G4LXT7_SCHMA Loading...

ADP-ribosylation factor-like protein 1

AlphaFold DB , UniProt , Accession G4LXT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 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
1M44.2Very low51Low253 Ų253139.3 Ų139.3100%1.24676%0.755SS**  061.10-76.5-88.4-92.600110.4
2G48.7Very low51.3Low82 Ų82141.9 Ų141.985%0.84575%0.754SS**  trans-133.98.9-16900000116.7
3G51.6Low51.6Low57 Ų57135.4 Ų135.459%0.58874%0.742SS**SBendtrans-109.3-8.4-168.700000117.1
4I54Low52.3Low145 Ų145130.3 Ų130.374%0.74472%0.721SS**SBendtrans-101.7-21-168.7-67.4175.3000113.2S6 L7I4-S6 PolarHBondContact O-N 3.42Å; I4-L7 PolarHBondContact O-N 3.45Å
5F54Low53.9Low194 Ų194130.4 Ų130.485%0.85171%0.711SS**Hα-helixtrans-70.8-31.3-176.2-107.8-85.9000114L7 F8F5-L7 VanDerWaalsContact C-N 3.3Å; F5-L7 PolarHBondContact O-N 3.49Å; F5-F8 PolarHBondContact O-N 3.08Å
6S52Low56.1Low85 Ų85127.6 Ų127.659%0.59469%0.691SS**Hα-helixtrans-75.9-16.7-178.763.40000113.8I4 S9I4-S6 PolarHBondContact O-N 3.42Å; S6-S9 PolarHBondContact O-OG 3.28Å; S6-S9 VanDerWaalsContact O-OG 3.07Å
7L51.9Low58.4Low131 Ų131121.1 Ų121.169%0.68666%0.655SS**Hα-helixtrans-79.6-32.8174.3-127.892.1000111.6I4 F5 S9 R10I4-L7 PolarHBondContact O-N 3.45Å; F5-L7 VanDerWaalsContact C-N 3.3Å; F5-L7 PolarHBondContact O-N 3.49Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.42Å; L7-R10 PolarHBondContact O-N 3.3Å
8F52Low60.5Low138 Ų138116.9 Ų116.961%0.60563%0.628SS**Hα-helixtrans-70.3-28-177.1-141.8-91000112.5F5 R10 L11 F12F5-F8 PolarHBondContact O-N 3.08Å; F8-R10 VanDerWaalsContact C-N 3.26Å; F8-R10 PolarHBondContact O-N 2.9Å; F8-L11 PolarHBondContact O-N 2.91Å; F8-L11 VanDerWaalsContact O-N 3.14Å; F8-F12 PolarHBondContact O-N 2.83Å
9S51.1Low62.5Low80 Ų80110.7 Ų110.756%0.55960%0.595SS**Hα-helixtrans-68.4-22.4175.860.70000113.5S6 L7S6-S9 PolarHBondContact O-OG 3.28Å; S6-S9 VanDerWaalsContact O-OG 3.07Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.42Å
10R49.5Very low64.3Low230 Ų230105.2 Ų105.287%0.86857%0.565SS**Hα-helixtrans-80.3-17.3172-83.6-174.6170.7177.7-2.3113.7L7 F8L7-R10 PolarHBondContact O-N 3.3Å; F8-R10 VanDerWaalsContact C-N 3.26Å; F8-R10 PolarHBondContact O-N 2.9Å
11L52.1Low66Low137 Ų137100.3 Ų100.372%0.71754%0.538SS*.Hα-helixtrans-86.5-8.5172.5-73.9173.7000113.2F8 G13F8-L11 PolarHBondContact O-N 2.91Å; F8-L11 VanDerWaalsContact O-N 3.14Å; L11-G13 PolarHBondContact O-N 3.44Å
12F54.2Low68.6Low171 Ų17188.2 Ų88.275%0.7548%0.479SS*.SBendtrans-68.582.6158.6-101.7-96000107.5F8 S14F8-F12 PolarHBondContact O-N 2.83Å; F12-S14 PolarHBondContact O-N 3.5Å
13G55.2Low70.9Confident57 Ų5784.3 Ų84.359%0.58844%0.439SS*.  trans-48.3143.4170.600000109.5L11 K15L11-G13 PolarHBondContact O-N 3.44Å; G13-K15 PolarHBondContact O-N 3.14Å
14S61.1Low73.2Confident64 Ų6482 Ų8245%0.44841%0.413SS..  trans-47.6112.9174.955.10000108.2F12 E16 N59F12-S14 PolarHBondContact O-N 3.5Å; S14-E16 PolarHBondContact O-N 3.35Å; S14-N59 WeakPolarHBondContact CB-O 3.29Å
15K76.3Confident75.3Confident132 Ų13277.2 Ų77.257%0.57439%0.389SS*.  trans-60109.2-178.6-174.8174.3179.8-178.20107G13 R17G13-K15 PolarHBondContact O-N 3.14Å; K15-R17 PolarHBondContact O-N 3.41Å
16E89.8Confident77.3Confident85 Ų8570.3 Ų70.340%0.39737%0.373SS..EExtended strand (participates in β ladder)trans-67.7131179.1-169.9167.913300108.2S14 K61 Q63S14-E16 PolarHBondContact O-N 3.35Å; E16-K61 CarbonylContact C-O 3.56Å; E16-K61 VanDerWaalsContact CA-O 3.28Å; E16-K61 WeakPolarHBondContact CA-O 3.2Å; E16-K61 HydrophobicContact CG-CD 4.45Å; E16-K61 WeakPolarHBondContact OE2-CE 3.44Å; E16-K61 IonicContact OE2-NZ 2.82Å; E16-K61 PolarHBondContact OE2-NZ 3.26Å; E16-Q63 HydrophobicContact CG-CB 4.35Å; E16-Q63 PolarHBondContact OE1-NE2 2.87Å
17R94.9Very high79.5Confident18 Ų1866.4 Ų66.47%0.06835%0.345CS..EExtended strand (participates in β ladder)trans-121.3132.3-178.5-67.3-63.5-167.8143.211.3109.5K15 K61 F62 Q63 D85 L176K15-R17 PolarHBondContact O-N 3.41Å; R17-K61 PolarHBondContact N-O 3.16Å; R17-F62 HydrophobicContact CB-CD1 3.68Å; R17-F62 HydrophobicContact CB-CE1 3.84Å; R17-F62 HydrophobicContact CG-CE1 4.3Å; R17-F62 CarbonylContact O-C 3.57Å; R17-F62 WeakPolarHBondContact O-CA 3.22Å; R17-Q63 PolarHBondContact O-N 3.13Å; R17-D85 VanDerWaalsContact CA-OD2 3.29Å; R17-D85 WeakPolarHBondContact CA-OD2 3.21Å; R17-D85 HydrophobicContact CB-CB 4.4Å; R17-D85 WeakPolarHBondContact CD-OD1 3.03Å; R17-D85 WeakPolarHBondContact CD-OD2 3.35Å; R17-D85 IonicContact CZ-OD1 2.64Å; R17-D85 IonicContact NH1-OD1 3.78Å; R17-D85 PolarHBondContact NH1-OD1 3.48Å; R17-L176 HydrophobicContact CB-CD1 4.39Å; R17-L176 HydrophobicContact CG-CD1 4.31Å; R17-L176 PolarHBondContact NH2-O 3.43Å
18R96.9Very high81.7Confident45 Ų4560.9 Ų60.917%0.1732%0.32CS..EExtended strand (participates in β ladder)trans-87.2123.5178.9-175.3-177.5175.894.31.7109.9W65 Y80 A82 N83 D85 A86R18-W65 VanDerWaalsContact CZ-CE2 3.44Å; R18-Y80 PolarHBondContact NH2-O 3.43Å; R18-Y80 VanDerWaalsContact NH2-O 3.13Å; R18-A82 PolarHBondContact NE-O 2.78Å; R18-N83 WeakPolarHBondContact CB-O 3.45Å; R18-N83 VanDerWaalsContact CD-O 3.3Å; R18-N83 WeakPolarHBondContact CD-O 3.32Å; R18-D85 PolarHBondContact N-OD2 3.47Å; R18-D85 WeakPolarHBondContact O-CB 3.31Å; R18-D85 PolarHBondContact O-N 3.2Å; R18-A86 PolarHBondContact O-N 2.99Å
19I98.3Very high83.9Confident0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-116.9135.7176.2-61.1-174.9000109.4F62 Q63 V64 W65 A86 I88 M169 L172I19-F62 HydrophobicContact CD1-CB 3.81Å; I19-F62 HydrophobicContact CD1-CD1 3.25Å; I19-F62 HydrophobicContact CD1-CD2 4.22Å; I19-F62 HydrophobicContact CD1-CE1 3.8Å; I19-F62 HydrophobicContact CD1-CG 3.5Å; I19-F62 VanDerWaalsContact CD1-CG 3.5Å; I19-F62 HydrophobicContact CD1-CZ 4.45Å; I19-F62 HydrophobicContact CG1-CB 4.31Å; I19-F62 HydrophobicContact CG1-CD1 3.81Å; I19-F62 HydrophobicContact CG1-CG 4.31Å; I19-Q63 PolarHBondContact N-O 3.23Å; I19-V64 HydrophobicContact CB-CG2 4.29Å; I19-V64 HydrophobicContact CG2-CG1 4.34Å; I19-V64 CarbonylContact O-C 3.59Å; I19-V64 WeakPolarHBondContact O-CA 3.4Å; I19-W65 PolarHBondContact O-N 2.83Å; I19-A86 VanDerWaalsContact CA-O 3.29Å; I19-A86 WeakPolarHBondContact CA-O 3.28Å; I19-A86 HydrophobicContact CG1-CB 4.34Å; I19-I88 HydrophobicContact CG2-CB 4.47Å; I19-I88 HydrophobicContact CG2-CD1 3.86Å; I19-I88 HydrophobicContact CG2-CG1 3.81Å; I19-M169 HydrophobicContact CD1-CE 4.44Å; I19-L172 HydrophobicContact CD1-CD2 3.54Å
20L98.7Very high86.1Confident0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-98130.7162.7-61.1-175.7000109.7L22 W65 Y81 T84 A86 I87 I88 L115L20-L22 HydrophobicContact CB-CD1 3.85Å; L20-L22 HydrophobicContact CB-CG 4.14Å; L20-L22 HydrophobicContact CD1-CD1 4.08Å; L20-W65 HydrophobicContact CD2-CB 3.6Å; L20-W65 HydrophobicContact CD2-CG 4.07Å; L20-Y81 HydrophobicContact CD1-CD1 3.56Å; L20-Y81 HydrophobicContact CD1-CE1 4.16Å; L20-T84 HydrophobicContact CB-CG2 4.3Å; L20-T84 HydrophobicContact CD1-CG2 4.05Å; L20-T84 WeakPolarHBondContact CD1-OG1 3.47Å; L20-T84 HydrophobicContact CG-CG2 3.73Å; L20-T84 WeakPolarHBondContact CG-OG1 3.41Å; L20-A86 PolarHBondContact N-O 3.3Å; L20-I87 CarbonylContact O-C 3.54Å; L20-I87 WeakPolarHBondContact O-CA 3.31Å; L20-I88 PolarHBondContact O-N 3.4Å; L20-L115 HydrophobicContact CD1-CD2 4.32Å
21I98.7Very high88.4Confident2 Ų242.1 Ų42.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-105.9119.8166.5-170.9174.9000109.6K29 I32 V64 W65 D66 L67 I88 V90I21-K29 HydrophobicContact CD1-CB 3.95Å; I21-K29 HydrophobicContact CD1-CG 4.46Å; I21-K29 HydrophobicContact CG1-CB 4.01Å; I21-K29 HydrophobicContact CG1-CD 4.37Å; I21-K29 HydrophobicContact CG1-CG 4.14Å; I21-I32 HydrophobicContact CD1-CB 4.35Å; I21-I32 HydrophobicContact CD1-CG2 4.21Å; I21-V64 HydrophobicContact CB-CG1 4.21Å; I21-V64 HydrophobicContact CG2-CG1 3.81Å; I21-W65 PolarHBondContact N-O 3.01Å; I21-D66 HydrophobicContact CG2-CB 3.47Å; I21-D66 VanDerWaalsContact CG2-CB 3.47Å; I21-L67 PolarHBondContact O-N 2.83Å; I21-I88 CarbonylContact C-O 3.52Å; I21-I88 VanDerWaalsContact CA-O 3.29Å; I21-I88 WeakPolarHBondContact CA-O 3.22Å; I21-I88 HydrophobicContact CB-CB 4.28Å; I21-I88 HydrophobicContact CD1-CG2 4.16Å; I21-I88 HydrophobicContact CG1-CB 4.08Å; I21-I88 HydrophobicContact CG1-CG2 3.98Å; I21-V90 HydrophobicContact CD1-CG2 3.87Å; I21-V90 HydrophobicContact CG1-CG2 3.77Å
22L98.7Very high90.6Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-135165-165.1-71.1168.5000110.9L20 K29 L67 W77 Y81 I87 I88 Y89 V90 M109L20-L22 HydrophobicContact CB-CD1 3.85Å; L20-L22 HydrophobicContact CB-CG 4.14Å; L20-L22 HydrophobicContact CD1-CD1 4.08Å; L22-K29 WeakPolarHBondContact O-CD 3.28Å; L22-L67 HydrophobicContact CD2-CB 3.89Å; L22-L67 HydrophobicContact CD2-CD1 3.51Å; L22-L67 HydrophobicContact CD2-CG 3.81Å; L22-W77 HydrophobicContact CD2-CB 4.26Å; L22-W77 HydrophobicContact CD2-CD2 3.56Å; L22-W77 HydrophobicContact CD2-CE3 3.97Å; L22-W77 HydrophobicContact CD2-CG 3.72Å; L22-W77 HydrophobicContact CD2-CZ2 4.27Å; L22-W77 HydrophobicContact CD2-CZ3 4.47Å; L22-Y81 HydrophobicContact CD1-CE1 4.13Å; L22-I87 HydrophobicContact CD1-CG2 4.2Å; L22-I88 PolarHBondContact N-O 3.11Å; L22-Y89 HydrophobicContact CB-CD2 3.94Å; L22-Y89 HydrophobicContact CB-CE2 4.34Å; L22-Y89 WeakPolarHBondContact O-CA 3.37Å; L22-V90 PolarHBondContact O-N 3.44Å; L22-M109 HydrophobicContact CB-SD 4.34Å; L22-M109 HydrophobicContact CD1-CG 4.41Å; L22-M109 HydrophobicContact CD1-SD 3.21Å; L22-M109 WeakPolarHBondContact CD1-SD 3.46Å; L22-M109 HydrophobicContact CG-SD 4.36Å
23G98.7Very high92.7Very high0 Ų027.5 Ų27.50%017%0.169CC..  trans131.3169.1-17500000112.3K29 G69 W77G23-K29 WeakPolarHBondContact O-CE 3.43Å; G23-K29 PolarHBondContact O-NZ 2.73Å; G23-G69 WeakPolarHBondContact O-CA 3.42Å; G23-W77 WeakPolarHBondContact O-CZ2 3.29Å
24L98.6Very high94.6Very high8 Ų827.5 Ų27.54%0.04215%0.151CC..  trans-61159.9-174.5-55.8-172.1000112.9A27 K29 R98 I101 E105L24-A27 VanDerWaalsContact O-CB 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.33Å; L24-A27 PolarHBondContact O-N 2.79Å; L24-K29 PolarHBondContact O-NZ 2.91Å; L24-R98 HydrophobicContact CD1-CB 3.79Å; L24-I101 HydrophobicContact CD1-CB 4.23Å; L24-I101 HydrophobicContact CD1-CG2 4.32Å; L24-I101 HydrophobicContact CD2-CG2 4.1Å; L24-E105 HydrophobicContact CD2-CG 3.97Å
25D97.7Very high96.2Very high44 Ų4427.5 Ų27.524%0.23514%0.142CC..THydrogen-bonded Turntrans-58144.4167.757.4-80.2000111A27 G69 Q70 R98D25-A27 PolarHBondContact O-N 3.07Å; D25-G69 PolarHBondContact N-O 3.01Å; D25-G69 VanDerWaalsContact N-O 3.14Å; D25-G69 VanDerWaalsContact OD1-O 3.1Å; D25-Q70 HydrophobicContact CB-CG 4.08Å; D25-R98 PolarHBondContact O-NH2 3.12Å; D25-R98 IonicContact OD1-NH1 3.75Å; D25-R98 PolarHBondContact OD1-NH1 3.05Å; D25-R98 IonicContact OD2-CZ 2.68Å; D25-R98 IonicContact OD2-NH1 3.13Å; D25-R98 PolarHBondContact OD2-NH1 3.34Å; D25-R98 IonicContact OD2-NH2 3.95Å
26G96.9Very high97.1Very high50 Ų5023.3 Ų23.352%0.51513%0.125SC..THydrogen-bonded Turntrans78.2-9.1-176.700000115.4G28 K126G26-G28 PolarHBondContact O-N 2.99Å; G26-G28 VanDerWaalsContact O-N 3.15Å; G26-K126 WeakPolarHBondContact O-CE 3.49Å; G26-K126 PolarHBondContact O-NZ 2.98Å
27A98.4Very high97.2Very high2 Ų222.6 Ų22.62%0.01712%0.122CC..SBendtrans-66.1-17.1-178.600000114.8L24 D25 V90 D92 N125L24-A27 VanDerWaalsContact O-CB 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.33Å; L24-A27 PolarHBondContact O-N 2.79Å; D25-A27 PolarHBondContact O-N 3.07Å; A27-V90 HydrophobicContact CB-CB 4.34Å; A27-V90 HydrophobicContact CB-CG1 4.05Å; A27-V90 WeakPolarHBondContact O-CG1 3.47Å; A27-D92 HydrophobicContact CB-CB 4.4Å; A27-N125 PolarHBondContact O-ND2 2.91Å
28G98.2Very high97Very high16 Ų1625.7 Ų25.717%0.16514%0.143CC..  trans98.617.9175.600000115.6G26 T30 T31 I32G26-G28 PolarHBondContact O-N 2.99Å; G26-G28 VanDerWaalsContact O-N 3.15Å; G28-T30 PolarHBondContact O-N 3.06Å; G28-T31 PolarHBondContact O-N 2.79Å; G28-I32 WeakPolarHBondContact O-CG1 3.5Å; G28-I32 PolarHBondContact O-N 3.42Å
29K98.3Very high96.6Very high10 Ų1025.7 Ų25.74%0.04316%0.156CC..Hα-helixtrans-52.2-55.6180-58.7-173.8-59.2-72.60113.4I21 L22 G23 L24 T31 I32 L33 D66 L67 V90I21-K29 HydrophobicContact CD1-CB 3.95Å; I21-K29 HydrophobicContact CD1-CG 4.46Å; I21-K29 HydrophobicContact CG1-CB 4.01Å; I21-K29 HydrophobicContact CG1-CD 4.37Å; I21-K29 HydrophobicContact CG1-CG 4.14Å; L22-K29 WeakPolarHBondContact O-CD 3.28Å; G23-K29 WeakPolarHBondContact O-CE 3.43Å; G23-K29 PolarHBondContact O-NZ 2.73Å; L24-K29 PolarHBondContact O-NZ 2.91Å; K29-T31 VanDerWaalsContact C-N 3.3Å; K29-T31 PolarHBondContact O-N 3.22Å; K29-I32 WeakPolarHBondContact O-CB 3.27Å; K29-I32 PolarHBondContact O-N 3.06Å; K29-I32 VanDerWaalsContact O-N 3.13Å; K29-L33 PolarHBondContact O-N 3.39Å; K29-D66 VanDerWaalsContact CB-OD1 3.23Å; K29-D66 WeakPolarHBondContact CB-OD1 3.43Å; K29-L67 WeakPolarHBondContact CE-O 3.46Å; K29-V90 HydrophobicContact CG-CB 3.86Å; K29-V90 HydrophobicContact CG-CG2 3.82Å
30T97.3Very high96.1Very high20 Ų2032.4 Ų32.412%0.12319%0.188CC..Hα-helixtrans-63.2-36.5-179.8-43.20000112.2G28 L33 Y34 T44 T47 D66G28-T30 PolarHBondContact O-N 3.06Å; T30-L33 WeakPolarHBondContact O-CB 3.3Å; T30-L33 PolarHBondContact O-N 2.82Å; T30-Y34 HydrophobicContact CG2-CD2 3.96Å; T30-Y34 HydrophobicContact CG2-CE2 3.53Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 3.24Å; T30-T44 HydrophobicContact CG2-CG2 3.63Å; T30-T47 PolarHBondContact OG1-OG1 2.63Å; T30-T47 VanDerWaalsContact OG1-OG1 3.12Å; T30-D66 WeakPolarHBondContact CA-OD2 3.41Å; T30-D66 VanDerWaalsContact CB-OD2 3.31Å; T30-D66 WeakPolarHBondContact CB-OD2 3.3Å; T30-D66 PolarHBondContact OG1-OD2 2.85Å
