5176.7-99.9000109.5F32 G36F32-Y34 PolarHBondContact O-N 2.81Å; Y34-G36 PolarHBondContact O-N 2.97Å
35M31.3Very low33.1Very low176 Ų176156.9 Ų156.987%0.86780%0.798SS**  trans-84.497.3162.9-70.3-69.6-89.400107.5S33S33-M35 PolarHBondContact O-N 3.48Å; S33-M35 VanDerWaalsContact O-N 3.08Å
36G32.6Very low33.5Very low41 Ų41155.5 Ų155.542%0.42380%0.797SS.*PPolyproline II helixtrans-63.9148.2177.800000112.1Y34Y34-G36 PolarHBondContact O-N 2.97Å
37P34Very low33.7Very low114 Ų114155.4 Ų155.474%0.7480%0.803SS**PPolyproline II helixtrans-68.5139172.827.8-30.1000110.1E39P37-E39 PolarHBondContact O-N 3.22Å
38S32.2Very low34.5Very low117 Ų117151.8 Ų151.882%0.81879%0.793SS**PPolyproline II helixtrans-55.9131.6175.647.20000111.7S40S38-S40 PolarHBondContact O-N 2.82Å
39E38.5Very low34.9Very low192 Ų192148.5 Ų148.590%0.89779%0.789SS**PPolyproline II helixtrans-56.4116.4173-70.8179.2150.600111.5P37P37-E39 PolarHBondContact O-N 3.22Å
40S34.8Very low36.1Very low103 Ų103142.9 Ų142.972%0.7276%0.764SS**  trans169.2107.2133.439.10000109.2S38S38-S40 PolarHBondContact O-N 2.82Å
41E32.9Very low37.6Very low191 Ų191138.9 Ų138.989%0.89375%0.753SS**  161.8123.5126.2-85174.2-179.200110.5
42A30.5Very low40.2Very low92 Ų92135 Ų13576%0.7673%0.73SS**  trans32.7117.4159.600000120.4E44A42-E44 PolarHBondContact O-N 3.11Å; A42-E44 VanDerWaalsContact O-N 3.12Å
43L42.8Very low42.7Very low181 Ų181132.3 Ų132.395%0.94872%0.718SS**  trans-52.3106.5157.9-66.7157.6000110.9
44E32.8Very low45.8Very low177 Ų177129.1 Ų129.183%0.82769%0.694SS**  trans-111.1124149.5-68.2-172.2178.300106.6A42 D46A42-E44 PolarHBondContact O-N 3.11Å; A42-E44 VanDerWaalsContact O-N 3.12Å; E44-D46 PolarHBondContact O-N 3Å
45E37.1Very low48.6Very low195 Ų195123.2 Ų123.291%0.91167%0.673SS**  trans-62.491.3171.1-71.4177.3161.400107.6E47E45-E47 PolarHBondContact O-N 3.37Å; E45-E47 VanDerWaalsContact O-N 3.15Å
46D35.9Very low51.5Low150 Ų150122.1 Ų122.180%0.80267%0.666SS**  trans-57.8116.1177.2-16633.1000108.7E44 T48E44-D46 PolarHBondContact O-N 3Å; D46-T48 PolarHBondContact O-N 2.91Å
47E40.6Very low54.3Low178 Ų178122.7 Ų122.783%0.83266%0.662SS**  trans-50.1113.7170.6-75.3-177.7142.600107.6E45 C49E45-E47 PolarHBondContact O-N 3.37Å; E45-E47 VanDerWaalsContact O-N 3.15Å; E47-C49 PolarHBondContact O-N 3.45Å
48T44.8Very low56.9Low97 Ų97125.8 Ų125.860%0.59567%0.672SS**  trans-55.4115.8176.154.20000107.7D46 D50D46-T48 PolarHBondContact O-N 2.91Å; T48-D50 PolarHBondContact O-N 2.99Å; T48-D50 PolarHBondContact OG1-OD1 2.84Å
49C43.2Very low59.5Low110 Ų110129.6 Ų129.674%0.74367%0.674SS**  trans-62.180.9172.9-174.70000108E47 T51E47-C49 PolarHBondContact O-N 3.45Å; C49-T51 PolarHBondContact O-N 3.26Å
50D54.6Low62.2Low60 Ų60121.1 Ų121.132%0.32164%0.638SS.*  trans-74.974.8-177.6-81.92.1000107.7T48 H52 K112T48-D50 PolarHBondContact O-N 2.99Å; T48-D50 PolarHBondContact OG1-OD1 2.84Å; D50-H52 PolarHBondContact O-N 3.23Å; D50-K112 VanDerWaalsContact OD2-CE 3.25Å; D50-K112 WeakPolarHBondContact OD2-CE 3.47Å; D50-K112 IonicContact OD2-NZ 3.69Å; D50-K112 PolarHBondContact OD2-NZ 2.76Å
51T66.6Low65.1Low103 Ų103119.2 Ų119.263%0.63262%0.615SS**  trans-61.7-18172.543.20000112.5C49C49-T51 PolarHBondContact O-N 3.26Å
52H81Confident68.1Low52 Ų52113.4 Ų113.424%0.24159%0.585CS.*SBendtrans-113.8138.3-178.7-65.2-79.1000112.8D50 I54 V119 E123D50-H52 PolarHBondContact O-N 3.23Å; H52-I54 PolarHBondContact O-N 2.81Å; H52-V119 VanDerWaalsContact CD2-CG1 3.48Å; H52-V119 WeakPolarHBondContact CD2-CG1 3.35Å; H52-E123 IonicContact CD2-OE1 3.71Å; H52-E123 IonicContact CD2-OE2 2.82Å; H52-E123 IonicContact CE1-OE1 3.97Å; H52-E123 VanDerWaalsContact NE2-CD 3.34Å; H52-E123 IonicContact NE2-OE1 3.79Å; H52-E123 PolarHBondContact NE2-OE1 3.1Å; H52-E123 IonicContact NE2-OE2 3.97Å
53F87.8Confident71.2Confident160 Ų160109 Ų10970%0.70255%0.549SS*.  trans-74.1110.4175.2-176.6-112.6000110.7E55F53-E55 HydrophobicContact CD1-CG 3.58Å; F53-E55 HydrophobicContact CE1-CB 4.48Å; F53-E55 HydrophobicContact CE1-CG 3.23Å; F53-E55 HydrophobicContact CZ-CG 4.16Å
54I92.8Very high73.7Confident23 Ų23101.6 Ų101.612%0.11851%0.514CS..  trans-94.8111.7174.7-56176.3000109.4H52 Y61 R62 C63 K112 V115H52-I54 PolarHBondContact O-N 2.81Å; I54-Y61 HydrophobicContact CG2-CD1 4.09Å; I54-Y61 HydrophobicContact CG2-CG 4.36Å; I54-R62 CarbonylContact C-O 3.6Å; I54-C63 HydrophobicContact CG1-CB 4.28Å; I54-K112 HydrophobicContact CB-CG 4.38Å; I54-K112 HydrophobicContact CD1-CG 3.96Å; I54-K112 HydrophobicContact CG2-CG 4.03Å; I54-V115 HydrophobicContact CD1-CB 4.35Å; I54-V115 HydrophobicContact CD1-CG1 4.16Å; I54-V115 HydrophobicContact CG1-CG1 4.23Å; I54-V115 HydrophobicContact CG2-CB 4.32Å; I54-V115 HydrophobicContact CG2-CG1 4.09Å
55E93.2Very high76.7Confident75 Ų7593.5 Ų93.535%0.3548%0.476SS..EExtended strand (participates in β ladder)trans-81.1133.8179.1-71.4169.7176.600111.3F53 Y61 R62F53-E55 HydrophobicContact CD1-CG 3.58Å; F53-E55 HydrophobicContact CE1-CB 4.48Å; F53-E55 HydrophobicContact CE1-CG 3.23Å; F53-E55 HydrophobicContact CZ-CG 4.16Å; E55-Y61 CarbonylContact O-C 3.55Å; E55-Y61 VanDerWaalsContact O-CA 3.26Å; E55-Y61 WeakPolarHBondContact O-CA 3.42Å; E55-R62 PolarHBondContact N-O 2.87Å; E55-R62 PolarHBondContact O-N 2.97Å; E55-R62 IonicContact OE2-CZ 2.91Å; E55-R62 IonicContact OE2-NH1 3.8Å; E55-R62 PolarHBondContact OE2-NH1 3.03Å
56Q92.4Very high79.3Confident154 Ų15490.1 Ų90.172%0.7247%0.465SS*.EExtended strand (participates in β ladder)trans-80.1134.9165-170174.40.500109.6Y61Q56-Y61 HydrophobicContact CB-CD1 4.26Å; Q56-Y61 HydrophobicContact CB-CE1 4.09Å; Q56-Y61 HydrophobicContact CG-CD1 4.48Å; Q56-Y61 HydrophobicContact CG-CE1 4.08Å
57T92.6Very high82Confident53 Ų5383.5 Ų83.533%0.32543%0.429SS..EExtended strand (participates in β ladder)trans-128.6165.8-17967.40000109.6K59 G60 R62T57-K59 PolarHBondContact O-N 3.08Å; T57-G60 PolarHBondContact N-O 3.3Å; T57-G60 PolarHBondContact O-N 3.2Å; T57-G60 VanDerWaalsContact O-N 3.14Å; T57-G60 PolarHBondContact OG1-N 3.04Å; T57-G60 PolarHBondContact OG1-O 2.96Å; T57-R62 HydrophobicContact CG2-CB 3.83Å
58D87.6Confident84.4Confident179 Ų17975.2 Ų75.296%0.95739%0.391SS*.THydrogen-bonded Turntrans-57.7-20.2178.5-55.9-27.3000113.9
59K87.6Confident86.7Confident197 Ų19771 Ų7186%0.85737%0.366SS*.THydrogen-bonded Turntrans-113.58.5-175.6-62.2-176.5-179178.20113.7T57T57-K59 PolarHBondContact O-N 3.08Å
60G93.8Very high89Confident14 Ų1467.3 Ų67.314%0.14434%0.339CS..EExtended strand (participates in β ladder)trans133.5-132.8-177.200000111.8T57T57-G60 PolarHBondContact N-O 3.3Å; T57-G60 PolarHBondContact O-N 3.2Å; T57-G60 VanDerWaalsContact O-N 3.14Å; T57-G60 PolarHBondContact OG1-N 3.04Å; T57-G60 PolarHBondContact OG1-O 2.96Å
61Y96.6Very high90.8Very high63 Ų6364.5 Ų64.525%0.24732%0.324CS..EExtended strand (participates in β ladder)trans-124.1150.3-176-62.7-92.3000111I54 E55 Q56 T108 A109 A110 Q111 K112I54-Y61 HydrophobicContact CG2-CD1 4.09Å; I54-Y61 HydrophobicContact CG2-CG 4.36Å; E55-Y61 CarbonylContact O-C 3.55Å; E55-Y61 VanDerWaalsContact O-CA 3.26Å; E55-Y61 WeakPolarHBondContact O-CA 3.42Å; Q56-Y61 HydrophobicContact CB-CD1 4.26Å; Q56-Y61 HydrophobicContact CB-CE1 4.09Å; Q56-Y61 HydrophobicContact CG-CD1 4.48Å; Q56-Y61 HydrophobicContact CG-CE1 4.08Å; Y61-T108 VanDerWaalsContact O-CA 3.26Å; Y61-T108 WeakPolarHBondContact O-CA 3.3Å; Y61-A109 PolarHBondContact N-O 3.41Å; Y61-A109 PolarHBondContact O-N 2.91Å; Y61-A110 WeakPolarHBondContact CD2-O 3.39Å; Y61-A110 WeakPolarHBondContact CE2-O 3.43Å; Y61-Q111 VanDerWaalsContact CD2-C 3.48Å; Y61-K112 HydrophobicContact CD1-CB 3.89Å; Y61-K112 HydrophobicContact CD1-CG 4.21Å; Y61-K112 HydrophobicContact CD2-CB 4.22Å; Y61-K112 HydrophobicContact CE1-CB 3.9Å; Y61-K112 HydrophobicContact CE1-CG 4.4Å; Y61-K112 HydrophobicContact CE2-CB 4.24Å; Y61-K112 HydrophobicContact CG-CB 4.04Å
62R95.8Very high92.2Very high68 Ų6859.6 Ų59.626%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-135.9138.5-178.4175.9-178.6174.4-84.6-5.9110.5I54 E55 T57 V106 I107 T108I54-R62 CarbonylContact C-O 3.6Å; E55-R62 PolarHBondContact N-O 2.87Å; E55-R62 PolarHBondContact O-N 2.97Å; E55-R62 IonicContact OE2-CZ 2.91Å; E55-R62 IonicContact OE2-NH1 3.8Å; E55-R62 PolarHBondContact OE2-NH1 3.03Å; T57-R62 HydrophobicContact CG2-CB 3.83Å; R62-V106 HydrophobicContact CG-CG1 3.92Å; R62-I107 CarbonylContact C-O 3.56Å; R62-I107 WeakPolarHBondContact CA-O 3.45Å; R62-T108 HydrophobicContact CB-CG2 4.09Å; R62-T108 HydrophobicContact CG-CG2 4.05Å
63C96.4Very high92.7Very high1 Ų160.1 Ų60.11%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-130.8140.4167.4-1730000109.3I54 I107 V115 V119I54-C63 HydrophobicContact CG1-CB 4.28Å; C63-I107 PolarHBondContact N-O 3.45Å; C63-I107 PolarHBondContact O-N 2.81Å; C63-V115 HydrophobicContact CB-CG1 3.39Å; C63-V119 HydrophobicContact CB-CG2 3.9Å
64A95.4Very high92.9Very high25 Ų2554.3 Ų54.321%0.20727%0.27CS..EExtended strand (participates in β ladder)trans-119.4125.7175.100000109.1Q104 I105A64-Q104 HydrophobicContact CB-CB 4.17Å; A64-I105 WeakPolarHBondContact CA-O 3.43Å
65I94.2Very high93Very high7 Ų753.2 Ų53.24%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-121.8141.1-178.263.1176.3000110.7V67 Q104 I105 I107 V119 V122I65-V67 HydrophobicContact CD1-CG2 4.13Å; I65-V67 HydrophobicContact CG1-CG2 4.16Å; I65-Q104 WeakPolarHBondContact O-CA 3.29Å; I65-I105 HydrophobicContact CD1-CB 4.48Å; I65-I105 HydrophobicContact CG1-CB 3.89Å; I65-I105 HydrophobicContact CG1-CG2 4.43Å; I65-I105 PolarHBondContact N-O 2.82Å; I65-I105 PolarHBondContact O-N 2.92Å; I65-I107 HydrophobicContact CD1-CD1 4.16Å; I65-V119 HydrophobicContact CG2-CG1 4.26Å; I65-V122 HydrophobicContact CD1-CB 4.36Å; I65-V122 HydrophobicContact CD1-CG1 3.72Å
66D91.6Very high93.1Very high124 Ų12451.9 Ų51.966%0.66326%0.259SS*.EExtended strand (participates in β ladder)trans-88.7115.1177.5-73.3-72.8000110.2Q104D66-Q104 VanDerWaalsContact OD1-CG 3.28Å; D66-Q104 WeakPolarHBondContact OD1-CG 3.41Å; D66-Q104 PolarHBondContact OD2-NE2 3.2Å; D66-Q104 VanDerWaalsContact OD2-NE2 3.07Å
67V92.6Very high93.2Very high11 Ų1145.4 Ų45.47%0.06723%0.233CC..  trans-131.6131.3179.3177.30000108.6I65 S69 L71 Y72 I75 I105 V126I65-V67 HydrophobicContact CD1-CG2 4.13Å; I65-V67 HydrophobicContact CG1-CG2 4.16Å; V67-S69 PolarHBondContact O-N 3.36Å; V67-L71 HydrophobicContact CG1-CB 3.97Å; V67-L71 HydrophobicContact CG1-CD1 4.42Å; V67-Y72 HydrophobicContact CB-CE1 4.13Å; V67-Y72 HydrophobicContact CG1-CD1 4.31Å; V67-Y72 HydrophobicContact CG1-CE1 4.26Å; V67-Y72 WeakPolarHBondContact O-CE1 3.47Å; V67-Y72 PolarHBondContact O-OH 3.36Å; V67-I75 HydrophobicContact CG1-CD1 4.11Å; V67-I105 HydrophobicContact CB-CD1 3.84Å; V67-I105 HydrophobicContact CB-CG1 4.43Å; V67-I105 HydrophobicContact CG1-CD1 4.26Å; V67-I105 HydrophobicContact CG2-CD1 3.91Å; V67-V126 HydrophobicContact CG1-CG1 4.4Å; V67-V126 HydrophobicContact CG1-CG2 3.87Å; V67-V126 HydrophobicContact CG2-CG2 4.24Å
68P92.7Very high93.3Very high3 Ų351 Ų512%0.01925%0.253CS..  trans-55.9134.6176.2-28.135.6000112.4V70 L71 L190 E194P68-V70 HydrophobicContact CB-CG2 4.05Å; P68-V70 PolarHBondContact O-N 3Å; P68-L71 WeakPolarHBondContact O-CB 3.39Å; P68-L71 PolarHBondContact O-N 3.06Å; P68-L190 HydrophobicContact CB-CB 3.63Å; P68-L190 HydrophobicContact CB-CD1 4.35Å; P68-L190 HydrophobicContact CG-CB 3.83Å; P68-L190 HydrophobicContact CG-CD1 4.31Å; P68-E194 WeakPolarHBondContact CG-OE1 3.37Å
69S93Very high93.5Very high10 Ų1051.4 Ų51.47%0.0725%0.247CC..G310 helixtrans-61.3-22.1-173.968.50000114.5V67 L71 Y72 E102V67-S69 PolarHBondContact O-N 3.36Å; S69-L71 PolarHBondContact O-N 3.09Å; S69-Y72 PolarHBondContact O-N 3.17Å; S69-E102 WeakPolarHBondContact CB-OE1 3.43Å; S69-E102 PolarHBondContact N-OE1 2.88Å; S69-E102 PolarHBondContact OG-OE1 2.83Å
70V90.8Very high93.8Very high31 Ų3142.4 Ų42.419%0.18821%0.21CC..G310 helixtrans-63.5-23.6173.4-59.50000113P68 L190P68-V70 HydrophobicContact CB-CG2 4.05Å; P68-V70 PolarHBondContact O-N 3Å; V70-L190 HydrophobicContact CG2-CB 3.82Å; V70-L190 HydrophobicContact CG2-CD1 3.98Å; V70-L190 HydrophobicContact CG2-CD2 4.38Å; V70-L190 HydrophobicContact CG2-CG 4.28Å
71L93.1Very high93.9Very high1 Ų148 Ų481%0.00523%0.232CC..G310 helixtrans-91.1-15.1-179.1-59.6-177000113.6V67 P68 S69 K73 Y74 I75 V126 F129 Q133 L190V67-L71 HydrophobicContact CG1-CB 3.97Å; V67-L71 HydrophobicContact CG1-CD1 4.42Å; P68-L71 WeakPolarHBondContact O-CB 3.39Å; P68-L71 PolarHBondContact O-N 3.06Å; S69-L71 PolarHBondContact O-N 3.09Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-K73 VanDerWaalsContact O-N 3.16Å; L71-Y74 HydrophobicContact CB-CD2 4.49Å; L71-Y74 HydrophobicContact CD2-CD2 3.98Å; L71-Y74 HydrophobicContact CD2-CE2 4.03Å; L71-Y74 WeakPolarHBondContact O-CB 3.45Å; L71-Y74 PolarHBondContact O-N 2.99Å; L71-I75 PolarHBondContact O-N 3.32Å; L71-V126 HydrophobicContact CD1-CG1 3.81Å; L71-F129 HydrophobicContact CD2-CB 4.4Å; L71-Q133 HydrophobicContact CD2-CG 4.29Å; L71-L190 HydrophobicContact CD1-CD1 3.8Å; L71-L190 HydrophobicContact CD2-CD1 4Å; L71-L190 HydrophobicContact CG-CD1 3.91Å
72Y94.6Very high93.9Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-54.8-39.6-178.1-66.6-9.8000113.4V67 S69 Y74 I75 I76 I96 P97 I101 G103 I105V67-Y72 HydrophobicContact CB-CE1 4.13Å; V67-Y72 HydrophobicContact CG1-CD1 4.31Å; V67-Y72 HydrophobicContact CG1-CE1 4.26Å; V67-Y72 WeakPolarHBondContact O-CE1 3.47Å; V67-Y72 PolarHBondContact O-OH 3.36Å; S69-Y72 PolarHBondContact O-N 3.17Å; Y72-Y74 PolarHBondContact O-N 2.77Å; Y72-Y74 VanDerWaalsContact O-N 3.14Å; Y72-I75 PolarHBondContact O-N 3.46Å; Y72-I75 VanDerWaalsContact O-N 3.11Å; Y72-I76 VanDerWaalsContact O-CG1 3.26Å; Y72-I76 WeakPolarHBondContact O-CG1 3.36Å; Y72-I76 PolarHBondContact O-N 2.82Å; Y72-I96 HydrophobicContact CD1-CG2 3.94Å; Y72-I96 HydrophobicContact CD2-CG2 3.81Å; Y72-I96 HydrophobicContact CE1-CG2 4.46Å; Y72-I96 HydrophobicContact CE2-CG2 4.37Å; Y72-I96 HydrophobicContact CG-CG2 3.59Å; Y72-P97 HydrophobicContact CE2-CB 3.91Å; Y72-P97 HydrophobicContact CE2-CG 4.14Å; Y72-I101 WeakPolarHBondContact CE2-O 3.45Å; Y72-G103 PolarHBondContact OH-N 3.01Å; Y72-G103 PolarHBondContact OH-O 2.91Å; Y72-I105 HydrophobicContact CD1-CD1 3.95Å; Y72-I105 HydrophobicContact CD1-CG1 4.37Å; Y72-I105 HydrophobicContact CE1-CD1 3.93Å; Y72-I105 HydrophobicContact CE1-CG1 3.94Å
73K92.6Very high94Very high64 Ų6446.7 Ų46.728%0.27823%0.23SC..Hα-helixtrans-58-30.3-179.666.4179.5-178.1170.30112.5L71 G77L71-K73 PolarHBondContact O-N 3.11Å; L71-K73 VanDerWaalsContact O-N 3.16Å; K73-G77 PolarHBondContact O-N 3.45Å
74Y92.6Very high94Very high37 Ų3754.1 Ų54.115%0.14526%0.257CS..Hα-helixtrans-80-32.9-179.4-59.8-66.9000112.3L71 Y72 F129L71-Y74 HydrophobicContact CB-CD2 4.49Å; L71-Y74 HydrophobicContact CD2-CD2 3.98Å; L71-Y74 HydrophobicContact CD2-CE2 4.03Å; L71-Y74 WeakPolarHBondContact O-CB 3.45Å; L71-Y74 PolarHBondContact O-N 2.99Å; Y72-Y74 PolarHBondContact O-N 2.77Å; Y72-Y74 VanDerWaalsContact O-N 3.14Å; Y74-F129 AromaticContact CD1-CD1 3.44Å; Y74-F129 HydrophobicContact CD1-CD1 3.44Å; Y74-F129 VanDerWaalsContact CD1-CD1 3.44Å; Y74-F129 HydrophobicContact CD1-CD2 4.3Å; Y74-F129 AromaticContact CD1-CE1 3.4Å; Y74-F129 HydrophobicContact CD1-CE1 3.4Å; Y74-F129 HydrophobicContact CD1-CE2 4.28Å; Y74-F129 AromaticContact CD1-CG 3.92Å; Y74-F129 HydrophobicContact CD1-CG 3.92Å; Y74-F129 AromaticContact CD1-CZ 3.85Å; Y74-F129 HydrophobicContact CD1-CZ 3.85Å; Y74-F129 HydrophobicContact CD2-CB 3.97Å; Y74-F129 HydrophobicContact CD2-CD1 4.15Å; Y74-F129 HydrophobicContact CD2-CD2 4.45Å; Y74-F129 AromaticContact CD2-CG 3.94Å; Y74-F129 HydrophobicContact CD2-CG 3.94Å; Y74-F129 AromaticContact CE1-CD1 3.75Å; Y74-F129 HydrophobicContact CE1-CD1 3.75Å; Y74-F129 AromaticContact CE1-CE1 3.89Å; Y74-F129 HydrophobicContact CE1-CE1 3.89Å; Y74-F129 HydrophobicContact CE1-CG 4.49Å; Y74-F129 HydrophobicContact CE2-CB 4.41Å; Y74-F129 HydrophobicContact CE2-CD1 4.45Å; Y74-F129 HydrophobicContact CG-CB 4.17Å; Y74-F129 AromaticContact CG-CD1 3.66Å; Y74-F129 HydrophobicContact CG-CD1 3.66Å; Y74-F129 AromaticContact CG-CD2 3.85Å; Y74-F129 HydrophobicContact CG-CD2 3.85Å; Y74-F129 AromaticContact CG-CE1 3.95Å; Y74-F129 HydrophobicContact CG-CE1 3.95Å; Y74-F129 HydrophobicContact CG-CE2 4.13Å; Y74-F129 AromaticContact CG-CG 3.61Å; Y74-F129 HydrophobicContact CG-CG 3.61Å; Y74-F129 HydrophobicContact CG-CZ 4.18Å
75I94.8Very high94.1Very high1 Ų160 Ų601%0.00527%0.274CS..Hα-helixtrans-71.8-40.1173.1-53.8169.1000110.3V67 L71 Y72 R83 L86 I96 I105 V122 L125 V126V67-I75 HydrophobicContact CG1-CD1 4.11Å; L71-I75 PolarHBondContact O-N 3.32Å; Y72-I75 PolarHBondContact O-N 3.46Å; Y72-I75 VanDerWaalsContact O-N 3.11Å; I75-R83 PolarHBondContact O-N 2.94Å; I75-R83 VanDerWaalsContact O-N 3.16Å; I75-L86 HydrophobicContact CG2-CD1 4.39Å; I75-I96 HydrophobicContact CB-CD1 4Å; I75-I96 HydrophobicContact CG2-CD1 3.63Å; I75-I105 HydrophobicContact CD1-CD1 3.36Å; I75-V122 HydrophobicContact CD1-CG1 3.95Å; I75-V122 HydrophobicContact CG1-CG1 4.48Å; I75-V122 HydrophobicContact CG2-CG1 4.47Å; I75-V122 HydrophobicContact CG2-CG2 4.42Å; I75-L125 HydrophobicContact CG1-CD2 4.42Å; I75-V126 HydrophobicContact CD1-CG2 3.71Å; I75-V126 HydrophobicContact CG1-CG2 4.11Å
76I95.1Very high94.2Very high46 Ų4660.3 Ų60.324%0.23628%0.276CS..Hα-helixtrans-64.7-48.4175.8-64.7165.3000109.9Y72 G80 E81 T82 R83 I96Y72-I76 VanDerWaalsContact O-CG1 3.26Å; Y72-I76 WeakPolarHBondContact O-CG1 3.36Å; Y72-I76 PolarHBondContact O-N 2.82Å; I76-G80 CarbonylContact O-C 3.41Å; I76-G80 WeakPolarHBondContact O-CA 3.47Å; I76-E81 PolarHBondContact O-N 3.14Å; I76-T82 PolarHBondContact O-N 3.22Å; I76-R83 PolarHBondContact O-N 3.24Å; I76-I96 HydrophobicContact CD1-CG2 4.37Å; I76-I96 HydrophobicContact CG1-CD1 3.66Å
77G93.9Very high94.5Very high18 Ų1856.4 Ų56.419%0.18625%0.254CS..  trans75.3175.1-176.600000113.6K73 K79 G80 T82K73-G77 PolarHBondContact O-N 3.45Å; G77-K79 PolarHBondContact O-N 2.99Å; G77-G80 PolarHBondContact O-N 3.32Å; G77-G80 VanDerWaalsContact O-N 3.1Å; G77-T82 WeakPolarHBondContact CA-OG1 3.12Å
78K93.8Very high94.7Very high171 Ų17164 Ų6474%0.74329%0.286SS*.G310 helixtrans-59.3124.4178.6-170176.2-179179.90109.3G80 E81K78-G80 PolarHBondContact O-N 2.91Å; K78-E81 VanDerWaalsContact O-CB 3.25Å; K78-E81 WeakPolarHBondContact O-CB 3.45Å; K78-E81 PolarHBondContact O-N 3.26Å
79K92.3Very high94.9Very high188 Ų18867.5 Ų67.582%0.81731%0.305SS*.G310 helixtrans52.522.1-176.7-60.6177.8177.4177.10114.7G77 E81G77-K79 PolarHBondContact O-N 2.99Å; K79-E81 VanDerWaalsContact C-N 3.35Å
80G94.1Very high95Very high8 Ų867.4 Ų67.48%0.08230%0.304CS..G310 helixtrans8010.5-178.700000115.2I76 G77 K78 R84I76-G80 CarbonylContact O-C 3.41Å; I76-G80 WeakPolarHBondContact O-CA 3.47Å; G77-G80 PolarHBondContact O-N 3.32Å; G77-G80 VanDerWaalsContact O-N 3.1Å; K78-G80 PolarHBondContact O-N 2.91Å; G80-R84 WeakPolarHBondContact O-CG 3.45Å; G80-R84 PolarHBondContact O-N 3.11Å; G80-R84 VanDerWaalsContact O-N 3.13Å
81E96.8Very high95.3Very high130 Ų13074.5 Ų74.561%0.60733%0.332SS*.Hα-helixtrans-61.9-47.6-173.9-179.2174.3-164.300112.9I76 K78 K79 R83 R84 R85I76-E81 PolarHBondContact O-N 3.14Å; K78-E81 VanDerWaalsContact O-CB 3.25Å; K78-E81 WeakPolarHBondContact O-CB 3.45Å; K78-E81 PolarHBondContact O-N 3.26Å; K79-E81 VanDerWaalsContact C-N 3.35Å; E81-R83 PolarHBondContact O-N 3.48Å; E81-R84 PolarHBondContact O-N 2.96Å; E81-R85 PolarHBondContact O-N 3.41Å
82T96.1Very high95.5Very high28 Ų2874.8 Ų74.817%0.17234%0.335CS..Hα-helixtrans-60.3-45.4-178.6-52.70000111.4I76 G77 R85 L86 L125I76-T82 PolarHBondContact O-N 3.22Å; G77-T82 WeakPolarHBondContact CA-OG1 3.12Å; T82-R85 PolarHBondContact O-N 2.78Å; T82-L86 HydrophobicContact CG2-CD1 4.31Å; T82-L86 WeakPolarHBondContact O-CG 3.4Å; T82-L86 PolarHBondContact O-N 2.89Å; T82-L125 HydrophobicContact CG2-CD2 3.78Å
83R97Very high95.6Very high76 Ų7677.7 Ų77.729%0.28736%0.355SS..Hα-helixtrans-61-47.3176.1-173.9-173.471.9-174.5-0.5111.6I75 I76 E81 R85 L86 E87 I94 I96I75-R83 PolarHBondContact O-N 2.94Å; I75-R83 VanDerWaalsContact O-N 3.16Å; I76-R83 PolarHBondContact O-N 3.24Å; E81-R83 PolarHBondContact O-N 3.48Å; R83-R85 VanDerWaalsContact C-N 3.3Å; R83-R85 PolarHBondContact O-N 3.28Å; R83-L86 WeakPolarHBondContact O-CB 3.36Å; R83-L86 PolarHBondContact O-N 3.19Å; R83-E87 HydrophobicContact CG-CG 4.31Å; R83-E87 IonicContact NE-OE2 2.65Å; R83-E87 VanDerWaalsContact O-CG 3.32Å; R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 3.33Å; R83-I94 HydrophobicContact CG-CB 4.18Å; R83-I96 HydrophobicContact CG-CD1 4.49Å
84R97.6Very high95.8Very high157 Ų15774.8 Ų74.859%0.59234%0.342SS*.Hα-helixtrans-60.9-40.1179.6-73.6178.7-170.9147.74112.1G80 E81 E87 F88G80-R84 WeakPolarHBondContact O-CG 3.45Å; G80-R84 PolarHBondContact O-N 3.11Å; G80-R84 VanDerWaalsContact O-N 3.13Å; E81-R84 PolarHBondContact O-N 2.96Å; R84-E87 PolarHBondContact O-N 3.37Å; R84-F88 VanDerWaalsContact O-CB 3.31Å; R84-F88 WeakPolarHBondContact O-CB 3.04Å; R84-F88 PolarHBondContact O-N 3.06Å
85R97.2Very high96Very high149 Ų14976.6 Ų76.656%0.56236%0.361SS*.Hα-helixtrans-63.2-46.6175.3-175.5178.3651802.1111.3E81 T82 R83 E87 F88 D89E81-R85 PolarHBondContact O-N 3.41Å; T82-R85 PolarHBondContact O-N 2.78Å; R83-R85 VanDerWaalsContact C-N 3.3Å; R83-R85 PolarHBondContact O-N 3.28Å; R85-E87 PolarHBondContact O-N 3.16Å; R85-F88 PolarHBondContact O-N 3.49Å; R85-D89 WeakPolarHBondContact O-CB 3.37Å; R85-D89 VanDerWaalsContact O-CG 3.27Å; R85-D89 PolarHBondContact O-N 3.38Å
86L96.8Very high96Very high13 Ų1377.7 Ų77.77%0.06837%0.366CS..Hα-helixtrans-58.5-46.6175.5-72.1170000111.7I75 T82 R83 T90 I94 R121 V122 L125I75-L86 HydrophobicContact CG2-CD1 4.39Å; T82-L86 HydrophobicContact CG2-CD1 4.31Å; T82-L86 WeakPolarHBondContact O-CG 3.4Å; T82-L86 PolarHBondContact O-N 2.89Å; R83-L86 WeakPolarHBondContact O-CB 3.36Å; R83-L86 PolarHBondContact O-N 3.19Å; L86-T90 WeakPolarHBondContact O-CB 3.45Å; L86-T90 WeakPolarHBondContact O-CG2 3.24Å; L86-T90 PolarHBondContact O-N 3.43Å; L86-T90 VanDerWaalsContact O-N 3.14Å; L86-T90 PolarHBondContact O-OG1 3.24Å; L86-I94 HydrophobicContact CB-CD1 3.69Å; L86-I94 HydrophobicContact CD1-CD1 4.3Å; L86-R121 HydrophobicContact CD2-CB 3.71Å; L86-V122 HydrophobicContact CD1-CG2 4.15Å; L86-L125 HydrophobicContact CD1-CD2 4.23Å
87E97.6Very high95.9Very high43 Ų4377 Ų7720%0.20137%0.365CS..Hα-helixtrans-62-41.8177.4-70.2179.2133.800112.1R83 R84 R85 K91 A92 I94R83-E87 HydrophobicContact CG-CG 4.31Å; R83-E87 IonicContact NE-OE2 2.65Å; R83-E87 VanDerWaalsContact O-CG 3.32Å; R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 3.33Å; R84-E87 PolarHBondContact O-N 3.37Å; R85-E87 PolarHBondContact O-N 3.16Å; E87-K91 VanDerWaalsContact O-CA 3.32Å; E87-K91 WeakPolarHBondContact O-CA 3.4Å; E87-K91 PolarHBondContact O-N 3.11Å; E87-A92 WeakPolarHBondContact CA-O 3.29Å; E87-A92 WeakPolarHBondContact CB-O 3.44Å; E87-A92 WeakPolarHBondContact CG-O 3.43Å; E87-A92 PolarHBondContact O-N 2.82Å; E87-I94 HydrophobicContact CG-CB 4.13Å; E87-I94 HydrophobicContact CG-CD1 4.09Å; E87-I94 HydrophobicContact CG-CG1 3.88Å; E87-I94 PolarHBondContact OE1-N 3.42Å
88F97Very high95.5Very high170 Ų17084.1 Ų84.175%0.74639%0.391SS*.Hα-helixtrans-65.2-51.6178.4179.3-97.5000112.4R84 R85 T90R84-F88 VanDerWaalsContact O-CB 3.31Å; R84-F88 WeakPolarHBondContact O-CB 3.04Å; R84-F88 PolarHBondContact O-N 3.06Å; R85-F88 PolarHBondContact O-N 3.49Å; F88-T90 VanDerWaalsContact C-N 3.32Å; F88-T90 PolarHBondContact O-N 2.94Å
89D96.1Very high94.8Very high77 Ų7782.4 Ų82.441%0.41239%0.385SS..Hα-helixtrans-67-35-174.8-67.2-9.4000112.6R85 R121R85-D89 WeakPolarHBondContact O-CB 3.37Å; R85-D89 VanDerWaalsContact O-CG 3.27Å; R85-D89 PolarHBondContact O-N 3.38Å; D89-R121 IonicContact OD2-NH1 3.63Å; D89-R121 PolarHBondContact OD2-NH1 3.38Å
