A0A087XDV0_POEFO Loading...

Runt-related transcription factor

AlphaFold DB , UniProt , Accession A0A087XDV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M35Very low39.2Very low251 Ų251143.8 Ų143.8100%1.23682%0.818SS**  0149.20-67157.982.900107.3
2A39.8Very low38.7Very low99 Ų99142.8 Ų142.882%0.81881%0.808SS**  trans-99.1150.2-174.400000111.9
3S38.9Very low38.5Very low120 Ų120148.5 Ų148.584%0.83981%0.812SS**  trans-155.7135.7169-66.50000109.8
4N46.7Very low38.2Very low155 Ų155144.9 Ų144.983%0.82980%0.803SS**  trans-111.5154.9172.6-55.7-53.3000109.3
5S44.4Very low38.1Very low114 Ų114142.1 Ų142.180%0.79780%0.797SS**  trans173.9134.6148.5-86.10000107.5
6I43.2Very low38.1Very low146 Ų146139.1 Ų139.175%0.74979%0.788SS**  cis83.7103.936.2-62.6-178.7000113.6
7F40.2Very low38.1Very low183 Ų183139.9 Ų139.980%0.80379%0.789SS**  trans56.8157.6159.7-82.8-106.2000117.3
8D36Very low38.2Very low128 Ų128140.2 Ų140.268%0.68479%0.787SS**  cis-162.2-172.840.6-152.9-13.3000113.8
9S34.2Very low37.9Very low109 Ų109145.2 Ų145.276%0.76279%0.793SS**  trans101.1124.1158.6-60.10000119.5
10F37.6Very low37.6Very low176 Ų176146.3 Ų146.377%0.77279%0.792SS**  trans-105.4177.6-179.8-64.8-113.8000111.4
11S35.4Very low38.2Very low101 Ų101144.2 Ų144.271%0.70679%0.786SS**  168.9133.2109.9-730000115
12N33.1Very low39Very low131 Ų131137.5 Ų137.570%0.70176%0.761SS**  149.9110.6121-77.9-39000115.6
13Y36.3Very low38.8Very low218 Ų218139.8 Ų139.886%0.85577%0.765SS**  trans50.7145.6137-59.2-64.5000122.5
14S34.4Very low38.9Very low98 Ų98140.5 Ų140.569%0.68577%0.765SS**  cis-153.7154.24.463.40000115.4
15S37Very low38.7Very low103 Ų103144.6 Ų144.672%0.7277%0.769SS**  trans-4.8157.1147.1530000122.6
16S38Very low38.5Very low94 Ų94150.3 Ų150.366%0.65777%0.773SS**  cis-178.9174.6-11.653.10000112.7
17L37.8Very low38.2Very low152 Ų152153.6 Ų153.680%0.79678%0.782SS**  trans76.1143.2166.1-45.4-174.6000117.6
18L40.1Very low38.5Very low145 Ų145149.8 Ų149.876%0.75977%0.774SS**  cis-166.5152.9-17.6-123.6170.7000112.3
19R32.9Very low38.9Very low236 Ų236148.7 Ų148.789%0.89177%0.774SS**  trans101.7148.4146.4-147.1160.6-166.7130.84.5121
20E31.4Very low39.2Very low167 Ų167149.3 Ų149.378%0.7878%0.775SS**  trans-142.2-175.4-166.8-126.5-159.9140.200108.3
21P49.9Very low39Very low103 Ų103146.5 Ų146.567%0.66978%0.777SS**  cis-128.2-119.8-11.924.82.7000113.8
22P52.3Low39.1Very low109 Ų109148 Ų14871%0.70878%0.782SS**  -126.9164.7-112.840.8-23.6000116.5
23T35.2Very low39.3Very low147 Ų147145.7 Ų145.790%0.90278%0.776SS**  trans-141.4144.815655.40000113.4
24T41.7Very low39.5Very low136 Ų136144 Ų14483%0.83477%0.774SS**  trans-103.5125.9176.842.20000111
25R40.7Very low40.1Very low241 Ų241145.3 Ų145.391%0.90978%0.78SS**  trans-144.7109.1156.8-73-160.3-173.5-92-7.5113.8
26R40.6Very low40.1Very low234 Ų234145.9 Ų145.988%0.88378%0.782SS**  trans2.1115.3140.8-111178.8-174.5175.12.7115.6
27F37Very low40.2Very low215 Ų215146.8 Ų146.894%0.94379%0.789SS**  trans-68.2136.6154.2-116.7-98.4000109.2
28T46.2Very low40.5Very low103 Ų103149.2 Ų149.263%0.63279%0.793SS**  trans-133.5132.2179.2-45.50000107.5
29P44.3Very low40.9Very low105 Ų105149.8 Ų149.868%0.68280%0.795SS**  trans-69.2149.8-176.928.6-35.2000111.8S31P29-S31 PolarHBondContact O-N 2.95Å; P29-S31 VanDerWaalsContact O-N 3.14Å
30P41Very low41.3Very low122 Ų122141.8 Ų141.879%0.79279%0.786SS**  trans-76.9100.3-178.730.7-34.2000111.7
31S34.5Very low41.8Very low116 Ų116141.7 Ų141.781%0.81179%0.791SS**  trans-80.5109.4158.6-65.40000109.4P29P29-S31 PolarHBondContact O-N 2.95Å; P29-S31 VanDerWaalsContact O-N 3.14Å
32T36.8Very low41.3Very low134 Ų134140.2 Ų140.282%0.82280%0.795SS**  trans-111.3132.7164.650.40000109.3
33S37.7Very low41Very low81 Ų81143.8 Ų143.857%0.56681%0.808SS**  trans-142.7149.3-169.351.70000113.2
34F40.4Very low41Very low183 Ų183139.6 Ų139.680%0.80379%0.794SS**  trans69.8164.8174-40-58.9000113.4
35P46.9Very low41.2Very low126 Ų126139.6 Ų139.682%0.81880%0.796SS**PPolyproline II helixcis-91.3151.838.7-11.830.2000116.1
36C37.6Very low41.4Very low114 Ų114136.6 Ų136.677%0.7780%0.795SS**PPolyproline II helixtrans-73.4136.8153.7-179.30000108.7K38C36-K38 PolarHBondContact O-N 3.08Å
37S39.2Very low41.5Very low114 Ų114130 Ų13080%0.79779%0.79SS**PPolyproline II helixtrans-75.4126.1178.3-70.10000110.9
38K44.7Very low41.9Very low203 Ų203125.4 Ų125.488%0.88378%0.78SS**PPolyproline II helixtrans-74.2136.3-177.3-167.6179.8-179.2-176.80110.5C36C36-K38 PolarHBondContact O-N 3.08Å
39I47.1Very low42Very low157 Ų157125.9 Ų125.981%0.80579%0.785SS**PPolyproline II helixtrans-62.5134.7170.5-59.2170.4000108.8
40G41.3Very low41.8Very low68 Ų68123.8 Ų123.870%0.70178%0.782SS**  trans-161.9120174.100000110.1
41D43Very low42.1Very low165 Ų165123.9 Ų123.988%0.88278%0.783SS**  trans-72.7139.5-172.4-53-89.2000112.5
42G39.8Very low42.5Very low72 Ų72126 Ų12674%0.74278%0.784SS**  trans-174.599.8-179.900000112.7G44G42-G44 PolarHBondContact O-N 3.33Å
43N44.8Very low43Very low183 Ų183131.3 Ų131.398%0.97979%0.789SS**  trans-67120.7177.4-79-12.4000111.4
44G36.7Very low43.2Very low60 Ų60133.5 Ų133.562%0.61980%0.799SS**  trans-158.6134.2170.200000110.6G42 M46G42-G44 PolarHBondContact O-N 3.33Å; G44-M46 PolarHBondContact O-N 3.3Å; G44-M46 VanDerWaalsContact O-N 3.08Å
45P44.7Very low43.6Very low136 Ų136131.2 Ų131.288%0.88379%0.785SS**  trans-77.4101.5-168.929.5-34.7000112.9A47P45-A47 PolarHBondContact O-N 3.07Å
46M45.9Very low43.6Very low177 Ų177130.5 Ų130.587%0.87278%0.781SS**  trans21.967.8140.9-160.5172.9-169.900117.2G44 T48G44-M46 PolarHBondContact O-N 3.3Å; G44-M46 VanDerWaalsContact O-N 3.08Å; M46-T48 PolarHBondContact O-N 3.44Å
47A42.3Very low44.5Very low96 Ų96128.6 Ų128.679%0.79376%0.763SS**  trans-71.8114.1162.400000108.5P45P45-A47 PolarHBondContact O-N 3.07Å
48T46Very low45.4Very low118 Ų118129.7 Ų129.772%0.72476%0.76SS**PPolyproline II helixtrans-59.3133.8-171.2-37.40000111.5M46 G50M46-T48 PolarHBondContact O-N 3.44Å; T48-G50 PolarHBondContact O-N 3.48Å
49P46.7Very low46.6Very low113 Ų113126 Ų12673%0.73474%0.741SS**PPolyproline II helixtrans-56.3117.3162.9-2132.7000108.3
50G41.1Very low48.2Very low61 Ų61122.5 Ų122.563%0.62972%0.723SS**PPolyproline II helixtrans-54.9141.1177.900000109.7T48 L52T48-G50 PolarHBondContact O-N 3.48Å; G50-L52 PolarHBondContact O-N 3.04Å
51P46.7Very low50Low125 Ų125121 Ų12181%0.81270%0.7SS**PPolyproline II helixtrans-52.7120.9-176-27.334.4000110.7R53P51-R53 PolarHBondContact O-N 3.06Å
52L44.1Very low51.7Low160 Ų160117.3 Ų117.384%0.83868%0.683SS**PPolyproline II helixtrans-46.9121.8154.9-80.4166.3000105.6G50 T54G50-L52 PolarHBondContact O-N 3.04Å; L52-T54 PolarHBondContact O-N 2.73Å
53R45.8Very low53.5Low246 Ų246118.3 Ų118.393%0.92867%0.672SS**  trans-64.890170.1-86.7-172.8166.1-160.8-3.4106.9P51 R55P51-R53 PolarHBondContact O-N 3.06Å; R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 2.95Å
54T43.6Very low55Low126 Ų126110.2 Ų110.277%0.77363%0.629SS**  trans-48.7109.1150.835.90000105.6L52L52-T54 PolarHBondContact O-N 2.73Å
55R48.8Very low57.1Low135 Ų135109.7 Ų109.751%0.50961%0.612SS.*  trans-54.8145.1167.4175.6176.5166.5-106.610.4106.1R53 D57 D106R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 2.95Å; R55-D57 VanDerWaalsContact CB-OD1 3.22Å; R55-D57 WeakPolarHBondContact CB-OD1 3.25Å; R55-D57 VanDerWaalsContact CD-OD1 3.29Å; R55-D57 WeakPolarHBondContact CD-OD1 3.1Å; R55-D57 WeakPolarHBondContact CG-OD1 3.29Å; R55-D57 IonicContact CZ-OD1 3.64Å; R55-D57 IonicContact NE-OD1 3.64Å; R55-D57 IonicContact NH1-OD1 3.78Å; R55-D57 PolarHBondContact NH1-OD1 2.77Å; R55-D57 VanDerWaalsContact O-CG 3.27Å; R55-D57 PolarHBondContact O-N 2.77Å; R55-D106 IonicContact CZ-OD1 3.6Å; R55-D106 VanDerWaalsContact CZ-OD1 3.24Å; R55-D106 IonicContact NH1-OD1 3.77Å; R55-D106 PolarHBondContact NH1-OD1 3.14Å; R55-D106 IonicContact NH1-OD2 2.72Å; R55-D106 PolarHBondContact NH1-OD2 3.38Å; R55-D106 IonicContact NH2-OD1 2.77Å; R55-D106 PolarHBondContact NH2-OD1 2.71Å
56P46.8Very low58.4Low111 Ų111106.5 Ų106.572%0.72160%0.597SS**  trans-70.278.5176.227.7-33.3000108.7N58P56-N58 PolarHBondContact O-N 2.9Å
57D54.8Low59.6Low75 Ų75104.3 Ų104.340%0.40159%0.589SS.*  trans-76.624.7-168.3-67.4-37.3000113.1R55R55-D57 VanDerWaalsContact CB-OD1 3.22Å; R55-D57 WeakPolarHBondContact CB-OD1 3.25Å; R55-D57 VanDerWaalsContact CD-OD1 3.29Å; R55-D57 WeakPolarHBondContact CD-OD1 3.1Å; R55-D57 WeakPolarHBondContact CG-OD1 3.29Å; R55-D57 IonicContact CZ-OD1 3.64Å; R55-D57 IonicContact NE-OD1 3.64Å; R55-D57 IonicContact NH1-OD1 3.78Å; R55-D57 PolarHBondContact NH1-OD1 2.77Å; R55-D57 VanDerWaalsContact O-CG 3.27Å; R55-D57 PolarHBondContact O-N 2.77Å
58N58.6Low61.2Low136 Ų136103.3 Ų103.373%0.72757%0.568SS**SBendtrans-141.6101.2160-86.8-82.7000107.6P56 N60P56-N58 PolarHBondContact O-N 2.9Å; N58-N60 PolarHBondContact O-N 3.18Å
59R69.6Low62.4Low127 Ų127101.7 Ų101.748%0.47957%0.567SS.*  trans-67.1116.6168.1-76.3179.3166.8167.7-3.8108V61 V64 L104R59-V61 PolarHBondContact O-N 2.97Å; R59-V64 HydrophobicContact CB-CG2 3.85Å; R59-L104 HydrophobicContact CB-CD2 4.17Å; R59-L104 PolarHBondContact N-O 2.78Å
60N81.6Confident63.9Low82 Ų8299.4 Ų99.444%0.43956%0.564SS.*  trans-65.8140-177.6-162.3-50.3000110.4N58 V62 D63 V64N58-N60 PolarHBondContact O-N 3.18Å; N60-V62 PolarHBondContact O-N 3.26Å; N60-V62 VanDerWaalsContact O-N 3.16Å; N60-V62 PolarHBondContact OD1-N 3.45Å; N60-D63 HydrophobicContact CB-CB 4.45Å; N60-D63 VanDerWaalsContact CB-OD2 3.25Å; N60-D63 WeakPolarHBondContact CB-OD2 3.22Å; N60-D63 PolarHBondContact O-N 3.21Å; N60-V64 PolarHBondContact O-N 2.95Å
61V79Confident66.2Low36 Ų36100.6 Ų100.622%0.21855%0.552CS.*Hα-helixtrans-55.4-30.4174.6-155.50000111.9R59 L65 R74 L81 L104R59-V61 PolarHBondContact O-N 2.97Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 WeakPolarHBondContact O-CD1 3.23Å; V61-L65 PolarHBondContact O-N 3.47Å; V61-R74 HydrophobicContact CG1-CG 4.11Å; V61-R74 VanDerWaalsContact CG1-NE 3.32Å; V61-L81 HydrophobicContact CG1-CD2 3.96Å; V61-L104 HydrophobicContact CB-CD1 4.16Å; V61-L104 HydrophobicContact CG1-CD1 4.04Å; V61-L104 HydrophobicContact CG2-CD1 3.85Å
62V78.8Confident68.5Low88 Ų8895.2 Ų95.253%0.53352%0.517SS..Hα-helixtrans-72.4-51.4179.4179.80000110.9N60 V64 L65 A66N60-V62 PolarHBondContact O-N 3.26Å; N60-V62 VanDerWaalsContact O-N 3.16Å; N60-V62 PolarHBondContact OD1-N 3.45Å; V62-V64 PolarHBondContact O-N 2.98Å; V62-L65 PolarHBondContact O-N 3.41Å; V62-A66 PolarHBondContact O-N 3.18Å
