A0A087XZR3_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3B5QD46), UniProt , Accession A0A087XZR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1M38.8Very low42.5Very low245 Ų245145.3 Ų145.3100%1.20786%0.858SS**  0134.50-89.4173.4160.200108.6
2A39.1Very low42.9Very low99 Ų99137.6 Ų137.682%0.81883%0.832SS**  trans60.1112.9169.200000117.4
3S39.5Very low43.5Very low99 Ų99136.7 Ų136.769%0.69283%0.831SS**  cis78.5120.544.3-159.90000115.3
4R43Very low43.7Very low245 Ų245138.5 Ų138.593%0.92583%0.834SS**  trans82.6133.3145.1-78.3166.6176.3-154.9-2.9120.9
5G33.9Very low44.4Very low74 Ų74135.9 Ų135.976%0.76383%0.833SS**  trans166.348.9156.900000115A7G5-A7 PolarHBondContact O-N 3.42Å
6G43.1Very low45.4Very low79 Ų79130.9 Ų130.981%0.81482%0.817SS**  trans-66124.9168.900000110.5
7A42.6Very low46.8Very low98 Ų98128.3 Ų128.381%0.8180%0.796SS**  trans-99.786.3169.500000108.9G5 R9G5-A7 PolarHBondContact O-N 3.42Å; A7-R9 PolarHBondContact O-N 3.33Å
8T45.8Very low48.9Very low138 Ų138125.3 Ų125.385%0.84777%0.77SS**  trans-67.3113.616226.20000108.4
9R49.4Very low51.1Low232 Ų232125.2 Ų125.288%0.87576%0.763SS**  trans-66.9129.2167.4-63.2179.5-179-172-0.7108A7 N11A7-R9 PolarHBondContact O-N 3.33Å; R9-N11 PolarHBondContact O-N 3.09Å; R9-N11 VanDerWaalsContact O-N 3.09Å
10P47Very low53.2Low124 Ų124119.2 Ų119.281%0.80573%0.726SS**  trans-72.1107.4169.528.9-28.8000107.5G12P10-G12 PolarHBondContact O-N 2.93Å
11N45Very low55.2Low165 Ų165116 Ų11688%0.88270%0.703SS**  trans-66.189.6160.1-113.37.9000106.4R9R9-N11 PolarHBondContact O-N 3.09Å; R9-N11 VanDerWaalsContact O-N 3.09Å
12G47.8Very low58Low53 Ų53105.1 Ų105.155%0.54665%0.649SS.*  trans-58.6139.4161.900000108.2P10 N14P10-G12 PolarHBondContact O-N 2.93Å; G12-N14 PolarHBondContact O-N 2.87Å
13P50.4Low60.8Low126 Ų126102.1 Ų102.182%0.81862%0.618SS**  trans-57.4120.7175.124.6-31.3000107.2A15P13-A15 PolarHBondContact O-N 3.03Å
14N46.6Very low63.6Low162 Ų16297.4 Ų97.487%0.86659%0.585SS**  trans-54.9106171.8-15516.4000105.6G12 G16G12-N14 PolarHBondContact O-N 2.87Å; N14-G16 PolarHBondContact O-N 3.3Å
15A54.2Low66.2Low100 Ų10085.7 Ų85.783%0.82654%0.541SS*.  trans-71.467.6176.500000107.6P13 N17P13-A15 PolarHBondContact O-N 3.03Å; A15-N17 PolarHBondContact O-N 2.71Å
16G60.2Low69.3Low56 Ų5682.2 Ų82.258%0.57750%0.504SS*.  trans-60.4125168.900000106.7N14 K18N14-G16 PolarHBondContact O-N 3.3Å; G16-K18 PolarHBondContact O-N 2.95Å
17N68.9Low72Confident86 Ų8678.4 Ų78.446%0.4647%0.465SS..  trans-52.1110.9178.8-162.11.6000108.8A15 I19 T68 T69A15-N17 PolarHBondContact O-N 2.71Å; N17-I19 PolarHBondContact O-N 3.03Å; N17-T68 WeakPolarHBondContact OD1-CA 3.48Å; N17-T68 PolarHBondContact OD1-N 3.48Å; N17-T69 PolarHBondContact ND2-OG1 3.3Å
18K85Confident74.6Confident75 Ų7573.8 Ų73.833%0.32643%0.427SS..EExtended strand (participates in β ladder)trans-66.5125.3-173.7-174.4178.5-175.31780108.1G16 T68 T69 K184G16-K18 PolarHBondContact O-N 2.95Å; K18-T68 HydrophobicContact CB-CG2 4.44Å; K18-T68 CarbonylContact O-C 3.46Å; K18-T68 WeakPolarHBondContact O-CA 3.22Å; K18-T68 VanDerWaalsContact O-CG2 3.27Å; K18-T68 WeakPolarHBondContact O-CG2 3.42Å; K18-T69 PolarHBondContact O-N 3.27Å; K18-K184 VanDerWaalsContact CE-O 3.26Å; K18-K184 WeakPolarHBondContact CE-O 3.2Å; K18-K184 PolarHBondContact NZ-O 2.84Å
19I89.9Confident77Confident123 Ų12369.4 Ų69.463%0.63140%0.397SS*.EExtended strand (participates in β ladder)trans-98.7121.8175-54.1177.3000108.6N17 T69N17-I19 PolarHBondContact O-N 3.03Å; I19-T69 CarbonylContact C-O 3.54Å; I19-T69 VanDerWaalsContact CA-O 3.3Å; I19-T69 WeakPolarHBondContact CA-O 3.11Å; I19-T69 HydrophobicContact CG1-CG2 4.4Å; I19-T69 HydrophobicContact CG2-CG2 4.45Å
20C93.5Very high79.2Confident5 Ų560.5 Ų60.53%0.03437%0.371CS..EExtended strand (participates in β ladder)trans-113.4136.5173.5-64.30000109.7F22 T68 T69 V70 K71C20-F22 HydrophobicContact CB-CD2 4.33Å; C20-F22 HydrophobicContact CB-CE2 3.5Å; C20-F22 HydrophobicContact CB-CZ 3.89Å; C20-T68 HydrophobicContact CB-CG2 4.46Å; C20-T69 PolarHBondContact N-O 2.87Å; C20-V70 CarbonylContact O-C 3.47Å; C20-V70 WeakPolarHBondContact O-CA 3.32Å; C20-K71 PolarHBondContact O-N 2.83Å
21Q95.8Very high81.6Confident53 Ų5358.5 Ų58.525%0.24837%0.365CS..EExtended strand (participates in β ladder)trans-113.3127.9-179.4-174.2174.716.700111K71 E73 Q188Q21-K71 VanDerWaalsContact CA-O 3.3Å; Q21-K71 WeakPolarHBondContact CA-O 3.33Å; Q21-K71 HydrophobicContact CB-CB 4.46Å; Q21-K71 HydrophobicContact CG-CB 4.41Å; Q21-K71 HydrophobicContact CG-CD 4.35Å; Q21-K71 HydrophobicContact CG-CG 4.45Å; Q21-E73 HydrophobicContact CG-CG 3.94Å; Q21-E73 VanDerWaalsContact NE2-CG 3.29Å; Q21-E73 PolarHBondContact NE2-OE1 3.25Å; Q21-Q188 PolarHBondContact O-NE2 3.37Å; Q21-Q188 PolarHBondContact O-OE1 3.14Å; Q21-Q188 VanDerWaalsContact O-OE1 3.04Å
22F97.3Very high84.1Confident16 Ų1650.7 Ų50.77%0.0732%0.323CS..EExtended strand (participates in β ladder)trans-130.2134.6-177.5-61.8-75.2000111.2C20 V70 K71 F72 E73 Q95 L182 P183C20-F22 HydrophobicContact CB-CD2 4.33Å; C20-F22 HydrophobicContact CB-CE2 3.5Å; C20-F22 HydrophobicContact CB-CZ 3.89Å; F22-V70 HydrophobicContact CD2-CG1 3.86Å; F22-V70 HydrophobicContact CE2-CG1 4.4Å; F22-V70 HydrophobicContact CE2-CG2 4.33Å; F22-K71 PolarHBondContact N-O 3.18Å; F22-F72 HydrophobicContact CB-CD1 4.44Å; F22-F72 WeakPolarHBondContact O-CA 3.21Å; F22-E73 PolarHBondContact O-N 2.84Å; F22-Q95 HydrophobicContact CD1-CB 3.96Å; F22-Q95 HydrophobicContact CD1-CG 3.95Å; F22-L182 HydrophobicContact CB-CD1 3.88Å; F22-L182 HydrophobicContact CD1-CB 4.5Å; F22-L182 HydrophobicContact CD1-CD1 4.28Å; F22-L182 HydrophobicContact CD1-CD2 4.19Å; F22-L182 HydrophobicContact CD2-CB 4.23Å; F22-L182 HydrophobicContact CD2-CD1 3.7Å; F22-L182 HydrophobicContact CD2-CG 4.49Å; F22-L182 HydrophobicContact CE1-CB 4.24Å; F22-L182 HydrophobicContact CE2-CB 3.95Å; F22-L182 HydrophobicContact CE2-CD1 4.27Å; F22-L182 HydrophobicContact CG-CB 4.49Å; F22-L182 HydrophobicContact CG-CD1 3.69Å; F22-L182 HydrophobicContact CG-CD2 4.41Å; F22-L182 HydrophobicContact CG-CG 4.43Å; F22-L182 HydrophobicContact CZ-CB 3.97Å; F22-P183 VanDerWaalsContact CZ-O 3.3Å; F22-P183 WeakPolarHBondContact CZ-O 3.16Å
23K97.9Very high86.5Confident35 Ų3548.8 Ų48.815%0.15230%0.303CS..EExtended strand (participates in β ladder)trans-78.1124.6170.7-179.2179.1174.2-176.10109.1E73 Y90 R92 A94 Q95 A96K23-E73 WeakPolarHBondContact CA-O 3.4Å; K23-Y90 WeakPolarHBondContact CE-O 3.35Å; K23-Y90 PolarHBondContact NZ-O 3.2Å; K23-R92 PolarHBondContact NZ-O 3Å; K23-A94 HydrophobicContact CD-CB 4.32Å; K23-A94 HydrophobicContact CG-CB 4.14Å; K23-Q95 PolarHBondContact O-N 3.02Å; K23-Q95 PolarHBondContact O-OE1 2.82Å; K23-A96 PolarHBondContact O-N 2.77Å
24L98.5Very high88.8Confident0 Ų043.2 Ų43.20%027%0.266CS..EExtended strand (participates in β ladder)trans-121.8132.4177.4-176.6155000108.8L26 F72 E73 I74 W75 A96 I98 F175 I178L24-L26 HydrophobicContact CD2-CD1 3.59Å; L24-L26 HydrophobicContact CD2-CG 4.39Å; L24-F72 HydrophobicContact CB-CD1 3.99Å; L24-F72 HydrophobicContact CD1-CD1 3.86Å; L24-F72 HydrophobicContact CD1-CE1 3.83Å; L24-F72 HydrophobicContact CD1-CG 4.41Å; L24-F72 HydrophobicContact CD1-CZ 4.35Å; L24-E73 PolarHBondContact N-O 2.95Å; L24-I74 HydrophobicContact CD2-CG2 4.19Å; L24-I74 CarbonylContact O-C 3.51Å; L24-I74 WeakPolarHBondContact O-CA 3.14Å; L24-W75 PolarHBondContact O-N 3.45Å; L24-A96 WeakPolarHBondContact CA-O 3.38Å; L24-A96 HydrophobicContact CB-CB 4.36Å; L24-A96 HydrophobicContact CD1-CB 4.17Å; L24-A96 HydrophobicContact CG-CB 4.14Å; L24-I98 HydrophobicContact CD1-CD1 4.23Å; L24-I98 HydrophobicContact CD1-CG1 4.37Å; L24-I98 HydrophobicContact CD2-CD1 4.12Å; L24-I98 HydrophobicContact CD2-CG1 4.17Å; L24-F175 HydrophobicContact CD1-CD1 3.94Å; L24-F175 HydrophobicContact CD1-CE1 4.03Å; L24-F175 HydrophobicContact CD2-CE1 4.14Å; L24-I178 HydrophobicContact CD1-CD1 4.09Å; L24-I178 HydrophobicContact CD1-CG2 4.25Å
25V98.6Very high91.3Very high0 Ų036.4 Ų36.40%023%0.231CC..EExtended strand (participates in β ladder)trans-115.6140.7177.264.80000110.9L27 W75 T77 A94 A96 A97 I98V25-L27 HydrophobicContact CG1-CD1 4.48Å; V25-L27 HydrophobicContact CG2-CD2 4.3Å; V25-L27 HydrophobicContact CG2-CG 4.25Å; V25-W75 HydrophobicContact CB-CB 4.36Å; V25-W75 HydrophobicContact CG2-CB 4.15Å; V25-T77 HydrophobicContact CG2-CG2 3.73Å; V25-A94 HydrophobicContact CG1-CB 4.08Å; V25-A96 PolarHBondContact N-O 2.87Å; V25-A96 VanDerWaalsContact N-O 3.09Å; V25-A97 HydrophobicContact CG1-CB 3.75Å; V25-A97 CarbonylContact O-C 3.41Å; V25-A97 VanDerWaalsContact O-CA 3.25Å; V25-A97 WeakPolarHBondContact O-CA 3.29Å; V25-I98 PolarHBondContact O-N 3.5Å
26L98.6Very high93.4Very high0 Ų032.3 Ų32.30%020%0.196CC..EExtended strand (participates in β ladder)trans-101.1131.4169.3-73.486.8000109.8L24 K34 V38 I74 W75 T77 I98 V100L24-L26 HydrophobicContact CD2-CD1 3.59Å; L24-L26 HydrophobicContact CD2-CG 4.39Å; L26-K34 HydrophobicContact CB-CB 4.27Å; L26-K34 HydrophobicContact CB-CD 4.21Å; L26-K34 HydrophobicContact CB-CG 4.44Å; L26-K34 HydrophobicContact CD2-CB 4.02Å; L26-V38 HydrophobicContact CD1-CG2 3.39Å; L26-V38 HydrophobicContact CD2-CG2 3.32Å; L26-V38 HydrophobicContact CG-CG2 3.97Å; L26-I74 HydrophobicContact CD1-CG2 3.4Å; L26-W75 PolarHBondContact N-O 2.9Å; L26-T77 WeakPolarHBondContact O-CG2 3.49Å; L26-T77 PolarHBondContact O-OG1 3.17Å; L26-I98 WeakPolarHBondContact CA-O 3.4Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L26-V100 HydrophobicContact CD2-CG2 4.32Å
27L98.4Very high95.2Very high0 Ų029.6 Ų29.60%017%0.169CC..EExtended strand (participates in β ladder)trans-129.9159.8177.6-64.9170000110V25 K34 T77 A87 Y91 I98 V99 V100 W115 L119V25-L27 HydrophobicContact CG1-CD1 4.48Å; V25-L27 HydrophobicContact CG2-CD2 4.3Å; V25-L27 HydrophobicContact CG2-CG 4.25Å; L27-K34 VanDerWaalsContact C-CD 3.49Å; L27-T77 HydrophobicContact CD2-CG2 4.31Å; L27-A87 HydrophobicContact CD2-CB 4.3Å; L27-Y91 HydrophobicContact CD1-CD1 4.15Å; L27-I98 PolarHBondContact N-O 3.35Å; L27-V99 CarbonylContact O-C 3.59Å; L27-V99 WeakPolarHBondContact O-CA 3.32Å; L27-V100 PolarHBondContact O-N 2.91Å; L27-W115 HydrophobicContact CB-CD2 4.11Å; L27-W115 HydrophobicContact CB-CE3 4.36Å; L27-W115 HydrophobicContact CB-CG 4.23Å; L27-W115 HydrophobicContact CD1-CD2 4.49Å; L27-W115 HydrophobicContact CD1-CE3 3.94Å; L27-W115 HydrophobicContact CD1-CZ3 4.39Å; L27-W115 HydrophobicContact CD2-CE3 4.26Å; L27-W115 HydrophobicContact CD2-CH2 4.29Å; L27-W115 HydrophobicContact CD2-CZ3 4.11Å; L27-W115 HydrophobicContact CG-CE3 4.43Å; L27-L119 HydrophobicContact CD1-CD1 4.02Å; L27-L119 HydrophobicContact CD1-CD2 3.73Å; L27-L119 HydrophobicContact CD1-CG 3.98Å
28G98.1Very high96.6Very high1 Ų125.6 Ų25.61%0.0115%0.147CC..  trans139.8166.1-174.700000111.8K34 G79 V100G28-K34 PolarHBondContact O-NZ 3.34Å; G28-G79 VanDerWaalsContact O-CA 3.28Å; G28-G79 WeakPolarHBondContact O-CA 3.48Å; G28-V100 WeakPolarHBondContact CA-O 3.48Å
29E96.9Very high97.2Very high45 Ų4522.9 Ų22.921%0.2114%0.136CC..  trans-63.1167.6-177.7-173.7170.4-135.400113V32 K34 G79 S108E29-V32 HydrophobicContact CB-CG1 3.84Å; E29-V32 VanDerWaalsContact O-CG2 3.24Å; E29-V32 WeakPolarHBondContact O-CG2 3.42Å; E29-K34 PolarHBondContact O-NZ 3.47Å; E29-G79 CarbonylContact C-O 3.57Å; E29-S108 VanDerWaalsContact OE2-CA 3.23Å; E29-S108 WeakPolarHBondContact OE2-CA 3.44Å; E29-S108 VanDerWaalsContact OE2-CB 3.29Å; E29-S108 WeakPolarHBondContact OE2-CB 3.36Å
30S95.7Very high97.6Very high46 Ų4619.3 Ų19.332%0.32212%0.115SC..THydrogen-bonded Turntrans-57.8149.8170.1-164.20000111V32 G79S30-V32 PolarHBondContact O-N 3.02Å; S30-G79 PolarHBondContact N-O 3.49Å
31A96.1Very high97.8Very high82 Ų8219.6 Ų19.668%0.67812%0.116SC*.THydrogen-bonded Turntrans59.45.4174.900000118G33 K135A31-G33 PolarHBondContact O-N 2.86Å; A31-K135 WeakPolarHBondContact O-CE 3.33Å; A31-K135 PolarHBondContact O-NZ 2.94Å
32V98.2Very high97.9Very high1 Ų118.7 Ų18.71%0.00611%0.113CC..SBendtrans-70.6-14.2173-55.50000113.4E29 S30 K34 V100 D102 N134E29-V32 HydrophobicContact CB-CG1 3.84Å; E29-V32 VanDerWaalsContact O-CG2 3.24Å; E29-V32 WeakPolarHBondContact O-CG2 3.42Å; S30-V32 PolarHBondContact O-N 3.02Å; V32-K34 HydrophobicContact CG2-CD 4.47Å; V32-K34 HydrophobicContact CG2-CG 3.8Å; V32-V100 HydrophobicContact CB-CG1 4.34Å; V32-V100 HydrophobicContact CG2-CB 3.94Å; V32-V100 HydrophobicContact CG2-CG1 3.89Å; V32-D102 HydrophobicContact CB-CB 4.46Å; V32-D102 HydrophobicContact CG1-CB 4.42Å; V32-N134 PolarHBondContact O-ND2 2.91Å
33G98.1Very high97.9Very high13 Ų1324 Ų2413%0.13414%0.137CC..SBendtrans98.324.9172.900000116.2A31 S35 S36 L37A31-G33 PolarHBondContact O-N 2.86Å; G33-S35 PolarHBondContact O-N 2.77Å; G33-S36 PolarHBondContact O-N 2.69Å; G33-L37 WeakPolarHBondContact O-CB 3.3Å; G33-L37 PolarHBondContact O-N 2.83Å
34K98.4Very high97.8Very high9 Ų924.6 Ų24.64%0.03915%0.153CC..Hα-helixtrans-51.1-55.5173.7-60.3-174.3-60.2-75.20112.3L26 L27 G28 E29 V32 S36 L37 V38 D76 T77 G79 V100L26-K34 HydrophobicContact CB-CB 4.27Å; L26-K34 HydrophobicContact CB-CD 4.21Å; L26-K34 HydrophobicContact CB-CG 4.44Å; L26-K34 HydrophobicContact CD2-CB 4.02Å; L27-K34 VanDerWaalsContact C-CD 3.49Å; G28-K34 PolarHBondContact O-NZ 3.34Å; E29-K34 PolarHBondContact O-NZ 3.47Å; V32-K34 HydrophobicContact CG2-CD 4.47Å; V32-K34 HydrophobicContact CG2-CG 3.8Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.38Å; K34-L37 WeakPolarHBondContact O-CB 3.36Å; K34-L37 PolarHBondContact O-N 2.81Å; K34-L37 VanDerWaalsContact O-N 3.13Å; K34-V38 WeakPolarHBondContact O-CG2 3.26Å; K34-V38 PolarHBondContact O-N 2.82Å; K34-D76 WeakPolarHBondContact CB-OD1 3.27Å; K34-T77 WeakPolarHBondContact CE-O 3.34Å; K34-G79 VanDerWaalsContact NZ-CA 3.29Å; K34-V100 HydrophobicContact CG-CB 3.95Å; K34-V100 HydrophobicContact CG-CG2 3.97Å
35S98.3Very high97.8Very high19 Ų1929 Ų2913%0.13317%0.173CC..Hα-helixtrans-62.2-39.4-179.4-46.90000112.6G33 V38 L39 T53 D76G33-S35 PolarHBondContact O-N 2.77Å; S35-V38 PolarHBondContact O-N 3.03Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.23Å; S35-T53 PolarHBondContact OG-OG1 3.2Å; S35-D76 WeakPolarHBondContact CA-OD2 3.3Å; S35-D76 WeakPolarHBondContact CB-OD2 3.29Å; S35-D76 PolarHBondContact N-OD1 2.97Å; S35-D76 PolarHBondContact OG-OD1 2.98Å; S35-D76 PolarHBondContact OG-OD2 3.31Å