31T97.8Very high95.5Very high24 Ų2435.5 Ų35.515%0.14721%0.206CC..Hα-helixtrans-65.9-41174.7-550000111.4G28 K29 L33 R35 V41 A159G28-T31 PolarHBondContact O-N 2.79Å; K29-T31 VanDerWaalsContact C-N 3.3Å; K29-T31 PolarHBondContact O-N 3.22Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-R35 VanDerWaalsContact O-CB 3.23Å; T31-R35 WeakPolarHBondContact O-CB 3.44Å; T31-R35 PolarHBondContact O-N 2.91Å; T31-V41 HydrophobicContact CG2-CG1 4.14Å; T31-A159 HydrophobicContact CG2-CB 3.81Å
32I98.4Very high94.9Very high0 Ų038.3 Ų38.30%022%0.224CC..Hα-helixtrans-61.7-45.2173.6-69.4167.2000110.2I21 G28 K29 Y34 R35 L36 V90 L123 N125 A159 L165I21-I32 HydrophobicContact CD1-CB 4.35Å; I21-I32 HydrophobicContact CD1-CG2 4.21Å; G28-I32 WeakPolarHBondContact O-CG1 3.5Å; G28-I32 PolarHBondContact O-N 3.42Å; K29-I32 WeakPolarHBondContact O-CB 3.27Å; K29-I32 PolarHBondContact O-N 3.06Å; K29-I32 VanDerWaalsContact O-N 3.13Å; I32-Y34 PolarHBondContact O-N 2.96Å; I32-R35 PolarHBondContact O-N 2.81Å; I32-L36 HydrophobicContact CG2-CD1 3.9Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.33Å; I32-L36 PolarHBondContact O-N 3.08Å; I32-V90 HydrophobicContact CD1-CB 4.45Å; I32-V90 HydrophobicContact CD1-CG1 3.63Å; I32-V90 HydrophobicContact CD1-CG2 3.89Å; I32-L123 HydrophobicContact CD1-CD1 3.89Å; I32-L123 HydrophobicContact CG2-CD1 4.18Å; I32-N125 HydrophobicContact CD1-CB 4.34Å; I32-A159 HydrophobicContact CD1-CB 4.41Å; I32-A159 HydrophobicContact CG1-CB 3.48Å; I32-A159 VanDerWaalsContact CG1-CB 3.48Å; I32-L165 HydrophobicContact CG1-CD2 4.19Å; I32-L165 HydrophobicContact CG2-CD1 4.45Å; I32-L165 HydrophobicContact CG2-CD2 3.87Å
33L97Very high94.3Very high1 Ų145 Ų451%0.00527%0.265CS..Hα-helixtrans-56.6-53179.5179.659000111.4K29 T30 T31 R35 L36 Q37 E53 V55 V64 D66K29-L33 PolarHBondContact O-N 3.39Å; T30-L33 WeakPolarHBondContact O-CB 3.3Å; T30-L33 PolarHBondContact O-N 2.82Å; T31-L33 VanDerWaalsContact C-N 3.34Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 2.87Å; L33-L36 PolarHBondContact O-N 3.12Å; L33-Q37 WeakPolarHBondContact O-CB 3.45Å; L33-Q37 PolarHBondContact O-N 3.46Å; L33-E53 HydrophobicContact CD1-CB 4.05Å; L33-E53 HydrophobicContact CD2-CB 4.02Å; L33-E53 HydrophobicContact CD2-CG 3.71Å; L33-E53 HydrophobicContact CG-CB 4.22Å; L33-E53 HydrophobicContact CG-CG 4.18Å; L33-V55 HydrophobicContact CD1-CG2 3.81Å; L33-V64 HydrophobicContact CD1-CB 3.76Å; L33-V64 HydrophobicContact CD1-CG1 3.75Å; L33-V64 HydrophobicContact CD1-CG2 4.23Å; L33-D66 HydrophobicContact CD2-CB 3.82Å
34Y95.7Very high93.8Very high56 Ų5647.5 Ų47.522%0.2228%0.28CS..Hα-helixtrans-68-33.6179.1-66.8-45.2000112.6T30 I32 L36 Q37 V38 V42 T44 E53T30-Y34 HydrophobicContact CG2-CD2 3.96Å; T30-Y34 HydrophobicContact CG2-CE2 3.53Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 3.24Å; I32-Y34 PolarHBondContact O-N 2.96Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 3.13Å; Y34-Q37 PolarHBondContact O-N 3.31Å; Y34-V38 WeakPolarHBondContact O-CG2 3.39Å; Y34-V38 PolarHBondContact O-N 2.93Å; Y34-V42 HydrophobicContact CD2-CB 3.96Å; Y34-V42 HydrophobicContact CD2-CG1 4.37Å; Y34-V42 HydrophobicContact CD2-CG2 4.45Å; Y34-V42 HydrophobicContact CG-CB 4.31Å; Y34-V42 HydrophobicContact CG-CG2 4.31Å; Y34-T44 HydrophobicContact CD2-CG2 4.24Å; Y34-T44 HydrophobicContact CE2-CG2 4.39Å; Y34-E53 HydrophobicContact CE1-CG 4.44Å
35R95.4Very high93.3Very high65 Ų6553.9 Ų53.925%0.24531%0.313CS..Hα-helixtrans-60.8-40.7173.2-169.466.3172.4-169.2-3.1111.7T31 I32 L33 G39 K161 L165T31-R35 VanDerWaalsContact O-CB 3.23Å; T31-R35 WeakPolarHBondContact O-CB 3.44Å; T31-R35 PolarHBondContact O-N 2.91Å; I32-R35 PolarHBondContact O-N 2.81Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 2.87Å; R35-G39 PolarHBondContact NH1-O 3.46Å; R35-G39 WeakPolarHBondContact O-CA 3.11Å; R35-G39 PolarHBondContact O-N 3.24Å; R35-K161 PolarHBondContact NH2-O 2.88Å; R35-L165 HydrophobicContact CB-CD1 3.91Å; R35-L165 HydrophobicContact CG-CD1 3.56Å
36L94.5Very high92.9Very high43 Ų4356.3 Ų56.323%0.22533%0.331CS..Hα-helixtrans-71.7-34.3175.9-71.2174.3000112.8I32 L33 Y34 V55 L165 M169I32-L36 HydrophobicContact CG2-CD1 3.9Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.33Å; I32-L36 PolarHBondContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.12Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 3.13Å; L36-V55 HydrophobicContact CB-CG1 3.99Å; L36-V55 HydrophobicContact CB-CG2 4.33Å; L36-L165 HydrophobicContact CD2-CB 3.94Å; L36-L165 HydrophobicContact CD2-CD1 4.5Å; L36-M169 HydrophobicContact CD1-CG 4.1Å; L36-M169 HydrophobicContact CD1-SD 3.93Å; L36-M169 HydrophobicContact CD2-CG 3.62Å
37Q92.5Very high92.5Very high71 Ų7155.2 Ų55.233%0.33231%0.314SS..Hα-helixtrans-81.4-46.9-175.2-173.8179.80.900113.2L33 Y34 E53 V55L33-Q37 WeakPolarHBondContact O-CB 3.45Å; L33-Q37 PolarHBondContact O-N 3.46Å; Y34-Q37 PolarHBondContact O-N 3.31Å; Q37-E53 PolarHBondContact NE2-OE2 3.31Å; Q37-E53 VanDerWaalsContact OE1-CG 3.29Å; Q37-E53 PolarHBondContact OE1-OE2 2.99Å; Q37-V55 HydrophobicContact CB-CG2 4.28Å
38V90.2Very high91.8Very high83 Ų8362.2 Ų62.250%0.50335%0.35SS..Hα-helixtrans-116.9-7-172.6-59.20000113.7Y34 E40 V42Y34-V38 WeakPolarHBondContact O-CG2 3.39Å; Y34-V38 PolarHBondContact O-N 2.93Å; V38-E40 HydrophobicContact CG2-CB 4.33Å; V38-E40 PolarHBondContact O-N 3.17Å; V38-V42 HydrophobicContact CG2-CG2 4.33Å
39G88.7Confident91.4Very high44 Ų4462.8 Ų62.845%0.45436%0.356SS..SBendtrans79.4-4.4-179.800000114.8R35R35-G39 PolarHBondContact NH1-O 3.46Å; R35-G39 WeakPolarHBondContact O-CA 3.11Å; R35-G39 PolarHBondContact O-N 3.24Å
40E86.7Confident91.2Very high141 Ų14166.6 Ų66.666%0.65937%0.372SS*.SBendtrans-117.8159.8-174.1-64.2-171.617200112.5V38V38-E40 HydrophobicContact CG2-CB 4.33Å; V38-E40 PolarHBondContact O-N 3.17Å
41V86.5Confident91Very high65 Ų6567.6 Ų67.639%0.39438%0.377SS..  trans-87.8114.6174.2-179.10000108.4T31 L160T31-V41 HydrophobicContact CG2-CG1 4.14Å; V41-L160 HydrophobicContact CG1-CD1 4.17Å; V41-L160 HydrophobicContact CG2-CD1 4.22Å; V41-L160 WeakPolarHBondContact CG2-O 3.49Å
42V87.1Confident90.9Very high62 Ų6268.8 Ų68.838%0.37638%0.384SS..  trans-98.3137.4173.3-176.40000108.9Y34 V38 T44Y34-V42 HydrophobicContact CD2-CB 3.96Å; Y34-V42 HydrophobicContact CD2-CG1 4.37Å; Y34-V42 HydrophobicContact CD2-CG2 4.45Å; Y34-V42 HydrophobicContact CG-CB 4.31Å; Y34-V42 HydrophobicContact CG-CG2 4.31Å; V38-V42 HydrophobicContact CG2-CG2 4.33Å; V42-T44 PolarHBondContact O-N 3.31Å
43T84.7Confident90.8Very high140 Ų14070.9 Ų70.986%0.85939%0.394SS*.  trans-62.2129.2171.9-54.40000109.7
44T89.1Confident90.7Very high53 Ų5373.7 Ų73.733%0.32541%0.411SS..  trans-114.7147.5-177.858.40000110.9T30 Y34 V42T30-T44 HydrophobicContact CG2-CG2 3.63Å; Y34-T44 HydrophobicContact CD2-CG2 4.24Å; Y34-T44 HydrophobicContact CE2-CG2 4.39Å; V42-T44 PolarHBondContact O-N 3.31Å
45I87.5Confident90.7Very high142 Ų14271.1 Ų71.173%0.72840%0.401SS*.  trans-107158.816560.6172.2000108.3T47I45-T47 PolarHBondContact O-N 3.04Å; I45-T47 VanDerWaalsContact O-N 3.13Å
46P89.3Confident90.5Very high94 Ų9473 Ų7361%0.6142%0.42SS*.PPolyproline II helixtrans-52.2122.1175.3-27.635.7000111.9I48P46-I48 PolarHBondContact O-N 2.66Å
47T88.7Confident90.3Very high27 Ų2772.2 Ų72.217%0.16642%0.415CS..PPolyproline II helixtrans-63.4127179.7-46.30000110.4T30 I45 Q70T30-T47 PolarHBondContact OG1-OG1 2.63Å; T30-T47 VanDerWaalsContact OG1-OG1 3.12Å; I45-T47 PolarHBondContact O-N 3.04Å; I45-T47 VanDerWaalsContact O-N 3.13Å; T47-Q70 PolarHBondContact O-NE2 3.09Å
48I85.1Confident90Very high149 Ų14974.7 Ų74.776%0.76442%0.424SS*.SBendtrans-94.5117.8171.7-58.9175.6000107P46 F50P46-I48 PolarHBondContact O-N 2.66Å; I48-F50 PolarHBondContact O-N 3Å
49G89.9Confident89.5Confident28 Ų2876.1 Ų76.129%0.28943%0.429SS..SBendtrans72.4-107-176.400000111.8G68G49-G68 PolarHBondContact O-N 2.83Å
50F93.2Very high89.5Confident91 Ų9174.3 Ų74.340%0.39941%0.409SS..EExtended strand (participates in β ladder)trans-148.5158.5-176.869.4-85.9000113.2I48 V52 W65 D66 L67 Y80I48-F50 PolarHBondContact O-N 3Å; F50-V52 HydrophobicContact CD2-CG2 3.6Å; F50-V52 HydrophobicContact CE2-CG2 3.63Å; F50-W65 AromaticContact CD2-CE3 3.72Å; F50-W65 HydrophobicContact CD2-CE3 3.72Å; F50-W65 AromaticContact CD2-CZ3 3.74Å; F50-W65 HydrophobicContact CD2-CZ3 3.74Å; F50-W65 AromaticContact CE2-CE3 3.94Å; F50-W65 HydrophobicContact CE2-CE3 3.94Å; F50-W65 HydrophobicContact CE2-CH2 4.27Å; F50-W65 AromaticContact CE2-CZ3 3.46Å; F50-W65 HydrophobicContact CE2-CZ3 3.46Å; F50-W65 VanDerWaalsContact CE2-CZ3 3.46Å; F50-W65 HydrophobicContact CG-CE3 4.39Å; F50-W65 HydrophobicContact CZ-CZ3 4.01Å; F50-D66 CarbonylContact C-O 3.48Å; F50-D66 WeakPolarHBondContact CA-O 3.29Å; F50-L67 HydrophobicContact CB-CD2 3.53Å; F50-Y80 AromaticContact CD1-CE1 3.6Å; F50-Y80 HydrophobicContact CD1-CE1 3.6Å; F50-Y80 AromaticContact CD1-CZ 3.57Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.49Å; F50-Y80 AromaticContact CE1-CE1 3.72Å; F50-Y80 HydrophobicContact CE1-CE1 3.72Å; F50-Y80 AromaticContact CE1-CZ 3.95Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.46Å; F50-Y80 HydrophobicContact CG-CE1 4.09Å; F50-Y80 HydrophobicContact CZ-CE1 4.32Å
51N93.2Very high89.8Confident41 Ų4170.7 Ų70.722%0.21939%0.391CS..EExtended strand (participates in β ladder)trans-120.6147.7166.3-171.940.7000110E53 W65 D66N51-E53 VanDerWaalsContact ND2-CG 3.28Å; N51-E53 WeakPolarHBondContact ND2-CG 3.44Å; N51-E53 PolarHBondContact ND2-OE1 3.39Å; N51-W65 CarbonylContact O-C 3.58Å; N51-W65 WeakPolarHBondContact O-CA 3.39Å; N51-D66 HydrophobicContact CB-CB 4.36Å; N51-D66 PolarHBondContact N-O 2.97Å; N51-D66 PolarHBondContact O-N 2.9Å
52V95.4Very high90.2Very high48 Ų4867.6 Ų67.629%0.29137%0.372SS..EExtended strand (participates in β ladder)trans-126.8121.8175.8-172.60000109.7F50 Q63 V64 W65F50-V52 HydrophobicContact CD2-CG2 3.6Å; F50-V52 HydrophobicContact CE2-CG2 3.63Å; V52-Q63 HydrophobicContact CG1-CG 3.79Å; V52-V64 WeakPolarHBondContact CA-O 3.47Å; V52-W65 HydrophobicContact CG1-CD2 4.44Å; V52-W65 HydrophobicContact CG1-CZ2 4.43Å; V52-W65 HydrophobicContact CG2-CD2 3.57Å; V52-W65 HydrophobicContact CG2-CE3 3.56Å; V52-W65 HydrophobicContact CG2-CG 4.16Å; V52-W65 HydrophobicContact CG2-CH2 3.98Å; V52-W65 HydrophobicContact CG2-CZ2 3.98Å; V52-W65 HydrophobicContact CG2-CZ3 3.78Å
53E95.7Very high90.7Very high45 Ų4567 Ų6721%0.2137%0.366CS..EExtended strand (participates in β ladder)trans-128.6155178.3-64.1-66168.100111.1L33 Y34 Q37 N51 V64L33-E53 HydrophobicContact CD1-CB 4.05Å; L33-E53 HydrophobicContact CD2-CB 4.02Å; L33-E53 HydrophobicContact CD2-CG 3.71Å; L33-E53 HydrophobicContact CG-CB 4.22Å; L33-E53 HydrophobicContact CG-CG 4.18Å; Y34-E53 HydrophobicContact CE1-CG 4.44Å; Q37-E53 PolarHBondContact NE2-OE2 3.31Å; Q37-E53 VanDerWaalsContact OE1-CG 3.29Å; Q37-E53 PolarHBondContact OE1-OE2 2.99Å; N51-E53 VanDerWaalsContact ND2-CG 3.28Å; N51-E53 WeakPolarHBondContact ND2-CG 3.44Å; N51-E53 PolarHBondContact ND2-OE1 3.39Å; E53-V64 PolarHBondContact N-O 2.83Å; E53-V64 PolarHBondContact O-N 2.86Å
54T95.5Very high91.4Very high59 Ų5960.7 Ų60.736%0.36233%0.327SS..EExtended strand (participates in β ladder)trans-95.3122.7168.9-67.90000109.6V56 K61 F62T54-V56 HydrophobicContact CG2-CG2 4.27Å; T54-K61 HydrophobicContact CG2-CD 4Å; T54-K61 HydrophobicContact CG2-CG 3.56Å; T54-F62 CarbonylContact C-O 3.56Å; T54-F62 WeakPolarHBondContact CA-O 3.3Å
55V94.9Very high91.8Very high3 Ų360 Ų602%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-111.2126.1170.3177.10000108.5L33 L36 Q37 F62 V64L33-V55 HydrophobicContact CD1-CG2 3.81Å; L36-V55 HydrophobicContact CB-CG1 3.99Å; L36-V55 HydrophobicContact CB-CG2 4.33Å; Q37-V55 HydrophobicContact CB-CG2 4.28Å; V55-F62 HydrophobicContact CB-CB 4.38Å; V55-F62 PolarHBondContact N-O 3.48Å; V55-F62 PolarHBondContact O-N 2.92Å; V55-V64 HydrophobicContact CB-CG2 4.17Å; V55-V64 HydrophobicContact CG2-CG2 3.9Å
56V92.1Very high92.3Very high104 Ų10453.2 Ų53.263%0.6328%0.284SS*.EExtended strand (participates in β ladder)trans-101.4123174.2-179.70000108.2T54 K61T54-V56 HydrophobicContact CG2-CG2 4.27Å; V56-K61 HydrophobicContact CG2-CG 4.47Å
57H90.7Very high92.7Very high26 Ų2648.8 Ų48.812%0.1226%0.255CS..EExtended strand (participates in β ladder)trans-131.3118.5175-168.373.3000109.3N59 L60 F62 D170 S173H57-N59 PolarHBondContact O-N 3.12Å; H57-N59 VanDerWaalsContact O-N 3.14Å; H57-L60 PolarHBondContact N-O 3.23Å; H57-L60 PolarHBondContact O-N 2.98Å; H57-F62 HydrophobicContact CB-CD2 4.25Å; H57-F62 HydrophobicContact CB-CE2 3.85Å; H57-D170 IonicContact CD2-OD1 3.95Å; H57-D170 IonicContact CE1-OD1 2.79Å; H57-D170 IonicContact NE2-OD1 2.79Å; H57-D170 PolarHBondContact NE2-OD1 2.72Å; H57-S173 PolarHBondContact CD2-OG 3.24Å
58K85.2Confident93Very high123 Ų12347.6 Ų47.654%0.53525%0.247SC..THydrogen-bonded Turntrans52.3-117.1-172.2-63.2176.4169.71680111D170K58-D170 WeakPolarHBondContact CE-OD1 3.35Å; K58-D170 IonicContact NZ-OD1 2.64Å; K58-D170 PolarHBondContact NZ-OD1 2.91Å; K58-D170 IonicContact NZ-OD2 2.74Å; K58-D170 PolarHBondContact NZ-OD2 3.1Å
59N80.7Confident93.6Very high113 Ų11340.6 Ų40.660%0.60421%0.212SC*.THydrogen-bonded Turntrans-101.76.7-179.366.8-35.7000113.7S14 H57S14-N59 WeakPolarHBondContact CB-O 3.29Å; H57-N59 PolarHBondContact O-N 3.12Å; H57-N59 VanDerWaalsContact O-N 3.14Å