63D76.9Confident70.9Confident94 Ų9489.5 Ų89.550%0.50349%0.488SS..Hα-helixtrans-61.9-46-175.8-49.9-23.1000111.2N60 L65 A66 D67N60-D63 HydrophobicContact CB-CB 4.45Å; N60-D63 VanDerWaalsContact CB-OD2 3.25Å; N60-D63 WeakPolarHBondContact CB-OD2 3.22Å; N60-D63 PolarHBondContact O-N 3.21Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; D63-A66 WeakPolarHBondContact O-CB 3.4Å; D63-A66 PolarHBondContact O-N 3.34Å; D63-D67 PolarHBondContact O-N 3.24Å
64V77.7Confident73.3Confident13 Ų1384.3 Ų84.38%0.07947%0.469CS..Hα-helixtrans-66-29.5179.5179.40000112.3R59 N60 V62 H68 L72 L81 V102 L104R59-V64 HydrophobicContact CB-CG2 3.85Å; N60-V64 PolarHBondContact O-N 2.95Å; V62-V64 PolarHBondContact O-N 2.98Å; V64-H68 PolarHBondContact O-N 3Å; V64-H68 PolarHBondContact O-ND1 3.31Å; V64-L72 HydrophobicContact CG1-CD1 4.02Å; V64-L81 HydrophobicContact CB-CD1 4.24Å; V64-L81 HydrophobicContact CG1-CD1 3.75Å; V64-V102 HydrophobicContact CG1-CG1 4.37Å; V64-L104 HydrophobicContact CB-CD2 4.04Å; V64-L104 HydrophobicContact CG1-CD2 4.21Å; V64-L104 HydrophobicContact CG2-CD2 3.72Å
65L79.4Confident75.8Confident48 Ų4879.1 Ų79.125%0.25144%0.437SS..Hα-helixtrans-76.7-26171.9-101.159000112.8V61 V62 D63 H68 A69 L72 L81V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 WeakPolarHBondContact O-CD1 3.23Å; V61-L65 PolarHBondContact O-N 3.47Å; V62-L65 PolarHBondContact O-N 3.41Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; L65-H68 CarbonylContact O-C 3.47Å; L65-A69 VanDerWaalsContact O-CA 3.23Å; L65-A69 WeakPolarHBondContact O-CA 3.19Å; L65-A69 PolarHBondContact O-N 3.31Å; L65-L72 HydrophobicContact CD1-CB 4.31Å; L65-L81 HydrophobicContact CD1-CD1 3.41Å; L65-L81 VanDerWaalsContact CD1-CD1 3.41Å; L65-L81 HydrophobicContact CD1-CD2 3.86Å; L65-L81 HydrophobicContact CD1-CG 4.25Å
66A71.6Confident78.1Confident70 Ų7076.9 Ų76.958%0.57944%0.435SS*.Hα-helixtrans-74-47173.800000110.9V62 D63 H68 A69V62-A66 PolarHBondContact O-N 3.18Å; D63-A66 WeakPolarHBondContact O-CB 3.4Å; D63-A66 PolarHBondContact O-N 3.34Å; A66-H68 PolarHBondContact O-N 3.21Å; A66-A69 PolarHBondContact O-N 2.94Å
67D72Confident80.4Confident130 Ų13072.6 Ų72.670%0.69541%0.408SS*.Hα-helixtrans-58.1-30.5175.7-73-16.6000112.9D63D63-D67 PolarHBondContact O-N 3.24Å
68H76.8Confident82.3Confident75 Ų7573.9 Ų73.935%0.34742%0.421SS..THydrogen-bonded Turntrans-123.543-176.2-61.480.1000111.7V64 L65 A66 G70 E71 L72V64-H68 PolarHBondContact O-N 3Å; V64-H68 PolarHBondContact O-ND1 3.31Å; L65-H68 CarbonylContact O-C 3.47Å; A66-H68 PolarHBondContact O-N 3.21Å; H68-G70 PolarHBondContact O-N 2.94Å; H68-E71 HydrophobicContact CB-CB 4.39Å; H68-E71 PolarHBondContact O-N 3.5Å; H68-L72 HydrophobicContact CB-CD1 3.79Å; H68-L72 HydrophobicContact CB-CG 3.95Å
69A70.3Confident84Confident85 Ų8570.8 Ų70.870%0.70240%0.404SS*.THydrogen-bonded Turntrans-47.9106.4-173.400000113.5L65 A66L65-A69 VanDerWaalsContact O-CA 3.23Å; L65-A69 WeakPolarHBondContact O-CA 3.19Å; L65-A69 PolarHBondContact O-N 3.31Å; A66-A69 PolarHBondContact O-N 2.94Å
70G77.4Confident85.3Confident65 Ų6564.8 Ų64.867%0.6738%0.381SS*.THydrogen-bonded Turntrans85.6-8.9178.300000116.3H68H68-G70 PolarHBondContact O-N 2.94Å
71E90.1Very high86Confident85 Ų8561 Ų6140%0.39736%0.361SS..THydrogen-bonded Turntrans-78.8-32.1172.3-74.2-156.7173.400112.9H68 S83 V84 K100H68-E71 HydrophobicContact CB-CB 4.39Å; H68-E71 PolarHBondContact O-N 3.5Å; E71-S83 CarbonylContact O-C 3.59Å; E71-S83 WeakPolarHBondContact O-CA 3.43Å; E71-V84 PolarHBondContact O-N 2.63Å; E71-K100 IonicContact OE2-NZ 3.24Å; E71-K100 PolarHBondContact OE2-NZ 3.37Å
72L94.4Very high86.9Confident12 Ų1259.3 Ų59.36%0.06335%0.351CS..EExtended strand (participates in β ladder)trans-112.1144.9-171.6-61.9-179.5000112.6V64 L65 H68 L81 C82 V102V64-L72 HydrophobicContact CG1-CD1 4.02Å; L65-L72 HydrophobicContact CD1-CB 4.31Å; H68-L72 HydrophobicContact CB-CD1 3.79Å; H68-L72 HydrophobicContact CB-CG 3.95Å; L72-L81 HydrophobicContact CD1-CD1 4.21Å; L72-C82 CarbonylContact C-O 3.58Å; L72-C82 WeakPolarHBondContact CA-O 3.49Å; L72-V102 HydrophobicContact CD1-CG2 4.04Å; L72-V102 HydrophobicContact CD2-CG2 4.09Å
73V95.4Very high87.8Confident40 Ų4055.3 Ų55.324%0.24233%0.327CS..EExtended strand (participates in β ladder)trans-127.7149.8175.864.30000110.5L81 C82 V84 Y172V73-L81 WeakPolarHBondContact O-CA 3.42Å; V73-C82 WeakPolarHBondContact CG1-O 3.49Å; V73-C82 PolarHBondContact N-O 3.16Å; V73-C82 PolarHBondContact O-N 2.96Å; V73-V84 HydrophobicContact CB-CG2 3.98Å; V73-V84 HydrophobicContact CG1-CG2 4.29Å; V73-Y172 HydrophobicContact CG1-CD1 4.34Å; V73-Y172 HydrophobicContact CG1-CE1 3.77Å; V73-Y172 HydrophobicContact CG1-CE2 4.17Å; V73-Y172 HydrophobicContact CG2-CE2 4.49Å
74R95.2Very high88.8Confident137 Ų13754.2 Ų54.252%0.51732%0.323SS..EExtended strand (participates in β ladder)trans-72.7139.6174.9-64.3178.8-178.7-171.5-4.5110.6V61 L81V61-R74 HydrophobicContact CG1-CG 4.11Å; V61-R74 VanDerWaalsContact CG1-NE 3.32Å; R74-L81 HydrophobicContact CB-CD2 4.27Å; R74-L81 HydrophobicContact CG-CD2 3.74Å
75T97.1Very high89.8Confident17 Ų1754.1 Ų54.110%0.10432%0.322CS..  trans-83.9-175.616565.60000110S77 F80 C82 I160 A170 T171T75-S77 PolarHBondContact O-N 3.38Å; T75-S77 PolarHBondContact OG1-N 3.25Å; T75-S77 VanDerWaalsContact OG1-N 3.16Å; T75-S77 PolarHBondContact OG1-O 2.77Å; T75-S77 VanDerWaalsContact OG1-O 3.08Å; T75-F80 PolarHBondContact N-O 3.4Å; T75-F80 PolarHBondContact OG1-O 3.23Å; T75-C82 HydrophobicContact CG2-CB 4.5Å; T75-I160 HydrophobicContact CG2-CD1 4.07Å; T75-A170 HydrophobicContact CG2-CB 4.08Å; T75-T171 WeakPolarHBondContact CA-O 3.41Å; T75-T171 WeakPolarHBondContact CB-O 3.38Å
76D96.6Very high90.6Very high88 Ų8853.3 Ų53.347%0.47132%0.32SS..SBendtrans-64.3-23.816565.7-7.8000113A170 T171D76-A170 WeakPolarHBondContact OD1-CA 3.34Å; D76-T171 VanDerWaalsContact CG-CB 3.5Å; D76-T171 VanDerWaalsContact CG-N 3.34Å; D76-T171 PolarHBondContact N-O 3.29Å; D76-T171 PolarHBondContact OD1-N 2.93Å; D76-T171 WeakPolarHBondContact OD2-CB 3.45Å; D76-T171 PolarHBondContact OD2-OG1 2.82Å
77S95.4Very high91.9Very high22 Ų2254.7 Ų54.715%0.15433%0.325CS..SBendtrans-89.4127.7-178-174.20000110.9T75 N79 F80T75-S77 PolarHBondContact O-N 3.38Å; T75-S77 PolarHBondContact OG1-N 3.25Å; T75-S77 VanDerWaalsContact OG1-N 3.16Å; T75-S77 PolarHBondContact OG1-O 2.77Å; T75-S77 VanDerWaalsContact OG1-O 3.08Å; S77-N79 PolarHBondContact O-N 3.28Å; S77-N79 VanDerWaalsContact O-N 3.16Å; S77-F80 PolarHBondContact O-N 2.88Å
78P93.9Very high93.1Very high102 Ų10250.4 Ų50.466%0.66230%0.301SS*.THydrogen-bonded Turntrans-66.1-18.4179.728.8-35.6000112.9
79N94.8Very high94.2Very high70 Ų7048.7 Ų48.737%0.37429%0.291SS..THydrogen-bonded Turntrans-84.6-16.1-176.2-63.8-5.2000113.3S77 L104 Q168S77-N79 PolarHBondContact O-N 3.28Å; S77-N79 VanDerWaalsContact O-N 3.16Å; N79-L104 PolarHBondContact O-N 3.21Å; N79-Q168 PolarHBondContact ND2-OE1 2.95Å
80F96.8Very high95.5Very high2 Ų250.8 Ų50.81%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-131.9133.2-168.4-62.7-73.4000114T75 S77 V101 V102 A103 V107 V162 Q168 A170T75-F80 PolarHBondContact N-O 3.4Å; T75-F80 PolarHBondContact OG1-O 3.23Å; S77-F80 PolarHBondContact O-N 2.88Å; F80-V101 HydrophobicContact CD1-CG1 4.33Å; F80-V102 WeakPolarHBondContact CA-O 3.37Å; F80-A103 HydrophobicContact CD1-CB 4.09Å; F80-A103 HydrophobicContact CE1-CB 3.75Å; F80-V107 HydrophobicContact CE1-CG2 4.19Å; F80-V107 HydrophobicContact CZ-CG2 4.29Å; F80-V162 HydrophobicContact CD1-CG2 4.23Å; F80-V162 HydrophobicContact CE1-CB 4.37Å; F80-V162 HydrophobicContact CE1-CG1 4.28Å; F80-V162 HydrophobicContact CE1-CG2 3.75Å; F80-V162 HydrophobicContact CE2-CG2 4.5Å; F80-V162 HydrophobicContact CZ-CB 4.14Å; F80-V162 HydrophobicContact CZ-CG1 4.19Å; F80-V162 HydrophobicContact CZ-CG2 3.91Å; F80-Q168 HydrophobicContact CE2-CB 3.8Å; F80-Q168 HydrophobicContact CE2-CG 4.41Å; F80-Q168 HydrophobicContact CZ-CB 4.18Å; F80-A170 HydrophobicContact CB-CB 4Å; F80-A170 HydrophobicContact CD2-CB 4.13Å; F80-A170 HydrophobicContact CG-CB 4.35Å
81L97.2Very high96.5Very high3 Ų349.1 Ų49.12%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-111.4157.6168.8-54.5174.1000109.4V61 V64 L65 L72 V73 R74 V101 V102 L104V61-L81 HydrophobicContact CG1-CD2 3.96Å; V64-L81 HydrophobicContact CB-CD1 4.24Å; V64-L81 HydrophobicContact CG1-CD1 3.75Å; L65-L81 HydrophobicContact CD1-CD1 3.41Å; L65-L81 VanDerWaalsContact CD1-CD1 3.41Å; L65-L81 HydrophobicContact CD1-CD2 3.86Å; L65-L81 HydrophobicContact CD1-CG 4.25Å; L72-L81 HydrophobicContact CD1-CD1 4.21Å; V73-L81 WeakPolarHBondContact O-CA 3.42Å; R74-L81 HydrophobicContact CB-CD2 4.27Å; R74-L81 HydrophobicContact CG-CD2 3.74Å; L81-V101 CarbonylContact O-C 3.56Å; L81-V101 WeakPolarHBondContact O-CA 3.45Å; L81-V102 HydrophobicContact CB-CB 4.29Å; L81-V102 PolarHBondContact N-O 2.75Å; L81-V102 PolarHBondContact O-N 3.16Å; L81-L104 HydrophobicContact CD1-CD1 4.28Å; L81-L104 HydrophobicContact CD1-CD2 4.01Å; L81-L104 HydrophobicContact CD1-CG 4.44Å; L81-L104 HydrophobicContact CD2-CD1 4.49Å; L81-L104 HydrophobicContact CG-CD1 4.1Å; L81-L104 HydrophobicContact CG-CD2 4.5Å; L81-L104 HydrophobicContact CG-CG 4.41Å
82C97.3Very high96.9Very high0 Ų048.4 Ų48.40%026%0.258CS..EExtended strand (participates in β ladder)trans-139.9167170.865.40000111.7L72 V73 T75 F99 K100 V101 I160 Y172L72-C82 CarbonylContact C-O 3.58Å; L72-C82 WeakPolarHBondContact CA-O 3.49Å; V73-C82 WeakPolarHBondContact CG1-O 3.49Å; V73-C82 PolarHBondContact N-O 3.16Å; V73-C82 PolarHBondContact O-N 2.96Å; T75-C82 HydrophobicContact CG2-CB 4.5Å; C82-F99 HydrophobicContact CB-CE2 3.92Å; C82-F99 HydrophobicContact CB-CZ 3.65Å; C82-K100 CarbonylContact C-O 3.58Å; C82-K100 VanDerWaalsContact CA-O 3.22Å; C82-K100 WeakPolarHBondContact CA-O 3.44Å; C82-V101 HydrophobicContact CB-CG2 4.21Å; C82-I160 HydrophobicContact CB-CD1 3.99Å; C82-Y172 VanDerWaalsContact SG-CD1 3.52Å
83S97.5Very high97.1Very high4 Ų453 Ų533%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-66.4138.5176.8-63.70000112E71 L85 F99 K100E71-S83 CarbonylContact O-C 3.59Å; E71-S83 WeakPolarHBondContact O-CA 3.43Å; S83-L85 PolarHBondContact O-N 2.89Å; S83-F99 WeakPolarHBondContact O-CE2 3.42Å; S83-K100 PolarHBondContact N-O 2.95Å; S83-K100 WeakPolarHBondContact OG-CB 3.38Å; S83-K100 PolarHBondContact OG-N 2.98Å