36S98.5Very high97.7Very high13 Ų1332 Ų329%0.09119%0.186CC..Hα-helixtrans-66.3-38.3175.9-52.10000111.9G33 K34 R40G33-S36 PolarHBondContact O-N 2.69Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.38Å; S36-R40 VanDerWaalsContact O-CB 3.3Å; S36-R40 WeakPolarHBondContact O-CB 3.3Å; S36-R40 PolarHBondContact O-N 3.04Å
37L98.6Very high97.5Very high0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-64.6-45.1176.8-17068.1000110.8G33 K34 R40 F41 V100 T163 V171G33-L37 WeakPolarHBondContact O-CB 3.3Å; G33-L37 PolarHBondContact O-N 2.83Å; K34-L37 WeakPolarHBondContact O-CB 3.36Å; K34-L37 PolarHBondContact O-N 2.81Å; K34-L37 VanDerWaalsContact O-N 3.13Å; L37-R40 PolarHBondContact O-N 3.03Å; L37-F41 WeakPolarHBondContact O-CB 3.03Å; L37-F41 PolarHBondContact O-N 3.26Å; L37-V100 HydrophobicContact CD2-CG2 4.2Å; L37-T163 HydrophobicContact CD1-CG2 4.48Å; L37-V171 HydrophobicContact CD1-CB 4.34Å; L37-V171 HydrophobicContact CD1-CG1 4.02Å; L37-V171 HydrophobicContact CD1-CG2 3.73Å
38V98.1Very high97.1Very high2 Ų242.4 Ų42.41%0.01224%0.235CC..Hα-helixtrans-66.5-44.8176.3179.30000111.3L26 K34 S35 R40 F41 V42 L59 I74 D76L26-V38 HydrophobicContact CD1-CG2 3.39Å; L26-V38 HydrophobicContact CD2-CG2 3.32Å; L26-V38 HydrophobicContact CG-CG2 3.97Å; K34-V38 WeakPolarHBondContact O-CG2 3.26Å; K34-V38 PolarHBondContact O-N 2.82Å; S35-V38 PolarHBondContact O-N 3.03Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 3Å; V38-F41 PolarHBondContact O-N 3.5Å; V38-V42 HydrophobicContact CG1-CG2 3.82Å; V38-V42 WeakPolarHBondContact O-CB 3.29Å; V38-V42 WeakPolarHBondContact O-CG2 3.27Å; V38-V42 PolarHBondContact O-N 3.4Å; V38-L59 HydrophobicContact CG1-CB 4.37Å; V38-L59 HydrophobicContact CG1-CD1 3.89Å; V38-L59 HydrophobicContact CG1-CD2 4.06Å; V38-L59 HydrophobicContact CG1-CG 4.32Å; V38-I74 HydrophobicContact CG1-CD1 4.43Å; V38-I74 HydrophobicContact CG1-CG2 3.86Å; V38-I74 HydrophobicContact CG2-CG2 3.92Å; V38-D76 HydrophobicContact CG2-CB 4.37Å
39L97.9Very high96.7Very high18 Ų1851.1 Ų51.19%0.09427%0.272CS..Hα-helixtrans-59.1-42.3177.1-178.766.8000111.1S35 K43 G44 Q45 H47S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.23Å; L39-K43 HydrophobicContact CD1-CB 4.11Å; L39-K43 HydrophobicContact CD1-CD 3.68Å; L39-K43 HydrophobicContact CD1-CG 4.03Å; L39-K43 WeakPolarHBondContact O-CA 3.42Å; L39-K43 WeakPolarHBondContact O-CB 3.4Å; L39-K43 PolarHBondContact O-N 3.4Å; L39-G44 PolarHBondContact O-N 3.43Å; L39-Q45 CarbonylContact C-O 3.55Å; L39-Q45 HydrophobicContact CD1-CB 4.41Å; L39-Q45 HydrophobicContact CD2-CB 4.32Å; L39-Q45 HydrophobicContact CG-CB 4.1Å; L39-H47 WeakPolarHBondContact CD2-ND1 3.3Å
40R98.3Very high96.3Very high48 Ų4852.9 Ų52.918%0.18128%0.281CS..Hα-helixtrans-63.1-44.2177179.558.673.5176.516.5111.5S36 L37 V38 G44 Q45 A165 K166 S168 V171S36-R40 VanDerWaalsContact O-CB 3.3Å; S36-R40 WeakPolarHBondContact O-CB 3.3Å; S36-R40 PolarHBondContact O-N 3.04Å; L37-R40 PolarHBondContact O-N 3.03Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 3Å; R40-G44 VanDerWaalsContact NH1-C 3.34Å; R40-G44 PolarHBondContact NH1-O 2.96Å; R40-G44 WeakPolarHBondContact O-CA 3.41Å; R40-G44 PolarHBondContact O-N 3.27Å; R40-Q45 WeakPolarHBondContact CA-O 3.49Å; R40-Q45 PolarHBondContact N-O 3.49Å; R40-A165 PolarHBondContact NE-O 2.69Å; R40-A165 PolarHBondContact NH2-O 2.95Å; R40-K166 PolarHBondContact NH2-O 3.46Å; R40-S168 VanDerWaalsContact CD-OG 3.27Å; R40-S168 WeakPolarHBondContact CD-OG 3.47Å; R40-S168 PolarHBondContact NE-OG 3Å; R40-V171 HydrophobicContact CB-CG1 4.17Å; R40-V171 HydrophobicContact CG-CB 4.25Å; R40-V171 HydrophobicContact CG-CG1 3.88Å; R40-V171 HydrophobicContact CG-CG2 4.06Å
41F98.4Very high96.1Very high11 Ų1158.7 Ų58.75%0.04830%0.303CS..Hα-helixtrans-68.5-42.3179.2176.7-122000113.5L37 V38 Q61 V63 F72 I74 V171 F175L37-F41 WeakPolarHBondContact O-CB 3.03Å; L37-F41 PolarHBondContact O-N 3.26Å; V38-F41 PolarHBondContact O-N 3.5Å; F41-Q61 HydrophobicContact CD1-CB 4.07Å; F41-Q61 HydrophobicContact CD1-CG 3.89Å; F41-Q61 HydrophobicContact CE1-CB 3.57Å; F41-Q61 HydrophobicContact CE1-CG 3.37Å; F41-Q61 HydrophobicContact CE2-CG 4.12Å; F41-Q61 HydrophobicContact CG-CG 4.47Å; F41-Q61 HydrophobicContact CZ-CB 4.16Å; F41-Q61 HydrophobicContact CZ-CG 3.49Å; F41-Q61 VanDerWaalsContact CZ-CG 3.49Å; F41-Q61 PolarHBondContact O-NE2 2.82Å; F41-V63 HydrophobicContact CE2-CG2 4.08Å; F41-V63 HydrophobicContact CZ-CG2 3.57Å; F41-F72 HydrophobicContact CE1-CD2 4.28Å; F41-F72 HydrophobicContact CZ-CD2 4.33Å; F41-I74 HydrophobicContact CD1-CD1 3.88Å; F41-I74 HydrophobicContact CE1-CD1 3.91Å; F41-V171 HydrophobicContact CB-CG1 3.91Å; F41-F175 HydrophobicContact CB-CD2 3.88Å; F41-F175 HydrophobicContact CB-CE2 3.52Å; F41-F175 HydrophobicContact CB-CZ 4.15Å; F41-F175 AromaticContact CD1-CD1 3.81Å; F41-F175 HydrophobicContact CD1-CD1 3.81Å; F41-F175 AromaticContact CD1-CD2 3.6Å; F41-F175 HydrophobicContact CD1-CD2 3.6Å; F41-F175 AromaticContact CD1-CE1 3.8Å; F41-F175 HydrophobicContact CD1-CE1 3.8Å; F41-F175 AromaticContact CD1-CE2 3.65Å; F41-F175 HydrophobicContact CD1-CE2 3.65Å; F41-F175 AromaticContact CD1-CG 3.73Å; F41-F175 HydrophobicContact CD1-CG 3.73Å; F41-F175 AromaticContact CD1-CZ 3.74Å; F41-F175 HydrophobicContact CD1-CZ 3.74Å; F41-F175 HydrophobicContact CD2-CB 4.2Å; F41-F175 AromaticContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CD2 3.47Å; F41-F175 VanDerWaalsContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CE2 4.05Å; F41-F175 AromaticContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CE1-CB 3.99Å; F41-F175 AromaticContact CE1-CD1 3.58Å; F41-F175 HydrophobicContact CE1-CD1 3.58Å; F41-F175 AromaticContact CE1-CD2 3.91Å; F41-F175 HydrophobicContact CE1-CD2 3.91Å; F41-F175 AromaticContact CE1-CE1 3.99Å; F41-F175 HydrophobicContact CE1-CE1 3.99Å; F41-F175 HydrophobicContact CE1-CE2 4.34Å; F41-F175 AromaticContact CE1-CG 3.56Å; F41-F175 HydrophobicContact CE1-CG 3.56Å; F41-F175 HydrophobicContact CE1-CZ 4.37Å; F41-F175 HydrophobicContact CE2-CB 3.63Å; F41-F175 AromaticContact CE2-CD2 3.82Å; F41-F175 HydrophobicContact CE2-CD2 3.82Å; F41-F175 AromaticContact CE2-CG 3.81Å; F41-F175 HydrophobicContact CE2-CG 3.81Å; F41-F175 HydrophobicContact CG-CD1 4.42Å; F41-F175 AromaticContact CG-CD2 3.35Å; F41-F175 HydrophobicContact CG-CD2 3.35Å; F41-F175 HydrophobicContact CG-CE1 4.46Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.91Å; F41-F175 HydrophobicContact CG-CG 3.91Å; F41-F175 HydrophobicContact CG-CZ 4.04Å; F41-F175 HydrophobicContact CZ-CB 3.51Å; F41-F175 HydrophobicContact CZ-CD1 4.04Å; F41-F175 HydrophobicContact CZ-CD2 4.02Å; F41-F175 AromaticContact CZ-CG 3.6Å; F41-F175 HydrophobicContact CZ-CG 3.6Å
42V97.5Very high95.9Very high33 Ų3358.3 Ų58.320%0.230%0.295CS..Hα-helixtrans-80.2-43.4-174.7178.30000111.6V38 L59 Q61 I74V38-V42 HydrophobicContact CG1-CG2 3.82Å; V38-V42 WeakPolarHBondContact O-CB 3.29Å; V38-V42 WeakPolarHBondContact O-CG2 3.27Å; V38-V42 PolarHBondContact O-N 3.4Å; V42-L59 HydrophobicContact CB-CD2 4.31Å; V42-L59 HydrophobicContact CG1-CD2 4.18Å; V42-L59 HydrophobicContact CG2-CB 4.18Å; V42-L59 HydrophobicContact CG2-CD2 4.09Å; V42-Q61 HydrophobicContact CG2-CB 4.04Å; V42-Q61 PolarHBondContact O-NE2 3.23Å; V42-I74 HydrophobicContact CG2-CD1 4.07Å
43K96.4Very high95.5Very high129 Ų12959.5 Ų59.556%0.56130%0.302SS*.Hα-helixtrans-114.6-5.8-170.9-58.7-165.2-173.4176.30114.2L39 Q45L39-K43 HydrophobicContact CD1-CB 4.11Å; L39-K43 HydrophobicContact CD1-CD 3.68Å; L39-K43 HydrophobicContact CD1-CG 4.03Å; L39-K43 WeakPolarHBondContact O-CA 3.42Å; L39-K43 WeakPolarHBondContact O-CB 3.4Å; L39-K43 PolarHBondContact O-N 3.4Å; K43-Q45 HydrophobicContact CB-CB 4.2Å; K43-Q45 HydrophobicContact CB-CG 4.14Å; K43-Q45 PolarHBondContact O-N 3.27Å
44G96.9Very high95.1Very high47 Ų4765.1 Ų65.149%0.48533%0.328SS..SBendtrans64.522-172.100000112.7L39 R40L39-G44 PolarHBondContact O-N 3.43Å; R40-G44 VanDerWaalsContact NH1-C 3.34Å; R40-G44 PolarHBondContact NH1-O 2.96Å; R40-G44 WeakPolarHBondContact O-CA 3.41Å; R40-G44 PolarHBondContact O-N 3.27Å
45Q96.9Very high94.8Very high92 Ų9265.2 Ų65.243%0.4333%0.332SS..  trans-115.3154.2-173.9-72.5173.7-2.400112.1L39 R40 K43L39-Q45 CarbonylContact C-O 3.55Å; L39-Q45 HydrophobicContact CD1-CB 4.41Å; L39-Q45 HydrophobicContact CD2-CB 4.32Å; L39-Q45 HydrophobicContact CG-CB 4.1Å; R40-Q45 WeakPolarHBondContact CA-O 3.49Å; R40-Q45 PolarHBondContact N-O 3.49Å; K43-Q45 HydrophobicContact CB-CB 4.2Å; K43-Q45 HydrophobicContact CB-CG 4.14Å; K43-Q45 PolarHBondContact O-N 3.27Å
46F97.3Very high94.5Very high63 Ų6365.8 Ų65.828%0.27634%0.337SS..  trans-140.2134.8170.9173.4-94.5000109.1E48 A165 K166F46-E48 HydrophobicContact CE1-CB 4.34Å; F46-A165 HydrophobicContact CD2-CB 4.1Å; F46-A165 HydrophobicContact CE2-CB 4.32Å; F46-K166 HydrophobicContact CD1-CB 4.46Å; F46-K166 HydrophobicContact CD1-CG 4.2Å; F46-K166 HydrophobicContact CD2-CB 4.34Å; F46-K166 HydrophobicContact CE1-CB 4.13Å; F46-K166 HydrophobicContact CE1-CD 4.24Å; F46-K166 HydrophobicContact CE1-CG 3.84Å; F46-K166 HydrophobicContact CE2-CB 4Å; F46-K166 HydrophobicContact CZ-CB 3.89Å; F46-K166 HydrophobicContact CZ-CD 4.36Å; F46-K166 HydrophobicContact CZ-CG 4.06Å
47H95.1Very high94.4Very high88 Ų8867 Ų6741%0.40735%0.348SS..  trans-113.1129.1172.2-56.4141000108.5L39 F49L39-H47 WeakPolarHBondContact CD2-ND1 3.3Å; H47-F49 VanDerWaalsContact C-N 3.25Å; H47-F49 PolarHBondContact O-N 2.99Å
48E89.7Confident94.3Very high131 Ų13171.9 Ų71.961%0.61237%0.37SS*.SBendtrans-63.9-36.3178.4-171.9149-131.200111.4F46 K166F46-E48 HydrophobicContact CE1-CB 4.34Å; E48-K166 IonicContact OE1-NZ 3.65Å
49F89.3Confident94.2Very high183 Ų18373.6 Ų73.680%0.80338%0.379SS*.SBendtrans-110.789.5175.8-52.9-71.9000109.4H47H47-F49 VanDerWaalsContact C-N 3.25Å; H47-F49 PolarHBondContact O-N 2.99Å
50Q89.6Confident94.2Very high82 Ų8275.6 Ų75.638%0.38339%0.392SS..PPolyproline II helixtrans-91.4126174.1-176.362.130.800109.6
51E90.5Very high94.2Very high169 Ų16975.9 Ų75.979%0.7940%0.395SS*.PPolyproline II helixtrans-65153174.9-65.9-173.6160.200111.7T53E51-T53 PolarHBondContact O-N 3.36Å
52S92.3Very high94.1Very high73 Ų7378.5 Ų78.551%0.5141%0.412SS..PPolyproline II helixtrans-65126.7175.6-75.90000111.1I54 Q80S52-I54 PolarHBondContact O-N 3.26Å; S52-Q80 PolarHBondContact OG-NE2 2.86Å
53T89.9Confident93.9Very high26 Ų2677.6 Ų77.616%0.1641%0.407CS..PPolyproline II helixtrans-63.2129171.6-55.50000110.7S35 E51 D76 A78S35-T53 PolarHBondContact OG-OG1 3.2Å; E51-T53 PolarHBondContact O-N 3.36Å; T53-D76 PolarHBondContact OG1-OD2 3.49Å; T53-A78 WeakPolarHBondContact O-CB 3.12Å
54I89.9Confident93.7Very high131 Ų13175.7 Ų75.767%0.67241%0.409SS*.PPolyproline II helixtrans-98.4118.4174.2-62176.6000107.9S52 A56S52-I54 PolarHBondContact O-N 3.26Å; I54-A56 PolarHBondContact O-N 2.92Å; I54-A56 VanDerWaalsContact O-N 3.14Å
55G90.6Very high93.2Very high12 Ų1274.2 Ų74.212%0.12439%0.389CS..SBendtrans69.7-105.3-177.700000112.3A78G55-A78 VanDerWaalsContact O-CB 3.28Å; G55-A78 WeakPolarHBondContact O-CB 3.48Å; G55-A78 PolarHBondContact O-N 3.42Å
56A93.1Very high92.5Very high30 Ų3078.1 Ų78.125%0.24841%0.413CS..EExtended strand (participates in β ladder)trans-151.4148.8172.800000112.2I54 W75 D76 T77 Y90I54-A56 PolarHBondContact O-N 2.92Å; I54-A56 VanDerWaalsContact O-N 3.14Å; A56-W75 HydrophobicContact CB-CE3 4.25Å; A56-D76 CarbonylContact C-O 3.55Å; A56-D76 WeakPolarHBondContact CA-O 3.3Å; A56-D76 WeakPolarHBondContact CB-O 3.22Å; A56-T77 HydrophobicContact CB-CG2 4.4Å; A56-Y90 HydrophobicContact CB-CD1 3.85Å; A56-Y90 HydrophobicContact CB-CD2 4.36Å; A56-Y90 HydrophobicContact CB-CE1 3.33Å; A56-Y90 HydrophobicContact CB-CE2 3.91Å; A56-Y90 HydrophobicContact CB-CG 4.34Å
57A95.5Very high91.8Very high38 Ų3880.7 Ų80.731%0.31443%0.43SS..EExtended strand (participates in β ladder)trans-104144.3170.500000110.7L59 D76A57-L59 HydrophobicContact CB-CD1 4.09Å; A57-D76 HydrophobicContact CB-CB 4.35Å; A57-D76 PolarHBondContact N-O 3.3Å; A57-D76 PolarHBondContact O-N 3.46Å
58F96.6Very high91.5Very high104 Ų10477 Ų7746%0.45641%0.413SS..EExtended strand (participates in β ladder)trans-109.2127.1176.7178.9-99.8000110.4T60 E73 I74 W75F58-T60 HydrophobicContact CE1-CG2 3.71Å; F58-T60 HydrophobicContact CZ-CG2 3.73Å; F58-E73 HydrophobicContact CE2-CB 3.82Å; F58-E73 HydrophobicContact CE2-CG 4.16Å; F58-E73 HydrophobicContact CZ-CB 4.14Å; F58-E73 HydrophobicContact CZ-CG 3.99Å; F58-I74 WeakPolarHBondContact CA-O 3.49Å; F58-W75 HydrophobicContact CD2-CD2 4.23Å; F58-W75 AromaticContact CD2-CE2 3.75Å; F58-W75 AromaticContact CD2-CZ2 3.95Å; F58-W75 HydrophobicContact CD2-CZ2 3.95Å; F58-W75 AromaticContact CD2-NE1 3.83Å; F58-W75 HydrophobicContact CE2-CZ2 4.38Å; F58-W75 AromaticContact CE2-NE1 3.92Å
59L97.6Very high91.7Very high38 Ų3871.4 Ų71.420%0.19939%0.388CS..EExtended strand (participates in β ladder)trans-133.2159.7176.6-60.994.6000109.9V38 V42 A57 I74 D76V38-L59 HydrophobicContact CG1-CB 4.37Å; V38-L59 HydrophobicContact CG1-CD1 3.89Å; V38-L59 HydrophobicContact CG1-CD2 4.06Å; V38-L59 HydrophobicContact CG1-CG 4.32Å; V42-L59 HydrophobicContact CB-CD2 4.31Å; V42-L59 HydrophobicContact CG1-CD2 4.18Å; V42-L59 HydrophobicContact CG2-CB 4.18Å; V42-L59 HydrophobicContact CG2-CD2 4.09Å; A57-L59 HydrophobicContact CB-CD1 4.09Å; L59-I74 HydrophobicContact CB-CB 4.41Å; L59-I74 PolarHBondContact N-O 2.91Å; L59-I74 PolarHBondContact O-N 2.68Å; L59-D76 HydrophobicContact CD1-CB 4.46Å
60T97.7Very high92Very high60 Ų6062.7 Ų62.737%0.36835%0.35SS..EExtended strand (participates in β ladder)trans-128142.1170.663.90000110.3F58 F72 E73F58-T60 HydrophobicContact CE1-CG2 3.71Å; F58-T60 HydrophobicContact CZ-CG2 3.73Å; T60-F72 WeakPolarHBondContact CA-O 3.23Å; T60-E73 HydrophobicContact CG2-CG 4.47Å
61Q97.5Very high92.4Very high54 Ų5462 Ų6225%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-146.5144.1172.7179.561.1-58.500110.3F41 V42 F72 I74F41-Q61 HydrophobicContact CD1-CB 4.07Å; F41-Q61 HydrophobicContact CD1-CG 3.89Å; F41-Q61 HydrophobicContact CE1-CB 3.57Å; F41-Q61 HydrophobicContact CE1-CG 3.37Å; F41-Q61 HydrophobicContact CE2-CG 4.12Å; F41-Q61 HydrophobicContact CG-CG 4.47Å; F41-Q61 HydrophobicContact CZ-CB 4.16Å; F41-Q61 HydrophobicContact CZ-CG 3.49Å; F41-Q61 VanDerWaalsContact CZ-CG 3.49Å; F41-Q61 PolarHBondContact O-NE2 2.82Å; V42-Q61 HydrophobicContact CG2-CB 4.04Å; V42-Q61 PolarHBondContact O-NE2 3.23Å; Q61-F72 PolarHBondContact N-O 2.79Å; Q61-F72 PolarHBondContact O-N 3.45Å; Q61-I74 HydrophobicContact CB-CD1 4.22Å