60L87.7Confident93.9Very high6 Ų642.4 Ų42.43%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-106.3141.1178.4-65.5-179.4000110.9H57 F62H57-L60 PolarHBondContact N-O 3.23Å; H57-L60 PolarHBondContact O-N 2.98Å; L60-F62 HydrophobicContact CB-CE1 4.16Å; L60-F62 HydrophobicContact CB-CE2 4.08Å; L60-F62 HydrophobicContact CB-CZ 3.77Å; L60-F62 HydrophobicContact CD1-CE1 4.09Å; L60-F62 HydrophobicContact CD1-CZ 3.71Å; L60-F62 HydrophobicContact CG-CZ 4.42Å
61K93.3Very high94Very high65 Ų6542.9 Ų42.928%0.28322%0.224SC..EExtended strand (participates in β ladder)trans-107.7119.3171.7-173.5-173.9175.5-149.60107.6E16 R17 T54 V56E16-K61 CarbonylContact C-O 3.56Å; E16-K61 VanDerWaalsContact CA-O 3.28Å; E16-K61 WeakPolarHBondContact CA-O 3.2Å; E16-K61 HydrophobicContact CG-CD 4.45Å; E16-K61 WeakPolarHBondContact OE2-CE 3.44Å; E16-K61 IonicContact OE2-NZ 2.82Å; E16-K61 PolarHBondContact OE2-NZ 3.26Å; R17-K61 PolarHBondContact N-O 3.16Å; T54-K61 HydrophobicContact CG2-CD 4Å; T54-K61 HydrophobicContact CG2-CG 3.56Å; V56-K61 HydrophobicContact CG2-CG 4.47Å
62F95.7Very high94.1Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-101.9125178.5-62.1-61.9000110.2R17 I19 T54 V55 H57 L60 V64 M169 L176R17-F62 HydrophobicContact CB-CD1 3.68Å; R17-F62 HydrophobicContact CB-CE1 3.84Å; R17-F62 HydrophobicContact CG-CE1 4.3Å; R17-F62 CarbonylContact O-C 3.57Å; R17-F62 WeakPolarHBondContact O-CA 3.22Å; I19-F62 HydrophobicContact CD1-CB 3.81Å; I19-F62 HydrophobicContact CD1-CD1 3.25Å; I19-F62 HydrophobicContact CD1-CD2 4.22Å; I19-F62 HydrophobicContact CD1-CE1 3.8Å; I19-F62 HydrophobicContact CD1-CG 3.5Å; I19-F62 VanDerWaalsContact CD1-CG 3.5Å; I19-F62 HydrophobicContact CD1-CZ 4.45Å; I19-F62 HydrophobicContact CG1-CB 4.31Å; I19-F62 HydrophobicContact CG1-CD1 3.81Å; I19-F62 HydrophobicContact CG1-CG 4.31Å; T54-F62 CarbonylContact C-O 3.56Å; T54-F62 WeakPolarHBondContact CA-O 3.3Å; V55-F62 HydrophobicContact CB-CB 4.38Å; V55-F62 PolarHBondContact N-O 3.48Å; V55-F62 PolarHBondContact O-N 2.92Å; H57-F62 HydrophobicContact CB-CD2 4.25Å; H57-F62 HydrophobicContact CB-CE2 3.85Å; L60-F62 HydrophobicContact CB-CE1 4.16Å; L60-F62 HydrophobicContact CB-CE2 4.08Å; L60-F62 HydrophobicContact CB-CZ 3.77Å; L60-F62 HydrophobicContact CD1-CE1 4.09Å; L60-F62 HydrophobicContact CD1-CZ 3.71Å; L60-F62 HydrophobicContact CG-CZ 4.42Å; F62-V64 HydrophobicContact CB-CG2 3.87Å; F62-M169 HydrophobicContact CD2-CE 3.43Å; F62-M169 VanDerWaalsContact CD2-CE 3.43Å; F62-M169 HydrophobicContact CE2-CE 3.34Å; F62-M169 HydrophobicContact CG-CE 4.29Å; F62-M169 HydrophobicContact CZ-CE 4.18Å; F62-L176 HydrophobicContact CE1-CD1 3.74Å; F62-L176 HydrophobicContact CZ-CD1 4.41Å
63Q97.3Very high94.1Very high51 Ų5144 Ų4424%0.23824%0.235CC..EExtended strand (participates in β ladder)trans-90.799166.2-169.5-168.9102.400107.2E16 R17 I19 V52E16-Q63 HydrophobicContact CG-CB 4.35Å; E16-Q63 PolarHBondContact OE1-NE2 2.87Å; R17-Q63 PolarHBondContact O-N 3.13Å; I19-Q63 PolarHBondContact N-O 3.23Å; V52-Q63 HydrophobicContact CG1-CG 3.79Å
64V98.3Very high94.1Very high6 Ų642.7 Ų42.74%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-96.5121.7-172.6-171.40000109.7I19 I21 L33 V52 E53 V55 F62I19-V64 HydrophobicContact CB-CG2 4.29Å; I19-V64 HydrophobicContact CG2-CG1 4.34Å; I19-V64 CarbonylContact O-C 3.59Å; I19-V64 WeakPolarHBondContact O-CA 3.4Å; I21-V64 HydrophobicContact CB-CG1 4.21Å; I21-V64 HydrophobicContact CG2-CG1 3.81Å; L33-V64 HydrophobicContact CD1-CB 3.76Å; L33-V64 HydrophobicContact CD1-CG1 3.75Å; L33-V64 HydrophobicContact CD1-CG2 4.23Å; V52-V64 WeakPolarHBondContact CA-O 3.47Å; E53-V64 PolarHBondContact N-O 2.83Å; E53-V64 PolarHBondContact O-N 2.86Å; V55-V64 HydrophobicContact CB-CG2 4.17Å; V55-V64 HydrophobicContact CG2-CG2 3.9Å; F62-V64 HydrophobicContact CB-CG2 3.87Å
65W98.2Very high94.1Very high39 Ų3943.6 Ų43.615%0.14824%0.235CC..EExtended strand (participates in β ladder)trans-101105.8175.7-66.366000109.3R18 I19 L20 I21 F50 N51 V52 L67 Y80R18-W65 VanDerWaalsContact CZ-CE2 3.44Å; I19-W65 PolarHBondContact O-N 2.83Å; L20-W65 HydrophobicContact CD2-CB 3.6Å; L20-W65 HydrophobicContact CD2-CG 4.07Å; I21-W65 PolarHBondContact N-O 3.01Å; F50-W65 AromaticContact CD2-CE3 3.72Å; F50-W65 HydrophobicContact CD2-CE3 3.72Å; F50-W65 AromaticContact CD2-CZ3 3.74Å; F50-W65 HydrophobicContact CD2-CZ3 3.74Å; F50-W65 AromaticContact CE2-CE3 3.94Å; F50-W65 HydrophobicContact CE2-CE3 3.94Å; F50-W65 HydrophobicContact CE2-CH2 4.27Å; F50-W65 AromaticContact CE2-CZ3 3.46Å; F50-W65 HydrophobicContact CE2-CZ3 3.46Å; F50-W65 VanDerWaalsContact CE2-CZ3 3.46Å; F50-W65 HydrophobicContact CG-CE3 4.39Å; F50-W65 HydrophobicContact CZ-CZ3 4.01Å; N51-W65 CarbonylContact O-C 3.58Å; N51-W65 WeakPolarHBondContact O-CA 3.39Å; V52-W65 HydrophobicContact CG1-CD2 4.44Å; V52-W65 HydrophobicContact CG1-CZ2 4.43Å; V52-W65 HydrophobicContact CG2-CD2 3.57Å; V52-W65 HydrophobicContact CG2-CE3 3.56Å; V52-W65 HydrophobicContact CG2-CG 4.16Å; V52-W65 HydrophobicContact CG2-CH2 3.98Å; V52-W65 HydrophobicContact CG2-CZ2 3.98Å; V52-W65 HydrophobicContact CG2-CZ3 3.78Å; W65-L67 HydrophobicContact CB-CD2 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.76Å; W65-Y80 HydrophobicContact CE3-CD1 3.76Å; W65-Y80 HydrophobicContact CE3-CE1 4.32Å; W65-Y80 AromaticContact CZ3-CD1 3.75Å; W65-Y80 HydrophobicContact CZ3-CD1 3.75Å; W65-Y80 HydrophobicContact CZ3-CE1 4.05Å
66D97.8Very high94.2Very high0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-88.9110.1175176.636.2000110.9I21 K29 T30 L33 F50 N51I21-D66 HydrophobicContact CG2-CB 3.47Å; I21-D66 VanDerWaalsContact CG2-CB 3.47Å; K29-D66 VanDerWaalsContact CB-OD1 3.23Å; K29-D66 WeakPolarHBondContact CB-OD1 3.43Å; T30-D66 WeakPolarHBondContact CA-OD2 3.41Å; T30-D66 VanDerWaalsContact CB-OD2 3.31Å; T30-D66 WeakPolarHBondContact CB-OD2 3.3Å; T30-D66 PolarHBondContact OG1-OD2 2.85Å; L33-D66 HydrophobicContact CD2-CB 3.82Å; F50-D66 CarbonylContact C-O 3.48Å; F50-D66 WeakPolarHBondContact CA-O 3.29Å; N51-D66 HydrophobicContact CB-CB 4.36Å; N51-D66 PolarHBondContact N-O 2.97Å; N51-D66 PolarHBondContact O-N 2.9Å
67L97.7Very high94.5Very high1 Ų145.7 Ų45.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-98.3141.4-176.7-45.2-168.1000111.1I21 L22 K29 F50 W65 G69 W77 Y80I21-L67 PolarHBondContact O-N 2.83Å; L22-L67 HydrophobicContact CD2-CB 3.89Å; L22-L67 HydrophobicContact CD2-CD1 3.51Å; L22-L67 HydrophobicContact CD2-CG 3.81Å; K29-L67 WeakPolarHBondContact CE-O 3.46Å; F50-L67 HydrophobicContact CB-CD2 3.53Å; W65-L67 HydrophobicContact CB-CD2 4.15Å; L67-G69 PolarHBondContact O-N 2.98Å; L67-W77 HydrophobicContact CD1-CB 4.15Å; L67-W77 HydrophobicContact CD1-CG 4.13Å; L67-Y80 HydrophobicContact CD1-CD2 3.74Å; L67-Y80 HydrophobicContact CD1-CG 4.11Å; L67-Y80 HydrophobicContact CD2-CD2 4.11Å; L67-Y80 HydrophobicContact CD2-CG 4.09Å
68G96.2Very high94.8Very high1 Ų152.1 Ų52.11%0.0126%0.255CS..  trans-57.4134.517400000111.9G49 W77G49-G68 PolarHBondContact O-N 2.83Å; G68-W77 PolarHBondContact O-NE1 2.72Å
69G96.8Very high95.3Very high3 Ų350.5 Ų50.53%0.03126%0.258CS..  trans-99.13.1-17700000115.5G23 D25 L67 R74G23-G69 WeakPolarHBondContact O-CA 3.42Å; D25-G69 PolarHBondContact N-O 3.01Å; D25-G69 VanDerWaalsContact N-O 3.14Å; D25-G69 VanDerWaalsContact OD1-O 3.1Å; L67-G69 PolarHBondContact O-N 2.98Å; G69-R74 PolarHBondContact O-NE 2.78Å
70Q96.2Very high96.1Very high66 Ų6647.9 Ų47.931%0.30824%0.24SC..SBendtrans-64.7144.3-178.2-60.1179.866.100110.2D25 T47 S72 I73 R74D25-Q70 HydrophobicContact CB-CG 4.08Å; T47-Q70 PolarHBondContact O-NE2 3.09Å; Q70-S72 PolarHBondContact O-N 2.93Å; Q70-S72 VanDerWaalsContact O-N 3.08Å; Q70-I73 HydrophobicContact CB-CD1 4.22Å; Q70-I73 HydrophobicContact CB-CG1 4.38Å; Q70-I73 HydrophobicContact CG-CD1 4.49Å; Q70-I73 PolarHBondContact O-N 3.24Å; Q70-R74 WeakPolarHBondContact O-CG 3.17Å; Q70-R74 PolarHBondContact O-N 2.83Å
71T96.1Very high96.6Very high100 Ų10048 Ų4861%0.61324%0.241SC*.THydrogen-bonded Turntrans-47.7-42.7-176.1-51.80000113.8I73 R74T71-I73 VanDerWaalsContact C-N 3.28Å; T71-I73 PolarHBondContact O-N 2.89Å; T71-R74 PolarHBondContact OG1-NH2 3.01Å
72S95.3Very high96.8Very high85 Ų8547.4 Ų47.459%0.59425%0.247SC*.THydrogen-bonded Turntrans-71.8-17-179.653.30000114.7Q70 Y76Q70-S72 PolarHBondContact O-N 2.93Å; Q70-S72 VanDerWaalsContact O-N 3.08Å; S72-Y76 WeakPolarHBondContact O-CE2 3.32Å
73I94.5Very high96.7Very high29 Ų2954.2 Ų54.215%0.14928%0.284CS..THydrogen-bonded Turntrans-100.3-29.2-174.2-60.5176.3000112.1Q70 T71 P75 Y76Q70-I73 HydrophobicContact CB-CD1 4.22Å; Q70-I73 HydrophobicContact CB-CG1 4.38Å; Q70-I73 HydrophobicContact CG-CD1 4.49Å; Q70-I73 PolarHBondContact O-N 3.24Å; T71-I73 VanDerWaalsContact C-N 3.28Å; T71-I73 PolarHBondContact O-N 2.89Å; I73-P75 VanDerWaalsContact C-N 3.33Å; I73-Y76 WeakPolarHBondContact O-CB 3.36Å; I73-Y76 WeakPolarHBondContact O-CD2 3.34Å; I73-Y76 PolarHBondContact O-N 2.8Å
74R96.8Very high96.7Very high17 Ų1752.4 Ų52.46%0.06428%0.276CS..G310 helixtrans-53.8-36.8-176.7-54.7-177.2-141.4140.55.5115G69 Q70 T71 Y76 W77 I101 E105G69-R74 PolarHBondContact O-NE 2.78Å; Q70-R74 WeakPolarHBondContact O-CG 3.17Å; Q70-R74 PolarHBondContact O-N 2.83Å; T71-R74 PolarHBondContact OG1-NH2 3.01Å; R74-Y76 PolarHBondContact O-N 3.02Å; R74-W77 HydrophobicContact CB-CD2 4.16Å; R74-W77 HydrophobicContact CB-CE3 4.47Å; R74-W77 HydrophobicContact CB-CZ2 4.23Å; R74-W77 HydrophobicContact CG-CH2 4.1Å; R74-W77 HydrophobicContact CG-CZ2 3.69Å; R74-W77 WeakPolarHBondContact O-CB 3.35Å; R74-W77 VanDerWaalsContact O-CG 3.22Å; R74-W77 PolarHBondContact O-N 3.44Å; R74-I101 VanDerWaalsContact NH1-CG2 3.3Å; R74-E105 VanDerWaalsContact CD-CD 3.41Å; R74-E105 VanDerWaalsContact CD-OE1 3.28Å; R74-E105 WeakPolarHBondContact CD-OE1 3Å; R74-E105 IonicContact CZ-OE1 3.75Å; R74-E105 IonicContact NE-OE1 3.79Å; R74-E105 IonicContact NH1-OE1 3.31Å; R74-E105 PolarHBondContact NH1-OE1 3.01Å
75P95.7Very high96.7Very high78 Ų7854.1 Ų54.151%0.50629%0.285SS..G310 helixtrans-59.1-18.3175.4-26.436.5000114.8I73 R78I73-P75 VanDerWaalsContact C-N 3.33Å; P75-R78 WeakPolarHBondContact O-CG 3.44Å; P75-R78 PolarHBondContact O-NE 3.48Å
76Y95.9Very high96.7Very high148 Ų14852.2 Ų52.258%0.5828%0.278SS*.G310 helixtrans-92.2-3.8178.1-56.9-78.5000113.5S72 I73 R74 R78 C79 Y80S72-Y76 WeakPolarHBondContact O-CE2 3.32Å; I73-Y76 WeakPolarHBondContact O-CB 3.36Å; I73-Y76 WeakPolarHBondContact O-CD2 3.34Å; I73-Y76 PolarHBondContact O-N 2.8Å; R74-Y76 PolarHBondContact O-N 3.02Å; Y76-R78 PolarHBondContact O-N 3.02Å; Y76-C79 WeakPolarHBondContact O-CB 3.32Å; Y76-C79 PolarHBondContact O-N 3.03Å; Y76-C79 VanDerWaalsContact O-N 3.08Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.19Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.3Å
77W97.9Very high96.7Very high3 Ų352.2 Ų52.21%0.01128%0.278CS..G310 helixtrans-55-39176-70.6-7.8000112.1L22 G23 L67 G68 R74 C79 Y80 Y81 Y89 E105L22-W77 HydrophobicContact CD2-CB 4.26Å; L22-W77 HydrophobicContact CD2-CD2 3.56Å; L22-W77 HydrophobicContact CD2-CE3 3.97Å; L22-W77 HydrophobicContact CD2-CG 3.72Å; L22-W77 HydrophobicContact CD2-CZ2 4.27Å; L22-W77 HydrophobicContact CD2-CZ3 4.47Å; G23-W77 WeakPolarHBondContact O-CZ2 3.29Å; L67-W77 HydrophobicContact CD1-CB 4.15Å; L67-W77 HydrophobicContact CD1-CG 4.13Å; G68-W77 PolarHBondContact O-NE1 2.72Å; R74-W77 HydrophobicContact CB-CD2 4.16Å; R74-W77 HydrophobicContact CB-CE3 4.47Å; R74-W77 HydrophobicContact CB-CZ2 4.23Å; R74-W77 HydrophobicContact CG-CH2 4.1Å; R74-W77 HydrophobicContact CG-CZ2 3.69Å; R74-W77 WeakPolarHBondContact O-CB 3.35Å; R74-W77 VanDerWaalsContact O-CG 3.22Å; R74-W77 PolarHBondContact O-N 3.44Å; W77-C79 PolarHBondContact O-N 3.38Å; W77-C79 VanDerWaalsContact O-N 3.12Å; W77-Y80 PolarHBondContact O-N 2.91Å; W77-Y81 VanDerWaalsContact C-CE1 3.47Å; W77-Y81 HydrophobicContact CB-CE1 3.83Å; W77-Y81 WeakPolarHBondContact CB-OH 3.42Å; W77-Y81 VanDerWaalsContact O-CD1 3.28Å; W77-Y81 WeakPolarHBondContact O-CD1 3.21Å; W77-Y81 VanDerWaalsContact O-CE1 3.27Å; W77-Y81 WeakPolarHBondContact O-CE1 3.4Å; W77-Y89 HydrophobicContact CZ3-CE2 4.44Å; W77-E105 HydrophobicContact CH2-CB 4.32Å; W77-E105 HydrophobicContact CZ3-CB 3.96Å
78R97.4Very high96.8Very high161 Ų16152.4 Ų52.461%0.60828%0.279SS*.G310 helixtrans-55.9-27.2177.766.9-173.7175.4163.23.8115.1P75 Y76 Y80 Y81P75-R78 WeakPolarHBondContact O-CG 3.44Å; P75-R78 PolarHBondContact O-NE 3.48Å; Y76-R78 PolarHBondContact O-N 3.02Å; R78-Y80 PolarHBondContact O-N 3.14Å; R78-Y80 VanDerWaalsContact O-N 3.08Å; R78-Y81 VanDerWaalsContact CA-CD2 3.46Å; R78-Y81 HydrophobicContact CB-CD2 3.94Å; R78-Y81 HydrophobicContact CB-CE2 3.69Å; R78-Y81 PolarHBondContact O-N 2.7Å
79C96.5Very high96.9Very high89 Ų8952.3 Ų52.360%0.60128%0.278SS*.G310 helixtrans-64.5-13.8176.4-59.50000113.1Y76 W77Y76-C79 WeakPolarHBondContact O-CB 3.32Å; Y76-C79 PolarHBondContact O-N 3.03Å; Y76-C79 VanDerWaalsContact O-N 3.08Å; W77-C79 PolarHBondContact O-N 3.38Å; W77-C79 VanDerWaalsContact O-N 3.12Å
80Y97.2Very high97Very high57 Ų5752.2 Ų52.222%0.22428%0.277CS..G310 helixtrans-115.2-0.5-174.1-54.1-83000114.2R18 F50 W65 L67 Y76 W77 R78 A82R18-Y80 PolarHBondContact NH2-O 3.43Å; R18-Y80 VanDerWaalsContact NH2-O 3.13Å; F50-Y80 AromaticContact CD1-CE1 3.6Å; F50-Y80 HydrophobicContact CD1-CE1 3.6Å; F50-Y80 AromaticContact CD1-CZ 3.57Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.49Å; F50-Y80 AromaticContact CE1-CE1 3.72Å; F50-Y80 HydrophobicContact CE1-CE1 3.72Å; F50-Y80 AromaticContact CE1-CZ 3.95Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.46Å; F50-Y80 HydrophobicContact CG-CE1 4.09Å; F50-Y80 HydrophobicContact CZ-CE1 4.32Å; W65-Y80 AromaticContact CE3-CD1 3.76Å; W65-Y80 HydrophobicContact CE3-CD1 3.76Å; W65-Y80 HydrophobicContact CE3-CE1 4.32Å; W65-Y80 AromaticContact CZ3-CD1 3.75Å; W65-Y80 HydrophobicContact CZ3-CD1 3.75Å; W65-Y80 HydrophobicContact CZ3-CE1 4.05Å; L67-Y80 HydrophobicContact CD1-CD2 3.74Å; L67-Y80 HydrophobicContact CD1-CG 4.11Å; L67-Y80 HydrophobicContact CD2-CD2 4.11Å; L67-Y80 HydrophobicContact CD2-CG 4.09Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.19Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.3Å; W77-Y80 PolarHBondContact O-N 2.91Å; R78-Y80 PolarHBondContact O-N 3.14Å; R78-Y80 VanDerWaalsContact O-N 3.08Å; Y80-A82 PolarHBondContact O-N 2.8Å