84V97.4Very high97.3Very high70 Ų7054 Ų5442%0.42428%0.283SS..PPolyproline II helixtrans-56.8130.7168.2176.50000109.4E71 V73E71-V84 PolarHBondContact O-N 2.63Å; V73-V84 HydrophobicContact CB-CG2 3.98Å; V73-V84 HydrophobicContact CG1-CG2 4.29Å
85L98.2Very high97.4Very high12 Ų1248.1 Ų48.16%0.06326%0.262CS..PPolyproline II helixtrans-102.4151.3177.1-73.8175000111.6S83 S87 L95 F99 F146 L158 Y172 A175 I176S83-L85 PolarHBondContact O-N 2.89Å; L85-S87 PolarHBondContact O-N 2.91Å; L85-L95 HydrophobicContact CD2-CD1 3.65Å; L85-L95 HydrophobicContact CD2-CD2 3.97Å; L85-L95 HydrophobicContact CD2-CG 4.44Å; L85-F99 HydrophobicContact CD1-CD2 4.28Å; L85-F99 HydrophobicContact CD1-CE2 4.06Å; L85-F99 HydrophobicContact CD2-CD2 3.77Å; L85-F99 HydrophobicContact CD2-CE2 4.33Å; L85-F99 HydrophobicContact CG-CD2 4.02Å; L85-F99 HydrophobicContact CG-CE2 4.08Å; L85-F146 HydrophobicContact CD1-CE2 4.39Å; L85-F146 HydrophobicContact CD1-CZ 4.04Å; L85-L158 HydrophobicContact CD1-CD1 3.51Å; L85-Y172 HydrophobicContact CD1-CE1 4.45Å; L85-Y172 HydrophobicContact CG-CE1 4.49Å; L85-A175 HydrophobicContact CD1-CB 4.31Å; L85-I176 HydrophobicContact CB-CB 4.4Å; L85-I176 HydrophobicContact CB-CD1 4.36Å; L85-I176 HydrophobicContact CD1-CB 4.42Å; L85-I176 HydrophobicContact CD1-CG2 4.22Å
86P97.9Very high97.4Very high30 Ų3051.4 Ų51.420%0.19528%0.284CS..PPolyproline II helixtrans-58.8127.5170.1-21.833.1000110.6H88 W89 P96 I176P86-H88 PolarHBondContact O-N 2.97Å; P86-W89 HydrophobicContact CB-CD2 4.43Å; P86-W89 HydrophobicContact CB-CE3 3.8Å; P86-W89 HydrophobicContact CB-CZ3 4.44Å; P86-W89 HydrophobicContact CG-CD2 4.28Å; P86-W89 HydrophobicContact CG-CE3 3.87Å; P86-W89 HydrophobicContact CG-CZ3 4.3Å; P86-P96 HydrophobicContact CG-CG 3.65Å; P86-I176 VanDerWaalsContact O-CG1 3.3Å; P86-I176 WeakPolarHBondContact O-CG1 3.41Å
87S97.9Very high97.3Very high99 Ų9950.9 Ų50.969%0.69228%0.284SS*.SBendtrans-58.5-22.9-179.461.60000113.5L85 K177L85-S87 PolarHBondContact O-N 2.91Å; S87-K177 WeakPolarHBondContact O-CB 3.46Å; S87-K177 PolarHBondContact O-N 2.93Å
88H98.6Very high97.4Very high41 Ų4151.5 Ų51.519%0.1929%0.291CS..EExtended strand (participates in β ladder)trans-140.6129.6172.2-173.8-179.7000109P86 K177 T179 G182 P183P86-H88 PolarHBondContact O-N 2.97Å; H88-K177 CarbonylContact C-O 3.46Å; H88-K177 VanDerWaalsContact CA-O 3.31Å; H88-K177 WeakPolarHBondContact CA-O 3.42Å; H88-K177 VanDerWaalsContact CD2-CE 3.42Å; H88-K177 WeakPolarHBondContact CD2-CE 3.18Å; H88-K177 PolarHBondContact CD2-O 2.94Å; H88-K177 WeakPolarHBondContact ND1-CE 3.46Å; H88-K177 PolarHBondContact ND1-NZ 3.03Å; H88-T179 PolarHBondContact NE2-OG1 2.89Å; H88-G182 VanDerWaalsContact CE1-C 3.42Å; H88-G182 PolarHBondContact CE1-O 2.89Å; H88-G182 PolarHBondContact NE2-O 2.83Å; H88-P183 HydrophobicContact CB-CG 4.19Å; H88-P183 VanDerWaalsContact O-CD 3.32Å; H88-P183 WeakPolarHBondContact O-CD 3.42Å; H88-P183 WeakPolarHBondContact O-CG 3.5Å
89W98.6Very high97.6Very high38 Ų3846.7 Ų46.714%0.14426%0.259CS..EExtended strand (participates in β ladder)trans-137.4166.1175.8-155.4-119000114P86 K93 T94 L95 P96 I176 K177 T179 G182P86-W89 HydrophobicContact CB-CD2 4.43Å; P86-W89 HydrophobicContact CB-CE3 3.8Å; P86-W89 HydrophobicContact CB-CZ3 4.44Å; P86-W89 HydrophobicContact CG-CD2 4.28Å; P86-W89 HydrophobicContact CG-CE3 3.87Å; P86-W89 HydrophobicContact CG-CZ3 4.3Å; W89-K93 HydrophobicContact CH2-CD 4.5Å; W89-K93 HydrophobicContact CZ2-CD 3.77Å; W89-K93 VanDerWaalsContact CZ2-CE 3.49Å; W89-K93 HydrophobicContact CZ2-CG 4.11Å; W89-K93 PolarHBondContact NE1-O 3.39Å; W89-T94 WeakPolarHBondContact CZ2-O 3.43Å; W89-T94 PolarHBondContact NE1-O 3.36Å; W89-L95 HydrophobicContact CG-CD2 4.34Å; W89-P96 HydrophobicContact CH2-CB 4.2Å; W89-P96 HydrophobicContact CH2-CG 4.08Å; W89-P96 HydrophobicContact CZ3-CG 4.31Å; W89-I176 HydrophobicContact CB-CD1 3.76Å; W89-I176 HydrophobicContact CB-CG1 4.29Å; W89-K177 PolarHBondContact N-O 2.82Å; W89-T179 PolarHBondContact O-N 2.72Å; W89-T179 VanDerWaalsContact O-N 3.12Å; W89-G182 VanDerWaalsContact C-CA 3.47Å; W89-G182 WeakPolarHBondContact O-CA 3.4Å
90R98.6Very high97.7Very high129 Ų12945.6 Ų45.649%0.48725%0.251SS..EExtended strand (participates in β ladder)trans-88.4133.4177.4-170.9172.8-174.2-163.5-8.5110.7K93 T179 V180 D181R90-K93 HydrophobicContact CB-CB 3.98Å; R90-K93 HydrophobicContact CB-CD 4.08Å; R90-K93 HydrophobicContact CG-CB 4.42Å; R90-K93 PolarHBondContact O-N 2.9Å; R90-T179 CarbonylContact C-O 3.56Å; R90-T179 WeakPolarHBondContact CA-O 3.42Å; R90-V180 VanDerWaalsContact CG-O 3.3Å; R90-V180 WeakPolarHBondContact CG-O 3.42Å; R90-V180 PolarHBondContact NE-O 3.43Å; R90-D181 WeakPolarHBondContact CD-O 3.38Å; R90-D181 WeakPolarHBondContact CG-O 3.37Å
91C98.4Very high97.8Very high31 Ų3145.5 Ų45.521%0.20925%0.25CS..THydrogen-bonded Turntrans-61.1143.1176.862.30000112.2K93 F146 V147 V178 T179C91-K93 PolarHBondContact O-N 3.45Å; C91-F146 CarbonylContact C-O 3.53Å; C91-F146 WeakPolarHBondContact CA-O 3.38Å; C91-V147 WeakPolarHBondContact CB-O 3.49Å; C91-V178 HydrophobicContact CB-CG1 3.8Å; C91-T179 PolarHBondContact N-O 3.15Å
92N98.5Very high97.8Very high70 Ų7045.8 Ų45.837%0.37425%0.253SS..THydrogen-bonded Turntrans55.812.8-177.2-156.911.1000115.5R128 R145 F146 V147N92-R128 WeakPolarHBondContact OD1-CD 3.38Å; N92-R128 PolarHBondContact OD1-NH1 3.3Å; N92-R145 VanDerWaalsContact O-CD 3.28Å; N92-R145 WeakPolarHBondContact O-CD 3.28Å; N92-R145 PolarHBondContact O-NH1 3.43Å; N92-F146 PolarHBondContact N-O 2.92Å; N92-V147 HydrophobicContact CB-CG2 4.29Å
93K98.3Very high97.7Very high107 Ų10745.8 Ų45.847%0.46525%0.253SS..  trans-93.2129.6170.5-174.8-179167.963.70109.9W89 R90 C91 L95W89-K93 HydrophobicContact CH2-CD 4.5Å; W89-K93 HydrophobicContact CZ2-CD 3.77Å; W89-K93 VanDerWaalsContact CZ2-CE 3.49Å; W89-K93 HydrophobicContact CZ2-CG 4.11Å; W89-K93 PolarHBondContact NE1-O 3.39Å; R90-K93 HydrophobicContact CB-CB 3.98Å; R90-K93 HydrophobicContact CB-CD 4.08Å; R90-K93 HydrophobicContact CG-CB 4.42Å; R90-K93 PolarHBondContact O-N 2.9Å; C91-K93 PolarHBondContact O-N 3.45Å; K93-L95 PolarHBondContact O-N 3.35Å
94T98.3Very high97.6Very high61 Ų6146.1 Ų46.137%0.37425%0.254SS..  trans-43.2134.5167.1-61.30000111.5W89 D143 R145W89-T94 WeakPolarHBondContact CZ2-O 3.43Å; W89-T94 PolarHBondContact NE1-O 3.36Å; T94-D143 WeakPolarHBondContact CA-OD1 3.38Å; T94-D143 WeakPolarHBondContact CB-OD1 3.49Å; T94-D143 WeakPolarHBondContact CG2-OD1 3.48Å; T94-D143 PolarHBondContact OG1-OD1 2.82Å; T94-R145 VanDerWaalsContact OG1-CZ 3.23Å; T94-R145 PolarHBondContact OG1-NE 2.65Å; T94-R145 PolarHBondContact OG1-NH2 3.1Å; T94-R145 VanDerWaalsContact OG1-NH2 3.17Å
95L98.3Very high97.3Very high14 Ų1444 Ų447%0.07325%0.246CC..  trans-65152.3175.1-68.9169000111.2L85 W89 K93 V97 F99 L144 F146 I176L85-L95 HydrophobicContact CD2-CD1 3.65Å; L85-L95 HydrophobicContact CD2-CD2 3.97Å; L85-L95 HydrophobicContact CD2-CG 4.44Å; W89-L95 HydrophobicContact CG-CD2 4.34Å; K93-L95 PolarHBondContact O-N 3.35Å; L95-V97 VanDerWaalsContact CB-O 3.31Å; L95-V97 WeakPolarHBondContact CB-O 3.26Å; L95-V97 PolarHBondContact O-N 2.83Å; L95-F99 HydrophobicContact CD1-CB 4.21Å; L95-L144 HydrophobicContact CD1-CB 4.26Å; L95-L144 HydrophobicContact CD1-CD2 4.34Å; L95-L144 HydrophobicContact CD1-CG 4.41Å; L95-F146 HydrophobicContact CD1-CE2 4.29Å; L95-F146 HydrophobicContact CD2-CD2 4.47Å; L95-F146 HydrophobicContact CD2-CE2 4.23Å; L95-I176 HydrophobicContact CD2-CD1 4.24Å
96P96.8Very high97Very high87 Ų8747.6 Ų47.657%0.56527%0.266SS*.SBendtrans-69.3-24.3-179.929.6-34.1000112.7P86 W89P86-P96 HydrophobicContact CG-CG 3.65Å; W89-P96 HydrophobicContact CH2-CB 4.2Å; W89-P96 HydrophobicContact CH2-CG 4.08Å; W89-P96 HydrophobicContact CZ3-CG 4.31Å
97V95.5Very high97Very high77 Ų7746.4 Ų46.447%0.46726%0.258SS..SBendtrans-127.9141174.2-178.50000107.6L95 F99L95-V97 VanDerWaalsContact CB-O 3.31Å; L95-V97 WeakPolarHBondContact CB-O 3.26Å; L95-V97 PolarHBondContact O-N 2.83Å; V97-F99 PolarHBondContact O-N 2.84Å
98A96Very high97Very high35 Ų3546 Ų4629%0.28925%0.253SS..  trans-68.1122.8175.800000110.2K100A98-K100 PolarHBondContact O-N 3.3Å
99F98.4Very high96.9Very high1 Ų148.1 Ų48.10%0.00427%0.265CS..  trans-63.9130.4-179.2-173.2-105.9000111.2C82 S83 L85 L95 V97 V101 V115 F141 L144 L158 I160C82-F99 HydrophobicContact CB-CE2 3.92Å; C82-F99 HydrophobicContact CB-CZ 3.65Å; S83-F99 WeakPolarHBondContact O-CE2 3.42Å; L85-F99 HydrophobicContact CD1-CD2 4.28Å; L85-F99 HydrophobicContact CD1-CE2 4.06Å; L85-F99 HydrophobicContact CD2-CD2 3.77Å; L85-F99 HydrophobicContact CD2-CE2 4.33Å; L85-F99 HydrophobicContact CG-CD2 4.02Å; L85-F99 HydrophobicContact CG-CE2 4.08Å; L95-F99 HydrophobicContact CD1-CB 4.21Å; V97-F99 PolarHBondContact O-N 2.84Å; F99-V101 HydrophobicContact CE1-CG2 3.73Å; F99-V101 HydrophobicContact CZ-CG2 4.24Å; F99-V115 HydrophobicContact CD1-CG2 4.43Å; F99-V115 HydrophobicContact CE1-CG2 3.81Å; F99-F141 HydrophobicContact CB-CB 4.44Å; F99-F141 AromaticContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CE2 4Å; F99-F141 HydrophobicContact CD1-CG 4.08Å; F99-F141 HydrophobicContact CE1-CD2 4.28Å; F99-F141 HydrophobicContact CE1-CE2 4.2Å; F99-F141 WeakPolarHBondContact O-CB 3.5Å; F99-F141 PolarHBondContact O-N 3.01Å; F99-L144 HydrophobicContact CB-CB 4.42Å; F99-L144 HydrophobicContact CB-CD2 3.79Å; F99-L144 HydrophobicContact CD1-CD2 3.63Å; F99-L144 HydrophobicContact CE1-CD2 4.35Å; F99-L144 HydrophobicContact CG-CD2 3.77Å; F99-L158 HydrophobicContact CZ-CD1 4.39Å; F99-I160 HydrophobicContact CZ-CD1 4.32Å
100K97.8Very high96.9Very high46 Ų4649 Ų4920%0.229%0.286CS..EExtended strand (participates in β ladder)trans-117.9148.5176.1-50.7166.9-168.2168.50108.8E71 C82 S83 A98 V138 A139E71-K100 IonicContact OE2-NZ 3.24Å; E71-K100 PolarHBondContact OE2-NZ 3.37Å; C82-K100 CarbonylContact C-O 3.58Å; C82-K100 VanDerWaalsContact CA-O 3.22Å; C82-K100 WeakPolarHBondContact CA-O 3.44Å; S83-K100 PolarHBondContact N-O 2.95Å; S83-K100 WeakPolarHBondContact OG-CB 3.38Å; S83-K100 PolarHBondContact OG-N 2.98Å; A98-K100 PolarHBondContact O-N 3.3Å; K100-V138 HydrophobicContact CB-CG1 4.16Å; K100-V138 HydrophobicContact CG-CG1 4.49Å; K100-A139 CarbonylContact C-O 3.22Å; K100-A139 WeakPolarHBondContact CA-O 3.39Å