62T95.8Very high92.7Very high66 Ų6654 Ų5441%0.40531%0.308SS..EExtended strand (participates in β ladder)trans-109.1136.4-178-58.50000110.5T69 V70T62-T69 HydrophobicContact CG2-CG2 3.1Å; T62-V70 CarbonylContact C-O 3.59Å; T62-V70 WeakPolarHBondContact CA-O 3.48Å
63V94.2Very high93Very high14 Ų1453.2 Ų53.29%0.08530%0.297CS..EExtended strand (participates in β ladder)trans-119.7128.9173.6-177.40000108.1F41 L65 V70 F72 M176F41-V63 HydrophobicContact CE2-CG2 4.08Å; F41-V63 HydrophobicContact CZ-CG2 3.57Å; V63-L65 HydrophobicContact CG1-CD2 4.43Å; V63-V70 PolarHBondContact N-O 3.12Å; V63-V70 PolarHBondContact O-N 3.09Å; V63-F72 HydrophobicContact CG2-CD2 4.22Å; V63-F72 HydrophobicContact CG2-CE2 4.02Å; V63-M176 HydrophobicContact CG1-CG 3.82Å
64C91.3Very high93.4Very high89 Ų8952 Ų5260%0.60129%0.289SS*.EExtended strand (participates in β ladder)trans-87.7122.1172.7-61.90000109.4
65L87.3Confident93.8Very high16 Ų1649 Ų498%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-98.5162.6160.3-49.3174.7000107.6V63 D67 T68 V70 A179 K180 K184V63-L65 HydrophobicContact CG1-CD2 4.43Å; L65-D67 PolarHBondContact O-N 2.93Å; L65-T68 CarbonylContact C-O 3.55Å; L65-T68 WeakPolarHBondContact CA-O 3.39Å; L65-T68 WeakPolarHBondContact CB-O 3.22Å; L65-T68 PolarHBondContact N-O 2.7Å; L65-T68 PolarHBondContact O-N 3.05Å; L65-V70 HydrophobicContact CD1-CG2 3.99Å; L65-A179 HydrophobicContact CD1-CB 4.26Å; L65-A179 HydrophobicContact CD2-CB 4.33Å; L65-K180 HydrophobicContact CD2-CG 4.1Å; L65-K184 HydrophobicContact CD1-CD 4.46Å; L65-K184 VanDerWaalsContact CD1-CE 3.45Å
66D81.3Confident94.2Very high174 Ų17448.8 Ų48.893%0.9327%0.265SS*.THydrogen-bonded Turntrans-49.9-38.6-169.5-58.4-37.8000113.6
67D82.4Confident94.3Very high116 Ų11647.6 Ų47.662%0.6226%0.255SS*.THydrogen-bonded Turntrans-129.25.7-170.946.1-23.3000113L65L65-D67 PolarHBondContact O-N 2.93Å
68T89.9Confident94.2Very high10 Ų1046.3 Ų46.36%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-154.9137.6179.2-60.20000111N17 K18 C20 L65 K184N17-T68 WeakPolarHBondContact OD1-CA 3.48Å; N17-T68 PolarHBondContact OD1-N 3.48Å; K18-T68 HydrophobicContact CB-CG2 4.44Å; K18-T68 CarbonylContact O-C 3.46Å; K18-T68 WeakPolarHBondContact O-CA 3.22Å; K18-T68 VanDerWaalsContact O-CG2 3.27Å; K18-T68 WeakPolarHBondContact O-CG2 3.42Å; C20-T68 HydrophobicContact CB-CG2 4.46Å; L65-T68 CarbonylContact C-O 3.55Å; L65-T68 WeakPolarHBondContact CA-O 3.39Å; L65-T68 WeakPolarHBondContact CB-O 3.22Å; L65-T68 PolarHBondContact N-O 2.7Å; L65-T68 PolarHBondContact O-N 3.05Å; T68-K184 HydrophobicContact CG2-CB 4.44Å; T68-K184 HydrophobicContact CG2-CD 4.17Å; T68-K184 HydrophobicContact CG2-CG 4.27Å
69T93.1Very high93.7Very high14 Ų1442.2 Ų42.29%0.08623%0.232CC..EExtended strand (participates in β ladder)trans-94.6126169.9-63.30000110.3N17 K18 I19 C20 T62N17-T69 PolarHBondContact ND2-OG1 3.3Å; K18-T69 PolarHBondContact O-N 3.27Å; I19-T69 CarbonylContact C-O 3.54Å; I19-T69 VanDerWaalsContact CA-O 3.3Å; I19-T69 WeakPolarHBondContact CA-O 3.11Å; I19-T69 HydrophobicContact CG1-CG2 4.4Å; I19-T69 HydrophobicContact CG2-CG2 4.45Å; C20-T69 PolarHBondContact N-O 2.87Å; T62-T69 HydrophobicContact CG2-CG2 3.1Å
70V95.9Very high93.3Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-103.8119.8175.51700000109.5C20 F22 T62 V63 L65 F72 A179C20-V70 CarbonylContact O-C 3.47Å; C20-V70 WeakPolarHBondContact O-CA 3.32Å; F22-V70 HydrophobicContact CD2-CG1 3.86Å; F22-V70 HydrophobicContact CE2-CG1 4.4Å; F22-V70 HydrophobicContact CE2-CG2 4.33Å; T62-V70 CarbonylContact C-O 3.59Å; T62-V70 WeakPolarHBondContact CA-O 3.48Å; V63-V70 PolarHBondContact N-O 3.12Å; V63-V70 PolarHBondContact O-N 3.09Å; L65-V70 HydrophobicContact CD1-CG2 3.99Å; V70-F72 HydrophobicContact CG1-CD1 4.29Å; V70-F72 HydrophobicContact CG1-CD2 4.3Å; V70-F72 HydrophobicContact CG1-CE1 3.99Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CG 4.45Å; V70-F72 HydrophobicContact CG1-CZ 3.86Å; V70-A179 HydrophobicContact CB-CB 4.15Å; V70-A179 HydrophobicContact CG1-CB 4.1Å; V70-A179 HydrophobicContact CG2-CB 4.14Å
71K97.3Very high92.6Very high68 Ų6849 Ų4930%0.29626%0.258SS..EExtended strand (participates in β ladder)trans-98.6115.3170.7-176.4-177.4177-167.80109.6C20 Q21 F22C20-K71 PolarHBondContact O-N 2.83Å; Q21-K71 VanDerWaalsContact CA-O 3.3Å; Q21-K71 WeakPolarHBondContact CA-O 3.33Å; Q21-K71 HydrophobicContact CB-CB 4.46Å; Q21-K71 HydrophobicContact CG-CB 4.41Å; Q21-K71 HydrophobicContact CG-CD 4.35Å; Q21-K71 HydrophobicContact CG-CG 4.45Å; F22-K71 PolarHBondContact N-O 3.18Å
72F98.3Very high92.1Very high0 Ų054.7 Ų54.70%028%0.277CS..EExtended strand (participates in β ladder)trans-84.4133.2171.7-70.8-62.9000111.4F22 L24 F41 T60 Q61 V63 V70 I74 F175 I178 A179 L182F22-F72 HydrophobicContact CB-CD1 4.44Å; F22-F72 WeakPolarHBondContact O-CA 3.21Å; L24-F72 HydrophobicContact CB-CD1 3.99Å; L24-F72 HydrophobicContact CD1-CD1 3.86Å; L24-F72 HydrophobicContact CD1-CE1 3.83Å; L24-F72 HydrophobicContact CD1-CG 4.41Å; L24-F72 HydrophobicContact CD1-CZ 4.35Å; F41-F72 HydrophobicContact CE1-CD2 4.28Å; F41-F72 HydrophobicContact CZ-CD2 4.33Å; T60-F72 WeakPolarHBondContact CA-O 3.23Å; Q61-F72 PolarHBondContact N-O 2.79Å; Q61-F72 PolarHBondContact O-N 3.45Å; V63-F72 HydrophobicContact CG2-CD2 4.22Å; V63-F72 HydrophobicContact CG2-CE2 4.02Å; V70-F72 HydrophobicContact CG1-CD1 4.29Å; V70-F72 HydrophobicContact CG1-CD2 4.3Å; V70-F72 HydrophobicContact CG1-CE1 3.99Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CG 4.45Å; V70-F72 HydrophobicContact CG1-CZ 3.86Å; F72-I74 HydrophobicContact CB-CD1 4.16Å; F72-I74 HydrophobicContact CB-CG1 3.71Å; F72-F175 HydrophobicContact CD2-CD1 4.47Å; F72-F175 HydrophobicContact CE2-CB 4.19Å; F72-F175 HydrophobicContact CE2-CD1 4.44Å; F72-I178 HydrophobicContact CE1-CG2 4.04Å; F72-I178 HydrophobicContact CZ-CB 4.42Å; F72-I178 HydrophobicContact CZ-CG2 4.06Å; F72-A179 HydrophobicContact CE2-CB 4.12Å; F72-A179 HydrophobicContact CZ-CB 3.81Å; F72-L182 HydrophobicContact CE1-CD1 3.74Å; F72-L182 HydrophobicContact CZ-CD1 4.34Å
73E98.3Very high91.8Very high57 Ų5753.5 Ų53.527%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-99.996.5162.9-73.8-170.6146.400108.3Q21 F22 K23 L24 F58 T60Q21-E73 HydrophobicContact CG-CG 3.94Å; Q21-E73 VanDerWaalsContact NE2-CG 3.29Å; Q21-E73 PolarHBondContact NE2-OE1 3.25Å; F22-E73 PolarHBondContact O-N 2.84Å; K23-E73 WeakPolarHBondContact CA-O 3.4Å; L24-E73 PolarHBondContact N-O 2.95Å; F58-E73 HydrophobicContact CE2-CB 3.82Å; F58-E73 HydrophobicContact CE2-CG 4.16Å; F58-E73 HydrophobicContact CZ-CB 4.14Å; F58-E73 HydrophobicContact CZ-CG 3.99Å; T60-E73 HydrophobicContact CG2-CG 4.47Å
74I98.6Very high91.5Very high0 Ų057.2 Ų57.20%028%0.282CS..EExtended strand (participates in β ladder)trans-94121.7-167.5-54.6173.4000109.8L24 L26 V38 F41 V42 F58 L59 Q61 F72 F175L24-I74 HydrophobicContact CD2-CG2 4.19Å; L24-I74 CarbonylContact O-C 3.51Å; L24-I74 WeakPolarHBondContact O-CA 3.14Å; L26-I74 HydrophobicContact CD1-CG2 3.4Å; V38-I74 HydrophobicContact CG1-CD1 4.43Å; V38-I74 HydrophobicContact CG1-CG2 3.86Å; V38-I74 HydrophobicContact CG2-CG2 3.92Å; F41-I74 HydrophobicContact CD1-CD1 3.88Å; F41-I74 HydrophobicContact CE1-CD1 3.91Å; V42-I74 HydrophobicContact CG2-CD1 4.07Å; F58-I74 WeakPolarHBondContact CA-O 3.49Å; L59-I74 HydrophobicContact CB-CB 4.41Å; L59-I74 PolarHBondContact N-O 2.91Å; L59-I74 PolarHBondContact O-N 2.68Å; Q61-I74 HydrophobicContact CB-CD1 4.22Å; F72-I74 HydrophobicContact CB-CD1 4.16Å; F72-I74 HydrophobicContact CB-CG1 3.71Å; I74-F175 HydrophobicContact CD1-CE1 4.32Å
75W98.2Very high91.4Very high70 Ų7057.7 Ų57.727%0.26529%0.286SS..EExtended strand (participates in β ladder)trans-102.5101.2171.6-68.781000109.4L24 V25 L26 A56 F58 Y90L24-W75 PolarHBondContact O-N 3.45Å; V25-W75 HydrophobicContact CB-CB 4.36Å; V25-W75 HydrophobicContact CG2-CB 4.15Å; L26-W75 PolarHBondContact N-O 2.9Å; A56-W75 HydrophobicContact CB-CE3 4.25Å; F58-W75 HydrophobicContact CD2-CD2 4.23Å; F58-W75 AromaticContact CD2-CE2 3.75Å; F58-W75 AromaticContact CD2-CZ2 3.95Å; F58-W75 HydrophobicContact CD2-CZ2 3.95Å; F58-W75 AromaticContact CD2-NE1 3.83Å; F58-W75 HydrophobicContact CE2-CZ2 4.38Å; F58-W75 AromaticContact CE2-NE1 3.92Å; W75-Y90 HydrophobicContact CD2-CD1 4.43Å; W75-Y90 AromaticContact CE3-CD1 3.6Å; W75-Y90 HydrophobicContact CE3-CD1 3.6Å; W75-Y90 AromaticContact CE3-CE1 3.97Å; W75-Y90 HydrophobicContact CE3-CE1 3.97Å; W75-Y90 AromaticContact CZ3-CD1 3.94Å; W75-Y90 HydrophobicContact CZ3-CD1 3.94Å; W75-Y90 AromaticContact CZ3-CE1 3.96Å; W75-Y90 HydrophobicContact CZ3-CE1 3.96Å
76D97.7Very high91.7Very high6 Ų659.9 Ų59.93%0.03230%0.298CS..EExtended strand (participates in β ladder)trans-84.3107.4171.1176.241.5000109.4K34 S35 V38 T53 A56 A57 L59K34-D76 WeakPolarHBondContact CB-OD1 3.27Å; S35-D76 WeakPolarHBondContact CA-OD2 3.3Å; S35-D76 WeakPolarHBondContact CB-OD2 3.29Å; S35-D76 PolarHBondContact N-OD1 2.97Å; S35-D76 PolarHBondContact OG-OD1 2.98Å; S35-D76 PolarHBondContact OG-OD2 3.31Å; V38-D76 HydrophobicContact CG2-CB 4.37Å; T53-D76 PolarHBondContact OG1-OD2 3.49Å; A56-D76 CarbonylContact C-O 3.55Å; A56-D76 WeakPolarHBondContact CA-O 3.3Å; A56-D76 WeakPolarHBondContact CB-O 3.22Å; A57-D76 HydrophobicContact CB-CB 4.35Å; A57-D76 PolarHBondContact N-O 3.3Å; A57-D76 PolarHBondContact O-N 3.46Å; L59-D76 HydrophobicContact CD1-CB 4.46Å
77T96.5Very high92.2Very high6 Ų651.8 Ų51.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-92.6153.3-17677.20000112.2V25 L26 L27 K34 A56 Y90V25-T77 HydrophobicContact CG2-CG2 3.73Å; L26-T77 WeakPolarHBondContact O-CG2 3.49Å; L26-T77 PolarHBondContact O-OG1 3.17Å; L27-T77 HydrophobicContact CD2-CG2 4.31Å; K34-T77 WeakPolarHBondContact CE-O 3.34Å; A56-T77 HydrophobicContact CB-CG2 4.4Å; T77-Y90 HydrophobicContact CG2-CD2 3.73Å; T77-Y90 HydrophobicContact CG2-CG 3.82Å
78A92.8Very high92.8Very high10 Ų1048.6 Ų48.68%0.08324%0.24CC..  trans-59.5141167.100000110.4T53 G55 Y83T53-A78 WeakPolarHBondContact O-CB 3.12Å; G55-A78 VanDerWaalsContact O-CB 3.28Å; G55-A78 WeakPolarHBondContact O-CB 3.48Å; G55-A78 PolarHBondContact O-N 3.42Å; A78-Y83 HydrophobicContact CB-CD2 3.45Å; A78-Y83 VanDerWaalsContact CB-CD2 3.45Å; A78-Y83 HydrophobicContact CB-CE2 4.18Å; A78-Y83 HydrophobicContact CB-CG 3.97Å
79G85.8Confident93Very high19 Ų1953.4 Ų53.420%0.19626%0.264CS..  trans-97.3-0.5174.100000114.2G28 E29 S30 K34G28-G79 VanDerWaalsContact O-CA 3.28Å; G28-G79 WeakPolarHBondContact O-CA 3.48Å; E29-G79 CarbonylContact C-O 3.57Å; S30-G79 PolarHBondContact N-O 3.49Å; K34-G79 VanDerWaalsContact NZ-CA 3.29Å
80Q90.1Very high93.1Very high58 Ų5854 Ų5427%0.27126%0.264SS..SBendtrans-75.9135.7179-57.3179.413.900109.9S52 R82 Y83S52-Q80 PolarHBondContact OG-NE2 2.86Å; Q80-R82 HydrophobicContact CB-CG 4.01Å; Q80-R82 PolarHBondContact O-N 2.8Å; Q80-R82 VanDerWaalsContact O-N 3.13Å; Q80-Y83 HydrophobicContact CB-CD2 3.97Å; Q80-Y83 HydrophobicContact CB-CE2 4.32Å; Q80-Y83 PolarHBondContact O-N 2.79Å
81E81.8Confident93.1Very high181 Ų18154.2 Ų54.285%0.84627%0.265SS*.G310 helixtrans-52-35.4-179.666.5-156.1-16800114.3Y83 H84E81-Y83 PolarHBondContact O-N 3.04Å; E81-H84 WeakPolarHBondContact O-CB 3.2Å; E81-H84 PolarHBondContact O-N 2.91Å
82R87.8Confident93.1Very high175 Ų17560.4 Ų60.466%0.6629%0.287SS*.G310 helixtrans-59.1-18.3177.466.7-177.7-65.6-179.4-0.4113.9Q80Q80-R82 HydrophobicContact CB-CG 4.01Å; Q80-R82 PolarHBondContact O-N 2.8Å; Q80-R82 VanDerWaalsContact O-N 3.13Å
83Y88.3Confident92.9Very high41 Ų4162.5 Ų62.516%0.16131%0.308CS..G310 helixtrans-106.31.4176.3-56.9-64.5000113.1A78 Q80 E81 S85 L86A78-Y83 HydrophobicContact CB-CD2 3.45Å; A78-Y83 VanDerWaalsContact CB-CD2 3.45Å; A78-Y83 HydrophobicContact CB-CE2 4.18Å; A78-Y83 HydrophobicContact CB-CG 3.97Å; Q80-Y83 HydrophobicContact CB-CD2 3.97Å; Q80-Y83 HydrophobicContact CB-CE2 4.32Å; Q80-Y83 PolarHBondContact O-N 2.79Å; E81-Y83 PolarHBondContact O-N 3.04Å; Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 3.39Å; Y83-L86 HydrophobicContact CD1-CD1 4.02Å; Y83-L86 WeakPolarHBondContact O-CB 3.35Å; Y83-L86 PolarHBondContact O-N 2.92Å
84H88.3Confident92.8Very high92 Ų9259.8 Ų59.843%0.42630%0.295SS..G310 helixtrans-58.4-37.8-177179.271.3000112.3E81 L86 A87 W115 E118E81-H84 WeakPolarHBondContact O-CB 3.2Å; E81-H84 PolarHBondContact O-N 2.91Å; H84-L86 PolarHBondContact O-N 3.38Å; H84-L86 VanDerWaalsContact O-N 3.1Å; H84-A87 VanDerWaalsContact O-CB 3.32Å; H84-A87 WeakPolarHBondContact O-CB 3.42Å; H84-A87 PolarHBondContact O-N 3.24Å; H84-W115 AromaticContact CE1-CH2 3.4Å; H84-W115 VanDerWaalsContact CE1-CH2 3.4Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.29Å; H84-W115 AromaticContact CE1-CZ2 3.84Å; H84-W115 AromaticContact CE1-CZ3 3.81Å; H84-W115 AromaticContact ND1-CH2 3.03Å; H84-W115 WeakPolarHBondContact ND1-CH2 3.17Å; H84-W115 AromaticContact ND1-CZ2 3.28Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.28Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.13Å; H84-W115 AromaticContact ND1-CZ3 3.91Å; H84-E118 IonicContact CE1-OE2 3.49Å; H84-E118 PolarHBondContact CE1-OE2 3.34Å; H84-E118 IonicContact NE2-OE2 3.48Å
85S90.8Very high92.8Very high99 Ų9962.5 Ų62.569%0.69231%0.308SS*.G310 helixtrans-63.3-15175.858.60000114.2Y83Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 3.39Å
86L93.1Very high92.8Very high62 Ų6259.1 Ų59.133%0.32530%0.295SS..G310 helixtrans-90.9-9.7174.1-53.9179.4000112.6Y83 H84 P88 M89 Y90Y83-L86 HydrophobicContact CD1-CD1 4.02Å; Y83-L86 WeakPolarHBondContact O-CB 3.35Å; Y83-L86 PolarHBondContact O-N 2.92Å; H84-L86 PolarHBondContact O-N 3.38Å; H84-L86 VanDerWaalsContact O-N 3.1Å; L86-P88 VanDerWaalsContact C-CD 3.49Å; L86-M89 HydrophobicContact CB-CG 4.28Å; L86-M89 HydrophobicContact CB-SD 4.16Å; L86-M89 HydrophobicContact CD2-SD 4.09Å; L86-M89 WeakPolarHBondContact O-CG 3.48Å; L86-M89 PolarHBondContact O-N 3.4Å; L86-Y90 HydrophobicContact CB-CE2 3.86Å; L86-Y90 WeakPolarHBondContact O-CD2 3.26Å