81Y98.2Very high97.1Very high10 Ų1049.1 Ų49.14%0.03926%0.263CS..  trans-67.9-32-174.4-68.8-9.8000114.7L20 L22 W77 R78 N83 T84 M109 E112 L115L20-Y81 HydrophobicContact CD1-CD1 3.56Å; L20-Y81 HydrophobicContact CD1-CE1 4.16Å; L22-Y81 HydrophobicContact CD1-CE1 4.13Å; W77-Y81 VanDerWaalsContact C-CE1 3.47Å; W77-Y81 HydrophobicContact CB-CE1 3.83Å; W77-Y81 WeakPolarHBondContact CB-OH 3.42Å; W77-Y81 VanDerWaalsContact O-CD1 3.28Å; W77-Y81 WeakPolarHBondContact O-CD1 3.21Å; W77-Y81 VanDerWaalsContact O-CE1 3.27Å; W77-Y81 WeakPolarHBondContact O-CE1 3.4Å; R78-Y81 VanDerWaalsContact CA-CD2 3.46Å; R78-Y81 HydrophobicContact CB-CD2 3.94Å; R78-Y81 HydrophobicContact CB-CE2 3.69Å; R78-Y81 PolarHBondContact O-N 2.7Å; Y81-N83 PolarHBondContact O-N 3.37Å; Y81-T84 VanDerWaalsContact O-CB 3.29Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 2.86Å; Y81-T84 PolarHBondContact O-OG1 2.96Å; Y81-M109 HydrophobicContact CE1-CG 4.18Å; Y81-M109 HydrophobicContact CE2-CG 4.45Å; Y81-E112 HydrophobicContact CD2-CB 3.89Å; Y81-E112 HydrophobicContact CD2-CG 4Å; Y81-E112 HydrophobicContact CE2-CB 4.06Å; Y81-E112 HydrophobicContact CE2-CG 3.68Å; Y81-L115 HydrophobicContact CD1-CD1 3.72Å; Y81-L115 HydrophobicContact CD1-CD2 4.2Å; Y81-L115 HydrophobicContact CD1-CG 4.2Å; Y81-L115 HydrophobicContact CD2-CD1 3.76Å; Y81-L115 HydrophobicContact CD2-CG 4.04Å; Y81-L115 HydrophobicContact CE1-CD1 3.86Å; Y81-L115 HydrophobicContact CE2-CD1 3.97Å; Y81-L115 HydrophobicContact CG-CD1 3.66Å; Y81-L115 HydrophobicContact CG-CD2 4.05Å; Y81-L115 HydrophobicContact CG-CG 3.78Å
82A96.3Very high97.3Very high51 Ų5145.2 Ų45.242%0.42124%0.238SC..THydrogen-bonded Turntrans-52.3138.1-17900000112.4R18 Y80 T84R18-A82 PolarHBondContact NE-O 2.78Å; Y80-A82 PolarHBondContact O-N 2.8Å; A82-T84 VanDerWaalsContact C-N 3.26Å; A82-T84 PolarHBondContact O-N 3.09Å
83N94.9Very high97.4Very high144 Ų14441.2 Ų41.277%0.7721%0.21SC*.THydrogen-bonded Turntrans61.823177.1-51.3-57.1000115.6R18 Y81R18-N83 WeakPolarHBondContact CB-O 3.45Å; R18-N83 VanDerWaalsContact CD-O 3.3Å; R18-N83 WeakPolarHBondContact CD-O 3.32Å; Y81-N83 PolarHBondContact O-N 3.37Å
84T97.7Very high97.6Very high12 Ų1243.3 Ų43.37%0.07422%0.22CC..  trans-79.3120.7-179.7-61.40000111.4L20 Y81 A82 A86 I87 L115 A118L20-T84 HydrophobicContact CB-CG2 4.3Å; L20-T84 HydrophobicContact CD1-CG2 4.05Å; L20-T84 WeakPolarHBondContact CD1-OG1 3.47Å; L20-T84 HydrophobicContact CG-CG2 3.73Å; L20-T84 WeakPolarHBondContact CG-OG1 3.41Å; Y81-T84 VanDerWaalsContact O-CB 3.29Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 2.86Å; Y81-T84 PolarHBondContact O-OG1 2.96Å; A82-T84 VanDerWaalsContact C-N 3.26Å; A82-T84 PolarHBondContact O-N 3.09Å; T84-A86 WeakPolarHBondContact CG2-O 3.26Å; T84-I87 HydrophobicContact CG2-CG1 4.14Å; T84-L115 HydrophobicContact CG2-CD2 3.98Å; T84-A118 HydrophobicContact CG2-CB 4.33Å
85D96.8Very high97.7Very high42 Ų4243.8 Ų43.823%0.22522%0.224CC..SBendtrans-79.2-36.8174.7-67.9-84.4000111.7R17 R18 A118 V119 L176R17-D85 VanDerWaalsContact CA-OD2 3.29Å; R17-D85 WeakPolarHBondContact CA-OD2 3.21Å; R17-D85 HydrophobicContact CB-CB 4.4Å; R17-D85 WeakPolarHBondContact CD-OD1 3.03Å; R17-D85 WeakPolarHBondContact CD-OD2 3.35Å; R17-D85 IonicContact CZ-OD1 2.64Å; R17-D85 IonicContact NH1-OD1 3.78Å; R17-D85 PolarHBondContact NH1-OD1 3.48Å; R18-D85 PolarHBondContact N-OD2 3.47Å; R18-D85 WeakPolarHBondContact O-CB 3.31Å; R18-D85 PolarHBondContact O-N 3.2Å; D85-A118 VanDerWaalsContact O-CA 3.3Å; D85-A118 WeakPolarHBondContact O-CA 3.36Å; D85-V119 PolarHBondContact O-N 3.13Å; D85-L176 HydrophobicContact CB-CD2 4.06Å
86A98.3Very high97.8Very high0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-150.7155.9-179.300000113.7R18 I19 L20 T84 V119 L172 L176R18-A86 PolarHBondContact O-N 2.99Å; I19-A86 VanDerWaalsContact CA-O 3.29Å; I19-A86 WeakPolarHBondContact CA-O 3.28Å; I19-A86 HydrophobicContact CG1-CB 4.34Å; L20-A86 PolarHBondContact N-O 3.3Å; T84-A86 WeakPolarHBondContact CG2-O 3.26Å; A86-V119 CarbonylContact C-O 3.58Å; A86-V119 WeakPolarHBondContact CA-O 3.4Å; A86-V119 HydrophobicContact CB-CB 4.09Å; A86-V119 WeakPolarHBondContact CB-O 3.15Å; A86-L172 HydrophobicContact CB-CD1 3.57Å; A86-L172 HydrophobicContact CB-CD2 4.36Å; A86-L176 HydrophobicContact CB-CD1 4.31Å; A86-L176 HydrophobicContact CB-CD2 4.36Å
87I98.7Very high97.9Very high0 Ų045.6 Ų45.60%023%0.234CC..EExtended strand (participates in β ladder)trans-117.6129.8176.8-57.4161000107.9L20 L22 T84 M109 L110 L115 A118 V119 L120 V121L20-I87 CarbonylContact O-C 3.54Å; L20-I87 WeakPolarHBondContact O-CA 3.31Å; L22-I87 HydrophobicContact CD1-CG2 4.2Å; T84-I87 HydrophobicContact CG2-CG1 4.14Å; I87-M109 HydrophobicContact CD1-CE 4.06Å; I87-M109 HydrophobicContact CD1-SD 4.2Å; I87-M109 HydrophobicContact CG2-CE 3.87Å; I87-M109 HydrophobicContact CG2-SD 3.99Å; I87-L110 HydrophobicContact CD1-CD2 4.31Å; I87-L115 HydrophobicContact CD1-CB 4.23Å; I87-L115 HydrophobicContact CD1-CD1 3.83Å; I87-L115 HydrophobicContact CD1-CD2 4.07Å; I87-L115 HydrophobicContact CD1-CG 4.27Å; I87-L115 HydrophobicContact CG1-CD2 4.34Å; I87-A118 HydrophobicContact CD1-CB 4.11Å; I87-A118 HydrophobicContact CG1-CB 4.14Å; I87-V119 PolarHBondContact N-O 3.46Å; I87-L120 HydrophobicContact CB-CD1 3.98Å; I87-L120 HydrophobicContact CG2-CD1 3.93Å; I87-V121 PolarHBondContact O-N 3.43Å
88I98.9Very high98Very high4 Ų448.7 Ų48.72%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-103.3106.4163.6-61.7177.2000106.9I19 L20 I21 L22 V90 V121 L123 M169 L172I19-I88 HydrophobicContact CG2-CB 4.47Å; I19-I88 HydrophobicContact CG2-CD1 3.86Å; I19-I88 HydrophobicContact CG2-CG1 3.81Å; L20-I88 PolarHBondContact O-N 3.4Å; I21-I88 CarbonylContact C-O 3.52Å; I21-I88 VanDerWaalsContact CA-O 3.29Å; I21-I88 WeakPolarHBondContact CA-O 3.22Å; I21-I88 HydrophobicContact CB-CB 4.28Å; I21-I88 HydrophobicContact CD1-CG2 4.16Å; I21-I88 HydrophobicContact CG1-CB 4.08Å; I21-I88 HydrophobicContact CG1-CG2 3.98Å; L22-I88 PolarHBondContact N-O 3.11Å; I88-V90 HydrophobicContact CG2-CG2 4.11Å; I88-V121 CarbonylContact C-O 3.56Å; I88-V121 WeakPolarHBondContact CA-O 3.41Å; I88-V121 HydrophobicContact CG1-CB 4.27Å; I88-L123 HydrophobicContact CG2-CD1 3.51Å; I88-L123 HydrophobicContact CG2-CG 3.83Å; I88-M169 HydrophobicContact CD1-SD 4.03Å; I88-L172 HydrophobicContact CD1-CD2 4.34Å; I88-L172 HydrophobicContact CG1-CD2 4.39Å
89Y98.9Very high98Very high0 Ų041.8 Ų41.80%022%0.221CC..EExtended strand (participates in β ladder)trans-97.9118177-164-97.1000110.4L22 W77 V91 S102 L106 M109 V121 I122 L123L22-Y89 HydrophobicContact CB-CD2 3.94Å; L22-Y89 HydrophobicContact CB-CE2 4.34Å; L22-Y89 WeakPolarHBondContact O-CA 3.37Å; W77-Y89 HydrophobicContact CZ3-CE2 4.44Å; Y89-V91 HydrophobicContact CD1-CG2 3.74Å; Y89-V91 HydrophobicContact CE1-CG2 3.73Å; Y89-S102 WeakPolarHBondContact CE1-OG 3.38Å; Y89-S102 PolarHBondContact OH-O 2.82Å; Y89-S102 PolarHBondContact OH-OG 2.88Å; Y89-L106 HydrophobicContact CD1-CB 4.29Å; Y89-L106 HydrophobicContact CD1-CD1 3.92Å; Y89-L106 HydrophobicContact CD1-CD2 4.35Å; Y89-L106 HydrophobicContact CD1-CG 4.42Å; Y89-L106 HydrophobicContact CD2-CD1 4.02Å; Y89-L106 HydrophobicContact CE1-CB 3.79Å; Y89-L106 HydrophobicContact CE1-CD1 4.29Å; Y89-L106 HydrophobicContact CE1-CD2 4.44Å; Y89-L106 HydrophobicContact CE1-CG 4.39Å; Y89-L106 HydrophobicContact CE2-CB 4.23Å; Y89-L106 HydrophobicContact CE2-CD1 4.41Å; Y89-L106 HydrophobicContact CG-CD1 3.78Å; Y89-L106 PolarHBondContact OH-N 3.19Å; Y89-M109 HydrophobicContact CD2-CE 3.94Å; Y89-M109 HydrophobicContact CD2-SD 4.45Å; Y89-M109 HydrophobicContact CE2-CE 4.48Å; Y89-V121 PolarHBondContact N-O 3.04Å; Y89-I122 CarbonylContact O-C 3.6Å; Y89-I122 WeakPolarHBondContact O-CA 3.28Å; Y89-L123 PolarHBondContact O-N 2.68Å
90V98.9Very high98.1Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-102.8127.8-173.6-171.40000110.3I21 L22 A27 K29 I32 I88 L123 N125I21-V90 HydrophobicContact CD1-CG2 3.87Å; I21-V90 HydrophobicContact CG1-CG2 3.77Å; L22-V90 PolarHBondContact O-N 3.44Å; A27-V90 HydrophobicContact CB-CB 4.34Å; A27-V90 HydrophobicContact CB-CG1 4.05Å; A27-V90 WeakPolarHBondContact O-CG1 3.47Å; K29-V90 HydrophobicContact CG-CB 3.86Å; K29-V90 HydrophobicContact CG-CG2 3.82Å; I32-V90 HydrophobicContact CD1-CB 4.45Å; I32-V90 HydrophobicContact CD1-CG1 3.63Å; I32-V90 HydrophobicContact CD1-CG2 3.89Å; I88-V90 HydrophobicContact CG2-CG2 4.11Å; V90-L123 HydrophobicContact CG2-CD1 4.44Å; V90-N125 HydrophobicContact CG1-CB 3.78Å
91V98.9Very high98.2Very high2 Ų239.6 Ų39.61%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-118.9126.1179-178.30000109.6Y89 S93 V99 I122 L123 N125 V138 L142Y89-V91 HydrophobicContact CD1-CG2 3.74Å; Y89-V91 HydrophobicContact CE1-CG2 3.73Å; V91-S93 PolarHBondContact O-N 3.39Å; V91-V99 HydrophobicContact CG1-CG2 4.4Å; V91-I122 HydrophobicContact CG2-CG2 4.27Å; V91-L123 PolarHBondContact N-O 3.07Å; V91-N125 PolarHBondContact O-N 2.97Å; V91-V138 HydrophobicContact CG1-CG1 4.28Å; V91-L142 HydrophobicContact CG2-CD1 3.75Å; V91-L142 HydrophobicContact CG2-CD2 4.14Å
92D98.8Very high98.2Very high18 Ų1839.3 Ų39.310%0.09622%0.215CC..EExtended strand (participates in β ladder)trans-69.9113.1170-169.3-22.9000109.7A27 M94 D95 K126A27-D92 HydrophobicContact CB-CB 4.4Å; D92-M94 PolarHBondContact O-N 3.18Å; D92-M94 WeakPolarHBondContact OD1-CA 3.45Å; D92-M94 WeakPolarHBondContact OD1-CB 3.38Å; D92-M94 PolarHBondContact OD1-N 3.17Å; D92-D95 HydrophobicContact CB-CB 3.7Å; D92-D95 PolarHBondContact O-N 3.34Å; D92-D95 PolarHBondContact OD1-N 2.78Å; D92-K126 WeakPolarHBondContact OD1-CD 2.93Å; D92-K126 IonicContact OD1-NZ 2.68Å; D92-K126 VanDerWaalsContact OD2-CE 3.24Å; D92-K126 WeakPolarHBondContact OD2-CE 3.23Å; D92-K126 IonicContact OD2-NZ 2.78Å; D92-K126 PolarHBondContact OD2-NZ 2.82Å
93S98.8Very high98.4Very high0 Ų040.8 Ų40.80%021%0.212CC..SBendtrans-75.3-14.5-179.7-55.50000112.7V91 N125 Q127 C132 M133V91-S93 PolarHBondContact O-N 3.39Å; S93-N125 WeakPolarHBondContact CB-O 3.47Å; S93-N125 PolarHBondContact N-O 3.37Å; S93-N125 PolarHBondContact OG-O 3.24Å; S93-Q127 PolarHBondContact OG-NE2 2.99Å; S93-C132 CarbonylContact O-C 3.56Å; S93-C132 WeakPolarHBondContact O-CA 3.48Å; S93-M133 WeakPolarHBondContact O-CB 3.39Å; S93-M133 PolarHBondContact O-N 2.85Å
94M98.5Very high98.5Very high73 Ų7340 Ų4036%0.3620%0.204SC..SBendtrans-87.5-22.5173.6-78.9-62-6800113.1D92 K96 I129 C132D92-M94 PolarHBondContact O-N 3.18Å; D92-M94 WeakPolarHBondContact OD1-CA 3.45Å; D92-M94 WeakPolarHBondContact OD1-CB 3.38Å; D92-M94 PolarHBondContact OD1-N 3.17Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3.12Å; M94-I129 HydrophobicContact CE-CG2 3.75Å; M94-I129 HydrophobicContact CG-CB 3.69Å; M94-I129 HydrophobicContact CG-CD1 3.98Å; M94-I129 HydrophobicContact CG-CG1 4.36Å; M94-I129 HydrophobicContact CG-CG2 3.7Å; M94-I129 HydrophobicContact SD-CB 3.98Å; M94-I129 HydrophobicContact SD-CG2 3.61Å; M94-C132 HydrophobicContact CG-CB 3.93Å; M94-C132 WeakPolarHBondContact SD-CA 3.4Å; M94-C132 HydrophobicContact SD-CB 3.56Å; M94-C132 VanDerWaalsContact SD-CB 3.56Å; M94-C132 PolarHBondContact SD-N 3.48Å
95D98.4Very high98.6Very high28 Ų2841.5 Ų41.515%0.1521%0.21CC..  trans-86.372.1-176.6-163.5-21.1000111.8D92 D97 R98 V99D92-D95 HydrophobicContact CB-CB 3.7Å; D92-D95 PolarHBondContact O-N 3.34Å; D92-D95 PolarHBondContact OD1-N 2.78Å; D95-D97 PolarHBondContact O-N 3.38Å; D95-R98 WeakPolarHBondContact OD1-CB 3.29Å; D95-R98 WeakPolarHBondContact OD1-CG 3.28Å; D95-R98 PolarHBondContact OD1-N 3.08Å; D95-R98 IonicContact OD1-NE 2.76Å; D95-R98 IonicContact OD2-CZ 3.55Å; D95-R98 IonicContact OD2-NE 3.7Å; D95-R98 PolarHBondContact OD2-NE 2.59Å; D95-R98 IonicContact OD2-NH2 3.76Å; D95-R98 PolarHBondContact OD2-NH2 2.94Å; D95-V99 PolarHBondContact O-N 3.14Å
96K98.3Very high98.7Very high110 Ų11039.5 Ų39.548%0.47820%0.199SC..THydrogen-bonded Turntrans-64.1-30.1179-61.2-176.6-173.5-1800112M94 V99 G131 M133M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3.12Å; K96-V99 WeakPolarHBondContact O-CG1 3.23Å; K96-G131 VanDerWaalsContact CE-O 3.24Å; K96-G131 WeakPolarHBondContact CE-O 3.5Å; K96-G131 PolarHBondContact NZ-O 3.34Å; K96-M133 HydrophobicContact CD-CG 4.35Å; K96-M133 HydrophobicContact CG-CE 4.41Å; K96-M133 HydrophobicContact CG-CG 3.9Å; K96-M133 HydrophobicContact CG-SD 4.15Å
97D98.5Very high98.7Very high154 Ų15441.7 Ų41.782%0.82421%0.209SC*.THydrogen-bonded Turntrans-71.4-37.5-176.3-62.3-28.2000111.9D95D95-D97 PolarHBondContact O-N 3.38Å