90T95.9Very high93.8Very high7 Ų775 Ų754%0.04336%0.362CS..Hα-helixtrans-96-11.9-174.663.50000112.9L86 F88 A92 A114 A118L86-T90 WeakPolarHBondContact O-CB 3.45Å; L86-T90 WeakPolarHBondContact O-CG2 3.24Å; L86-T90 PolarHBondContact O-N 3.43Å; L86-T90 VanDerWaalsContact O-N 3.14Å; L86-T90 PolarHBondContact O-OG1 3.24Å; F88-T90 VanDerWaalsContact C-N 3.32Å; F88-T90 PolarHBondContact O-N 2.94Å; T90-A92 PolarHBondContact O-N 2.91Å; T90-A92 WeakPolarHBondContact OG1-CB 3.46Å; T90-A92 PolarHBondContact OG1-N 2.68Å; T90-A114 WeakPolarHBondContact O-CB 3.29Å; T90-A118 HydrophobicContact CG2-CB 4.08Å
91K95.9Very high93.4Very high181 Ų18179.4 Ų79.479%0.78738%0.383SS*.THydrogen-bonded Turntrans56.927.5-171.9-52.1174.3-177.6172.40112.8E87E87-K91 VanDerWaalsContact O-CA 3.32Å; E87-K91 WeakPolarHBondContact O-CA 3.4Å; E87-K91 PolarHBondContact O-N 3.11Å
92A96.9Very high93Very high7 Ų777.7 Ų77.76%0.05838%0.375CS..  trans-106.4160.4174.500000110.9E87 T90 I107 T108 A109 A118E87-A92 WeakPolarHBondContact CA-O 3.29Å; E87-A92 WeakPolarHBondContact CB-O 3.44Å; E87-A92 WeakPolarHBondContact CG-O 3.43Å; E87-A92 PolarHBondContact O-N 2.82Å; T90-A92 PolarHBondContact O-N 2.91Å; T90-A92 WeakPolarHBondContact OG1-CB 3.46Å; T90-A92 PolarHBondContact OG1-N 2.68Å; A92-I107 HydrophobicContact CB-CG2 4.04Å; A92-T108 CarbonylContact C-O 3.58Å; A92-T108 WeakPolarHBondContact CA-O 3.45Å; A92-A109 HydrophobicContact CB-CB 3.96Å; A92-A118 HydrophobicContact CB-CB 3.66Å
93S97.2Very high92.7Very high60 Ų6077.8 Ų77.842%0.4238%0.381SS..EExtended strand (participates in β ladder)trans-107.1133.9168.7-176.30000110I107 T108S93-I107 CarbonylContact O-C 3.09Å; S93-I107 WeakPolarHBondContact O-CA 3.39Å; S93-T108 PolarHBondContact N-O 3.47Å; S93-T108 PolarHBondContact O-N 2.85Å
94I97.2Very high92.6Very high3 Ų378.2 Ų78.22%0.01539%0.386CS..EExtended strand (participates in β ladder)trans-117105.7-174.5-55.5174.5000109R83 L86 E87 I96 I105 I107 V122R83-I94 HydrophobicContact CG-CB 4.18Å; L86-I94 HydrophobicContact CB-CD1 3.69Å; L86-I94 HydrophobicContact CD1-CD1 4.3Å; E87-I94 HydrophobicContact CG-CB 4.13Å; E87-I94 HydrophobicContact CG-CD1 4.09Å; E87-I94 HydrophobicContact CG-CG1 3.88Å; E87-I94 PolarHBondContact OE1-N 3.42Å; I94-I96 HydrophobicContact CG2-CD1 4.18Å; I94-I96 HydrophobicContact CG2-CG1 3.89Å; I94-I105 HydrophobicContact CG2-CG2 3.8Å; I94-I107 HydrophobicContact CG1-CG1 4.37Å; I94-I107 HydrophobicContact CG2-CG1 4.41Å; I94-V122 HydrophobicContact CD1-CG2 4.13Å
95S96.1Very high92.4Very high76 Ų7670.7 Ų70.753%0.53136%0.358SS..EExtended strand (participates in β ladder)trans-94.3114.5175.7-171.60000110.3I105 V106S95-I105 WeakPolarHBondContact O-CA 3.42Å; S95-V106 PolarHBondContact N-O 3.38Å; S95-V106 PolarHBondContact O-N 2.93Å
96I94.8Very high92.4Very high23 Ų2365.2 Ų65.212%0.11834%0.341CS..  trans-109.3131.7-178.8-55.1174.3000108.2Y72 I75 I76 R83 I94 I105Y72-I96 HydrophobicContact CD1-CG2 3.94Å; Y72-I96 HydrophobicContact CD2-CG2 3.81Å; Y72-I96 HydrophobicContact CE1-CG2 4.46Å; Y72-I96 HydrophobicContact CE2-CG2 4.37Å; Y72-I96 HydrophobicContact CG-CG2 3.59Å; I75-I96 HydrophobicContact CB-CD1 4Å; I75-I96 HydrophobicContact CG2-CD1 3.63Å; I76-I96 HydrophobicContact CD1-CG2 4.37Å; I76-I96 HydrophobicContact CG1-CD1 3.66Å; R83-I96 HydrophobicContact CG-CD1 4.49Å; I94-I96 HydrophobicContact CG2-CD1 4.18Å; I94-I96 HydrophobicContact CG2-CG1 3.89Å; I96-I105 HydrophobicContact CG1-CD1 4.37Å; I96-I105 HydrophobicContact CG1-CG1 4.4Å; I96-I105 HydrophobicContact CG1-CG2 4.11Å; I96-I105 HydrophobicContact CG2-CD1 4.4Å; I96-I105 HydrophobicContact CG2-CG1 4.31Å
97P93.3Very high92.4Very high32 Ų3264.6 Ų64.621%0.20834%0.338CS..PPolyproline II helixtrans-57162.9174.1-23.132.8000112.8Y72 Q99 Q104Y72-P97 HydrophobicContact CE2-CB 3.91Å; Y72-P97 HydrophobicContact CE2-CG 4.14Å; P97-Q99 PolarHBondContact O-N 2.98Å; P97-Q104 WeakPolarHBondContact CG-O 3.39Å
98K86.8Confident92.4Very high168 Ų16865.2 Ų65.273%0.7335%0.345SS*.PPolyproline II helixtrans-60142.6175.9-69.8-177.9179.8176.10110.2G100 I101K98-G100 PolarHBondContact O-N 3.38Å; K98-I101 HydrophobicContact CB-CD1 3.99Å; K98-I101 HydrophobicContact CB-CG1 4.29Å; K98-I101 HydrophobicContact CD-CD1 4.4Å; K98-I101 PolarHBondContact O-N 2.9Å
99Q77.6Confident92.4Very high134 Ų13457.7 Ų57.763%0.62631%0.314SS*.THydrogen-bonded Turntrans-57.4130.4-179.9-167.4173.61100111.4P97 I101P97-Q99 PolarHBondContact O-N 2.98Å; Q99-I101 VanDerWaalsContact C-N 3.31Å
100G72Confident92.4Very high33 Ų3357.7 Ų57.734%0.3433%0.325SS..THydrogen-bonded Turntrans82.41.6-178.700000115.4R17 K98R17-G100 PolarHBondContact NH1-O 3.08Å; K98-G100 PolarHBondContact O-N 3.38Å
101I85.8Confident92.4Very high100 Ų10063.8 Ų63.851%0.51335%0.353SS..SBendtrans-105.9122.7167.8-54.2-174.1000107.6Y72 K98 Q99Y72-I101 WeakPolarHBondContact CE2-O 3.45Å; K98-I101 HydrophobicContact CB-CD1 3.99Å; K98-I101 HydrophobicContact CB-CG1 4.29Å; K98-I101 HydrophobicContact CD-CD1 4.4Å; K98-I101 PolarHBondContact O-N 2.9Å; Q99-I101 VanDerWaalsContact C-N 3.31Å
102E88.7Confident92.3Very high95 Ų9559.6 Ų59.644%0.44433%0.334SS..  trans-66.3145.7173.3-65.3-61.8130.200110.4S69 N191S69-E102 WeakPolarHBondContact CB-OE1 3.43Å; S69-E102 PolarHBondContact N-OE1 2.88Å; S69-E102 PolarHBondContact OG-OE1 2.83Å; E102-N191 PolarHBondContact OE2-ND2 3.44Å
103G90.2Very high92.2Very high30 Ų3062.6 Ų62.631%0.30936%0.359SS..  trans171.1173178.600000111.6Y72Y72-G103 PolarHBondContact OH-N 3.01Å; Y72-G103 PolarHBondContact OH-O 2.91Å
104Q93.3Very high92.1Very high84 Ų8460.3 Ų60.339%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-83.4140.8177.7-70.5178.1-30.700111A64 I65 D66 P97A64-Q104 HydrophobicContact CB-CB 4.17Å; I65-Q104 WeakPolarHBondContact O-CA 3.29Å; D66-Q104 VanDerWaalsContact OD1-CG 3.28Å; D66-Q104 WeakPolarHBondContact OD1-CG 3.41Å; D66-Q104 PolarHBondContact OD2-NE2 3.2Å; D66-Q104 VanDerWaalsContact OD2-NE2 3.07Å; P97-Q104 WeakPolarHBondContact CG-O 3.39Å
105I95.2Very high92.1Very high0 Ų060.1 Ų60.10%034%0.343CS..EExtended strand (participates in β ladder)trans-78.4124.7164.2-61.3-179.9000106.8A64 I65 V67 Y72 I75 I94 S95 I96 I107A64-I105 WeakPolarHBondContact CA-O 3.43Å; I65-I105 HydrophobicContact CD1-CB 4.48Å; I65-I105 HydrophobicContact CG1-CB 3.89Å; I65-I105 HydrophobicContact CG1-CG2 4.43Å; I65-I105 PolarHBondContact N-O 2.82Å; I65-I105 PolarHBondContact O-N 2.92Å; V67-I105 HydrophobicContact CB-CD1 3.84Å; V67-I105 HydrophobicContact CB-CG1 4.43Å; V67-I105 HydrophobicContact CG1-CD1 4.26Å; V67-I105 HydrophobicContact CG2-CD1 3.91Å; Y72-I105 HydrophobicContact CD1-CD1 3.95Å; Y72-I105 HydrophobicContact CD1-CG1 4.37Å; Y72-I105 HydrophobicContact CE1-CD1 3.93Å; Y72-I105 HydrophobicContact CE1-CG1 3.94Å; I75-I105 HydrophobicContact CD1-CD1 3.36Å; I94-I105 HydrophobicContact CG2-CG2 3.8Å; S95-I105 WeakPolarHBondContact O-CA 3.42Å; I96-I105 HydrophobicContact CG1-CD1 4.37Å; I96-I105 HydrophobicContact CG1-CG1 4.4Å; I96-I105 HydrophobicContact CG1-CG2 4.11Å; I96-I105 HydrophobicContact CG2-CD1 4.4Å; I96-I105 HydrophobicContact CG2-CG1 4.31Å; I105-I107 HydrophobicContact CG2-CG1 4.3Å
106V96.8Very high92Very high34 Ų3457.5 Ų57.521%0.20633%0.325CS..EExtended strand (participates in β ladder)trans-106.8119-177.7-176.70000109R62 S95 T108R62-V106 HydrophobicContact CG-CG1 3.92Å; S95-V106 PolarHBondContact N-O 3.38Å; S95-V106 PolarHBondContact O-N 2.93Å; V106-T108 HydrophobicContact CG1-CG2 4.09Å
107I97.1Very high92.1Very high0 Ų058.7 Ų58.70%034%0.335CS..EExtended strand (participates in β ladder)trans-107.5128.8178.7-58.5178.7000108.1R62 C63 I65 A92 S93 I94 I105 V115 A118 V119 V122R62-I107 CarbonylContact C-O 3.56Å; R62-I107 WeakPolarHBondContact CA-O 3.45Å; C63-I107 PolarHBondContact N-O 3.45Å; C63-I107 PolarHBondContact O-N 2.81Å; I65-I107 HydrophobicContact CD1-CD1 4.16Å; A92-I107 HydrophobicContact CB-CG2 4.04Å; S93-I107 CarbonylContact O-C 3.09Å; S93-I107 WeakPolarHBondContact O-CA 3.39Å; I94-I107 HydrophobicContact CG1-CG1 4.37Å; I94-I107 HydrophobicContact CG2-CG1 4.41Å; I105-I107 HydrophobicContact CG2-CG1 4.3Å; I107-V115 HydrophobicContact CG2-CG1 4.16Å; I107-A118 HydrophobicContact CD1-CB 4.47Å; I107-A118 HydrophobicContact CG2-CB 3.68Å; I107-V119 HydrophobicContact CD1-CB 4.46Å; I107-V119 HydrophobicContact CD1-CG2 3.78Å; I107-V122 HydrophobicContact CD1-CG2 4.2Å
108T97.2Very high92.2Very high55 Ų5557.1 Ų57.134%0.33733%0.325SS..EExtended strand (participates in β ladder)trans-133.8142.2-178.957.10000111.4Y61 R62 A92 S93 V106Y61-T108 VanDerWaalsContact O-CA 3.26Å; Y61-T108 WeakPolarHBondContact O-CA 3.3Å; R62-T108 HydrophobicContact CB-CG2 4.09Å; R62-T108 HydrophobicContact CG-CG2 4.05Å; A92-T108 CarbonylContact C-O 3.58Å; A92-T108 WeakPolarHBondContact CA-O 3.45Å; S93-T108 PolarHBondContact N-O 3.47Å; S93-T108 PolarHBondContact O-N 2.85Å; V106-T108 HydrophobicContact CG1-CG2 4.09Å
109A97.1Very high92.7Very high12 Ų1249.4 Ų49.410%0.09929%0.292CS..EExtended strand (participates in β ladder)trans-156.5163.3174.500000111.3Y61 A92 Q111 A114 V115Y61-A109 PolarHBondContact N-O 3.41Å; Y61-A109 PolarHBondContact O-N 2.91Å; A92-A109 HydrophobicContact CB-CB 3.96Å; A109-Q111 VanDerWaalsContact C-N 3.29Å; A109-Q111 PolarHBondContact O-N 2.96Å; A109-A114 HydrophobicContact CB-CB 3.58Å; A109-V115 HydrophobicContact CB-CG2 3.63Å
110A95.5Very high93.5Very high78 Ų7846.4 Ų46.465%0.64528%0.283SS*.SBendtrans-68-28.2177.700000113.2Y61Y61-A110 WeakPolarHBondContact CD2-O 3.39Å; Y61-A110 WeakPolarHBondContact CE2-O 3.43Å
111Q94.9Very high94.6Very high135 Ų13549.6 Ų49.663%0.63129%0.285SS*.SBendtrans-117.5141.5-177.8-65.7-176.9-18.100110.9Y61 A109 A113 A114 V115Y61-Q111 VanDerWaalsContact CD2-C 3.48Å; A109-Q111 VanDerWaalsContact C-N 3.29Å; A109-Q111 PolarHBondContact O-N 2.96Å; Q111-A113 VanDerWaalsContact C-N 3.3Å; Q111-A113 PolarHBondContact O-N 2.88Å; Q111-A114 HydrophobicContact CB-CB 4.42Å; Q111-A114 WeakPolarHBondContact O-CB 3.37Å; Q111-A114 PolarHBondContact O-N 3.32Å; Q111-A114 VanDerWaalsContact O-N 3.17Å; Q111-V115 PolarHBondContact O-N 3.43Å
112K94.7Very high95.1Very high92 Ų9244.8 Ų44.840%0.426%0.26SS..Hα-helixtrans-56.7-43.6177.4-170.4-174.9174.3-161.80111.7D50 I54 Y61 A114 V115 S116D50-K112 VanDerWaalsContact OD2-CE 3.25Å; D50-K112 WeakPolarHBondContact OD2-CE 3.47Å; D50-K112 IonicContact OD2-NZ 3.69Å; D50-K112 PolarHBondContact OD2-NZ 2.76Å; I54-K112 HydrophobicContact CB-CG 4.38Å; I54-K112 HydrophobicContact CD1-CG 3.96Å; I54-K112 HydrophobicContact CG2-CG 4.03Å; Y61-K112 HydrophobicContact CD1-CB 3.89Å; Y61-K112 HydrophobicContact CD1-CG 4.21Å; Y61-K112 HydrophobicContact CD2-CB 4.22Å; Y61-K112 HydrophobicContact CE1-CB 3.9Å; Y61-K112 HydrophobicContact CE1-CG 4.4Å; Y61-K112 HydrophobicContact CE2-CB 4.24Å; Y61-K112 HydrophobicContact CG-CB 4.04Å; K112-A114 VanDerWaalsContact C-N 3.28Å; K112-A114 PolarHBondContact O-N 3.25Å; K112-V115 PolarHBondContact O-N 3.05Å; K112-V115 VanDerWaalsContact O-N 3.14Å; K112-S116 PolarHBondContact O-N 3.01Å
113A94.7Very high95.4Very high70 Ų7043.6 Ų43.658%0.57926%0.255SS*.Hα-helixtrans-59.4-35.7179.200000113.4Q111 S116 S117Q111-A113 VanDerWaalsContact C-N 3.3Å; Q111-A113 PolarHBondContact O-N 2.88Å; A113-S116 PolarHBondContact O-N 2.79Å; A113-S117 WeakPolarHBondContact O-CB 3.38Å; A113-S117 PolarHBondContact O-N 3.29Å
114A95.7Very high95.6Very high12 Ų1246.5 Ų46.510%0.09927%0.266CS..Hα-helixtrans-67.9-41.1176.700000111.9T90 A109 Q111 K112 A118T90-A114 WeakPolarHBondContact O-CB 3.29Å; A109-A114 HydrophobicContact CB-CB 3.58Å; Q111-A114 HydrophobicContact CB-CB 4.42Å; Q111-A114 WeakPolarHBondContact O-CB 3.37Å; Q111-A114 PolarHBondContact O-N 3.32Å; Q111-A114 VanDerWaalsContact O-N 3.17Å; K112-A114 VanDerWaalsContact C-N 3.28Å; K112-A114 PolarHBondContact O-N 3.25Å; A114-A118 WeakPolarHBondContact O-CB 3.41Å; A114-A118 PolarHBondContact O-N 3.46Å
115V96.3Very high95.6Very high0 Ų044 Ų440%026%0.255CS..Hα-helixtrans-62.8-49173.4179.40000110.4I54 C63 I107 A109 Q111 K112 S117 A118 V119I54-V115 HydrophobicContact CD1-CB 4.35Å; I54-V115 HydrophobicContact CD1-CG1 4.16Å; I54-V115 HydrophobicContact CG1-CG1 4.23Å; I54-V115 HydrophobicContact CG2-CB 4.32Å; I54-V115 HydrophobicContact CG2-CG1 4.09Å; C63-V115 HydrophobicContact CB-CG1 3.39Å; I107-V115 HydrophobicContact CG2-CG1 4.16Å; A109-V115 HydrophobicContact CB-CG2 3.63Å; Q111-V115 PolarHBondContact O-N 3.43Å; K112-V115 PolarHBondContact O-N 3.05Å; K112-V115 VanDerWaalsContact O-N 3.14Å; V115-S117 PolarHBondContact O-N 2.95Å; V115-A118 PolarHBondContact O-N 2.59Å; V115-V119 HydrophobicContact CG1-CG2 4.23Å; V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.19Å; V115-V119 PolarHBondContact O-N 2.63Å
116S95.4Very high95.5Very high21 Ų2144.9 Ų44.915%0.14726%0.261CS..Hα-helixtrans-56.7-48.8178.8-1660000111.6K112 A113 A118 V119 T120K112-S116 PolarHBondContact O-N 3.01Å; A113-S116 PolarHBondContact O-N 2.79Å; S116-A118 VanDerWaalsContact C-N 3.33Å; S116-A118 PolarHBondContact O-N 3.17Å; S116-V119 PolarHBondContact O-N 2.87Å; S116-T120 PolarHBondContact O-N 2.89Å; S116-T120 PolarHBondContact O-OG1 3.35Å; S116-T120 VanDerWaalsContact O-OG1 3.07Å
117S95.8Very high95.3Very high47 Ų4748 Ų4833%0.32927%0.273SS..Hα-helixtrans-61.3-40.4178.8-169.50000112.5A113 V115 R121A113-S117 WeakPolarHBondContact O-CB 3.38Å; A113-S117 PolarHBondContact O-N 3.29Å; V115-S117 PolarHBondContact O-N 2.95Å; S117-R121 WeakPolarHBondContact O-CG 3.4Å; S117-R121 PolarHBondContact O-N 3.5Å; S117-R121 VanDerWaalsContact O-N 3.1Å
118A96.6Very high95Very high0 Ų050.2 Ų50.20%029%0.288CS..Hα-helixtrans-67-41.4176.500000112.9T90 A92 I107 A114 V115 S116 R121 V122T90-A118 HydrophobicContact CG2-CB 4.08Å; A92-A118 HydrophobicContact CB-CB 3.66Å; I107-A118 HydrophobicContact CD1-CB 4.47Å; I107-A118 HydrophobicContact CG2-CB 3.68Å; A114-A118 WeakPolarHBondContact O-CB 3.41Å; A114-A118 PolarHBondContact O-N 3.46Å; V115-A118 PolarHBondContact O-N 2.59Å; S116-A118 VanDerWaalsContact C-N 3.33Å; S116-A118 PolarHBondContact O-N 3.17Å; A118-R121 PolarHBondContact O-N 3.38Å; A118-V122 WeakPolarHBondContact O-CB 3.25Å; A118-V122 VanDerWaalsContact O-CG2 3.28Å; A118-V122 WeakPolarHBondContact O-CG2 3.25Å; A118-V122 PolarHBondContact O-N 3.38Å
119V96.1Very high94.7Very high5 Ų549.4 Ų49.43%0.0328%0.28CS..Hα-helixtrans-58.3-54.9175170.90000109.8H52 C63 I65 I107 V115 S116 R121 V122 E123H52-V119 VanDerWaalsContact CD2-CG1 3.48Å; H52-V119 WeakPolarHBondContact CD2-CG1 3.35Å; C63-V119 HydrophobicContact CB-CG2 3.9Å; I65-V119 HydrophobicContact CG2-CG1 4.26Å; I107-V119 HydrophobicContact CD1-CB 4.46Å; I107-V119 HydrophobicContact CD1-CG2 3.78Å; V115-V119 HydrophobicContact CG1-CG2 4.23Å; V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.19Å; V115-V119 PolarHBondContact O-N 2.63Å; S116-V119 PolarHBondContact O-N 2.87Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 2.83Å; V119-V122 PolarHBondContact O-N 3.3Å; V119-E123 HydrophobicContact CG1-CG 4.32Å; V119-E123 WeakPolarHBondContact O-CG 3.36Å; V119-E123 PolarHBondContact O-N 2.94Å
120T95Very high94.4Very high72 Ų7252 Ų5244%0.44229%0.287SS..Hα-helixtrans-56.5-44.1-179.3-52.90000112.1S116 V122 E123 V124S116-T120 PolarHBondContact O-N 2.89Å; S116-T120 PolarHBondContact O-OG1 3.35Å; S116-T120 VanDerWaalsContact O-OG1 3.07Å; T120-V122 PolarHBondContact O-N 3.04Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-V124 WeakPolarHBondContact O-CG2 3.31Å; T120-V124 PolarHBondContact O-N 3.02Å
121R95.6Very high94.1Very high99 Ų9955 Ų5537%0.37429%0.286SS..Hα-helixtrans-66.7-36.4178.4-70.8-178.2-174.4-149.83.8112.9L86 D89 S117 A118 V119 L125L86-R121 HydrophobicContact CD2-CB 3.71Å; D89-R121 IonicContact OD2-NH1 3.63Å; D89-R121 PolarHBondContact OD2-NH1 3.38Å; S117-R121 WeakPolarHBondContact O-CG 3.4Å; S117-R121 PolarHBondContact O-N 3.5Å; S117-R121 VanDerWaalsContact O-N 3.1Å; A118-R121 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 2.83Å; R121-L125 WeakPolarHBondContact O-CB 3.17Å; R121-L125 PolarHBondContact O-N 2.87Å; R121-L125 VanDerWaalsContact O-N 3.17Å
122V96Very high93.8Very high0 Ų055.4 Ų55.40%029%0.285CS..Hα-helixtrans-67.6-41.3174.8170.70000110.6I65 I75 L86 I94 I107 A118 V119 T120 L125 V126I65-V122 HydrophobicContact CD1-CB 4.36Å; I65-V122 HydrophobicContact CD1-CG1 3.72Å; I75-V122 HydrophobicContact CD1-CG1 3.95Å; I75-V122 HydrophobicContact CG1-CG1 4.48Å; I75-V122 HydrophobicContact CG2-CG1 4.47Å; I75-V122 HydrophobicContact CG2-CG2 4.42Å; L86-V122 HydrophobicContact CD1-CG2 4.15Å; I94-V122 HydrophobicContact CD1-CG2 4.13Å; I107-V122 HydrophobicContact CD1-CG2 4.2Å; A118-V122 WeakPolarHBondContact O-CB 3.25Å; A118-V122 VanDerWaalsContact O-CG2 3.28Å; A118-V122 WeakPolarHBondContact O-CG2 3.25Å; A118-V122 PolarHBondContact O-N 3.38Å; V119-V122 PolarHBondContact O-N 3.3Å; T120-V122 PolarHBondContact O-N 3.04Å; V122-L125 WeakPolarHBondContact O-CB 3.06Å; V122-L125 PolarHBondContact O-N 3.44Å; V122-V126 HydrophobicContact CG1-CG2 4.22Å; V122-V126 WeakPolarHBondContact O-CB 3.3Å; V122-V126 VanDerWaalsContact O-CG2 3.28Å; V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3Å
123E94Very high93.5Very high70 Ų7053.2 Ų53.233%0.32728%0.277SS..Hα-helixtrans-63-48.8177.8-71.9-174.512000112.5H52 V119 T120 L125 V126 E127H52-E123 IonicContact CD2-OE1 3.71Å; H52-E123 IonicContact CD2-OE2 2.82Å; H52-E123 IonicContact CE1-OE1 3.97Å; H52-E123 VanDerWaalsContact NE2-CD 3.34Å; H52-E123 IonicContact NE2-OE1 3.79Å; H52-E123 PolarHBondContact NE2-OE1 3.1Å; H52-E123 IonicContact NE2-OE2 3.97Å; V119-E123 HydrophobicContact CG1-CG 4.32Å; V119-E123 WeakPolarHBondContact O-CG 3.36Å; V119-E123 PolarHBondContact O-N 2.94Å; T120-E123 PolarHBondContact O-N 3.31Å; E123-L125 PolarHBondContact O-N 3.07Å; E123-V126 PolarHBondContact O-N 3.37Å; E123-V126 VanDerWaalsContact O-N 3.13Å; E123-E127 WeakPolarHBondContact O-CB 3.26Å; E123-E127 PolarHBondContact O-N 3.27Å
124V94Very high93.3Very high90 Ų9053.7 Ų53.755%0.54527%0.274SS..Hα-helixtrans-56.5-42.5175.7170.50000110.5T120 S128T120-V124 WeakPolarHBondContact O-CG2 3.31Å; T120-V124 PolarHBondContact O-N 3.02Å; V124-S128 WeakPolarHBondContact O-CB 3.46Å; V124-S128 PolarHBondContact O-N 2.88Å
125L94.4Very high93.3Very high32 Ų3256.3 Ų56.317%0.16828%0.283CS..Hα-helixtrans-63.3-49.8177-168.167.5000111.1I75 T82 L86 R121 V122 E123 E127 S128 F129I75-L125 HydrophobicContact CG1-CD2 4.42Å; T82-L125 HydrophobicContact CG2-CD2 3.78Å; L86-L125 HydrophobicContact CD1-CD2 4.23Å; R121-L125 WeakPolarHBondContact O-CB 3.17Å; R121-L125 PolarHBondContact O-N 2.87Å; R121-L125 VanDerWaalsContact O-N 3.17Å; V122-L125 WeakPolarHBondContact O-CB 3.06Å; V122-L125 PolarHBondContact O-N 3.44Å; E123-L125 PolarHBondContact O-N 3.07Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 3.15Å; L125-S128 PolarHBondContact O-N 3.35Å; L125-S128 PolarHBondContact O-OG 3.49Å; L125-F129 HydrophobicContact CD1-CD2 4.12Å; L125-F129 HydrophobicContact CD1-CE2 3.49Å; L125-F129 VanDerWaalsContact CD1-CE2 3.49Å; L125-F129 HydrophobicContact CD1-CZ 4.47Å; L125-F129 HydrophobicContact CG-CD2 3.99Å; L125-F129 HydrophobicContact CG-CE2 3.74Å; L125-F129 WeakPolarHBondContact O-CD2 3.43Å; L125-F129 PolarHBondContact O-N 3.17Å; L125-F129 VanDerWaalsContact O-N 3.13Å
126V93.4Very high93.3Very high19 Ų1956.8 Ų56.812%0.11529%0.286CS..Hα-helixtrans-57.5-45.6178162.30000111.3V67 L71 I75 V122 E123 F129 R130V67-V126 HydrophobicContact CG1-CG1 4.4Å; V67-V126 HydrophobicContact CG1-CG2 3.87Å; V67-V126 HydrophobicContact CG2-CG2 4.24Å; L71-V126 HydrophobicContact CD1-CG1 3.81Å; I75-V126 HydrophobicContact CD1-CG2 3.71Å; I75-V126 HydrophobicContact CG1-CG2 4.11Å; V122-V126 HydrophobicContact CG1-CG2 4.22Å; V122-V126 WeakPolarHBondContact O-CB 3.3Å; V122-V126 VanDerWaalsContact O-CG2 3.28Å; V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3Å; E123-V126 PolarHBondContact O-N 3.37Å; E123-V126 VanDerWaalsContact O-N 3.13Å; V126-F129 PolarHBondContact O-N 3.26Å; V126-R130 WeakPolarHBondContact O-CB 3.33Å; V126-R130 PolarHBondContact O-N 3.4Å
127E91.1Very high93.4Very high100 Ų10055.9 Ų55.947%0.46728%0.279SS..Hα-helixtrans-63.1-44.5179.2-164.8-169.2158.100111.2E123 L125 F129 R130 K131E123-E127 WeakPolarHBondContact O-CB 3.26Å; E123-E127 PolarHBondContact O-N 3.27Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 3.15Å; E127-F129 VanDerWaalsContact C-N 3.27Å; E127-F129 PolarHBondContact O-N 3.46Å; E127-R130 PolarHBondContact O-N 2.92Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 2.88Å; E127-K131 WeakPolarHBondContact OE1-CE 3.27Å; E127-K131 IonicContact OE1-NZ 3.3Å; E127-K131 PolarHBondContact OE1-NZ 3.19Å
128S91.7Very high93.5Very high45 Ų4554 Ų5432%0.31527%0.265SS..Hα-helixtrans-59.5-37.7177.580.10000112.5V124 L125 K132V124-S128 WeakPolarHBondContact O-CB 3.46Å; V124-S128 PolarHBondContact O-N 2.88Å; L125-S128 PolarHBondContact O-N 3.35Å; L125-S128 PolarHBondContact O-OG 3.49Å; S128-K132 WeakPolarHBondContact O-CG 3.4Å
129F91.8Very high93.6Very high38 Ų3854 Ų5417%0.16727%0.265CS..Hα-helixtrans-81.2-29.4177.4-74.5-66.9000113L71 Y74 L125 V126 E127 K132 Q133L71-F129 HydrophobicContact CD2-CB 4.4Å; Y74-F129 AromaticContact CD1-CD1 3.44Å; Y74-F129 HydrophobicContact CD1-CD1 3.44Å; Y74-F129 VanDerWaalsContact CD1-CD1 3.44Å; Y74-F129 HydrophobicContact CD1-CD2 4.3Å; Y74-F129 AromaticContact CD1-CE1 3.4Å; Y74-F129 HydrophobicContact CD1-CE1 3.4Å; Y74-F129 HydrophobicContact CD1-CE2 4.28Å; Y74-F129 AromaticContact CD1-CG 3.92Å; Y74-F129 HydrophobicContact CD1-CG 3.92Å; Y74-F129 AromaticContact CD1-CZ 3.85Å; Y74-F129 HydrophobicContact CD1-CZ 3.85Å; Y74-F129 HydrophobicContact CD2-CB 3.97Å; Y74-F129 HydrophobicContact CD2-CD1 4.15Å; Y74-F129 HydrophobicContact CD2-CD2 4.45Å; Y74-F129 AromaticContact CD2-CG 3.94Å; Y74-F129 HydrophobicContact CD2-CG 3.94Å; Y74-F129 AromaticContact CE1-CD1 3.75Å; Y74-F129 HydrophobicContact CE1-CD1 3.75Å; Y74-F129 AromaticContact CE1-CE1 3.89Å; Y74-F129 HydrophobicContact CE1-CE1 3.89Å; Y74-F129 HydrophobicContact CE1-CG 4.49Å; Y74-F129 HydrophobicContact CE2-CB 4.41Å; Y74-F129 HydrophobicContact CE2-CD1 4.45Å; Y74-F129 HydrophobicContact CG-CB 4.17Å; Y74-F129 AromaticContact CG-CD1 3.66Å; Y74-F129 HydrophobicContact CG-CD1 3.66Å; Y74-F129 AromaticContact CG-CD2 3.85Å; Y74-F129 HydrophobicContact CG-CD2 3.85Å; Y74-F129 AromaticContact CG-CE1 3.95Å; Y74-F129 HydrophobicContact CG-CE1 3.95Å; Y74-F129 HydrophobicContact CG-CE2 4.13Å; Y74-F129 AromaticContact CG-CG 3.61Å; Y74-F129 HydrophobicContact CG-CG 3.61Å; Y74-F129 HydrophobicContact CG-CZ 4.18Å; L125-F129 HydrophobicContact CD1-CD2 4.12Å; L125-F129 HydrophobicContact CD1-CE2 3.49Å; L125-F129 VanDerWaalsContact CD1-CE2 3.49Å; L125-F129 HydrophobicContact CD1-CZ 4.47Å; L125-F129 HydrophobicContact CG-CD2 3.99Å; L125-F129 HydrophobicContact CG-CE2 3.74Å; L125-F129 WeakPolarHBondContact O-CD2 3.43Å; L125-F129 PolarHBondContact O-N 3.17Å; L125-F129 VanDerWaalsContact O-N 3.13Å; V126-F129 PolarHBondContact O-N 3.26Å; E127-F129 VanDerWaalsContact C-N 3.27Å; E127-F129 PolarHBondContact O-N 3.46Å; F129-K132 PolarHBondContact O-N 3.42Å; F129-Q133 WeakPolarHBondContact O-CG 3.31Å; F129-Q133 PolarHBondContact O-N 2.65Å; F129-Q133 PolarHBondContact O-NE2 3.22Å
130R90.8Very high93.7Very high68 Ų6853.8 Ų53.826%0.25726%0.264SS..Hα-helixtrans-63.6-45.1172.5-176.7-179.7-69-954.6110.9V126 E127 K132 Q133 A188 E194V126-R130 WeakPolarHBondContact O-CB 3.33Å; V126-R130 PolarHBondContact O-N 3.4Å; E127-R130 PolarHBondContact O-N 2.92Å; R130-K132 PolarHBondContact O-N 2.83Å; R130-K132 VanDerWaalsContact O-N 3.14Å; R130-Q133 WeakPolarHBondContact O-CB 3.43Å; R130-Q133 PolarHBondContact O-N 2.93Å; R130-A188 PolarHBondContact NH1-O 3Å; R130-E194 IonicContact CZ-OE1 3.99Å; R130-E194 IonicContact CZ-OE2 3.74Å; R130-E194 IonicContact NH1-OE1 3.57Å; R130-E194 PolarHBondContact NH1-OE1 2.91Å; R130-E194 IonicContact NH1-OE2 2.66Å; R130-E194 PolarHBondContact NH1-OE2 2.79Å; R130-E194 IonicContact NH2-OE1 2.73Å; R130-E194 PolarHBondContact NH2-OE1 2.74Å; R130-E194 IonicContact NH2-OE2 2.71Å
131K87.8Confident93.9Very high140 Ų14050.3 Ų50.361%0.60924%0.243SC*.Hα-helixtrans-57.6-26.7175.9-73.4175.8-178.2166.80112.9E127E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 2.88Å; E127-K131 WeakPolarHBondContact OE1-CE 3.27Å; E127-K131 IonicContact OE1-NZ 3.3Å; E127-K131 PolarHBondContact OE1-NZ 3.19Å