87A91.7Very high92.9Very high4 Ų458.9 Ų58.93%0.03329%0.294CS..Hα-helixtrans-58.4-40.3-179.200000114L27 H84 M89 Y90 Y91 W115L27-A87 HydrophobicContact CD2-CB 4.3Å; H84-A87 VanDerWaalsContact O-CB 3.32Å; H84-A87 WeakPolarHBondContact O-CB 3.42Å; H84-A87 PolarHBondContact O-N 3.24Å; A87-M89 VanDerWaalsContact C-N 3.27Å; A87-M89 PolarHBondContact O-N 3.36Å; A87-Y90 PolarHBondContact O-N 2.87Å; A87-Y91 HydrophobicContact CB-CD1 4.4Å; A87-Y91 HydrophobicContact CB-CE1 4.19Å; A87-Y91 WeakPolarHBondContact O-CD1 3.34Å; A87-Y91 PolarHBondContact O-N 3.03Å; A87-Y91 VanDerWaalsContact O-N 3.16Å; A87-W115 HydrophobicContact CB-CH2 3.28Å; A87-W115 HydrophobicContact CB-CZ2 4.5Å; A87-W115 HydrophobicContact CB-CZ3 3.44Å; A87-W115 VanDerWaalsContact CB-CZ3 3.44Å
88P94.7Very high93Very high48 Ų4858.6 Ų58.631%0.31229%0.292SS..Hα-helixtrans-57.2-35.2178-26.735.4000114.6L86 Y90 Y91 R92L86-P88 VanDerWaalsContact C-CD 3.49Å; P88-Y90 VanDerWaalsContact C-N 3.28Å; P88-Y90 PolarHBondContact O-N 3.24Å; P88-Y91 VanDerWaalsContact CA-CZ 3.46Å; P88-Y91 HydrophobicContact CB-CE1 4.35Å; P88-Y91 HydrophobicContact CB-CE2 4.42Å; P88-Y91 HydrophobicContact CG-CE1 4.3Å; P88-R92 VanDerWaalsContact O-CB 3.29Å; P88-R92 WeakPolarHBondContact O-CB 3.36Å; P88-R92 PolarHBondContact O-N 3.42Å; P88-R92 VanDerWaalsContact O-N 3.16Å
89M95.1Very high93.3Very high112 Ų11258.1 Ų58.155%0.55229%0.288SS*.Hα-helixtrans-68.8-28.517756.1170.4-67.600112.5L86 A87L86-M89 HydrophobicContact CB-CG 4.28Å; L86-M89 HydrophobicContact CB-SD 4.16Å; L86-M89 HydrophobicContact CD2-SD 4.09Å; L86-M89 WeakPolarHBondContact O-CG 3.48Å; L86-M89 PolarHBondContact O-N 3.4Å; A87-M89 VanDerWaalsContact C-N 3.27Å; A87-M89 PolarHBondContact O-N 3.36Å
90Y95.1Very high93.9Very high25 Ų2557.2 Ų57.210%0.09828%0.279CS..Hα-helixtrans-81.1-44.2-178.9-62.3-55.9000112.8K23 A56 W75 T77 L86 A87 P88 R92K23-Y90 WeakPolarHBondContact CE-O 3.35Å; K23-Y90 PolarHBondContact NZ-O 3.2Å; A56-Y90 HydrophobicContact CB-CD1 3.85Å; A56-Y90 HydrophobicContact CB-CD2 4.36Å; A56-Y90 HydrophobicContact CB-CE1 3.33Å; A56-Y90 HydrophobicContact CB-CE2 3.91Å; A56-Y90 HydrophobicContact CB-CG 4.34Å; W75-Y90 HydrophobicContact CD2-CD1 4.43Å; W75-Y90 AromaticContact CE3-CD1 3.6Å; W75-Y90 HydrophobicContact CE3-CD1 3.6Å; W75-Y90 AromaticContact CE3-CE1 3.97Å; W75-Y90 HydrophobicContact CE3-CE1 3.97Å; W75-Y90 AromaticContact CZ3-CD1 3.94Å; W75-Y90 HydrophobicContact CZ3-CD1 3.94Å; W75-Y90 AromaticContact CZ3-CE1 3.96Å; W75-Y90 HydrophobicContact CZ3-CE1 3.96Å; T77-Y90 HydrophobicContact CG2-CD2 3.73Å; T77-Y90 HydrophobicContact CG2-CG 3.82Å; L86-Y90 HydrophobicContact CB-CE2 3.86Å; L86-Y90 WeakPolarHBondContact O-CD2 3.26Å; A87-Y90 PolarHBondContact O-N 2.87Å; P88-Y90 VanDerWaalsContact C-N 3.28Å; P88-Y90 PolarHBondContact O-N 3.24Å; Y90-R92 VanDerWaalsContact C-N 3.35Å
91Y95.9Very high94.3Very high5 Ų554.4 Ų54.42%0.0227%0.266CS..Hα-helixtrans-82-10.9178.964.1-114000114L27 A87 P88 G93 A94 E118 L119 Q122 A123L27-Y91 HydrophobicContact CD1-CD1 4.15Å; A87-Y91 HydrophobicContact CB-CD1 4.4Å; A87-Y91 HydrophobicContact CB-CE1 4.19Å; A87-Y91 WeakPolarHBondContact O-CD1 3.34Å; A87-Y91 PolarHBondContact O-N 3.03Å; A87-Y91 VanDerWaalsContact O-N 3.16Å; P88-Y91 VanDerWaalsContact CA-CZ 3.46Å; P88-Y91 HydrophobicContact CB-CE1 4.35Å; P88-Y91 HydrophobicContact CB-CE2 4.42Å; P88-Y91 HydrophobicContact CG-CE1 4.3Å; Y91-G93 PolarHBondContact O-N 2.9Å; Y91-G93 VanDerWaalsContact O-N 3.16Å; Y91-A94 VanDerWaalsContact O-CB 3.29Å; Y91-A94 WeakPolarHBondContact O-CB 3.4Å; Y91-A94 PolarHBondContact O-N 3.44Å; Y91-E118 VanDerWaalsContact CE1-OE1 3.29Å; Y91-E118 WeakPolarHBondContact CE1-OE1 3.19Å; Y91-E118 PolarHBondContact OH-OE1 2.87Å; Y91-L119 HydrophobicContact CD1-CD2 4.11Å; Y91-L119 HydrophobicContact CD2-CD2 4.35Å; Y91-L119 HydrophobicContact CG-CD2 3.89Å; Y91-Q122 HydrophobicContact CE2-CB 4.02Å; Y91-Q122 PolarHBondContact OH-OE1 3.38Å; Y91-A123 HydrophobicContact CD2-CB 4.05Å; Y91-A123 HydrophobicContact CE2-CB 4.49Å
92R95.6Very high95.1Very high199 Ų19946.4 Ų46.475%0.75123%0.229SC*.THydrogen-bonded Turntrans-56.3122.2173.9-177.2176.9178.9880.7110.8K23 P88 Y90 A94K23-R92 PolarHBondContact NZ-O 3Å; P88-R92 VanDerWaalsContact O-CB 3.29Å; P88-R92 WeakPolarHBondContact O-CB 3.36Å; P88-R92 PolarHBondContact O-N 3.42Å; P88-R92 VanDerWaalsContact O-N 3.16Å; Y90-R92 VanDerWaalsContact C-N 3.35Å; R92-A94 PolarHBondContact O-N 3.24Å
93G94.5Very high95.6Very high43 Ų4338 Ų3844%0.44320%0.197SC..THydrogen-bonded Turntrans71.59.2-179.200000114.8Y91 Q95Y91-G93 PolarHBondContact O-N 2.9Å; Y91-G93 VanDerWaalsContact O-N 3.16Å; G93-Q95 PolarHBondContact O-OE1 2.81Å
94A97.6Very high96.1Very high0 Ų038 Ų380%020%0.202CC..  trans-71.8135.4171.900000110.3K23 V25 Y91 R92 I127K23-A94 HydrophobicContact CD-CB 4.32Å; K23-A94 HydrophobicContact CG-CB 4.14Å; V25-A94 HydrophobicContact CG1-CB 4.08Å; Y91-A94 VanDerWaalsContact O-CB 3.29Å; Y91-A94 WeakPolarHBondContact O-CB 3.4Å; Y91-A94 PolarHBondContact O-N 3.44Å; R92-A94 PolarHBondContact O-N 3.24Å; A94-I127 HydrophobicContact CB-CD1 4.38Å
95Q98.2Very high96.6Very high57 Ų5736.6 Ų36.627%0.26620%0.197SC..SBendtrans-90.1-18.4174.8-6094.5-27.900112.1F22 K23 G93 V128 L182F22-Q95 HydrophobicContact CD1-CB 3.96Å; F22-Q95 HydrophobicContact CD1-CG 3.95Å; K23-Q95 PolarHBondContact O-N 3.02Å; K23-Q95 PolarHBondContact O-OE1 2.82Å; G93-Q95 PolarHBondContact O-OE1 2.81Å; Q95-V128 PolarHBondContact O-N 2.69Å; Q95-L182 HydrophobicContact CB-CD2 3.78Å; Q95-L182 WeakPolarHBondContact O-CD2 3.41Å
96A98.5Very high97Very high0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-138.3152.4173.900000112.2K23 L24 V25 V128 I178 L182K23-A96 PolarHBondContact O-N 2.77Å; L24-A96 WeakPolarHBondContact CA-O 3.38Å; L24-A96 HydrophobicContact CB-CB 4.36Å; L24-A96 HydrophobicContact CD1-CB 4.17Å; L24-A96 HydrophobicContact CG-CB 4.14Å; V25-A96 PolarHBondContact N-O 2.87Å; V25-A96 VanDerWaalsContact N-O 3.09Å; A96-V128 CarbonylContact C-O 3.51Å; A96-V128 VanDerWaalsContact CA-O 3.22Å; A96-V128 WeakPolarHBondContact CA-O 3.43Å; A96-V128 HydrophobicContact CB-CB 4.43Å; A96-I178 HydrophobicContact CB-CG2 3.49Å; A96-I178 VanDerWaalsContact CB-CG2 3.49Å; A96-L182 HydrophobicContact CB-CD1 4.46Å; A96-L182 HydrophobicContact CB-CD2 4.38Å
97A98.7Very high97.2Very high0 Ų040.4 Ų40.40%020%0.202CC..EExtended strand (participates in β ladder)trans-135.9142.717000000110.9V25 L119 I127 V128 A130V25-A97 HydrophobicContact CG1-CB 3.75Å; V25-A97 CarbonylContact O-C 3.41Å; V25-A97 VanDerWaalsContact O-CA 3.25Å; V25-A97 WeakPolarHBondContact O-CA 3.29Å; A97-L119 HydrophobicContact CB-CD1 3.58Å; A97-L119 HydrophobicContact CB-CD2 4.31Å; A97-I127 HydrophobicContact CB-CD1 3.89Å; A97-V128 PolarHBondContact N-O 2.98Å; A97-A130 PolarHBondContact O-N 3.03Å
98I98.8Very high97.5Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-111.5116.9165.7-54.1178.1000107.8L24 V25 L26 L27 V100 A130 I174 F175 I178L24-I98 HydrophobicContact CD1-CD1 4.23Å; L24-I98 HydrophobicContact CD1-CG1 4.37Å; L24-I98 HydrophobicContact CD2-CD1 4.12Å; L24-I98 HydrophobicContact CD2-CG1 4.17Å; V25-I98 PolarHBondContact O-N 3.5Å; L26-I98 WeakPolarHBondContact CA-O 3.4Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L27-I98 PolarHBondContact N-O 3.35Å; I98-V100 HydrophobicContact CG2-CG2 3.8Å; I98-A130 CarbonylContact C-O 3.55Å; I98-A130 WeakPolarHBondContact CA-O 3.46Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; I98-I174 HydrophobicContact CG2-CD1 4.15Å; I98-F175 HydrophobicContact CD1-CD1 3.99Å; I98-F175 HydrophobicContact CD1-CE1 3.49Å; I98-F175 VanDerWaalsContact CD1-CE1 3.49Å; I98-F175 HydrophobicContact CD1-CE2 4.33Å; I98-F175 HydrophobicContact CD1-CZ 3.67Å; I98-I178 HydrophobicContact CD1-CD1 3.73Å; I98-I178 HydrophobicContact CG1-CD1 3.51Å
99V98.8Very high97.7Very high0 Ų038.5 Ų38.50%019%0.188CC..EExtended strand (participates in β ladder)trans-94.9116.3171.7-173.30000108L27 A112 W115 V116 L119 I129 A130 L131 S132L27-V99 CarbonylContact O-C 3.59Å; L27-V99 WeakPolarHBondContact O-CA 3.32Å; V99-A112 HydrophobicContact CG1-CB 3.62Å; V99-W115 HydrophobicContact CG1-CB 3.8Å; V99-W115 HydrophobicContact CG2-CB 4.31Å; V99-V116 HydrophobicContact CB-CG2 4.33Å; V99-V116 HydrophobicContact CG1-CG2 4.4Å; V99-V116 HydrophobicContact CG2-CG2 4.03Å; V99-L119 HydrophobicContact CG2-CD1 3.75Å; V99-I129 HydrophobicContact CG2-CG2 4.14Å; V99-A130 PolarHBondContact N-O 2.85Å; V99-L131 HydrophobicContact CB-CD1 4.39Å; V99-L131 HydrophobicContact CG1-CD1 4.45Å; V99-L131 CarbonylContact O-C 3.47Å; V99-L131 WeakPolarHBondContact O-CA 3.35Å; V99-S132 PolarHBondContact O-N 3.3Å
100V98.9Very high97.9Very high0 Ų035.6 Ų35.60%018%0.182CC..EExtended strand (participates in β ladder)trans-106.3135-174.3-170.40000110.2L26 L27 G28 V32 K34 L37 I98 S132 N134L26-V100 HydrophobicContact CD2-CG2 4.32Å; L27-V100 PolarHBondContact O-N 2.91Å; G28-V100 WeakPolarHBondContact CA-O 3.48Å; V32-V100 HydrophobicContact CB-CG1 4.34Å; V32-V100 HydrophobicContact CG2-CB 3.94Å; V32-V100 HydrophobicContact CG2-CG1 3.89Å; K34-V100 HydrophobicContact CG-CB 3.95Å; K34-V100 HydrophobicContact CG-CG2 3.97Å; L37-V100 HydrophobicContact CD2-CG2 4.2Å; I98-V100 HydrophobicContact CG2-CG2 3.8Å; V100-S132 WeakPolarHBondContact CA-O 3.32Å; V100-N134 HydrophobicContact CG1-CB 3.7Å
101Y98.9Very high98Very high0 Ų040.1 Ų40.10%020%0.199CC..EExtended strand (participates in β ladder)trans-128.1168166.574.3-85.2000110.4I103 F109 L131 S132 N134 V144 A149 F160Y101-I103 HydrophobicContact CE2-CG2 4Å; Y101-F109 AromaticContact CD1-CD2 3.85Å; Y101-F109 HydrophobicContact CD1-CD2 3.85Å; Y101-F109 HydrophobicContact CD2-CB 3.76Å; Y101-F109 HydrophobicContact CD2-CD2 4.07Å; Y101-F109 HydrophobicContact CD2-CG 4.23Å; Y101-F109 AromaticContact CE1-CD2 3.86Å; Y101-F109 HydrophobicContact CE1-CD2 3.86Å; Y101-F109 HydrophobicContact CE1-CE2 4.19Å; Y101-F109 HydrophobicContact CE2-CB 4.24Å; Y101-F109 HydrophobicContact CE2-CD2 4.11Å; Y101-F109 HydrophobicContact CE2-CG 4.33Å; Y101-F109 HydrophobicContact CG-CB 4.09Å; Y101-F109 AromaticContact CG-CD2 3.95Å; Y101-F109 HydrophobicContact CG-CD2 3.95Å; Y101-F109 HydrophobicContact CG-CG 4.46Å; Y101-L131 HydrophobicContact CD1-CD1 3.81Å; Y101-L131 HydrophobicContact CD1-CG 4.22Å; Y101-L131 HydrophobicContact CE1-CD1 4.05Å; Y101-L131 HydrophobicContact CE1-CD2 4.17Å; Y101-L131 HydrophobicContact CE1-CG 3.95Å; Y101-S132 WeakPolarHBondContact CD1-O 3.33Å; Y101-S132 PolarHBondContact N-O 2.86Å; Y101-N134 WeakPolarHBondContact O-CB 3.2Å; Y101-N134 PolarHBondContact O-N 2.99Å; Y101-V144 HydrophobicContact CD2-CG2 4.39Å; Y101-V144 HydrophobicContact CE2-CB 3.97Å; Y101-V144 HydrophobicContact CE2-CG1 3.79Å; Y101-V144 HydrophobicContact CE2-CG2 4.12Å; Y101-A149 WeakPolarHBondContact OH-CB 3.1Å; Y101-F160 HydrophobicContact CE1-CE2 4.11Å
102D98.7Very high98.2Very high12 Ų1239.9 Ų39.96%0.06420%0.198CC..EExtended strand (participates in β ladder)trans-101122.7175.6176.9-8.7000109.3V32 T104 N105 S108 K135V32-D102 HydrophobicContact CB-CB 4.46Å; V32-D102 HydrophobicContact CG1-CB 4.42Å; D102-T104 PolarHBondContact O-N 3.09Å; D102-T104 WeakPolarHBondContact OD1-CB 3.22Å; D102-T104 PolarHBondContact OD1-N 2.98Å; D102-T104 PolarHBondContact OD1-OG1 3.05Å; D102-T104 PolarHBondContact OD2-OG1 3.23Å; D102-N105 HydrophobicContact CB-CB 4.19Å; D102-N105 PolarHBondContact O-N 3.2Å; D102-N105 VanDerWaalsContact O-O 3.14Å; D102-S108 PolarHBondContact N-OG 3.27Å; D102-S108 PolarHBondContact O-OG 2.89Å; D102-K135 HydrophobicContact CB-CD 4.46Å; D102-K135 WeakPolarHBondContact OD2-CD 3.37Å; D102-K135 WeakPolarHBondContact OD2-CE 3.48Å; D102-K135 IonicContact OD2-NZ 3.94Å; D102-K135 PolarHBondContact OD2-NZ 2.96Å
103I98.8Very high98.3Very high0 Ų033.5 Ų33.50%018%0.176CC..THydrogen-bonded Turntrans-62.5-16.2-17865.2154.4000113.5Y101 N134 A143 V144 E162Y101-I103 HydrophobicContact CE2-CG2 4Å; I103-N134 PolarHBondContact N-O 3.07Å; I103-N134 VanDerWaalsContact N-O 3.08Å; I103-A143 PolarHBondContact O-N 2.95Å; I103-V144 PolarHBondContact O-N 2.84Å; I103-E162 HydrophobicContact CG2-CG 4.42Å
104T98.6Very high98.5Very high41 Ų4135.5 Ų35.525%0.25218%0.176SC..THydrogen-bonded Turntrans-92.3-1.7178.171.10000113.1D102 L138 K141 A143D102-T104 PolarHBondContact O-N 3.09Å; D102-T104 WeakPolarHBondContact OD1-CB 3.22Å; D102-T104 PolarHBondContact OD1-N 2.98Å; D102-T104 PolarHBondContact OD1-OG1 3.05Å; D102-T104 PolarHBondContact OD2-OG1 3.23Å; T104-L138 HydrophobicContact CG2-CB 3.71Å; T104-L138 HydrophobicContact CG2-CD1 4.34Å; T104-K141 WeakPolarHBondContact CA-O 3.34Å; T104-K141 WeakPolarHBondContact CB-O 3.38Å; T104-K141 HydrophobicContact CG2-CB 3.97Å; T104-A143 WeakPolarHBondContact O-CB 3.24Å
105N98.4Very high98.5Very high61 Ų6136.8 Ų36.833%0.32618%0.181SC..  trans-134106.7-177.8-178.9-11000111.7D102 E107 S108 F109D102-N105 HydrophobicContact CB-CB 4.19Å; D102-N105 PolarHBondContact O-N 3.2Å; D102-N105 VanDerWaalsContact O-O 3.14Å; N105-E107 PolarHBondContact O-N 3Å; N105-E107 WeakPolarHBondContact OD1-CB 3.24Å; N105-E107 PolarHBondContact OD1-N 3.36Å; N105-S108 WeakPolarHBondContact O-CB 3.25Å; N105-S108 PolarHBondContact O-N 3.02Å; N105-S108 PolarHBondContact O-OG 3.42Å; N105-S108 PolarHBondContact OD1-N 2.81Å; N105-F109 PolarHBondContact O-N 2.87Å
106E97.9Very high98.5Very high138 Ų13834 Ų3465%0.64517%0.168SC*.Hα-helixtrans-63.8-36.4179.3-167.8-178.6177.500113.6S108 F109 A110 V144E106-S108 VanDerWaalsContact C-N 3.27Å; E106-S108 PolarHBondContact O-N 3.11Å; E106-F109 WeakPolarHBondContact O-CB 3.34Å; E106-F109 PolarHBondContact O-N 3.28Å; E106-F109 VanDerWaalsContact O-N 3.14Å; E106-A110 PolarHBondContact O-N 2.74Å; E106-V144 HydrophobicContact CB-CG2 4.46Å
107E98.1Very high98.5Very high103 Ų10340 Ų4048%0.48119%0.194SC..Hα-helixtrans-61.2-40.8176.4-176.9173.5-175.500110.5N105 F109 A110 R111N105-E107 PolarHBondContact O-N 3Å; N105-E107 WeakPolarHBondContact OD1-CB 3.24Å; N105-E107 PolarHBondContact OD1-N 3.36Å; E107-F109 PolarHBondContact O-N 2.83Å; E107-A110 WeakPolarHBondContact O-CB 3.4Å; E107-A110 PolarHBondContact O-N 3Å; E107-R111 HydrophobicContact CG-CG 4.34Å; E107-R111 WeakPolarHBondContact O-CG 3.41Å; E107-R111 PolarHBondContact O-N 3.28Å; E107-R111 IonicContact OE1-CZ 3.71Å; E107-R111 IonicContact OE1-NE 3.26Å; E107-R111 PolarHBondContact OE1-NE 2.98Å; E107-R111 IonicContact OE1-NH2 3Å; E107-R111 PolarHBondContact OE1-NH2 3.41Å