101V98.1Very high96.9Very high0 Ų043.5 Ų43.50%027%0.267CS..EExtended strand (participates in β ladder)trans-117.6132.9159.8174.60000107.2F80 L81 C82 F99 V138 A139 F141 I160F80-V101 HydrophobicContact CD1-CG1 4.33Å; L81-V101 CarbonylContact O-C 3.56Å; L81-V101 WeakPolarHBondContact O-CA 3.45Å; C82-V101 HydrophobicContact CB-CG2 4.21Å; F99-V101 HydrophobicContact CE1-CG2 3.73Å; F99-V101 HydrophobicContact CZ-CG2 4.24Å; V101-V138 CarbonylContact O-C 3.58Å; V101-V138 WeakPolarHBondContact O-CA 3.22Å; V101-A139 HydrophobicContact CB-CB 4.41Å; V101-A139 PolarHBondContact N-O 2.77Å; V101-A139 PolarHBondContact O-N 3.33Å; V101-F141 HydrophobicContact CB-CE2 4.38Å; V101-F141 HydrophobicContact CG2-CE2 3.79Å; V101-F141 HydrophobicContact CG2-CZ 4.47Å; V101-I160 HydrophobicContact CG1-CG2 4.12Å; V101-I160 HydrophobicContact CG2-CD1 4.17Å; V101-I160 HydrophobicContact CG2-CG2 3.82Å
102V97.3Very high96.9Very high10 Ų1045.7 Ų45.76%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-121.2128.9-175.3-175.80000109.1V64 L72 F80 L81 Q137 V138V64-V102 HydrophobicContact CG1-CG1 4.37Å; L72-V102 HydrophobicContact CD1-CG2 4.04Å; L72-V102 HydrophobicContact CD2-CG2 4.09Å; F80-V102 WeakPolarHBondContact CA-O 3.37Å; L81-V102 HydrophobicContact CB-CB 4.29Å; L81-V102 PolarHBondContact N-O 2.75Å; L81-V102 PolarHBondContact O-N 3.16Å; V102-Q137 WeakPolarHBondContact CA-O 3.46Å; V102-V138 HydrophobicContact CG1-CG2 4.34Å; V102-V138 HydrophobicContact CG2-CG1 4.31Å; V102-V138 HydrophobicContact CG2-CG2 4.21Å
103A96.4Very high96.9Very high0 Ų042.3 Ų42.30%026%0.258CS..EExtended strand (participates in β ladder)trans-96.7134.4177.200000111.3F80 V107 M134 Q137F80-A103 HydrophobicContact CD1-CB 4.09Å; F80-A103 HydrophobicContact CE1-CB 3.75Å; A103-V107 HydrophobicContact CB-CB 4.15Å; A103-V107 HydrophobicContact CB-CG2 3.73Å; A103-M134 HydrophobicContact CB-CE 3.97Å; A103-M134 HydrophobicContact CB-SD 4.45Å; A103-Q137 HydrophobicContact CB-CB 4.5Å; A103-Q137 PolarHBondContact N-O 2.97Å; A103-Q137 WeakPolarHBondContact O-CB 3.21Å; A103-Q137 PolarHBondContact O-NE2 3.08Å
104L94.1Very high97Very high10 Ų1038.8 Ų38.85%0.05225%0.245CC..SBendtrans-95.3-37.3-177.1-64.6176.7000113.3R59 V61 V64 N79 L81R59-L104 HydrophobicContact CB-CD2 4.17Å; R59-L104 PolarHBondContact N-O 2.78Å; V61-L104 HydrophobicContact CB-CD1 4.16Å; V61-L104 HydrophobicContact CG1-CD1 4.04Å; V61-L104 HydrophobicContact CG2-CD1 3.85Å; V64-L104 HydrophobicContact CB-CD2 4.04Å; V64-L104 HydrophobicContact CG1-CD2 4.21Å; V64-L104 HydrophobicContact CG2-CD2 3.72Å; N79-L104 PolarHBondContact O-N 3.21Å; L81-L104 HydrophobicContact CD1-CD1 4.28Å; L81-L104 HydrophobicContact CD1-CD2 4.01Å; L81-L104 HydrophobicContact CD1-CG 4.44Å; L81-L104 HydrophobicContact CD2-CD1 4.49Å; L81-L104 HydrophobicContact CG-CD1 4.1Å; L81-L104 HydrophobicContact CG-CD2 4.5Å; L81-L104 HydrophobicContact CG-CG 4.41Å
105G91.3Very high97Very high25 Ų2536.1 Ų36.126%0.25823%0.229SC..SBendtrans-94.1157.1162.600000111.2V107 Q137G105-V107 PolarHBondContact O-N 2.93Å; G105-Q137 PolarHBondContact O-NE2 3.23Å
106D93.1Very high97Very high89 Ų8939.6 Ų39.648%0.47625%0.246SC..  trans-57.8128.7-171-75.3-65000114.3R55R55-D106 IonicContact CZ-OD1 3.6Å; R55-D106 VanDerWaalsContact CZ-OD1 3.24Å; R55-D106 IonicContact NH1-OD1 3.77Å; R55-D106 PolarHBondContact NH1-OD1 3.14Å; R55-D106 IonicContact NH1-OD2 2.72Å; R55-D106 PolarHBondContact NH1-OD2 3.38Å; R55-D106 IonicContact NH2-OD1 2.77Å; R55-D106 PolarHBondContact NH2-OD1 2.71Å
107V97.1Very high97.1Very high5 Ų535.6 Ų35.63%0.0322%0.22CC..  trans-130.1121.1171.61760000107.5F80 A103 G105 T111 M134 Q137 V162 T164F80-V107 HydrophobicContact CE1-CG2 4.19Å; F80-V107 HydrophobicContact CZ-CG2 4.29Å; A103-V107 HydrophobicContact CB-CB 4.15Å; A103-V107 HydrophobicContact CB-CG2 3.73Å; G105-V107 PolarHBondContact O-N 2.93Å; V107-T111 HydrophobicContact CG1-CG2 3.83Å; V107-M134 HydrophobicContact CB-CE 4.27Å; V107-M134 HydrophobicContact CB-CG 4.26Å; V107-M134 HydrophobicContact CG1-CB 4.41Å; V107-M134 HydrophobicContact CG1-CE 3.98Å; V107-M134 HydrophobicContact CG1-CG 3.91Å; V107-Q137 PolarHBondContact O-OE1 2.91Å; V107-V162 HydrophobicContact CG1-CG1 3.97Å; V107-T164 HydrophobicContact CG1-CG2 3.91Å; V107-T164 HydrophobicContact CG2-CG2 4.37Å
108P97.4Very high97.3Very high90 Ų9032.6 Ų32.658%0.58421%0.205SC*.  trans-64.6139.4-170.922.7-30.6000112.4T111P108-T111 VanDerWaalsContact O-CB 3.26Å; P108-T111 WeakPolarHBondContact O-CB 3.29Å; P108-T111 PolarHBondContact O-N 3.08Å; P108-T111 VanDerWaalsContact O-N 3.1Å; P108-T111 PolarHBondContact O-OG1 3.35Å
109D97.8Very high97.4Very high86 Ų8632.1 Ų32.146%0.4620%0.198SC..THydrogen-bonded Turntrans-54.1138.7173.1-85.427.2000110.9M134 K135 N136D109-M134 WeakPolarHBondContact CA-O 3.3Å; D109-K135 WeakPolarHBondContact OD1-CA 3.28Å; D109-K135 WeakPolarHBondContact OD2-CG 3.31Å; D109-N136 PolarHBondContact OD1-N 2.78Å; D109-N136 PolarHBondContact OD2-N 2.87Å
110G98.2Very high97.3Very high55 Ų5538.7 Ų38.757%0.56723%0.233SC*.THydrogen-bonded Turntrans93.5-14.8-171.200000114.5L112 V133 M134G110-L112 PolarHBondContact O-N 2.69Å; G110-V133 VanDerWaalsContact CA-CG1 3.49Å; G110-M134 PolarHBondContact N-O 3.03Å
111T98.6Very high97.3Very high15 Ų1542 Ų429%0.09225%0.249CC..  trans-58.2126.8175-60.50000110.9V107 P108 M134 V162 T164V107-T111 HydrophobicContact CG1-CG2 3.83Å; P108-T111 VanDerWaalsContact O-CB 3.26Å; P108-T111 WeakPolarHBondContact O-CB 3.29Å; P108-T111 PolarHBondContact O-N 3.08Å; P108-T111 VanDerWaalsContact O-N 3.1Å; P108-T111 PolarHBondContact O-OG1 3.35Å; T111-M134 WeakPolarHBondContact O-CB 3.11Å; T111-M134 PolarHBondContact O-N 3.16Å; T111-V162 HydrophobicContact CG2-CG1 3.85Å; T111-T164 HydrophobicContact CG2-CG2 4.25Å
112L98.6Very high97.3Very high76 Ų7644 Ų4440%0.39826%0.26SS..EExtended strand (participates in β ladder)trans-68.9141.1174.8-175.668.9000110.3G110 T114 F163G110-L112 PolarHBondContact O-N 2.69Å; L112-T114 HydrophobicContact CD2-CG2 4.29Å; L112-T114 HydrophobicContact CG-CG2 4.32Å; L112-F163 HydrophobicContact CB-CB 4.23Å; L112-F163 HydrophobicContact CB-CD2 4.14Å; L112-F163 HydrophobicContact CB-CG 4.4Å; L112-F163 HydrophobicContact CD2-CD2 4.14Å; L112-F163 HydrophobicContact CD2-CE2 4.31Å; L112-F163 HydrophobicContact CG-CD2 4.12Å; L112-F163 WeakPolarHBondContact O-CD2 3.42Å; L112-F163 PolarHBondContact O-N 2.94Å
113V98.8Very high97.3Very high0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-127.5134.5167.9-171.50000108.8S131 A132 M134 A139 F141 I160 T161 V162V113-S131 CarbonylContact O-C 3.58Å; V113-S131 WeakPolarHBondContact O-CA 3.32Å; V113-A132 PolarHBondContact N-O 2.7Å; V113-A132 PolarHBondContact O-N 3.03Å; V113-M134 HydrophobicContact CG2-CE 3.94Å; V113-A139 HydrophobicContact CB-CB 3.94Å; V113-A139 HydrophobicContact CG2-CB 3.56Å; V113-F141 HydrophobicContact CB-CZ 4.25Å; V113-F141 HydrophobicContact CG1-CE2 4.46Å; V113-F141 HydrophobicContact CG1-CZ 3.97Å; V113-I160 HydrophobicContact CG1-CG2 3.79Å; V113-T161 CarbonylContact C-O 3.51Å; V113-T161 VanDerWaalsContact CA-O 3.29Å; V113-T161 WeakPolarHBondContact CA-O 3.5Å; V113-V162 HydrophobicContact CG1-CG2 3.95Å; V113-V162 HydrophobicContact CG2-CG1 4.28Å; V113-V162 HydrophobicContact CG2-CG2 4.08Å
114T98.8Very high97.4Very high33 Ų3357.5 Ų57.520%0.20232%0.322CS..EExtended strand (participates in β ladder)trans-122.6160.2172.1650000112L112 A130 I160 T161 F163L112-T114 HydrophobicContact CD2-CG2 4.29Å; L112-T114 HydrophobicContact CG-CG2 4.32Å; T114-A130 CarbonylContact C-O 3.46Å; T114-A130 VanDerWaalsContact CA-O 3.28Å; T114-A130 WeakPolarHBondContact CA-O 3.4Å; T114-I160 WeakPolarHBondContact O-CA 3.42Å; T114-T161 PolarHBondContact N-O 2.94Å; T114-T161 PolarHBondContact O-N 2.63Å; T114-F163 HydrophobicContact CG2-CE2 3.85Å; T114-F163 HydrophobicContact CG2-CZ 4.49Å; T114-F163 WeakPolarHBondContact OG1-CE2 3.32Å
115V98.8Very high97.6Very high5 Ų557.4 Ų57.43%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-122.4133.3172.3178.80000108.5F99 L127 A130 F141 L158 T159 I160F99-V115 HydrophobicContact CD1-CG2 4.43Å; F99-V115 HydrophobicContact CE1-CG2 3.81Å; V115-L127 HydrophobicContact CB-CD1 4.48Å; V115-L127 HydrophobicContact CG1-CD1 4.12Å; V115-L127 WeakPolarHBondContact O-CD1 3.17Å; V115-A130 PolarHBondContact N-O 3.11Å; V115-F141 HydrophobicContact CB-CE1 4.49Å; V115-F141 HydrophobicContact CG2-CD1 4.46Å; V115-F141 HydrophobicContact CG2-CE1 3.68Å; V115-F141 HydrophobicContact CG2-CE2 4.32Å; V115-F141 HydrophobicContact CG2-CZ 3.61Å; V115-L158 HydrophobicContact CG1-CB 4.29Å; V115-L158 HydrophobicContact CG1-CD1 4.27Å; V115-L158 HydrophobicContact CG1-CD2 4.46Å; V115-T159 WeakPolarHBondContact CA-O 3.17Å; V115-I160 HydrophobicContact CG2-CG1 4.4Å
116M98.7Very high97.9Very high87 Ų8762 Ų6243%0.42934%0.338SS..EExtended strand (participates in β ladder)trans-112.9155.3162.3-61.4-178.2-68.200108.8L158 T159M116-L158 CarbonylContact O-C 3.6Å; M116-L158 VanDerWaalsContact O-CA 3.28Å; M116-L158 WeakPolarHBondContact O-CA 3.18Å; M116-T159 HydrophobicContact CE-CG2 4.06Å; M116-T159 PolarHBondContact N-O 3.39Å; M116-T159 PolarHBondContact O-N 2.91Å
117A98.7Very high98.2Very high2 Ų259.2 Ų59.22%0.01732%0.323CS..EExtended strand (participates in β ladder)trans-132.1131.9176.800000109.5A125 L127 F146 F156 T157 L158A117-A125 HydrophobicContact CB-CB 4.38Å; A117-A125 WeakPolarHBondContact O-CB 3.49Å; A117-A125 PolarHBondContact O-N 3.49Å; A117-L127 HydrophobicContact CB-CD1 4.08Å; A117-L127 HydrophobicContact CB-CD2 3.97Å; A117-L127 HydrophobicContact CB-CG 4.36Å; A117-F146 HydrophobicContact CB-CD1 4.23Å; A117-F146 HydrophobicContact CB-CE1 4.01Å; A117-F156 HydrophobicContact CB-CB 4.17Å; A117-F156 HydrophobicContact CB-CD1 4.47Å; A117-F156 HydrophobicContact CB-CD2 4.13Å; A117-F156 HydrophobicContact CB-CG 4.04Å; A117-T157 WeakPolarHBondContact CA-O 3.31Å; A117-L158 HydrophobicContact CB-CD2 3.56Å
118G98.6Very high98.3Very high15 Ų1563.6 Ų63.616%0.15534%0.339CS..EExtended strand (participates in β ladder)trans-155.9157.4-175.800000114.3N122 Y123 T157G118-N122 WeakPolarHBondContact CA-O 3.35Å; G118-Y123 WeakPolarHBondContact CA-O 3.06Å; G118-T157 PolarHBondContact N-O 2.95Å; G118-T157 PolarHBondContact O-N 2.82Å