132K88.3Confident94Very high144 Ų14446 Ų4663%0.62623%0.228SC*.THydrogen-bonded Turntrans-87-10.2176.2-63.8176.1-177.3-175.40113.8S128 F129 R130S128-K132 WeakPolarHBondContact O-CG 3.4Å; F129-K132 PolarHBondContact O-N 3.42Å; R130-K132 PolarHBondContact O-N 2.83Å; R130-K132 VanDerWaalsContact O-N 3.14Å
133Q89Confident94.1Very high46 Ų4646.2 Ų46.222%0.21523%0.228CC..SBendtrans-75138.4177.2-62-46.4-6700110.1L71 F129 R130 A188 L190L71-Q133 HydrophobicContact CD2-CG 4.29Å; F129-Q133 WeakPolarHBondContact O-CG 3.31Å; F129-Q133 PolarHBondContact O-N 2.65Å; F129-Q133 PolarHBondContact O-NE2 3.22Å; R130-Q133 WeakPolarHBondContact O-CB 3.43Å; R130-Q133 PolarHBondContact O-N 2.93Å; Q133-A188 HydrophobicContact CB-CB 4.44Å; Q133-L190 HydrophobicContact CB-CD2 4.29Å; Q133-L190 HydrophobicContact CG-CD1 4.23Å; Q133-L190 HydrophobicContact CG-CD2 4.19Å
134P91.7Very high94.2Very high79 Ų7944.6 Ų44.651%0.51322%0.222SC..PPolyproline II helixtrans-63.5143.4169.728.7-33.8000109.6T136P134-T136 PolarHBondContact O-N 3.13Å
135F94.8Very high94.4Very high67 Ų6743 Ų4329%0.29421%0.21SC..PPolyproline II helixtrans-58.8141.517273.3-90000110.9F138 T186 L187 R336F135-F138 HydrophobicContact CE2-CD1 4.23Å; F135-T186 HydrophobicContact CD1-CG2 4.2Å; F135-T186 HydrophobicContact CD2-CG2 4.19Å; F135-T186 HydrophobicContact CE1-CG2 4.46Å; F135-T186 HydrophobicContact CE2-CG2 4.43Å; F135-T186 HydrophobicContact CG-CG2 4.07Å; F135-L187 CarbonylContact C-O 3.59Å; F135-L187 WeakPolarHBondContact CA-O 3.4Å; F135-R336 HydrophobicContact CD2-CG 4.49Å; F135-R336 VanDerWaalsContact CE1-NH1 3.26Å; F135-R336 HydrophobicContact CE2-CB 4.24Å; F135-R336 HydrophobicContact CE2-CG 3.86Å; F135-R336 HydrophobicContact CZ-CG 4.4Å; F135-R336 VanDerWaalsContact CZ-CZ 3.48Å; F135-R336 VanDerWaalsContact O-CD 3.3Å; F135-R336 WeakPolarHBondContact O-CD 3.32Å; F135-R336 PolarHBondContact O-NH1 3.21Å; F135-R336 VanDerWaalsContact O-NH1 3.17Å
136T96.1Very high94.6Very high10 Ų1044.8 Ų44.86%0.06123%0.226CC..  trans-108.3-27.6-178.659.90000111.7V3 P134 L187 L189 R336V3-T136 HydrophobicContact CB-CG2 3.93Å; V3-T136 HydrophobicContact CG1-CG2 4.31Å; V3-T136 HydrophobicContact CG2-CG2 3.62Å; P134-T136 PolarHBondContact O-N 3.13Å; T136-L187 PolarHBondContact N-O 3.49Å; T136-L187 PolarHBondContact OG1-O 2.98Å; T136-L189 PolarHBondContact OG1-N 2.94Å; T136-L189 PolarHBondContact OG1-O 3.28Å; T136-R336 VanDerWaalsContact O-CB 3.25Å; T136-R336 WeakPolarHBondContact O-CB 3.42Å; T136-R336 PolarHBondContact O-N 3.02Å
137H98Very high94.8Very high3 Ų350 Ų501%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-135.3165.4179.6-61.474.6000110.2L187 L189 L333 S334H137-L187 HydrophobicContact CB-CB 4.4Å; H137-L187 PolarHBondContact N-O 3.41Å; H137-L187 PolarHBondContact O-N 2.76Å; H137-L189 HydrophobicContact CB-CD1 3.96Å; H137-L189 HydrophobicContact CB-CG 4.38Å; H137-L333 HydrophobicContact CB-CD1 3.89Å; H137-L333 HydrophobicContact CB-CG 4.43Å; H137-S334 CarbonylContact C-O 3.56Å; H137-S334 WeakPolarHBondContact CA-O 3.25Å; H137-S334 WeakPolarHBondContact CB-O 3.49Å
138F98.1Very high95.2Very high7 Ų745.3 Ų45.33%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-152148.917457.8-77.8000109.7F135 H181 T183 G185 T186 S334 Y345F135-F138 HydrophobicContact CE2-CD1 4.23Å; F138-H181 AromaticContact CE2-CD2 3.56Å; F138-H181 AromaticContact CE2-NE2 3.46Å; F138-H181 WeakPolarHBondContact CE2-NE2 3.47Å; F138-T183 HydrophobicContact CB-CG2 4.37Å; F138-T183 HydrophobicContact CD2-CG2 4.41Å; F138-G185 CarbonylContact C-O 3.52Å; F138-G185 WeakPolarHBondContact CA-O 3.26Å; F138-G185 WeakPolarHBondContact CB-O 3.47Å; F138-T186 HydrophobicContact CB-CG2 4.45Å; F138-S334 VanDerWaalsContact CZ-CB 3.43Å; F138-S334 PolarHBondContact N-O 3.27Å; F138-S334 PolarHBondContact O-N 2.86Å; F138-Y345 HydrophobicContact CE1-CD1 4.08Å; F138-Y345 HydrophobicContact CE1-CE1 4.25Å; F138-Y345 HydrophobicContact CE1-CG 4.31Å; F138-Y345 HydrophobicContact CE2-CD2 4.45Å; F138-Y345 HydrophobicContact CE2-CE2 4.49Å; F138-Y345 AromaticContact CZ-CD1 3.84Å; F138-Y345 HydrophobicContact CZ-CD1 3.84Å; F138-Y345 AromaticContact CZ-CD2 3.73Å; F138-Y345 HydrophobicContact CZ-CD2 3.73Å; F138-Y345 AromaticContact CZ-CE1 3.95Å; F138-Y345 HydrophobicContact CZ-CE1 3.95Å; F138-Y345 AromaticContact CZ-CE2 3.84Å; F138-Y345 HydrophobicContact CZ-CE2 3.84Å; F138-Y345 AromaticContact CZ-CG 3.72Å; F138-Y345 HydrophobicContact CZ-CG 3.72Å; F138-Y345 AromaticContact CZ-CZ 3.94Å
139L98.4Very high95.5Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-77.6130.5167.4-69178.4000108.7I184 G185 L187 L202 L258 F262 M268 Q332 L333L139-I184 HydrophobicContact CB-CB 3.9Å; L139-I184 HydrophobicContact CB-CG2 4.47Å; L139-I184 PolarHBondContact O-N 3.37Å; L139-G185 PolarHBondContact N-O 3.08Å; L139-L187 HydrophobicContact CG-CD1 4.31Å; L139-L202 HydrophobicContact CD2-CD1 3.98Å; L139-L202 HydrophobicContact CD2-CD2 4.49Å; L139-L258 HydrophobicContact CD1-CB 4.26Å; L139-L258 HydrophobicContact CD1-CD2 4.44Å; L139-F262 HydrophobicContact CD1-CD1 4.45Å; L139-F262 HydrophobicContact CD1-CD2 3.68Å; L139-F262 HydrophobicContact CD1-CE1 4.48Å; L139-F262 HydrophobicContact CD1-CE2 3.73Å; L139-F262 HydrophobicContact CD1-CG 4.05Å; L139-F262 HydrophobicContact CD1-CZ 4.13Å; L139-F262 HydrophobicContact CD2-CE1 4.5Å; L139-F262 HydrophobicContact CD2-CE2 4.27Å; L139-F262 HydrophobicContact CD2-CZ 4.01Å; L139-M268 HydrophobicContact CD1-CE 4Å; L139-M268 HydrophobicContact CG-CE 4.37Å; L139-Q332 CarbonylContact C-O 3.59Å; L139-Q332 WeakPolarHBondContact CA-O 3.27Å; L139-L333 HydrophobicContact CD2-CB 4.37Å; L139-L333 HydrophobicContact CD2-CD1 4.12Å
140S98.2Very high95.8Very high0 Ų050.4 Ų50.40%025%0.245CC..EExtended strand (participates in β ladder)trans-134.8144.7-177.875.70000113.5L182 V331 Q332 S334 Y344S140-L182 VanDerWaalsContact CA-O 3.23Å; S140-L182 WeakPolarHBondContact CA-O 3.4Å; S140-V331 WeakPolarHBondContact O-CA 3.35Å; S140-Q332 PolarHBondContact N-O 3.29Å; S140-Q332 PolarHBondContact O-N 3.46Å; S140-S334 PolarHBondContact OG-OG 3.43Å; S140-Y344 WeakPolarHBondContact CB-OH 3.43Å; S140-Y344 PolarHBondContact OG-OH 3.31Å
141L98.4Very high96.2Very high0 Ų047.7 Ų47.70%024%0.238CC..EExtended strand (participates in β ladder)trans-105.9110.6165.7-53.3177.5000107.4H181 L182 I184 L251 L328 V331 F353L141-H181 CarbonylContact O-C 3.56Å; L141-H181 WeakPolarHBondContact O-CA 3.4Å; L141-L182 HydrophobicContact CB-CB 4.13Å; L141-L182 HydrophobicContact CB-CD1 4.35Å; L141-L182 HydrophobicContact CD1-CD1 4.18Å; L141-L182 PolarHBondContact N-O 2.76Å; L141-L182 PolarHBondContact O-N 2.77Å; L141-I184 HydrophobicContact CD1-CD1 3.67Å; L141-I184 HydrophobicContact CD1-CG1 4.32Å; L141-I184 HydrophobicContact CG-CD1 3.85Å; L141-I184 HydrophobicContact CG-CG1 3.98Å; L141-L251 HydrophobicContact CD1-CD1 3.46Å; L141-L251 VanDerWaalsContact CD1-CD1 3.46Å; L141-L328 HydrophobicContact CB-CD1 4.17Å; L141-L328 HydrophobicContact CB-CD2 3.96Å; L141-L328 HydrophobicContact CD1-CD2 3.93Å; L141-L328 HydrophobicContact CD2-CD2 4.16Å; L141-L328 HydrophobicContact CG-CD2 4.24Å; L141-V331 HydrophobicContact CD2-CB 3.51Å; L141-V331 HydrophobicContact CD2-CG2 3.77Å; L141-F353 HydrophobicContact CD2-CZ 4.24Å
142P98.1Very high96.7Very high9 Ų941.1 Ų41.16%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-62.9136.9-177.2-2132.1000111.9N144 T330 Q332 Y344P142-N144 WeakPolarHBondContact CB-OD1 3.24Å; P142-T330 HydrophobicContact CG-CG2 3.98Å; P142-Q332 HydrophobicContact CG-CG 4.21Å; P142-Y344 HydrophobicContact CB-CE2 4.17Å; P142-Y344 HydrophobicContact CG-CE1 4.16Å
143L98.3Very high97.2Very high3 Ų337.7 Ų37.72%0.01620%0.195CC..  trans-115.111.4173.4-58.2-178.9000111.6D145 V148 L180 L182 V242 F326L143-D145 PolarHBondContact O-N 2.96Å; L143-D145 VanDerWaalsContact O-N 3.15Å; L143-V148 WeakPolarHBondContact O-CB 3.28Å; L143-V148 VanDerWaalsContact O-CG1 3.25Å; L143-V148 WeakPolarHBondContact O-CG1 3.35Å; L143-L180 HydrophobicContact CB-CB 4Å; L143-L180 PolarHBondContact N-O 3.32Å; L143-L182 HydrophobicContact CD1-CD2 3.86Å; L143-L182 HydrophobicContact CD1-CG 3.94Å; L143-L182 HydrophobicContact CD2-CD1 4.28Å; L143-L182 HydrophobicContact CD2-CG 4.04Å; L143-L182 HydrophobicContact CG-CG 4.13Å; L143-V242 HydrophobicContact CD1-CG2 3.82Å; L143-V242 HydrophobicContact CD2-CG1 4.33Å; L143-V242 HydrophobicContact CD2-CG2 4.2Å; L143-F326 HydrophobicContact CD2-CE1 3.93Å; L143-F326 HydrophobicContact CD2-CZ 3.65Å
144N96.7Very high97.7Very high36 Ų3639.4 Ų39.419%0.19321%0.209CC..  trans-85.331.9-174.866.4-28000112.9P142 Q149 L180 Y344P142-N144 WeakPolarHBondContact CB-OD1 3.24Å; N144-Q149 HydrophobicContact CB-CG 4.49Å; N144-Q149 PolarHBondContact O-NE2 2.93Å; N144-L180 PolarHBondContact N-O 3.03Å; N144-Y344 WeakPolarHBondContact ND2-CD2 3.41Å
145D98.1Very high98Very high56 Ų5635.7 Ų35.730%0.29919%0.185SC..  trans-60.6147.1168-177.4-91.6000110.2L143 K147 V148 Q149 F326L143-D145 PolarHBondContact O-N 2.96Å; L143-D145 VanDerWaalsContact O-N 3.15Å; D145-K147 PolarHBondContact O-N 2.77Å; D145-K147 WeakPolarHBondContact OD1-CB 3.32Å; D145-K147 PolarHBondContact OD1-N 3.07Å; D145-V148 HydrophobicContact CB-CG2 4.28Å; D145-V148 PolarHBondContact O-N 3.45Å; D145-V148 VanDerWaalsContact O-N 3.11Å; D145-Q149 WeakPolarHBondContact O-CG 3.43Å; D145-Q149 PolarHBondContact O-N 2.89Å; D145-F326 HydrophobicContact CB-CB 3.62Å; D145-F326 HydrophobicContact CB-CD1 4.47Å; D145-F326 HydrophobicContact CB-CD2 3.86Å; D145-F326 HydrophobicContact CB-CG 3.74Å; D145-F326 VanDerWaalsContact CG-CB 3.48Å
146S97.9Very high98.2Very high71 Ų7133.8 Ų33.850%0.49718%0.177SC..Hα-helixtrans-58-37.6-175.461.70000112.4Q149 E150S146-Q149 PolarHBondContact O-N 3.4Å; S146-E150 WeakPolarHBondContact O-CB 3.22Å; S146-E150 VanDerWaalsContact O-CG 3.29Å; S146-E150 WeakPolarHBondContact O-CG 3.45Å; S146-E150 PolarHBondContact O-N 3.48Å
147K98.2Very high98.3Very high127 Ų12738 Ų3855%0.55220%0.199SC*.Hα-helixtrans-66-41.9178.7-63.9174.1-178173.50111.6D145 E150 G151 E325D145-K147 PolarHBondContact O-N 2.77Å; D145-K147 WeakPolarHBondContact OD1-CB 3.32Å; D145-K147 PolarHBondContact OD1-N 3.07Å; K147-E150 PolarHBondContact O-N 3.24Å; K147-G151 PolarHBondContact O-N 2.77Å; K147-E325 WeakPolarHBondContact CD-O 3.5Å
148V98.6Very high98.4Very high3 Ų340.5 Ų40.52%0.01821%0.21CC..Hα-helixtrans-68.7-38.2177.7-179.20000110.7L143 D145 G151 F152 L180 V222 F323 F326L143-V148 WeakPolarHBondContact O-CB 3.28Å; L143-V148 VanDerWaalsContact O-CG1 3.25Å; L143-V148 WeakPolarHBondContact O-CG1 3.35Å; D145-V148 HydrophobicContact CB-CG2 4.28Å; D145-V148 PolarHBondContact O-N 3.45Å; D145-V148 VanDerWaalsContact O-N 3.11Å; V148-G151 PolarHBondContact O-N 3.4Å; V148-F152 WeakPolarHBondContact O-CB 3.22Å; V148-F152 PolarHBondContact O-N 2.86Å; V148-L180 HydrophobicContact CG1-CD1 4.31Å; V148-V222 HydrophobicContact CG1-CG2 4.29Å; V148-V222 HydrophobicContact CG2-CG2 4.07Å; V148-F323 WeakPolarHBondContact CA-O 3.48Å; V148-F323 HydrophobicContact CG1-CB 4.33Å; V148-F326 HydrophobicContact CG2-CD1 3.74Å; V148-F326 HydrophobicContact CG2-CE1 4.27Å; V148-F326 HydrophobicContact CG2-CG 4.42Å
149Q98.6Very high98.4Very high60 Ų6040.1 Ų40.128%0.2821%0.209SC..Hα-helixtrans-63.7-42.9174.2-70.5-170.565.300111.9N144 D145 S146 F152 Q153 P177N144-Q149 HydrophobicContact CB-CG 4.49Å; N144-Q149 PolarHBondContact O-NE2 2.93Å; D145-Q149 WeakPolarHBondContact O-CG 3.43Å; D145-Q149 PolarHBondContact O-N 2.89Å; S146-Q149 PolarHBondContact O-N 3.4Å; Q149-F152 PolarHBondContact O-N 3.19Å; Q149-Q153 WeakPolarHBondContact O-CG 3.25Å; Q149-Q153 PolarHBondContact O-N 3.36Å; Q149-P177 HydrophobicContact CB-CB 4.06Å; Q149-P177 HydrophobicContact CG-CB 3.83Å
150E98.6Very high98.4Very high130 Ų13041.9 Ų41.961%0.60722%0.218SC*.Hα-helixtrans-63.3-45.9176-74.7169-163.900112S146 K147 F152 Q153 T154S146-E150 WeakPolarHBondContact O-CB 3.22Å; S146-E150 VanDerWaalsContact O-CG 3.29Å; S146-E150 WeakPolarHBondContact O-CG 3.45Å; S146-E150 PolarHBondContact O-N 3.48Å; K147-E150 PolarHBondContact O-N 3.24Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.91Å; E150-Q153 PolarHBondContact O-N 3.36Å; E150-T154 PolarHBondContact O-N 3.23Å; E150-T154 PolarHBondContact O-OG1 2.83Å
151G98.7Very high98.4Very high11 Ų1149.6 Ų49.611%0.11325%0.247CC..Hα-helixtrans-65-37.2175.100000112.6K147 V148 T154 F155 Y321 F323K147-G151 PolarHBondContact O-N 2.77Å; V148-G151 PolarHBondContact O-N 3.4Å; G151-T154 PolarHBondContact O-N 3.24Å; G151-F155 WeakPolarHBondContact O-CB 3.37Å; G151-F155 PolarHBondContact O-N 3.05Å; G151-Y321 PolarHBondContact O-OH 2.98Å; G151-F323 WeakPolarHBondContact CA-O 3.5Å
152F98.8Very high98.4Very high1 Ų152.8 Ų52.80%0.00426%0.262CS..Hα-helixtrans-63.4-41.7173173.2-94.1000112.6V148 Q149 E150 T154 F155 K156 F174 Q175 P177 L180 V281 F323V148-F152 WeakPolarHBondContact O-CB 3.22Å; V148-F152 PolarHBondContact O-N 2.86Å; Q149-F152 PolarHBondContact O-N 3.19Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.91Å; F152-T154 VanDerWaalsContact C-N 3.35Å; F152-F155 WeakPolarHBondContact O-CB 3.43Å; F152-F155 PolarHBondContact O-N 2.93Å; F152-K156 WeakPolarHBondContact O-CB 3.46Å; F152-K156 PolarHBondContact O-N 3.43Å; F152-F174 HydrophobicContact CZ-CB 4.2Å; F152-F174 HydrophobicContact CZ-CD1 4.28Å; F152-Q175 WeakPolarHBondContact CE1-O 3.25Å; F152-Q175 HydrophobicContact CE2-CB 4.46Å; F152-Q175 HydrophobicContact CZ-CB 4.16Å; F152-Q175 WeakPolarHBondContact CZ-O 3.32Å; F152-P177 HydrophobicContact CD1-CB 4Å; F152-P177 HydrophobicContact CD1-CG 3.78Å; F152-P177 HydrophobicContact CE1-CB 4.4Å; F152-P177 HydrophobicContact CE1-CG 3.86Å; F152-L180 HydrophobicContact CB-CD1 3.89Å; F152-L180 HydrophobicContact CD1-CD1 4.38Å; F152-L180 HydrophobicContact CD2-CD1 4.21Å; F152-L180 HydrophobicContact CD2-CD2 4.14Å; F152-L180 HydrophobicContact CE2-CD2 4.27Å; F152-L180 HydrophobicContact CG-CD1 3.89Å; F152-V281 HydrophobicContact CD2-CB 4.23Å; F152-V281 HydrophobicContact CD2-CG1 3.97Å; F152-V281 HydrophobicContact CE2-CB 3.81Å; F152-V281 HydrophobicContact CE2-CG1 4.03Å; F152-F323 HydrophobicContact CB-CD1 4.25Å; F152-F323 HydrophobicContact CD2-CE1 4.35Å
153Q98.6Very high98.4Very high72 Ų7252.4 Ų52.434%0.33626%0.259SS..Hα-helixtrans-64.7-42.5176.3-69.9-67.813.600111.5Q149 E150 F155 K156 D157 P177Q149-Q153 WeakPolarHBondContact O-CG 3.25Å; Q149-Q153 PolarHBondContact O-N 3.36Å; E150-Q153 PolarHBondContact O-N 3.36Å; Q153-F155 VanDerWaalsContact C-N 3.34Å; Q153-F155 PolarHBondContact O-N 3.34Å; Q153-K156 WeakPolarHBondContact O-CB 3.43Å; Q153-K156 PolarHBondContact O-N 3.21Å; Q153-D157 PolarHBondContact O-N 3.24Å; Q153-P177 HydrophobicContact CG-CG 4.35Å
154T98.8Very high98.2Very high83 Ų8354.9 Ų54.951%0.50928%0.277SS..Hα-helixtrans-61.2-43.7175.3-56.10000111.3E150 G151 F152 E158 Y321E150-T154 PolarHBondContact O-N 3.23Å; E150-T154 PolarHBondContact O-OG1 2.83Å; G151-T154 PolarHBondContact O-N 3.24Å; F152-T154 VanDerWaalsContact C-N 3.35Å; T154-E158 VanDerWaalsContact O-CB 3.24Å; T154-E158 WeakPolarHBondContact O-CB 3.08Å; T154-E158 PolarHBondContact O-N 3.3Å; T154-Y321 WeakPolarHBondContact CB-OH 3.49Å; T154-Y321 WeakPolarHBondContact CG2-OH 3.22Å
155F98.8Very high98.2Very high0 Ų061.6 Ų61.60%031%0.307CS..Hα-helixtrans-57.1-49.7173.2173.5-98.1000111.7G151 F152 Q153 E158 V159 F174 I225 L238 V281 M282 I314 F318 Y321 F323G151-F155 WeakPolarHBondContact O-CB 3.37Å; G151-F155 PolarHBondContact O-N 3.05Å; F152-F155 WeakPolarHBondContact O-CB 3.43Å; F152-F155 PolarHBondContact O-N 2.93Å; Q153-F155 VanDerWaalsContact C-N 3.34Å; Q153-F155 PolarHBondContact O-N 3.34Å; F155-E158 PolarHBondContact O-N 2.88Å; F155-V159 HydrophobicContact CD1-CG2 4.28Å; F155-V159 HydrophobicContact CD2-CG2 4.15Å; F155-V159 HydrophobicContact CE1-CG2 3.93Å; F155-V159 HydrophobicContact CE2-CG2 3.79Å; F155-V159 HydrophobicContact CG-CG2 4.39Å; F155-V159 HydrophobicContact CZ-CG2 3.66Å; F155-V159 WeakPolarHBondContact O-CB 3.47Å; F155-V159 VanDerWaalsContact O-CG2 3.28Å; F155-V159 WeakPolarHBondContact O-CG2 3.34Å; F155-V159 PolarHBondContact O-N 2.7Å; F155-F174 HydrophobicContact CD1-CE1 4.29Å; F155-F174 HydrophobicContact CE1-CE1 4.1Å; F155-I225 HydrophobicContact CE2-CD1 4.38Å; F155-I225 HydrophobicContact CE2-CG2 4.3Å; F155-I225 HydrophobicContact CZ-CD1 4.49Å; F155-I225 HydrophobicContact CZ-CG2 4.37Å; F155-L238 HydrophobicContact CZ-CD2 3.99Å; F155-V281 HydrophobicContact CE1-CG2 4.36Å; F155-M282 HydrophobicContact CE1-SD 4.41Å; F155-I314 HydrophobicContact CZ-CG2 4.14Å; F155-F318 HydrophobicContact CD2-CB 4.34Å; F155-F318 HydrophobicContact CD2-CD1 4.18Å; F155-F318 HydrophobicContact CD2-CG 4.33Å; F155-F318 HydrophobicContact CE2-CB 3.73Å; F155-F318 HydrophobicContact CE2-CD1 4.28Å; F155-F318 AromaticContact CE2-CG 3.96Å; F155-F318 HydrophobicContact CE2-CG 3.96Å; F155-Y321 HydrophobicContact CB-CD1 4.08Å; F155-Y321 HydrophobicContact CB-CE1 3.57Å; F155-Y321 AromaticContact CD2-CD1 3.8Å; F155-Y321 HydrophobicContact CD2-CD1 3.8Å; F155-Y321 HydrophobicContact CD2-CD2 4.36Å; F155-Y321 HydrophobicContact CD2-CE1 4.17Å; F155-Y321 AromaticContact CD2-CG 3.91Å; F155-Y321 HydrophobicContact CD2-CG 3.91Å; F155-Y321 HydrophobicContact CG-CD1 4.31Å; F155-Y321 HydrophobicContact CG-CE1 4.29Å; F155-Y321 PolarHBondContact N-OH 3.19Å; F155-F323 HydrophobicContact CB-CD1 4.29Å; F155-F323 HydrophobicContact CB-CE1 3.73Å; F155-F323 HydrophobicContact CB-CZ 4.5Å; F155-F323 AromaticContact CD1-CE1 3.81Å; F155-F323 HydrophobicContact CD1-CE1 3.81Å; F155-F323 HydrophobicContact CD1-CZ 4.21Å; F155-F323 AromaticContact CD2-CE1 3.99Å; F155-F323 HydrophobicContact CD2-CE1 3.99Å; F155-F323 AromaticContact CD2-CZ 3.91Å; F155-F323 HydrophobicContact CD2-CZ 3.91Å; F155-F323 HydrophobicContact CE1-CE1 4.42Å; F155-F323 HydrophobicContact CE1-CZ 4.42Å; F155-F323 HydrophobicContact CE2-CZ 4.14Å; F155-F323 AromaticContact CG-CE1 3.56Å; F155-F323 HydrophobicContact CG-CE1 3.56Å; F155-F323 AromaticContact CG-CZ 3.95Å; F155-F323 HydrophobicContact CG-CZ 3.95Å; F155-F323 HydrophobicContact CZ-CZ 4.39Å
156K98.6Very high98.1Very high28 Ų2860.2 Ų60.212%0.12230%0.3CS..Hα-helixtrans-57.5-52.2179.5172.2-176.5170.5-168.20111.4F152 Q153 E158 V159 L160 E171 F174F152-K156 WeakPolarHBondContact O-CB 3.46Å; F152-K156 PolarHBondContact O-N 3.43Å; Q153-K156 WeakPolarHBondContact O-CB 3.43Å; Q153-K156 PolarHBondContact O-N 3.21Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.4Å; K156-V159 PolarHBondContact O-N 2.84Å; K156-L160 HydrophobicContact CG-CD1 3.9Å; K156-L160 WeakPolarHBondContact O-CB 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.27Å; K156-L160 PolarHBondContact O-N 2.72Å; K156-E171 WeakPolarHBondContact CE-OE1 3.46Å; K156-E171 IonicContact NZ-OE1 2.94Å; K156-E171 PolarHBondContact NZ-OE1 2.99Å; K156-F174 HydrophobicContact CB-CD1 3.75Å; K156-F174 HydrophobicContact CB-CE1 3.87Å; K156-F174 HydrophobicContact CB-CG 4.38Å; K156-F174 HydrophobicContact CD-CB 4.08Å; K156-F174 HydrophobicContact CD-CD1 4.25Å; K156-F174 HydrophobicContact CD-CG 4.05Å; K156-F174 HydrophobicContact CG-CB 4.37Å; K156-F174 HydrophobicContact CG-CD1 3.66Å; K156-F174 HydrophobicContact CG-CD2 4.16Å; K156-F174 HydrophobicContact CG-CE1 3.9Å; K156-F174 HydrophobicContact CG-CE2 4.37Å; K156-F174 HydrophobicContact CG-CG 3.8Å; K156-F174 HydrophobicContact CG-CZ 4.23Å
157D98.6Very high98.1Very high98 Ų9861.9 Ų61.952%0.52430%0.3SS..Hα-helixtrans-59.6-41.9-178.7-70.5-16.7000111Q153 L160 R161Q153-D157 PolarHBondContact O-N 3.24Å; D157-L160 PolarHBondContact O-N 3.37Å; D157-R161 VanDerWaalsContact O-CB 3.26Å; D157-R161 WeakPolarHBondContact O-CB 3.49Å; D157-R161 PolarHBondContact O-N 3.5Å
158E98.6Very high98Very high55 Ų5556.6 Ų56.626%0.25728%0.281SS..Hα-helixtrans-74.2-35.2-176.9-165.850-155.700112.6T154 F155 K156 R161 Q162 F318T154-E158 VanDerWaalsContact O-CB 3.24Å; T154-E158 WeakPolarHBondContact O-CB 3.08Å; T154-E158 PolarHBondContact O-N 3.3Å; F155-E158 PolarHBondContact O-N 2.88Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.4Å; E158-R161 PolarHBondContact O-N 3.5Å; E158-R161 IonicContact OE1-CZ 3.38Å; E158-R161 IonicContact OE1-NE 2.79Å; E158-R161 PolarHBondContact OE1-NE 2.91Å; E158-R161 IonicContact OE1-NH2 3.62Å; E158-R161 PolarHBondContact OE1-NH2 3.02Å; E158-R161 IonicContact OE2-CZ 3.85Å; E158-R161 IonicContact OE2-NE 2.63Å; E158-R161 PolarHBondContact OE2-NE 3.21Å; E158-R161 IonicContact OE2-NH2 2.9Å; E158-Q162 VanDerWaalsContact O-CB 3.27Å; E158-Q162 WeakPolarHBondContact O-CB 3.34Å; E158-Q162 WeakPolarHBondContact O-CG 3.24Å; E158-Q162 PolarHBondContact O-N 2.98Å; E158-Q162 VanDerWaalsContact OE1-CD 3.25Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.29Å; E158-Q162 PolarHBondContact OE1-NE2 3.07Å; E158-F318 HydrophobicContact CB-CE1 3.98Å; E158-F318 HydrophobicContact CB-CZ 4.11Å; E158-F318 HydrophobicContact CG-CE1 3.55Å; E158-F318 HydrophobicContact CG-CZ 3.67Å
159V98.6Very high97.9Very high0 Ų056.9 Ų56.90%028%0.283CS..Hα-helixtrans-64.7-47.7170.3170.50000110.4F155 K156 R161 Q162 C163 V169 F174 I314 F318F155-V159 HydrophobicContact CD1-CG2 4.28Å; F155-V159 HydrophobicContact CD2-CG2 4.15Å; F155-V159 HydrophobicContact CE1-CG2 3.93Å; F155-V159 HydrophobicContact CE2-CG2 3.79Å; F155-V159 HydrophobicContact CG-CG2 4.39Å; F155-V159 HydrophobicContact CZ-CG2 3.66Å; F155-V159 WeakPolarHBondContact O-CB 3.47Å; F155-V159 VanDerWaalsContact O-CG2 3.28Å; F155-V159 WeakPolarHBondContact O-CG2 3.34Å; F155-V159 PolarHBondContact O-N 2.7Å; K156-V159 PolarHBondContact O-N 2.84Å; V159-R161 VanDerWaalsContact C-N 3.26Å; V159-R161 PolarHBondContact O-N 3.22Å; V159-Q162 PolarHBondContact O-N 3.43Å; V159-C163 HydrophobicContact CG1-CB 4.17Å; V159-C163 WeakPolarHBondContact O-CA 3.19Å; V159-C163 VanDerWaalsContact O-CB 3.27Å; V159-C163 WeakPolarHBondContact O-CB 3.36Å; V159-C163 PolarHBondContact O-N 3.37Å; V159-V169 HydrophobicContact CG1-CG1 4.09Å; V159-F174 HydrophobicContact CB-CE1 4.38Å; V159-F174 HydrophobicContact CB-CZ 3.99Å; V159-F174 HydrophobicContact CG1-CE1 4.41Å; V159-F174 HydrophobicContact CG1-CZ 3.71Å; V159-I314 HydrophobicContact CG1-CD1 3.7Å; V159-I314 HydrophobicContact CG1-CG1 3.95Å; V159-I314 HydrophobicContact CG2-CG2 4.14Å; V159-F318 HydrophobicContact CG2-CD2 3.88Å; V159-F318 HydrophobicContact CG2-CE2 3.68Å; V159-F318 HydrophobicContact CG2-CG 4.42Å; V159-F318 HydrophobicContact CG2-CZ 4.03Å
160L98.4Very high97.8Very high37 Ų3757.7 Ų57.719%0.19429%0.287CS..Hα-helixtrans-62.6-35.7177.8-70.8172.1000111.7K156 D157 S164 E171 F174K156-L160 HydrophobicContact CG-CD1 3.9Å; K156-L160 WeakPolarHBondContact O-CB 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.27Å; K156-L160 PolarHBondContact O-N 2.72Å; D157-L160 PolarHBondContact O-N 3.37Å; L160-S164 WeakPolarHBondContact O-CB 3.42Å; L160-S164 PolarHBondContact O-OG 3.47Å; L160-E171 HydrophobicContact CD1-CB 4.17Å; L160-E171 HydrophobicContact CD2-CB 4.47Å; L160-F174 HydrophobicContact CD1-CE2 4.45Å; L160-F174 HydrophobicContact CD2-CE2 3.82Å; L160-F174 HydrophobicContact CD2-CZ 4.46Å; L160-F174 HydrophobicContact CG-CE2 3.99Å; L160-F174 HydrophobicContact CG-CZ 4.28Å
161R98.4Very high97.7Very high162 Ų16257.4 Ų57.461%0.61129%0.285SS*.Hα-helixtrans-68.8-39.3176.1-166.4-170.972.774.8-4.2112.8D157 E158 V159D157-R161 VanDerWaalsContact O-CB 3.26Å; D157-R161 WeakPolarHBondContact O-CB 3.49Å; D157-R161 PolarHBondContact O-N 3.5Å; E158-R161 PolarHBondContact O-N 3.5Å; E158-R161 IonicContact OE1-CZ 3.38Å; E158-R161 IonicContact OE1-NE 2.79Å; E158-R161 PolarHBondContact OE1-NE 2.91Å; E158-R161 IonicContact OE1-NH2 3.62Å; E158-R161 PolarHBondContact OE1-NH2 3.02Å; E158-R161 IonicContact OE2-CZ 3.85Å; E158-R161 IonicContact OE2-NE 2.63Å; E158-R161 PolarHBondContact OE2-NE 3.21Å; E158-R161 IonicContact OE2-NH2 2.9Å; V159-R161 VanDerWaalsContact C-N 3.26Å; V159-R161 PolarHBondContact O-N 3.22Å
162Q98.2Very high97.5Very high66 Ų6658.4 Ų58.431%0.30829%0.291SS..Hα-helixtrans-102.2-18.4-170.2-71.3-159.370.200115.8E158 V159 K317E158-Q162 VanDerWaalsContact O-CB 3.27Å; E158-Q162 WeakPolarHBondContact O-CB 3.34Å; E158-Q162 WeakPolarHBondContact O-CG 3.24Å; E158-Q162 PolarHBondContact O-N 2.98Å; E158-Q162 VanDerWaalsContact OE1-CD 3.25Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.29Å; E158-Q162 PolarHBondContact OE1-NE2 3.07Å; V159-Q162 PolarHBondContact O-N 3.43Å; Q162-K317 HydrophobicContact CB-CD 4.24Å