98R98.6Very high98.6Very high67 Ų6744.7 Ų44.725%0.25323%0.229SC..THydrogen-bonded Turntrans-99.82.3-177.8-57-169.6-64.4161.57114.3L24 D25 D95 G100 I101 S102L24-R98 HydrophobicContact CD1-CB 3.79Å; D25-R98 PolarHBondContact O-NH2 3.12Å; D25-R98 IonicContact OD1-NH1 3.75Å; D25-R98 PolarHBondContact OD1-NH1 3.05Å; D25-R98 IonicContact OD2-CZ 2.68Å; D25-R98 IonicContact OD2-NH1 3.13Å; D25-R98 PolarHBondContact OD2-NH1 3.34Å; D25-R98 IonicContact OD2-NH2 3.95Å; D95-R98 WeakPolarHBondContact OD1-CB 3.29Å; D95-R98 WeakPolarHBondContact OD1-CG 3.28Å; D95-R98 PolarHBondContact OD1-N 3.08Å; D95-R98 IonicContact OD1-NE 2.76Å; D95-R98 IonicContact OD2-CZ 3.55Å; D95-R98 IonicContact OD2-NE 3.7Å; D95-R98 PolarHBondContact OD2-NE 2.59Å; D95-R98 IonicContact OD2-NH2 3.76Å; D95-R98 PolarHBondContact OD2-NH2 2.94Å; R98-G100 PolarHBondContact O-N 3.43Å; R98-I101 HydrophobicContact CB-CD1 4.29Å; R98-I101 HydrophobicContact CG-CD1 4.24Å; R98-I101 WeakPolarHBondContact O-CA 3.46Å; R98-I101 WeakPolarHBondContact O-CB 3.39Å; R98-I101 PolarHBondContact O-N 3.3Å; R98-S102 PolarHBondContact O-N 2.81Å
99V98.7Very high98.6Very high17 Ų1744.6 Ų44.610%0.10323%0.229CC..Hα-helixtrans-59.4-32.8178.676.60000112.7V91 D95 K96 S102 K103 M133 L142V91-V99 HydrophobicContact CG1-CG2 4.4Å; D95-V99 PolarHBondContact O-N 3.14Å; K96-V99 WeakPolarHBondContact O-CG1 3.23Å; V99-S102 WeakPolarHBondContact O-CB 3.34Å; V99-S102 PolarHBondContact O-N 2.78Å; V99-K103 PolarHBondContact O-N 2.89Å; V99-M133 HydrophobicContact CB-CE 4.07Å; V99-M133 HydrophobicContact CG2-CE 3.92Å; V99-M133 HydrophobicContact CG2-SD 4.36Å; V99-L142 HydrophobicContact CG2-CD2 4.24Å
100G98.7Very high98.5Very high37 Ų3745.9 Ų45.938%0.38124%0.236SC..Hα-helixtrans-64.7-37.417400000113.1R98 K103 Q104R98-G100 PolarHBondContact O-N 3.43Å; G100-K103 WeakPolarHBondContact O-CB 3.39Å; G100-K103 PolarHBondContact O-N 2.68Å; G100-Q104 WeakPolarHBondContact O-CG 3.4Å; G100-Q104 PolarHBondContact O-N 3Å
101I98.7Very high98.3Very high62 Ų6253.5 Ų53.532%0.31827%0.271SS..Hα-helixtrans-68.1-44.8172.9-55.7173.9000109.1L24 R74 R98 K103 Q104 E105L24-I101 HydrophobicContact CD1-CB 4.23Å; L24-I101 HydrophobicContact CD1-CG2 4.32Å; L24-I101 HydrophobicContact CD2-CG2 4.1Å; R74-I101 VanDerWaalsContact NH1-CG2 3.3Å; R98-I101 HydrophobicContact CB-CD1 4.29Å; R98-I101 HydrophobicContact CG-CD1 4.24Å; R98-I101 WeakPolarHBondContact O-CA 3.46Å; R98-I101 WeakPolarHBondContact O-CB 3.39Å; R98-I101 PolarHBondContact O-N 3.3Å; I101-K103 PolarHBondContact O-N 3.28Å; I101-Q104 WeakPolarHBondContact O-CB 3.32Å; I101-Q104 PolarHBondContact O-N 3.48Å; I101-E105 HydrophobicContact CG2-CG 4.34Å; I101-E105 WeakPolarHBondContact O-CG 3.44Å; I101-E105 PolarHBondContact O-N 3.44Å
102S98.8Very high98.2Very high4 Ų456.6 Ų56.63%0.02829%0.286CS..Hα-helixtrans-57.3-38.1177-1700000112.2Y89 R98 V99 L106Y89-S102 WeakPolarHBondContact CE1-OG 3.38Å; Y89-S102 PolarHBondContact OH-O 2.82Å; Y89-S102 PolarHBondContact OH-OG 2.88Å; R98-S102 PolarHBondContact O-N 2.81Å; V99-S102 WeakPolarHBondContact O-CB 3.34Å; V99-S102 PolarHBondContact O-N 2.78Å; S102-L106 VanDerWaalsContact O-CB 3.32Å; S102-L106 WeakPolarHBondContact O-CB 3.42Å; S102-L106 PolarHBondContact O-N 3.27Å
103K98.8Very high98.1Very high83 Ų8363.1 Ų63.136%0.36132%0.316SS..Hα-helixtrans-61.5-48.9171.2173.4175-178.8179.50112.2V99 G100 I101 E105 L106 F107 S141 L142V99-K103 PolarHBondContact O-N 2.89Å; G100-K103 WeakPolarHBondContact O-CB 3.39Å; G100-K103 PolarHBondContact O-N 2.68Å; I101-K103 PolarHBondContact O-N 3.28Å; K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 PolarHBondContact O-N 2.99Å; K103-L106 PolarHBondContact O-N 2.9Å; K103-F107 HydrophobicContact CG-CD2 3.98Å; K103-F107 HydrophobicContact CG-CE2 4.29Å; K103-F107 WeakPolarHBondContact O-CD2 3.46Å; K103-F107 PolarHBondContact O-N 3.47Å; K103-S141 WeakPolarHBondContact CD-O 3.38Å; K103-L142 HydrophobicContact CB-CD2 4.29Å; K103-L142 WeakPolarHBondContact CD-O 3.42Å; K103-L142 WeakPolarHBondContact CE-O 3.49Å; K103-L142 VanDerWaalsContact CG-O 3.3Å; K103-L142 WeakPolarHBondContact CG-O 3.4Å
104Q98.6Very high98.1Very high128 Ų12868.3 Ų68.360%0.59834%0.34SS*.Hα-helixtrans-59.3-45.5-178.5-70.9170.3200111.3G100 I101 F107 S108G100-Q104 WeakPolarHBondContact O-CG 3.4Å; G100-Q104 PolarHBondContact O-N 3Å; I101-Q104 WeakPolarHBondContact O-CB 3.32Å; I101-Q104 PolarHBondContact O-N 3.48Å; Q104-F107 PolarHBondContact O-N 2.71Å; Q104-S108 WeakPolarHBondContact O-CB 3.12Å; Q104-S108 PolarHBondContact O-N 3.3Å; Q104-S108 PolarHBondContact O-OG 2.88Å
105E98.6Very high98Very high42 Ų4264.9 Ų64.920%0.19632%0.323CS..Hα-helixtrans-64.6-42.3177.4-62.1-63.7169.600112L24 R74 W77 I101 K103 M109L24-E105 HydrophobicContact CD2-CG 3.97Å; R74-E105 VanDerWaalsContact CD-CD 3.41Å; R74-E105 VanDerWaalsContact CD-OE1 3.28Å; R74-E105 WeakPolarHBondContact CD-OE1 3Å; R74-E105 IonicContact CZ-OE1 3.75Å; R74-E105 IonicContact NE-OE1 3.79Å; R74-E105 IonicContact NH1-OE1 3.31Å; R74-E105 PolarHBondContact NH1-OE1 3.01Å; W77-E105 HydrophobicContact CH2-CB 4.32Å; W77-E105 HydrophobicContact CZ3-CB 3.96Å; I101-E105 HydrophobicContact CG2-CG 4.34Å; I101-E105 WeakPolarHBondContact O-CG 3.44Å; I101-E105 PolarHBondContact O-N 3.44Å; K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 PolarHBondContact O-N 2.99Å; E105-M109 VanDerWaalsContact O-CB 3.3Å; E105-M109 WeakPolarHBondContact O-CB 3.33Å; E105-M109 PolarHBondContact O-N 2.79Å
106L98.7Very high97.8Very high0 Ų072.8 Ų72.80%035%0.351CS..Hα-helixtrans-57.6-51.7175.2174.860.1000110.9Y89 S102 K103 M109 L110 L120 L142 L144Y89-L106 HydrophobicContact CD1-CB 4.29Å; Y89-L106 HydrophobicContact CD1-CD1 3.92Å; Y89-L106 HydrophobicContact CD1-CD2 4.35Å; Y89-L106 HydrophobicContact CD1-CG 4.42Å; Y89-L106 HydrophobicContact CD2-CD1 4.02Å; Y89-L106 HydrophobicContact CE1-CB 3.79Å; Y89-L106 HydrophobicContact CE1-CD1 4.29Å; Y89-L106 HydrophobicContact CE1-CD2 4.44Å; Y89-L106 HydrophobicContact CE1-CG 4.39Å; Y89-L106 HydrophobicContact CE2-CB 4.23Å; Y89-L106 HydrophobicContact CE2-CD1 4.41Å; Y89-L106 HydrophobicContact CG-CD1 3.78Å; Y89-L106 PolarHBondContact OH-N 3.19Å; S102-L106 VanDerWaalsContact O-CB 3.32Å; S102-L106 WeakPolarHBondContact O-CB 3.42Å; S102-L106 PolarHBondContact O-N 3.27Å; K103-L106 PolarHBondContact O-N 2.9Å; L106-M109 HydrophobicContact CD1-CE 3.71Å; L106-M109 PolarHBondContact O-N 2.87Å; L106-L110 HydrophobicContact CD1-CD1 3.77Å; L106-L110 HydrophobicContact CD1-CG 4.08Å; L106-L110 HydrophobicContact CG-CD1 4Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 3.45Å; L106-L120 HydrophobicContact CD1-CD1 4.42Å; L106-L120 HydrophobicContact CD1-CD2 4.32Å; L106-L142 HydrophobicContact CD2-CB 4.39Å; L106-L142 HydrophobicContact CD2-CD1 4.41Å; L106-L144 HydrophobicContact CD2-CD2 3.92Å
107F98.4Very high97.6Very high47 Ų4770.2 Ų70.221%0.20636%0.356CS..Hα-helixtrans-70.9-39.7-176.5-84.6-96.9000112.5K103 Q104 M109 L110 E111 L142 G143 A146 I147K103-F107 HydrophobicContact CG-CD2 3.98Å; K103-F107 HydrophobicContact CG-CE2 4.29Å; K103-F107 WeakPolarHBondContact O-CD2 3.46Å; K103-F107 PolarHBondContact O-N 3.47Å; Q104-F107 PolarHBondContact O-N 2.71Å; F107-M109 VanDerWaalsContact C-N 3.3Å; F107-M109 PolarHBondContact O-N 2.93Å; F107-L110 PolarHBondContact O-N 3.46Å; F107-L110 VanDerWaalsContact O-N 3.09Å; F107-E111 WeakPolarHBondContact O-CG 3.36Å; F107-E111 PolarHBondContact O-N 3.24Å; F107-E111 VanDerWaalsContact O-N 3.17Å; F107-L142 WeakPolarHBondContact CE2-O 3.33Å; F107-G143 WeakPolarHBondContact CZ-O 3.32Å; F107-A146 HydrophobicContact CE1-CB 3.95Å; F107-A146 HydrophobicContact CZ-CB 3.99Å; F107-I147 HydrophobicContact CE1-CG1 4.22Å; F107-I147 HydrophobicContact CZ-CG1 3.81Å
108S97.6Very high97.5Very high62 Ų6263 Ų6343%0.43432%0.318SS..Hα-helixtrans-58.5-43.9175.7-54.90000111.1Q104 E111Q104-S108 WeakPolarHBondContact O-CB 3.12Å; Q104-S108 PolarHBondContact O-N 3.3Å; Q104-S108 PolarHBondContact O-OG 2.88Å; S108-E111 PolarHBondContact O-N 3.49Å
109M97.4Very high97.5Very high2 Ų259.9 Ų59.91%0.0131%0.306CS..Hα-helixtrans-64-40.7174.8171.9-165.569.800112.4L22 Y81 I87 Y89 E105 L106 F107 E111 E112 L115L22-M109 HydrophobicContact CB-SD 4.34Å; L22-M109 HydrophobicContact CD1-CG 4.41Å; L22-M109 HydrophobicContact CD1-SD 3.21Å; L22-M109 WeakPolarHBondContact CD1-SD 3.46Å; L22-M109 HydrophobicContact CG-SD 4.36Å; Y81-M109 HydrophobicContact CE1-CG 4.18Å; Y81-M109 HydrophobicContact CE2-CG 4.45Å; I87-M109 HydrophobicContact CD1-CE 4.06Å; I87-M109 HydrophobicContact CD1-SD 4.2Å; I87-M109 HydrophobicContact CG2-CE 3.87Å; I87-M109 HydrophobicContact CG2-SD 3.99Å; Y89-M109 HydrophobicContact CD2-CE 3.94Å; Y89-M109 HydrophobicContact CD2-SD 4.45Å; Y89-M109 HydrophobicContact CE2-CE 4.48Å; E105-M109 VanDerWaalsContact O-CB 3.3Å; E105-M109 WeakPolarHBondContact O-CB 3.33Å; E105-M109 PolarHBondContact O-N 2.79Å; L106-M109 HydrophobicContact CD1-CE 3.71Å; L106-M109 PolarHBondContact O-N 2.87Å; F107-M109 VanDerWaalsContact C-N 3.3Å; F107-M109 PolarHBondContact O-N 2.93Å; M109-E111 PolarHBondContact O-N 2.98Å; M109-E112 WeakPolarHBondContact O-CB 3.3Å; M109-E112 PolarHBondContact O-N 3.49Å; M109-L115 HydrophobicContact CG-CD1 3.31Å; M109-L115 WeakPolarHBondContact O-CD1 3.47Å; M109-L115 HydrophobicContact SD-CD1 4.19Å
110L96.9Very high97.5Very high27 Ų2759 Ų5914%0.14130%0.301CS..Hα-helixtrans-72-14.9-176.4-69.4177.4000113.9I87 L106 F107 E112 L120 I147I87-L110 HydrophobicContact CD1-CD2 4.31Å; L106-L110 HydrophobicContact CD1-CD1 3.77Å; L106-L110 HydrophobicContact CD1-CG 4.08Å; L106-L110 HydrophobicContact CG-CD1 4Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 3.45Å; F107-L110 PolarHBondContact O-N 3.46Å; F107-L110 VanDerWaalsContact O-N 3.09Å; L110-E112 VanDerWaalsContact C-N 3.3Å; L110-L120 HydrophobicContact CD1-CD2 3.94Å; L110-L120 HydrophobicContact CD2-CD2 4.08Å; L110-I147 HydrophobicContact CD1-CD1 3.82Å; L110-I147 HydrophobicContact CD1-CG1 4.16Å
111E95.8Very high97.5Very high160 Ų16057.4 Ų57.475%0.74828%0.283SS*.THydrogen-bonded Turntrans-77.8-13.8174-72.8173.9177.200113.1F107 S108 M109F107-E111 WeakPolarHBondContact O-CG 3.36Å; F107-E111 PolarHBondContact O-N 3.24Å; F107-E111 VanDerWaalsContact O-N 3.17Å; S108-E111 PolarHBondContact O-N 3.49Å; M109-E111 PolarHBondContact O-N 2.98Å
112E97.5Very high97.5Very high67 Ų6754.4 Ų54.431%0.31327%0.268SS..  trans-76.9130.3-174.5-61.1-86.1-163.800111.3Y81 M109 L110 E114 L115 R116Y81-E112 HydrophobicContact CD2-CB 3.89Å; Y81-E112 HydrophobicContact CD2-CG 4Å; Y81-E112 HydrophobicContact CE2-CB 4.06Å; Y81-E112 HydrophobicContact CE2-CG 3.68Å; M109-E112 WeakPolarHBondContact O-CB 3.3Å; M109-E112 PolarHBondContact O-N 3.49Å; L110-E112 VanDerWaalsContact C-N 3.3Å; E112-E114 VanDerWaalsContact C-N 3.31Å; E112-E114 PolarHBondContact O-N 3.17Å; E112-L115 PolarHBondContact O-N 2.81Å; E112-R116 PolarHBondContact O-N 2.76Å
113E96.1Very high97.5Very high156 Ų15654.4 Ų54.473%0.72927%0.268SS*.G310 helixtrans-62.7-39.1-171.2-176172.1-162.700111.7L115 R116E113-L115 PolarHBondContact O-N 3.12Å; E113-L115 VanDerWaalsContact O-N 3.12Å; E113-R116 VanDerWaalsContact O-CB 3.22Å; E113-R116 WeakPolarHBondContact O-CB 3.36Å; E113-R116 PolarHBondContact O-N 2.64Å
114E97.6Very high97.5Very high109 Ų10950.5 Ų50.551%0.50925%0.251SS..G310 helixtrans-59-25.7177.9-63.393.2146.500112.4E112E112-E114 VanDerWaalsContact C-N 3.31Å; E112-E114 PolarHBondContact O-N 3.17Å
115L97.6Very high97.5Very high0 Ų044.5 Ų44.50%022%0.223CC..G310 helixtrans-96.7-4.8179.6-65.5-178.2000112.9L20 Y81 T84 I87 M109 E112 E113 G117 A118 R150L20-L115 HydrophobicContact CD1-CD2 4.32Å; Y81-L115 HydrophobicContact CD1-CD1 3.72Å; Y81-L115 HydrophobicContact CD1-CD2 4.2Å; Y81-L115 HydrophobicContact CD1-CG 4.2Å; Y81-L115 HydrophobicContact CD2-CD1 3.76Å; Y81-L115 HydrophobicContact CD2-CG 4.04Å; Y81-L115 HydrophobicContact CE1-CD1 3.86Å; Y81-L115 HydrophobicContact CE2-CD1 3.97Å; Y81-L115 HydrophobicContact CG-CD1 3.66Å; Y81-L115 HydrophobicContact CG-CD2 4.05Å; Y81-L115 HydrophobicContact CG-CG 3.78Å; T84-L115 HydrophobicContact CG2-CD2 3.98Å; I87-L115 HydrophobicContact CD1-CB 4.23Å; I87-L115 HydrophobicContact CD1-CD1 3.83Å; I87-L115 HydrophobicContact CD1-CD2 4.07Å; I87-L115 HydrophobicContact CD1-CG 4.27Å; I87-L115 HydrophobicContact CG1-CD2 4.34Å; M109-L115 HydrophobicContact CG-CD1 3.31Å; M109-L115 WeakPolarHBondContact O-CD1 3.47Å; M109-L115 HydrophobicContact SD-CD1 4.19Å; E112-L115 PolarHBondContact O-N 2.81Å; E113-L115 PolarHBondContact O-N 3.12Å; E113-L115 VanDerWaalsContact O-N 3.12Å; L115-G117 PolarHBondContact O-N 3.08Å; L115-A118 WeakPolarHBondContact O-CB 3.49Å; L115-A118 PolarHBondContact O-N 3Å; L115-R150 PolarHBondContact O-NH1 3.32Å; L115-R150 PolarHBondContact O-NH2 2.94Å
116R94.6Very high97.5Very high194 Ų19445 Ų4573%0.73222%0.224SC*.THydrogen-bonded Turntrans-52.3-36.4-172.5-173.8176.4177.4-179.40.3114.3E112 E113E112-R116 PolarHBondContact O-N 2.76Å; E113-R116 VanDerWaalsContact O-CB 3.22Å; E113-R116 WeakPolarHBondContact O-CB 3.36Å; E113-R116 PolarHBondContact O-N 2.64Å
117G93.1Very high97.5Very high57 Ų5745.7 Ų45.759%0.58823%0.228SC*.THydrogen-bonded Turntrans-86.1-13.8-179.300000115.8L115 Q179L115-G117 PolarHBondContact O-N 3.08Å; G117-Q179 PolarHBondContact O-NE2 2.98Å
118A97.3Very high97.5Very high3 Ų345.7 Ų45.73%0.02523%0.229CC..  trans-66.9143-170.500000113T84 D85 I87 L115 R150T84-A118 HydrophobicContact CG2-CB 4.33Å; D85-A118 VanDerWaalsContact O-CA 3.3Å; D85-A118 WeakPolarHBondContact O-CA 3.36Å; I87-A118 HydrophobicContact CD1-CB 4.11Å; I87-A118 HydrophobicContact CG1-CB 4.14Å; L115-A118 WeakPolarHBondContact O-CB 3.49Å; L115-A118 PolarHBondContact O-N 3Å; A118-R150 PolarHBondContact O-NH1 3.19Å