119N98.5Very high98.3Very high25 Ų2562.5 Ų62.513%0.13433%0.328CS..BIsolated β-bridgetrans-161.1-178.7164.16818.6000110.3E121 N122 Y123 S150 S155N119-E121 PolarHBondContact O-N 3.23Å; N119-E121 VanDerWaalsContact O-N 3.14Å; N119-E121 WeakPolarHBondContact OD1-CB 3.33Å; N119-E121 PolarHBondContact OD1-N 2.84Å; N119-N122 PolarHBondContact N-O 3.17Å; N119-N122 CarbonylContact O-C 3.58Å; N119-N122 PolarHBondContact O-N 3.36Å; N119-N122 VanDerWaalsContact O-O 3.11Å; N119-N122 PolarHBondContact OD1-N 3.32Å; N119-Y123 WeakPolarHBondContact O-CA 3.36Å; N119-Y123 PolarHBondContact O-N 3.41Å; N119-S150 PolarHBondContact ND2-O 3Å; N119-S155 PolarHBondContact ND2-O 3.4Å
120D97.7Very high98.3Very high139 Ų13959.5 Ų59.574%0.74332%0.315SS*.THydrogen-bonded Turntrans-61.8-14.8-178.817.8-72.9000116K154D120-K154 WeakPolarHBondContact OD2-CE 3.45Å; D120-K154 IonicContact OD2-NZ 2.69Å; D120-K154 PolarHBondContact OD2-NZ 3.2Å
121E97.1Very high98.4Very high114 Ų11460.2 Ų60.253%0.53331%0.311SS..THydrogen-bonded Turntrans-87.3-26.9171.9-53.6-90.4123.800112.2N119 K154N119-E121 PolarHBondContact O-N 3.23Å; N119-E121 VanDerWaalsContact O-N 3.14Å; N119-E121 WeakPolarHBondContact OD1-CB 3.33Å; N119-E121 PolarHBondContact OD1-N 2.84Å; E121-K154 HydrophobicContact CG-CD 3.34Å; E121-K154 WeakPolarHBondContact OE1-CE 3.42Å; E121-K154 IonicContact OE1-NZ 2.68Å; E121-K154 PolarHBondContact OE1-NZ 3.09Å
122N97.6Very high98.4Very high44 Ų4459.9 Ų59.924%0.23531%0.31CS..BIsolated β-bridgetrans-15787.5-165.9-174.2-2.2000108G118 N119 S124 A125 R149 F156G118-N122 WeakPolarHBondContact CA-O 3.35Å; N119-N122 PolarHBondContact N-O 3.17Å; N119-N122 CarbonylContact O-C 3.58Å; N119-N122 PolarHBondContact O-N 3.36Å; N119-N122 VanDerWaalsContact O-O 3.11Å; N119-N122 PolarHBondContact OD1-N 3.32Å; N122-S124 VanDerWaalsContact C-N 3.3Å; N122-S124 PolarHBondContact O-N 2.86Å; N122-S124 PolarHBondContact OD1-O 2.68Å; N122-A125 WeakPolarHBondContact OD1-CA 3.46Å; N122-R149 PolarHBondContact ND2-O 2.97Å; N122-F156 HydrophobicContact CB-CE1 4.18Å
123Y97.8Very high98.4Very high219 Ų21960.3 Ų60.386%0.85932%0.316SS*.SBendtrans-57.7-38.8-169.5175.2-101.8000113.5G118 N119G118-Y123 WeakPolarHBondContact CA-O 3.06Å; N119-Y123 WeakPolarHBondContact O-CA 3.36Å; N119-Y123 PolarHBondContact O-N 3.41Å
124S98Very high98.3Very high74 Ų7460.4 Ų60.452%0.51732%0.316SS..SBendtrans-142.2104.1172.8-171.70000108.9N122N122-S124 VanDerWaalsContact C-N 3.3Å; N122-S124 PolarHBondContact O-N 2.86Å; N122-S124 PolarHBondContact OD1-O 2.68Å
125A98.3Very high98.3Very high7 Ų765.5 Ų65.56%0.05834%0.335CS..  trans-82.2141-174.600000112A117 N122 L127 F156A117-A125 HydrophobicContact CB-CB 4.38Å; A117-A125 WeakPolarHBondContact O-CB 3.49Å; A117-A125 PolarHBondContact O-N 3.49Å; N122-A125 WeakPolarHBondContact OD1-CA 3.46Å; A125-L127 PolarHBondContact O-N 2.82Å; A125-F156 HydrophobicContact CB-CD1 4.39Å; A125-F156 HydrophobicContact CB-CE1 3.52Å; A125-F156 HydrophobicContact CB-CE2 3.96Å; A125-F156 HydrophobicContact CB-CZ 3.26Å
126E98.4Very high98.2Very high122 Ų12270.9 Ų70.957%0.5736%0.364SS*.  trans-59.3125.6174-170.4-159.7148.600111.2V147 G148E126-V147 HydrophobicContact CB-CB 4.1Å; E126-V147 HydrophobicContact CG-CB 4.01Å; E126-V147 HydrophobicContact CG-CG1 4.44Å; E126-V147 WeakPolarHBondContact O-CA 3.48Å; E126-V147 PolarHBondContact O-N 2.65Å; E126-V147 WeakPolarHBondContact OE1-CG1 3.28Å; E126-V147 WeakPolarHBondContact OE2-CG1 3.49Å; E126-G148 PolarHBondContact O-N 2.81Å
127L98.8Very high98Very high31 Ų3167.3 Ų67.316%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-123.6148.7175.4-59.4-176.9000110V115 A117 A125 A130 R145 F146V115-L127 HydrophobicContact CB-CD1 4.48Å; V115-L127 HydrophobicContact CG1-CD1 4.12Å; V115-L127 WeakPolarHBondContact O-CD1 3.17Å; A117-L127 HydrophobicContact CB-CD1 4.08Å; A117-L127 HydrophobicContact CB-CD2 3.97Å; A117-L127 HydrophobicContact CB-CG 4.36Å; A125-L127 PolarHBondContact O-N 2.82Å; L127-A130 HydrophobicContact CB-CB 3.68Å; L127-A130 HydrophobicContact CD1-CB 4.03Å; L127-R145 CarbonylContact C-O 2.97Å; L127-R145 WeakPolarHBondContact CA-O 3.37Å; L127-F146 HydrophobicContact CD2-CB 4.18Å; L127-F146 HydrophobicContact CD2-CD1 3.28Å; L127-F146 HydrophobicContact CD2-CE1 3.75Å; L127-F146 HydrophobicContact CD2-CG 3.94Å
128R98.6Very high98Very high97 Ų9769.4 Ų69.437%0.36636%0.359SS..EExtended strand (participates in β ladder)trans-109.3141.4169.2-67.2175.765.5-145.3-4.4109.8N92 A130 R145 V147N92-R128 WeakPolarHBondContact OD1-CD 3.38Å; N92-R128 PolarHBondContact OD1-NH1 3.3Å; R128-A130 VanDerWaalsContact C-N 3.26Å; R128-A130 PolarHBondContact O-N 3.46Å; R128-R145 HydrophobicContact CB-CB 4.31Å; R128-R145 PolarHBondContact N-O 3.1Å; R128-R145 PolarHBondContact O-N 2.96Å; R128-V147 HydrophobicContact CG-CG2 3.7Å
129N98.4Very high97.9Very high66 Ų6668.7 Ų68.735%0.35335%0.352SS..SBendtrans54.843.5-178.7-49.9-11000112.1S131 N142 D143N129-S131 PolarHBondContact O-N 2.88Å; N129-N142 WeakPolarHBondContact CB-O 3.39Å; N129-N142 PolarHBondContact ND2-O 2.99Å; N129-D143 PolarHBondContact ND2-O 3.39Å
130A98.4Very high97.9Very high24 Ų2476 Ų7620%0.19838%0.377CS..  trans-81.715.6-175.400000114.3T114 V115 L127 R128 L144T114-A130 CarbonylContact C-O 3.46Å; T114-A130 VanDerWaalsContact CA-O 3.28Å; T114-A130 WeakPolarHBondContact CA-O 3.4Å; V115-A130 PolarHBondContact N-O 3.11Å; L127-A130 HydrophobicContact CB-CB 3.68Å; L127-A130 HydrophobicContact CD1-CB 4.03Å; R128-A130 VanDerWaalsContact C-N 3.26Å; R128-A130 PolarHBondContact O-N 3.46Å; A130-L144 HydrophobicContact CB-CD1 4.34Å
131S98.6Very high98Very high69 Ų6969.4 Ų69.448%0.48334%0.342SS..EExtended strand (participates in β ladder)trans-130.8147.2177.853.30000110.8V113 N129V113-S131 CarbonylContact O-C 3.58Å; V113-S131 WeakPolarHBondContact O-CA 3.32Å; N129-S131 PolarHBondContact O-N 2.88Å
132A98.6Very high98Very high9 Ų970.1 Ų70.17%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-146165.3175.200000109.9V113 A139 F141V113-A132 PolarHBondContact N-O 2.7Å; V113-A132 PolarHBondContact O-N 3.03Å; A132-A139 HydrophobicContact CB-CB 4.11Å; A132-F141 HydrophobicContact CB-CB 4.46Å; A132-F141 HydrophobicContact CB-CD1 3.74Å; A132-F141 HydrophobicContact CB-CD2 3.69Å; A132-F141 HydrophobicContact CB-CE1 3.72Å; A132-F141 HydrophobicContact CB-CE2 3.66Å; A132-F141 HydrophobicContact CB-CG 3.72Å; A132-F141 HydrophobicContact CB-CZ 3.67Å
133V98.5Very high98Very high85 Ų8570 Ų7052%0.51535%0.349SS..EExtended strand (participates in β ladder)trans-110.7133.4175179.30000108.5G110G110-V133 VanDerWaalsContact CA-CG1 3.49Å
134M98.4Very high98Very high1 Ų159.7 Ų59.71%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-65.6130.3173.8-168.566.177.100110.1A103 V107 D109 G110 T111 V113 V138 A139 V162A103-M134 HydrophobicContact CB-CE 3.97Å; A103-M134 HydrophobicContact CB-SD 4.45Å; V107-M134 HydrophobicContact CB-CE 4.27Å; V107-M134 HydrophobicContact CB-CG 4.26Å; V107-M134 HydrophobicContact CG1-CB 4.41Å; V107-M134 HydrophobicContact CG1-CE 3.98Å; V107-M134 HydrophobicContact CG1-CG 3.91Å; D109-M134 WeakPolarHBondContact CA-O 3.3Å; G110-M134 PolarHBondContact N-O 3.03Å; T111-M134 WeakPolarHBondContact O-CB 3.11Å; T111-M134 PolarHBondContact O-N 3.16Å; V113-M134 HydrophobicContact CG2-CE 3.94Å; M134-V138 VanDerWaalsContact SD-C 3.54Å; M134-V138 PolarHBondContact SD-N 2.93Å; M134-V138 VanDerWaalsContact SD-N 3.4Å; M134-A139 HydrophobicContact CE-CB 4.28Å; M134-A139 HydrophobicContact SD-CB 4.08Å; M134-A139 PolarHBondContact SD-N 3.05Å; M134-A139 VanDerWaalsContact SD-N 3.45Å; M134-V162 HydrophobicContact CE-CG1 4.41Å
135K97.9Very high98.1Very high140 Ų14058.8 Ų58.861%0.60929%0.294SS*.EExtended strand (participates in β ladder)trans-144.1129.3172.4-165.4-178.4-178.5169.60111.2D109 Q137 V138D109-K135 WeakPolarHBondContact OD1-CA 3.28Å; D109-K135 WeakPolarHBondContact OD2-CG 3.31Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 2.92Å; K135-V138 PolarHBondContact N-O 3.37Å; K135-V138 PolarHBondContact O-N 2.91Å
136N95.8Very high98.1Very high118 Ų11858.6 Ų58.663%0.63129%0.292SS*.THydrogen-bonded Turntrans49.344.2-177.1-65.1-27.4000112.9D109 V138D109-N136 PolarHBondContact OD1-N 2.78Å; D109-N136 PolarHBondContact OD2-N 2.87Å; N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 2.83Å
137Q96.2Very high98.1Very high13 Ų1354.3 Ų54.36%0.06127%0.274CS..THydrogen-bonded Turntrans66.911.1-172.9-55.7-70.7107.300116.2V102 A103 G105 V107 K135V102-Q137 WeakPolarHBondContact CA-O 3.46Å; A103-Q137 HydrophobicContact CB-CB 4.5Å; A103-Q137 PolarHBondContact N-O 2.97Å; A103-Q137 WeakPolarHBondContact O-CB 3.21Å; A103-Q137 PolarHBondContact O-NE2 3.08Å; G105-Q137 PolarHBondContact O-NE2 3.23Å; V107-Q137 PolarHBondContact O-OE1 2.91Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 2.92Å
138V97Very high98.1Very high46 Ų4653.4 Ų53.428%0.27927%0.272SS..EExtended strand (participates in β ladder)trans-128.6120.5178.7-173.60000111.9K100 V101 V102 M134 K135 N136K100-V138 HydrophobicContact CB-CG1 4.16Å; K100-V138 HydrophobicContact CG-CG1 4.49Å; V101-V138 CarbonylContact O-C 3.58Å; V101-V138 WeakPolarHBondContact O-CA 3.22Å; V102-V138 HydrophobicContact CG1-CG2 4.34Å; V102-V138 HydrophobicContact CG2-CG1 4.31Å; V102-V138 HydrophobicContact CG2-CG2 4.21Å; M134-V138 VanDerWaalsContact SD-C 3.54Å; M134-V138 PolarHBondContact SD-N 2.93Å; M134-V138 VanDerWaalsContact SD-N 3.4Å; K135-V138 PolarHBondContact N-O 3.37Å; K135-V138 PolarHBondContact O-N 2.91Å; N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 2.83Å
139A98.3Very high98.1Very high0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-94.3106.4167.300000109.4K100 V101 V113 A132 M134 F141K100-A139 CarbonylContact C-O 3.22Å; K100-A139 WeakPolarHBondContact CA-O 3.39Å; V101-A139 HydrophobicContact CB-CB 4.41Å; V101-A139 PolarHBondContact N-O 2.77Å; V101-A139 PolarHBondContact O-N 3.33Å; V113-A139 HydrophobicContact CB-CB 3.94Å; V113-A139 HydrophobicContact CG2-CB 3.56Å; A132-A139 HydrophobicContact CB-CB 4.11Å; M134-A139 HydrophobicContact CE-CB 4.28Å; M134-A139 HydrophobicContact SD-CB 4.08Å; M134-A139 PolarHBondContact SD-N 3.05Å; M134-A139 VanDerWaalsContact SD-N 3.45Å; A139-F141 HydrophobicContact CB-CE2 4.45Å
140R98.1Very high98.1Very high179 Ų17952.6 Ų52.668%0.67526%0.264SS*.EExtended strand (participates in β ladder)trans-96.3119.2179.7-177.4-177.4178.6-170.90.8110.4