163C97.6Very high97.4Very high1 Ų158.4 Ų58.41%0.00729%0.291CS..Hα-helixtrans-135.35.9-167.6-68.10000113.6V159 Q165 D166 I314V159-C163 HydrophobicContact CG1-CB 4.17Å; V159-C163 WeakPolarHBondContact O-CA 3.19Å; V159-C163 VanDerWaalsContact O-CB 3.27Å; V159-C163 WeakPolarHBondContact O-CB 3.36Å; V159-C163 PolarHBondContact O-N 3.37Å; C163-Q165 PolarHBondContact O-N 3.01Å; C163-Q165 VanDerWaalsContact O-N 3.08Å; C163-D166 WeakPolarHBondContact CA-OD2 3.45Å; C163-D166 VanDerWaalsContact CB-OD2 3.25Å; C163-D166 WeakPolarHBondContact CB-OD2 3.21Å; C163-D166 VanDerWaalsContact O-CB 3.29Å; C163-D166 WeakPolarHBondContact O-CB 3.22Å; C163-D166 PolarHBondContact O-N 3.22Å; C163-I314 HydrophobicContact CB-CG1 3.98Å
164S94.5Very high97.4Very high56 Ų5655.6 Ų55.639%0.39228%0.277SS..THydrogen-bonded Turntrans-65-10.4178.649.20000115.3L160L160-S164 WeakPolarHBondContact O-CB 3.42Å; L160-S164 PolarHBondContact O-OG 3.47Å
165Q96.4Very high97.4Very high176 Ų17652.6 Ų52.682%0.82226%0.257SS*.THydrogen-bonded Turntrans-88.1-10.2173-58.3-56.9-63.800112.5C163C163-Q165 PolarHBondContact O-N 3.01Å; C163-Q165 VanDerWaalsContact O-N 3.08Å
166D97.5Very high97.3Very high27 Ų2756.5 Ų56.514%0.14428%0.279CS..SBendtrans-74.1144175.8-59.9-37.6000109.6C163 G168 V169 D310 N313C163-D166 WeakPolarHBondContact CA-OD2 3.45Å; C163-D166 VanDerWaalsContact CB-OD2 3.25Å; C163-D166 WeakPolarHBondContact CB-OD2 3.21Å; C163-D166 VanDerWaalsContact O-CB 3.29Å; C163-D166 WeakPolarHBondContact O-CB 3.22Å; C163-D166 PolarHBondContact O-N 3.22Å; D166-G168 PolarHBondContact O-N 2.95Å; D166-V169 HydrophobicContact CB-CB 4.46Å; D166-V169 HydrophobicContact CB-CG2 3.88Å; D166-V169 PolarHBondContact O-N 2.79Å; D166-D310 HydrophobicContact CB-CB 4.44Å; D166-N313 PolarHBondContact OD1-ND2 3.32Å; D166-N313 WeakPolarHBondContact OD2-CB 3.21Å; D166-N313 PolarHBondContact OD2-ND2 3.1Å
167H96.9Very high97.2Very high107 Ų10756 Ų5650%0.49528%0.278SS..THydrogen-bonded Turntrans-57.1132.1-175.1178.463.9000111.4V169 E307 F309 D310H167-V169 PolarHBondContact O-N 3.34Å; H167-V169 VanDerWaalsContact O-N 3.17Å; H167-E307 IonicContact CE1-OE1 3.75Å; H167-F309 CarbonylContact O-C 3.58Å; H167-F309 WeakPolarHBondContact O-CA 3.42Å; H167-F309 WeakPolarHBondContact O-CB 3.17Å; H167-D310 HydrophobicContact CB-CB 4.39Å; H167-D310 PolarHBondContact O-N 3.11Å
168G95.6Very high97.2Very high15 Ų1552 Ų5216%0.15526%0.258CS..THydrogen-bonded Turntrans72.7-2.8175.600000116.1D166 E170 I173 R287 F309D166-G168 PolarHBondContact O-N 2.95Å; G168-E170 PolarHBondContact O-N 2.91Å; G168-I173 WeakPolarHBondContact O-CD1 3.36Å; G168-R287 PolarHBondContact O-NH2 3.34Å; G168-F309 VanDerWaalsContact C-CB 3.46Å; G168-F309 WeakPolarHBondContact O-CB 3.16Å
169V97.4Very high97.1Very high9 Ų950.2 Ų50.26%0.05525%0.25CC..  trans-82.6107.3179.5179.80000110.5V159 D166 H167 M282 F309 I314V159-V169 HydrophobicContact CG1-CG1 4.09Å; D166-V169 HydrophobicContact CB-CB 4.46Å; D166-V169 HydrophobicContact CB-CG2 3.88Å; D166-V169 PolarHBondContact O-N 2.79Å; H167-V169 PolarHBondContact O-N 3.34Å; H167-V169 VanDerWaalsContact O-N 3.17Å; V169-M282 HydrophobicContact CG1-CE 4.47Å; V169-F309 HydrophobicContact CG2-CB 4.15Å; V169-F309 HydrophobicContact CG2-CD2 4.02Å; V169-F309 HydrophobicContact CG2-CG 4.49Å; V169-I314 HydrophobicContact CG1-CD1 4.35Å; V169-I314 HydrophobicContact CG2-CD1 4.02Å
170E95.5Very high97.1Very high78 Ų7850.5 Ų50.536%0.36425%0.251SS..  trans-146.1167.2-18060.4173.6179.600112.4G168 S172 I173 F174 R287G168-E170 PolarHBondContact O-N 2.91Å; E170-S172 VanDerWaalsContact C-N 3.25Å; E170-S172 VanDerWaalsContact CD-OG 3.25Å; E170-S172 PolarHBondContact O-N 2.75Å; E170-S172 PolarHBondContact OE1-OG 3.13Å; E170-I173 HydrophobicContact CG-CG1 4.38Å; E170-I173 HydrophobicContact CG-CG2 4.32Å; E170-I173 WeakPolarHBondContact O-CG1 3.34Å; E170-I173 PolarHBondContact O-N 2.78Å; E170-F174 VanDerWaalsContact O-CD2 3.26Å; E170-F174 WeakPolarHBondContact O-CD2 3.44Å; E170-F174 WeakPolarHBondContact O-CE2 3.25Å; E170-R287 VanDerWaalsContact OE1-CD 3.23Å; E170-R287 WeakPolarHBondContact OE1-CD 3.45Å; E170-R287 VanDerWaalsContact OE1-CG 3.3Å; E170-R287 WeakPolarHBondContact OE1-CG 3.25Å; E170-R287 IonicContact OE1-CZ 2.71Å; E170-R287 IonicContact OE1-NE 3.68Å; E170-R287 PolarHBondContact OE1-NE 2.6Å
171E96.6Very high97.1Very high123 Ų12349.6 Ų49.658%0.57525%0.246SC*.G310 helixtrans-61.3-33.7-176.6174.5168-151.200113.1K156 L160 I173 F174K156-E171 WeakPolarHBondContact CE-OE1 3.46Å; K156-E171 IonicContact NZ-OE1 2.94Å; K156-E171 PolarHBondContact NZ-OE1 2.99Å; L160-E171 HydrophobicContact CD1-CB 4.17Å; L160-E171 HydrophobicContact CD2-CB 4.47Å; E171-I173 PolarHBondContact O-N 3.15Å; E171-F174 PolarHBondContact O-N 2.92Å
172S95.9Very high97.1Very high33 Ų3341.9 Ų41.923%0.23122%0.217CC..G310 helixtrans-66-22.2-171.780.40000113.7E170 F286 R287E170-S172 VanDerWaalsContact C-N 3.25Å; E170-S172 VanDerWaalsContact CD-OG 3.25Å; E170-S172 PolarHBondContact O-N 2.75Å; E170-S172 PolarHBondContact OE1-OG 3.13Å; S172-F286 CarbonylContact O-C 3.51Å; S172-F286 VanDerWaalsContact O-C 3.31Å; S172-F286 WeakPolarHBondContact O-CB 3.38Å; S172-R287 WeakPolarHBondContact OG-CA 3.19Å
173I96.6Very high97.1Very high0 Ų040.5 Ų40.50%021%0.213CC..G310 helixtrans-90.4-2.5-17861.9161.9000113.3G168 E170 E171 M282 N283 F286 R287 F309G168-I173 WeakPolarHBondContact O-CD1 3.36Å; E170-I173 HydrophobicContact CG-CG1 4.38Å; E170-I173 HydrophobicContact CG-CG2 4.32Å; E170-I173 WeakPolarHBondContact O-CG1 3.34Å; E170-I173 PolarHBondContact O-N 2.78Å; E171-I173 PolarHBondContact O-N 3.15Å; I173-M282 HydrophobicContact CD1-CE 3.44Å; I173-M282 VanDerWaalsContact CD1-CE 3.44Å; I173-M282 HydrophobicContact CG1-CE 3.96Å; I173-M282 CarbonylContact O-C 3.09Å; I173-M282 WeakPolarHBondContact O-CA 3.28Å; I173-N283 PolarHBondContact O-N 3.41Å; I173-F286 WeakPolarHBondContact O-CD2 3.4Å; I173-R287 HydrophobicContact CG2-CB 4.06Å; I173-F309 HydrophobicContact CD1-CB 4.23Å; I173-F309 HydrophobicContact CD1-CD1 3.69Å; I173-F309 HydrophobicContact CD1-CD2 4.44Å; I173-F309 HydrophobicContact CD1-CE1 4.11Å; I173-F309 HydrophobicContact CD1-CG 3.87Å
174F98.3Very high97.1Very high14 Ų1440.9 Ų40.96%0.06122%0.215CC..BIsolated β-bridgetrans-79.2140.4174.4-72.7-96000111.3F152 F155 K156 V159 L160 E170 E171 M282F152-F174 HydrophobicContact CZ-CB 4.2Å; F152-F174 HydrophobicContact CZ-CD1 4.28Å; F155-F174 HydrophobicContact CD1-CE1 4.29Å; F155-F174 HydrophobicContact CE1-CE1 4.1Å; K156-F174 HydrophobicContact CB-CD1 3.75Å; K156-F174 HydrophobicContact CB-CE1 3.87Å; K156-F174 HydrophobicContact CB-CG 4.38Å; K156-F174 HydrophobicContact CD-CB 4.08Å; K156-F174 HydrophobicContact CD-CD1 4.25Å; K156-F174 HydrophobicContact CD-CG 4.05Å; K156-F174 HydrophobicContact CG-CB 4.37Å; K156-F174 HydrophobicContact CG-CD1 3.66Å; K156-F174 HydrophobicContact CG-CD2 4.16Å; K156-F174 HydrophobicContact CG-CE1 3.9Å; K156-F174 HydrophobicContact CG-CE2 4.37Å; K156-F174 HydrophobicContact CG-CG 3.8Å; K156-F174 HydrophobicContact CG-CZ 4.23Å; V159-F174 HydrophobicContact CB-CE1 4.38Å; V159-F174 HydrophobicContact CB-CZ 3.99Å; V159-F174 HydrophobicContact CG1-CE1 4.41Å; V159-F174 HydrophobicContact CG1-CZ 3.71Å; L160-F174 HydrophobicContact CD1-CE2 4.45Å; L160-F174 HydrophobicContact CD2-CE2 3.82Å; L160-F174 HydrophobicContact CD2-CZ 4.46Å; L160-F174 HydrophobicContact CG-CE2 3.99Å; L160-F174 HydrophobicContact CG-CZ 4.28Å; E170-F174 VanDerWaalsContact O-CD2 3.26Å; E170-F174 WeakPolarHBondContact O-CD2 3.44Å; E170-F174 WeakPolarHBondContact O-CE2 3.25Å; E171-F174 PolarHBondContact O-N 2.92Å; F174-M282 HydrophobicContact CD1-CG 3.79Å; F174-M282 HydrophobicContact CD1-SD 4.36Å; F174-M282 HydrophobicContact CE1-CE 4.19Å; F174-M282 HydrophobicContact CE1-CG 3.81Å; F174-M282 HydrophobicContact CE1-SD 3.76Å; F174-M282 HydrophobicContact CE2-CE 3.93Å; F174-M282 HydrophobicContact CG-CG 4.28Å; F174-M282 HydrophobicContact CZ-CE 3.75Å; F174-M282 HydrophobicContact CZ-CG 4.32Å; F174-M282 HydrophobicContact CZ-SD 3.89Å
175Q97.6Very high97.2Very high19 Ų1938.8 Ų38.89%0.08920%0.202CC..PPolyproline II helixtrans-62.5150.9175.9-177.955.8-82.600111.5F152 P177 L180 V281 F286F152-Q175 WeakPolarHBondContact CE1-O 3.25Å; F152-Q175 HydrophobicContact CE2-CB 4.46Å; F152-Q175 HydrophobicContact CZ-CB 4.16Å; F152-Q175 WeakPolarHBondContact CZ-O 3.32Å; Q175-P177 WeakPolarHBondContact O-CD 3.22Å; Q175-L180 HydrophobicContact CB-CD2 4.24Å; Q175-L180 HydrophobicContact CG-CD2 3.88Å; Q175-L180 HydrophobicContact CG-CG 4.48Å; Q175-V281 WeakPolarHBondContact CB-O 3.29Å; Q175-V281 PolarHBondContact N-O 3.39Å; Q175-F286 HydrophobicContact CB-CE2 3.83Å; Q175-F286 HydrophobicContact CG-CE2 4.35Å
176N96.8Very high97.1Very high83 Ų8332.5 Ų32.544%0.44418%0.176SC..PPolyproline II helixtrans-68122.6165.3179-16000109.2A178 K179 L180N176-A178 PolarHBondContact O-N 3.48Å; N176-A178 VanDerWaalsContact O-N 3.13Å; N176-A178 WeakPolarHBondContact OD1-CB 3.27Å; N176-A178 PolarHBondContact OD1-N 2.99Å; N176-K179 HydrophobicContact CB-CB 4.14Å; N176-K179 HydrophobicContact CB-CG 3.94Å; N176-K179 WeakPolarHBondContact O-CA 3.39Å; N176-K179 WeakPolarHBondContact O-CB 3.47Å; N176-K179 PolarHBondContact O-N 3.06Å; N176-L180 PolarHBondContact O-N 3.17Å
177P97.7Very high97.1Very high17 Ų1731.3 Ų31.311%0.1117%0.17CC..G310 helixtrans-53.9-37.3-179.1-16.520.2000113.3Q149 F152 Q153 Q175 K179 L180Q149-P177 HydrophobicContact CB-CB 4.06Å; Q149-P177 HydrophobicContact CG-CB 3.83Å; F152-P177 HydrophobicContact CD1-CB 4Å; F152-P177 HydrophobicContact CD1-CG 3.78Å; F152-P177 HydrophobicContact CE1-CB 4.4Å; F152-P177 HydrophobicContact CE1-CG 3.86Å; Q153-P177 HydrophobicContact CG-CG 4.35Å; Q175-P177 WeakPolarHBondContact O-CD 3.22Å; P177-K179 PolarHBondContact O-N 2.87Å; P177-K179 VanDerWaalsContact O-N 3.15Å; P177-L180 WeakPolarHBondContact O-CG 3.5Å; P177-L180 PolarHBondContact O-N 3.33Å
178A97.5Very high97Very high13 Ų1327.3 Ų27.311%0.10716%0.155CC..G310 helixtrans-70-8.117800000113.3N176 Y344N176-A178 PolarHBondContact O-N 3.48Å; N176-A178 VanDerWaalsContact O-N 3.13Å; N176-A178 WeakPolarHBondContact OD1-CB 3.27Å; N176-A178 PolarHBondContact OD1-N 2.99Å; A178-Y344 WeakPolarHBondContact O-CA 3.36Å; A178-Y344 WeakPolarHBondContact O-CD2 3.11Å
179K97.6Very high97Very high18 Ų1826.7 Ų26.78%0.07815%0.148CC..G310 helixtrans-111.38.9177.6-61.8-67.1-167.7-176.30112.5N176 P177 H181 S338 T339 G343 Y344 Y345N176-K179 HydrophobicContact CB-CB 4.14Å; N176-K179 HydrophobicContact CB-CG 3.94Å; N176-K179 WeakPolarHBondContact O-CA 3.39Å; N176-K179 WeakPolarHBondContact O-CB 3.47Å; N176-K179 PolarHBondContact O-N 3.06Å; P177-K179 PolarHBondContact O-N 2.87Å; P177-K179 VanDerWaalsContact O-N 3.15Å; K179-H181 PolarHBondContact O-N 3.27Å; K179-H181 PolarHBondContact O-ND1 2.96Å; K179-S338 PolarHBondContact NZ-O 3.31Å; K179-T339 PolarHBondContact NZ-OG1 2.89Å; K179-G343 VanDerWaalsContact CD-O 3.29Å; K179-G343 WeakPolarHBondContact CD-O 3.32Å; K179-G343 WeakPolarHBondContact CE-O 3.3Å; K179-G343 PolarHBondContact NZ-O 2.89Å; K179-Y344 PolarHBondContact NZ-O 2.84Å; K179-Y345 HydrophobicContact CB-CE2 3.97Å; K179-Y345 HydrophobicContact CD-CD1 4.28Å; K179-Y345 HydrophobicContact CD-CD2 3.8Å; K179-Y345 HydrophobicContact CD-CE1 4.09Å; K179-Y345 HydrophobicContact CD-CE2 3.58Å; K179-Y345 HydrophobicContact CD-CG 4.15Å; K179-Y345 HydrophobicContact CG-CE2 4.32Å
180L98.4Very high96.9Very high6 Ų626.6 Ų26.63%0.03115%0.147CC..  trans-63.4126.9174.8-68.3169.5000110.5L143 N144 V148 F152 Q175 N176 P177 V281L143-L180 HydrophobicContact CB-CB 4Å; L143-L180 PolarHBondContact N-O 3.32Å; N144-L180 PolarHBondContact N-O 3.03Å; V148-L180 HydrophobicContact CG1-CD1 4.31Å; F152-L180 HydrophobicContact CB-CD1 3.89Å; F152-L180 HydrophobicContact CD1-CD1 4.38Å; F152-L180 HydrophobicContact CD2-CD1 4.21Å; F152-L180 HydrophobicContact CD2-CD2 4.14Å; F152-L180 HydrophobicContact CE2-CD2 4.27Å; F152-L180 HydrophobicContact CG-CD1 3.89Å; Q175-L180 HydrophobicContact CB-CD2 4.24Å; Q175-L180 HydrophobicContact CG-CD2 3.88Å; Q175-L180 HydrophobicContact CG-CG 4.48Å; N176-L180 PolarHBondContact O-N 3.17Å; P177-L180 WeakPolarHBondContact O-CG 3.5Å; P177-L180 PolarHBondContact O-N 3.33Å; L180-V281 HydrophobicContact CD2-CG1 4.49Å
181H98.6Very high96.7Very high18 Ų1823.8 Ų23.88%0.08314%0.135CC..EExtended strand (participates in β ladder)trans-161.2161.4-178.265.2-76.1000111.9F138 L141 K179 T183 Y344 Y345F138-H181 AromaticContact CE2-CD2 3.56Å; F138-H181 AromaticContact CE2-NE2 3.46Å; F138-H181 WeakPolarHBondContact CE2-NE2 3.47Å; L141-H181 CarbonylContact O-C 3.56Å; L141-H181 WeakPolarHBondContact O-CA 3.4Å; K179-H181 PolarHBondContact O-N 3.27Å; K179-H181 PolarHBondContact O-ND1 2.96Å; H181-T183 PolarHBondContact CD2-OG1 3.47Å; H181-T183 VanDerWaalsContact CD2-OG1 3.31Å; H181-T183 PolarHBondContact NE2-OG1 2.92Å; H181-Y344 HydrophobicContact CB-CE2 4.06Å; H181-Y344 WeakPolarHBondContact CB-OH 3.33Å; H181-Y345 AromaticContact CE1-CE2 3.6Å; H181-Y345 AromaticContact CE1-CZ 3.9Å; H181-Y345 AromaticContact ND1-CE2 3.59Å
182L98.5Very high96.6Very high0 Ų023 Ų230%013%0.134CC..EExtended strand (participates in β ladder)trans-93.5125.7160.7-56.8174.1000108.6S140 L141 L143 V242 L251 L277S140-L182 VanDerWaalsContact CA-O 3.23Å; S140-L182 WeakPolarHBondContact CA-O 3.4Å; L141-L182 HydrophobicContact CB-CB 4.13Å; L141-L182 HydrophobicContact CB-CD1 4.35Å; L141-L182 HydrophobicContact CD1-CD1 4.18Å; L141-L182 PolarHBondContact N-O 2.76Å; L141-L182 PolarHBondContact O-N 2.77Å; L143-L182 HydrophobicContact CD1-CD2 3.86Å; L143-L182 HydrophobicContact CD1-CG 3.94Å; L143-L182 HydrophobicContact CD2-CD1 4.28Å; L143-L182 HydrophobicContact CD2-CG 4.04Å; L143-L182 HydrophobicContact CG-CG 4.13Å; L182-V242 HydrophobicContact CD1-CB 4.17Å; L182-V242 HydrophobicContact CD1-CG1 4.19Å; L182-V242 HydrophobicContact CD1-CG2 4.34Å; L182-V242 HydrophobicContact CD2-CB 4.3Å; L182-V242 HydrophobicContact CD2-CG2 3.79Å; L182-V242 HydrophobicContact CG-CG2 4.42Å; L182-L251 HydrophobicContact CD1-CD2 4.06Å; L182-L277 HydrophobicContact CD1-CD2 4.37Å
183T97.3Very high96.5Very high38 Ų3823.7 Ų23.723%0.23314%0.142CC..EExtended strand (participates in β ladder)trans-84.3125.1168.8-65.20000109.2F138 H181 T186F138-T183 HydrophobicContact CB-CG2 4.37Å; F138-T183 HydrophobicContact CD2-CG2 4.41Å; H181-T183 PolarHBondContact CD2-OG1 3.47Å; H181-T183 VanDerWaalsContact CD2-OG1 3.31Å; H181-T183 PolarHBondContact NE2-OG1 2.92Å; T183-T186 HydrophobicContact CG2-CG2 4.39Å
184I97.6Very high96.4Very high8 Ų825 Ų254%0.04115%0.148CC..EExtended strand (participates in β ladder)trans-93.8-39.2179.1-55.2-63.1000110.9L139 L141 A255 L258 V259 L277L139-I184 HydrophobicContact CB-CB 3.9Å; L139-I184 HydrophobicContact CB-CG2 4.47Å; L139-I184 PolarHBondContact O-N 3.37Å; L141-I184 HydrophobicContact CD1-CD1 3.67Å; L141-I184 HydrophobicContact CD1-CG1 4.32Å; L141-I184 HydrophobicContact CG-CD1 3.85Å; L141-I184 HydrophobicContact CG-CG1 3.98Å; I184-A255 HydrophobicContact CD1-CB 3.71Å; I184-A255 HydrophobicContact CG2-CB 4.25Å; I184-L258 HydrophobicContact CG2-CB 4Å; I184-L258 HydrophobicContact CG2-CD1 4.25Å; I184-V259 HydrophobicContact CG2-CG2 3.84Å; I184-V259 VanDerWaalsContact O-CG2 3.3Å; I184-V259 WeakPolarHBondContact O-CG2 3.48Å; I184-L277 HydrophobicContact CD1-CD2 3.7Å
185G96Very high96.4Very high12 Ų1225.2 Ų25.212%0.12415%0.151CC..EExtended strand (participates in β ladder)trans-177.4156.7174.300000112.1F138 L139F138-G185 CarbonylContact C-O 3.52Å; F138-G185 WeakPolarHBondContact CA-O 3.26Å; F138-G185 WeakPolarHBondContact CB-O 3.47Å; L139-G185 PolarHBondContact N-O 3.08Å
186T96.2Very high96.4Very high45 Ų4531.9 Ų31.928%0.27618%0.175SC..EExtended strand (participates in β ladder)trans-102.8150.8-17572.70000111.8F135 F138 T183F135-T186 HydrophobicContact CD1-CG2 4.2Å; F135-T186 HydrophobicContact CD2-CG2 4.19Å; F135-T186 HydrophobicContact CE1-CG2 4.46Å; F135-T186 HydrophobicContact CE2-CG2 4.43Å; F135-T186 HydrophobicContact CG-CG2 4.07Å; F138-T186 HydrophobicContact CB-CG2 4.45Å; T183-T186 HydrophobicContact CG2-CG2 4.39Å
187L96.5Very high96.4Very high2 Ų232.3 Ų32.31%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-135.2136.5-177.3-55.288.8000110.8F135 T136 H137 L139 L189 A198 F262 L267 M268 L333F135-L187 CarbonylContact C-O 3.59Å; F135-L187 WeakPolarHBondContact CA-O 3.4Å; T136-L187 PolarHBondContact N-O 3.49Å; T136-L187 PolarHBondContact OG1-O 2.98Å; H137-L187 HydrophobicContact CB-CB 4.4Å; H137-L187 PolarHBondContact N-O 3.41Å; H137-L187 PolarHBondContact O-N 2.76Å; L139-L187 HydrophobicContact CG-CD1 4.31Å; L187-L189 HydrophobicContact CB-CD1 4.42Å; L187-L189 HydrophobicContact CB-CD2 3.98Å; L187-L189 HydrophobicContact CB-CG 3.88Å; L187-L189 HydrophobicContact CD2-CD1 4.35Å; L187-L189 HydrophobicContact CD2-CD2 4.03Å; L187-L189 HydrophobicContact CD2-CG 4.41Å; L187-A198 HydrophobicContact CD2-CB 4.43Å; L187-F262 HydrophobicContact CD2-CD1 3.6Å; L187-F262 HydrophobicContact CD2-CE1 3.75Å; L187-L267 HydrophobicContact CD2-CB 4.21Å; L187-M268 HydrophobicContact CD1-CE 3.92Å; L187-M268 HydrophobicContact CG-CE 4.16Å; L187-L333 HydrophobicContact CD1-CD1 3.97Å; L187-L333 HydrophobicContact CD2-CD1 4.27Å
188A95.6Very high96.4Very high22 Ų2231.5 Ų31.518%0.18217%0.168CC..  trans-99.780.2168.900000109.5R130 Q133R130-A188 PolarHBondContact NH1-O 3Å; Q133-A188 HydrophobicContact CB-CB 4.44Å
189L95.8Very high96.4Very high2 Ų232 Ų321%0.0117%0.17CC..  trans-89.8116.3175.3-48.4-179.9000108.7T136 H137 L187 E194 V195 A198 L267 L333T136-L189 PolarHBondContact OG1-N 2.94Å; T136-L189 PolarHBondContact OG1-O 3.28Å; H137-L189 HydrophobicContact CB-CD1 3.96Å; H137-L189 HydrophobicContact CB-CG 4.38Å; L187-L189 HydrophobicContact CB-CD1 4.42Å; L187-L189 HydrophobicContact CB-CD2 3.98Å; L187-L189 HydrophobicContact CB-CG 3.88Å; L187-L189 HydrophobicContact CD2-CD1 4.35Å; L187-L189 HydrophobicContact CD2-CD2 4.03Å; L187-L189 HydrophobicContact CD2-CG 4.41Å; L189-E194 WeakPolarHBondContact CA-OE2 3.33Å; L189-E194 HydrophobicContact CB-CB 4.24Å; L189-E194 HydrophobicContact CD2-CB 4.25Å; L189-V195 HydrophobicContact CB-CG2 4.05Å; L189-V195 HydrophobicContact CD1-CG2 4.2Å; L189-A198 HydrophobicContact CD1-CB 3.61Å; L189-A198 HydrophobicContact CD2-CB 4.16Å; L189-L267 HydrophobicContact CD2-CD2 4.27Å; L189-L333 HydrophobicContact CD1-CD1 4.41Å; L189-L333 HydrophobicContact CD1-CD2 4.15Å
190L93.8Very high96.4Very high7 Ų736.4 Ų36.44%0.03719%0.191CC..  trans-107.9-8.8-163.2-60.4-178.5000114.2P68 V70 L71 Q133 E194P68-L190 HydrophobicContact CB-CB 3.63Å; P68-L190 HydrophobicContact CB-CD1 4.35Å; P68-L190 HydrophobicContact CG-CB 3.83Å; P68-L190 HydrophobicContact CG-CD1 4.31Å; V70-L190 HydrophobicContact CG2-CB 3.82Å; V70-L190 HydrophobicContact CG2-CD1 3.98Å; V70-L190 HydrophobicContact CG2-CD2 4.38Å; V70-L190 HydrophobicContact CG2-CG 4.28Å; L71-L190 HydrophobicContact CD1-CD1 3.8Å; L71-L190 HydrophobicContact CD2-CD1 4Å; L71-L190 HydrophobicContact CG-CD1 3.91Å; Q133-L190 HydrophobicContact CB-CD2 4.29Å; Q133-L190 HydrophobicContact CG-CD1 4.23Å; Q133-L190 HydrophobicContact CG-CD2 4.19Å; L190-E194 PolarHBondContact N-OE2 3.23Å
191N92.5Very high96.4Very high20 Ų2039.8 Ų39.811%0.10720%0.204CC..SBendtrans-151.8172.4171.866.416.7000111.2E102 A193 E194 V195E102-N191 PolarHBondContact OE2-ND2 3.44Å; N191-A193 PolarHBondContact O-N 3.29Å; N191-A193 PolarHBondContact OD1-N 2.89Å; N191-E194 PolarHBondContact O-N 3.31Å; N191-E194 WeakPolarHBondContact OD1-CG 3.49Å; N191-E194 PolarHBondContact OD1-N 2.81Å; N191-V195 PolarHBondContact O-N 3.26Å
192D93.3Very high96.4Very high105 Ų10539 Ų3956%0.56120%0.2SC*.Hα-helixtrans-66.1-23.6-177.8-65.2-20.5000113.5R196D192-R196 WeakPolarHBondContact O-CG 3.16Å; D192-R196 PolarHBondContact O-N 2.82Å; D192-R196 PolarHBondContact O-NE 2.96Å
193A93.4Very high96.4Very high49 Ų4943.2 Ų43.241%0.40522%0.22SC..Hα-helixtrans-69.2-43.5175.500000111N191 R196 K197N191-A193 PolarHBondContact O-N 3.29Å; N191-A193 PolarHBondContact OD1-N 2.89Å; A193-R196 PolarHBondContact O-N 3.05Å; A193-K197 PolarHBondContact O-N 3.42Å
194E95.5Very high96.3Very high27 Ų2745.4 Ų45.413%0.12623%0.227CC..Hα-helixtrans-65.9-37.3175.1-72-179.7-178.600112.4P68 R130 L189 L190 N191 K197 A198P68-E194 WeakPolarHBondContact CG-OE1 3.37Å; R130-E194 IonicContact CZ-OE1 3.99Å; R130-E194 IonicContact CZ-OE2 3.74Å; R130-E194 IonicContact NH1-OE1 3.57Å; R130-E194 PolarHBondContact NH1-OE1 2.91Å; R130-E194 IonicContact NH1-OE2 2.66Å; R130-E194 PolarHBondContact NH1-OE2 2.79Å; R130-E194 IonicContact NH2-OE1 2.73Å; R130-E194 PolarHBondContact NH2-OE1 2.74Å; R130-E194 IonicContact NH2-OE2 2.71Å; L189-E194 WeakPolarHBondContact CA-OE2 3.33Å; L189-E194 HydrophobicContact CB-CB 4.24Å; L189-E194 HydrophobicContact CD2-CB 4.25Å; L190-E194 PolarHBondContact N-OE2 3.23Å; N191-E194 PolarHBondContact O-N 3.31Å; N191-E194 WeakPolarHBondContact OD1-CG 3.49Å; N191-E194 PolarHBondContact OD1-N 2.81Å; E194-K197 PolarHBondContact O-N 3.46Å; E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.37Å
195V97.6Very high96.3Very high19 Ų1945 Ų4512%0.11523%0.225CC..Hα-helixtrans-61.3-47.9173.3177.60000111L4 L189 N191 K197 A198 C199 A348L4-V195 HydrophobicContact CD1-CG2 3.8Å; L189-V195 HydrophobicContact CB-CG2 4.05Å; L189-V195 HydrophobicContact CD1-CG2 4.2Å; N191-V195 PolarHBondContact O-N 3.26Å; V195-K197 PolarHBondContact O-N 2.92Å; V195-A198 PolarHBondContact O-N 2.94Å; V195-C199 PolarHBondContact O-N 3.2Å; V195-C199 PolarHBondContact O-SG 3.48Å; V195-A348 HydrophobicContact CG1-CB 3.85Å
196R97.3Very high96.4Very high159 Ų15948 Ų4860%0.624%0.236SC*.Hα-helixtrans-59.4-46.4176.6-76.4-176.5-69150.8-2.1112D192 A193 A198 C199 E200D192-R196 WeakPolarHBondContact O-CG 3.16Å; D192-R196 PolarHBondContact O-N 2.82Å; D192-R196 PolarHBondContact O-NE 2.96Å; A193-R196 PolarHBondContact O-N 3.05Å; R196-A198 VanDerWaalsContact C-N 3.3Å; R196-A198 PolarHBondContact O-N 2.94Å; R196-C199 WeakPolarHBondContact O-CB 3.23Å; R196-C199 PolarHBondContact O-N 2.73Å; R196-C199 VanDerWaalsContact O-N 3.13Å; R196-E200 WeakPolarHBondContact O-CG 3.36Å; R196-E200 PolarHBondContact O-N 3.38Å
197K96.9Very high96.3Very high91 Ų9149.5 Ų49.540%0.39625%0.248SC..Hα-helixtrans-58.2-42.4176-173.7-179.5175.3-173.10111.6A193 E194 V195 E200 R201 L267A193-K197 PolarHBondContact O-N 3.42Å; E194-K197 PolarHBondContact O-N 3.46Å; V195-K197 PolarHBondContact O-N 2.92Å; K197-E200 PolarHBondContact O-N 3.13Å; K197-R201 WeakPolarHBondContact O-CG 3.48Å; K197-R201 PolarHBondContact O-N 2.85Å; K197-L267 HydrophobicContact CD-CD2 4.39Å; K197-L267 HydrophobicContact CG-CD1 4.45Å
198A98.1Very high96.3Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-65.6-38.6176.700000112.5L187 L189 E194 V195 R196 R201 L202 F262 L267 L333L187-A198 HydrophobicContact CD2-CB 4.43Å; L189-A198 HydrophobicContact CD1-CB 3.61Å; L189-A198 HydrophobicContact CD2-CB 4.16Å; E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.37Å; V195-A198 PolarHBondContact O-N 2.94Å; R196-A198 VanDerWaalsContact C-N 3.3Å; R196-A198 PolarHBondContact O-N 2.94Å; A198-R201 PolarHBondContact O-N 2.95Å; A198-L202 PolarHBondContact O-N 2.86Å; A198-F262 HydrophobicContact CB-CE1 4.2Å; A198-F262 WeakPolarHBondContact O-CZ 3.28Å; A198-L267 HydrophobicContact CB-CD1 4.06Å; A198-L333 HydrophobicContact CB-CD2 3.69Å
199C98.3Very high96.4Very high24 Ų2449.6 Ų49.616%0.16225%0.245CC..Hα-helixtrans-64.4-42.3174.2-66.30000111.9V195 R196 L202 Q203 A348V195-C199 PolarHBondContact O-N 3.2Å; V195-C199 PolarHBondContact O-SG 3.48Å; R196-C199 WeakPolarHBondContact O-CB 3.23Å; R196-C199 PolarHBondContact O-N 2.73Å; R196-C199 VanDerWaalsContact O-N 3.13Å; C199-L202 WeakPolarHBondContact O-CB 3.46Å; C199-L202 PolarHBondContact O-N 2.8Å; C199-Q203 WeakPolarHBondContact O-CG 3.14Å; C199-Q203 PolarHBondContact O-N 3.14Å; C199-A348 PolarHBondContact SG-O 2.9Å