119V97.9Very high97.5Very high0 Ų046 Ų460%023%0.226CC..EExtended strand (participates in β ladder)trans-74.1141.3168.61780000109.2D85 A86 I87 W171 L172 T175 L176 Q179D85-V119 PolarHBondContact O-N 3.13Å; A86-V119 CarbonylContact C-O 3.58Å; A86-V119 WeakPolarHBondContact CA-O 3.4Å; A86-V119 HydrophobicContact CB-CB 4.09Å; A86-V119 WeakPolarHBondContact CB-O 3.15Å; I87-V119 PolarHBondContact N-O 3.46Å; V119-W171 HydrophobicContact CG1-CH2 3.77Å; V119-W171 HydrophobicContact CG1-CZ3 3.6Å; V119-L172 HydrophobicContact CB-CD1 4.17Å; V119-L172 HydrophobicContact CG1-CD1 3.88Å; V119-T175 HydrophobicContact CB-CG2 4.38Å; V119-T175 HydrophobicContact CG1-CG2 3.63Å; V119-T175 HydrophobicContact CG2-CG2 3.77Å; V119-L176 HydrophobicContact CB-CD2 4.39Å; V119-L176 HydrophobicContact CG2-CD2 3.85Å; V119-L176 HydrophobicContact CG2-CG 4.49Å; V119-Q179 HydrophobicContact CG2-CG 4.41Å
120L98.7Very high97.5Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-111.2121.3178.4174.866.7000111.8I87 L106 L110 I122 I147 R150 R151 Y152 Q153I87-L120 HydrophobicContact CB-CD1 3.98Å; I87-L120 HydrophobicContact CG2-CD1 3.93Å; L106-L120 HydrophobicContact CD1-CD1 4.42Å; L106-L120 HydrophobicContact CD1-CD2 4.32Å; L110-L120 HydrophobicContact CD1-CD2 3.94Å; L110-L120 HydrophobicContact CD2-CD2 4.08Å; L120-I122 HydrophobicContact CD1-CD1 4.49Å; L120-I122 HydrophobicContact CD1-CG1 4.32Å; L120-I122 HydrophobicContact CD2-CD1 3.71Å; L120-I122 HydrophobicContact CD2-CG1 4.16Å; L120-I122 HydrophobicContact CG-CD1 3.69Å; L120-I122 HydrophobicContact CG-CG1 4.05Å; L120-I147 HydrophobicContact CD2-CD1 3.92Å; L120-R150 HydrophobicContact CB-CG 4.47Å; L120-R151 PolarHBondContact N-O 3.36Å; L120-R151 VanDerWaalsContact N-O 3.09Å; L120-Y152 CarbonylContact O-C 3.46Å; L120-Y152 WeakPolarHBondContact O-CA 3.14Å; L120-Y152 VanDerWaalsContact O-CB 3.31Å; L120-Y152 WeakPolarHBondContact O-CB 3.1Å; L120-Q153 PolarHBondContact O-N 3.24Å; L120-Q153 VanDerWaalsContact O-N 3.11Å
121V98.9Very high97.5Very high2 Ų252.3 Ų52.31%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-105.6126.3166.6173.30000107.5I87 I88 Y89 L123 F155 A168 W171 L172I87-V121 PolarHBondContact O-N 3.43Å; I88-V121 CarbonylContact C-O 3.56Å; I88-V121 WeakPolarHBondContact CA-O 3.41Å; I88-V121 HydrophobicContact CG1-CB 4.27Å; Y89-V121 PolarHBondContact N-O 3.04Å; V121-L123 HydrophobicContact CG1-CD2 3.46Å; V121-L123 VanDerWaalsContact CG1-CD2 3.46Å; V121-L123 HydrophobicContact CG1-CG 4.09Å; V121-F155 HydrophobicContact CG1-CD2 3.97Å; V121-F155 HydrophobicContact CG1-CE2 4.23Å; V121-A168 HydrophobicContact CG1-CB 4.24Å; V121-W171 HydrophobicContact CG2-CE3 3.77Å; V121-W171 HydrophobicContact CG2-CZ3 3.63Å; V121-L172 HydrophobicContact CG2-CB 4.03Å; V121-L172 HydrophobicContact CG2-CD1 4.03Å; V121-L172 HydrophobicContact CG2-CD2 4.29Å; V121-L172 HydrophobicContact CG2-CG 4.34Å
122I98.9Very high97.6Very high0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-104.9127.1170.6-54.195.6000108.3Y89 V91 L120 L142 L144 Y152 Q153 L154 F155Y89-I122 CarbonylContact O-C 3.6Å; Y89-I122 WeakPolarHBondContact O-CA 3.28Å; V91-I122 HydrophobicContact CG2-CG2 4.27Å; L120-I122 HydrophobicContact CD1-CD1 4.49Å; L120-I122 HydrophobicContact CD1-CG1 4.32Å; L120-I122 HydrophobicContact CD2-CD1 3.71Å; L120-I122 HydrophobicContact CD2-CG1 4.16Å; L120-I122 HydrophobicContact CG-CD1 3.69Å; L120-I122 HydrophobicContact CG-CG1 4.05Å; I122-L142 HydrophobicContact CG2-CD1 3.99Å; I122-L144 HydrophobicContact CD1-CD1 4.37Å; I122-L144 HydrophobicContact CD1-CD2 4.34Å; I122-L144 HydrophobicContact CG1-CD2 4.41Å; I122-Y152 HydrophobicContact CD1-CD2 3.52Å; I122-Y152 HydrophobicContact CD1-CE2 4.35Å; I122-Y152 HydrophobicContact CD1-CG 4.17Å; I122-Q153 PolarHBondContact N-O 3.48Å; I122-L154 HydrophobicContact CB-CD1 3.78Å; I122-L154 HydrophobicContact CG2-CD1 3.59Å; I122-L154 WeakPolarHBondContact O-CA 3.41Å; I122-F155 PolarHBondContact O-N 3.33Å
123L98.9Very high97.7Very high4 Ų443 Ų432%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-107.8107.7175.5-55.3-174000108.9I32 I88 Y89 V90 V91 V121 N125 F155 T157 L165 A168I32-L123 HydrophobicContact CD1-CD1 3.89Å; I32-L123 HydrophobicContact CG2-CD1 4.18Å; I88-L123 HydrophobicContact CG2-CD1 3.51Å; I88-L123 HydrophobicContact CG2-CG 3.83Å; Y89-L123 PolarHBondContact O-N 2.68Å; V90-L123 HydrophobicContact CG2-CD1 4.44Å; V91-L123 PolarHBondContact N-O 3.07Å; V121-L123 HydrophobicContact CG1-CD2 3.46Å; V121-L123 VanDerWaalsContact CG1-CD2 3.46Å; V121-L123 HydrophobicContact CG1-CG 4.09Å; L123-N125 PolarHBondContact O-N 2.85Å; L123-N125 VanDerWaalsContact O-N 3.11Å; L123-F155 HydrophobicContact CD2-CB 3.96Å; L123-F155 HydrophobicContact CD2-CD2 4.3Å; L123-T157 HydrophobicContact CB-CG2 4.24Å; L123-T157 HydrophobicContact CD2-CG2 3.84Å; L123-T157 HydrophobicContact CG-CG2 4.4Å; L123-L165 HydrophobicContact CD1-CD2 4.22Å; L123-A168 HydrophobicContact CD2-CB 3.72Å
124A98.9Very high97.8Very high0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-73.395.2163.300000107.2Q127 V138 L154 F155 T157A124-Q127 WeakPolarHBondContact O-CG 3.33Å; A124-V138 HydrophobicContact CB-CB 4.38Å; A124-V138 HydrophobicContact CB-CG1 4.15Å; A124-V138 HydrophobicContact CB-CG2 4.11Å; A124-L154 HydrophobicContact CB-CD1 4.07Å; A124-F155 PolarHBondContact N-O 3.23Å; A124-T157 PolarHBondContact O-N 2.92Å; A124-T157 PolarHBondContact O-OG1 3.45Å; A124-T157 VanDerWaalsContact O-OG1 3.1Å
125N98.9Very high97.8Very high3 Ų336.7 Ų36.72%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-93.1164.6-174.4-170.632.3000112.2A27 I32 V90 V91 S93 L123 Q127 T157 A159A27-N125 PolarHBondContact O-ND2 2.91Å; I32-N125 HydrophobicContact CD1-CB 4.34Å; V90-N125 HydrophobicContact CG1-CB 3.78Å; V91-N125 PolarHBondContact O-N 2.97Å; S93-N125 WeakPolarHBondContact CB-O 3.47Å; S93-N125 PolarHBondContact N-O 3.37Å; S93-N125 PolarHBondContact OG-O 3.24Å; L123-N125 PolarHBondContact O-N 2.85Å; L123-N125 VanDerWaalsContact O-N 3.11Å; N125-Q127 VanDerWaalsContact C-N 3.33Å; N125-T157 CarbonylContact C-O 3.59Å; N125-T157 WeakPolarHBondContact CA-O 3.33Å; N125-T157 WeakPolarHBondContact CA-OG1 3.34Å; N125-A159 PolarHBondContact OD1-N 3.4Å
126K98.6Very high97.8Very high53 Ų5340.9 Ų40.923%0.2325%0.245CC..  trans65.932.9-176.1-47.8-168.1-169.1171.10113.6G26 D92 D128 I129 T157G26-K126 WeakPolarHBondContact O-CE 3.49Å; G26-K126 PolarHBondContact O-NZ 2.98Å; D92-K126 WeakPolarHBondContact OD1-CD 2.93Å; D92-K126 IonicContact OD1-NZ 2.68Å; D92-K126 VanDerWaalsContact OD2-CE 3.24Å; D92-K126 WeakPolarHBondContact OD2-CE 3.23Å; D92-K126 IonicContact OD2-NZ 2.78Å; D92-K126 PolarHBondContact OD2-NZ 2.82Å; K126-D128 WeakPolarHBondContact CA-OD1 3.5Å; K126-D128 PolarHBondContact O-N 3.06Å; K126-I129 HydrophobicContact CB-CD1 3.86Å; K126-I129 HydrophobicContact CB-CG1 4.23Å; K126-I129 HydrophobicContact CD-CD1 4.07Å; K126-I129 HydrophobicContact CG-CD1 4.47Å; K126-I129 PolarHBondContact O-N 2.97Å; K126-T157 PolarHBondContact N-O 3.22Å
127Q98.4Very high98Very high14 Ų1435.6 Ų35.67%0.06523%0.228CC..THydrogen-bonded Turntrans-73.9-2.2179.8-72.2-78.7-32.600114.1S93 A124 N125 M133 K156 T157S93-Q127 PolarHBondContact OG-NE2 2.99Å; A124-Q127 WeakPolarHBondContact O-CG 3.33Å; N125-Q127 VanDerWaalsContact C-N 3.33Å; Q127-M133 PolarHBondContact NE2-O 3.25Å; Q127-K156 HydrophobicContact CB-CD 3.92Å; Q127-K156 HydrophobicContact CB-CG 3.65Å; Q127-K156 HydrophobicContact CG-CB 4.16Å; Q127-K156 HydrophobicContact CG-CD 4.09Å; Q127-K156 HydrophobicContact CG-CG 3.69Å; Q127-K156 PolarHBondContact O-NZ 3.31Å; Q127-T157 VanDerWaalsContact CB-O 3.28Å; Q127-T157 WeakPolarHBondContact CB-O 3.28Å; Q127-T157 WeakPolarHBondContact CG-O 3.4Å; Q127-T157 PolarHBondContact N-O 2.64Å; Q127-T157 VanDerWaalsContact N-O 3.11Å
128D97.7Very high98.3Very high46 Ų4632.9 Ų32.925%0.24620%0.2CC..THydrogen-bonded Turntrans-81.6-14.9169.756.2-70.3000113.5K126 S158 K161K126-D128 WeakPolarHBondContact CA-OD1 3.5Å; K126-D128 PolarHBondContact O-N 3.06Å; D128-S158 WeakPolarHBondContact OD1-CB 3.48Å; D128-S158 PolarHBondContact OD1-OG 2.84Å; D128-K161 HydrophobicContact CB-CD 3.91Å; D128-K161 HydrophobicContact CB-CG 4.31Å
129I97.7Very high98.3Very high69 Ų6934.1 Ų34.135%0.35421%0.211SC..SBendtrans-89.3131.5-177.1-52-177.4000110M94 K126 C132M94-I129 HydrophobicContact CE-CG2 3.75Å; M94-I129 HydrophobicContact CG-CB 3.69Å; M94-I129 HydrophobicContact CG-CD1 3.98Å; M94-I129 HydrophobicContact CG-CG1 4.36Å; M94-I129 HydrophobicContact CG-CG2 3.7Å; M94-I129 HydrophobicContact SD-CB 3.98Å; M94-I129 HydrophobicContact SD-CG2 3.61Å; K126-I129 HydrophobicContact CB-CD1 3.86Å; K126-I129 HydrophobicContact CB-CG1 4.23Å; K126-I129 HydrophobicContact CD-CD1 4.07Å; K126-I129 HydrophobicContact CG-CD1 4.47Å; K126-I129 PolarHBondContact O-N 2.97Å; I129-C132 WeakPolarHBondContact O-CB 3.39Å; I129-C132 PolarHBondContact O-N 2.89Å; I129-C132 PolarHBondContact O-SG 3.13Å
130S96.9Very high98.4Very high116 Ų11641.6 Ų41.681%0.81125%0.245SC*.THydrogen-bonded Turntrans-64.2139.3175.8-172.20000111.6C132S130-C132 VanDerWaalsContact C-N 3.33Å
131G97.3Very high98.4Very high46 Ų4643.7 Ų43.747%0.47426%0.26SS..THydrogen-bonded Turntrans84.21.5-178.800000115.2K96K96-G131 VanDerWaalsContact CE-O 3.24Å; K96-G131 WeakPolarHBondContact CE-O 3.5Å; K96-G131 PolarHBondContact NZ-O 3.34Å
132C98.2Very high98.4Very high24 Ų2443.6 Ų43.616%0.16226%0.259CS..PPolyproline II helixtrans-63.3156.3174.1670000111.6S93 M94 I129 S130S93-C132 CarbonylContact O-C 3.56Å; S93-C132 WeakPolarHBondContact O-CA 3.48Å; M94-C132 HydrophobicContact CG-CB 3.93Å; M94-C132 WeakPolarHBondContact SD-CA 3.4Å; M94-C132 HydrophobicContact SD-CB 3.56Å; M94-C132 VanDerWaalsContact SD-CB 3.56Å; M94-C132 PolarHBondContact SD-N 3.48Å; I129-C132 WeakPolarHBondContact O-CB 3.39Å; I129-C132 PolarHBondContact O-N 2.89Å; I129-C132 PolarHBondContact O-SG 3.13Å; S130-C132 VanDerWaalsContact C-N 3.33Å
133M98.7Very high98.3Very high7 Ų744.2 Ų44.23%0.03427%0.266CS..PPolyproline II helixtrans-61.3136.1169.9-68.8-178.4-74.700110.1S93 K96 V99 Q127 E137 V138S93-M133 WeakPolarHBondContact O-CB 3.39Å; S93-M133 PolarHBondContact O-N 2.85Å; K96-M133 HydrophobicContact CD-CG 4.35Å; K96-M133 HydrophobicContact CG-CE 4.41Å; K96-M133 HydrophobicContact CG-CG 3.9Å; K96-M133 HydrophobicContact CG-SD 4.15Å; V99-M133 HydrophobicContact CB-CE 4.07Å; V99-M133 HydrophobicContact CG2-CE 3.92Å; V99-M133 HydrophobicContact CG2-SD 4.36Å; Q127-M133 PolarHBondContact NE2-O 3.25Å; M133-E137 WeakPolarHBondContact CA-OE2 3.4Å; M133-E137 HydrophobicContact CB-CB 3.98Å; M133-E137 HydrophobicContact CG-CB 4.31Å; M133-V138 HydrophobicContact CB-CG2 3.71Å; M133-V138 HydrophobicContact CE-CG2 4.32Å
134T98.2Very high98.3Very high71 Ų7144.3 Ų44.344%0.43627%0.267SS..PPolyproline II helixtrans-64.4162.2166.762.50000110.9S136 E137 V138T134-S136 PolarHBondContact O-N 2.9Å; T134-E137 WeakPolarHBondContact CB-OE2 3.37Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.33Å; T134-E137 PolarHBondContact N-OE2 2.91Å; T134-E137 PolarHBondContact O-N 3.37Å; T134-E137 VanDerWaalsContact O-N 3.16Å; T134-E137 WeakPolarHBondContact OG1-CG 3.29Å; T134-E137 PolarHBondContact OG1-N 3.01Å; T134-E137 PolarHBondContact OG1-OE2 3.19Å; T134-V138 WeakPolarHBondContact O-CG2 3.18Å; T134-V138 PolarHBondContact O-N 3Å
135I97.7Very high98.2Very high62 Ų6248.9 Ų48.932%0.31830%0.304SS..Hα-helixtrans-52.2-42.6172.9-69.6-134.7000111.3V138 A139 L154 K156I135-V138 PolarHBondContact O-N 3.21Å; I135-A139 WeakPolarHBondContact O-CB 3.19Å; I135-A139 PolarHBondContact O-N 2.86Å; I135-L154 HydrophobicContact CD1-CG 4.48Å; I135-L154 HydrophobicContact CG2-CD2 3.56Å; I135-L154 HydrophobicContact CG2-CG 4.1Å; I135-K156 HydrophobicContact CD1-CB 3.47Å; I135-K156 VanDerWaalsContact CD1-CB 3.47Å; I135-K156 VanDerWaalsContact CD1-N 3.33Å; I135-K156 HydrophobicContact CG1-CB 3.84Å
136S98.4Very high98.1Very high88 Ų8851.6 Ų51.662%0.61533%0.328SS*.Hα-helixtrans-64-43.4-179.2-58.20000111.7T134 A139 Q140T134-S136 PolarHBondContact O-N 2.9Å; S136-A139 PolarHBondContact O-N 2.86Å; S136-Q140 WeakPolarHBondContact O-CB 3.45Å; S136-Q140 PolarHBondContact O-N 3.11Å
137E98.7Very high98Very high83 Ų8350.1 Ų50.139%0.38832%0.322SS..Hα-helixtrans-65.4-40.5175.9-72.5165.6133.400111.7M133 T134 Q140 S141M133-E137 WeakPolarHBondContact CA-OE2 3.4Å; M133-E137 HydrophobicContact CB-CB 3.98Å; M133-E137 HydrophobicContact CG-CB 4.31Å; T134-E137 WeakPolarHBondContact CB-OE2 3.37Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.33Å; T134-E137 PolarHBondContact N-OE2 2.91Å; T134-E137 PolarHBondContact O-N 3.37Å; T134-E137 VanDerWaalsContact O-N 3.16Å; T134-E137 WeakPolarHBondContact OG1-CG 3.29Å; T134-E137 PolarHBondContact OG1-N 3.01Å; T134-E137 PolarHBondContact OG1-OE2 3.19Å; E137-Q140 PolarHBondContact O-N 2.89Å; E137-S141 WeakPolarHBondContact O-CB 3.36Å; E137-S141 PolarHBondContact O-N 3.19Å; E137-S141 PolarHBondContact O-OG 3.44Å
138V98.9Very high97.6Very high0 Ų057.1 Ų57.10%035%0.352CS..Hα-helixtrans-62.3-481741740000110.4V91 A124 M133 T134 I135 Q140 S141 L142 L154V91-V138 HydrophobicContact CG1-CG1 4.28Å; A124-V138 HydrophobicContact CB-CB 4.38Å; A124-V138 HydrophobicContact CB-CG1 4.15Å; A124-V138 HydrophobicContact CB-CG2 4.11Å; M133-V138 HydrophobicContact CB-CG2 3.71Å; M133-V138 HydrophobicContact CE-CG2 4.32Å; T134-V138 WeakPolarHBondContact O-CG2 3.18Å; T134-V138 PolarHBondContact O-N 3Å; I135-V138 PolarHBondContact O-N 3.21Å; V138-Q140 VanDerWaalsContact C-N 3.33Å; V138-Q140 PolarHBondContact O-N 3.26Å; V138-S141 PolarHBondContact O-N 2.93Å; V138-L142 HydrophobicContact CG1-CD1 3.67Å; V138-L142 HydrophobicContact CG1-CG 4.24Å; V138-L142 WeakPolarHBondContact O-CB 3.24Å; V138-L142 VanDerWaalsContact O-CG 3.29Å; V138-L142 WeakPolarHBondContact O-CG 3.38Å; V138-L142 PolarHBondContact O-N 3.45Å; V138-L154 HydrophobicContact CG1-CD1 4.38Å