141F98.6Very high98.1Very high0 Ų052.1 Ų52.10%026%0.262CS..  trans-81.5131.9179.1-67.5-104.5000110.5F99 V101 V113 V115 A132 A139 D143 L144F99-F141 HydrophobicContact CB-CB 4.44Å; F99-F141 AromaticContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CE2 4Å; F99-F141 HydrophobicContact CD1-CG 4.08Å; F99-F141 HydrophobicContact CE1-CD2 4.28Å; F99-F141 HydrophobicContact CE1-CE2 4.2Å; F99-F141 WeakPolarHBondContact O-CB 3.5Å; F99-F141 PolarHBondContact O-N 3.01Å; V101-F141 HydrophobicContact CB-CE2 4.38Å; V101-F141 HydrophobicContact CG2-CE2 3.79Å; V101-F141 HydrophobicContact CG2-CZ 4.47Å; V113-F141 HydrophobicContact CB-CZ 4.25Å; V113-F141 HydrophobicContact CG1-CE2 4.46Å; V113-F141 HydrophobicContact CG1-CZ 3.97Å; V115-F141 HydrophobicContact CB-CE1 4.49Å; V115-F141 HydrophobicContact CG2-CD1 4.46Å; V115-F141 HydrophobicContact CG2-CE1 3.68Å; V115-F141 HydrophobicContact CG2-CE2 4.32Å; V115-F141 HydrophobicContact CG2-CZ 3.61Å; A132-F141 HydrophobicContact CB-CB 4.46Å; A132-F141 HydrophobicContact CB-CD1 3.74Å; A132-F141 HydrophobicContact CB-CD2 3.69Å; A132-F141 HydrophobicContact CB-CE1 3.72Å; A132-F141 HydrophobicContact CB-CE2 3.66Å; A132-F141 HydrophobicContact CB-CG 3.72Å; A132-F141 HydrophobicContact CB-CZ 3.67Å; A139-F141 HydrophobicContact CB-CE2 4.45Å; F141-D143 PolarHBondContact O-N 2.86Å; F141-L144 HydrophobicContact CB-CB 4.02Å
142N97.8Very high97.9Very high128 Ų12860.6 Ų60.668%0.68428%0.283SS*.SBendtrans-85.9100.2-180-171-85.7000109.7N129 L144N129-N142 WeakPolarHBondContact CB-O 3.39Å; N129-N142 PolarHBondContact ND2-O 2.99Å; N142-L144 PolarHBondContact O-N 3.4Å
143D97.7Very high97.8Very high42 Ų4263.4 Ų63.423%0.22531%0.313CS..SBendtrans52.653.4179-177.537.5000113.1T94 N129 F141 R145T94-D143 WeakPolarHBondContact CA-OD1 3.38Å; T94-D143 WeakPolarHBondContact CB-OD1 3.49Å; T94-D143 WeakPolarHBondContact CG2-OD1 3.48Å; T94-D143 PolarHBondContact OG1-OD1 2.82Å; N129-D143 PolarHBondContact ND2-O 3.39Å; F141-D143 PolarHBondContact O-N 2.86Å; D143-R145 VanDerWaalsContact CG-NE 3.31Å; D143-R145 WeakPolarHBondContact O-CG 3.36Å; D143-R145 PolarHBondContact O-N 2.86Å; D143-R145 IonicContact OD1-CZ 2.67Å; D143-R145 IonicContact OD1-NE 2.74Å; D143-R145 PolarHBondContact OD1-NE 3.27Å; D143-R145 VanDerWaalsContact OD1-NE 3.11Å; D143-R145 IonicContact OD1-NH2 2.75Å; D143-R145 IonicContact OD2-CZ 2.77Å; D143-R145 IonicContact OD2-NE 2.94Å; D143-R145 PolarHBondContact OD2-NE 3.2Å; D143-R145 IonicContact OD2-NH2 2.78Å; D143-R145 PolarHBondContact OD2-NH2 3.31Å
144L98.7Very high97.8Very high3 Ų362.7 Ų62.72%0.01630%0.303CS..  trans-55.7126.8170.6176.466.2000109.9L95 F99 A130 F141 N142 F146L95-L144 HydrophobicContact CD1-CB 4.26Å; L95-L144 HydrophobicContact CD1-CD2 4.34Å; L95-L144 HydrophobicContact CD1-CG 4.41Å; F99-L144 HydrophobicContact CB-CB 4.42Å; F99-L144 HydrophobicContact CB-CD2 3.79Å; F99-L144 HydrophobicContact CD1-CD2 3.63Å; F99-L144 HydrophobicContact CE1-CD2 4.35Å; F99-L144 HydrophobicContact CG-CD2 3.77Å; A130-L144 HydrophobicContact CB-CD1 4.34Å; F141-L144 HydrophobicContact CB-CB 4.02Å; N142-L144 PolarHBondContact O-N 3.4Å; L144-F146 HydrophobicContact CD2-CZ 4.45Å
145R98.8Very high97.8Very high55 Ų5564.4 Ų64.421%0.20832%0.315CS..EExtended strand (participates in β ladder)trans-131.4140.8175.6-43-166.4-172.1-170.32.4112.5N92 T94 L127 R128 D143N92-R145 VanDerWaalsContact O-CD 3.28Å; N92-R145 WeakPolarHBondContact O-CD 3.28Å; N92-R145 PolarHBondContact O-NH1 3.43Å; T94-R145 VanDerWaalsContact OG1-CZ 3.23Å; T94-R145 PolarHBondContact OG1-NE 2.65Å; T94-R145 PolarHBondContact OG1-NH2 3.1Å; T94-R145 VanDerWaalsContact OG1-NH2 3.17Å; L127-R145 CarbonylContact C-O 2.97Å; L127-R145 WeakPolarHBondContact CA-O 3.37Å; R128-R145 HydrophobicContact CB-CB 4.31Å; R128-R145 PolarHBondContact N-O 3.1Å; R128-R145 PolarHBondContact O-N 2.96Å; D143-R145 VanDerWaalsContact CG-NE 3.31Å; D143-R145 WeakPolarHBondContact O-CG 3.36Å; D143-R145 PolarHBondContact O-N 2.86Å; D143-R145 IonicContact OD1-CZ 2.67Å; D143-R145 IonicContact OD1-NE 2.74Å; D143-R145 PolarHBondContact OD1-NE 3.27Å; D143-R145 VanDerWaalsContact OD1-NE 3.11Å; D143-R145 IonicContact OD1-NH2 2.75Å; D143-R145 IonicContact OD2-CZ 2.77Å; D143-R145 IonicContact OD2-NE 2.94Å; D143-R145 PolarHBondContact OD2-NE 3.2Å; D143-R145 IonicContact OD2-NH2 2.78Å; D143-R145 PolarHBondContact OD2-NH2 3.31Å
146F98.8Very high97.9Very high2 Ų257.7 Ų57.71%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-89.8115.7171-59.5-92.4000109.5L85 C91 N92 L95 A117 L127 L144 F156 L158 I176 V178L85-F146 HydrophobicContact CD1-CE2 4.39Å; L85-F146 HydrophobicContact CD1-CZ 4.04Å; C91-F146 CarbonylContact C-O 3.53Å; C91-F146 WeakPolarHBondContact CA-O 3.38Å; N92-F146 PolarHBondContact N-O 2.92Å; L95-F146 HydrophobicContact CD1-CE2 4.29Å; L95-F146 HydrophobicContact CD2-CD2 4.47Å; L95-F146 HydrophobicContact CD2-CE2 4.23Å; A117-F146 HydrophobicContact CB-CD1 4.23Å; A117-F146 HydrophobicContact CB-CE1 4.01Å; L127-F146 HydrophobicContact CD2-CB 4.18Å; L127-F146 HydrophobicContact CD2-CD1 3.28Å; L127-F146 HydrophobicContact CD2-CE1 3.75Å; L127-F146 HydrophobicContact CD2-CG 3.94Å; L144-F146 HydrophobicContact CD2-CZ 4.45Å; F146-F156 HydrophobicContact CD1-CD2 4.12Å; F146-F156 HydrophobicContact CD1-CE2 4.38Å; F146-L158 HydrophobicContact CE1-CD2 3.66Å; F146-L158 HydrophobicContact CZ-CD1 4.3Å; F146-L158 HydrophobicContact CZ-CD2 4.12Å; F146-I176 HydrophobicContact CD1-CG2 4.32Å; F146-I176 HydrophobicContact CD2-CD1 3.96Å; F146-I176 HydrophobicContact CE1-CG2 3.86Å; F146-I176 HydrophobicContact CE2-CD1 3.81Å; F146-I176 HydrophobicContact CE2-CG2 4.27Å; F146-I176 HydrophobicContact CZ-CD1 4.45Å; F146-I176 HydrophobicContact CZ-CG2 3.84Å; F146-V178 HydrophobicContact CB-CB 4.37Å; F146-V178 HydrophobicContact CB-CG1 3.84Å; F146-V178 HydrophobicContact CB-CG2 3.67Å; F146-V178 HydrophobicContact CD1-CG2 4.2Å; F146-V178 HydrophobicContact CG-CG2 3.88Å
147V98.6Very high98Very high32 Ų3253.9 Ų53.919%0.19427%0.267CS..  trans-95.8-45.2176.2-175.50000110.2C91 N92 E126 R128C91-V147 WeakPolarHBondContact CB-O 3.49Å; N92-V147 HydrophobicContact CB-CG2 4.29Å; E126-V147 HydrophobicContact CB-CB 4.1Å; E126-V147 HydrophobicContact CG-CB 4.01Å; E126-V147 HydrophobicContact CG-CG1 4.44Å; E126-V147 WeakPolarHBondContact O-CA 3.48Å; E126-V147 PolarHBondContact O-N 2.65Å; E126-V147 WeakPolarHBondContact OE1-CG1 3.28Å; E126-V147 WeakPolarHBondContact OE2-CG1 3.49Å; R128-V147 HydrophobicContact CG-CG2 3.7Å
148G98.1Very high98.1Very high12 Ų1253.2 Ų53.212%0.12426%0.264CS..SBendtrans-59.6145.2172.200000112.6E126 F156 V178E126-G148 PolarHBondContact O-N 2.81Å; G148-F156 WeakPolarHBondContact O-CE2 3.38Å; G148-V178 VanDerWaalsContact O-CG1 3.29Å; G148-V178 WeakPolarHBondContact O-CG1 3.4Å
149R98.5Very high98.2Very high146 Ų14653.2 Ų53.255%0.55126%0.264SS*.  trans-93.1147.2176.7-67.7167.357.1-174-4.4110.3N122 F156 V178N122-R149 PolarHBondContact ND2-O 2.97Å; R149-F156 WeakPolarHBondContact O-CZ 3.04Å; R149-V178 WeakPolarHBondContact CA-O 3.36Å
150S98.6Very high98.2Very high0 Ų053.2 Ų53.20%026%0.264CS..  trans-95.27.5-175.166.40000114.9N119 K154 K177 V178N119-S150 PolarHBondContact ND2-O 3Å; S150-K154 WeakPolarHBondContact CB-O 3.25Å; S150-K154 WeakPolarHBondContact O-CB 3.3Å; S150-K154 PolarHBondContact OG-O 3.19Å; S150-K177 WeakPolarHBondContact OG-CA 3.46Å; S150-V178 PolarHBondContact N-O 2.91Å; S150-V178 VanDerWaalsContact N-O 3.15Å; S150-V178 PolarHBondContact OG-N 3.49Å
151G97.7Very high98.3Very high15 Ų1545.6 Ų45.616%0.15524%0.237CC..  trans90.1176.7-17500000114.7G153G151-G153 PolarHBondContact O-N 2.85Å
152R96.4Very high98.3Very high246 Ų24645.6 Ų45.693%0.92824%0.237SC*.SBendtrans-81.8113.4178.6-178.9179.8174.7119.7-1109.9K154R152-K154 PolarHBondContact O-N 2.94Å
153G96.2Very high98.3Very high68 Ų6844.2 Ų44.270%0.70123%0.225SC*.SBendtrans77.2-5.6177.500000115.1G151G151-G153 PolarHBondContact O-N 2.85Å
154K98.3Very high98.3Very high70 Ų7043.5 Ų43.530%0.30422%0.222SC..PPolyproline II helixtrans-94.7144.1177-73177.3171.6-168.30111.4D120 E121 S150 R152 K177D120-K154 WeakPolarHBondContact OD2-CE 3.45Å; D120-K154 IonicContact OD2-NZ 2.69Å; D120-K154 PolarHBondContact OD2-NZ 3.2Å; E121-K154 HydrophobicContact CG-CD 3.34Å; E121-K154 WeakPolarHBondContact OE1-CE 3.42Å; E121-K154 IonicContact OE1-NZ 2.68Å; E121-K154 PolarHBondContact OE1-NZ 3.09Å; S150-K154 WeakPolarHBondContact CB-O 3.25Å; S150-K154 WeakPolarHBondContact O-CB 3.3Å; S150-K154 PolarHBondContact OG-O 3.19Å; R152-K154 PolarHBondContact O-N 2.94Å; K154-K177 WeakPolarHBondContact O-CG 3.4Å
155S98.6Very high98Very high37 Ų3747.3 Ų47.326%0.25926%0.262SS..PPolyproline II helixtrans-102.4157.4172.6-63.80000110.9N119 R174 I176N119-S155 PolarHBondContact ND2-O 3.4Å; S155-R174 VanDerWaalsContact CB-O 3.3Å; S155-R174 WeakPolarHBondContact CB-O 3.46Å; S155-R174 PolarHBondContact OG-O 3.04Å; S155-I176 CarbonylContact C-O 3.57Å; S155-I176 WeakPolarHBondContact CA-O 3.36Å
156F98.8Very high97.9Very high0 Ų049.7 Ų49.70%029%0.285CS..EExtended strand (participates in β ladder)trans-73.9147.6162.9-68.2-51.1000111.3A117 N122 A125 F146 G148 R149 L158 R174 A175 I176 V178A117-F156 HydrophobicContact CB-CB 4.17Å; A117-F156 HydrophobicContact CB-CD1 4.47Å; A117-F156 HydrophobicContact CB-CD2 4.13Å; A117-F156 HydrophobicContact CB-CG 4.04Å; N122-F156 HydrophobicContact CB-CE1 4.18Å; A125-F156 HydrophobicContact CB-CD1 4.39Å; A125-F156 HydrophobicContact CB-CE1 3.52Å; A125-F156 HydrophobicContact CB-CE2 3.96Å; A125-F156 HydrophobicContact CB-CZ 3.26Å; F146-F156 HydrophobicContact CD1-CD2 4.12Å; F146-F156 HydrophobicContact CD1-CE2 4.38Å; G148-F156 WeakPolarHBondContact O-CE2 3.38Å; R149-F156 WeakPolarHBondContact O-CZ 3.04Å; F156-L158 HydrophobicContact CB-CD2 4.36Å; F156-R174 CarbonylContact O-C 3.55Å; F156-R174 VanDerWaalsContact O-CA 3.25Å; F156-R174 WeakPolarHBondContact O-CA 3.22Å; F156-R174 PolarHBondContact O-N 2.67Å; F156-A175 PolarHBondContact O-N 2.88Å; F156-I176 HydrophobicContact CB-CG2 4.39Å; F156-I176 PolarHBondContact N-O 2.86Å; F156-V178 HydrophobicContact CD2-CB 4.35Å; F156-V178 HydrophobicContact CD2-CG2 3.74Å; F156-V178 HydrophobicContact CE2-CB 3.87Å; F156-V178 HydrophobicContact CE2-CG2 3.7Å
157T98.8Very high97.9Very high37 Ų3753.6 Ų53.623%0.22731%0.31CS..EExtended strand (participates in β ladder)trans-92.4140.4153.1-70.60000107.8A117 G118 T171 Y172 R174A117-T157 WeakPolarHBondContact CA-O 3.31Å; G118-T157 PolarHBondContact N-O 2.95Å; G118-T157 PolarHBondContact O-N 2.82Å; T157-T171 HydrophobicContact CG2-CG2 3.3Å; T157-Y172 WeakPolarHBondContact CA-O 3.3Å; T157-R174 PolarHBondContact OG1-N 3.24Å