200E97.9Very high96.5Very high111 Ų11154.9 Ų54.952%0.51926%0.264SS..Hα-helixtrans-59.6-46.8175.1-70.9164-173.400111.2R196 K197 L202 Q203 E204R196-E200 WeakPolarHBondContact O-CG 3.36Å; R196-E200 PolarHBondContact O-N 3.38Å; K197-E200 PolarHBondContact O-N 3.13Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 3.29Å; E200-Q203 WeakPolarHBondContact O-CB 3.19Å; E200-Q203 PolarHBondContact O-N 2.88Å; E200-E204 PolarHBondContact O-N 2.96Å
201R97.9Very high96.6Very high77 Ų7760.4 Ų60.429%0.29129%0.294SS..Hα-helixtrans-61.6-37175.1-64.9-63.1149.9-175.6-0.7112.7K197 A198 Q203 E204 C205 H261 F262 A265 L267K197-R201 WeakPolarHBondContact O-CG 3.48Å; K197-R201 PolarHBondContact O-N 2.85Å; A198-R201 PolarHBondContact O-N 2.95Å; R201-Q203 VanDerWaalsContact C-N 3.32Å; R201-Q203 PolarHBondContact O-N 3.29Å; R201-E204 WeakPolarHBondContact CD-OE2 3.46Å; R201-E204 IonicContact CZ-OE1 2.93Å; R201-E204 IonicContact CZ-OE2 2.65Å; R201-E204 IonicContact NE-OE1 3.4Å; R201-E204 IonicContact NE-OE2 3.21Å; R201-E204 IonicContact NH1-OE1 3.37Å; R201-E204 PolarHBondContact NH1-OE1 3.19Å; R201-E204 IonicContact NH1-OE2 3.47Å; R201-E204 PolarHBondContact NH1-OE2 2.85Å; R201-E204 IonicContact NH2-OE1 3.13Å; R201-E204 PolarHBondContact O-N 2.93Å; R201-C205 PolarHBondContact O-N 3.13Å; R201-C205 PolarHBondContact O-SG 3.25Å; R201-H261 PolarHBondContact O-CD2 3.47Å; R201-H261 PolarHBondContact O-NE2 3.21Å; R201-F262 HydrophobicContact CB-CE1 4.32Å; R201-F262 HydrophobicContact CB-CE2 4.32Å; R201-F262 HydrophobicContact CB-CZ 4.05Å; R201-A265 HydrophobicContact CG-CB 3.99Å; R201-L267 HydrophobicContact CB-CD1 4.42Å; R201-L267 HydrophobicContact CG-CD1 3.96Å
202L98.3Very high96.9Very high0 Ų060.6 Ų60.60%030%0.295CS..Hα-helixtrans-63.6-39173.8-171.658.6000111.9L139 A198 C199 E200 C205 L258 F262 V331 L333 I351L139-L202 HydrophobicContact CD2-CD1 3.98Å; L139-L202 HydrophobicContact CD2-CD2 4.49Å; A198-L202 PolarHBondContact O-N 2.86Å; C199-L202 WeakPolarHBondContact O-CB 3.46Å; C199-L202 PolarHBondContact O-N 2.8Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 3.29Å; L202-C205 VanDerWaalsContact O-CB 3.32Å; L202-C205 WeakPolarHBondContact O-CB 3.43Å; L202-C205 PolarHBondContact O-N 3.26Å; L202-L258 HydrophobicContact CD1-CD2 4.12Å; L202-F262 HydrophobicContact CB-CE2 4.49Å; L202-F262 HydrophobicContact CB-CZ 4.06Å; L202-F262 HydrophobicContact CD1-CE2 4.36Å; L202-F262 HydrophobicContact CD1-CZ 4.49Å; L202-V331 HydrophobicContact CD1-CG1 3.95Å; L202-V331 HydrophobicContact CD1-CG2 4.43Å; L202-L333 HydrophobicContact CD2-CB 4.08Å; L202-I351 HydrophobicContact CD1-CD1 4.17Å; L202-I351 HydrophobicContact CD1-CG1 4.22Å; L202-I351 HydrophobicContact CG-CD1 4.48Å; L202-I351 HydrophobicContact CG-CG1 4.21Å; L202-I351 HydrophobicContact CG-CG2 4.26Å
203Q97.8Very high97Very high89 Ų8955.7 Ų55.742%0.41627%0.268SS..Hα-helixtrans-66-38.7176.9-65.7-56.2-43.200112.3C199 E200 R201 C205 Q206 S350C199-Q203 WeakPolarHBondContact O-CG 3.14Å; C199-Q203 PolarHBondContact O-N 3.14Å; E200-Q203 WeakPolarHBondContact O-CB 3.19Å; E200-Q203 PolarHBondContact O-N 2.88Å; R201-Q203 VanDerWaalsContact C-N 3.32Å; R201-Q203 PolarHBondContact O-N 3.29Å; Q203-C205 PolarHBondContact O-N 3.33Å; Q203-C205 VanDerWaalsContact O-N 3.17Å; Q203-Q206 WeakPolarHBondContact O-CB 3.31Å; Q203-Q206 PolarHBondContact O-N 2.84Å; Q203-S350 PolarHBondContact NE2-O 3.3Å
204E96.9Very high97.1Very high85 Ų8559.6 Ų59.640%0.39728%0.279SS..Hα-helixtrans-58.8-28.4175.9-68.8172.1-165.800112.4E200 R201 Q206 S207 H261E200-E204 PolarHBondContact O-N 2.96Å; R201-E204 WeakPolarHBondContact CD-OE2 3.46Å; R201-E204 IonicContact CZ-OE1 2.93Å; R201-E204 IonicContact CZ-OE2 2.65Å; R201-E204 IonicContact NE-OE1 3.4Å; R201-E204 IonicContact NE-OE2 3.21Å; R201-E204 IonicContact NH1-OE1 3.37Å; R201-E204 PolarHBondContact NH1-OE1 3.19Å; R201-E204 IonicContact NH1-OE2 3.47Å; R201-E204 PolarHBondContact NH1-OE2 2.85Å; R201-E204 IonicContact NH2-OE1 3.13Å; R201-E204 PolarHBondContact O-N 2.93Å; E204-Q206 PolarHBondContact O-N 2.96Å; E204-S207 PolarHBondContact O-OG 3.03Å; E204-H261 IonicContact OE2-CE1 2.7Å; E204-H261 PolarHBondContact OE2-CE1 2.9Å; E204-H261 VanDerWaalsContact OE2-CE1 3.3Å; E204-H261 IonicContact OE2-NE2 3.85Å; E204-H261 PolarHBondContact OE2-NE2 3.27Å
205C97.6Very high97.1Very high0 Ų059.3 Ų59.30%028%0.283CS..THydrogen-bonded Turntrans-70.7-14.7177.5-60.60000114.2R201 L202 Q203 S207 F208 I209 L258 H261 I351R201-C205 PolarHBondContact O-N 3.13Å; R201-C205 PolarHBondContact O-SG 3.25Å; L202-C205 VanDerWaalsContact O-CB 3.32Å; L202-C205 WeakPolarHBondContact O-CB 3.43Å; L202-C205 PolarHBondContact O-N 3.26Å; Q203-C205 PolarHBondContact O-N 3.33Å; Q203-C205 VanDerWaalsContact O-N 3.17Å; C205-S207 PolarHBondContact O-N 3.15Å; C205-F208 HydrophobicContact CB-CD1 4.23Å; C205-F208 HydrophobicContact CB-CE1 3.36Å; C205-F208 HydrophobicContact CB-CZ 3.56Å; C205-F208 WeakPolarHBondContact O-CD1 3.19Å; C205-F208 VanDerWaalsContact SG-CE1 3.59Å; C205-I209 HydrophobicContact CB-CD1 4.07Å; C205-I209 WeakPolarHBondContact O-CG1 3.36Å; C205-I209 PolarHBondContact O-N 2.71Å; C205-I209 VanDerWaalsContact O-N 3.14Å; C205-L258 HydrophobicContact CB-CD2 3.98Å; C205-H261 PolarHBondContact SG-CD2 3.12Å; C205-I351 HydrophobicContact CB-CD1 4.25Å
206Q96.3Very high97Very high74 Ų7464.3 Ų64.335%0.34630%0.303SS..Hα-helixtrans-58.7-37.6-175.7-172.6179.632.200112.3Q203 E204 I209 R210Q203-Q206 WeakPolarHBondContact O-CB 3.31Å; Q203-Q206 PolarHBondContact O-N 2.84Å; E204-Q206 PolarHBondContact O-N 2.96Å; Q206-I209 PolarHBondContact O-N 2.88Å; Q206-R210 HydrophobicContact CG-CG 4.24Å; Q206-R210 WeakPolarHBondContact O-CB 3.46Å; Q206-R210 VanDerWaalsContact O-CG 3.29Å; Q206-R210 WeakPolarHBondContact O-CG 3.46Å; Q206-R210 PolarHBondContact O-N 3.49Å
207S95.3Very high97.1Very high76 Ų7658.7 Ų58.753%0.53129%0.287SS..Hα-helixtrans-57.7-60.9-17956.50000111.9E204 C205 I209 R210 D211E204-S207 PolarHBondContact O-OG 3.03Å; C205-S207 PolarHBondContact O-N 3.15Å; S207-I209 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact O-N 2.72Å; S207-R210 PolarHBondContact O-N 3.03Å; S207-D211 VanDerWaalsContact O-CG 3.31Å; S207-D211 PolarHBondContact O-N 2.83Å
208F97.3Very high97.1Very high27 Ų2754.4 Ų54.412%0.11827%0.269CS..Hα-helixtrans-67.5-29.5-17875.2-107.8000112.6C205 D211 I212 R257 L258C205-F208 HydrophobicContact CB-CD1 4.23Å; C205-F208 HydrophobicContact CB-CE1 3.36Å; C205-F208 HydrophobicContact CB-CZ 3.56Å; C205-F208 WeakPolarHBondContact O-CD1 3.19Å; C205-F208 VanDerWaalsContact SG-CE1 3.59Å; F208-D211 PolarHBondContact O-N 2.92Å; F208-I212 HydrophobicContact CD2-CD1 3.9Å; F208-I212 WeakPolarHBondContact O-CD1 3.43Å; F208-I212 WeakPolarHBondContact O-CG1 3.32Å; F208-I212 PolarHBondContact O-N 3.18Å; F208-R257 HydrophobicContact CD2-CB 3.92Å; F208-R257 HydrophobicContact CE1-CB 4.4Å; F208-R257 HydrophobicContact CE2-CB 3.42Å; F208-R257 VanDerWaalsContact CE2-CB 3.42Å; F208-R257 HydrophobicContact CE2-CG 4.44Å; F208-R257 HydrophobicContact CZ-CB 3.72Å; F208-L258 HydrophobicContact CZ-CD2 4.25Å; F208-L258 HydrophobicContact CZ-CG 4.28Å
209I97.4Very high97.1Very high0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-65.4-48.3175.3-74.3168.4000109.5C205 Q206 S207 D211 I212 T213 I254 L258 V331 I351 F353C205-I209 HydrophobicContact CB-CD1 4.07Å; C205-I209 WeakPolarHBondContact O-CG1 3.36Å; C205-I209 PolarHBondContact O-N 2.71Å; C205-I209 VanDerWaalsContact O-N 3.14Å; Q206-I209 PolarHBondContact O-N 2.88Å; S207-I209 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact O-N 2.72Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 2.91Å; I209-I212 PolarHBondContact O-N 3.2Å; I209-T213 HydrophobicContact CG2-CG2 4.18Å; I209-T213 WeakPolarHBondContact O-CB 3.36Å; I209-T213 VanDerWaalsContact O-CG2 3.3Å; I209-T213 WeakPolarHBondContact O-CG2 3.49Å; I209-T213 PolarHBondContact O-N 3.27Å; I209-T213 PolarHBondContact O-OG1 3.2Å; I209-I254 HydrophobicContact CD1-CG2 4.34Å; I209-I254 HydrophobicContact CG1-CG2 4.15Å; I209-L258 HydrophobicContact CD1-CD2 4.09Å; I209-L258 HydrophobicContact CD1-CG 4.45Å; I209-V331 HydrophobicContact CD1-CG1 4.13Å; I209-I351 HydrophobicContact CD1-CD1 3.26Å; I209-I351 HydrophobicContact CD1-CG1 4.49Å; I209-I351 HydrophobicContact CG1-CD1 4.49Å; I209-F353 HydrophobicContact CG2-CB 4.31Å; I209-F353 HydrophobicContact CG2-CD1 3.41Å; I209-F353 VanDerWaalsContact CG2-CD1 3.41Å; I209-F353 HydrophobicContact CG2-CE1 3.87Å; I209-F353 HydrophobicContact CG2-CG 3.94Å
210R96.8Very high97.1Very high112 Ų11255.4 Ų55.442%0.42327%0.274SS..Hα-helixtrans-61.5-36.6176.7-72.1-177.776.8-112.1-1.6112.1Q206 S207 T213 E214 G215 F353Q206-R210 HydrophobicContact CG-CG 4.24Å; Q206-R210 WeakPolarHBondContact O-CB 3.46Å; Q206-R210 VanDerWaalsContact O-CG 3.29Å; Q206-R210 WeakPolarHBondContact O-CG 3.46Å; Q206-R210 PolarHBondContact O-N 3.49Å; S207-R210 PolarHBondContact O-N 3.03Å; R210-T213 PolarHBondContact O-N 3.37Å; R210-E214 CarbonylContact O-C 3.57Å; R210-E214 VanDerWaalsContact O-CA 3.24Å; R210-E214 WeakPolarHBondContact O-CA 3.4Å; R210-E214 PolarHBondContact O-N 2.74Å; R210-G215 PolarHBondContact O-N 2.68Å; R210-F353 WeakPolarHBondContact CG-O 3.26Å
211D97.1Very high97.1Very high123 Ų12353.4 Ų53.466%0.65827%0.265SS*.Hα-helixtrans-64.7-45175.2-66-21.2000111.4S207 F208 I209S207-D211 VanDerWaalsContact O-CG 3.31Å; S207-D211 PolarHBondContact O-N 2.83Å; F208-D211 PolarHBondContact O-N 2.92Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 2.91Å
212I97.3Very high97.1Very high25 Ų2549.9 Ų49.913%0.12825%0.252CS..Hα-helixtrans-66.9-40.8177.6-65.5161.1000110.7F208 I209 R250 V253 I254F208-I212 HydrophobicContact CD2-CD1 3.9Å; F208-I212 WeakPolarHBondContact O-CD1 3.43Å; F208-I212 WeakPolarHBondContact O-CG1 3.32Å; F208-I212 PolarHBondContact O-N 3.18Å; I209-I212 PolarHBondContact O-N 3.2Å; I212-R250 HydrophobicContact CG2-CB 3.86Å; I212-R250 HydrophobicContact CG2-CG 4.07Å; I212-R250 PolarHBondContact O-NE 3.22Å; I212-R250 PolarHBondContact O-NH2 3.49Å; I212-V253 HydrophobicContact CD1-CB 4.42Å; I212-V253 HydrophobicContact CD1-CG1 3.7Å; I212-V253 HydrophobicContact CG1-CG1 4.29Å; I212-I254 HydrophobicContact CB-CG1 4.19Å; I212-I254 HydrophobicContact CD1-CG1 3.84Å; I212-I254 HydrophobicContact CG2-CD1 4.03Å; I212-I254 HydrophobicContact CG2-CG1 3.84Å
213T96.5Very high97.1Very high1 Ų151.8 Ų51.81%0.00626%0.264CS..Hα-helixtrans-87.8-3-175.566.60000113.6I209 R210 G215 K216 R250 I254 F353I209-T213 HydrophobicContact CG2-CG2 4.18Å; I209-T213 WeakPolarHBondContact O-CB 3.36Å; I209-T213 VanDerWaalsContact O-CG2 3.3Å; I209-T213 WeakPolarHBondContact O-CG2 3.49Å; I209-T213 PolarHBondContact O-N 3.27Å; I209-T213 PolarHBondContact O-OG1 3.2Å; R210-T213 PolarHBondContact O-N 3.37Å; T213-G215 PolarHBondContact O-N 2.97Å; T213-G215 PolarHBondContact OG1-N 3.2Å; T213-K216 VanDerWaalsContact CB-O 3.29Å; T213-K216 WeakPolarHBondContact CB-O 3.04Å; T213-K216 PolarHBondContact O-N 2.73Å; T213-K216 VanDerWaalsContact O-N 3.1Å; T213-R250 PolarHBondContact O-NH2 3.17Å; T213-R250 VanDerWaalsContact O-NH2 3.07Å; T213-I254 HydrophobicContact CG2-CD1 3.71Å; T213-F353 HydrophobicContact CG2-CB 4.05Å; T213-F353 HydrophobicContact CG2-CD2 3.81Å; T213-F353 HydrophobicContact CG2-CE2 4.45Å; T213-F353 HydrophobicContact CG2-CG 4.02Å; T213-F353 PolarHBondContact OG1-O 2.82Å
214E95.9Very high97.1Very high132 Ų13247.6 Ų47.662%0.61724%0.244SC*.THydrogen-bonded Turntrans53.531.2-170.9-57.5172.9-173.300112.7R210 K216R210-E214 CarbonylContact O-C 3.57Å; R210-E214 VanDerWaalsContact O-CA 3.24Å; R210-E214 WeakPolarHBondContact O-CA 3.4Å; R210-E214 PolarHBondContact O-N 2.74Å; E214-K216 VanDerWaalsContact C-N 3.25Å; E214-K216 PolarHBondContact O-N 3.07Å
215G94.8Very high97.2Very high21 Ų2143.9 Ų43.922%0.21623%0.227CC..THydrogen-bonded Turntrans64.824.8-176.700000114.2R210 T213 F353 S354R210-G215 PolarHBondContact O-N 2.68Å; T213-G215 PolarHBondContact O-N 2.97Å; T213-G215 PolarHBondContact OG1-N 3.2Å; G215-F353 WeakPolarHBondContact CA-O 3.18Å; G215-S354 WeakPolarHBondContact O-CA 3.42Å; G215-S354 WeakPolarHBondContact O-CB 3.23Å
216K96.3Very high97.2Very high124 Ų12447.8 Ų47.854%0.53925%0.245SC..SBendtrans-120.8155.4178.9-65.5173.5-171.3162.10111.1T213 E214T213-K216 VanDerWaalsContact CB-O 3.29Å; T213-K216 WeakPolarHBondContact CB-O 3.04Å; T213-K216 PolarHBondContact O-N 2.73Å; T213-K216 VanDerWaalsContact O-N 3.1Å; E214-K216 VanDerWaalsContact C-N 3.25Å; E214-K216 PolarHBondContact O-N 3.07Å
217P97.7Very high97.2Very high41 Ų4147.2 Ų47.227%0.26624%0.241SC..  trans-55.2146.1164.5-23.334.2000111.2P219 E327 L328 N329P217-P219 WeakPolarHBondContact O-CD 3.29Å; P217-E327 HydrophobicContact CB-CB 3.76Å; P217-E327 HydrophobicContact CB-CG 4.43Å; P217-L328 CarbonylContact C-O 3.53Å; P217-L328 WeakPolarHBondContact CA-O 3.2Å; P217-N329 HydrophobicContact CB-CB 4.12Å; P217-N329 HydrophobicContact CG-CB 4.23Å
218L97.6Very high96.9Very high1 Ų145.2 Ų45.21%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-94114.7-179-168.564.5000109.6L220 V244 R250 L251 I254 L328 F353L218-L220 HydrophobicContact CD2-CD2 3.94Å; L218-L220 HydrophobicContact CG-CD2 3.92Å; L218-L220 PolarHBondContact O-N 3.49Å; L218-V244 HydrophobicContact CD1-CG1 3.72Å; L218-V244 HydrophobicContact CD1-CG2 4.3Å; L218-V244 HydrophobicContact CD2-CG2 3.95Å; L218-V244 HydrophobicContact CG-CG1 4.05Å; L218-V244 HydrophobicContact CG-CG2 4.19Å; L218-R250 HydrophobicContact CD1-CB 4.11Å; L218-R250 HydrophobicContact CD2-CB 4.42Å; L218-L251 HydrophobicContact CD2-CB 4.05Å; L218-L251 HydrophobicContact CD2-CD1 4.24Å; L218-I254 HydrophobicContact CD2-CD1 4.29Å; L218-L328 PolarHBondContact N-O 2.82Å; L218-L328 PolarHBondContact O-N 2.97Å; L218-F353 HydrophobicContact CB-CD2 4.24Å; L218-F353 HydrophobicContact CB-CE2 4.25Å
219P98Very high96.3Very high44 Ų4448.9 Ų48.929%0.28624%0.244SC..EExtended strand (participates in β ladder)trans-71.2114.8179.4-17.132.1000110.5P217 V244 K245P217-P219 WeakPolarHBondContact O-CD 3.29Å; P219-V244 WeakPolarHBondContact O-CA 3.42Å; P219-V244 WeakPolarHBondContact O-CG1 3.39Å; P219-K245 HydrophobicContact CB-CB 4.32Å; P219-K245 HydrophobicContact CB-CD 3.99Å; P219-K245 HydrophobicContact CB-CG 4.2Å; P219-K245 PolarHBondContact O-N 3.17Å
220L98.3Very high95.9Very high0 Ų056.5 Ų56.50%029%0.285CS..EExtended strand (participates in β ladder)trans-108.8152-179.4-59.3-169.5000111.9L218 V242 G243 V244 L251 E325 F326 L328L218-L220 HydrophobicContact CD2-CD2 3.94Å; L218-L220 HydrophobicContact CG-CD2 3.92Å; L218-L220 PolarHBondContact O-N 3.49Å; L220-V242 HydrophobicContact CB-CG1 4.27Å; L220-V242 HydrophobicContact CD1-CG1 3.83Å; L220-G243 VanDerWaalsContact CA-O 3.32Å; L220-G243 WeakPolarHBondContact CA-O 3.23Å; L220-V244 HydrophobicContact CD2-CB 4.42Å; L220-V244 HydrophobicContact CD2-CG2 3.98Å; L220-L251 HydrophobicContact CD1-CD1 4.31Å; L220-L251 HydrophobicContact CD1-CD2 4.24Å; L220-L251 HydrophobicContact CD2-CD1 4.47Å; L220-L251 HydrophobicContact CD2-CD2 4.09Å; L220-E325 WeakPolarHBondContact O-CA 3.29Å; L220-F326 HydrophobicContact CB-CD1 4.28Å; L220-F326 HydrophobicContact CB-CE1 3.88Å; L220-F326 HydrophobicContact CB-CZ 4.33Å; L220-F326 HydrophobicContact CD1-CE1 4.19Å; L220-F326 HydrophobicContact CD1-CZ 3.9Å; L220-F326 PolarHBondContact N-O 3.05Å; L220-F326 PolarHBondContact O-N 2.85Å; L220-F326 VanDerWaalsContact O-N 3.11Å; L220-L328 HydrophobicContact CD1-CB 3.58Å; L220-L328 HydrophobicContact CD1-CD2 3.7Å; L220-L328 HydrophobicContact CD1-CG 4.2Å; L220-L328 HydrophobicContact CG-CB 3.92Å
221E98Very high95.9Very high70 Ų7055 Ų5533%0.32729%0.286SS..EExtended strand (participates in β ladder)trans-121.3131.5167.5-175.4-176.6-179.200109T223 V242 G243 K245 E325E221-T223 VanDerWaalsContact CD-OG1 3.3Å; E221-T223 VanDerWaalsContact CG-OG1 3.25Å; E221-T223 WeakPolarHBondContact CG-OG1 3.05Å; E221-T223 WeakPolarHBondContact OE1-CB 3.41Å; E221-T223 PolarHBondContact OE1-OG1 2.97Å; E221-V242 WeakPolarHBondContact O-CA 3.21Å; E221-G243 PolarHBondContact N-O 3.29Å; E221-G243 PolarHBondContact O-N 3.13Å; E221-K245 HydrophobicContact CB-CG 4.32Å; E221-E325 HydrophobicContact CB-CG 4.35Å; E221-E325 HydrophobicContact CG-CG 4.07Å
222V98.5Very high95.8Very high3 Ų350.9 Ų50.92%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-105.793.1175-173.50000107.5V148 A240 K241 V242 F323 G324 F326V148-V222 HydrophobicContact CG1-CG2 4.29Å; V148-V222 HydrophobicContact CG2-CG2 4.07Å; V222-A240 HydrophobicContact CG1-CB 3.71Å; V222-K241 WeakPolarHBondContact CA-O 3.48Å; V222-V242 HydrophobicContact CG1-CG2 4.22Å; V222-V242 HydrophobicContact CG2-CG1 4.39Å; V222-V242 HydrophobicContact CG2-CG2 4.13Å; V222-F323 HydrophobicContact CB-CB 4.01Å; V222-F323 HydrophobicContact CG1-CB 3.76Å; V222-F323 HydrophobicContact CG1-CD2 3.87Å; V222-F323 HydrophobicContact CG1-CG 4.03Å; V222-F323 WeakPolarHBondContact O-CB 3.38Å; V222-F323 PolarHBondContact O-N 2.84Å; V222-G324 PolarHBondContact N-O 2.78Å; V222-F326 HydrophobicContact CG2-CD1 4.42Å; V222-F326 HydrophobicContact CG2-CE1 3.97Å
223T98Very high95.8Very high39 Ų3950.7 Ų50.724%0.23927%0.267CS..EExtended strand (participates in β ladder)trans-139133.4-173.6-68.20000112E221 K241 Y321 S322E221-T223 VanDerWaalsContact CD-OG1 3.3Å; E221-T223 VanDerWaalsContact CG-OG1 3.25Å; E221-T223 WeakPolarHBondContact CG-OG1 3.05Å; E221-T223 WeakPolarHBondContact OE1-CB 3.41Å; E221-T223 PolarHBondContact OE1-OG1 2.97Å; T223-K241 PolarHBondContact N-O 3.43Å; T223-K241 WeakPolarHBondContact O-CB 3.48Å; T223-Y321 CarbonylContact C-O 3.59Å; T223-Y321 WeakPolarHBondContact CA-O 3.39Å; T223-S322 PolarHBondContact OG1-OG 3.24Å; T223-S322 VanDerWaalsContact OG1-OG 3.13Å
224G98.3Very high95.7Very high1 Ų155.6 Ų55.61%0.0129%0.291CS..EExtended strand (participates in β ladder)trans82.7161.9179.900000113.6A240 K241 A319 Y321G224-A240 WeakPolarHBondContact O-CA 3.38Å; G224-K241 PolarHBondContact O-N 3.35Å; G224-A319 CarbonylContact C-O 3.48Å; G224-A319 WeakPolarHBondContact CA-O 3.48Å; G224-Y321 PolarHBondContact N-O 3.1Å
225I98.4Very high95.8Very high7 Ų749.3 Ų49.34%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-128.5148.8-176.857.7173.4000111.4F155 L238 Y239 I314 L315 F318 A319 F323F155-I225 HydrophobicContact CE2-CD1 4.38Å; F155-I225 HydrophobicContact CE2-CG2 4.3Å; F155-I225 HydrophobicContact CZ-CD1 4.49Å; F155-I225 HydrophobicContact CZ-CG2 4.37Å; I225-L238 HydrophobicContact CB-CD1 4.39Å; I225-L238 HydrophobicContact CB-CG 4.42Å; I225-L238 HydrophobicContact CD1-CD1 4.32Å; I225-L238 HydrophobicContact CD1-CD2 4.15Å; I225-Y239 WeakPolarHBondContact CA-O 3.11Å; I225-I314 HydrophobicContact CD1-CG2 3.81Å; I225-L315 HydrophobicContact CD1-CD2 4.08Å; I225-L315 HydrophobicContact CG1-CD2 4.12Å; I225-F318 HydrophobicContact CD1-CB 3.9Å; I225-F318 WeakPolarHBondContact CG1-O 3.35Å; I225-A319 PolarHBondContact N-O 3.32Å; I225-F323 HydrophobicContact CG2-CE2 3.72Å; I225-F323 HydrophobicContact CG2-CZ 3.71Å
226E97.5Very high95.8Very high82 Ų8249.4 Ų49.438%0.38326%0.257SS..EExtended strand (participates in β ladder)trans-142.2174.7171.4-77.4179.7-17300108.8L238 Y239 K241E226-L238 WeakPolarHBondContact O-CA 3.2Å; E226-L238 VanDerWaalsContact O-CD1 3.26Å; E226-L238 WeakPolarHBondContact O-CD1 3.45Å; E226-Y239 HydrophobicContact CB-CD2 4.19Å; E226-Y239 HydrophobicContact CB-CE1 4.07Å; E226-Y239 HydrophobicContact CB-CE2 3.47Å; E226-Y239 VanDerWaalsContact CB-CE2 3.47Å; E226-Y239 WeakPolarHBondContact CB-OH 3.32Å; E226-Y239 HydrophobicContact CG-CE2 4.44Å; E226-Y239 PolarHBondContact N-O 3.07Å; E226-Y239 PolarHBondContact O-N 3.06Å; E226-Y239 PolarHBondContact OE2-OH 3.28Å; E226-K241 HydrophobicContact CG-CD 4.02Å; E226-K241 HydrophobicContact CG-CG 4.32Å; E226-K241 WeakPolarHBondContact OE1-CD 3.17Å
227Y96.9Very high95.8Very high62 Ų6244.3 Ų44.324%0.24324%0.237CC..EExtended strand (participates in β ladder)trans-130.5160.8-178.257.3-77.6000111.4N229 P232 V235 V237 Y239 L315Y227-N229 VanDerWaalsContact CD2-O 3.27Å; Y227-N229 WeakPolarHBondContact CD2-O 3.46Å; Y227-N229 WeakPolarHBondContact CE2-O 3.45Å; Y227-P232 HydrophobicContact CE1-CB 4.18Å; Y227-P232 HydrophobicContact CE2-CB 4.24Å; Y227-V235 HydrophobicContact CD2-CG2 3.73Å; Y227-V235 HydrophobicContact CE2-CG2 4.44Å; Y227-V235 HydrophobicContact CG-CG2 3.97Å; Y227-V237 CarbonylContact C-O 3.31Å; Y227-V237 WeakPolarHBondContact CA-O 3.26Å; Y227-V237 WeakPolarHBondContact CB-O 3.12Å; Y227-Y239 VanDerWaalsContact C-CE1 3.45Å; Y227-Y239 WeakPolarHBondContact O-CE1 3.32Å; Y227-L315 HydrophobicContact CD1-CD1 3.66Å; Y227-L315 HydrophobicContact CD1-CD2 4.05Å; Y227-L315 HydrophobicContact CD1-CG 4.47Å; Y227-L315 HydrophobicContact CE1-CD1 3.57Å; Y227-L315 HydrophobicContact CE1-CD2 4.49Å
228M88.8Confident95.9Very high35 Ų3542.4 Ų42.417%0.17222%0.224CC..SBendtrans-86.9145.9168.9-60.4-65.8-175.600109.4V237 Y239 K276 H278M228-V237 HydrophobicContact CB-CB 3.93Å; M228-V237 HydrophobicContact CG-CB 3.65Å; M228-V237 HydrophobicContact CG-CG1 3.89Å; M228-V237 HydrophobicContact CG-CG2 4.34Å; M228-V237 PolarHBondContact N-O 3.18Å; M228-Y239 HydrophobicContact CE-CD1 3.76Å; M228-Y239 HydrophobicContact CE-CE1 3.74Å; M228-Y239 HydrophobicContact CG-CD1 4.11Å; M228-Y239 HydrophobicContact CG-CE1 4.08Å; M228-Y239 HydrophobicContact SD-CD1 4.14Å; M228-Y239 HydrophobicContact SD-CE1 3.7Å; M228-K276 HydrophobicContact CE-CD 4.08Å; M228-K276 HydrophobicContact SD-CD 4.11Å; M228-K276 PolarHBondContact SD-NZ 2.8Å; M228-H278 HydrophobicContact CE-CB 4.01Å; M228-H278 WeakPolarHBondContact CE-CD2 3.44Å; M228-H278 VanDerWaalsContact CE-CG 3.42Å
229N85.4Confident95.9Very high103 Ų10342.7 Ų42.755%0.55123%0.225SC*.SBendtrans75177.7-175.1-42.3-34.2000113.8Y227Y227-N229 VanDerWaalsContact CD2-O 3.27Å; Y227-N229 WeakPolarHBondContact CD2-O 3.46Å; Y227-N229 WeakPolarHBondContact CE2-O 3.45Å
230D88.5Confident95.9Very high160 Ų16040.7 Ų40.786%0.85621%0.213SC*.SBendtrans-97.3-20.9-164.9-61-30.2000114.9P232D230-P232 WeakPolarHBondContact O-CD 3.49Å
231D95.3Very high95.9Very high82 Ų8244.2 Ų44.244%0.43923%0.228SC..  trans-103.3111.1-176-173.9-1.8000111.9A233 M234D231-A233 PolarHBondContact O-N 3.19Å; D231-A233 WeakPolarHBondContact OD1-CB 3.39Å; D231-A233 PolarHBondContact OD1-N 3.42Å; D231-M234 HydrophobicContact CB-CB 4.34Å; D231-M234 CarbonylContact O-C 3.51Å; D231-M234 PolarHBondContact O-N 2.86Å
232P96Very high95.9Very high36 Ų3641.9 Ų41.923%0.23422%0.218CC..THydrogen-bonded Turntrans-69.1-10.6178.629.6-35.3000113.8Y227 D230 A311 R312 L315Y227-P232 HydrophobicContact CE1-CB 4.18Å; Y227-P232 HydrophobicContact CE2-CB 4.24Å; D230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-A311 PolarHBondContact O-N 3.32Å; P232-R312 HydrophobicContact CB-CG 3.94Å; P232-R312 HydrophobicContact CG-CG 4.04Å; P232-R312 PolarHBondContact O-N 2.99Å; P232-L315 HydrophobicContact CB-CD1 3.72Å
233A96.9Very high95.9Very high20 Ų2043.4 Ų43.417%0.16524%0.235CC..THydrogen-bonded Turntrans-84.1-15.8171.800000113D231 D310D231-A233 PolarHBondContact O-N 3.19Å; D231-A233 WeakPolarHBondContact OD1-CB 3.39Å; D231-A233 PolarHBondContact OD1-N 3.42Å; A233-D310 WeakPolarHBondContact O-CA 3.48Å
234M95.3Very high95.8Very high104 Ų10442.1 Ų42.151%0.51223%0.227SC..SBendtrans-133.263.1-174.5-64.8-62.3-68.500110.4D231 A308D231-M234 HydrophobicContact CB-CB 4.34Å; D231-M234 CarbonylContact O-C 3.51Å; D231-M234 PolarHBondContact O-N 2.86Å; M234-A308 HydrophobicContact CB-CB 4.28Å; M234-A308 HydrophobicContact CE-CB 3.78Å; M234-A308 HydrophobicContact SD-CB 4.27Å
235V96.5Very high95.7Very high0 Ų046.8 Ų46.80%025%0.247CC..BIsolated β-bridgetrans-92.8135.6-176.3178.10000111.5Y227 V237 A308 F309 A311Y227-V235 HydrophobicContact CD2-CG2 3.73Å; Y227-V235 HydrophobicContact CE2-CG2 4.44Å; Y227-V235 HydrophobicContact CG-CG2 3.97Å; V235-V237 WeakPolarHBondContact CG1-O 3.46Å; V235-A308 WeakPolarHBondContact O-CA 3.39Å; V235-F309 HydrophobicContact CB-CD1 4.48Å; V235-F309 HydrophobicContact CB-CE1 4.14Å; V235-F309 HydrophobicContact CB-CE2 4.18Å; V235-F309 HydrophobicContact CB-CZ 3.99Å; V235-F309 HydrophobicContact CG1-CE1 3.81Å; V235-F309 HydrophobicContact CG1-CE2 4.12Å; V235-F309 HydrophobicContact CG1-CZ 3.53Å; V235-F309 PolarHBondContact N-O 3.33Å; V235-F309 WeakPolarHBondContact O-CD1 2.99Å; V235-F309 WeakPolarHBondContact O-CE1 3.29Å; V235-F309 PolarHBondContact O-N 3.47Å; V235-A311 HydrophobicContact CB-CB 4.14Å; V235-A311 HydrophobicContact CG2-CB 3.67Å