139A98.8Very high97.2Very high29 Ų2963.1 Ų63.124%0.2438%0.384CS..Hα-helixtrans-59.8-43.4179.500000112.1I135 S136 G143 L144 L154I135-A139 WeakPolarHBondContact O-CB 3.19Å; I135-A139 PolarHBondContact O-N 2.86Å; S136-A139 PolarHBondContact O-N 2.86Å; A139-G143 PolarHBondContact O-N 3.37Å; A139-L144 HydrophobicContact CB-CD1 4.05Å; A139-L144 HydrophobicContact CB-CG 4.48Å; A139-L144 PolarHBondContact O-N 3.4Å; A139-L154 HydrophobicContact CB-CD2 3.77Å
140Q98.7Very high97Very high156 Ų15661.6 Ų61.673%0.72937%0.374SS*.Hα-helixtrans-67.5-47.4177-177.2179.1-1.600111.6S136 E137 V138 L142 G143S136-Q140 WeakPolarHBondContact O-CB 3.45Å; S136-Q140 PolarHBondContact O-N 3.11Å; E137-Q140 PolarHBondContact O-N 2.89Å; V138-Q140 VanDerWaalsContact C-N 3.33Å; V138-Q140 PolarHBondContact O-N 3.26Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 2.91Å; Q140-G143 WeakPolarHBondContact O-CA 3.3Å; Q140-G143 PolarHBondContact O-N 2.84Å
141S98.7Very high96.9Very high44 Ų4460.9 Ų60.931%0.30835%0.354SS..Hα-helixtrans-65.1-38.3-176.8-610000112K103 E137 V138 G143K103-S141 WeakPolarHBondContact CD-O 3.38Å; E137-S141 WeakPolarHBondContact O-CB 3.36Å; E137-S141 PolarHBondContact O-N 3.19Å; E137-S141 PolarHBondContact O-OG 3.44Å; V138-S141 PolarHBondContact O-N 2.93Å; S141-G143 VanDerWaalsContact C-N 3.28Å
142L98.7Very high97Very high0 Ų062.1 Ų62.10%034%0.344CS..Hα-helixtrans-74.1-20.6171.7-63.9175.2000112.1V91 V99 K103 L106 F107 I122 V138 Q140 L144V91-L142 HydrophobicContact CG2-CD1 3.75Å; V91-L142 HydrophobicContact CG2-CD2 4.14Å; V99-L142 HydrophobicContact CG2-CD2 4.24Å; K103-L142 HydrophobicContact CB-CD2 4.29Å; K103-L142 WeakPolarHBondContact CD-O 3.42Å; K103-L142 WeakPolarHBondContact CE-O 3.49Å; K103-L142 VanDerWaalsContact CG-O 3.3Å; K103-L142 WeakPolarHBondContact CG-O 3.4Å; L106-L142 HydrophobicContact CD2-CB 4.39Å; L106-L142 HydrophobicContact CD2-CD1 4.41Å; F107-L142 WeakPolarHBondContact CE2-O 3.33Å; I122-L142 HydrophobicContact CG2-CD1 3.99Å; V138-L142 HydrophobicContact CG1-CD1 3.67Å; V138-L142 HydrophobicContact CG1-CG 4.24Å; V138-L142 WeakPolarHBondContact O-CB 3.24Å; V138-L142 VanDerWaalsContact O-CG 3.29Å; V138-L142 WeakPolarHBondContact O-CG 3.38Å; V138-L142 PolarHBondContact O-N 3.45Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 2.91Å; L142-L144 HydrophobicContact CB-CD2 3.72Å; L142-L144 HydrophobicContact CB-CG 3.97Å; L142-L144 HydrophobicContact CD1-CD2 4.05Å; L142-L144 HydrophobicContact CD1-CG 4.45Å
143G98.2Very high97Very high14 Ų1465 Ų6514%0.14436%0.356CS..THydrogen-bonded Turntrans7136.8-176.500000112.8F107 A139 Q140 S141 A145 A146F107-G143 WeakPolarHBondContact CZ-O 3.32Å; A139-G143 PolarHBondContact O-N 3.37Å; Q140-G143 WeakPolarHBondContact O-CA 3.3Å; Q140-G143 PolarHBondContact O-N 2.84Å; S141-G143 VanDerWaalsContact C-N 3.28Å; G143-A145 PolarHBondContact O-N 2.95Å; G143-A145 VanDerWaalsContact O-N 3.08Å; G143-A146 WeakPolarHBondContact O-CB 3.23Å; G143-A146 PolarHBondContact O-N 3.06Å
144L98.5Very high97Very high5 Ų565.7 Ų65.73%0.02636%0.359CS..G310 helixtrans-59-25.2-175-59.9-174.4000113.4L106 I122 A139 L142 A146 I147 Y152 L154L106-L144 HydrophobicContact CD2-CD2 3.92Å; I122-L144 HydrophobicContact CD1-CD1 4.37Å; I122-L144 HydrophobicContact CD1-CD2 4.34Å; I122-L144 HydrophobicContact CG1-CD2 4.41Å; A139-L144 HydrophobicContact CB-CD1 4.05Å; A139-L144 HydrophobicContact CB-CG 4.48Å; A139-L144 PolarHBondContact O-N 3.4Å; L142-L144 HydrophobicContact CB-CD2 3.72Å; L142-L144 HydrophobicContact CB-CG 3.97Å; L142-L144 HydrophobicContact CD1-CD2 4.05Å; L142-L144 HydrophobicContact CD1-CG 4.45Å; L144-A146 PolarHBondContact O-N 2.82Å; L144-A146 VanDerWaalsContact O-N 3.12Å; L144-I147 HydrophobicContact CD2-CD1 3.72Å; L144-I147 WeakPolarHBondContact O-CB 3.37Å; L144-I147 PolarHBondContact O-N 3.48Å; L144-Y152 HydrophobicContact CB-CE2 4.08Å; L144-Y152 HydrophobicContact CD1-CE2 4.2Å; L144-Y152 PolarHBondContact O-OH 3.33Å; L144-L154 HydrophobicContact CD1-CB 4.23Å; L144-L154 HydrophobicContact CD1-CD2 3.86Å; L144-L154 HydrophobicContact CD1-CG 4.47Å
145A96.7Very high97Very high96 Ų9663.7 Ų63.779%0.79334%0.344SS*.G310 helixtrans-59-21.3173.500000113.7G143G143-A145 PolarHBondContact O-N 2.95Å; G143-A145 VanDerWaalsContact O-N 3.08Å
146A97.1Very high97.1Very high61 Ų6165.4 Ų65.450%0.50435%0.35SS..G310 helixtrans-80.4-16.5175.500000113.3F107 G143 L144 K148F107-A146 HydrophobicContact CE1-CB 3.95Å; F107-A146 HydrophobicContact CZ-CB 3.99Å; G143-A146 WeakPolarHBondContact O-CB 3.23Å; G143-A146 PolarHBondContact O-N 3.06Å; L144-A146 PolarHBondContact O-N 2.82Å; L144-A146 VanDerWaalsContact O-N 3.12Å; A146-K148 PolarHBondContact O-N 2.91Å
147I96.9Very high97.1Very high21 Ų2161.3 Ų61.311%0.10832%0.321CS..  trans-71.2106.6178-58.6177.2000108.4F107 L110 L120 L144 R150 Y152F107-I147 HydrophobicContact CE1-CG1 4.22Å; F107-I147 HydrophobicContact CZ-CG1 3.81Å; L110-I147 HydrophobicContact CD1-CD1 3.82Å; L110-I147 HydrophobicContact CD1-CG1 4.16Å; L120-I147 HydrophobicContact CD2-CD1 3.92Å; L144-I147 HydrophobicContact CD2-CD1 3.72Å; L144-I147 WeakPolarHBondContact O-CB 3.37Å; L144-I147 PolarHBondContact O-N 3.48Å; I147-R150 HydrophobicContact CG2-CB 4.24Å; I147-Y152 HydrophobicContact CB-CD1 4.08Å; I147-Y152 HydrophobicContact CB-CE1 3.78Å; I147-Y152 HydrophobicContact CG2-CD1 3.65Å; I147-Y152 HydrophobicContact CG2-CE1 3.86Å
148K89.2Confident97.1Very high162 Ų16257.3 Ų57.370%0.70430%0.302SS*.  trans-110.3156.8174.6-62.4178-175.8178.60109.3A146 R150A146-K148 PolarHBondContact O-N 2.91Å; K148-R150 VanDerWaalsContact C-N 3.26Å; K148-R150 PolarHBondContact O-N 3.39Å
149N88.6Confident97Very high172 Ų17257.5 Ų57.592%0.9230%0.304SS*.SBendtrans6519171.6-46-45.2000116.2
150R94Very high96.9Very high36 Ų3661.2 Ų61.214%0.13632%0.319CS..SBendtrans-138.3138.6175.2-175.7-177.6-62.1-94.26.8110.1L115 A118 L120 I147 K148 Y152L115-R150 PolarHBondContact O-NH1 3.32Å; L115-R150 PolarHBondContact O-NH2 2.94Å; A118-R150 PolarHBondContact O-NH1 3.19Å; L120-R150 HydrophobicContact CB-CG 4.47Å; I147-R150 HydrophobicContact CG2-CB 4.24Å; K148-R150 VanDerWaalsContact C-N 3.26Å; K148-R150 PolarHBondContact O-N 3.39Å; R150-Y152 PolarHBondContact O-N 2.78Å
151R95.8Very high96.8Very high102 Ų10259.1 Ų59.139%0.38531%0.307SS..  trans-74.7119.8168.8-67.6-163-64.1168.76.5108.9L120 T175 T178L120-R151 PolarHBondContact N-O 3.36Å; L120-R151 VanDerWaalsContact N-O 3.09Å; R151-T175 HydrophobicContact CB-CG2 4.47Å; R151-T175 PolarHBondContact NH2-O 2.83Å; R151-T178 PolarHBondContact NH1-OG1 2.74Å; R151-T178 VanDerWaalsContact NH1-OG1 3.16Å
152Y98.2Very high96.7Very high72 Ų7258.1 Ų58.128%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-139.4159.2174.679.2-91000112.1L120 I122 L144 I147 R150L120-Y152 CarbonylContact O-C 3.46Å; L120-Y152 WeakPolarHBondContact O-CA 3.14Å; L120-Y152 VanDerWaalsContact O-CB 3.31Å; L120-Y152 WeakPolarHBondContact O-CB 3.1Å; I122-Y152 HydrophobicContact CD1-CD2 3.52Å; I122-Y152 HydrophobicContact CD1-CE2 4.35Å; I122-Y152 HydrophobicContact CD1-CG 4.17Å; L144-Y152 HydrophobicContact CB-CE2 4.08Å; L144-Y152 HydrophobicContact CD1-CE2 4.2Å; L144-Y152 PolarHBondContact O-OH 3.33Å; I147-Y152 HydrophobicContact CB-CD1 4.08Å; I147-Y152 HydrophobicContact CB-CE1 3.78Å; I147-Y152 HydrophobicContact CG2-CD1 3.65Å; I147-Y152 HydrophobicContact CG2-CE1 3.86Å; R150-Y152 PolarHBondContact O-N 2.78Å
153Q98.5Very high96.6Very high85 Ų8562.5 Ų62.540%0.39733%0.325SS..EExtended strand (participates in β ladder)trans-145.8142172.5-1756624.400110.6L120 I122 F155 W171L120-Q153 PolarHBondContact O-N 3.24Å; L120-Q153 VanDerWaalsContact O-N 3.11Å; I122-Q153 PolarHBondContact N-O 3.48Å; Q153-F155 HydrophobicContact CB-CD2 4.46Å; Q153-F155 HydrophobicContact CB-CE2 3.63Å; Q153-F155 HydrophobicContact CB-CZ 4.04Å; Q153-F155 HydrophobicContact CG-CD2 4.07Å; Q153-F155 HydrophobicContact CG-CE1 4.13Å; Q153-F155 HydrophobicContact CG-CE2 3.3Å; Q153-F155 HydrophobicContact CG-CZ 3.32Å; Q153-W171 HydrophobicContact CB-CD2 3.7Å; Q153-W171 VanDerWaalsContact CB-CE2 3.43Å; Q153-W171 HydrophobicContact CB-CE3 3.88Å; Q153-W171 HydrophobicContact CB-CG 4.44Å; Q153-W171 HydrophobicContact CB-CH2 3.63Å; Q153-W171 HydrophobicContact CB-CZ2 3.42Å; Q153-W171 VanDerWaalsContact CB-CZ2 3.42Å; Q153-W171 HydrophobicContact CB-CZ3 3.85Å; Q153-W171 HydrophobicContact CG-CD2 4.19Å; Q153-W171 HydrophobicContact CG-CG 4.43Å; Q153-W171 HydrophobicContact CG-CZ2 4.44Å
154L98.8Very high96.6Very high21 Ų2162.4 Ų62.411%0.1132%0.323CS..EExtended strand (participates in β ladder)trans-101.9132.5175.9175.162000110.1I122 A124 I135 V138 A139 L144I122-L154 HydrophobicContact CB-CD1 3.78Å; I122-L154 HydrophobicContact CG2-CD1 3.59Å; I122-L154 WeakPolarHBondContact O-CA 3.41Å; A124-L154 HydrophobicContact CB-CD1 4.07Å; I135-L154 HydrophobicContact CD1-CG 4.48Å; I135-L154 HydrophobicContact CG2-CD2 3.56Å; I135-L154 HydrophobicContact CG2-CG 4.1Å; V138-L154 HydrophobicContact CG1-CD1 4.38Å; A139-L154 HydrophobicContact CB-CD2 3.77Å; L144-L154 HydrophobicContact CD1-CB 4.23Å; L144-L154 HydrophobicContact CD1-CD2 3.86Å; L144-L154 HydrophobicContact CD1-CG 4.47Å
155F98.9Very high96.6Very high28 Ų2862.4 Ų62.412%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-123.7143.6177.6-64.4-90.3000111.5V121 I122 L123 A124 Q153 T157 E167 A168 W171V121-F155 HydrophobicContact CG1-CD2 3.97Å; V121-F155 HydrophobicContact CG1-CE2 4.23Å; I122-F155 PolarHBondContact O-N 3.33Å; L123-F155 HydrophobicContact CD2-CB 3.96Å; L123-F155 HydrophobicContact CD2-CD2 4.3Å; A124-F155 PolarHBondContact N-O 3.23Å; Q153-F155 HydrophobicContact CB-CD2 4.46Å; Q153-F155 HydrophobicContact CB-CE2 3.63Å; Q153-F155 HydrophobicContact CB-CZ 4.04Å; Q153-F155 HydrophobicContact CG-CD2 4.07Å; Q153-F155 HydrophobicContact CG-CE1 4.13Å; Q153-F155 HydrophobicContact CG-CE2 3.3Å; Q153-F155 HydrophobicContact CG-CZ 3.32Å; F155-T157 HydrophobicContact CB-CG2 4.16Å; F155-E167 HydrophobicContact CD1-CB 4.45Å; F155-E167 HydrophobicContact CE1-CB 4.38Å; F155-A168 HydrophobicContact CB-CB 4.24Å; F155-A168 HydrophobicContact CD1-CB 4.14Å; F155-A168 HydrophobicContact CD2-CB 3.72Å; F155-A168 HydrophobicContact CE1-CB 4.47Å; F155-A168 HydrophobicContact CE2-CB 4.06Å; F155-A168 HydrophobicContact CG-CB 3.76Å; F155-A168 HydrophobicContact CZ-CB 4.44Å; F155-W171 HydrophobicContact CE1-CB 4.3Å; F155-W171 HydrophobicContact CE2-CB 4.25Å; F155-W171 HydrophobicContact CE2-CD2 4.27Å; F155-W171 HydrophobicContact CE2-CE3 4.17Å; F155-W171 HydrophobicContact CE2-CG 4.3Å; F155-W171 HydrophobicContact CZ-CB 3.47Å; F155-W171 VanDerWaalsContact CZ-CB 3.47Å; F155-W171 HydrophobicContact CZ-CD2 4.11Å; F155-W171 HydrophobicContact CZ-CE3 4.43Å; F155-W171 AromaticContact CZ-CG 3.68Å; F155-W171 HydrophobicContact CZ-CG 3.68Å
156K98.6Very high96.6Very high99 Ų9964 Ų6443%0.4331%0.314SS..EExtended strand (participates in β ladder)trans-82.8128.3166.5151.9158.3-175.1134.60107.5Q127 I135 G164Q127-K156 HydrophobicContact CB-CD 3.92Å; Q127-K156 HydrophobicContact CB-CG 3.65Å; Q127-K156 HydrophobicContact CG-CB 4.16Å; Q127-K156 HydrophobicContact CG-CD 4.09Å; Q127-K156 HydrophobicContact CG-CG 3.69Å; Q127-K156 PolarHBondContact O-NZ 3.31Å; I135-K156 HydrophobicContact CD1-CB 3.47Å; I135-K156 VanDerWaalsContact CD1-CB 3.47Å; I135-K156 VanDerWaalsContact CD1-N 3.33Å; I135-K156 HydrophobicContact CG1-CB 3.84Å; K156-G164 WeakPolarHBondContact O-CA 3.5Å
157T98.8Very high96.6Very high1 Ų166.3 Ų66.31%0.00632%0.315CS..  trans-139150.9-176.758.30000112.6L123 A124 N125 K126 Q127 F155 E163 L165L123-T157 HydrophobicContact CB-CG2 4.24Å; L123-T157 HydrophobicContact CD2-CG2 3.84Å; L123-T157 HydrophobicContact CG-CG2 4.4Å; A124-T157 PolarHBondContact O-N 2.92Å; A124-T157 PolarHBondContact O-OG1 3.45Å; A124-T157 VanDerWaalsContact O-OG1 3.1Å; N125-T157 CarbonylContact C-O 3.59Å; N125-T157 WeakPolarHBondContact CA-O 3.33Å; N125-T157 WeakPolarHBondContact CA-OG1 3.34Å; K126-T157 PolarHBondContact N-O 3.22Å; Q127-T157 VanDerWaalsContact CB-O 3.28Å; Q127-T157 WeakPolarHBondContact CB-O 3.28Å; Q127-T157 WeakPolarHBondContact CG-O 3.4Å; Q127-T157 PolarHBondContact N-O 2.64Å; Q127-T157 VanDerWaalsContact N-O 3.11Å; F155-T157 HydrophobicContact CB-CG2 4.16Å; T157-E163 VanDerWaalsContact CA-O 3.23Å; T157-E163 WeakPolarHBondContact CA-O 3.45Å; T157-L165 HydrophobicContact CG2-CD2 3.89Å
158S98.5Very high96.7Very high0 Ų065.5 Ų65.50%031%0.311CS..BIsolated β-bridgetrans-126.9108.4162.3175.10000108D128 L160 K161 G162 E163D128-S158 WeakPolarHBondContact OD1-CB 3.48Å; D128-S158 PolarHBondContact OD1-OG 2.84Å; S158-L160 PolarHBondContact O-N 3.35Å; S158-L160 PolarHBondContact OG-N 3.21Å; S158-K161 PolarHBondContact O-N 2.93Å; S158-K161 PolarHBondContact OG-N 2.79Å; S158-K161 VanDerWaalsContact OG-N 3.08Å; S158-G162 CarbonylContact O-C 3.6Å; S158-G162 VanDerWaalsContact O-CA 3.3Å; S158-G162 WeakPolarHBondContact O-CA 3.03Å; S158-G162 PolarHBondContact O-N 2.68Å; S158-E163 PolarHBondContact N-O 3.15Å; S158-E163 PolarHBondContact O-N 3.01Å
159A97.8Very high97.1Very high4 Ų458 Ų583%0.03328%0.278CS..THydrogen-bonded Turntrans-59.2-33.217300000112.1T31 I32 N125T31-A159 HydrophobicContact CG2-CB 3.81Å; I32-A159 HydrophobicContact CD1-CB 4.41Å; I32-A159 HydrophobicContact CG1-CB 3.48Å; I32-A159 VanDerWaalsContact CG1-CB 3.48Å; N125-A159 PolarHBondContact OD1-N 3.4Å
160L96Very high97.5Very high107 Ų10751.7 Ų51.756%0.5625%0.245SC*.THydrogen-bonded Turntrans-68.7-43.6179.7-175.167.6000111.6V41 S158V41-L160 HydrophobicContact CG1-CD1 4.17Å; V41-L160 HydrophobicContact CG2-CD1 4.22Å; V41-L160 WeakPolarHBondContact CG2-O 3.49Å; S158-L160 PolarHBondContact O-N 3.35Å; S158-L160 PolarHBondContact OG-N 3.21Å