158L98.7Very high97.8Very high0 Ų054.8 Ų54.80%031%0.314CS..EExtended strand (participates in β ladder)trans-100.1138.8174-50.2-173.5000110.7L85 F99 V115 M116 A117 F146 F156 T171 Y172 A175 I176L85-L158 HydrophobicContact CD1-CD1 3.51Å; F99-L158 HydrophobicContact CZ-CD1 4.39Å; V115-L158 HydrophobicContact CG1-CB 4.29Å; V115-L158 HydrophobicContact CG1-CD1 4.27Å; V115-L158 HydrophobicContact CG1-CD2 4.46Å; M116-L158 CarbonylContact O-C 3.6Å; M116-L158 VanDerWaalsContact O-CA 3.28Å; M116-L158 WeakPolarHBondContact O-CA 3.18Å; A117-L158 HydrophobicContact CB-CD2 3.56Å; F146-L158 HydrophobicContact CE1-CD2 3.66Å; F146-L158 HydrophobicContact CZ-CD1 4.3Å; F146-L158 HydrophobicContact CZ-CD2 4.12Å; F156-L158 HydrophobicContact CB-CD2 4.36Å; L158-T171 CarbonylContact O-C 3.57Å; L158-T171 VanDerWaalsContact O-CA 3.31Å; L158-T171 WeakPolarHBondContact O-CA 3.32Å; L158-T171 WeakPolarHBondContact O-CG2 3.29Å; L158-Y172 HydrophobicContact CD1-CD1 4.4Å; L158-Y172 PolarHBondContact N-O 3.17Å; L158-Y172 PolarHBondContact O-N 3Å; L158-A175 HydrophobicContact CD1-CB 4.2Å; L158-A175 HydrophobicContact CG-CB 3.98Å; L158-I176 HydrophobicContact CD2-CG2 4.41Å
159T98.7Very high97.9Very high45 Ų4557.8 Ų57.828%0.27633%0.33SS..EExtended strand (participates in β ladder)trans-111.1114.6169.3-52.30000107.7V115 M116 V169V115-T159 WeakPolarHBondContact CA-O 3.17Å; M116-T159 HydrophobicContact CE-CG2 4.06Å; M116-T159 PolarHBondContact N-O 3.39Å; M116-T159 PolarHBondContact O-N 2.91Å; T159-V169 HydrophobicContact CG2-CG1 3.59Å
160I98.8Very high97.8Very high0 Ų050.9 Ų50.90%030%0.303CS..EExtended strand (participates in β ladder)trans-101.5121.4-179.4-54.4165.4000107.1T75 C82 F99 V101 V113 T114 V115 V169 A170T75-I160 HydrophobicContact CG2-CD1 4.07Å; C82-I160 HydrophobicContact CB-CD1 3.99Å; F99-I160 HydrophobicContact CZ-CD1 4.32Å; V101-I160 HydrophobicContact CG1-CG2 4.12Å; V101-I160 HydrophobicContact CG2-CD1 4.17Å; V101-I160 HydrophobicContact CG2-CG2 3.82Å; V113-I160 HydrophobicContact CG1-CG2 3.79Å; T114-I160 WeakPolarHBondContact O-CA 3.42Å; V115-I160 HydrophobicContact CG2-CG1 4.4Å; I160-V169 CarbonylContact O-C 3.06Å; I160-V169 WeakPolarHBondContact O-CA 3.28Å; I160-A170 WeakPolarHBondContact CA-O 3.46Å; I160-A170 HydrophobicContact CB-CB 4.38Å; I160-A170 VanDerWaalsContact CB-O 3.28Å; I160-A170 WeakPolarHBondContact CB-O 3.12Å; I160-A170 PolarHBondContact N-O 2.87Å; I160-A170 PolarHBondContact O-N 2.77Å
161T98.7Very high97.8Very high19 Ų1952 Ų5212%0.11731%0.31CS..EExtended strand (participates in β ladder)trans-112.7122.5179.3-55.60000109.7V113 T114 F163 V169V113-T161 CarbonylContact C-O 3.51Å; V113-T161 VanDerWaalsContact CA-O 3.29Å; V113-T161 WeakPolarHBondContact CA-O 3.5Å; T114-T161 PolarHBondContact N-O 2.94Å; T114-T161 PolarHBondContact O-N 2.63Å; T161-F163 HydrophobicContact CG2-CD2 4.08Å; T161-F163 HydrophobicContact CG2-CE1 4.22Å; T161-F163 HydrophobicContact CG2-CE2 3.61Å; T161-F163 HydrophobicContact CG2-CZ 3.7Å; T161-V169 HydrophobicContact CG2-CG2 4.45Å
162V98.6Very high97.9Very high0 Ų052.9 Ų52.90%031%0.309CS..EExtended strand (participates in β ladder)trans-106.3117176.5-179.50000107.9F80 V107 T111 V113 M134 T164 P167 Q168F80-V162 HydrophobicContact CD1-CG2 4.23Å; F80-V162 HydrophobicContact CE1-CB 4.37Å; F80-V162 HydrophobicContact CE1-CG1 4.28Å; F80-V162 HydrophobicContact CE1-CG2 3.75Å; F80-V162 HydrophobicContact CE2-CG2 4.5Å; F80-V162 HydrophobicContact CZ-CB 4.14Å; F80-V162 HydrophobicContact CZ-CG1 4.19Å; F80-V162 HydrophobicContact CZ-CG2 3.91Å; V107-V162 HydrophobicContact CG1-CG1 3.97Å; T111-V162 HydrophobicContact CG2-CG1 3.85Å; V113-V162 HydrophobicContact CG1-CG2 3.95Å; V113-V162 HydrophobicContact CG2-CG1 4.28Å; V113-V162 HydrophobicContact CG2-CG2 4.08Å; M134-V162 HydrophobicContact CE-CG1 4.41Å; V162-T164 HydrophobicContact CG1-CG2 4.26Å; V162-T164 PolarHBondContact O-N 3.03Å; V162-P167 WeakPolarHBondContact O-CA 3.38Å; V162-Q168 HydrophobicContact CB-CB 4.47Å; V162-Q168 PolarHBondContact N-O 2.83Å; V162-Q168 PolarHBondContact O-N 3.12Å
163F98.4Very high98Very high100 Ų10046.2 Ų46.244%0.43929%0.288SS..  trans-85.154.5-169.6-69.5-99.2000112.7L112 T114 T161L112-F163 HydrophobicContact CB-CB 4.23Å; L112-F163 HydrophobicContact CB-CD2 4.14Å; L112-F163 HydrophobicContact CB-CG 4.4Å; L112-F163 HydrophobicContact CD2-CD2 4.14Å; L112-F163 HydrophobicContact CD2-CE2 4.31Å; L112-F163 HydrophobicContact CG-CD2 4.12Å; L112-F163 WeakPolarHBondContact O-CD2 3.42Å; L112-F163 PolarHBondContact O-N 2.94Å; T114-F163 HydrophobicContact CG2-CE2 3.85Å; T114-F163 HydrophobicContact CG2-CZ 4.49Å; T114-F163 WeakPolarHBondContact OG1-CE2 3.32Å; T161-F163 HydrophobicContact CG2-CD2 4.08Å; T161-F163 HydrophobicContact CG2-CE1 4.22Å; T161-F163 HydrophobicContact CG2-CE2 3.61Å; T161-F163 HydrophobicContact CG2-CZ 3.7Å
164T97.3Very high98.1Very high27 Ų2752.5 Ų52.517%0.16629%0.291CS..  trans-70.8175.2163.445.30000111.2V107 T111 V162 P166 P167 Q168V107-T164 HydrophobicContact CG1-CG2 3.91Å; V107-T164 HydrophobicContact CG2-CG2 4.37Å; T111-T164 HydrophobicContact CG2-CG2 4.25Å; V162-T164 HydrophobicContact CG1-CG2 4.26Å; V162-T164 PolarHBondContact O-N 3.03Å; T164-P166 CarbonylContact C-O 3.59Å; T164-P166 WeakPolarHBondContact CB-O 3.44Å; T164-P166 CarbonylContact O-C 3.57Å; T164-P166 PolarHBondContact OG1-O 2.87Å; T164-P167 WeakPolarHBondContact O-CA 3.31Å; T164-P167 WeakPolarHBondContact O-CD 3.34Å; T164-Q168 PolarHBondContact OG1-NE2 2.86Å; T164-Q168 VanDerWaalsContact OG1-NE2 3.08Å
165G93.9Very high98.1Very high82 Ų8249.5 Ų49.585%0.84528%0.279SS*.SBendtrans-109.1107.1165.300000110.6
166P96.3Very high98.1Very high105 Ų10547.8 Ų47.868%0.68227%0.267SS*.SBendcis-71.7162.4-532.7-36.7000112.9T164T164-P166 CarbonylContact C-O 3.59Å; T164-P166 WeakPolarHBondContact CB-O 3.44Å; T164-P166 CarbonylContact O-C 3.57Å; T164-P166 PolarHBondContact OG1-O 2.87Å
167P97.8Very high98Very high84 Ų8450.6 Ų50.655%0.54528%0.279SS..  trans-64.1139.9175.5-22.734.3000111.6V162 T164V162-P167 WeakPolarHBondContact O-CA 3.38Å; T164-P167 WeakPolarHBondContact O-CA 3.31Å; T164-P167 WeakPolarHBondContact O-CD 3.34Å
168Q97.9Very high98Very high57 Ų5748.9 Ų48.927%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-106.3144.2175.8-71.317387.200110.2N79 F80 V162 T164N79-Q168 PolarHBondContact ND2-OE1 2.95Å; F80-Q168 HydrophobicContact CE2-CB 3.8Å; F80-Q168 HydrophobicContact CE2-CG 4.41Å; F80-Q168 HydrophobicContact CZ-CB 4.18Å; V162-Q168 HydrophobicContact CB-CB 4.47Å; V162-Q168 PolarHBondContact N-O 2.83Å; V162-Q168 PolarHBondContact O-N 3.12Å; T164-Q168 PolarHBondContact OG1-NE2 2.86Å; T164-Q168 VanDerWaalsContact OG1-NE2 3.08Å
169V98.3Very high98Very high76 Ų7650.3 Ų50.346%0.46128%0.277SS..EExtended strand (participates in β ladder)trans-122.5142.2178.3-179.10000109.2T159 I160 T161T159-V169 HydrophobicContact CG2-CG1 3.59Å; I160-V169 CarbonylContact O-C 3.06Å; I160-V169 WeakPolarHBondContact O-CA 3.28Å; T161-V169 HydrophobicContact CG2-CG2 4.45Å
170A98.3Very high98Very high0 Ų051.5 Ų51.50%029%0.285CS..EExtended strand (participates in β ladder)trans-139.7131.3176.900000110.2T75 D76 F80 I160T75-A170 HydrophobicContact CG2-CB 4.08Å; D76-A170 WeakPolarHBondContact OD1-CA 3.34Å; F80-A170 HydrophobicContact CB-CB 4Å; F80-A170 HydrophobicContact CD2-CB 4.13Å; F80-A170 HydrophobicContact CG-CB 4.35Å; I160-A170 WeakPolarHBondContact CA-O 3.46Å; I160-A170 HydrophobicContact CB-CB 4.38Å; I160-A170 VanDerWaalsContact CB-O 3.28Å; I160-A170 WeakPolarHBondContact CB-O 3.12Å; I160-A170 PolarHBondContact N-O 2.87Å; I160-A170 PolarHBondContact O-N 2.77Å
171T98.5Very high97.9Very high23 Ų2355 Ų5514%0.14130%0.303CS..EExtended strand (participates in β ladder)trans-107.5136.3-174.1-40.70000111T75 D76 T157 L158 H173T75-T171 WeakPolarHBondContact CA-O 3.41Å; T75-T171 WeakPolarHBondContact CB-O 3.38Å; D76-T171 VanDerWaalsContact CG-CB 3.5Å; D76-T171 VanDerWaalsContact CG-N 3.34Å; D76-T171 PolarHBondContact N-O 3.29Å; D76-T171 PolarHBondContact OD1-N 2.93Å; D76-T171 WeakPolarHBondContact OD2-CB 3.45Å; D76-T171 PolarHBondContact OD2-OG1 2.82Å; T157-T171 HydrophobicContact CG2-CG2 3.3Å; L158-T171 CarbonylContact O-C 3.57Å; L158-T171 VanDerWaalsContact O-CA 3.31Å; L158-T171 WeakPolarHBondContact O-CA 3.32Å; L158-T171 WeakPolarHBondContact O-CG2 3.29Å; T171-H173 VanDerWaalsContact CG2-CE1 3.42Å; T171-H173 WeakPolarHBondContact CG2-CE1 3.46Å
172Y98.4Very high97.8Very high34 Ų3454.3 Ų54.313%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-116.895.3169.3-175.8-169.1000109.4V73 C82 L85 T157 L158 A175V73-Y172 HydrophobicContact CG1-CD1 4.34Å; V73-Y172 HydrophobicContact CG1-CE1 3.77Å; V73-Y172 HydrophobicContact CG1-CE2 4.17Å; V73-Y172 HydrophobicContact CG2-CE2 4.49Å; C82-Y172 VanDerWaalsContact SG-CD1 3.52Å; L85-Y172 HydrophobicContact CD1-CE1 4.45Å; L85-Y172 HydrophobicContact CG-CE1 4.49Å; T157-Y172 WeakPolarHBondContact CA-O 3.3Å; L158-Y172 HydrophobicContact CD1-CD1 4.4Å; L158-Y172 PolarHBondContact N-O 3.17Å; L158-Y172 PolarHBondContact O-N 3Å; Y172-A175 HydrophobicContact CD1-CB 3.46Å; Y172-A175 VanDerWaalsContact CD1-CB 3.46Å; Y172-A175 HydrophobicContact CD2-CB 3.88Å; Y172-A175 HydrophobicContact CE1-CB 3.56Å; Y172-A175 HydrophobicContact CE2-CB 3.94Å; Y172-A175 HydrophobicContact CG-CB 3.63Å
173H98.4Very high97.7Very high107 Ų10757.9 Ų57.950%0.49532%0.323SS..EExtended strand (participates in β ladder)trans-68.8135.7-175.3-60.2-69.4000113.3T171 A175T171-H173 VanDerWaalsContact CG2-CE1 3.42Å; T171-H173 WeakPolarHBondContact CG2-CE1 3.46Å; H173-A175 PolarHBondContact O-N 2.87Å; H173-A175 VanDerWaalsContact O-N 3.1Å
174R97.9Very high97.5Very high200 Ų20060 Ų6076%0.75533%0.328SS*.EExtended strand (participates in β ladder)trans55.921.4175.5-57-179.6-69.5-117.9-1115.1S155 F156 T157 I176S155-R174 VanDerWaalsContact CB-O 3.3Å; S155-R174 WeakPolarHBondContact CB-O 3.46Å; S155-R174 PolarHBondContact OG-O 3.04Å; F156-R174 CarbonylContact O-C 3.55Å; F156-R174 VanDerWaalsContact O-CA 3.25Å; F156-R174 WeakPolarHBondContact O-CA 3.22Å; F156-R174 PolarHBondContact O-N 2.67Å; T157-R174 PolarHBondContact OG1-N 3.24Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.43Å