236D95.6Very high95.6Very high23 Ų2351.2 Ų51.212%0.12327%0.27CS..SBendtrans-96.9-34.5169.6-93.8-26.7000112.7N283 T284 R306D236-N283 CarbonylContact O-C 3.58Å; D236-N283 VanDerWaalsContact O-CA 3.29Å; D236-N283 WeakPolarHBondContact O-CA 3.28Å; D236-T284 PolarHBondContact O-N 3.5Å; D236-T284 PolarHBondContact O-OG1 3.37Å; D236-T284 PolarHBondContact OD1-OG1 3.43Å; D236-R306 VanDerWaalsContact OD2-CD 3.32Å; D236-R306 WeakPolarHBondContact OD2-CD 3.44Å; D236-R306 IonicContact OD2-CZ 3.22Å; D236-R306 IonicContact OD2-NH1 3.78Å; D236-R306 PolarHBondContact OD2-NH1 3.03Å
237V97.4Very high95.4Very high18 Ų1850.5 Ų50.511%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-137.5123.5-174-176.30000109.8Y227 M228 V235 T280 M282Y227-V237 CarbonylContact C-O 3.31Å; Y227-V237 WeakPolarHBondContact CA-O 3.26Å; Y227-V237 WeakPolarHBondContact CB-O 3.12Å; M228-V237 HydrophobicContact CB-CB 3.93Å; M228-V237 HydrophobicContact CG-CB 3.65Å; M228-V237 HydrophobicContact CG-CG1 3.89Å; M228-V237 HydrophobicContact CG-CG2 4.34Å; M228-V237 PolarHBondContact N-O 3.18Å; V235-V237 WeakPolarHBondContact CG1-O 3.46Å; V237-T280 HydrophobicContact CG1-CG2 3.98Å; V237-M282 WeakPolarHBondContact CA-O 3.48Å
238L98.4Very high95.4Very high0 Ų049.3 Ų49.30%029%0.286CS..EExtended strand (participates in β ladder)trans-107.4135.5165.7-170.381.4000108.1F155 I225 E226 V281 M282 F309 I314 L315F155-L238 HydrophobicContact CZ-CD2 3.99Å; I225-L238 HydrophobicContact CB-CD1 4.39Å; I225-L238 HydrophobicContact CB-CG 4.42Å; I225-L238 HydrophobicContact CD1-CD1 4.32Å; I225-L238 HydrophobicContact CD1-CD2 4.15Å; E226-L238 WeakPolarHBondContact O-CA 3.2Å; E226-L238 VanDerWaalsContact O-CD1 3.26Å; E226-L238 WeakPolarHBondContact O-CD1 3.45Å; L238-V281 HydrophobicContact CB-CG2 4.18Å; L238-V281 HydrophobicContact CD2-CG2 3.99Å; L238-V281 HydrophobicContact CG-CG2 4.04Å; L238-V281 WeakPolarHBondContact O-CG2 3.4Å; L238-V281 PolarHBondContact O-N 2.71Å; L238-M282 HydrophobicContact CB-CB 4.04Å; L238-M282 HydrophobicContact CB-CG 4.48Å; L238-M282 HydrophobicContact CB-SD 4.47Å; L238-M282 HydrophobicContact CD2-CG 4.39Å; L238-M282 HydrophobicContact CD2-SD 3.69Å; L238-M282 PolarHBondContact N-O 2.99Å; L238-M282 PolarHBondContact O-N 2.92Å; L238-F309 HydrophobicContact CB-CZ 3.92Å; L238-I314 HydrophobicContact CD2-CG2 3.94Å; L238-L315 HydrophobicContact CD1-CD2 4.06Å
239Y98.6Very high95.8Very high8 Ų853 Ų533%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-132.2147.6-178.962-97.4000111.8I225 E226 Y227 M228 K276 H278 G279I225-Y239 WeakPolarHBondContact CA-O 3.11Å; E226-Y239 HydrophobicContact CB-CD2 4.19Å; E226-Y239 HydrophobicContact CB-CE1 4.07Å; E226-Y239 HydrophobicContact CB-CE2 3.47Å; E226-Y239 VanDerWaalsContact CB-CE2 3.47Å; E226-Y239 WeakPolarHBondContact CB-OH 3.32Å; E226-Y239 HydrophobicContact CG-CE2 4.44Å; E226-Y239 PolarHBondContact N-O 3.07Å; E226-Y239 PolarHBondContact O-N 3.06Å; E226-Y239 PolarHBondContact OE2-OH 3.28Å; Y227-Y239 VanDerWaalsContact C-CE1 3.45Å; Y227-Y239 WeakPolarHBondContact O-CE1 3.32Å; M228-Y239 HydrophobicContact CE-CD1 3.76Å; M228-Y239 HydrophobicContact CE-CE1 3.74Å; M228-Y239 HydrophobicContact CG-CD1 4.11Å; M228-Y239 HydrophobicContact CG-CE1 4.08Å; M228-Y239 HydrophobicContact SD-CD1 4.14Å; M228-Y239 HydrophobicContact SD-CE1 3.7Å; Y239-K276 WeakPolarHBondContact OH-CE 3.08Å; Y239-K276 PolarHBondContact OH-NZ 3Å; Y239-K276 VanDerWaalsContact OH-NZ 3.11Å; Y239-H278 HydrophobicContact CD1-CB 4.06Å; Y239-H278 HydrophobicContact CD2-CB 3.45Å; Y239-H278 VanDerWaalsContact CD2-CB 3.45Å; Y239-H278 HydrophobicContact CE1-CB 4.48Å; Y239-H278 HydrophobicContact CE2-CB 3.95Å; Y239-H278 HydrophobicContact CG-CB 3.52Å; Y239-G279 CarbonylContact C-O 3.56Å; Y239-G279 VanDerWaalsContact CA-O 3.25Å; Y239-G279 WeakPolarHBondContact CA-O 3.46Å; Y239-G279 WeakPolarHBondContact CB-O 3.19Å
240A98.4Very high96.4Very high2 Ų250.5 Ų50.52%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-79.1142.8168.200000110.3V222 G224 G279 V281 F323V222-A240 HydrophobicContact CG1-CB 3.71Å; G224-A240 WeakPolarHBondContact O-CA 3.38Å; A240-G279 PolarHBondContact N-O 2.8Å; A240-G279 PolarHBondContact O-N 2.82Å; A240-V281 HydrophobicContact CB-CG1 3.86Å; A240-F323 HydrophobicContact CB-CD2 3.87Å; A240-F323 HydrophobicContact CB-CE2 3.58Å; A240-F323 HydrophobicContact CB-CZ 4.1Å
241K98.1Very high96.8Very high74 Ų7443.1 Ų43.132%0.32225%0.25SC..EExtended strand (participates in β ladder)trans-83148.5170.7-61.3-179.7-69.8-169.10109.7V222 T223 G224 E226V222-K241 WeakPolarHBondContact CA-O 3.48Å; T223-K241 PolarHBondContact N-O 3.43Å; T223-K241 WeakPolarHBondContact O-CB 3.48Å; G224-K241 PolarHBondContact O-N 3.35Å; E226-K241 HydrophobicContact CG-CD 4.02Å; E226-K241 HydrophobicContact CG-CG 4.32Å; E226-K241 WeakPolarHBondContact OE1-CD 3.17Å
242V97.9Very high97Very high21 Ų2140.4 Ų40.413%0.12723%0.234CC..EExtended strand (participates in β ladder)trans-132.6129.1179.6-173.90000108.8L143 L182 L220 E221 V222 L251L143-V242 HydrophobicContact CD1-CG2 3.82Å; L143-V242 HydrophobicContact CD2-CG1 4.33Å; L143-V242 HydrophobicContact CD2-CG2 4.2Å; L182-V242 HydrophobicContact CD1-CB 4.17Å; L182-V242 HydrophobicContact CD1-CG1 4.19Å; L182-V242 HydrophobicContact CD1-CG2 4.34Å; L182-V242 HydrophobicContact CD2-CB 4.3Å; L182-V242 HydrophobicContact CD2-CG2 3.79Å; L182-V242 HydrophobicContact CG-CG2 4.42Å; L220-V242 HydrophobicContact CB-CG1 4.27Å; L220-V242 HydrophobicContact CD1-CG1 3.83Å; E221-V242 WeakPolarHBondContact O-CA 3.21Å; V222-V242 HydrophobicContact CG1-CG2 4.22Å; V222-V242 HydrophobicContact CG2-CG1 4.39Å; V222-V242 HydrophobicContact CG2-CG2 4.13Å; V242-L251 HydrophobicContact CB-CD2 4.45Å; V242-L251 HydrophobicContact CG1-CD2 3.93Å
243G96.9Very high97.1Very high35 Ų3541.4 Ų41.436%0.36124%0.24SC..EExtended strand (participates in β ladder)trans-133.2161.4178.600000111.7L220 E221L220-G243 VanDerWaalsContact CA-O 3.32Å; L220-G243 WeakPolarHBondContact CA-O 3.23Å; E221-G243 PolarHBondContact N-O 3.29Å; E221-G243 PolarHBondContact O-N 3.13Å
244V97.5Very high97.1Very high11 Ų1140.5 Ų40.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-80.5137168.7-167.10000108.2L218 P219 L220 D246 G247 S248 R250 L251L218-V244 HydrophobicContact CD1-CG1 3.72Å; L218-V244 HydrophobicContact CD1-CG2 4.3Å; L218-V244 HydrophobicContact CD2-CG2 3.95Å; L218-V244 HydrophobicContact CG-CG1 4.05Å; L218-V244 HydrophobicContact CG-CG2 4.19Å; P219-V244 WeakPolarHBondContact O-CA 3.42Å; P219-V244 WeakPolarHBondContact O-CG1 3.39Å; L220-V244 HydrophobicContact CD2-CB 4.42Å; L220-V244 HydrophobicContact CD2-CG2 3.98Å; V244-D246 WeakPolarHBondContact CG1-OD1 3.45Å; V244-D246 PolarHBondContact O-N 2.95Å; V244-D246 VanDerWaalsContact O-N 3.17Å; V244-G247 PolarHBondContact O-N 2.9Å; V244-S248 WeakPolarHBondContact CG2-O 3.47Å; V244-R250 HydrophobicContact CG2-CB 4.47Å; V244-L251 HydrophobicContact CG2-CB 3.72Å
245K96.1Very high97.3Very high100 Ų10035.5 Ų35.544%0.43521%0.207SC..THydrogen-bonded Turntrans-57.9-31.3-175.9-75.9-168.1170.2-162.10114.9P219 E221 G247 E325P219-K245 HydrophobicContact CB-CB 4.32Å; P219-K245 HydrophobicContact CB-CD 3.99Å; P219-K245 HydrophobicContact CB-CG 4.2Å; P219-K245 PolarHBondContact O-N 3.17Å; E221-K245 HydrophobicContact CB-CG 4.32Å; K245-G247 PolarHBondContact O-N 3.31Å; K245-E325 WeakPolarHBondContact CE-OE1 3.24Å; K245-E325 WeakPolarHBondContact CE-OE2 3.32Å; K245-E325 IonicContact NZ-OE1 3.8Å; K245-E325 PolarHBondContact NZ-OE1 3.4Å; K245-E325 VanDerWaalsContact NZ-OE1 3.12Å; K245-E325 IonicContact NZ-OE2 3.12Å; K245-E325 PolarHBondContact NZ-OE2 3.31Å
246D94.8Very high97.3Very high99 Ų9937.4 Ų37.453%0.52922%0.216SC..THydrogen-bonded Turntrans-80.41.5178.464.17.5000113.1V244 S248V244-D246 WeakPolarHBondContact CG1-OD1 3.45Å; V244-D246 PolarHBondContact O-N 2.95Å; V244-D246 VanDerWaalsContact O-N 3.17Å; D246-S248 PolarHBondContact O-N 3.14Å; D246-S248 WeakPolarHBondContact OD1-CB 3.3Å; D246-S248 PolarHBondContact OD1-N 3.29Å; D246-S248 PolarHBondContact OD1-OG 3.24Å; D246-S248 PolarHBondContact OD2-OG 2.66Å
247G94.8Very high97.4Very high68 Ų6841.6 Ų41.670%0.70123%0.23SC*.  trans73.87.9-17800000114.2V244 K245V244-G247 PolarHBondContact O-N 2.9Å; K245-G247 PolarHBondContact O-N 3.31Å
248S96.8Very high97.5Very high36 Ų3640.7 Ų40.725%0.25223%0.225SC..  trans-76.3155.217970.20000112.9V244 D246 R250V244-S248 WeakPolarHBondContact CG2-O 3.47Å; D246-S248 PolarHBondContact O-N 3.14Å; D246-S248 WeakPolarHBondContact OD1-CB 3.3Å; D246-S248 PolarHBondContact OD1-N 3.29Å; D246-S248 PolarHBondContact OD1-OG 3.24Å; D246-S248 PolarHBondContact OD2-OG 2.66Å; S248-R250 PolarHBondContact O-N 2.95Å; S248-R250 WeakPolarHBondContact OG-CD 3.25Å; S248-R250 VanDerWaalsContact OG-CG 3.3Å; S248-R250 WeakPolarHBondContact OG-CG 3.44Å
249D96.6Very high97.4Very high112 Ų11241 Ų4160%0.59923%0.227SC*.SBendtrans-82.613.5175.6-78.1-33.1000113.5L251 Q252 V253D249-L251 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 3.45Å; D249-L251 VanDerWaalsContact O-N 3.16Å; D249-Q252 HydrophobicContact CB-CB 4.49Å; D249-Q252 WeakPolarHBondContact O-CA 3.16Å; D249-Q252 WeakPolarHBondContact O-CB 3.49Å; D249-Q252 PolarHBondContact O-N 2.65Å; D249-V253 WeakPolarHBondContact O-CG2 3.39Å; D249-V253 PolarHBondContact O-N 2.94Å
250R97.6Very high97.4Very high52 Ų5246.2 Ų46.220%0.19625%0.251CS..Hα-helixtrans-54.6-41.1-173.7-68.7168.482.2-179.613.3112.5I212 T213 L218 V244 S248 V253 I254I212-R250 HydrophobicContact CG2-CB 3.86Å; I212-R250 HydrophobicContact CG2-CG 4.07Å; I212-R250 PolarHBondContact O-NE 3.22Å; I212-R250 PolarHBondContact O-NH2 3.49Å; T213-R250 PolarHBondContact O-NH2 3.17Å; T213-R250 VanDerWaalsContact O-NH2 3.07Å; L218-R250 HydrophobicContact CD1-CB 4.11Å; L218-R250 HydrophobicContact CD2-CB 4.42Å; V244-R250 HydrophobicContact CG2-CB 4.47Å; S248-R250 PolarHBondContact O-N 2.95Å; S248-R250 WeakPolarHBondContact OG-CD 3.25Å; S248-R250 VanDerWaalsContact OG-CG 3.3Å; S248-R250 WeakPolarHBondContact OG-CG 3.44Å; R250-V253 PolarHBondContact O-N 3Å; R250-I254 VanDerWaalsContact O-CG1 3.29Å; R250-I254 WeakPolarHBondContact O-CG1 3.3Å; R250-I254 PolarHBondContact O-N 3.28Å
251L97.9Very high97.3Very high5 Ų548 Ų483%0.02626%0.259CS..Hα-helixtrans-61.8-43.3176.3-176.264.9000112L141 L182 L218 L220 V242 V244 D249 A255 L277 L328L141-L251 HydrophobicContact CD1-CD1 3.46Å; L141-L251 VanDerWaalsContact CD1-CD1 3.46Å; L182-L251 HydrophobicContact CD1-CD2 4.06Å; L218-L251 HydrophobicContact CD2-CB 4.05Å; L218-L251 HydrophobicContact CD2-CD1 4.24Å; L220-L251 HydrophobicContact CD1-CD1 4.31Å; L220-L251 HydrophobicContact CD1-CD2 4.24Å; L220-L251 HydrophobicContact CD2-CD1 4.47Å; L220-L251 HydrophobicContact CD2-CD2 4.09Å; V242-L251 HydrophobicContact CB-CD2 4.45Å; V242-L251 HydrophobicContact CG1-CD2 3.93Å; V244-L251 HydrophobicContact CG2-CB 3.72Å; D249-L251 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 3.45Å; D249-L251 VanDerWaalsContact O-N 3.16Å; L251-A255 PolarHBondContact O-N 2.94Å; L251-A255 VanDerWaalsContact O-N 3.11Å; L251-L277 HydrophobicContact CD2-CD1 3.96Å; L251-L277 HydrophobicContact CG-CD1 3.81Å; L251-L328 HydrophobicContact CD1-CD2 3.95Å
252Q98Very high97.3Very high25 Ų2544.4 Ų44.412%0.11724%0.244CC..Hα-helixtrans-65.1-45.8176.3-173.77553.500110.9D249 I254 A255 E256 V275D249-Q252 HydrophobicContact CB-CB 4.49Å; D249-Q252 WeakPolarHBondContact O-CA 3.16Å; D249-Q252 WeakPolarHBondContact O-CB 3.49Å; D249-Q252 PolarHBondContact O-N 2.65Å; Q252-I254 VanDerWaalsContact C-N 3.29Å; Q252-I254 PolarHBondContact O-N 2.94Å; Q252-A255 WeakPolarHBondContact O-CB 3.24Å; Q252-A255 PolarHBondContact O-N 2.83Å; Q252-A255 VanDerWaalsContact O-N 3.09Å; Q252-E256 HydrophobicContact CG-CG 4.24Å; Q252-E256 PolarHBondContact NE2-OE1 3.48Å; Q252-E256 WeakPolarHBondContact O-CG 3.42Å; Q252-E256 PolarHBondContact O-N 3.07Å; Q252-V275 PolarHBondContact NE2-O 3.09Å
253V98.2Very high97.2Very high57 Ų5745.8 Ų45.835%0.34525%0.252SS..Hα-helixtrans-60.4-40.2-180179.30000111.1I212 D249 R250 R257I212-V253 HydrophobicContact CD1-CB 4.42Å; I212-V253 HydrophobicContact CD1-CG1 3.7Å; I212-V253 HydrophobicContact CG1-CG1 4.29Å; D249-V253 WeakPolarHBondContact O-CG2 3.39Å; D249-V253 PolarHBondContact O-N 2.94Å; R250-V253 PolarHBondContact O-N 3Å; V253-R257 WeakPolarHBondContact O-CB 3.42Å; V253-R257 WeakPolarHBondContact O-CG 3.39Å; V253-R257 PolarHBondContact O-N 3.28Å
254I98.1Very high97.2Very high0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-60.7-48173.6-69.8164.3000110.5I209 I212 T213 L218 R250 Q252 R257 L258I209-I254 HydrophobicContact CD1-CG2 4.34Å; I209-I254 HydrophobicContact CG1-CG2 4.15Å; I212-I254 HydrophobicContact CB-CG1 4.19Å; I212-I254 HydrophobicContact CD1-CG1 3.84Å; I212-I254 HydrophobicContact CG2-CD1 4.03Å; I212-I254 HydrophobicContact CG2-CG1 3.84Å; T213-I254 HydrophobicContact CG2-CD1 3.71Å; L218-I254 HydrophobicContact CD2-CD1 4.29Å; R250-I254 VanDerWaalsContact O-CG1 3.29Å; R250-I254 WeakPolarHBondContact O-CG1 3.3Å; R250-I254 PolarHBondContact O-N 3.28Å; Q252-I254 VanDerWaalsContact C-N 3.29Å; Q252-I254 PolarHBondContact O-N 2.94Å; I254-R257 PolarHBondContact O-N 2.88Å; I254-L258 HydrophobicContact CG2-CD1 3.76Å; I254-L258 HydrophobicContact CG2-CG 4.37Å; I254-L258 WeakPolarHBondContact O-CB 3.38Å; I254-L258 VanDerWaalsContact O-CG 3.27Å; I254-L258 WeakPolarHBondContact O-CG 3.32Å; I254-L258 PolarHBondContact O-N 3.08Å
255A98.1Very high97Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-61.8-46.4-179.100000112.6I184 L251 Q252 L258 V259 V275 L277I184-A255 HydrophobicContact CD1-CB 3.71Å; I184-A255 HydrophobicContact CG2-CB 4.25Å; L251-A255 PolarHBondContact O-N 2.94Å; L251-A255 VanDerWaalsContact O-N 3.11Å; Q252-A255 WeakPolarHBondContact O-CB 3.24Å; Q252-A255 PolarHBondContact O-N 2.83Å; Q252-A255 VanDerWaalsContact O-N 3.09Å; A255-L258 PolarHBondContact O-N 3.37Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.17Å; A255-V275 HydrophobicContact CB-CB 4.19Å; A255-V275 HydrophobicContact CB-CG1 4.14Å; A255-V275 HydrophobicContact CB-CG2 4.37Å; A255-L277 HydrophobicContact CB-CD2 3.83Å
256E97.8Very high96.8Very high39 Ų3947.4 Ų47.418%0.18228%0.283CS..Hα-helixtrans-59.1-48.8176.7-69.6-65.5144.200111.6Q252 L258 V259 E260 R270 R274 V275Q252-E256 HydrophobicContact CG-CG 4.24Å; Q252-E256 PolarHBondContact NE2-OE1 3.48Å; Q252-E256 WeakPolarHBondContact O-CG 3.42Å; Q252-E256 PolarHBondContact O-N 3.07Å; E256-L258 PolarHBondContact O-N 2.71Å; E256-V259 PolarHBondContact O-N 3.39Å; E256-E260 WeakPolarHBondContact O-CB 3.05Å; E256-E260 PolarHBondContact O-N 3.36Å; E256-R270 IonicContact OE2-NH2 2.62Å; E256-R270 PolarHBondContact OE2-NH2 2.83Å; E256-R274 VanDerWaalsContact OE1-CA 3.25Å; E256-R274 WeakPolarHBondContact OE1-CA 3.36Å; E256-R274 WeakPolarHBondContact OE1-CG 3.32Å; E256-V275 PolarHBondContact OE1-N 3.37Å
257R97.9Very high96.8Very high111 Ų11143.8 Ų43.842%0.41926%0.263SS..Hα-helixtrans-68-34.2-178.9-73.3-167.8-177.2-170.3-0.2112.9F208 V253 I254 H261F208-R257 HydrophobicContact CD2-CB 3.92Å; F208-R257 HydrophobicContact CE1-CB 4.4Å; F208-R257 HydrophobicContact CE2-CB 3.42Å; F208-R257 VanDerWaalsContact CE2-CB 3.42Å; F208-R257 HydrophobicContact CE2-CG 4.44Å; F208-R257 HydrophobicContact CZ-CB 3.72Å; V253-R257 WeakPolarHBondContact O-CB 3.42Å; V253-R257 WeakPolarHBondContact O-CG 3.39Å; V253-R257 PolarHBondContact O-N 3.28Å; I254-R257 PolarHBondContact O-N 2.88Å; R257-H261 VanDerWaalsContact O-CB 3.25Å; R257-H261 WeakPolarHBondContact O-CB 3.46Å; R257-H261 PolarHBondContact O-N 2.95Å
258L98.1Very high96.8Very high0 Ų041.2 Ų41.20%023%0.233CC..Hα-helixtrans-61.4-48.8171.7-78.7167.7000110.9L139 I184 L202 C205 F208 I209 I254 A255 E256 H261 F262 V331L139-L258 HydrophobicContact CD1-CB 4.26Å; L139-L258 HydrophobicContact CD1-CD2 4.44Å; I184-L258 HydrophobicContact CG2-CB 4Å; I184-L258 HydrophobicContact CG2-CD1 4.25Å; L202-L258 HydrophobicContact CD1-CD2 4.12Å; C205-L258 HydrophobicContact CB-CD2 3.98Å; F208-L258 HydrophobicContact CZ-CD2 4.25Å; F208-L258 HydrophobicContact CZ-CG 4.28Å; I209-L258 HydrophobicContact CD1-CD2 4.09Å; I209-L258 HydrophobicContact CD1-CG 4.45Å; I254-L258 HydrophobicContact CG2-CD1 3.76Å; I254-L258 HydrophobicContact CG2-CG 4.37Å; I254-L258 WeakPolarHBondContact O-CB 3.38Å; I254-L258 VanDerWaalsContact O-CG 3.27Å; I254-L258 WeakPolarHBondContact O-CG 3.32Å; I254-L258 PolarHBondContact O-N 3.08Å; A255-L258 PolarHBondContact O-N 3.37Å; E256-L258 PolarHBondContact O-N 2.71Å; L258-H261 PolarHBondContact O-N 3.42Å; L258-F262 WeakPolarHBondContact O-CD2 3.23Å; L258-F262 PolarHBondContact O-N 3.45Å; L258-V331 HydrophobicContact CD1-CB 4.5Å; L258-V331 HydrophobicContact CD1-CG2 3.94Å
259V97.8Very high96.4Very high7 Ų744.5 Ų44.54%0.04225%0.251CS..Hα-helixtrans-62.2-48.4177.6170.40000110.9I184 A255 E256 H261 F262 V263 M268 V275I184-V259 HydrophobicContact CG2-CG2 3.84Å; I184-V259 VanDerWaalsContact O-CG2 3.3Å; I184-V259 WeakPolarHBondContact O-CG2 3.48Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.17Å; E256-V259 PolarHBondContact O-N 3.39Å; V259-H261 VanDerWaalsContact C-N 3.33Å; V259-H261 PolarHBondContact O-N 2.91Å; V259-F262 PolarHBondContact O-N 3.1Å; V259-V263 HydrophobicContact CG1-CG2 3.95Å; V259-V263 WeakPolarHBondContact O-CB 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.45Å; V259-V263 PolarHBondContact O-N 3.01Å; V259-M268 HydrophobicContact CB-SD 4.26Å; V259-M268 HydrophobicContact CG1-SD 4.05Å; V259-M268 HydrophobicContact CG2-SD 3.92Å; V259-V275 HydrophobicContact CB-CG2 4.15Å; V259-V275 HydrophobicContact CG2-CG2 3.52Å
260E97.3Very high96.1Very high116 Ų11643.9 Ų43.954%0.54224%0.241SC..Hα-helixtrans-56.4-46.8178.4-175.9177.4-167.800111.9E256 F262 V263 S264E256-E260 WeakPolarHBondContact O-CB 3.05Å; E256-E260 PolarHBondContact O-N 3.36Å; E260-F262 PolarHBondContact O-N 3.29Å; E260-V263 PolarHBondContact O-N 3.14Å; E260-S264 WeakPolarHBondContact O-CB 3.42Å; E260-S264 PolarHBondContact O-N 2.88Å; E260-S264 PolarHBondContact O-OG 3.26Å
261H97.7Very high95.4Very high39 Ų3948 Ų4818%0.18126%0.262CS..Hα-helixtrans-61.2-46.5178.5-173.580.4000111.7R201 E204 C205 R257 L258 V259 S264 A265R201-H261 PolarHBondContact O-CD2 3.47Å; R201-H261 PolarHBondContact O-NE2 3.21Å; E204-H261 IonicContact OE2-CE1 2.7Å; E204-H261 PolarHBondContact OE2-CE1 2.9Å; E204-H261 VanDerWaalsContact OE2-CE1 3.3Å; E204-H261 IonicContact OE2-NE2 3.85Å; E204-H261 PolarHBondContact OE2-NE2 3.27Å; C205-H261 PolarHBondContact SG-CD2 3.12Å; R257-H261 VanDerWaalsContact O-CB 3.25Å; R257-H261 WeakPolarHBondContact O-CB 3.46Å; R257-H261 PolarHBondContact O-N 2.95Å; L258-H261 PolarHBondContact O-N 3.42Å; V259-H261 VanDerWaalsContact C-N 3.33Å; V259-H261 PolarHBondContact O-N 2.91Å; H261-S264 PolarHBondContact O-N 3.05Å; H261-S264 PolarHBondContact O-OG 2.98Å; H261-A265 WeakPolarHBondContact O-CB 3.42Å; H261-A265 PolarHBondContact O-N 3.38Å; H261-A265 VanDerWaalsContact O-N 3.07Å
262F97.6Very high94.9Very high0 Ų056.9 Ų56.90%030%0.295CS..Hα-helixtrans-72.2-31-179.6-87-101.3000113.9L139 L187 A198 R201 L202 L258 V259 E260 G266 L267 M268L139-F262 HydrophobicContact CD1-CD1 4.45Å; L139-F262 HydrophobicContact CD1-CD2 3.68Å; L139-F262 HydrophobicContact CD1-CE1 4.48Å; L139-F262 HydrophobicContact CD1-CE2 3.73Å; L139-F262 HydrophobicContact CD1-CG 4.05Å; L139-F262 HydrophobicContact CD1-CZ 4.13Å; L139-F262 HydrophobicContact CD2-CE1 4.5Å; L139-F262 HydrophobicContact CD2-CE2 4.27Å; L139-F262 HydrophobicContact CD2-CZ 4.01Å; L187-F262 HydrophobicContact CD2-CD1 3.6Å; L187-F262 HydrophobicContact CD2-CE1 3.75Å; A198-F262 HydrophobicContact CB-CE1 4.2Å; A198-F262 WeakPolarHBondContact O-CZ 3.28Å; R201-F262 HydrophobicContact CB-CE1 4.32Å; R201-F262 HydrophobicContact CB-CE2 4.32Å; R201-F262 HydrophobicContact CB-CZ 4.05Å; L202-F262 HydrophobicContact CB-CE2 4.49Å; L202-F262 HydrophobicContact CB-CZ 4.06Å; L202-F262 HydrophobicContact CD1-CE2 4.36Å; L202-F262 HydrophobicContact CD1-CZ 4.49Å; L258-F262 WeakPolarHBondContact O-CD2 3.23Å; L258-F262 PolarHBondContact O-N 3.45Å; V259-F262 PolarHBondContact O-N 3.1Å; E260-F262 PolarHBondContact O-N 3.29Å; F262-G266 PolarHBondContact O-N 2.98Å; F262-L267 HydrophobicContact CD1-CB 4.02Å; F262-L267 HydrophobicContact CD1-CD1 4.11Å; F262-L267 HydrophobicContact CE1-CD1 4.21Å; F262-L267 PolarHBondContact O-N 3.31Å; F262-M268 HydrophobicContact CB-CB 3.88Å; F262-M268 HydrophobicContact CB-CE 4.02Å; F262-M268 HydrophobicContact CB-SD 4.36Å; F262-M268 HydrophobicContact CG-CE 4.42Å; F262-M268 PolarHBondContact O-N 3.17Å
263V96.1Very high94.4Very high49 Ų4962.8 Ų62.830%0.29733%0.328SS..Hα-helixtrans-67-47.2171.8169.70000109.9V259 E260 A265 G266 M268 R270V259-V263 HydrophobicContact CG1-CG2 3.95Å; V259-V263 WeakPolarHBondContact O-CB 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.45Å; V259-V263 PolarHBondContact O-N 3.01Å; E260-V263 PolarHBondContact O-N 3.14Å; V263-A265 PolarHBondContact O-N 3.05Å; V263-G266 PolarHBondContact O-N 3.32Å; V263-M268 HydrophobicContact CG2-CB 4.12Å; V263-M268 HydrophobicContact CG2-CG 4.23Å; V263-R270 HydrophobicContact CG2-CB 4.08Å
264S95.4Very high94.2Very high95 Ų9567.1 Ų67.166%0.66434%0.338SS*.Hα-helixtrans-61.2-30.6177.577.70000112.9E260 H261 G266E260-S264 WeakPolarHBondContact O-CB 3.42Å; E260-S264 PolarHBondContact O-N 2.88Å; E260-S264 PolarHBondContact O-OG 3.26Å; H261-S264 PolarHBondContact O-N 3.05Å; H261-S264 PolarHBondContact O-OG 2.98Å; S264-G266 PolarHBondContact O-N 2.85Å
265A94.6Very high94Very high20 Ų2067.9 Ų67.917%0.16534%0.342CS..THydrogen-bonded Turntrans-78.8-3.9175.900000114R201 H261 V263 L267R201-A265 HydrophobicContact CG-CB 3.99Å; H261-A265 WeakPolarHBondContact O-CB 3.42Å; H261-A265 PolarHBondContact O-N 3.38Å; H261-A265 VanDerWaalsContact O-N 3.07Å; V263-A265 PolarHBondContact O-N 3.05Å; A265-L267 VanDerWaalsContact C-N 3.31Å; A265-L267 HydrophobicContact CB-CD1 4.27Å; A265-L267 HydrophobicContact CB-CG 4.26Å; A265-L267 PolarHBondContact O-N 3.48Å
266G92.6Very high93.8Very high66 Ų6672.6 Ų72.668%0.6836%0.363SS*.THydrogen-bonded Turntrans71.221.3-177.400000114.2F262 V263 S264F262-G266 PolarHBondContact O-N 2.98Å; V263-G266 PolarHBondContact O-N 3.32Å; S264-G266 PolarHBondContact O-N 2.85Å
267L93.9Very high93.7Very high22 Ų2272.1 Ų72.112%0.11536%0.361CS..SBendtrans-102.4-13.3-176.2-67.2177.8000113.6L187 L189 K197 A198 R201 F262 A265L187-L267 HydrophobicContact CD2-CB 4.21Å; L189-L267 HydrophobicContact CD2-CD2 4.27Å; K197-L267 HydrophobicContact CD-CD2 4.39Å; K197-L267 HydrophobicContact CG-CD1 4.45Å; A198-L267 HydrophobicContact CB-CD1 4.06Å; R201-L267 HydrophobicContact CB-CD1 4.42Å; R201-L267 HydrophobicContact CG-CD1 3.96Å; F262-L267 HydrophobicContact CD1-CB 4.02Å; F262-L267 HydrophobicContact CD1-CD1 4.11Å; F262-L267 HydrophobicContact CE1-CD1 4.21Å; F262-L267 PolarHBondContact O-N 3.31Å; A265-L267 VanDerWaalsContact C-N 3.31Å; A265-L267 HydrophobicContact CB-CD1 4.27Å; A265-L267 HydrophobicContact CB-CG 4.26Å; A265-L267 PolarHBondContact O-N 3.48Å
268M94.3Very high93.6Very high15 Ų1568.7 Ų68.77%0.07435%0.35CS..  trans-138.4148.2-177.6-174.7175-64.600109.7L139 L187 V259 F262 V263L139-M268 HydrophobicContact CD1-CE 4Å; L139-M268 HydrophobicContact CG-CE 4.37Å; L187-M268 HydrophobicContact CD1-CE 3.92Å; L187-M268 HydrophobicContact CG-CE 4.16Å; V259-M268 HydrophobicContact CB-SD 4.26Å; V259-M268 HydrophobicContact CG1-SD 4.05Å; V259-M268 HydrophobicContact CG2-SD 3.92Å; F262-M268 HydrophobicContact CB-CB 3.88Å; F262-M268 HydrophobicContact CB-CE 4.02Å; F262-M268 HydrophobicContact CB-SD 4.36Å; F262-M268 HydrophobicContact CG-CE 4.42Å; F262-M268 PolarHBondContact O-N 3.17Å; V263-M268 HydrophobicContact CG2-CB 4.12Å; V263-M268 HydrophobicContact CG2-CG 4.23Å