108S98.6Very high98.4Very high1 Ų141.4 Ų41.41%0.00720%0.201CC..Hα-helixtrans-61.6-33.7178.982.10000112.4E29 D102 N105 E106 R111 A112E29-S108 VanDerWaalsContact OE2-CA 3.23Å; E29-S108 WeakPolarHBondContact OE2-CA 3.44Å; E29-S108 VanDerWaalsContact OE2-CB 3.29Å; E29-S108 WeakPolarHBondContact OE2-CB 3.36Å; D102-S108 PolarHBondContact N-OG 3.27Å; D102-S108 PolarHBondContact O-OG 2.89Å; N105-S108 WeakPolarHBondContact O-CB 3.25Å; N105-S108 PolarHBondContact O-N 3.02Å; N105-S108 PolarHBondContact O-OG 3.42Å; N105-S108 PolarHBondContact OD1-N 2.81Å; E106-S108 VanDerWaalsContact C-N 3.27Å; E106-S108 PolarHBondContact O-N 3.11Å; S108-R111 PolarHBondContact O-N 2.56Å; S108-A112 WeakPolarHBondContact O-CB 3.19Å; S108-A112 PolarHBondContact O-N 2.98Å
109F98.8Very high98.4Very high12 Ų1241.4 Ų41.45%0.05320%0.201CC..Hα-helixtrans-71.1-42173.8-179.3-132.3000111.6Y101 N105 E106 E107 R111 A112 K113 L131 V144 A149 Y152Y101-F109 AromaticContact CD1-CD2 3.85Å; Y101-F109 HydrophobicContact CD1-CD2 3.85Å; Y101-F109 HydrophobicContact CD2-CB 3.76Å; Y101-F109 HydrophobicContact CD2-CD2 4.07Å; Y101-F109 HydrophobicContact CD2-CG 4.23Å; Y101-F109 AromaticContact CE1-CD2 3.86Å; Y101-F109 HydrophobicContact CE1-CD2 3.86Å; Y101-F109 HydrophobicContact CE1-CE2 4.19Å; Y101-F109 HydrophobicContact CE2-CB 4.24Å; Y101-F109 HydrophobicContact CE2-CD2 4.11Å; Y101-F109 HydrophobicContact CE2-CG 4.33Å; Y101-F109 HydrophobicContact CG-CB 4.09Å; Y101-F109 AromaticContact CG-CD2 3.95Å; Y101-F109 HydrophobicContact CG-CD2 3.95Å; Y101-F109 HydrophobicContact CG-CG 4.46Å; N105-F109 PolarHBondContact O-N 2.87Å; E106-F109 WeakPolarHBondContact O-CB 3.34Å; E106-F109 PolarHBondContact O-N 3.28Å; E106-F109 VanDerWaalsContact O-N 3.14Å; E107-F109 PolarHBondContact O-N 2.83Å; F109-R111 VanDerWaalsContact C-N 3.29Å; F109-R111 PolarHBondContact O-N 2.83Å; F109-A112 WeakPolarHBondContact O-CB 3.37Å; F109-A112 PolarHBondContact O-N 2.9Å; F109-A112 VanDerWaalsContact O-N 3.14Å; F109-K113 VanDerWaalsContact CE1-NZ 3.28Å; F109-K113 HydrophobicContact CE2-CG 4.4Å; F109-K113 HydrophobicContact CZ-CD 4.46Å; F109-K113 WeakPolarHBondContact O-CG 3.45Å; F109-K113 PolarHBondContact O-N 2.79Å; F109-L131 HydrophobicContact CE2-CD2 4.04Å; F109-V144 HydrophobicContact CB-CG1 4.32Å; F109-V144 HydrophobicContact CB-CG2 3.79Å; F109-V144 HydrophobicContact CD1-CG1 3.61Å; F109-V144 HydrophobicContact CD1-CG2 4.3Å; F109-V144 HydrophobicContact CD2-CG1 4.5Å; F109-V144 HydrophobicContact CE1-CG1 3.93Å; F109-V144 HydrophobicContact CG-CG1 3.91Å; F109-V144 HydrophobicContact CG-CG2 4.29Å; F109-A149 HydrophobicContact CE2-CB 4.18Å; F109-A149 HydrophobicContact CZ-CB 4.02Å; F109-Y152 HydrophobicContact CE2-CD1 4.27Å; F109-Y152 HydrophobicContact CZ-CD1 4.3Å; F109-Y152 HydrophobicContact CZ-CG 4.33Å
110A98.5Very high98.2Very high50 Ų5046 Ų4641%0.41322%0.222SC..Hα-helixtrans-58.6-41.4172.800000111.9E106 E107 K113 N114E106-A110 PolarHBondContact O-N 2.74Å; E107-A110 WeakPolarHBondContact O-CB 3.4Å; E107-A110 PolarHBondContact O-N 3Å; A110-K113 PolarHBondContact O-N 3.13Å; A110-N114 PolarHBondContact O-N 3.49Å
111R98.1Very high98.1Very high121 Ų12156.3 Ų56.346%0.45726%0.261SS..Hα-helixtrans-65.4-39.4173.9-63-63.2180173.6-1.3112.2E107 S108 F109 K113 N114 W115E107-R111 HydrophobicContact CG-CG 4.34Å; E107-R111 WeakPolarHBondContact O-CG 3.41Å; E107-R111 PolarHBondContact O-N 3.28Å; E107-R111 IonicContact OE1-CZ 3.71Å; E107-R111 IonicContact OE1-NE 3.26Å; E107-R111 PolarHBondContact OE1-NE 2.98Å; E107-R111 IonicContact OE1-NH2 3Å; E107-R111 PolarHBondContact OE1-NH2 3.41Å; S108-R111 PolarHBondContact O-N 2.56Å; F109-R111 VanDerWaalsContact C-N 3.29Å; F109-R111 PolarHBondContact O-N 2.83Å; R111-K113 VanDerWaalsContact C-N 3.33Å; R111-K113 PolarHBondContact O-N 2.87Å; R111-N114 WeakPolarHBondContact O-CB 3.36Å; R111-N114 PolarHBondContact O-N 3.46Å; R111-N114 VanDerWaalsContact O-N 3.14Å; R111-W115 PolarHBondContact O-N 2.86Å; R111-W115 VanDerWaalsContact O-N 3.1Å
112A98.5Very high97.9Very high0 Ų061.4 Ų61.40%029%0.285CS..Hα-helixtrans-60.1-41.2174.300000112.2V99 S108 F109 N114 W115 V116 L131V99-A112 HydrophobicContact CG1-CB 3.62Å; S108-A112 WeakPolarHBondContact O-CB 3.19Å; S108-A112 PolarHBondContact O-N 2.98Å; F109-A112 WeakPolarHBondContact O-CB 3.37Å; F109-A112 PolarHBondContact O-N 2.9Å; F109-A112 VanDerWaalsContact O-N 3.14Å; A112-N114 PolarHBondContact O-N 3.37Å; A112-W115 WeakPolarHBondContact O-CB 3.29Å; A112-W115 PolarHBondContact O-N 3.09Å; A112-W115 VanDerWaalsContact O-N 3.13Å; A112-V116 WeakPolarHBondContact O-CG2 3.42Å; A112-V116 PolarHBondContact O-N 3.44Å; A112-L131 HydrophobicContact CB-CD1 4.15Å
113K98.6Very high97.7Very high65 Ų6561.7 Ų61.728%0.28329%0.289SS..Hα-helixtrans-59.2-36.4174.4-63.3-177.7179.4174.80112.4F109 A110 R111 V116 K117 Y152F109-K113 VanDerWaalsContact CE1-NZ 3.28Å; F109-K113 HydrophobicContact CE2-CG 4.4Å; F109-K113 HydrophobicContact CZ-CD 4.46Å; F109-K113 WeakPolarHBondContact O-CG 3.45Å; F109-K113 PolarHBondContact O-N 2.79Å; A110-K113 PolarHBondContact O-N 3.13Å; R111-K113 VanDerWaalsContact C-N 3.33Å; R111-K113 PolarHBondContact O-N 2.87Å; K113-V116 PolarHBondContact O-N 2.58Å; K113-K117 WeakPolarHBondContact O-CG 2.97Å; K113-K117 PolarHBondContact O-N 3.31Å; K113-K117 VanDerWaalsContact O-N 3.12Å; K113-Y152 WeakPolarHBondContact CA-OH 3.22Å; K113-Y152 HydrophobicContact CB-CE1 4.44Å; K113-Y152 HydrophobicContact CB-CE2 4.27Å; K113-Y152 HydrophobicContact CD-CD2 4.06Å; K113-Y152 HydrophobicContact CD-CE2 3.89Å; K113-Y152 HydrophobicContact CD-CG 4.49Å; K113-Y152 HydrophobicContact CG-CD1 4.25Å; K113-Y152 HydrophobicContact CG-CD2 4.26Å; K113-Y152 HydrophobicContact CG-CE1 3.78Å; K113-Y152 HydrophobicContact CG-CE2 3.79Å; K113-Y152 HydrophobicContact CG-CG 4.48Å
114N98.1Very high97.4Very high84 Ų8464 Ų6445%0.44931%0.305SS..Hα-helixtrans-68-40.9175.9-64.5-25.8000111.8A110 R111 A112 V116 K117 E118A110-N114 PolarHBondContact O-N 3.49Å; R111-N114 WeakPolarHBondContact O-CB 3.36Å; R111-N114 PolarHBondContact O-N 3.46Å; R111-N114 VanDerWaalsContact O-N 3.14Å; A112-N114 PolarHBondContact O-N 3.37Å; N114-V116 PolarHBondContact O-N 3.39Å; N114-K117 PolarHBondContact O-N 2.9Å; N114-E118 PolarHBondContact O-N 2.88Å
115W98Very high96.9Very high27 Ų2768.3 Ų68.310%0.10233%0.334CS..Hα-helixtrans-61.3-41.9173.7-78.2117.8000112.8L27 H84 A87 V99 R111 A112 E118 L119L27-W115 HydrophobicContact CB-CD2 4.11Å; L27-W115 HydrophobicContact CB-CE3 4.36Å; L27-W115 HydrophobicContact CB-CG 4.23Å; L27-W115 HydrophobicContact CD1-CD2 4.49Å; L27-W115 HydrophobicContact CD1-CE3 3.94Å; L27-W115 HydrophobicContact CD1-CZ3 4.39Å; L27-W115 HydrophobicContact CD2-CE3 4.26Å; L27-W115 HydrophobicContact CD2-CH2 4.29Å; L27-W115 HydrophobicContact CD2-CZ3 4.11Å; L27-W115 HydrophobicContact CG-CE3 4.43Å; H84-W115 AromaticContact CE1-CH2 3.4Å; H84-W115 VanDerWaalsContact CE1-CH2 3.4Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.29Å; H84-W115 AromaticContact CE1-CZ2 3.84Å; H84-W115 AromaticContact CE1-CZ3 3.81Å; H84-W115 AromaticContact ND1-CH2 3.03Å; H84-W115 WeakPolarHBondContact ND1-CH2 3.17Å; H84-W115 AromaticContact ND1-CZ2 3.28Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.28Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.13Å; H84-W115 AromaticContact ND1-CZ3 3.91Å; A87-W115 HydrophobicContact CB-CH2 3.28Å; A87-W115 HydrophobicContact CB-CZ2 4.5Å; A87-W115 HydrophobicContact CB-CZ3 3.44Å; A87-W115 VanDerWaalsContact CB-CZ3 3.44Å; V99-W115 HydrophobicContact CG1-CB 3.8Å; V99-W115 HydrophobicContact CG2-CB 4.31Å; R111-W115 PolarHBondContact O-N 2.86Å; R111-W115 VanDerWaalsContact O-N 3.1Å; A112-W115 WeakPolarHBondContact O-CB 3.29Å; A112-W115 PolarHBondContact O-N 3.09Å; A112-W115 VanDerWaalsContact O-N 3.13Å; W115-E118 PolarHBondContact O-N 2.9Å; W115-L119 WeakPolarHBondContact O-CG 3.3Å; W115-L119 PolarHBondContact O-N 2.98Å
116V98.4Very high96.5Very high0 Ų072.6 Ų72.60%036%0.357CS..Hα-helixtrans-58.8-49.3175.3170.30000110.6V99 A112 K113 N114 E118 L119 Q120 I129 Y152 L158V99-V116 HydrophobicContact CB-CG2 4.33Å; V99-V116 HydrophobicContact CG1-CG2 4.4Å; V99-V116 HydrophobicContact CG2-CG2 4.03Å; A112-V116 WeakPolarHBondContact O-CG2 3.42Å; A112-V116 PolarHBondContact O-N 3.44Å; K113-V116 PolarHBondContact O-N 2.58Å; N114-V116 PolarHBondContact O-N 3.39Å; V116-E118 VanDerWaalsContact C-N 3.29Å; V116-E118 PolarHBondContact O-N 3.38Å; V116-L119 PolarHBondContact O-N 3.4Å; V116-Q120 HydrophobicContact CG1-CG 4.48Å; V116-Q120 WeakPolarHBondContact O-CG 3.48Å; V116-Q120 PolarHBondContact O-N 2.81Å; V116-I129 HydrophobicContact CG2-CG2 4.49Å; V116-Y152 HydrophobicContact CG2-CE1 4.41Å; V116-L158 HydrophobicContact CG1-CD1 3.96Å; V116-L158 HydrophobicContact CG1-CD2 3.94Å; V116-L158 HydrophobicContact CG2-CD1 3.88Å
117K97.9Very high96.5Very high124 Ų12467.1 Ų67.154%0.53933%0.332SS..Hα-helixtrans-59.8-39.8177.1-70.6173-177.6177.20112.2K113 N114 R121K113-K117 WeakPolarHBondContact O-CG 2.97Å; K113-K117 PolarHBondContact O-N 3.31Å; K113-K117 VanDerWaalsContact O-N 3.12Å; N114-K117 PolarHBondContact O-N 2.9Å; K117-R121 WeakPolarHBondContact O-CB 3.31Å; K117-R121 PolarHBondContact O-N 2.86Å; K117-R121 VanDerWaalsContact O-N 3.14Å
118E97Very high96.5Very high30 Ų3063 Ų6314%0.1431%0.313CS..Hα-helixtrans-64.8-47.6177.6-173.2177.4150.600111.7H84 Y91 N114 W115 V116 Q120 R121 Q122H84-E118 IonicContact CE1-OE2 3.49Å; H84-E118 PolarHBondContact CE1-OE2 3.34Å; H84-E118 IonicContact NE2-OE2 3.48Å; Y91-E118 VanDerWaalsContact CE1-OE1 3.29Å; Y91-E118 WeakPolarHBondContact CE1-OE1 3.19Å; Y91-E118 PolarHBondContact OH-OE1 2.87Å; N114-E118 PolarHBondContact O-N 2.88Å; W115-E118 PolarHBondContact O-N 2.9Å; V116-E118 VanDerWaalsContact C-N 3.29Å; V116-E118 PolarHBondContact O-N 3.38Å; E118-Q120 PolarHBondContact O-N 3.16Å; E118-R121 PolarHBondContact O-N 3.16Å; E118-R121 VanDerWaalsContact O-N 3.11Å; E118-Q122 PolarHBondContact O-N 2.82Å
119L97.9Very high96.5Very high1 Ų163.6 Ų63.61%0.00532%0.316CS..Hα-helixtrans-59-46.3176.9-74172.8000111.5L27 Y91 A97 V99 W115 V116 R121 Q122 A123 I127 I129L27-L119 HydrophobicContact CD1-CD1 4.02Å; L27-L119 HydrophobicContact CD1-CD2 3.73Å; L27-L119 HydrophobicContact CD1-CG 3.98Å; Y91-L119 HydrophobicContact CD1-CD2 4.11Å; Y91-L119 HydrophobicContact CD2-CD2 4.35Å; Y91-L119 HydrophobicContact CG-CD2 3.89Å; A97-L119 HydrophobicContact CB-CD1 3.58Å; A97-L119 HydrophobicContact CB-CD2 4.31Å; V99-L119 HydrophobicContact CG2-CD1 3.75Å; W115-L119 WeakPolarHBondContact O-CG 3.3Å; W115-L119 PolarHBondContact O-N 2.98Å; V116-L119 PolarHBondContact O-N 3.4Å; L119-R121 PolarHBondContact O-N 2.82Å; L119-Q122 PolarHBondContact O-N 3.28Å; L119-A123 HydrophobicContact CB-CB 4.39Å; L119-A123 HydrophobicContact CD2-CB 3.95Å; L119-A123 WeakPolarHBondContact O-CA 3.46Å; L119-A123 WeakPolarHBondContact O-CB 3.12Å; L119-A123 PolarHBondContact O-N 3.48Å; L119-I127 HydrophobicContact CD2-CD1 4.21Å; L119-I129 HydrophobicContact CB-CD1 3.78Å; L119-I129 HydrophobicContact CD1-CD1 4.18Å; L119-I129 HydrophobicContact CD1-CG1 4.36Å; L119-I129 HydrophobicContact CD1-CG2 4.19Å
120Q96.5Very high96.5Very high97 Ų9763 Ų6345%0.45331%0.314SS..Hα-helixtrans-60.6-30.8177.5-73171-23.200112.6V116 E118 I129V116-Q120 HydrophobicContact CG1-CG 4.48Å; V116-Q120 WeakPolarHBondContact O-CG 3.48Å; V116-Q120 PolarHBondContact O-N 2.81Å; E118-Q120 PolarHBondContact O-N 3.16Å; Q120-I129 HydrophobicContact CG-CD1 4.08Å
121R96Very high96.5Very high216 Ų21660.7 Ų60.782%0.81529%0.294SS*.Hα-helixtrans-85.4-37.5-179.3-176178.2176.2-174.1-0.4113.6K117 E118 L119K117-R121 WeakPolarHBondContact O-CB 3.31Å; K117-R121 PolarHBondContact O-N 2.86Å; K117-R121 VanDerWaalsContact O-N 3.14Å; E118-R121 PolarHBondContact O-N 3.16Å; E118-R121 VanDerWaalsContact O-N 3.11Å; L119-R121 PolarHBondContact O-N 2.82Å
122Q94.9Very high96.5Very high107 Ų10754.9 Ų54.950%0.527%0.272SS..Hα-helixtrans-120.7-20.3-164.5-57.7-167.235.700114.7Y91 E118 L119Y91-Q122 HydrophobicContact CE2-CB 4.02Å; Y91-Q122 PolarHBondContact OH-OE1 3.38Å; E118-Q122 PolarHBondContact O-N 2.82Å; L119-Q122 PolarHBondContact O-N 3.28Å
123A94.9Very high96.5Very high18 Ų1854.9 Ų54.915%0.14927%0.272CS..SBendtrans-81.4-177.3179.400000111.6Y91 L119 I127Y91-A123 HydrophobicContact CD2-CB 4.05Å; Y91-A123 HydrophobicContact CE2-CB 4.49Å; L119-A123 HydrophobicContact CB-CB 4.39Å; L119-A123 HydrophobicContact CD2-CB 3.95Å; L119-A123 WeakPolarHBondContact O-CA 3.46Å; L119-A123 WeakPolarHBondContact O-CB 3.12Å; L119-A123 PolarHBondContact O-N 3.48Å; A123-I127 HydrophobicContact CB-CD1 3.91Å; A123-I127 HydrophobicContact CB-CG2 4.14Å
124S90.9Very high96.6Very high48 Ų4852 Ų5234%0.33626%0.26SS..  trans-61.9136.7177.3-66.60000111N126 I127S124-N126 PolarHBondContact O-N 2.76Å; S124-I127 WeakPolarHBondContact O-CB 3.42Å; S124-I127 VanDerWaalsContact O-CG2 3.24Å; S124-I127 WeakPolarHBondContact O-CG2 3.44Å; S124-I127 PolarHBondContact O-N 3.45Å
125P87.9Confident96.6Very high132 Ų13250.5 Ų50.586%0.85725%0.249SC*.THydrogen-bonded Turntrans-56.1-24.5-175.4-28.834.9000115.7
126N91.1Very high96.6Very high151 Ų15149.7 Ų49.781%0.80725%0.248SC*.THydrogen-bonded Turntrans-107.421.3-178.7-60.5-36.5000112.9S124 V128S124-N126 PolarHBondContact O-N 2.76Å; N126-V128 PolarHBondContact O-N 2.86Å
127I96.9Very high96.6Very high23 Ų2352.3 Ų52.312%0.11826%0.263CS..  trans-64.2130.1178.2-169170.7000110.4A94 A97 L119 A123 S124 I129A94-I127 HydrophobicContact CB-CD1 4.38Å; A97-I127 HydrophobicContact CB-CD1 3.89Å; L119-I127 HydrophobicContact CD2-CD1 4.21Å; A123-I127 HydrophobicContact CB-CD1 3.91Å; A123-I127 HydrophobicContact CB-CG2 4.14Å; S124-I127 WeakPolarHBondContact O-CB 3.42Å; S124-I127 VanDerWaalsContact O-CG2 3.24Å; S124-I127 WeakPolarHBondContact O-CG2 3.44Å; S124-I127 PolarHBondContact O-N 3.45Å; I127-I129 HydrophobicContact CG2-CD1 4.08Å; I127-I129 HydrophobicContact CG2-CG1 3.89Å; I127-I129 PolarHBondContact O-N 2.76Å
128V98.2Very high96.6Very high15 Ų1549.2 Ų49.29%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-80.7115.9171.2177.80000108.4Q95 A96 A97 N126 L159 I178 K181 L182Q95-V128 PolarHBondContact O-N 2.69Å; A96-V128 CarbonylContact C-O 3.51Å; A96-V128 VanDerWaalsContact CA-O 3.22Å; A96-V128 WeakPolarHBondContact CA-O 3.43Å; A96-V128 HydrophobicContact CB-CB 4.43Å; A97-V128 PolarHBondContact N-O 2.98Å; N126-V128 PolarHBondContact O-N 2.86Å; V128-L159 HydrophobicContact CG1-CD1 3.86Å; V128-I178 HydrophobicContact CG1-CG2 4.43Å; V128-K181 HydrophobicContact CG1-CB 4.2Å; V128-K181 HydrophobicContact CG1-CD 4.14Å; V128-K181 HydrophobicContact CG1-CG 4.28Å; V128-K181 HydrophobicContact CG2-CB 4.3Å; V128-K181 HydrophobicContact CG2-CG 4.13Å; V128-L182 HydrophobicContact CB-CD2 4.48Å; V128-L182 HydrophobicContact CG2-CD2 3.99Å; V128-L182 HydrophobicContact CG2-CG 4.43Å