161K96.2Very high97.6Very high111 Ų11153 Ų5348%0.48325%0.249SC..THydrogen-bonded Turntrans-90.3-16.3179.8-62-173.1176.8176.20113.8R35 D128 S158 E163R35-K161 PolarHBondContact NH2-O 2.88Å; D128-K161 HydrophobicContact CB-CD 3.91Å; D128-K161 HydrophobicContact CB-CG 4.31Å; S158-K161 PolarHBondContact O-N 2.93Å; S158-K161 PolarHBondContact OG-N 2.79Å; S158-K161 VanDerWaalsContact OG-N 3.08Å; K161-E163 VanDerWaalsContact C-N 3.27Å; K161-E163 HydrophobicContact CB-CG 3.85Å; K161-E163 VanDerWaalsContact CD-OE1 3.23Å; K161-E163 WeakPolarHBondContact CD-OE1 3.15Å
162G96Very high97.7Very high23 Ų2348.1 Ų48.124%0.23723%0.231CC..THydrogen-bonded Turntrans79.23.1-172.200000114.8S158S158-G162 CarbonylContact O-C 3.6Å; S158-G162 VanDerWaalsContact O-CA 3.3Å; S158-G162 WeakPolarHBondContact O-CA 3.03Å; S158-G162 PolarHBondContact O-N 2.68Å
163E97.9Very high97.4Very high93 Ų9344.8 Ų44.844%0.43522%0.219SC..BIsolated β-bridgetrans-67.3138.9-176.9-65.8170.8-176.400111.4T157 S158 K161 L165T157-E163 VanDerWaalsContact CA-O 3.23Å; T157-E163 WeakPolarHBondContact CA-O 3.45Å; S158-E163 PolarHBondContact N-O 3.15Å; S158-E163 PolarHBondContact O-N 3.01Å; K161-E163 VanDerWaalsContact C-N 3.27Å; K161-E163 HydrophobicContact CB-CG 3.85Å; K161-E163 VanDerWaalsContact CD-OE1 3.23Å; K161-E163 WeakPolarHBondContact CD-OE1 3.15Å; E163-L165 PolarHBondContact O-N 3.29Å
164G98.2Very high97.2Very high11 Ų1145.3 Ų45.311%0.11322%0.224CC..THydrogen-bonded Turntrans76.9-9.2174.100000115.6K156 E167 A168K156-G164 WeakPolarHBondContact O-CA 3.5Å; G164-E167 WeakPolarHBondContact CA-OE2 3.34Å; G164-E167 PolarHBondContact N-OE2 3.28Å; G164-A168 WeakPolarHBondContact O-CB 3.44Å; G164-A168 PolarHBondContact O-N 2.91Å
165L98Very high97Very high5 Ų544.8 Ų44.83%0.02622%0.222CC..Hα-helixtrans-73.7-41.9-177-64.4-174.7000111.8I32 R35 L36 L123 T157 E163 A168 M169I32-L165 HydrophobicContact CG1-CD2 4.19Å; I32-L165 HydrophobicContact CG2-CD1 4.45Å; I32-L165 HydrophobicContact CG2-CD2 3.87Å; R35-L165 HydrophobicContact CB-CD1 3.91Å; R35-L165 HydrophobicContact CG-CD1 3.56Å; L36-L165 HydrophobicContact CD2-CB 3.94Å; L36-L165 HydrophobicContact CD2-CD1 4.5Å; L123-L165 HydrophobicContact CD1-CD2 4.22Å; T157-L165 HydrophobicContact CG2-CD2 3.89Å; E163-L165 PolarHBondContact O-N 3.29Å; L165-A168 PolarHBondContact O-N 2.74Å; L165-M169 WeakPolarHBondContact O-CG 3.22Å; L165-M169 PolarHBondContact O-N 3.06Å
166E95.9Very high96.6Very high129 Ų12943.5 Ų43.560%0.60322%0.216SC*.Hα-helixtrans-64.6-43.5179.3-171.5174.5-179.600110.7A168 M169 D170E166-A168 VanDerWaalsContact C-N 3.33Å; E166-A168 PolarHBondContact O-N 3.41Å; E166-M169 PolarHBondContact O-N 2.8Å; E166-D170 WeakPolarHBondContact O-CB 3.42Å; E166-D170 PolarHBondContact O-N 2.87Å
167E97.9Very high96Very high111 Ų11142.3 Ų42.352%0.51922%0.219SC..Hα-helixtrans-62.7-40.4177.7-60.69115100111.8F155 G164 D170 W171F155-E167 HydrophobicContact CD1-CB 4.45Å; F155-E167 HydrophobicContact CE1-CB 4.38Å; G164-E167 WeakPolarHBondContact CA-OE2 3.34Å; G164-E167 PolarHBondContact N-OE2 3.28Å; E167-D170 PolarHBondContact O-N 3.38Å; E167-W171 WeakPolarHBondContact O-CB 3.33Å; E167-W171 PolarHBondContact O-N 3.3Å
168A98.6Very high95.2Very high3 Ų346.4 Ų46.43%0.02525%0.245CC..Hα-helixtrans-64.2-44.4175.200000111.8V121 L123 F155 G164 L165 E166 W171 L172V121-A168 HydrophobicContact CG1-CB 4.24Å; L123-A168 HydrophobicContact CD2-CB 3.72Å; F155-A168 HydrophobicContact CB-CB 4.24Å; F155-A168 HydrophobicContact CD1-CB 4.14Å; F155-A168 HydrophobicContact CD2-CB 3.72Å; F155-A168 HydrophobicContact CE1-CB 4.47Å; F155-A168 HydrophobicContact CE2-CB 4.06Å; F155-A168 HydrophobicContact CG-CB 3.76Å; F155-A168 HydrophobicContact CZ-CB 4.44Å; G164-A168 WeakPolarHBondContact O-CB 3.44Å; G164-A168 PolarHBondContact O-N 2.91Å; L165-A168 PolarHBondContact O-N 2.74Å; E166-A168 VanDerWaalsContact C-N 3.33Å; E166-A168 PolarHBondContact O-N 3.41Å; A168-W171 PolarHBondContact O-N 3.4Å; A168-L172 VanDerWaalsContact O-CB 3.32Å; A168-L172 WeakPolarHBondContact O-CB 3.49Å; A168-L172 PolarHBondContact O-N 2.85Å
169M97.4Very high93.9Very high4 Ų449.7 Ų49.72%0.0226%0.26CS..Hα-helixtrans-69.9-33.5178.4-67.6-51.8-63.500112.6I19 L36 F62 I88 L165 E166 L172 S173I19-M169 HydrophobicContact CD1-CE 4.44Å; L36-M169 HydrophobicContact CD1-CG 4.1Å; L36-M169 HydrophobicContact CD1-SD 3.93Å; L36-M169 HydrophobicContact CD2-CG 3.62Å; F62-M169 HydrophobicContact CD2-CE 3.43Å; F62-M169 VanDerWaalsContact CD2-CE 3.43Å; F62-M169 HydrophobicContact CE2-CE 3.34Å; F62-M169 HydrophobicContact CG-CE 4.29Å; F62-M169 HydrophobicContact CZ-CE 4.18Å; I88-M169 HydrophobicContact CD1-SD 4.03Å; L165-M169 WeakPolarHBondContact O-CG 3.22Å; L165-M169 PolarHBondContact O-N 3.06Å; E166-M169 PolarHBondContact O-N 2.8Å; M169-L172 HydrophobicContact CE-CD2 4.27Å; M169-L172 PolarHBondContact O-N 3.11Å; M169-L172 HydrophobicContact SD-CD2 4.32Å; M169-S173 VanDerWaalsContact O-CB 3.26Å; M169-S173 WeakPolarHBondContact O-CB 3.4Å; M169-S173 PolarHBondContact O-N 2.94Å; M169-S173 PolarHBondContact O-OG 3.08Å
170D96.7Very high91.7Very high40 Ų4062.8 Ų62.821%0.21432%0.316CS..Hα-helixtrans-62.8-50.7172.5-93.34.3000112H57 K58 E166 E167 L172 S173 N174H57-D170 IonicContact CD2-OD1 3.95Å; H57-D170 IonicContact CE1-OD1 2.79Å; H57-D170 IonicContact NE2-OD1 2.79Å; H57-D170 PolarHBondContact NE2-OD1 2.72Å; K58-D170 WeakPolarHBondContact CE-OD1 3.35Å; K58-D170 IonicContact NZ-OD1 2.64Å; K58-D170 PolarHBondContact NZ-OD1 2.91Å; K58-D170 IonicContact NZ-OD2 2.74Å; K58-D170 PolarHBondContact NZ-OD2 3.1Å; E166-D170 WeakPolarHBondContact O-CB 3.42Å; E166-D170 PolarHBondContact O-N 2.87Å; E167-D170 PolarHBondContact O-N 3.38Å; D170-L172 VanDerWaalsContact C-N 3.31Å; D170-L172 PolarHBondContact O-N 3.36Å; D170-S173 PolarHBondContact O-N 3.24Å; D170-N174 WeakPolarHBondContact O-CB 3.46Å; D170-N174 VanDerWaalsContact O-CG 3.22Å; D170-N174 PolarHBondContact O-N 3.32Å; D170-N174 PolarHBondContact O-ND2 2.8Å
171W97.4Very high91.5Very high63 Ų6360.6 Ų60.624%0.23930%0.304CS..Hα-helixtrans-60.5-43.7176.1-17990.5000111.2V119 V121 Q153 F155 E167 A168 N174 T175V119-W171 HydrophobicContact CG1-CH2 3.77Å; V119-W171 HydrophobicContact CG1-CZ3 3.6Å; V121-W171 HydrophobicContact CG2-CE3 3.77Å; V121-W171 HydrophobicContact CG2-CZ3 3.63Å; Q153-W171 HydrophobicContact CB-CD2 3.7Å; Q153-W171 VanDerWaalsContact CB-CE2 3.43Å; Q153-W171 HydrophobicContact CB-CE3 3.88Å; Q153-W171 HydrophobicContact CB-CG 4.44Å; Q153-W171 HydrophobicContact CB-CH2 3.63Å; Q153-W171 HydrophobicContact CB-CZ2 3.42Å; Q153-W171 VanDerWaalsContact CB-CZ2 3.42Å; Q153-W171 HydrophobicContact CB-CZ3 3.85Å; Q153-W171 HydrophobicContact CG-CD2 4.19Å; Q153-W171 HydrophobicContact CG-CG 4.43Å; Q153-W171 HydrophobicContact CG-CZ2 4.44Å; F155-W171 HydrophobicContact CE1-CB 4.3Å; F155-W171 HydrophobicContact CE2-CB 4.25Å; F155-W171 HydrophobicContact CE2-CD2 4.27Å; F155-W171 HydrophobicContact CE2-CE3 4.17Å; F155-W171 HydrophobicContact CE2-CG 4.3Å; F155-W171 HydrophobicContact CZ-CB 3.47Å; F155-W171 VanDerWaalsContact CZ-CB 3.47Å; F155-W171 HydrophobicContact CZ-CD2 4.11Å; F155-W171 HydrophobicContact CZ-CE3 4.43Å; F155-W171 AromaticContact CZ-CG 3.68Å; F155-W171 HydrophobicContact CZ-CG 3.68Å; E167-W171 WeakPolarHBondContact O-CB 3.33Å; E167-W171 PolarHBondContact O-N 3.3Å; A168-W171 PolarHBondContact O-N 3.4Å; W171-N174 PolarHBondContact O-N 3.49Å; W171-T175 HydrophobicContact CH2-CG2 4.14Å; W171-T175 HydrophobicContact CZ2-CG2 4.32Å; W171-T175 HydrophobicContact CZ3-CG2 4.49Å; W171-T175 WeakPolarHBondContact O-CB 3.48Å; W171-T175 PolarHBondContact O-N 3.29Å; W171-T175 PolarHBondContact O-OG1 2.78Å
172L96.7Very high91.3Very high0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-61.4-47.5178.6179.455.1000111.7I19 A86 I88 V119 V121 A168 M169 D170 N174 T175 L176I19-L172 HydrophobicContact CD1-CD2 3.54Å; A86-L172 HydrophobicContact CB-CD1 3.57Å; A86-L172 HydrophobicContact CB-CD2 4.36Å; I88-L172 HydrophobicContact CD1-CD2 4.34Å; I88-L172 HydrophobicContact CG1-CD2 4.39Å; V119-L172 HydrophobicContact CB-CD1 4.17Å; V119-L172 HydrophobicContact CG1-CD1 3.88Å; V121-L172 HydrophobicContact CG2-CB 4.03Å; V121-L172 HydrophobicContact CG2-CD1 4.03Å; V121-L172 HydrophobicContact CG2-CD2 4.29Å; V121-L172 HydrophobicContact CG2-CG 4.34Å; A168-L172 VanDerWaalsContact O-CB 3.32Å; A168-L172 WeakPolarHBondContact O-CB 3.49Å; A168-L172 PolarHBondContact O-N 2.85Å; M169-L172 HydrophobicContact CE-CD2 4.27Å; M169-L172 PolarHBondContact O-N 3.11Å; M169-L172 HydrophobicContact SD-CD2 4.32Å; D170-L172 VanDerWaalsContact C-N 3.31Å; D170-L172 PolarHBondContact O-N 3.36Å; L172-N174 PolarHBondContact O-N 2.71Å; L172-T175 PolarHBondContact O-N 3.35Å; L172-L176 HydrophobicContact CD1-CD1 3.79Å; L172-L176 HydrophobicContact CD1-CG 3.94Å; L172-L176 HydrophobicContact CG-CD1 3.95Å; L172-L176 HydrophobicContact CG-CG 4.49Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 3.14Å
173S93.4Very high91Very high3 Ų359.8 Ų59.82%0.02130%0.298CS..Hα-helixtrans-60.4-47.5179.9-61.50000111.5H57 M169 D170 T175 L176 C177H57-S173 PolarHBondContact CD2-OG 3.24Å; M169-S173 VanDerWaalsContact O-CB 3.26Å; M169-S173 WeakPolarHBondContact O-CB 3.4Å; M169-S173 PolarHBondContact O-N 2.94Å; M169-S173 PolarHBondContact O-OG 3.08Å; D170-S173 PolarHBondContact O-N 3.24Å; S173-T175 VanDerWaalsContact C-N 3.31Å; S173-T175 PolarHBondContact O-N 3.16Å; S173-L176 PolarHBondContact O-N 3.22Å; S173-C177 WeakPolarHBondContact O-CB 3.23Å; S173-C177 PolarHBondContact O-N 3.27Å; S173-C177 PolarHBondContact O-SG 2.87Å
174N93.3Very high90.6Very high95 Ų9557.9 Ų57.951%0.50829%0.29SS..Hα-helixtrans-63.5-39.1176.9-69.1-26.3000111.7D170 W171 L172 C177 T178D170-N174 WeakPolarHBondContact O-CB 3.46Å; D170-N174 VanDerWaalsContact O-CG 3.22Å; D170-N174 PolarHBondContact O-N 3.32Å; D170-N174 PolarHBondContact O-ND2 2.8Å; W171-N174 PolarHBondContact O-N 3.49Å; L172-N174 PolarHBondContact O-N 2.71Å; N174-C177 PolarHBondContact O-N 2.73Å; N174-T178 VanDerWaalsContact O-CG2 3.3Å; N174-T178 WeakPolarHBondContact O-CG2 3.24Å; N174-T178 PolarHBondContact O-N 3.18Å; N174-T178 VanDerWaalsContact O-N 3.13Å; N174-T178 PolarHBondContact O-OG1 3.21Å
175T94Very high90.1Very high11 Ų1160.8 Ų60.87%0.06730%0.301CS..Hα-helixtrans-66.7-44179.1-59.70000110.9V119 R151 W171 L172 S173 T178 Q179V119-T175 HydrophobicContact CB-CG2 4.38Å; V119-T175 HydrophobicContact CG1-CG2 3.63Å; V119-T175 HydrophobicContact CG2-CG2 3.77Å; R151-T175 HydrophobicContact CB-CG2 4.47Å; R151-T175 PolarHBondContact NH2-O 2.83Å; W171-T175 HydrophobicContact CH2-CG2 4.14Å; W171-T175 HydrophobicContact CZ2-CG2 4.32Å; W171-T175 HydrophobicContact CZ3-CG2 4.49Å; W171-T175 WeakPolarHBondContact O-CB 3.48Å; W171-T175 PolarHBondContact O-N 3.29Å; W171-T175 PolarHBondContact O-OG1 2.78Å; L172-T175 PolarHBondContact O-N 3.35Å; S173-T175 VanDerWaalsContact C-N 3.31Å; S173-T175 PolarHBondContact O-N 3.16Å; T175-T178 PolarHBondContact O-N 2.61Å; T175-T178 PolarHBondContact O-OG1 3.03Å; T175-Q179 PolarHBondContact O-N 3.43Å; T175-Q179 VanDerWaalsContact O-N 3.12Å
176L91.5Very high89.6Confident0 Ų064.5 Ų64.50%032%0.319CS..Hα-helixtrans-69-32.8177.7-72.8173.2000113.4R17 F62 D85 A86 V119 L172 S173 T178R17-L176 HydrophobicContact CB-CD1 4.39Å; R17-L176 HydrophobicContact CG-CD1 4.31Å; R17-L176 PolarHBondContact NH2-O 3.43Å; F62-L176 HydrophobicContact CE1-CD1 3.74Å; F62-L176 HydrophobicContact CZ-CD1 4.41Å; D85-L176 HydrophobicContact CB-CD2 4.06Å; A86-L176 HydrophobicContact CB-CD1 4.31Å; A86-L176 HydrophobicContact CB-CD2 4.36Å; V119-L176 HydrophobicContact CB-CD2 4.39Å; V119-L176 HydrophobicContact CG2-CD2 3.85Å; V119-L176 HydrophobicContact CG2-CG 4.49Å; L172-L176 HydrophobicContact CD1-CD1 3.79Å; L172-L176 HydrophobicContact CD1-CG 3.94Å; L172-L176 HydrophobicContact CG-CD1 3.95Å; L172-L176 HydrophobicContact CG-CG 4.49Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 3.14Å; S173-L176 PolarHBondContact O-N 3.22Å; L176-T178 VanDerWaalsContact C-N 3.29Å
177C86.6Confident89.1Confident74 Ų7459.9 Ų59.950%0.530%0.299SS..Hα-helixtrans-70.9-24.1173.4-73.30000112.9S173 N174S173-C177 WeakPolarHBondContact O-CB 3.23Å; S173-C177 PolarHBondContact O-N 3.27Å; S173-C177 PolarHBondContact O-SG 2.87Å; N174-C177 PolarHBondContact O-N 2.73Å
178T82Confident88.5Confident88 Ų8856 Ų5654%0.5428%0.282SS..Hα-helixtrans-97.1-6.3179.255.70000114.2R151 N174 T175 L176 K180R151-T178 PolarHBondContact NH1-OG1 2.74Å; R151-T178 VanDerWaalsContact NH1-OG1 3.16Å; N174-T178 VanDerWaalsContact O-CG2 3.3Å; N174-T178 WeakPolarHBondContact O-CG2 3.24Å; N174-T178 PolarHBondContact O-N 3.18Å; N174-T178 VanDerWaalsContact O-N 3.13Å; N174-T178 PolarHBondContact O-OG1 3.21Å; T175-T178 PolarHBondContact O-N 2.61Å; T175-T178 PolarHBondContact O-OG1 3.03Å; L176-T178 VanDerWaalsContact C-N 3.29Å; T178-K180 PolarHBondContact O-N 2.92Å
179Q70.6Confident87.6Confident69 Ų6960.4 Ų60.432%0.32230%0.303SS..  trans-67.1104.9165.2-73-166.9-48.300108.4G117 V119 T175G117-Q179 PolarHBondContact O-NE2 2.98Å; V119-Q179 HydrophobicContact CG2-CG 4.41Å; T175-Q179 PolarHBondContact O-N 3.43Å; T175-Q179 VanDerWaalsContact O-N 3.12Å
180K51.9Low86.7Confident278 Ų27865.5 Ų65.5100%1.20933%0.329SS*.  trans-76.40161.7-78.1-173.2176.3-178.10109.9T178T178-K180 PolarHBondContact O-N 2.92Å

Retrieved 180 of 180 residues in 52.6 ms (Link to these results)

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