269V89.4Confident93.6Very high104 Ų10468.8 Ų68.863%0.6335%0.351SS*.  trans-102.9131.5171.2179.80000107.8E271V269-E271 PolarHBondContact O-N 3.3Å
270R89.9Confident93.6Very high100 Ų10069.4 Ų69.438%0.37736%0.355SS..  trans-75113.9174.1-166169-153.11385.6108.9E256 V263 W272 D273E256-R270 IonicContact OE2-NH2 2.62Å; E256-R270 PolarHBondContact OE2-NH2 2.83Å; V263-R270 HydrophobicContact CG2-CB 4.08Å; R270-W272 WeakPolarHBondContact CG-O 3.45Å; R270-W272 PolarHBondContact NE-O 3.13Å; R270-D273 PolarHBondContact NE-O 2.95Å; R270-D273 PolarHBondContact NH2-O 2.83Å
271E83.1Confident93.7Very high139 Ų13964 Ų6465%0.6533%0.33SS*.  trans-87-32.8177.7-65.9-178.2-177.400112.1V269V269-E271 PolarHBondContact O-N 3.3Å
272W86.9Confident93.7Very high190 Ų19062.2 Ų62.272%0.7232%0.321SS*.SBendtrans-139.6154-174.7-51.899.9000110.5R270 R274R270-W272 WeakPolarHBondContact CG-O 3.45Å; R270-W272 PolarHBondContact NE-O 3.13Å; W272-R274 VanDerWaalsContact C-N 3.26Å; W272-R274 PolarHBondContact O-N 2.73Å
273D88.2Confident93.7Very high149 Ų14963.2 Ų63.280%0.79733%0.327SS*.SBendtrans-60.1-41.2177.3-66.9-25000111.4R270R270-D273 PolarHBondContact NE-O 2.95Å; R270-D273 PolarHBondContact NH2-O 2.83Å
274R93.1Very high93.6Very high148 Ų14861.2 Ų61.256%0.55832%0.315SS*.SBendtrans-120.3137.8-178.8-170-178.9171.2167.21.3111.4E256 W272 K276E256-R274 VanDerWaalsContact OE1-CA 3.25Å; E256-R274 WeakPolarHBondContact OE1-CA 3.36Å; E256-R274 WeakPolarHBondContact OE1-CG 3.32Å; W272-R274 VanDerWaalsContact C-N 3.26Å; W272-R274 PolarHBondContact O-N 2.73Å; R274-K276 PolarHBondContact O-N 3.28Å
275V94.3Very high93.4Very high16 Ų1661.7 Ų61.710%0.09731%0.309CS..  trans-67.4117.9174.8-175.80000109.7Q252 A255 E256 V259 L277Q252-V275 PolarHBondContact NE2-O 3.09Å; A255-V275 HydrophobicContact CB-CB 4.19Å; A255-V275 HydrophobicContact CB-CG1 4.14Å; A255-V275 HydrophobicContact CB-CG2 4.37Å; E256-V275 PolarHBondContact OE1-N 3.37Å; V259-V275 HydrophobicContact CB-CG2 4.15Å; V259-V275 HydrophobicContact CG2-CG2 3.52Å; V275-L277 HydrophobicContact CG1-CD2 4.08Å; V275-L277 PolarHBondContact O-N 2.75Å
276K93.7Very high93.4Very high99 Ų9963.8 Ų63.843%0.4332%0.315SS..  trans-78.798.4172.8-173.7170.5-176.11760109.7M228 Y239 R274 H278M228-K276 HydrophobicContact CE-CD 4.08Å; M228-K276 HydrophobicContact SD-CD 4.11Å; M228-K276 PolarHBondContact SD-NZ 2.8Å; Y239-K276 WeakPolarHBondContact OH-CE 3.08Å; Y239-K276 PolarHBondContact OH-NZ 3Å; Y239-K276 VanDerWaalsContact OH-NZ 3.11Å; R274-K276 PolarHBondContact O-N 3.28Å; K276-H278 PolarHBondContact O-N 2.83Å; K276-H278 PolarHBondContact O-ND1 2.94Å
277L96.4Very high93.3Very high29 Ų2962.9 Ų62.915%0.15229%0.291CS..  trans-72.5115.6175.1-63.1176.7000110.3L182 I184 L251 A255 V275L182-L277 HydrophobicContact CD1-CD2 4.37Å; I184-L277 HydrophobicContact CD1-CD2 3.7Å; L251-L277 HydrophobicContact CD2-CD1 3.96Å; L251-L277 HydrophobicContact CG-CD1 3.81Å; A255-L277 HydrophobicContact CB-CD2 3.83Å; V275-L277 HydrophobicContact CG1-CD2 4.08Å; V275-L277 PolarHBondContact O-N 2.75Å
278H95.3Very high92.4Very high40 Ų4069.2 Ų69.219%0.18532%0.318CS..  trans-147.1126.8-178.863.2-81.2000111.2M228 Y239 K276M228-H278 HydrophobicContact CE-CB 4.01Å; M228-H278 WeakPolarHBondContact CE-CD2 3.44Å; M228-H278 VanDerWaalsContact CE-CG 3.42Å; Y239-H278 HydrophobicContact CD1-CB 4.06Å; Y239-H278 HydrophobicContact CD2-CB 3.45Å; Y239-H278 VanDerWaalsContact CD2-CB 3.45Å; Y239-H278 HydrophobicContact CE1-CB 4.48Å; Y239-H278 HydrophobicContact CE2-CB 3.95Å; Y239-H278 HydrophobicContact CG-CB 3.52Å; K276-H278 PolarHBondContact O-N 2.83Å; K276-H278 PolarHBondContact O-ND1 2.94Å
279G97.9Very high90.6Very high1 Ų171.7 Ų71.71%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-92.897.6173.500000109.9Y239 A240 V281Y239-G279 CarbonylContact C-O 3.56Å; Y239-G279 VanDerWaalsContact CA-O 3.25Å; Y239-G279 WeakPolarHBondContact CA-O 3.46Å; Y239-G279 WeakPolarHBondContact CB-O 3.19Å; A240-G279 PolarHBondContact N-O 2.8Å; A240-G279 PolarHBondContact O-N 2.82Å; G279-V281 PolarHBondContact O-N 2.91Å
280T98.3Very high88.7Confident21 Ų2172 Ų7213%0.12933%0.333CS..EExtended strand (participates in β ladder)trans-61.4120.6-175.7-63.30000111.4V237 N283 F286V237-T280 HydrophobicContact CG1-CG2 3.98Å; T280-N283 HydrophobicContact CG2-CB 4.02Å; T280-F286 HydrophobicContact CG2-CE2 4.19Å; T280-F286 HydrophobicContact CG2-CZ 4.12Å
281V98.5Very high86.6Confident3 Ų371.7 Ų71.72%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-106.4-34.1178.6-68.10000112.5F152 F155 Q175 L180 L238 A240 G279 F323F152-V281 HydrophobicContact CD2-CB 4.23Å; F152-V281 HydrophobicContact CD2-CG1 3.97Å; F152-V281 HydrophobicContact CE2-CB 3.81Å; F152-V281 HydrophobicContact CE2-CG1 4.03Å; F155-V281 HydrophobicContact CE1-CG2 4.36Å; Q175-V281 WeakPolarHBondContact CB-O 3.29Å; Q175-V281 PolarHBondContact N-O 3.39Å; L180-V281 HydrophobicContact CD2-CG1 4.49Å; L238-V281 HydrophobicContact CB-CG2 4.18Å; L238-V281 HydrophobicContact CD2-CG2 3.99Å; L238-V281 HydrophobicContact CG-CG2 4.04Å; L238-V281 WeakPolarHBondContact O-CG2 3.4Å; L238-V281 PolarHBondContact O-N 2.71Å; A240-V281 HydrophobicContact CB-CG1 3.86Å; G279-V281 PolarHBondContact O-N 2.91Å; V281-F323 HydrophobicContact CG1-CE1 4.04Å; V281-F323 HydrophobicContact CG1-CZ 4.1Å
282M98.1Very high84.8Confident0 Ų068.9 Ų68.90%034%0.335CS..EExtended strand (participates in β ladder)trans-134.2140.3173.5-55.9169.666.300110F155 V169 I173 F174 V237 L238 F309 I314F155-M282 HydrophobicContact CE1-SD 4.41Å; V169-M282 HydrophobicContact CG1-CE 4.47Å; I173-M282 HydrophobicContact CD1-CE 3.44Å; I173-M282 VanDerWaalsContact CD1-CE 3.44Å; I173-M282 HydrophobicContact CG1-CE 3.96Å; I173-M282 CarbonylContact O-C 3.09Å; I173-M282 WeakPolarHBondContact O-CA 3.28Å; F174-M282 HydrophobicContact CD1-CG 3.79Å; F174-M282 HydrophobicContact CD1-SD 4.36Å; F174-M282 HydrophobicContact CE1-CE 4.19Å; F174-M282 HydrophobicContact CE1-CG 3.81Å; F174-M282 HydrophobicContact CE1-SD 3.76Å; F174-M282 HydrophobicContact CE2-CE 3.93Å; F174-M282 HydrophobicContact CG-CG 4.28Å; F174-M282 HydrophobicContact CZ-CE 3.75Å; F174-M282 HydrophobicContact CZ-CG 4.32Å; F174-M282 HydrophobicContact CZ-SD 3.89Å; V237-M282 WeakPolarHBondContact CA-O 3.48Å; L238-M282 HydrophobicContact CB-CB 4.04Å; L238-M282 HydrophobicContact CB-CG 4.48Å; L238-M282 HydrophobicContact CB-SD 4.47Å; L238-M282 HydrophobicContact CD2-CG 4.39Å; L238-M282 HydrophobicContact CD2-SD 3.69Å; L238-M282 PolarHBondContact N-O 2.99Å; L238-M282 PolarHBondContact O-N 2.92Å; M282-F309 HydrophobicContact CB-CE1 4.45Å; M282-F309 HydrophobicContact CB-CZ 4.09Å; M282-F309 HydrophobicContact CE-CD2 4.25Å; M282-F309 HydrophobicContact CE-CE2 3.9Å; M282-F309 HydrophobicContact CE-CZ 4.15Å; M282-F309 HydrophobicContact SD-CE2 4.34Å; M282-F309 HydrophobicContact SD-CZ 4.45Å; M282-I314 HydrophobicContact CE-CD1 4.09Å; M282-I314 HydrophobicContact SD-CD1 4.15Å
283N96.8Very high82.6Confident22 Ų2267.9 Ų67.912%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-149.7127.7176.4-166.1-42.6000110.6I173 D236 T280 L285 F286I173-N283 PolarHBondContact O-N 3.41Å; D236-N283 CarbonylContact O-C 3.58Å; D236-N283 VanDerWaalsContact O-CA 3.29Å; D236-N283 WeakPolarHBondContact O-CA 3.28Å; T280-N283 HydrophobicContact CG2-CB 4.02Å; N283-L285 PolarHBondContact O-N 3.31Å; N283-L285 VanDerWaalsContact OD1-CB 3.23Å; N283-L285 WeakPolarHBondContact OD1-CB 3.4Å; N283-L285 WeakPolarHBondContact OD1-CG 3.37Å; N283-L285 PolarHBondContact OD1-N 3.29Å; N283-F286 HydrophobicContact CB-CD1 4.1Å; N283-F286 HydrophobicContact CB-CD2 3.64Å; N283-F286 HydrophobicContact CB-CE1 3.83Å; N283-F286 HydrophobicContact CB-CE2 3.33Å; N283-F286 HydrophobicContact CB-CG 4Å; N283-F286 HydrophobicContact CB-CZ 3.43Å; N283-F286 VanDerWaalsContact CB-CZ 3.43Å; N283-F286 WeakPolarHBondContact O-CB 3.14Å; N283-F286 PolarHBondContact O-N 2.82Å
284T95.1Very high80.2Confident6 Ų668.1 Ų68.14%0.03734%0.339CS..G310 helixtrans-61.4-24.7178.856.10000113.1D236 F286 R287 E307 F309D236-T284 PolarHBondContact O-N 3.5Å; D236-T284 PolarHBondContact O-OG1 3.37Å; D236-T284 PolarHBondContact OD1-OG1 3.43Å; T284-F286 PolarHBondContact O-N 2.87Å; T284-R287 WeakPolarHBondContact O-CB 3.45Å; T284-R287 PolarHBondContact O-N 3.02Å; T284-E307 WeakPolarHBondContact CB-O 3.47Å; T284-E307 WeakPolarHBondContact CG2-O 3.41Å; T284-F309 HydrophobicContact CG2-CD1 3.68Å; T284-F309 HydrophobicContact CG2-CE1 4.15Å
285L92.1Very high77.6Confident105 Ų10570.9 Ų70.955%0.5535%0.35SS..G310 helixtrans-67.2-15.5173.4-69.2-178.6000114.1N283 R287 R306N283-L285 PolarHBondContact O-N 3.31Å; N283-L285 VanDerWaalsContact OD1-CB 3.23Å; N283-L285 WeakPolarHBondContact OD1-CB 3.4Å; N283-L285 WeakPolarHBondContact OD1-CG 3.37Å; N283-L285 PolarHBondContact OD1-N 3.29Å; L285-R287 VanDerWaalsContact C-N 3.26Å; L285-R306 HydrophobicContact CD2-CG 4.19Å
286F93Very high74.8Confident64 Ų6474.9 Ų74.928%0.28139%0.394SS..G310 helixtrans-79.6-14.7176.3-55.3-24.1000112.5S172 I173 Q175 T280 N283 T284 K288S172-F286 CarbonylContact O-C 3.51Å; S172-F286 VanDerWaalsContact O-C 3.31Å; S172-F286 WeakPolarHBondContact O-CB 3.38Å; I173-F286 WeakPolarHBondContact O-CD2 3.4Å; Q175-F286 HydrophobicContact CB-CE2 3.83Å; Q175-F286 HydrophobicContact CG-CE2 4.35Å; T280-F286 HydrophobicContact CG2-CE2 4.19Å; T280-F286 HydrophobicContact CG2-CZ 4.12Å; N283-F286 HydrophobicContact CB-CD1 4.1Å; N283-F286 HydrophobicContact CB-CD2 3.64Å; N283-F286 HydrophobicContact CB-CE1 3.83Å; N283-F286 HydrophobicContact CB-CE2 3.33Å; N283-F286 HydrophobicContact CB-CG 4Å; N283-F286 HydrophobicContact CB-CZ 3.43Å; N283-F286 VanDerWaalsContact CB-CZ 3.43Å; N283-F286 WeakPolarHBondContact O-CB 3.14Å; N283-F286 PolarHBondContact O-N 2.82Å; T284-F286 PolarHBondContact O-N 2.87Å; F286-K288 PolarHBondContact O-N 2.73Å
287R91.6Very high71.9Confident48 Ų4872.8 Ų72.818%0.18140%0.401CS..  trans-51.8117.7178.9-171.7170.6-66.7116.6-14.6109.8G168 E170 S172 I173 T284 L285 D289 E307G168-R287 PolarHBondContact O-NH2 3.34Å; E170-R287 VanDerWaalsContact OE1-CD 3.23Å; E170-R287 WeakPolarHBondContact OE1-CD 3.45Å; E170-R287 VanDerWaalsContact OE1-CG 3.3Å; E170-R287 WeakPolarHBondContact OE1-CG 3.25Å; E170-R287 IonicContact OE1-CZ 2.71Å; E170-R287 IonicContact OE1-NE 3.68Å; E170-R287 PolarHBondContact OE1-NE 2.6Å; S172-R287 WeakPolarHBondContact OG-CA 3.19Å; I173-R287 HydrophobicContact CG2-CB 4.06Å; T284-R287 WeakPolarHBondContact O-CB 3.45Å; T284-R287 PolarHBondContact O-N 3.02Å; L285-R287 VanDerWaalsContact C-N 3.26Å; R287-D289 PolarHBondContact O-N 3.35Å; R287-E307 IonicContact CZ-OE2 2.73Å; R287-E307 IonicContact NE-OE2 3.87Å; R287-E307 PolarHBondContact NH1-O 2.78Å; R287-E307 PolarHBondContact NH2-O 2.91Å; R287-E307 IonicContact NH2-OE2 2.88Å
288K73.9Confident69.3Low155 Ų15577.2 Ų77.267%0.67444%0.442SS*.  trans-73.9126176.9-69.8-175.9-178.81780108.2F286 T290F286-K288 PolarHBondContact O-N 2.73Å; K288-T290 VanDerWaalsContact C-N 3.34Å; K288-T290 PolarHBondContact O-N 3.14Å
289D57.7Low66.5Low67 Ų6778.4 Ų78.436%0.35846%0.464SS..  trans-73.590.6173.8-153.3-18.7000109R287 T291 V292R287-D289 PolarHBondContact O-N 3.35Å; D289-T291 PolarHBondContact O-N 3.38Å; D289-T291 VanDerWaalsContact O-N 3.09Å; D289-T291 PolarHBondContact OD1-OG1 2.91Å; D289-V292 HydrophobicContact CB-CG2 4.06Å; D289-V292 PolarHBondContact O-N 3Å
290T48.1Very low63.8Low109 Ų10987.6 Ų87.667%0.66950%0.504SS*.THydrogen-bonded Turntrans-64-10.7-178.746.50000112.9K288 V292K288-T290 VanDerWaalsContact C-N 3.34Å; K288-T290 PolarHBondContact O-N 3.14Å; T290-V292 VanDerWaalsContact C-N 3.34Å
291T46.9Very low61Low94 Ų9495.3 Ų95.358%0.57754%0.539SS*.THydrogen-bonded Turntrans-76.3-19.3178.167.80000113.8D289D289-T291 PolarHBondContact O-N 3.38Å; D289-T291 VanDerWaalsContact O-N 3.09Å; D289-T291 PolarHBondContact OD1-OG1 2.91Å
292V45.3Very low58.3Low80 Ų8099 Ų9949%0.48557%0.57SS.*THydrogen-bonded Turntrans-87.1-28.6-174.7-170.30000112.3D289 T290 N294 R295D289-V292 HydrophobicContact CB-CG2 4.06Å; D289-V292 PolarHBondContact O-N 3Å; T290-V292 VanDerWaalsContact C-N 3.34Å; V292-N294 VanDerWaalsContact C-N 3.28Å; V292-N294 PolarHBondContact O-N 3.17Å; V292-R295 PolarHBondContact O-N 3.38Å
293E41Very low55.7Low169 Ų169105.2 Ų105.279%0.7961%0.607SS**THydrogen-bonded Turntrans-70.8-21.2-178.6-66.9-169.8161.400113.3
294N37.6Very low53.8Low155 Ų155108.1 Ų108.183%0.82963%0.629SS**THydrogen-bonded Turntrans-94.60.4177.8-90.7-24.6000115V292V292-N294 VanDerWaalsContact C-N 3.28Å; V292-N294 PolarHBondContact O-N 3.17Å
295R37.7Very low52.3Low206 Ų206116.2 Ų116.278%0.77767%0.667SS**  trans-122.194.9175.7-69.4-173.7177.8-172.91.6109.3V292 G297V292-R295 PolarHBondContact O-N 3.38Å; R295-G297 PolarHBondContact O-N 3.42Å
296G34.9Very low51.9Low99 Ų99117.9 Ų117.9100%1.02167%0.666SS**  trans-64.955.5172.600000114.2
297G33.9Very low51.8Low56 Ų56119 Ų11958%0.57767%0.672SS**SBendtrans-145136.7179.100000110.8R295 G299R295-G297 PolarHBondContact O-N 3.42Å; G297-G299 PolarHBondContact O-N 3.25Å
298A42.2Very low52Low122 Ų122117.2 Ų117.2100%1.00867%0.668SS**  trans-66.175.9173.500000110.9
299G36.5Very low53.1Low64 Ų64109.9 Ų109.966%0.6664%0.635SS**  trans-94.4138.9171.200000110.6G297 Q301G297-G299 PolarHBondContact O-N 3.25Å; G299-Q301 PolarHBondContact O-N 2.62Å
300K40Very low55Low194 Ų194107.5 Ų107.584%0.84362%0.623SS**  trans-46.5128.5171-73.4174.9170.7-176.70109.4A302K300-A302 VanDerWaalsContact C-N 3.28Å; K300-A302 PolarHBondContact O-N 3.05Å
301Q39.9Very low57.4Low184 Ų184102.3 Ų102.386%0.8659%0.591SS**  trans-57.998164.4-81174.1-21.500106.9G299 T303G299-Q301 PolarHBondContact O-N 2.62Å; Q301-T303 PolarHBondContact O-N 3.4Å
302A41.3Very low59.8Low81 Ų81104.5 Ų104.567%0.66959%0.589SS**  trans-59.312615900000105.1K300 S304K300-A302 VanDerWaalsContact C-N 3.28Å; K300-A302 PolarHBondContact O-N 3.05Å; A302-S304 VanDerWaalsContact C-N 3.27Å; A302-S304 PolarHBondContact O-N 3Å
303T44.3Very low62.3Low129 Ų129103.6 Ų103.679%0.79158%0.581SS**  trans-60.896.6170.440.80000106.8Q301 E305Q301-T303 PolarHBondContact O-N 3.4Å; T303-E305 PolarHBondContact O-N 3.31Å
304S55.8Low65.1Low83 Ų8395.5 Ų95.558%0.5854%0.543SS*.  trans-49123.2164176.30000106.9A302 R306A302-S304 VanDerWaalsContact C-N 3.27Å; A302-S304 PolarHBondContact O-N 3Å; S304-R306 PolarHBondContact O-N 2.77Å
305E65.4Low68Low176 Ų17689.7 Ų89.782%0.82251%0.512SS*.  trans-54.8138.3174.6-76.2-177.5162.400108.2T303 E307T303-E305 PolarHBondContact O-N 3.31Å; E305-E307 PolarHBondContact O-N 2.83Å
306R82.5Confident70.8Confident140 Ų14088.3 Ų88.353%0.52851%0.512SS..  trans-61.5113.7177.7-75.5-169.2-178.1-1781.6108.8D236 L285 S304 A308D236-R306 VanDerWaalsContact OD2-CD 3.32Å; D236-R306 WeakPolarHBondContact OD2-CD 3.44Å; D236-R306 IonicContact OD2-CZ 3.22Å; D236-R306 IonicContact OD2-NH1 3.78Å; D236-R306 PolarHBondContact OD2-NH1 3.03Å; L285-R306 HydrophobicContact CD2-CG 4.19Å; S304-R306 PolarHBondContact O-N 2.77Å; R306-A308 PolarHBondContact O-N 2.84Å
307E91.5Very high73.8Confident89 Ų8988.2 Ų88.242%0.41648%0.483SS..  trans-86.3108.1169.5176.4-177.7-153.800108.8H167 T284 R287 E305H167-E307 IonicContact CE1-OE1 3.75Å; T284-E307 WeakPolarHBondContact CB-O 3.47Å; T284-E307 WeakPolarHBondContact CG2-O 3.41Å; R287-E307 IonicContact CZ-OE2 2.73Å; R287-E307 IonicContact NE-OE2 3.87Å; R287-E307 PolarHBondContact NH1-O 2.78Å; R287-E307 PolarHBondContact NH2-O 2.91Å; R287-E307 IonicContact NH2-OE2 2.88Å; E305-E307 PolarHBondContact O-N 2.83Å
308A95.3Very high76.9Confident10 Ų1086.1 Ų86.18%0.08346%0.458CS..  trans-63.6166.8175.500000112M234 V235 R306M234-A308 HydrophobicContact CB-CB 4.28Å; M234-A308 HydrophobicContact CE-CB 3.78Å; M234-A308 HydrophobicContact SD-CB 4.27Å; V235-A308 WeakPolarHBondContact O-CA 3.39Å; R306-A308 PolarHBondContact O-N 2.84Å
309F96.9Very high79.5Confident0 Ų082.1 Ų82.10%043%0.425CS..BIsolated β-bridgetrans-127152.8171.368.4-85.3000112.4H167 G168 V169 I173 V235 L238 M282 T284 A311 I314H167-F309 CarbonylContact O-C 3.58Å; H167-F309 WeakPolarHBondContact O-CA 3.42Å; H167-F309 WeakPolarHBondContact O-CB 3.17Å; G168-F309 VanDerWaalsContact C-CB 3.46Å; G168-F309 WeakPolarHBondContact O-CB 3.16Å; V169-F309 HydrophobicContact CG2-CB 4.15Å; V169-F309 HydrophobicContact CG2-CD2 4.02Å; V169-F309 HydrophobicContact CG2-CG 4.49Å; I173-F309 HydrophobicContact CD1-CB 4.23Å; I173-F309 HydrophobicContact CD1-CD1 3.69Å; I173-F309 HydrophobicContact CD1-CD2 4.44Å; I173-F309 HydrophobicContact CD1-CE1 4.11Å; I173-F309 HydrophobicContact CD1-CG 3.87Å; V235-F309 HydrophobicContact CB-CD1 4.48Å; V235-F309 HydrophobicContact CB-CE1 4.14Å; V235-F309 HydrophobicContact CB-CE2 4.18Å; V235-F309 HydrophobicContact CB-CZ 3.99Å; V235-F309 HydrophobicContact CG1-CE1 3.81Å; V235-F309 HydrophobicContact CG1-CE2 4.12Å; V235-F309 HydrophobicContact CG1-CZ 3.53Å; V235-F309 PolarHBondContact N-O 3.33Å; V235-F309 WeakPolarHBondContact O-CD1 2.99Å; V235-F309 WeakPolarHBondContact O-CE1 3.29Å; V235-F309 PolarHBondContact O-N 3.47Å; L238-F309 HydrophobicContact CB-CZ 3.92Å; M282-F309 HydrophobicContact CB-CE1 4.45Å; M282-F309 HydrophobicContact CB-CZ 4.09Å; M282-F309 HydrophobicContact CE-CD2 4.25Å; M282-F309 HydrophobicContact CE-CE2 3.9Å; M282-F309 HydrophobicContact CE-CZ 4.15Å; M282-F309 HydrophobicContact SD-CE2 4.34Å; M282-F309 HydrophobicContact SD-CZ 4.45Å; T284-F309 HydrophobicContact CG2-CD1 3.68Å; T284-F309 HydrophobicContact CG2-CE1 4.15Å; F309-A311 HydrophobicContact CD2-CB 4.22Å; F309-A311 HydrophobicContact CE2-CB 3.81Å; F309-A311 PolarHBondContact O-N 2.89Å; F309-I314 HydrophobicContact CD2-CD1 4.43Å; F309-I314 HydrophobicContact CE2-CD1 4.25Å
310D98.1Very high82.4Confident18 Ų1885.6 Ų85.610%0.09643%0.429CS..  trans-84.5107.5176.8-174-11.6000110.2D166 H167 A233 R312D166-D310 HydrophobicContact CB-CB 4.44Å; H167-D310 HydrophobicContact CB-CB 4.39Å; H167-D310 PolarHBondContact O-N 3.11Å; A233-D310 WeakPolarHBondContact O-CA 3.48Å; D310-R312 VanDerWaalsContact OD1-CB 3.29Å; D310-R312 WeakPolarHBondContact OD1-CB 3.47Å; D310-R312 VanDerWaalsContact OD1-CG 3.24Å; D310-R312 WeakPolarHBondContact OD1-CG 3.39Å; D310-R312 IonicContact OD1-CZ 3.29Å; D310-R312 PolarHBondContact OD1-N 3.5Å; D310-R312 IonicContact OD1-NE 3.29Å; D310-R312 PolarHBondContact OD1-NE 2.99Å; D310-R312 IonicContact OD1-NH2 3.34Å; D310-R312 IonicContact OD2-CZ 3.63Å; D310-R312 VanDerWaalsContact OD2-CZ 3.29Å; D310-R312 IonicContact OD2-NE 3.94Å; D310-R312 PolarHBondContact OD2-NE 3.16Å; D310-R312 VanDerWaalsContact OD2-NE 3.13Å; D310-R312 IonicContact OD2-NH2 3.85Å; D310-R312 PolarHBondContact OD2-NH2 3.13Å
311A98Very high85.2Confident0 Ų078.7 Ų78.70%040%0.398CS..  trans-92.4-0.8-17800000113.3P232 V235 F309 N313 I314 L315P232-A311 PolarHBondContact O-N 3.32Å; V235-A311 HydrophobicContact CB-CB 4.14Å; V235-A311 HydrophobicContact CG2-CB 3.67Å; F309-A311 HydrophobicContact CD2-CB 4.22Å; F309-A311 HydrophobicContact CE2-CB 3.81Å; F309-A311 PolarHBondContact O-N 2.89Å; A311-N313 PolarHBondContact O-N 3.14Å; A311-I314 WeakPolarHBondContact O-CB 3.34Å; A311-I314 PolarHBondContact O-N 2.97Å; A311-I314 VanDerWaalsContact O-N 3.08Å; A311-L315 HydrophobicContact CB-CD1 4.2Å; A311-L315 HydrophobicContact CB-CG 4.31Å; A311-L315 WeakPolarHBondContact O-CB 3.34Å; A311-L315 VanDerWaalsContact O-CG 3.3Å; A311-L315 WeakPolarHBondContact O-CG 3.26Å; A311-L315 PolarHBondContact O-N 3.14Å
312R98.2Very high88Confident139 Ų13972.7 Ų72.753%0.52538%0.376SS..Hα-helixtrans-57.9-44.8-170.9-68.8177.4-66.5-179.6-0.2113P232 D310 K316P232-R312 HydrophobicContact CB-CG 3.94Å; P232-R312 HydrophobicContact CG-CG 4.04Å; P232-R312 PolarHBondContact O-N 2.99Å; D310-R312 VanDerWaalsContact OD1-CB 3.29Å; D310-R312 WeakPolarHBondContact OD1-CB 3.47Å; D310-R312 VanDerWaalsContact OD1-CG 3.24Å; D310-R312 WeakPolarHBondContact OD1-CG 3.39Å; D310-R312 IonicContact OD1-CZ 3.29Å; D310-R312 PolarHBondContact OD1-N 3.5Å; D310-R312 IonicContact OD1-NE 3.29Å; D310-R312 PolarHBondContact OD1-NE 2.99Å; D310-R312 IonicContact OD1-NH2 3.34Å; D310-R312 IonicContact OD2-CZ 3.63Å; D310-R312 VanDerWaalsContact OD2-CZ 3.29Å; D310-R312 IonicContact OD2-NE 3.94Å; D310-R312 PolarHBondContact OD2-NE 3.16Å; D310-R312 VanDerWaalsContact OD2-NE 3.13Å; D310-R312 IonicContact OD2-NH2 3.85Å; D310-R312 PolarHBondContact OD2-NH2 3.13Å; R312-K316 WeakPolarHBondContact O-CB 3.26Å; R312-K316 PolarHBondContact O-N 2.82Å
313N98.3Very high90.7Very high61 Ų6169 Ų6933%0.32635%0.345SS..Hα-helixtrans-72.6-34.4178.1-76.9-35000112.2D166 A311 K316 K317D166-N313 PolarHBondContact OD1-ND2 3.32Å; D166-N313 WeakPolarHBondContact OD2-CB 3.21Å; D166-N313 PolarHBondContact OD2-ND2 3.1Å; A311-N313 PolarHBondContact O-N 3.14Å; N313-K316 PolarHBondContact O-N 2.93Å; N313-K317 WeakPolarHBondContact O-CB 3.48Å; N313-K317 VanDerWaalsContact O-CG 3.31Å; N313-K317 WeakPolarHBondContact O-CG 3.38Å; N313-K317 PolarHBondContact O-N 3.36Å; N313-K317 VanDerWaalsContact O-N 3.08Å
314I98.4Very high93.3Very high0 Ų063.6 Ų63.60%031%0.314CS..Hα-helixtrans-61.4-51.8173.8-57.9177.5000109.2F155 V159 C163 V169 I225 L238 M282 F309 A311 K316 K317 F318F155-I314 HydrophobicContact CZ-CG2 4.14Å; V159-I314 HydrophobicContact CG1-CD1 3.7Å; V159-I314 HydrophobicContact CG1-CG1 3.95Å; V159-I314 HydrophobicContact CG2-CG2 4.14Å; C163-I314 HydrophobicContact CB-CG1 3.98Å; V169-I314 HydrophobicContact CG1-CD1 4.35Å; V169-I314 HydrophobicContact CG2-CD1 4.02Å; I225-I314 HydrophobicContact CD1-CG2 3.81Å; L238-I314 HydrophobicContact CD2-CG2 3.94Å; M282-I314 HydrophobicContact CE-CD1 4.09Å; M282-I314 HydrophobicContact SD-CD1 4.15Å; F309-I314 HydrophobicContact CD2-CD1 4.43Å; F309-I314 HydrophobicContact CE2-CD1 4.25Å; A311-I314 WeakPolarHBondContact O-CB 3.34Å; A311-I314 PolarHBondContact O-N 2.97Å; A311-I314 VanDerWaalsContact O-N 3.08Å; I314-K316 VanDerWaalsContact C-N 3.33Å; I314-K316 PolarHBondContact O-N 3.33Å; I314-K317 PolarHBondContact O-N 3.33Å; I314-F318 HydrophobicContact CG2-CD2 4.07Å; I314-F318 WeakPolarHBondContact O-CB 3.36Å; I314-F318 VanDerWaalsContact O-CD2 3.31Å; I314-F318 WeakPolarHBondContact O-CD2 3.42Å; I314-F318 PolarHBondContact O-N 3.05Å
315L98Very high95.3Very high33 Ų3363.5 Ų63.517%0.17331%0.305CS..Hα-helixtrans-59.1-44.1177.7-66.5168.1000111.3I225 Y227 P232 L238 A311 K317 A319I225-L315 HydrophobicContact CD1-CD2 4.08Å; I225-L315 HydrophobicContact CG1-CD2 4.12Å; Y227-L315 HydrophobicContact CD1-CD1 3.66Å; Y227-L315 HydrophobicContact CD1-CD2 4.05Å; Y227-L315 HydrophobicContact CD1-CG 4.47Å; Y227-L315 HydrophobicContact CE1-CD1 3.57Å; Y227-L315 HydrophobicContact CE1-CD2 4.49Å; P232-L315 HydrophobicContact CB-CD1 3.72Å; L238-L315 HydrophobicContact CD1-CD2 4.06Å; A311-L315 HydrophobicContact CB-CD1 4.2Å; A311-L315 HydrophobicContact CB-CG 4.31Å; A311-L315 WeakPolarHBondContact O-CB 3.34Å; A311-L315 VanDerWaalsContact O-CG 3.3Å; A311-L315 WeakPolarHBondContact O-CG 3.26Å; A311-L315 PolarHBondContact O-N 3.14Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 3.38Å; L315-A319 WeakPolarHBondContact O-CA 3.36Å; L315-A319 WeakPolarHBondContact O-CB 3.45Å; L315-A319 PolarHBondContact O-N 2.98Å
316K98Very high96.9Very high177 Ų17756 Ų5677%0.7727%0.27SS*.Hα-helixtrans-59.8-37.1178.4-176.3177.2178.6179.90113.3R312 N313 I314R312-K316 WeakPolarHBondContact O-CB 3.26Å; R312-K316 PolarHBondContact O-N 2.82Å; N313-K316 PolarHBondContact O-N 2.93Å; I314-K316 VanDerWaalsContact C-N 3.33Å; I314-K316 PolarHBondContact O-N 3.33Å
317K98.1Very high97.6Very high97 Ų9755.6 Ų55.642%0.42227%0.274SS..Hα-helixtrans-93.7-31.9-173.6-68.5170.3-179.5-133.10113.2Q162 N313 I314 L315Q162-K317 HydrophobicContact CB-CD 4.24Å; N313-K317 WeakPolarHBondContact O-CB 3.48Å; N313-K317 VanDerWaalsContact O-CG 3.31Å; N313-K317 WeakPolarHBondContact O-CG 3.38Å; N313-K317 PolarHBondContact O-N 3.36Å; N313-K317 VanDerWaalsContact O-N 3.08Å; I314-K317 PolarHBondContact O-N 3.33Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 3.38Å