129I98.6Very high96.6Very high15 Ų1550.1 Ų50.18%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-104.2128.4178.5-50.7178000109.4V99 V116 L119 Q120 I127 L158 L159V99-I129 HydrophobicContact CG2-CG2 4.14Å; V116-I129 HydrophobicContact CG2-CG2 4.49Å; L119-I129 HydrophobicContact CB-CD1 3.78Å; L119-I129 HydrophobicContact CD1-CD1 4.18Å; L119-I129 HydrophobicContact CD1-CG1 4.36Å; L119-I129 HydrophobicContact CD1-CG2 4.19Å; Q120-I129 HydrophobicContact CG-CD1 4.08Å; I127-I129 HydrophobicContact CG2-CD1 4.08Å; I127-I129 HydrophobicContact CG2-CG1 3.89Å; I127-I129 PolarHBondContact O-N 2.76Å; I129-L158 HydrophobicContact CB-CD2 3.88Å; I129-L158 HydrophobicContact CG2-CD2 3.9Å; I129-L159 PolarHBondContact O-N 3.39Å
130A98.8Very high96.6Very high0 Ų055.8 Ų55.80%030%0.304CS..EExtended strand (participates in β ladder)trans-114.6131.9169.400000110.4A97 I98 V99 L159 I174 I178A97-A130 PolarHBondContact O-N 3.03Å; I98-A130 CarbonylContact C-O 3.55Å; I98-A130 WeakPolarHBondContact CA-O 3.46Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; V99-A130 PolarHBondContact N-O 2.85Å; A130-L159 CarbonylContact C-O 3.59Å; A130-L159 VanDerWaalsContact CA-O 3.29Å; A130-L159 WeakPolarHBondContact CA-O 3.24Å; A130-L159 HydrophobicContact CB-CB 3.86Å; A130-I174 HydrophobicContact CB-CD1 4.11Å; A130-I174 HydrophobicContact CB-CG1 4.15Å; A130-I178 HydrophobicContact CB-CD1 3.82Å; A130-I178 HydrophobicContact CB-CG1 4.06Å
131L98.9Very high96.6Very high0 Ų058.2 Ų58.20%031%0.313CS..EExtended strand (participates in β ladder)trans-93.7130.6168.9-178.369.4000108.8V99 Y101 F109 A112 Y152 A153 L158 L159 F160 M161V99-L131 HydrophobicContact CB-CD1 4.39Å; V99-L131 HydrophobicContact CG1-CD1 4.45Å; V99-L131 CarbonylContact O-C 3.47Å; V99-L131 WeakPolarHBondContact O-CA 3.35Å; Y101-L131 HydrophobicContact CD1-CD1 3.81Å; Y101-L131 HydrophobicContact CD1-CG 4.22Å; Y101-L131 HydrophobicContact CE1-CD1 4.05Å; Y101-L131 HydrophobicContact CE1-CD2 4.17Å; Y101-L131 HydrophobicContact CE1-CG 3.95Å; F109-L131 HydrophobicContact CE2-CD2 4.04Å; A112-L131 HydrophobicContact CB-CD1 4.15Å; L131-Y152 HydrophobicContact CD2-CD1 4.03Å; L131-Y152 HydrophobicContact CD2-CE1 4.49Å; L131-A153 HydrophobicContact CD2-CB 4.4Å; L131-L158 HydrophobicContact CB-CD1 4.11Å; L131-L159 PolarHBondContact N-O 2.64Å; L131-F160 HydrophobicContact CB-CD2 3.99Å; L131-F160 HydrophobicContact CD2-CD2 3.8Å; L131-F160 HydrophobicContact CD2-CE2 4.16Å; L131-F160 HydrophobicContact CG-CD2 3.87Å; L131-F160 HydrophobicContact CG-CE2 4.31Å; L131-F160 WeakPolarHBondContact O-CA 3.39Å; L131-F160 WeakPolarHBondContact O-CD2 3.44Å; L131-M161 PolarHBondContact O-N 2.84Å
132S98.9Very high96.7Very high0 Ų051.5 Ų51.50%029%0.288CS..EExtended strand (participates in β ladder)trans-123113.9179.6-175.60000110.8V99 V100 Y101 N134 M161 T163V99-S132 PolarHBondContact O-N 3.3Å; V100-S132 WeakPolarHBondContact CA-O 3.32Å; Y101-S132 WeakPolarHBondContact CD1-O 3.33Å; Y101-S132 PolarHBondContact N-O 2.86Å; S132-N134 PolarHBondContact O-N 3.31Å; S132-M161 WeakPolarHBondContact CA-O 3.48Å; S132-T163 WeakPolarHBondContact OG-CG2 3.43Å; S132-T163 PolarHBondContact OG-OG1 2.66Å
133G98.8Very high96.9Very high0 Ų048.9 Ų48.90%028%0.284CS..EExtended strand (participates in β ladder)trans-83.993.2168.800000109.7M161 E162 T163G133-M161 PolarHBondContact N-O 2.96Å; G133-M161 VanDerWaalsContact N-O 3.11Å; G133-E162 CarbonylContact O-C 3.54Å; G133-E162 WeakPolarHBondContact O-CA 3.4Å; G133-T163 PolarHBondContact O-N 2.87Å
134N98.8Very high97.1Very high3 Ų348.2 Ų48.22%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-84.5166.7-174.8-170.833.5000112.1V32 V100 Y101 I103 S132 T163 A165V32-N134 PolarHBondContact O-ND2 2.91Å; V100-N134 HydrophobicContact CG1-CB 3.7Å; Y101-N134 WeakPolarHBondContact O-CB 3.2Å; Y101-N134 PolarHBondContact O-N 2.99Å; I103-N134 PolarHBondContact N-O 3.07Å; I103-N134 VanDerWaalsContact N-O 3.08Å; S132-N134 PolarHBondContact O-N 3.31Å; N134-T163 CarbonylContact C-O 3.55Å; N134-T163 VanDerWaalsContact CA-O 3.26Å; N134-T163 WeakPolarHBondContact CA-O 3.48Å; N134-T163 PolarHBondContact OD1-O 3.08Å; N134-T163 PolarHBondContact OD1-OG1 2.85Å; N134-A165 PolarHBondContact OD1-N 3.25Å
135K98.6Very high97.4Very high53 Ų5349.8 Ų49.823%0.2328%0.283CS..  trans67.634.6-175.8-44.8-171-165.11690113.3A31 D102 D137 L138 T163A31-K135 WeakPolarHBondContact O-CE 3.33Å; A31-K135 PolarHBondContact O-NZ 2.94Å; D102-K135 HydrophobicContact CB-CD 4.46Å; D102-K135 WeakPolarHBondContact OD2-CD 3.37Å; D102-K135 WeakPolarHBondContact OD2-CE 3.48Å; D102-K135 IonicContact OD2-NZ 3.94Å; D102-K135 PolarHBondContact OD2-NZ 2.96Å; K135-D137 WeakPolarHBondContact CA-OD1 3.42Å; K135-D137 PolarHBondContact O-N 3.06Å; K135-L138 HydrophobicContact CB-CD1 4.28Å; K135-L138 HydrophobicContact CD-CD1 4.35Å; K135-L138 WeakPolarHBondContact O-CB 3.47Å; K135-L138 PolarHBondContact O-N 2.8Å; K135-T163 PolarHBondContact N-O 3.25Å
136A98.6Very high97.9Very high10 Ų1047.4 Ų47.48%0.08326%0.259CS..G310 helixtrans-55.6-22.2174.700000113.8L138 A139 E162 T163 M169A136-L138 PolarHBondContact O-N 3.23Å; A136-A139 WeakPolarHBondContact O-CB 3.4Å; A136-A139 PolarHBondContact O-N 3.39Å; A136-E162 HydrophobicContact CB-CB 4.18Å; A136-T163 WeakPolarHBondContact CB-O 3.47Å; A136-T163 PolarHBondContact N-O 3.17Å; A136-M169 HydrophobicContact CB-SD 3.95Å
137D98.5Very high98.2Very high56 Ų5645.7 Ų45.730%0.29925%0.246SC..G310 helixtrans-63-16.5171.256.9-76.4000114K135 S164 K166 T167K135-D137 WeakPolarHBondContact CA-OD1 3.42Å; K135-D137 PolarHBondContact O-N 3.06Å; D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.32Å; D137-S164 WeakPolarHBondContact OD1-CB 3.48Å; D137-S164 PolarHBondContact OD1-OG 3.46Å; D137-K166 WeakPolarHBondContact OD2-CD 3.29Å; D137-T167 HydrophobicContact CB-CG2 3.78Å
138L97.9Very high98.3Very high58 Ų5849.5 Ų49.530%0.30427%0.267SS..G310 helixtrans-102.728176.9-57.3-179.5000112.6T104 K135 A136 S140 K141T104-L138 HydrophobicContact CG2-CB 3.71Å; T104-L138 HydrophobicContact CG2-CD1 4.34Å; K135-L138 HydrophobicContact CB-CD1 4.28Å; K135-L138 HydrophobicContact CD-CD1 4.35Å; K135-L138 WeakPolarHBondContact O-CB 3.47Å; K135-L138 PolarHBondContact O-N 2.8Å; A136-L138 PolarHBondContact O-N 3.23Å; L138-S140 PolarHBondContact O-N 3.21Å; L138-K141 PolarHBondContact O-N 2.96Å
139A96.8Very high98.3Very high50 Ų5048.8 Ų48.841%0.41326%0.263SS..G310 helixtrans-52.9-26.1-178.200000114.5A136 K141 R142A136-A139 WeakPolarHBondContact O-CB 3.4Å; A136-A139 PolarHBondContact O-N 3.39Å; A139-K141 PolarHBondContact O-N 3.38Å; A139-R142 WeakPolarHBondContact O-CB 3.47Å; A139-R142 PolarHBondContact O-N 3.13Å
140S97.7Very high98.3Very high120 Ų12050.2 Ų50.284%0.83927%0.269SS*.G310 helixtrans-68-14.9174.867.90000114.3L138L138-S140 PolarHBondContact O-N 3.21Å
141K97.8Very high98.3Very high147 Ų14752.3 Ų52.364%0.63928%0.284SS*.G310 helixtrans-112.419.8177.1-60.9-177.6179.6-179.30111.7T104 L138 A139 A143T104-K141 WeakPolarHBondContact CA-O 3.34Å; T104-K141 WeakPolarHBondContact CB-O 3.38Å; T104-K141 HydrophobicContact CG2-CB 3.97Å; L138-K141 PolarHBondContact O-N 2.96Å; A139-K141 PolarHBondContact O-N 3.38Å; K141-A143 PolarHBondContact O-N 3.02Å
142R98.1Very high98.3Very high76 Ų7653.6 Ų53.629%0.28729%0.289SS..  trans-57.2130.5-177.5177.1179.7-67.1-79.33.4110.9A139 V144 E162A139-R142 WeakPolarHBondContact O-CB 3.47Å; A139-R142 PolarHBondContact O-N 3.13Å; R142-V144 WeakPolarHBondContact CD-O 3.38Å; R142-V144 WeakPolarHBondContact CG-O 3.12Å; R142-V144 PolarHBondContact NH1-O 2.85Å; R142-E162 IonicContact CZ-OE1 3.76Å; R142-E162 VanDerWaalsContact CZ-OE1 3.26Å; R142-E162 IonicContact CZ-OE2 3.03Å; R142-E162 IonicContact NH1-OE1 3.88Å; R142-E162 PolarHBondContact NH1-OE1 3.35Å; R142-E162 IonicContact NH1-OE2 2.67Å; R142-E162 VanDerWaalsContact NH2-CD 3.29Å; R142-E162 IonicContact NH2-OE1 2.76Å; R142-E162 PolarHBondContact NH2-OE1 2.8Å; R142-E162 IonicContact NH2-OE2 2.64Å; R142-E162 PolarHBondContact NH2-OE2 3.03Å
143A98.3Very high98.2Very high51 Ų5153.6 Ų53.642%0.42129%0.289SS..  trans-112.6-19171.200000112.1I103 T104 K141I103-A143 PolarHBondContact O-N 2.95Å; T104-A143 WeakPolarHBondContact O-CB 3.24Å; K141-A143 PolarHBondContact O-N 3.02Å
144V98.3Very high98.2Very high5 Ų558 Ų583%0.0331%0.313CS..SBendtrans-112.6120.2178.2-177.30000109.1Y101 I103 E106 F109 R142 A149Y101-V144 HydrophobicContact CD2-CG2 4.39Å; Y101-V144 HydrophobicContact CE2-CB 3.97Å; Y101-V144 HydrophobicContact CE2-CG1 3.79Å; Y101-V144 HydrophobicContact CE2-CG2 4.12Å; I103-V144 PolarHBondContact O-N 2.84Å; E106-V144 HydrophobicContact CB-CG2 4.46Å; F109-V144 HydrophobicContact CB-CG1 4.32Å; F109-V144 HydrophobicContact CB-CG2 3.79Å; F109-V144 HydrophobicContact CD1-CG1 3.61Å; F109-V144 HydrophobicContact CD1-CG2 4.3Å; F109-V144 HydrophobicContact CD2-CG1 4.5Å; F109-V144 HydrophobicContact CE1-CG1 3.93Å; F109-V144 HydrophobicContact CG-CG1 3.91Å; F109-V144 HydrophobicContact CG-CG2 4.29Å; R142-V144 WeakPolarHBondContact CD-O 3.38Å; R142-V144 WeakPolarHBondContact CG-O 3.12Å; R142-V144 PolarHBondContact NH1-O 2.85Å; V144-A149 HydrophobicContact CG1-CB 4.35Å
145D98.1Very high98.2Very high81 Ų8164.3 Ų64.343%0.43335%0.346SS..  trans-67.8140.8177.2-168-90.8000111.3Q147 D148 A149D145-Q147 VanDerWaalsContact C-N 3.31Å; D145-Q147 PolarHBondContact O-N 3.3Å; D145-Q147 WeakPolarHBondContact OD1-CA 3.48Å; D145-Q147 WeakPolarHBondContact OD1-CB 2.88Å; D145-Q147 PolarHBondContact OD1-N 3.3Å; D145-D148 HydrophobicContact CB-CB 4.21Å; D145-D148 PolarHBondContact O-N 2.92Å; D145-A149 PolarHBondContact O-N 2.97Å
146F98.1Very high98.1Very high82 Ų8263.7 Ų63.736%0.3635%0.345SS..Hα-helixtrans-61.2-42.8179.2176.8-88.7000111.2D148 A149 Q150 F160 E162F146-D148 VanDerWaalsContact C-N 3.34Å; F146-D148 PolarHBondContact O-N 2.91Å; F146-A149 PolarHBondContact O-N 3.46Å; F146-Q150 HydrophobicContact CD1-CB 4.45Å; F146-Q150 HydrophobicContact CE1-CB 4.13Å; F146-Q150 HydrophobicContact CE1-CG 4.4Å; F146-Q150 VanDerWaalsContact O-CB 3.31Å; F146-Q150 WeakPolarHBondContact O-CB 3.28Å; F146-Q150 PolarHBondContact O-N 3.38Å; F146-F160 AromaticContact CD2-CE1 4Å; F146-F160 HydrophobicContact CD2-CE1 4Å; F146-F160 HydrophobicContact CD2-CZ 4.31Å; F146-F160 HydrophobicContact CE2-CD1 4.48Å; F146-F160 AromaticContact CE2-CE1 3.6Å; F146-F160 HydrophobicContact CE2-CE1 3.6Å; F146-F160 HydrophobicContact CE2-CZ 4.22Å; F146-F160 HydrophobicContact CZ-CD1 4.5Å; F146-F160 AromaticContact CZ-CE1 3.91Å; F146-F160 HydrophobicContact CZ-CE1 3.91Å; F146-E162 HydrophobicContact CD2-CG 3.76Å; F146-E162 HydrophobicContact CE2-CG 3.99Å
147Q98.1Very high98.1Very high114 Ų11468 Ų6853%0.53338%0.375SS..Hα-helixtrans-67.6-36.2-176.5-166.562.432.500111.4D145 S151D145-Q147 VanDerWaalsContact C-N 3.31Å; D145-Q147 PolarHBondContact O-N 3.3Å; D145-Q147 WeakPolarHBondContact OD1-CA 3.48Å; D145-Q147 WeakPolarHBondContact OD1-CB 2.88Å; D145-Q147 PolarHBondContact OD1-N 3.3Å; Q147-S151 VanDerWaalsContact O-CB 3.3Å; Q147-S151 WeakPolarHBondContact O-CB 3.46Å; Q147-S151 PolarHBondContact O-N 3.16Å; Q147-S151 PolarHBondContact O-OG 3.21Å
148D97.9Very high98.1Very high103 Ų10366.1 Ų66.155%0.55137%0.365SS*.Hα-helixtrans-65.6-42.6175.3-72.1-14.9000111.5D145 F146 Y152D145-D148 HydrophobicContact CB-CB 4.21Å; D145-D148 PolarHBondContact O-N 2.92Å; F146-D148 VanDerWaalsContact C-N 3.34Å; F146-D148 PolarHBondContact O-N 2.91Å; D148-Y152 WeakPolarHBondContact O-CB 3.29Å; D148-Y152 PolarHBondContact O-N 3.44Å
149A98.4Very high98.1Very high0 Ų065.1 Ų65.10%036%0.359CS..Hα-helixtrans-68.8-40.6176.900000112.7Y101 F109 V144 D145 F146 A153 F160Y101-A149 WeakPolarHBondContact OH-CB 3.1Å; F109-A149 HydrophobicContact CE2-CB 4.18Å; F109-A149 HydrophobicContact CZ-CB 4.02Å; V144-A149 HydrophobicContact CG1-CB 4.35Å; D145-A149 PolarHBondContact O-N 2.97Å; F146-A149 PolarHBondContact O-N 3.46Å; A149-A153 WeakPolarHBondContact O-CB 3.15Å; A149-A153 PolarHBondContact O-N 2.88Å; A149-F160 HydrophobicContact CB-CE1 4.14Å; A149-F160 HydrophobicContact CB-CE2 3.88Å; A149-F160 HydrophobicContact CB-CZ 3.51Å
150Q98.6Very high98.2Very high46 Ų4663.8 Ų63.822%0.21535%0.345CS..Hα-helixtrans-62.7-49.2175-179.464.171.200111.1F146 Y152 A153 D154 F160F146-Q150 HydrophobicContact CD1-CB 4.45Å; F146-Q150 HydrophobicContact CE1-CB 4.13Å; F146-Q150 HydrophobicContact CE1-CG 4.4Å; F146-Q150 VanDerWaalsContact O-CB 3.31Å; F146-Q150 WeakPolarHBondContact O-CB 3.28Å; F146-Q150 PolarHBondContact O-N 3.38Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 2.89Å; Q150-A153 WeakPolarHBondContact O-CB 3.02Å; Q150-A153 PolarHBondContact O-N 2.79Å; Q150-D154 VanDerWaalsContact NE2-CG 3.32Å; Q150-D154 PolarHBondContact NE2-OD1 3.27Å; Q150-D154 PolarHBondContact NE2-OD2 2.83Å; Q150-D154 VanDerWaalsContact NE2-OD2 3.09Å; Q150-D154 PolarHBondContact O-N 3.48Å; Q150-F160 HydrophobicContact CB-CD1 4.01Å; Q150-F160 HydrophobicContact CB-CE1 3.99Å
151S98.6Very high98.2Very high44 Ų4460.4 Ų60.431%0.30832%0.316SS..Hα-helixtrans-60.1-44178.8-54.10000111.1Q147 A153 D154 D155Q147-S151 VanDerWaalsContact O-CB 3.3Å; Q147-S151 WeakPolarHBondContact O-CB 3.46Å; Q147-S151 PolarHBondContact O-N 3.16Å; Q147-S151 PolarHBondContact O-OG 3.21Å; S151-A153 VanDerWaalsContact C-N 3.32Å; S151-A153 PolarHBondContact O-N 3.14Å; S151-D154 PolarHBondContact O-N 3.24Å; S151-D155 WeakPolarHBondContact O-CB 3.17Å; S151-D155 VanDerWaalsContact O-CG 3.24Å; S151-D155 PolarHBondContact O-N 2.95Å
152Y98.7Very high98.3Very high26 Ų2654.5 Ų54.510%0.10229%0.291CS..Hα-helixtrans-60-41.3174.4175.4-98.9000112.6F109 K113 V116 L131 D148 Q150 N156 L158F109-Y152 HydrophobicContact CE2-CD1 4.27Å; F109-Y152 HydrophobicContact CZ-CD1 4.3Å; F109-Y152 HydrophobicContact CZ-CG 4.33Å; K113-Y152 WeakPolarHBondContact CA-OH 3.22Å; K113-Y152 HydrophobicContact CB-CE1 4.44Å; K113-Y152 HydrophobicContact CB-CE2 4.27Å; K113-Y152 HydrophobicContact CD-CD2 4.06Å; K113-Y152 HydrophobicContact CD-CE2 3.89Å; K113-Y152 HydrophobicContact CD-CG 4.49Å; K113-Y152 HydrophobicContact CG-CD1 4.25Å; K113-Y152 HydrophobicContact CG-CD2 4.26Å; K113-Y152 HydrophobicContact CG-CE1 3.78Å; K113-Y152 HydrophobicContact CG-CE2 3.79Å; K113-Y152 HydrophobicContact CG-CG 4.48Å; V116-Y152 HydrophobicContact CG2-CE1 4.41Å; L131-Y152 HydrophobicContact CD2-CD1 4.03Å; L131-Y152 HydrophobicContact CD2-CE1 4.49Å; D148-Y152 WeakPolarHBondContact O-CB 3.29Å; D148-Y152 PolarHBondContact O-N 3.44Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 2.89Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.2Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.38Å; Y152-N156 WeakPolarHBondContact O-CB 2.83Å; Y152-N156 PolarHBondContact O-N 3.39Å; Y152-N156 PolarHBondContact O-ND2 3.36Å; Y152-L158 HydrophobicContact CD1-CD1 4.43Å; Y152-L158 HydrophobicContact CE1-CD1 3.98Å