318F98.4Very high97.9Very high12 Ų1251.6 Ų51.65%0.05326%0.255CS..Hα-helixtrans-124.59.6-167.5-54.7-83.4000114.2F155 E158 V159 I225 I314 N320 Y321F155-F318 HydrophobicContact CD2-CB 4.34Å; F155-F318 HydrophobicContact CD2-CD1 4.18Å; F155-F318 HydrophobicContact CD2-CG 4.33Å; F155-F318 HydrophobicContact CE2-CB 3.73Å; F155-F318 HydrophobicContact CE2-CD1 4.28Å; F155-F318 AromaticContact CE2-CG 3.96Å; F155-F318 HydrophobicContact CE2-CG 3.96Å; E158-F318 HydrophobicContact CB-CE1 3.98Å; E158-F318 HydrophobicContact CB-CZ 4.11Å; E158-F318 HydrophobicContact CG-CE1 3.55Å; E158-F318 HydrophobicContact CG-CZ 3.67Å; V159-F318 HydrophobicContact CG2-CD2 3.88Å; V159-F318 HydrophobicContact CG2-CE2 3.68Å; V159-F318 HydrophobicContact CG2-CG 4.42Å; V159-F318 HydrophobicContact CG2-CZ 4.03Å; I225-F318 HydrophobicContact CD1-CB 3.9Å; I225-F318 WeakPolarHBondContact CG1-O 3.35Å; I314-F318 HydrophobicContact CG2-CD2 4.07Å; I314-F318 WeakPolarHBondContact O-CB 3.36Å; I314-F318 VanDerWaalsContact O-CD2 3.31Å; I314-F318 WeakPolarHBondContact O-CD2 3.42Å; I314-F318 PolarHBondContact O-N 3.05Å; F318-N320 PolarHBondContact O-N 2.84Å; F318-Y321 AromaticContact CD1-CD2 3.96Å; F318-Y321 HydrophobicContact CD1-CD2 3.96Å; F318-Y321 VanDerWaalsContact O-CB 3.24Å; F318-Y321 WeakPolarHBondContact O-CB 3.26Å; F318-Y321 PolarHBondContact O-N 3.46Å
319A97.2Very high98Very high38 Ų3853.5 Ų53.531%0.31426%0.264SS..THydrogen-bonded Turntrans-45.2-37.9-178.700000114.7G224 I225 L315G224-A319 CarbonylContact C-O 3.48Å; G224-A319 WeakPolarHBondContact CA-O 3.48Å; I225-A319 PolarHBondContact N-O 3.32Å; L315-A319 WeakPolarHBondContact O-CA 3.36Å; L315-A319 WeakPolarHBondContact O-CB 3.45Å; L315-A319 PolarHBondContact O-N 2.98Å
320N97.6Very high98.1Very high136 Ų13655.1 Ų55.173%0.72727%0.274SS*.THydrogen-bonded Turntrans-113.825.5-177.9-58.6-38.4000112.6F318 S322F318-N320 PolarHBondContact O-N 2.84Å; N320-S322 PolarHBondContact O-N 3.28Å
321Y98.6Very high98.1Very high49 Ų4954.3 Ų54.319%0.19227%0.269CS..  trans-62.5133-179.4-175.8-92.2000111.4G151 T154 F155 T223 G224 F318 F323G151-Y321 PolarHBondContact O-OH 2.98Å; T154-Y321 WeakPolarHBondContact CB-OH 3.49Å; T154-Y321 WeakPolarHBondContact CG2-OH 3.22Å; F155-Y321 HydrophobicContact CB-CD1 4.08Å; F155-Y321 HydrophobicContact CB-CE1 3.57Å; F155-Y321 AromaticContact CD2-CD1 3.8Å; F155-Y321 HydrophobicContact CD2-CD1 3.8Å; F155-Y321 HydrophobicContact CD2-CD2 4.36Å; F155-Y321 HydrophobicContact CD2-CE1 4.17Å; F155-Y321 AromaticContact CD2-CG 3.91Å; F155-Y321 HydrophobicContact CD2-CG 3.91Å; F155-Y321 HydrophobicContact CG-CD1 4.31Å; F155-Y321 HydrophobicContact CG-CE1 4.29Å; F155-Y321 PolarHBondContact N-OH 3.19Å; T223-Y321 CarbonylContact C-O 3.59Å; T223-Y321 WeakPolarHBondContact CA-O 3.39Å; G224-Y321 PolarHBondContact N-O 3.1Å; F318-Y321 AromaticContact CD1-CD2 3.96Å; F318-Y321 HydrophobicContact CD1-CD2 3.96Å; F318-Y321 VanDerWaalsContact O-CB 3.24Å; F318-Y321 WeakPolarHBondContact O-CB 3.26Å; F318-Y321 PolarHBondContact O-N 3.46Å; Y321-F323 HydrophobicContact CD1-CD1 4.01Å; Y321-F323 AromaticContact CD1-CD2 3.92Å; Y321-F323 HydrophobicContact CD1-CD2 3.92Å; Y321-F323 AromaticContact CD1-CE1 3.97Å; Y321-F323 HydrophobicContact CD1-CE1 3.97Å; Y321-F323 AromaticContact CD1-CE2 3.89Å; Y321-F323 HydrophobicContact CD1-CE2 3.89Å; Y321-F323 AromaticContact CD1-CG 3.98Å; Y321-F323 HydrophobicContact CD1-CG 3.98Å; Y321-F323 AromaticContact CD1-CZ 3.91Å; Y321-F323 HydrophobicContact CD1-CZ 3.91Å; Y321-F323 AromaticContact CE1-CD1 3.92Å; Y321-F323 HydrophobicContact CE1-CD1 3.92Å; Y321-F323 HydrophobicContact CE1-CE1 4.15Å; Y321-F323 HydrophobicContact CE1-CG 4.11Å
322S98.3Very high98.1Very high59 Ų5955.8 Ų55.841%0.41328%0.276SS..EExtended strand (participates in β ladder)trans-95116.2175.5-172.80000109.9T223 N320T223-S322 PolarHBondContact OG1-OG 3.24Å; T223-S322 VanDerWaalsContact OG1-OG 3.13Å; N320-S322 PolarHBondContact O-N 3.28Å
323F98.6Very high98.1Very high4 Ų449.1 Ų49.12%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-81.8-26.3175.7-63.3-93.8000111.6V148 G151 F152 F155 V222 I225 A240 V281 Y321V148-F323 WeakPolarHBondContact CA-O 3.48Å; V148-F323 HydrophobicContact CG1-CB 4.33Å; G151-F323 WeakPolarHBondContact CA-O 3.5Å; F152-F323 HydrophobicContact CB-CD1 4.25Å; F152-F323 HydrophobicContact CD2-CE1 4.35Å; F155-F323 HydrophobicContact CB-CD1 4.29Å; F155-F323 HydrophobicContact CB-CE1 3.73Å; F155-F323 HydrophobicContact CB-CZ 4.5Å; F155-F323 AromaticContact CD1-CE1 3.81Å; F155-F323 HydrophobicContact CD1-CE1 3.81Å; F155-F323 HydrophobicContact CD1-CZ 4.21Å; F155-F323 AromaticContact CD2-CE1 3.99Å; F155-F323 HydrophobicContact CD2-CE1 3.99Å; F155-F323 AromaticContact CD2-CZ 3.91Å; F155-F323 HydrophobicContact CD2-CZ 3.91Å; F155-F323 HydrophobicContact CE1-CE1 4.42Å; F155-F323 HydrophobicContact CE1-CZ 4.42Å; F155-F323 HydrophobicContact CE2-CZ 4.14Å; F155-F323 AromaticContact CG-CE1 3.56Å; F155-F323 HydrophobicContact CG-CE1 3.56Å; F155-F323 AromaticContact CG-CZ 3.95Å; F155-F323 HydrophobicContact CG-CZ 3.95Å; F155-F323 HydrophobicContact CZ-CZ 4.39Å; V222-F323 HydrophobicContact CB-CB 4.01Å; V222-F323 HydrophobicContact CG1-CB 3.76Å; V222-F323 HydrophobicContact CG1-CD2 3.87Å; V222-F323 HydrophobicContact CG1-CG 4.03Å; V222-F323 WeakPolarHBondContact O-CB 3.38Å; V222-F323 PolarHBondContact O-N 2.84Å; I225-F323 HydrophobicContact CG2-CE2 3.72Å; I225-F323 HydrophobicContact CG2-CZ 3.71Å; A240-F323 HydrophobicContact CB-CD2 3.87Å; A240-F323 HydrophobicContact CB-CE2 3.58Å; A240-F323 HydrophobicContact CB-CZ 4.1Å; V281-F323 HydrophobicContact CG1-CE1 4.04Å; V281-F323 HydrophobicContact CG1-CZ 4.1Å; Y321-F323 HydrophobicContact CD1-CD1 4.01Å; Y321-F323 AromaticContact CD1-CD2 3.92Å; Y321-F323 HydrophobicContact CD1-CD2 3.92Å; Y321-F323 AromaticContact CD1-CE1 3.97Å; Y321-F323 HydrophobicContact CD1-CE1 3.97Å; Y321-F323 AromaticContact CD1-CE2 3.89Å; Y321-F323 HydrophobicContact CD1-CE2 3.89Å; Y321-F323 AromaticContact CD1-CG 3.98Å; Y321-F323 HydrophobicContact CD1-CG 3.98Å; Y321-F323 AromaticContact CD1-CZ 3.91Å; Y321-F323 HydrophobicContact CD1-CZ 3.91Å; Y321-F323 AromaticContact CE1-CD1 3.92Å; Y321-F323 HydrophobicContact CE1-CD1 3.92Å; Y321-F323 HydrophobicContact CE1-CE1 4.15Å; Y321-F323 HydrophobicContact CE1-CG 4.11Å
324G98.1Very high98.1Very high14 Ų1446.2 Ų46.214%0.14424%0.236CC..EExtended strand (participates in β ladder)trans142-177.817600000113.4V222V222-G324 PolarHBondContact N-O 2.78Å
325E98.1Very high98Very high81 Ų8147.8 Ų47.838%0.37924%0.243SC..EExtended strand (participates in β ladder)trans-134138.5-174.9-60.9178.7138.700109.8K147 L220 E221 K245K147-E325 WeakPolarHBondContact CD-O 3.5Å; L220-E325 WeakPolarHBondContact O-CA 3.29Å; E221-E325 HydrophobicContact CB-CG 4.35Å; E221-E325 HydrophobicContact CG-CG 4.07Å; K245-E325 WeakPolarHBondContact CE-OE1 3.24Å; K245-E325 WeakPolarHBondContact CE-OE2 3.32Å; K245-E325 IonicContact NZ-OE1 3.8Å; K245-E325 PolarHBondContact NZ-OE1 3.4Å; K245-E325 VanDerWaalsContact NZ-OE1 3.12Å; K245-E325 IonicContact NZ-OE2 3.12Å; K245-E325 PolarHBondContact NZ-OE2 3.31Å
326F98.4Very high97.7Very high19 Ų1949.1 Ų49.18%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-155.4172.2-17876.7-72.3000111.4L143 D145 V148 L220 V222 L328L143-F326 HydrophobicContact CD2-CE1 3.93Å; L143-F326 HydrophobicContact CD2-CZ 3.65Å; D145-F326 HydrophobicContact CB-CB 3.62Å; D145-F326 HydrophobicContact CB-CD1 4.47Å; D145-F326 HydrophobicContact CB-CD2 3.86Å; D145-F326 HydrophobicContact CB-CG 3.74Å; D145-F326 VanDerWaalsContact CG-CB 3.48Å; V148-F326 HydrophobicContact CG2-CD1 3.74Å; V148-F326 HydrophobicContact CG2-CE1 4.27Å; V148-F326 HydrophobicContact CG2-CG 4.42Å; L220-F326 HydrophobicContact CB-CD1 4.28Å; L220-F326 HydrophobicContact CB-CE1 3.88Å; L220-F326 HydrophobicContact CB-CZ 4.33Å; L220-F326 HydrophobicContact CD1-CE1 4.19Å; L220-F326 HydrophobicContact CD1-CZ 3.9Å; L220-F326 PolarHBondContact N-O 3.05Å; L220-F326 PolarHBondContact O-N 2.85Å; L220-F326 VanDerWaalsContact O-N 3.11Å; V222-F326 HydrophobicContact CG2-CD1 4.42Å; V222-F326 HydrophobicContact CG2-CE1 3.97Å; F326-L328 HydrophobicContact CE2-CB 3.91Å; F326-L328 HydrophobicContact CE2-CD1 4.12Å; F326-L328 HydrophobicContact CZ-CB 4.24Å; F326-L328 HydrophobicContact CZ-CD1 4.45Å
327E97.9Very high97.3Very high132 Ų13248 Ų4862%0.61724%0.238SC*.EExtended strand (participates in β ladder)trans-103.6110.3176-68.9-172.8155.500109.9P217 N329P217-E327 HydrophobicContact CB-CB 3.76Å; P217-E327 HydrophobicContact CB-CG 4.43Å; E327-N329 PolarHBondContact O-N 3.14Å
328L97.9Very high97Very high4 Ų444.3 Ų44.32%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-77.2123.3174.7178.770.3000109.2L141 P217 L218 L220 L251 F326 F353L141-L328 HydrophobicContact CB-CD1 4.17Å; L141-L328 HydrophobicContact CB-CD2 3.96Å; L141-L328 HydrophobicContact CD1-CD2 3.93Å; L141-L328 HydrophobicContact CD2-CD2 4.16Å; L141-L328 HydrophobicContact CG-CD2 4.24Å; P217-L328 CarbonylContact C-O 3.53Å; P217-L328 WeakPolarHBondContact CA-O 3.2Å; L218-L328 PolarHBondContact N-O 2.82Å; L218-L328 PolarHBondContact O-N 2.97Å; L220-L328 HydrophobicContact CD1-CB 3.58Å; L220-L328 HydrophobicContact CD1-CD2 3.7Å; L220-L328 HydrophobicContact CD1-CG 4.2Å; L220-L328 HydrophobicContact CG-CB 3.92Å; L251-L328 HydrophobicContact CD1-CD2 3.95Å; F326-L328 HydrophobicContact CE2-CB 3.91Å; F326-L328 HydrophobicContact CE2-CD1 4.12Å; F326-L328 HydrophobicContact CZ-CB 4.24Å; F326-L328 HydrophobicContact CZ-CD1 4.45Å; L328-F353 HydrophobicContact CB-CE2 4.32Å; L328-F353 HydrophobicContact CD2-CE2 3.65Å; L328-F353 HydrophobicContact CD2-CZ 3.81Å; L328-F353 HydrophobicContact CG-CE2 3.65Å; L328-F353 HydrophobicContact CG-CZ 3.98Å; L328-F353 WeakPolarHBondContact O-CD2 3.49Å
329N97.5Very high96.8Very high50 Ų5048 Ų4827%0.26725%0.248SC..  trans-126.17.1-179.5-160.436.5000114.1P217 E327 S352 F353 S354P217-N329 HydrophobicContact CB-CB 4.12Å; P217-N329 HydrophobicContact CG-CB 4.23Å; E327-N329 PolarHBondContact O-N 3.14Å; N329-S352 PolarHBondContact ND2-OG 3.02Å; N329-S352 CarbonylContact O-C 3.45Å; N329-S352 VanDerWaalsContact O-CA 3.25Å; N329-S352 WeakPolarHBondContact O-CA 3.41Å; N329-F353 PolarHBondContact O-N 3.23Å; N329-F353 WeakPolarHBondContact OD1-CB 3.25Å; N329-F353 PolarHBondContact OD1-N 3.1Å; N329-S354 PolarHBondContact ND2-OG 2.94Å; N329-S354 PolarHBondContact OD1-N 2.91Å; N329-S354 VanDerWaalsContact OD1-N 3.16Å; N329-S354 PolarHBondContact OD1-OG 3.33Å
330T97.4Very high96.6Very high35 Ų3548.7 Ų48.722%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-149.4148.2-175.7-168.20000113.5P142 Q332 I351P142-T330 HydrophobicContact CG-CG2 3.98Å; T330-Q332 HydrophobicContact CG2-CG 4.34Å; T330-I351 VanDerWaalsContact CA-O 3.25Å; T330-I351 WeakPolarHBondContact CA-O 3.41Å; T330-I351 WeakPolarHBondContact CB-O 3.31Å; T330-I351 PolarHBondContact OG1-O 3.13Å
331V98.1Very high96.4Very high0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-115.6141.215956.90000108.8S140 L141 L202 I209 L258 S350 I351 F353S140-V331 WeakPolarHBondContact O-CA 3.35Å; L141-V331 HydrophobicContact CD2-CB 3.51Å; L141-V331 HydrophobicContact CD2-CG2 3.77Å; L202-V331 HydrophobicContact CD1-CG1 3.95Å; L202-V331 HydrophobicContact CD1-CG2 4.43Å; I209-V331 HydrophobicContact CD1-CG1 4.13Å; L258-V331 HydrophobicContact CD1-CB 4.5Å; L258-V331 HydrophobicContact CD1-CG2 3.94Å; V331-S350 VanDerWaalsContact O-CA 3.31Å; V331-S350 WeakPolarHBondContact O-CA 3.21Å; V331-I351 HydrophobicContact CG1-CD1 3.44Å; V331-I351 VanDerWaalsContact CG1-CD1 3.44Å; V331-I351 HydrophobicContact CG1-CG1 3.18Å; V331-I351 PolarHBondContact N-O 2.93Å; V331-I351 PolarHBondContact O-N 3.28Å; V331-I351 VanDerWaalsContact O-N 3.1Å; V331-F353 HydrophobicContact CB-CE1 4.38Å; V331-F353 HydrophobicContact CG1-CE1 4.33Å
332Q98.3Very high96.1Very high31 Ų3150.6 Ų50.615%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-122.8140.5-177-56.4-1728.700111.5L139 S140 P142 T330 S334L139-Q332 CarbonylContact C-O 3.59Å; L139-Q332 WeakPolarHBondContact CA-O 3.27Å; S140-Q332 PolarHBondContact N-O 3.29Å; S140-Q332 PolarHBondContact O-N 3.46Å; P142-Q332 HydrophobicContact CG-CG 4.21Å; T330-Q332 HydrophobicContact CG2-CG 4.34Å; Q332-S334 PolarHBondContact O-N 3.09Å
333L98.5Very high95.9Very high0 Ų048.7 Ų48.70%026%0.262CS..EExtended strand (participates in β ladder)trans-82.293.8157.8-177.764.2000107.9H137 L139 L187 L189 A198 L202 A348 G349H137-L333 HydrophobicContact CB-CD1 3.89Å; H137-L333 HydrophobicContact CB-CG 4.43Å; L139-L333 HydrophobicContact CD2-CB 4.37Å; L139-L333 HydrophobicContact CD2-CD1 4.12Å; L187-L333 HydrophobicContact CD1-CD1 3.97Å; L187-L333 HydrophobicContact CD2-CD1 4.27Å; L189-L333 HydrophobicContact CD1-CD1 4.41Å; L189-L333 HydrophobicContact CD1-CD2 4.15Å; A198-L333 HydrophobicContact CB-CD2 3.69Å; L202-L333 HydrophobicContact CD2-CB 4.08Å; L333-A348 HydrophobicContact CD2-CB 4.02Å; L333-A348 HydrophobicContact CG-CB 4.18Å; L333-A348 PolarHBondContact O-N 2.99Å; L333-G349 PolarHBondContact N-O 3.42Å
334S98.3Very high95.8Very high0 Ų048.7 Ų48.70%026%0.262CS..EExtended strand (participates in β ladder)trans-86.5137.2-176.7-64.80000111.3H137 F138 S140 Q332H137-S334 CarbonylContact C-O 3.56Å; H137-S334 WeakPolarHBondContact CA-O 3.25Å; H137-S334 WeakPolarHBondContact CB-O 3.49Å; F138-S334 VanDerWaalsContact CZ-CB 3.43Å; F138-S334 PolarHBondContact N-O 3.27Å; F138-S334 PolarHBondContact O-N 2.86Å; S140-S334 PolarHBondContact OG-OG 3.43Å; Q332-S334 PolarHBondContact O-N 3.09Å
335Q97.1Very high95.7Very high33 Ų3349.7 Ų49.715%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-87.9132.4174.2-173.1-178.313.600110.1D2 S338 S346D2-Q335 PolarHBondContact OD1-NE2 3.45Å; D2-Q335 PolarHBondContact OD2-NE2 2.88Å; Q335-S338 PolarHBondContact O-OG 3.39Å; Q335-S346 WeakPolarHBondContact CB-O 3.19Å; Q335-S346 PolarHBondContact N-O 2.89Å
336R92.2Very high95.7Very high60 Ų6047.3 Ų47.323%0.22625%0.254CS..THydrogen-bonded Turntrans-71145.2178.4-167-169.7-178.8173.1-0.8110.5F135 T136 S338F135-R336 HydrophobicContact CD2-CG 4.49Å; F135-R336 VanDerWaalsContact CE1-NH1 3.26Å; F135-R336 HydrophobicContact CE2-CB 4.24Å; F135-R336 HydrophobicContact CE2-CG 3.86Å; F135-R336 HydrophobicContact CZ-CG 4.4Å; F135-R336 VanDerWaalsContact CZ-CZ 3.48Å; F135-R336 VanDerWaalsContact O-CD 3.3Å; F135-R336 WeakPolarHBondContact O-CD 3.32Å; F135-R336 PolarHBondContact O-NH1 3.21Å; F135-R336 VanDerWaalsContact O-NH1 3.17Å; T136-R336 VanDerWaalsContact O-CB 3.25Å; T136-R336 WeakPolarHBondContact O-CB 3.42Å; T136-R336 PolarHBondContact O-N 3.02Å; R336-S338 PolarHBondContact O-N 2.96Å
337Y89.4Confident95.6Very high155 Ų15548.9 Ų48.961%0.60827%0.267SS*.THydrogen-bonded Turntrans58.822.7178.8-53.8-62.4000115.2
338S91.8Very high95.5Very high19 Ų1944.4 Ų44.413%0.13325%0.253CS..  trans-112.9160.3171.2700000110.1K179 Q335 R336 S346K179-S338 PolarHBondContact NZ-O 3.31Å; Q335-S338 PolarHBondContact O-OG 3.39Å; R336-S338 PolarHBondContact O-N 2.96Å; S338-S346 WeakPolarHBondContact CB-OG 3.31Å; S338-S346 VanDerWaalsContact OG-CB 3.24Å; S338-S346 WeakPolarHBondContact OG-CB 3.32Å; S338-S346 PolarHBondContact OG-N 3.36Å; S338-S346 PolarHBondContact OG-OG 2.92Å
339T94.1Very high95.5Very high89 Ų8944.9 Ų44.955%0.54626%0.258SS..  trans-142.5130.7175.7-620000109.1K179 Y344 S346K179-T339 PolarHBondContact NZ-OG1 2.89Å; T339-Y344 CarbonylContact C-O 3.48Å; T339-Y344 WeakPolarHBondContact CA-O 3.49Å; T339-S346 VanDerWaalsContact C-OG 3.31Å; T339-S346 PolarHBondContact N-OG 2.72Å; T339-S346 PolarHBondContact O-OG 3.5Å
340D92.9Very high95.4Very high53 Ų5345.2 Ų45.228%0.28327%0.265SS..  trans-87.9-171.4173.867.113.5000112.2T342 G343 Y344D340-T342 PolarHBondContact O-N 3.39Å; D340-T342 PolarHBondContact OD1-N 3.41Å; D340-T342 PolarHBondContact OD1-OG1 3.5Å; D340-G343 PolarHBondContact O-N 2.93Å; D340-G343 PolarHBondContact OD1-N 3.26Å; D340-G343 VanDerWaalsContact OD1-N 3.13Å; D340-Y344 PolarHBondContact N-O 2.77Å; D340-Y344 PolarHBondContact OD1-N 3.16Å
341C92.6Very high95.4Very high133 Ų13343.9 Ų43.990%0.89926%0.256SS*.THydrogen-bonded Turntrans-69.2-17-179.760.50000114.2
342T91.9Very high95.3Very high92 Ų9245.7 Ų45.756%0.56427%0.269SS*.THydrogen-bonded Turntrans-92.6-2.6177.276.20000112.1D340 Y344D340-T342 PolarHBondContact O-N 3.39Å; D340-T342 PolarHBondContact OD1-N 3.41Å; D340-T342 PolarHBondContact OD1-OG1 3.5Å; T342-Y344 VanDerWaalsContact C-N 3.27Å; T342-Y344 PolarHBondContact OG1-N 2.83Å
343G94.3Very high95Very high19 Ų1944.2 Ų44.220%0.19626%0.262CS..SBendtrans85.4-5.7-173.400000113.8K179 D340K179-G343 VanDerWaalsContact CD-O 3.29Å; K179-G343 WeakPolarHBondContact CD-O 3.32Å; K179-G343 WeakPolarHBondContact CE-O 3.3Å; K179-G343 PolarHBondContact NZ-O 2.89Å; D340-G343 PolarHBondContact O-N 2.93Å; D340-G343 PolarHBondContact OD1-N 3.26Å; D340-G343 VanDerWaalsContact OD1-N 3.13Å
344Y96.9Very high94.3Very high3 Ų347.8 Ų47.81%0.01229%0.287CS..SBendtrans-76.9174.6175.9-165.4-107.4000110.2S140 P142 N144 A178 K179 H181 T339 D340 T342S140-Y344 WeakPolarHBondContact CB-OH 3.43Å; S140-Y344 PolarHBondContact OG-OH 3.31Å; P142-Y344 HydrophobicContact CB-CE2 4.17Å; P142-Y344 HydrophobicContact CG-CE1 4.16Å; N144-Y344 WeakPolarHBondContact ND2-CD2 3.41Å; A178-Y344 WeakPolarHBondContact O-CA 3.36Å; A178-Y344 WeakPolarHBondContact O-CD2 3.11Å; K179-Y344 PolarHBondContact NZ-O 2.84Å; H181-Y344 HydrophobicContact CB-CE2 4.06Å; H181-Y344 WeakPolarHBondContact CB-OH 3.33Å; T339-Y344 CarbonylContact C-O 3.48Å; T339-Y344 WeakPolarHBondContact CA-O 3.49Å; D340-Y344 PolarHBondContact N-O 2.77Å; D340-Y344 PolarHBondContact OD1-N 3.16Å; T342-Y344 VanDerWaalsContact C-N 3.27Å; T342-Y344 PolarHBondContact OG1-N 2.83Å
345Y96.8Very high94.1Very high36 Ų3650.2 Ų50.214%0.14130%0.301CS..PPolyproline II helixtrans-66.3139.7173.6-60.7-88.5000109.9F138 K179 H181 S347F138-Y345 HydrophobicContact CE1-CD1 4.08Å; F138-Y345 HydrophobicContact CE1-CE1 4.25Å; F138-Y345 HydrophobicContact CE1-CG 4.31Å; F138-Y345 HydrophobicContact CE2-CD2 4.45Å; F138-Y345 HydrophobicContact CE2-CE2 4.49Å; F138-Y345 AromaticContact CZ-CD1 3.84Å; F138-Y345 HydrophobicContact CZ-CD1 3.84Å; F138-Y345 AromaticContact CZ-CD2 3.73Å; F138-Y345 HydrophobicContact CZ-CD2 3.73Å; F138-Y345 AromaticContact CZ-CE1 3.95Å; F138-Y345 HydrophobicContact CZ-CE1 3.95Å; F138-Y345 AromaticContact CZ-CE2 3.84Å; F138-Y345 HydrophobicContact CZ-CE2 3.84Å; F138-Y345 AromaticContact CZ-CG 3.72Å; F138-Y345 HydrophobicContact CZ-CG 3.72Å; F138-Y345 AromaticContact CZ-CZ 3.94Å; K179-Y345 HydrophobicContact CB-CE2 3.97Å; K179-Y345 HydrophobicContact CD-CD1 4.28Å; K179-Y345 HydrophobicContact CD-CD2 3.8Å; K179-Y345 HydrophobicContact CD-CE1 4.09Å; K179-Y345 HydrophobicContact CD-CE2 3.58Å; K179-Y345 HydrophobicContact CD-CG 4.15Å; K179-Y345 HydrophobicContact CG-CE2 4.32Å; H181-Y345 AromaticContact CE1-CE2 3.6Å; H181-Y345 AromaticContact CE1-CZ 3.9Å; H181-Y345 AromaticContact ND1-CE2 3.59Å; Y345-S347 PolarHBondContact O-N 2.76Å
346S96.9Very high94Very high31 Ų3151.1 Ų51.122%0.21731%0.309CS..PPolyproline II helixtrans-61.9131.8173.6-500000109.6Q335 S338 T339Q335-S346 WeakPolarHBondContact CB-O 3.19Å; Q335-S346 PolarHBondContact N-O 2.89Å; S338-S346 WeakPolarHBondContact CB-OG 3.31Å; S338-S346 VanDerWaalsContact OG-CB 3.24Å; S338-S346 WeakPolarHBondContact OG-CB 3.32Å; S338-S346 PolarHBondContact OG-N 3.36Å; S338-S346 PolarHBondContact OG-OG 2.92Å; T339-S346 VanDerWaalsContact C-OG 3.31Å; T339-S346 PolarHBondContact N-OG 2.72Å; T339-S346 PolarHBondContact O-OG 3.5Å
347S96.3Very high94.1Very high52 Ų5250.6 Ų50.636%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-88.8128.6178.9179.60000110.5Y345 G349Y345-S347 PolarHBondContact O-N 2.76Å; S347-G349 VanDerWaalsContact OG-C 3.26Å; S347-G349 PolarHBondContact OG-N 2.76Å; S347-G349 PolarHBondContact OG-O 3.21Å
348A96.6Very high94.4Very high38 Ų3844.4 Ų44.431%0.31430%0.296SS..EExtended strand (participates in β ladder)trans-82.2-23.8168.100000111.9V195 C199 L333V195-A348 HydrophobicContact CG1-CB 3.85Å; C199-A348 PolarHBondContact SG-O 2.9Å; L333-A348 HydrophobicContact CD2-CB 4.02Å; L333-A348 HydrophobicContact CG-CB 4.18Å; L333-A348 PolarHBondContact O-N 2.99Å
349G96.6Very high94.5Very high14 Ų1446 Ų4614%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-172156.1176.900000110.9L333 S347L333-G349 PolarHBondContact N-O 3.42Å; S347-G349 VanDerWaalsContact OG-C 3.26Å; S347-G349 PolarHBondContact OG-N 2.76Å; S347-G349 PolarHBondContact OG-O 3.21Å
350S97.1Very high94.5Very high57 Ų5743.1 Ų43.140%0.39929%0.29SS..EExtended strand (participates in β ladder)trans-150.1161.7178.2620000111.2Q203 V331Q203-S350 PolarHBondContact NE2-O 3.3Å; V331-S350 VanDerWaalsContact O-CA 3.31Å; V331-S350 WeakPolarHBondContact O-CA 3.21Å
351I96.7Very high94.7Very high6 Ų642.4 Ų42.43%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-131.6151.7167.652.9168.2000109.8L202 C205 I209 T330 V331L202-I351 HydrophobicContact CD1-CD1 4.17Å; L202-I351 HydrophobicContact CD1-CG1 4.22Å; L202-I351 HydrophobicContact CG-CD1 4.48Å; L202-I351 HydrophobicContact CG-CG1 4.21Å; L202-I351 HydrophobicContact CG-CG2 4.26Å; C205-I351 HydrophobicContact CB-CD1 4.25Å; I209-I351 HydrophobicContact CD1-CD1 3.26Å; I209-I351 HydrophobicContact CD1-CG1 4.49Å; I209-I351 HydrophobicContact CG1-CD1 4.49Å; T330-I351 VanDerWaalsContact CA-O 3.25Å; T330-I351 WeakPolarHBondContact CA-O 3.41Å; T330-I351 WeakPolarHBondContact CB-O 3.31Å; T330-I351 PolarHBondContact OG1-O 3.13Å; V331-I351 HydrophobicContact CG1-CD1 3.44Å; V331-I351 VanDerWaalsContact CG1-CD1 3.44Å; V331-I351 HydrophobicContact CG1-CG1 3.18Å; V331-I351 PolarHBondContact N-O 2.93Å; V331-I351 PolarHBondContact O-N 3.28Å; V331-I351 VanDerWaalsContact O-N 3.1Å
352S95.4Very high94.8Very high38 Ų3835.5 Ų35.527%0.26624%0.244SC..EExtended strand (participates in β ladder)trans-96.1145.7173.5173.80000110.1N329 S354N329-S352 PolarHBondContact ND2-OG 3.02Å; N329-S352 CarbonylContact O-C 3.45Å; N329-S352 VanDerWaalsContact O-CA 3.25Å; N329-S352 WeakPolarHBondContact O-CA 3.41Å; S352-S354 PolarHBondContact OG-N 3.36Å; S352-S354 PolarHBondContact OG-O 3.13Å; S352-S354 PolarHBondContact OG-OG 2.98Å
353F92.4Very high95.1Very high0 Ų030.8 Ų30.80%022%0.217CC..  trans-78.5-27.9175-61.8-2.6000112.1L141 I209 R210 T213 G215 L218 L328 N329 V331L141-F353 HydrophobicContact CD2-CZ 4.24Å; I209-F353 HydrophobicContact CG2-CB 4.31Å; I209-F353 HydrophobicContact CG2-CD1 3.41Å; I209-F353 VanDerWaalsContact CG2-CD1 3.41Å; I209-F353 HydrophobicContact CG2-CE1 3.87Å; I209-F353 HydrophobicContact CG2-CG 3.94Å; R210-F353 WeakPolarHBondContact CG-O 3.26Å; T213-F353 HydrophobicContact CG2-CB 4.05Å; T213-F353 HydrophobicContact CG2-CD2 3.81Å; T213-F353 HydrophobicContact CG2-CE2 4.45Å; T213-F353 HydrophobicContact CG2-CG 4.02Å; T213-F353 PolarHBondContact OG1-O 2.82Å; G215-F353 WeakPolarHBondContact CA-O 3.18Å; L218-F353 HydrophobicContact CB-CD2 4.24Å; L218-F353 HydrophobicContact CB-CE2 4.25Å; L328-F353 HydrophobicContact CB-CE2 4.32Å; L328-F353 HydrophobicContact CD2-CE2 3.65Å; L328-F353 HydrophobicContact CD2-CZ 3.81Å; L328-F353 HydrophobicContact CG-CE2 3.65Å; L328-F353 HydrophobicContact CG-CZ 3.98Å; L328-F353 WeakPolarHBondContact O-CD2 3.49Å; N329-F353 PolarHBondContact O-N 3.23Å; N329-F353 WeakPolarHBondContact OD1-CB 3.25Å; N329-F353 PolarHBondContact OD1-N 3.1Å; V331-F353 HydrophobicContact CB-CE1 4.38Å; V331-F353 HydrophobicContact CG1-CE1 4.33Å
354S84.7Confident95.1Very high75 Ų7531.8 Ų31.852%0.52422%0.219SC..  trans-93.60173.465.30000112.3G215 N329 S352G215-S354 WeakPolarHBondContact O-CA 3.42Å; G215-S354 WeakPolarHBondContact O-CB 3.23Å; N329-S354 PolarHBondContact ND2-OG 2.94Å; N329-S354 PolarHBondContact OD1-N 2.91Å; N329-S354 VanDerWaalsContact OD1-N 3.16Å; N329-S354 PolarHBondContact OD1-OG 3.33Å; S352-S354 PolarHBondContact OG-N 3.36Å; S352-S354 PolarHBondContact OG-O 3.13Å; S352-S354 PolarHBondContact OG-OG 2.98Å

Retrieved 354 of 354 residues in 1211 ms (Link to these results)

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