153A98.6Very high98.3Very high0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-65.1-43.517800000112.1L131 A149 Q150 S151 N156 S157 L158 F160L131-A153 HydrophobicContact CD2-CB 4.4Å; A149-A153 WeakPolarHBondContact O-CB 3.15Å; A149-A153 PolarHBondContact O-N 2.88Å; Q150-A153 WeakPolarHBondContact O-CB 3.02Å; Q150-A153 PolarHBondContact O-N 2.79Å; S151-A153 VanDerWaalsContact C-N 3.32Å; S151-A153 PolarHBondContact O-N 3.14Å; A153-N156 CarbonylContact O-C 3.37Å; A153-N156 PolarHBondContact O-N 3.25Å; A153-S157 PolarHBondContact O-N 3.42Å; A153-L158 HydrophobicContact CB-CB 4.08Å; A153-L158 PolarHBondContact O-N 3.43Å; A153-F160 HydrophobicContact CB-CB 3.44Å; A153-F160 VanDerWaalsContact CB-CB 3.44Å; A153-F160 HydrophobicContact CB-CG 4.02Å
154D98.3Very high98.3Very high94 Ų9448.4 Ų48.450%0.50326%0.257SS..Hα-helixtrans-63.7-47.2178.8-65.7-30000111.1Q150 S151 N156 S157Q150-D154 VanDerWaalsContact NE2-CG 3.32Å; Q150-D154 PolarHBondContact NE2-OD1 3.27Å; Q150-D154 PolarHBondContact NE2-OD2 2.83Å; Q150-D154 VanDerWaalsContact NE2-OD2 3.09Å; Q150-D154 PolarHBondContact O-N 3.48Å; S151-D154 PolarHBondContact O-N 3.24Å; D154-N156 PolarHBondContact O-N 3.04Å; D154-N156 VanDerWaalsContact O-N 3.13Å; D154-S157 PolarHBondContact O-N 3.2Å
155D98.3Very high98.4Very high134 Ų13448.3 Ų48.372%0.71726%0.256SS*.Hα-helixtrans-58.2-28.7176.5-73-15.7000112.8S151S151-D155 WeakPolarHBondContact O-CB 3.17Å; S151-D155 VanDerWaalsContact O-CG 3.24Å; S151-D155 PolarHBondContact O-N 2.95Å
156N97.6Very high98.4Very high41 Ų4148.9 Ų48.922%0.21926%0.255CS..THydrogen-bonded Turntrans-104.97.8-179-69.9-93.7000113.1Y152 A153 D154 L158Y152-N156 WeakPolarHBondContact CD2-ND2 3.2Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.38Å; Y152-N156 WeakPolarHBondContact O-CB 2.83Å; Y152-N156 PolarHBondContact O-N 3.39Å; Y152-N156 PolarHBondContact O-ND2 3.36Å; A153-N156 CarbonylContact O-C 3.37Å; A153-N156 PolarHBondContact O-N 3.25Å; D154-N156 PolarHBondContact O-N 3.04Å; D154-N156 VanDerWaalsContact O-N 3.13Å; N156-L158 HydrophobicContact CB-CD1 4.02Å; N156-L158 HydrophobicContact CB-CD2 4Å; N156-L158 HydrophobicContact CB-CG 3.72Å; N156-L158 WeakPolarHBondContact O-CD2 3.47Å; N156-L158 PolarHBondContact O-N 3.05Å
157S96.9Very high98.4Very high101 Ų10148.7 Ų48.771%0.70626%0.26SS*.THydrogen-bonded Turntrans55.334.6-179.5-59.90000114.5A153 D154A153-S157 PolarHBondContact O-N 3.42Å; D154-S157 PolarHBondContact O-N 3.2Å
158L98.4Very high98.4Very high15 Ų1545.3 Ų45.38%0.07925%0.25CC..  trans-86.8153.2179.9-44.3179.6000110.6V116 I129 L131 Y152 A153 N156V116-L158 HydrophobicContact CG1-CD1 3.96Å; V116-L158 HydrophobicContact CG1-CD2 3.94Å; V116-L158 HydrophobicContact CG2-CD1 3.88Å; I129-L158 HydrophobicContact CB-CD2 3.88Å; I129-L158 HydrophobicContact CG2-CD2 3.9Å; L131-L158 HydrophobicContact CB-CD1 4.11Å; Y152-L158 HydrophobicContact CD1-CD1 4.43Å; Y152-L158 HydrophobicContact CE1-CD1 3.98Å; A153-L158 HydrophobicContact CB-CB 4.08Å; A153-L158 PolarHBondContact O-N 3.43Å; N156-L158 HydrophobicContact CB-CD1 4.02Å; N156-L158 HydrophobicContact CB-CD2 4Å; N156-L158 HydrophobicContact CB-CG 3.72Å; N156-L158 WeakPolarHBondContact O-CD2 3.47Å; N156-L158 PolarHBondContact O-N 3.05Å
159L98.5Very high98.4Very high37 Ų3744.9 Ų44.919%0.19425%0.245CC..EExtended strand (participates in β ladder)trans-71.9140.5156.9-63.1173.7000108.1V128 I129 A130 L131 A177 I178 K181V128-L159 HydrophobicContact CG1-CD1 3.86Å; I129-L159 PolarHBondContact O-N 3.39Å; A130-L159 CarbonylContact C-O 3.59Å; A130-L159 VanDerWaalsContact CA-O 3.29Å; A130-L159 WeakPolarHBondContact CA-O 3.24Å; A130-L159 HydrophobicContact CB-CB 3.86Å; L131-L159 PolarHBondContact N-O 2.64Å; L159-A177 HydrophobicContact CD1-CB 4.29Å; L159-I178 HydrophobicContact CD1-CG1 3.88Å; L159-K181 HydrophobicContact CD1-CD 4.17Å; L159-K181 HydrophobicContact CD2-CD 3.96Å; L159-K181 HydrophobicContact CG-CD 4.17Å
160F98.8Very high98.4Very high23 Ų2347.7 Ų47.710%0.10126%0.26CS..EExtended strand (participates in β ladder)trans-136135.5175.3175.2-115000111.9Y101 L131 F146 A149 Q150 A153 E162Y101-F160 HydrophobicContact CE1-CE2 4.11Å; L131-F160 HydrophobicContact CB-CD2 3.99Å; L131-F160 HydrophobicContact CD2-CD2 3.8Å; L131-F160 HydrophobicContact CD2-CE2 4.16Å; L131-F160 HydrophobicContact CG-CD2 3.87Å; L131-F160 HydrophobicContact CG-CE2 4.31Å; L131-F160 WeakPolarHBondContact O-CA 3.39Å; L131-F160 WeakPolarHBondContact O-CD2 3.44Å; F146-F160 AromaticContact CD2-CE1 4Å; F146-F160 HydrophobicContact CD2-CE1 4Å; F146-F160 HydrophobicContact CD2-CZ 4.31Å; F146-F160 HydrophobicContact CE2-CD1 4.48Å; F146-F160 AromaticContact CE2-CE1 3.6Å; F146-F160 HydrophobicContact CE2-CE1 3.6Å; F146-F160 HydrophobicContact CE2-CZ 4.22Å; F146-F160 HydrophobicContact CZ-CD1 4.5Å; F146-F160 AromaticContact CZ-CE1 3.91Å; F146-F160 HydrophobicContact CZ-CE1 3.91Å; A149-F160 HydrophobicContact CB-CE1 4.14Å; A149-F160 HydrophobicContact CB-CE2 3.88Å; A149-F160 HydrophobicContact CB-CZ 3.51Å; Q150-F160 HydrophobicContact CB-CD1 4.01Å; Q150-F160 HydrophobicContact CB-CE1 3.99Å; A153-F160 HydrophobicContact CB-CB 3.44Å; A153-F160 VanDerWaalsContact CB-CB 3.44Å; A153-F160 HydrophobicContact CB-CG 4.02Å; F160-E162 HydrophobicContact CZ-CG 4Å
161M98.8Very high98.4Very high49 Ų4945.5 Ų45.524%0.24125%0.25CS..EExtended strand (participates in β ladder)trans-148142.3169.7-63.7-176.7-173.500108.8L131 S132 G133 T163 N170 E173 I174 A177L131-M161 PolarHBondContact O-N 2.84Å; S132-M161 WeakPolarHBondContact CA-O 3.48Å; G133-M161 PolarHBondContact N-O 2.96Å; G133-M161 VanDerWaalsContact N-O 3.11Å; M161-T163 HydrophobicContact CB-CG2 4.4Å; M161-N170 HydrophobicContact CB-CB 4.39Å; M161-N170 HydrophobicContact SD-CB 4.34Å; M161-E173 HydrophobicContact CE-CB 4.32Å; M161-E173 HydrophobicContact SD-CB 3.85Å; M161-I174 HydrophobicContact SD-CB 3.85Å; M161-I174 HydrophobicContact SD-CG1 4.39Å; M161-I174 PolarHBondContact SD-N 3.26Å; M161-A177 HydrophobicContact CE-CB 3.72Å
162E98.8Very high98.4Very high22 Ų2247.1 Ų47.110%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-78.6138.7157.8-70.5-165.3161.100109.8I103 G133 A136 R142 F146 F160 N170I103-E162 HydrophobicContact CG2-CG 4.42Å; G133-E162 CarbonylContact O-C 3.54Å; G133-E162 WeakPolarHBondContact O-CA 3.4Å; A136-E162 HydrophobicContact CB-CB 4.18Å; R142-E162 IonicContact CZ-OE1 3.76Å; R142-E162 VanDerWaalsContact CZ-OE1 3.26Å; R142-E162 IonicContact CZ-OE2 3.03Å; R142-E162 IonicContact NH1-OE1 3.88Å; R142-E162 PolarHBondContact NH1-OE1 3.35Å; R142-E162 IonicContact NH1-OE2 2.67Å; R142-E162 VanDerWaalsContact NH2-CD 3.29Å; R142-E162 IonicContact NH2-OE1 2.76Å; R142-E162 PolarHBondContact NH2-OE1 2.8Å; R142-E162 IonicContact NH2-OE2 2.64Å; R142-E162 PolarHBondContact NH2-OE2 3.03Å; F146-E162 HydrophobicContact CD2-CG 3.76Å; F146-E162 HydrophobicContact CE2-CG 3.99Å; F160-E162 HydrophobicContact CZ-CG 4Å; E162-N170 WeakPolarHBondContact O-CB 3.36Å; E162-N170 PolarHBondContact O-ND2 2.92Å
163T98.9Very high98.4Very high0 Ų050 Ų500%027%0.27CS..  trans-128.7159.4-177.7640000111.1L37 S132 G133 N134 K135 A136 M161 M169 N170 I174L37-T163 HydrophobicContact CD1-CG2 4.48Å; S132-T163 WeakPolarHBondContact OG-CG2 3.43Å; S132-T163 PolarHBondContact OG-OG1 2.66Å; G133-T163 PolarHBondContact O-N 2.87Å; N134-T163 CarbonylContact C-O 3.55Å; N134-T163 VanDerWaalsContact CA-O 3.26Å; N134-T163 WeakPolarHBondContact CA-O 3.48Å; N134-T163 PolarHBondContact OD1-O 3.08Å; N134-T163 PolarHBondContact OD1-OG1 2.85Å; K135-T163 PolarHBondContact N-O 3.25Å; A136-T163 WeakPolarHBondContact CB-O 3.47Å; A136-T163 PolarHBondContact N-O 3.17Å; M161-T163 HydrophobicContact CB-CG2 4.4Å; T163-M169 VanDerWaalsContact CA-O 3.32Å; T163-M169 WeakPolarHBondContact CA-O 3.43Å; T163-N170 HydrophobicContact CG2-CB 4.01Å; T163-I174 HydrophobicContact CG2-CD1 4.42Å; T163-I174 HydrophobicContact CG2-CG2 4.34Å
164S98.8Very high98.4Very high0 Ų050.1 Ų50.10%027%0.27CS..BIsolated β-bridgetrans-137107.5166.7167.80000109D137 K166 T167 S168 M169D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.32Å; D137-S164 WeakPolarHBondContact OD1-CB 3.48Å; D137-S164 PolarHBondContact OD1-OG 3.46Å; S164-K166 PolarHBondContact O-N 2.67Å; S164-K166 PolarHBondContact OG-N 3.24Å; S164-T167 WeakPolarHBondContact CB-OG1 3.23Å; S164-T167 PolarHBondContact O-N 3.14Å; S164-T167 PolarHBondContact OG-N 2.94Å; S164-T167 PolarHBondContact OG-OG1 3.1Å; S164-S168 CarbonylContact O-C 3.52Å; S164-S168 VanDerWaalsContact O-CA 3.23Å; S164-S168 WeakPolarHBondContact O-CA 3.42Å; S164-S168 PolarHBondContact O-N 3.45Å; S164-M169 PolarHBondContact N-O 3.47Å; S164-M169 PolarHBondContact O-N 3.49Å
165A98.5Very high98.4Very high2 Ų245.6 Ų45.62%0.01725%0.246CC..THydrogen-bonded Turntrans-58-30.1170.800000112.3R40 F46 N134R40-A165 PolarHBondContact NE-O 2.69Å; R40-A165 PolarHBondContact NH2-O 2.95Å; F46-A165 HydrophobicContact CD2-CB 4.1Å; F46-A165 HydrophobicContact CE2-CB 4.32Å; N134-A165 PolarHBondContact OD1-N 3.25Å
166K98.3Very high98.3Very high93 Ų9342.4 Ų42.440%0.40423%0.228SC..THydrogen-bonded Turntrans-67.9-50.4179.7-172.9170.8-174.8165.40111.6R40 F46 E48 D137 S164R40-K166 PolarHBondContact NH2-O 3.46Å; F46-K166 HydrophobicContact CD1-CB 4.46Å; F46-K166 HydrophobicContact CD1-CG 4.2Å; F46-K166 HydrophobicContact CD2-CB 4.34Å; F46-K166 HydrophobicContact CE1-CB 4.13Å; F46-K166 HydrophobicContact CE1-CD 4.24Å; F46-K166 HydrophobicContact CE1-CG 3.84Å; F46-K166 HydrophobicContact CE2-CB 4Å; F46-K166 HydrophobicContact CZ-CB 3.89Å; F46-K166 HydrophobicContact CZ-CD 4.36Å; F46-K166 HydrophobicContact CZ-CG 4.06Å; E48-K166 IonicContact OE1-NZ 3.65Å; D137-K166 WeakPolarHBondContact OD2-CD 3.29Å; S164-K166 PolarHBondContact O-N 2.67Å; S164-K166 PolarHBondContact OG-N 3.24Å
167T98.3Very high98.3Very high78 Ų7841.5 Ų41.548%0.47923%0.226SC..THydrogen-bonded Turntrans-94.3-8.7-175.862.70000113.8D137 S164 M169D137-T167 HydrophobicContact CB-CG2 3.78Å; S164-T167 WeakPolarHBondContact CB-OG1 3.23Å; S164-T167 PolarHBondContact O-N 3.14Å; S164-T167 PolarHBondContact OG-N 2.94Å; S164-T167 PolarHBondContact OG-OG1 3.1Å; T167-M169 PolarHBondContact O-N 3.49Å; T167-M169 PolarHBondContact OG1-N 3.14Å
168S98.2Very high98.4Very high44 Ų4436.7 Ų36.731%0.30819%0.193SC..THydrogen-bonded Turntrans71.110.2-171.8-36.70000114.9R40 S164 N170 V171R40-S168 VanDerWaalsContact CD-OG 3.27Å; R40-S168 WeakPolarHBondContact CD-OG 3.47Å; R40-S168 PolarHBondContact NE-OG 3Å; S164-S168 CarbonylContact O-C 3.52Å; S164-S168 VanDerWaalsContact O-CA 3.23Å; S164-S168 WeakPolarHBondContact O-CA 3.42Å; S164-S168 PolarHBondContact O-N 3.45Å; S168-N170 PolarHBondContact O-N 3.13Å; S168-V171 PolarHBondContact O-N 3.38Å
169M98.6Very high98.3Very high93 Ų9336 Ų3646%0.45819%0.189SC..BIsolated β-bridgetrans-58.5125.9176-177.9-173.2-69.500111A136 T163 S164 T167 V171A136-M169 HydrophobicContact CB-SD 3.95Å; T163-M169 VanDerWaalsContact CA-O 3.32Å; T163-M169 WeakPolarHBondContact CA-O 3.43Å; S164-M169 PolarHBondContact N-O 3.47Å; S164-M169 PolarHBondContact O-N 3.49Å; T167-M169 PolarHBondContact O-N 3.49Å; T167-M169 PolarHBondContact OG1-N 3.14Å; M169-V171 PolarHBondContact O-N 2.97Å
170N98.6Very high98.1Very high59 Ų5940.9 Ų40.932%0.31621%0.209SC..THydrogen-bonded Turntrans55.913.2176.8-63.5-27.2000115.4M161 E162 T163 S168 E173 I174M161-N170 HydrophobicContact CB-CB 4.39Å; M161-N170 HydrophobicContact SD-CB 4.34Å; E162-N170 WeakPolarHBondContact O-CB 3.36Å; E162-N170 PolarHBondContact O-ND2 2.92Å; T163-N170 HydrophobicContact CG2-CB 4.01Å; S168-N170 PolarHBondContact O-N 3.13Å; N170-E173 WeakPolarHBondContact CA-OE2 3.28Å; N170-E173 HydrophobicContact CB-CB 4.42Å; N170-E173 PolarHBondContact N-OE2 3.12Å; N170-I174 PolarHBondContact O-N 3.14Å; N170-I174 VanDerWaalsContact O-N 3.17Å
171V98.6Very high98Very high1 Ų145.3 Ų45.31%0.00623%0.228CC..Hα-helixtrans-70.2-47.8-177.3178.30000110.1L37 R40 F41 S168 M169 E173 I174 F175L37-V171 HydrophobicContact CD1-CB 4.34Å; L37-V171 HydrophobicContact CD1-CG1 4.02Å; L37-V171 HydrophobicContact CD1-CG2 3.73Å; R40-V171 HydrophobicContact CB-CG1 4.17Å; R40-V171 HydrophobicContact CG-CB 4.25Å; R40-V171 HydrophobicContact CG-CG1 3.88Å; R40-V171 HydrophobicContact CG-CG2 4.06Å; F41-V171 HydrophobicContact CB-CG1 3.91Å; S168-V171 PolarHBondContact O-N 3.38Å; M169-V171 PolarHBondContact O-N 2.97Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-E173 PolarHBondContact N-OE2 3.35Å; V171-I174 WeakPolarHBondContact O-CG2 3.03Å; V171-F175 HydrophobicContact CG1-CE2 4.49Å; V171-F175 WeakPolarHBondContact O-CD2 3.45Å
172N97.8Very high97.8Very high78 Ų7843.3 Ų43.342%0.41722%0.218SC..Hα-helixtrans-72.4-35.6178.6-70.1-63.8000111I174 F175 M176N172-I174 PolarHBondContact O-N 3.25Å; N172-F175 PolarHBondContact O-N 3.31Å; N172-M176 WeakPolarHBondContact O-CB 3.41Å; N172-M176 VanDerWaalsContact O-CG 3.29Å; N172-M176 WeakPolarHBondContact O-CG 3.33Å; N172-M176 PolarHBondContact O-N 3.3Å
173E98.4Very high97.4Very high86 Ų8646.6 Ų46.640%0.40224%0.241SC..Hα-helixtrans-61.2-42.7-174.5-66.472-167.100111.4M161 N170 V171 M176 A177M161-E173 HydrophobicContact CE-CB 4.32Å; M161-E173 HydrophobicContact SD-CB 3.85Å; N170-E173 WeakPolarHBondContact CA-OE2 3.28Å; N170-E173 HydrophobicContact CB-CB 4.42Å; N170-E173 PolarHBondContact N-OE2 3.12Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-E173 PolarHBondContact N-OE2 3.35Å; E173-M176 PolarHBondContact O-N 3.33Å; E173-A177 VanDerWaalsContact O-CB 3.29Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.48Å
174I98.6Very high96.8Very high2 Ų249 Ų491%0.0125%0.252CS..Hα-helixtrans-66.8-41.8178.3-163.7172.8000111.9I98 A130 M161 T163 N170 V171 N172 A177 I178I98-I174 HydrophobicContact CG2-CD1 4.15Å; A130-I174 HydrophobicContact CB-CD1 4.11Å; A130-I174 HydrophobicContact CB-CG1 4.15Å; M161-I174 HydrophobicContact SD-CB 3.85Å; M161-I174 HydrophobicContact SD-CG1 4.39Å; M161-I174 PolarHBondContact SD-N 3.26Å; T163-I174 HydrophobicContact CG2-CD1 4.42Å; T163-I174 HydrophobicContact CG2-CG2 4.34Å; N170-I174 PolarHBondContact O-N 3.14Å; N170-I174 VanDerWaalsContact O-N 3.17Å; V171-I174 WeakPolarHBondContact O-CG2 3.03Å; N172-I174 PolarHBondContact O-N 3.25Å; I174-A177 PolarHBondContact O-N 2.99Å; I174-I178 WeakPolarHBondContact O-CD1 3.4Å; I174-I178 VanDerWaalsContact O-CG1 3.3Å; I174-I178 WeakPolarHBondContact O-CG1 3.28Å; I174-I178 PolarHBondContact O-N 2.79Å; I174-I178 VanDerWaalsContact O-N 3.09Å
175F98.3Very high95.4Very high0 Ų055.9 Ų55.90%029%0.289CS..Hα-helixtrans-68.7-37.7176-70.5-82000111.8L24 F41 F72 I74 I98 V171 N172 I178 A179L24-F175 HydrophobicContact CD1-CD1 3.94Å; L24-F175 HydrophobicContact CD1-CE1 4.03Å; L24-F175 HydrophobicContact CD2-CE1 4.14Å; F41-F175 HydrophobicContact CB-CD2 3.88Å; F41-F175 HydrophobicContact CB-CE2 3.52Å; F41-F175 HydrophobicContact CB-CZ 4.15Å; F41-F175 AromaticContact CD1-CD1 3.81Å; F41-F175 HydrophobicContact CD1-CD1 3.81Å; F41-F175 AromaticContact CD1-CD2 3.6Å; F41-F175 HydrophobicContact CD1-CD2 3.6Å; F41-F175 AromaticContact CD1-CE1 3.8Å; F41-F175 HydrophobicContact CD1-CE1 3.8Å; F41-F175 AromaticContact CD1-CE2 3.65Å; F41-F175 HydrophobicContact CD1-CE2 3.65Å; F41-F175 AromaticContact CD1-CG 3.73Å; F41-F175 HydrophobicContact CD1-CG 3.73Å; F41-F175 AromaticContact CD1-CZ 3.74Å; F41-F175 HydrophobicContact CD1-CZ 3.74Å; F41-F175 HydrophobicContact CD2-CB 4.2Å; F41-F175 AromaticContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CD2 3.47Å; F41-F175 VanDerWaalsContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CE2 4.05Å; F41-F175 AromaticContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CE1-CB 3.99Å; F41-F175 AromaticContact CE1-CD1 3.58Å; F41-F175 HydrophobicContact CE1-CD1 3.58Å; F41-F175 AromaticContact CE1-CD2 3.91Å; F41-F175 HydrophobicContact CE1-CD2 3.91Å; F41-F175 AromaticContact CE1-CE1 3.99Å; F41-F175 HydrophobicContact CE1-CE1 3.99Å; F41-F175 HydrophobicContact CE1-CE2 4.34Å; F41-F175 AromaticContact CE1-CG 3.56Å; F41-F175 HydrophobicContact CE1-CG 3.56Å; F41-F175 HydrophobicContact CE1-CZ 4.37Å; F41-F175 HydrophobicContact CE2-CB 3.63Å; F41-F175 AromaticContact CE2-CD2 3.82Å; F41-F175 HydrophobicContact CE2-CD2 3.82Å; F41-F175 AromaticContact CE2-CG 3.81Å; F41-F175 HydrophobicContact CE2-CG 3.81Å; F41-F175 HydrophobicContact CG-CD1 4.42Å; F41-F175 AromaticContact CG-CD2 3.35Å; F41-F175 HydrophobicContact CG-CD2 3.35Å; F41-F175 HydrophobicContact CG-CE1 4.46Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.91Å; F41-F175 HydrophobicContact CG-CG 3.91Å; F41-F175 HydrophobicContact CG-CZ 4.04Å; F41-F175 HydrophobicContact CZ-CB 3.51Å; F41-F175 HydrophobicContact CZ-CD1 4.04Å; F41-F175 HydrophobicContact CZ-CD2 4.02Å; F41-F175 AromaticContact CZ-CG 3.6Å; F41-F175 HydrophobicContact CZ-CG 3.6Å; F72-F175 HydrophobicContact CD2-CD1 4.47Å; F72-F175 HydrophobicContact CE2-CB 4.19Å; F72-F175 HydrophobicContact CE2-CD1 4.44Å; I74-F175 HydrophobicContact CD1-CE1 4.32Å; I98-F175 HydrophobicContact CD1-CD1 3.99Å; I98-F175 HydrophobicContact CD1-CE1 3.49Å; I98-F175 VanDerWaalsContact CD1-CE1 3.49Å; I98-F175 HydrophobicContact CD1-CE2 4.33Å; I98-F175 HydrophobicContact CD1-CZ 3.67Å; V171-F175 HydrophobicContact CG1-CE2 4.49Å; V171-F175 WeakPolarHBondContact O-CD2 3.45Å; N172-F175 PolarHBondContact O-N 3.31Å; F175-I178 PolarHBondContact O-N 3.11Å; F175-A179 WeakPolarHBondContact O-CB 3.32Å; F175-A179 PolarHBondContact O-N 2.9Å
176M97.3Very high93.4Very high67 Ų6763.6 Ų63.633%0.3332%0.324SS..Hα-helixtrans-64.8-41.1173.7-73.6-176.480.500112V63 N172 E173 I178 A179 K180V63-M176 HydrophobicContact CG1-CG 3.82Å; N172-M176 WeakPolarHBondContact O-CB 3.41Å; N172-M176 VanDerWaalsContact O-CG 3.29Å; N172-M176 WeakPolarHBondContact O-CG 3.33Å; N172-M176 PolarHBondContact O-N 3.3Å; E173-M176 PolarHBondContact O-N 3.33Å; M176-I178 VanDerWaalsContact C-N 3.34Å; M176-I178 PolarHBondContact O-N 2.93Å; M176-A179 PolarHBondContact O-N 2.79Å; M176-K180 WeakPolarHBondContact O-CG 3.36Å; M176-K180 PolarHBondContact O-N 2.83Å
177A97.8Very high90.9Very high22 Ų2264.5 Ų64.518%0.18234%0.339CS..Hα-helixtrans-62.2-42.117700000111.5L159 M161 E173 I174 K180 K181L159-A177 HydrophobicContact CD1-CB 4.29Å; M161-A177 HydrophobicContact CE-CB 3.72Å; E173-A177 VanDerWaalsContact O-CB 3.29Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.48Å; I174-A177 PolarHBondContact O-N 2.99Å; A177-K180 PolarHBondContact O-N 2.95Å; A177-K181 PolarHBondContact O-N 3.1Å
178I97.8Very high88.5Confident0 Ų065.9 Ų65.90%034%0.34CS..Hα-helixtrans-62.4-49173-67.1164.2000110.5L24 F72 A96 I98 V128 A130 L159 I174 F175 M176 K180 K181 L182L24-I178 HydrophobicContact CD1-CD1 4.09Å; L24-I178 HydrophobicContact CD1-CG2 4.25Å; F72-I178 HydrophobicContact CE1-CG2 4.04Å; F72-I178 HydrophobicContact CZ-CB 4.42Å; F72-I178 HydrophobicContact CZ-CG2 4.06Å; A96-I178 HydrophobicContact CB-CG2 3.49Å; A96-I178 VanDerWaalsContact CB-CG2 3.49Å; I98-I178 HydrophobicContact CD1-CD1 3.73Å; I98-I178 HydrophobicContact CG1-CD1 3.51Å; V128-I178 HydrophobicContact CG1-CG2 4.43Å; A130-I178 HydrophobicContact CB-CD1 3.82Å; A130-I178 HydrophobicContact CB-CG1 4.06Å; L159-I178 HydrophobicContact CD1-CG1 3.88Å; I174-I178 WeakPolarHBondContact O-CD1 3.4Å; I174-I178 VanDerWaalsContact O-CG1 3.3Å; I174-I178 WeakPolarHBondContact O-CG1 3.28Å; I174-I178 PolarHBondContact O-N 2.79Å; I174-I178 VanDerWaalsContact O-N 3.09Å; F175-I178 PolarHBondContact O-N 3.11Å; M176-I178 VanDerWaalsContact C-N 3.34Å; M176-I178 PolarHBondContact O-N 2.93Å; I178-K180 PolarHBondContact O-N 3.42Å; I178-K181 PolarHBondContact O-N 2.95Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.29Å; I178-L182 WeakPolarHBondContact O-CG 3.44Å; I178-L182 PolarHBondContact O-N 3.16Å; I178-L182 VanDerWaalsContact O-N 3.12Å
179A96.5Very high85.9Confident0 Ų067.6 Ų67.60%036%0.357CS..Hα-helixtrans-57.3-36.6179.900000112.6L65 V70 F72 F175 M176L65-A179 HydrophobicContact CD1-CB 4.26Å; L65-A179 HydrophobicContact CD2-CB 4.33Å; V70-A179 HydrophobicContact CB-CB 4.15Å; V70-A179 HydrophobicContact CG1-CB 4.1Å; V70-A179 HydrophobicContact CG2-CB 4.14Å; F72-A179 HydrophobicContact CE2-CB 4.12Å; F72-A179 HydrophobicContact CZ-CB 3.81Å; F175-A179 WeakPolarHBondContact O-CB 3.32Å; F175-A179 PolarHBondContact O-N 2.9Å; M176-A179 PolarHBondContact O-N 2.79Å
180K95.5Very high83.2Confident140 Ų14069.7 Ų69.761%0.60938%0.378SS*.Hα-helixtrans-68.9-31.4176.2-73.8174.8-179.5-178.70113.1L65 M176 A177 I178L65-K180 HydrophobicContact CD2-CG 4.1Å; M176-K180 WeakPolarHBondContact O-CG 3.36Å; M176-K180 PolarHBondContact O-N 2.83Å; A177-K180 PolarHBondContact O-N 2.95Å; I178-K180 PolarHBondContact O-N 3.42Å
181K95.4Very high80.9Confident116 Ų11670.1 Ų70.150%0.50440%0.396SS..Hα-helixtrans-87.3-16.8-176.5-160.4159.4-178.4177.10113.5V128 L159 A177 I178V128-K181 HydrophobicContact CG1-CB 4.2Å; V128-K181 HydrophobicContact CG1-CD 4.14Å; V128-K181 HydrophobicContact CG1-CG 4.28Å; V128-K181 HydrophobicContact CG2-CB 4.3Å; V128-K181 HydrophobicContact CG2-CG 4.13Å; L159-K181 HydrophobicContact CD1-CD 4.17Å; L159-K181 HydrophobicContact CD2-CD 3.96Å; L159-K181 HydrophobicContact CG-CD 4.17Å; A177-K181 PolarHBondContact O-N 3.1Å; I178-K181 PolarHBondContact O-N 2.95Å
182L94.8Very high78.2Confident6 Ų674.7 Ų74.73%0.03143%0.434CS..SBendtrans-73.3143.8179.4-74.6166.3000112.7F22 F72 Q95 A96 V128 I178 K184F22-L182 HydrophobicContact CB-CD1 3.88Å; F22-L182 HydrophobicContact CD1-CB 4.5Å; F22-L182 HydrophobicContact CD1-CD1 4.28Å; F22-L182 HydrophobicContact CD1-CD2 4.19Å; F22-L182 HydrophobicContact CD2-CB 4.23Å; F22-L182 HydrophobicContact CD2-CD1 3.7Å; F22-L182 HydrophobicContact CD2-CG 4.49Å; F22-L182 HydrophobicContact CE1-CB 4.24Å; F22-L182 HydrophobicContact CE2-CB 3.95Å; F22-L182 HydrophobicContact CE2-CD1 4.27Å; F22-L182 HydrophobicContact CG-CB 4.49Å; F22-L182 HydrophobicContact CG-CD1 3.69Å; F22-L182 HydrophobicContact CG-CD2 4.41Å; F22-L182 HydrophobicContact CG-CG 4.43Å; F22-L182 HydrophobicContact CZ-CB 3.97Å; F72-L182 HydrophobicContact CE1-CD1 3.74Å; F72-L182 HydrophobicContact CZ-CD1 4.34Å; Q95-L182 HydrophobicContact CB-CD2 3.78Å; Q95-L182 WeakPolarHBondContact O-CD2 3.41Å; A96-L182 HydrophobicContact CB-CD1 4.46Å; A96-L182 HydrophobicContact CB-CD2 4.38Å; V128-L182 HydrophobicContact CB-CD2 4.48Å; V128-L182 HydrophobicContact CG2-CD2 3.99Å; V128-L182 HydrophobicContact CG2-CG 4.43Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.29Å; I178-L182 WeakPolarHBondContact O-CG 3.44Å; I178-L182 PolarHBondContact O-N 3.16Å; I178-L182 VanDerWaalsContact O-N 3.12Å; L182-K184 PolarHBondContact O-N 3.13Å
183P90.7Very high75.5Confident91 Ų9179 Ų7959%0.59146%0.457SS*.  trans-73.2110.2-17829.1-33.8000111.1F22 N185F22-P183 VanDerWaalsContact CZ-O 3.3Å; F22-P183 WeakPolarHBondContact CZ-O 3.16Å; P183-N185 VanDerWaalsContact C-N 3.28Å; P183-N185 PolarHBondContact O-N 2.94Å
184K85.9Confident73.1Confident52 Ų5280.6 Ų80.623%0.22648%0.478CS..THydrogen-bonded Turntrans-83.61.9-177-56.3167.7-164.5168.20113.7K18 L65 T68 L182K18-K184 VanDerWaalsContact CE-O 3.26Å; K18-K184 WeakPolarHBondContact CE-O 3.2Å; K18-K184 PolarHBondContact NZ-O 2.84Å; L65-K184 HydrophobicContact CD1-CD 4.46Å; L65-K184 VanDerWaalsContact CD1-CE 3.45Å; T68-K184 HydrophobicContact CG2-CB 4.44Å; T68-K184 HydrophobicContact CG2-CD 4.17Å; T68-K184 HydrophobicContact CG2-CG 4.27Å; L182-K184 PolarHBondContact O-N 3.13Å
185N69Low70.3Confident144 Ų14483.3 Ų83.377%0.7751%0.507SS*.THydrogen-bonded Turntrans-90.2-2.9-164.5-78.5-7000116.1P183P183-N185 VanDerWaalsContact C-N 3.28Å; P183-N185 PolarHBondContact O-N 2.94Å
186E57.1Low67.5Low164 Ų16495.5 Ų95.577%0.76655%0.552SS**  trans-99.7121.6176.1-68.6-172.3165.500111.3Q188E186-Q188 VanDerWaalsContact C-N 3.35Å; E186-Q188 PolarHBondContact O-N 2.89Å
187P46Very low64.9Low111 Ų11198.5 Ų98.572%0.72158%0.575SS**  trans-64.3104.1157.325.9-27.1000106.9A189P187-A189 PolarHBondContact O-N 3.26Å
188Q48.8Very low62.4Low107 Ų107109 Ų10950%0.561%0.61SS.*  trans-62.2110.4170.9-147.7169.19.500106.7Q21 E186Q21-Q188 PolarHBondContact O-NE2 3.37Å; Q21-Q188 PolarHBondContact O-OE1 3.14Å; Q21-Q188 VanDerWaalsContact O-OE1 3.04Å; E186-Q188 VanDerWaalsContact C-N 3.35Å; E186-Q188 PolarHBondContact O-N 2.89Å
189A42.1Very low59.6Low80 Ų80112.4 Ų112.466%0.66165%0.645SS**  trans-56.4128.817600000108.4P187 G191P187-A189 PolarHBondContact O-N 3.26Å; A189-G191 PolarHBondContact O-N 3.03Å
190P43.3Very low57.2Low137 Ų137118.7 Ų118.789%0.8968%0.683SS**SBendtrans-67.1108.2175.625.8-30.4000108.5
191G50.3Low54.6Low68 Ų68118.8 Ų118.870%0.70169%0.69SS**  trans98.275.6165.200000116.1A189A189-G191 PolarHBondContact O-N 3.03Å
192A40.1Very low52Low97 Ų97121 Ų12180%0.80271%0.707SS**  trans-95.980.1145.500000107.6S194A192-S194 PolarHBondContact O-N 2.97Å
193N41.8Very low49.6Very low168 Ų168126.1 Ų126.190%0.89874%0.738SS**  trans-56.5103.2170.3-116.110.7000108.3G195N193-G195 PolarHBondContact O-N 3.24Å
194S47.8Very low47.2Very low120 Ų120131.2 Ų131.284%0.83975%0.754SS**  trans-68.5125166.4-69.10000108.4A192A192-S194 PolarHBondContact O-N 2.97Å
195G39.9Very low44.9Very low60 Ų60133.4 Ų133.462%0.61978%0.782SS**  trans97.685.1159.400000115.4N193 T197N193-G195 PolarHBondContact O-N 3.24Å; G195-T197 PolarHBondContact O-N 2.87Å
196R39.4Very low43.6Very low255 Ų255131.2 Ų131.296%0.96278%0.784SS**  trans-56.691.8141.1-116.9174.1155.8170.5-6.3106.8R198R196-R198 PolarHBondContact O-N 3.07Å
197T42.7Very low43.1Very low131 Ų131132.3 Ų132.380%0.80479%0.789SS**  trans-61.6106.2159.942.40000106.5G195 G199G195-T197 PolarHBondContact O-N 2.87Å; T197-G199 VanDerWaalsContact C-N 3.27Å; T197-G199 PolarHBondContact O-N 3.49Å
198R45.1Very low42.9Very low241 Ų241133.1 Ų133.191%0.90980%0.795SS**  trans-59.3101.9155.5-89.1-178170.6171.1-3.1105.2R196 V200R196-R198 PolarHBondContact O-N 3.07Å; R198-V200 PolarHBondContact O-N 3.02Å
199G38.6Very low42.6Very low72 Ų72133 Ų13374%0.74281%0.812SS**  trans-57124170.400000108.4T197T197-G199 VanDerWaalsContact C-N 3.27Å; T197-G199 PolarHBondContact O-N 3.49Å
200V46Very low42.5Very low133 Ų133138.7 Ų138.781%0.80682%0.822SS**  trans-85.7105.9161.2-137.30000104R198 L202R198-V200 PolarHBondContact O-N 3.02Å; V200-L202 PolarHBondContact O-N 3Å
201D41.1Very low43Very low141 Ų141136.9 Ų136.975%0.75482%0.819SS**  trans-76.3117.9176.6-156.6-5.7000108.1
202L42.1Very low43.1Very low163 Ų163139.6 Ų139.685%0.85382%0.824SS**  trans-102.249-175.6-82.7167.6000110.9V200V200-L202 PolarHBondContact O-N 3Å
203T44.6Very low43.1Very low113 Ų113140.5 Ų140.569%0.69382%0.823SS**  trans-134.279168.655.10000110.9
204E39.7Very low43.1Very low198 Ų198138 Ų13893%0.92582%0.818SS**  trans-152.5124.9145.4-137.8171161.200111.2
205A38.6Very low43Very low98 Ų98137.3 Ų137.381%0.8181%0.813SS**  trans-75.2148.7-178.100000111.6
206A40.9Very low43.7Very low98 Ų98144.8 Ų144.881%0.8185%0.846SS**  trans-40.4135.9177.300000116.7
207Q45.9Very low43.9Very low188 Ų188139.3 Ų139.388%0.87984%0.841SS**  trans-146.7137.1140.2-79.2-172.517.100111.1
208P42.3Very low43.9Very low128 Ų128139.7 Ų139.783%0.83184%0.842SS**PPolyproline II helixtrans-85.4125.9177.232.4-30.1000111.2
209A41.3Very low43.9Very low105 Ų105134.1 Ų134.187%0.86884%0.839SS**PPolyproline II helixtrans-89.4124.6174.600000111.5
210K40.6Very low44.2Very low198 Ų198137.7 Ų137.786%0.86184%0.844SS**PPolyproline II helixtrans-66.4142.2174.6-65.8174.3175.4177.40111.3
211A55.2Low44.1Very low100 Ų100138 Ų13883%0.82685%0.847SS**PPolyproline II helixtrans-74.9149.4164.400000111.4
212P52Low44.3Very low124 Ų124137.8 Ų137.881%0.80585%0.853SS**  trans-125.8143.2147.228.8-12.5000113.4
213C40.1Very low44.4Very low116 Ų116136 Ų13678%0.78485%0.853SS**  trans-55144.5165.5-171.70000112.8
214C40.6Very low44.4Very low117 Ų117137.8 Ų137.879%0.79187%0.865SS**  174.6147.5111.6-95.40000113.4
215S46.3Very low44.8Very low105 Ų105132.8 Ų132.873%0.73486%0.86SS**  trans-61.3155.1177.247.30000116.7
216T54.2Low45.4Very low216 Ų216135.9 Ų135.9100%1.32587%0.865SS**  -140.70125.9-23.50000109.4

Retrieved 216 of 216 residues in 338.3 ms (Link to these results)

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