175A98.3Very high97.3Very high7 Ų765.9 Ų65.96%0.05835%0.354CS..EExtended strand (participates in β ladder)trans-51.4-42-170.100000115.4L85 F156 L158 Y172 H173L85-A175 HydrophobicContact CD1-CB 4.31Å; F156-A175 PolarHBondContact O-N 2.88Å; L158-A175 HydrophobicContact CD1-CB 4.2Å; L158-A175 HydrophobicContact CG-CB 3.98Å; Y172-A175 HydrophobicContact CD1-CB 3.46Å; Y172-A175 VanDerWaalsContact CD1-CB 3.46Å; Y172-A175 HydrophobicContact CD2-CB 3.88Å; Y172-A175 HydrophobicContact CE1-CB 3.56Å; Y172-A175 HydrophobicContact CE2-CB 3.94Å; Y172-A175 HydrophobicContact CG-CB 3.63Å; H173-A175 PolarHBondContact O-N 2.87Å; H173-A175 VanDerWaalsContact O-N 3.1Å
176I98.7Very high97.2Very high0 Ų068 Ų680%035%0.353CS..EExtended strand (participates in β ladder)trans-153.7131.7-168.5-177.1157.3000113L85 P86 W89 L95 F146 S155 F156 L158 R174 V178L85-I176 HydrophobicContact CB-CB 4.4Å; L85-I176 HydrophobicContact CB-CD1 4.36Å; L85-I176 HydrophobicContact CD1-CB 4.42Å; L85-I176 HydrophobicContact CD1-CG2 4.22Å; P86-I176 VanDerWaalsContact O-CG1 3.3Å; P86-I176 WeakPolarHBondContact O-CG1 3.41Å; W89-I176 HydrophobicContact CB-CD1 3.76Å; W89-I176 HydrophobicContact CB-CG1 4.29Å; L95-I176 HydrophobicContact CD2-CD1 4.24Å; F146-I176 HydrophobicContact CD1-CG2 4.32Å; F146-I176 HydrophobicContact CD2-CD1 3.96Å; F146-I176 HydrophobicContact CE1-CG2 3.86Å; F146-I176 HydrophobicContact CE2-CD1 3.81Å; F146-I176 HydrophobicContact CE2-CG2 4.27Å; F146-I176 HydrophobicContact CZ-CD1 4.45Å; F146-I176 HydrophobicContact CZ-CG2 3.84Å; S155-I176 CarbonylContact C-O 3.57Å; S155-I176 WeakPolarHBondContact CA-O 3.36Å; F156-I176 HydrophobicContact CB-CG2 4.39Å; F156-I176 PolarHBondContact N-O 2.86Å; L158-I176 HydrophobicContact CD2-CG2 4.41Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.43Å; I176-V178 HydrophobicContact CD1-CG2 4.44Å; I176-V178 HydrophobicContact CG1-CG2 3.9Å; I176-V178 HydrophobicContact CG2-CG2 4.39Å
177K98.7Very high96.8Very high59 Ų5972.9 Ų72.926%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-94.9124.7169.8175.4-176.871.7-1690110.1S87 H88 W89 S150 K154 T179S87-K177 WeakPolarHBondContact O-CB 3.46Å; S87-K177 PolarHBondContact O-N 2.93Å; H88-K177 CarbonylContact C-O 3.46Å; H88-K177 VanDerWaalsContact CA-O 3.31Å; H88-K177 WeakPolarHBondContact CA-O 3.42Å; H88-K177 VanDerWaalsContact CD2-CE 3.42Å; H88-K177 WeakPolarHBondContact CD2-CE 3.18Å; H88-K177 PolarHBondContact CD2-O 2.94Å; H88-K177 WeakPolarHBondContact ND1-CE 3.46Å; H88-K177 PolarHBondContact ND1-NZ 3.03Å; W89-K177 PolarHBondContact N-O 2.82Å; S150-K177 WeakPolarHBondContact OG-CA 3.46Å; K154-K177 WeakPolarHBondContact O-CG 3.4Å; K177-T179 HydrophobicContact CG-CG2 4.33Å
178V98.8Very high96.1Very high1 Ų180.4 Ų80.41%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-117.1121.9-172.4-175.80000111.2C91 F146 G148 R149 S150 F156 I176C91-V178 HydrophobicContact CB-CG1 3.8Å; F146-V178 HydrophobicContact CB-CB 4.37Å; F146-V178 HydrophobicContact CB-CG1 3.84Å; F146-V178 HydrophobicContact CB-CG2 3.67Å; F146-V178 HydrophobicContact CD1-CG2 4.2Å; F146-V178 HydrophobicContact CG-CG2 3.88Å; G148-V178 VanDerWaalsContact O-CG1 3.29Å; G148-V178 WeakPolarHBondContact O-CG1 3.4Å; R149-V178 WeakPolarHBondContact CA-O 3.36Å; S150-V178 PolarHBondContact N-O 2.91Å; S150-V178 VanDerWaalsContact N-O 3.15Å; S150-V178 PolarHBondContact OG-N 3.49Å; F156-V178 HydrophobicContact CD2-CB 4.35Å; F156-V178 HydrophobicContact CD2-CG2 3.74Å; F156-V178 HydrophobicContact CE2-CB 3.87Å; F156-V178 HydrophobicContact CE2-CG2 3.7Å; I176-V178 HydrophobicContact CD1-CG2 4.44Å; I176-V178 HydrophobicContact CG1-CG2 3.9Å; I176-V178 HydrophobicContact CG2-CG2 4.39Å
179T98.3Very high94.8Very high30 Ų3085.6 Ų85.618%0.18440%0.399CS..EExtended strand (participates in β ladder)trans-137.5168-177.573.20000112.9H88 W89 R90 C91 K177 D181 G182H88-T179 PolarHBondContact NE2-OG1 2.89Å; W89-T179 PolarHBondContact O-N 2.72Å; W89-T179 VanDerWaalsContact O-N 3.12Å; R90-T179 CarbonylContact C-O 3.56Å; R90-T179 WeakPolarHBondContact CA-O 3.42Å; C91-T179 PolarHBondContact N-O 3.15Å; K177-T179 HydrophobicContact CG-CG2 4.33Å; T179-D181 VanDerWaalsContact C-N 3.31Å; T179-D181 PolarHBondContact O-N 3Å; T179-G182 PolarHBondContact OG1-N 3.31Å
180V98.1Very high93.4Very high71 Ų7192.6 Ų92.643%0.4342%0.417SS..SBendtrans-61.7-36.5-178.8-179.10000113.2R90R90-V180 VanDerWaalsContact CG-O 3.3Å; R90-V180 WeakPolarHBondContact CG-O 3.42Å; R90-V180 PolarHBondContact NE-O 3.43Å
181D96.4Very high91.7Very high73 Ų7397.7 Ų97.739%0.3945%0.448SS..SBendtrans-91-36.6179.2-74.52.7000112.4R90 T179 R184R90-D181 WeakPolarHBondContact CD-O 3.38Å; R90-D181 WeakPolarHBondContact CG-O 3.37Å; T179-D181 VanDerWaalsContact C-N 3.31Å; T179-D181 PolarHBondContact O-N 3Å; D181-R184 HydrophobicContact CB-CB 4.38Å; D181-R184 IonicContact OD1-NH1 3.73Å; D181-R184 WeakPolarHBondContact OD2-CD 3.37Å; D181-R184 IonicContact OD2-CZ 2.63Å; D181-R184 IonicContact OD2-NE 3.78Å; D181-R184 IonicContact OD2-NH1 3.11Å; D181-R184 PolarHBondContact OD2-NH1 2.67Å
182G96.8Very high89.8Confident4 Ų4102.8 Ų102.84%0.04147%0.468CS..  trans72.8-156.9-162.300000112.8H88 W89 T179 R184H88-G182 VanDerWaalsContact CE1-C 3.42Å; H88-G182 PolarHBondContact CE1-O 2.89Å; H88-G182 PolarHBondContact NE2-O 2.83Å; W89-G182 VanDerWaalsContact C-CA 3.47Å; W89-G182 WeakPolarHBondContact O-CA 3.4Å; T179-G182 PolarHBondContact OG1-N 3.31Å; G182-R184 PolarHBondContact O-N 2.82Å
183P96.6Very high87.6Confident76 Ų76109.1 Ų109.149%0.49450%0.501SS..SBendtrans-55.1133.3162.4-21.333.3000109.5H88H88-P183 HydrophobicContact CB-CG 4.19Å; H88-P183 VanDerWaalsContact O-CD 3.32Å; H88-P183 WeakPolarHBondContact O-CD 3.42Å; H88-P183 WeakPolarHBondContact O-CG 3.5Å
184R95.1Very high85.4Confident143 Ų143110.8 Ų110.854%0.5451%0.509SS..  trans-150.8142.5-176.3-176.6176.8-177.7169.49109.4D181 G182D181-R184 HydrophobicContact CB-CB 4.38Å; D181-R184 IonicContact OD1-NH1 3.73Å; D181-R184 WeakPolarHBondContact OD2-CD 3.37Å; D181-R184 IonicContact OD2-CZ 2.63Å; D181-R184 IonicContact OD2-NE 3.78Å; D181-R184 IonicContact OD2-NH1 3.11Å; D181-R184 PolarHBondContact OD2-NH1 2.67Å; G182-R184 PolarHBondContact O-N 2.82Å
185E91.9Very high83.1Confident152 Ų152105.1 Ų105.171%0.7149%0.494SS*.  trans-60.6145.6179.4-62.262.1-130.700110.3R187E185-R187 PolarHBondContact O-N 3.42Å
186P92.3Very high81Confident126 Ų126109.9 Ų109.982%0.81852%0.522SS*.  trans-52.5115.4170-2635.1000110.2R188P186-R188 PolarHBondContact O-N 3.09Å
187R87.1Confident79Confident208 Ų208116.2 Ų116.279%0.78556%0.561SS**  trans-59.9111.2177.9-68.4-172.6-65.7154.70.1108E185 H189E185-R187 PolarHBondContact O-N 3.42Å; R187-H189 PolarHBondContact O-N 3.03Å; R187-H189 VanDerWaalsContact O-N 3.17Å
188R82.6Confident76.8Confident241 Ų241120.1 Ų120.191%0.90958%0.578SS**  trans-50124.5177.5-67.8-172.9179.8-145.20.1108.7P186 R190P186-R188 PolarHBondContact O-N 3.09Å; R188-R190 PolarHBondContact O-N 3.03Å
189H70.6Confident74.7Confident166 Ų166122.3 Ų122.377%0.76959%0.589SS**  trans-62.5110.2171.3-174.9-93.8000107.3R187 V191R187-H189 PolarHBondContact O-N 3.03Å; R187-H189 VanDerWaalsContact O-N 3.17Å; H189-V191 PolarHBondContact O-N 3.14Å
190R68.9Low72.9Confident224 Ų224127.3 Ų127.385%0.84561%0.61SS**  trans-67.291.2171.5177179.5167.5-177-5.4106.5R188 K192R188-R190 PolarHBondContact O-N 3.03Å; R190-K192 PolarHBondContact O-N 3.29Å
191V62.5Low70.9Confident107 Ų107131.8 Ų131.865%0.64862%0.624SS**  trans-51.1116.1162.8177.50000105.8H189 M193H189-V191 PolarHBondContact O-N 3.14Å; V191-M193 VanDerWaalsContact C-N 3.25Å; V191-M193 PolarHBondContact O-N 2.75Å
192K58.6Low69.4Low130 Ų130131.1 Ų131.157%0.56563%0.625SS**  trans-71.190.7174.3-174.3-166.4178.9-156.70105.6R190 E194 M199R190-K192 PolarHBondContact O-N 3.29Å; K192-E194 PolarHBondContact O-N 3.27Å; K192-E194 VanDerWaalsContact O-N 3.09Å; K192-M199 WeakPolarHBondContact CE-SD 3.45Å; K192-M199 PolarHBondContact NZ-SD 3.01Å
193M53.7Low67.8Low167 Ų167134.4 Ų134.482%0.82364%0.642SS**  trans-54.8118.5165.9-90.5-178.4157.800107.2V191 D195V191-M193 VanDerWaalsContact C-N 3.25Å; V191-M193 PolarHBondContact O-N 2.75Å; M193-D195 PolarHBondContact O-N 3Å
194E51.2Low66.3Low142 Ų142138 Ų13866%0.66465%0.645SS**  trans-85.171.5-173.1-170.8148.9-141.200109.5K192 T196K192-E194 PolarHBondContact O-N 3.27Å; K192-E194 VanDerWaalsContact O-N 3.09Å; E194-T196 PolarHBondContact O-N 3.37Å; E194-T196 PolarHBondContact O-OG1 2.86Å
195D50.6Low65.3Low80 Ų80136.3 Ų136.343%0.42865%0.646SS.*  trans-67.178.7161.6-88.7-6.7000108.1M193 T197 K198M193-D195 PolarHBondContact O-N 3Å; D195-T197 PolarHBondContact O-N 2.92Å; D195-K198 HydrophobicContact CB-CB 4.25Å; D195-K198 HydrophobicContact CB-CD 4.07Å; D195-K198 HydrophobicContact CB-CG 4.27Å; D195-K198 PolarHBondContact O-N 3.41Å; D195-K198 WeakPolarHBondContact OD2-CD 3.5Å; D195-K198 WeakPolarHBondContact OD2-CE 3.49Å; D195-K198 IonicContact OD2-NZ 3.16Å; D195-K198 PolarHBondContact OD2-NZ 2.74Å
196T53.8Low64.5Low108 Ų108131.3 Ų131.366%0.66363%0.628SS**G310 helixtrans-50.1-33.8-178.5-45.40000112E194 K198E194-T196 PolarHBondContact O-N 3.37Å; E194-T196 PolarHBondContact O-OG1 2.86Å; T196-K198 PolarHBondContact O-N 3.03Å
197T56.3Low63.5Low133 Ų133130 Ų13082%0.81661%0.611SS**G310 helixtrans-71.3-14.3178.520.50000115.7D195D195-T197 PolarHBondContact O-N 2.92Å
198K52.8Low63Low141 Ų141124.4 Ų124.461%0.61360%0.596SS**G310 helixtrans-103.7-10.1-177.9-68.1177.3-170.4152.90114.4D195 T196 Q200D195-K198 HydrophobicContact CB-CB 4.25Å; D195-K198 HydrophobicContact CB-CD 4.07Å; D195-K198 HydrophobicContact CB-CG 4.27Å; D195-K198 PolarHBondContact O-N 3.41Å; D195-K198 WeakPolarHBondContact OD2-CD 3.5Å; D195-K198 WeakPolarHBondContact OD2-CE 3.49Å; D195-K198 IonicContact OD2-NZ 3.16Å; D195-K198 PolarHBondContact OD2-NZ 2.74Å; T196-K198 PolarHBondContact O-N 3.03Å; K198-Q200 PolarHBondContact O-N 3.47Å
199M53.9Low62.4Low46 Ų46117.6 Ų117.623%0.22757%0.574CS.*Hα-helixtrans-64.5-40.8-174.9-67.5-92.85300112.6K192 F201 S202 D203K192-M199 WeakPolarHBondContact CE-SD 3.45Å; K192-M199 PolarHBondContact NZ-SD 3.01Å; M199-F201 VanDerWaalsContact C-N 3.29Å; M199-F201 PolarHBondContact O-N 3.04Å; M199-S202 PolarHBondContact O-N 3.36Å; M199-D203 WeakPolarHBondContact CB-OD2 3.47Å; M199-D203 PolarHBondContact O-N 2.7Å
200Q60.1Low62.6Low136 Ų136117.3 Ų117.364%0.63657%0.567SS**Hα-helixtrans-56.1-29.8-172.3-71.6-157.913.500116.5K198 R204K198-Q200 PolarHBondContact O-N 3.47Å; Q200-R204 VanDerWaalsContact O-CD 3.28Å; Q200-R204 WeakPolarHBondContact O-CD 3.22Å; Q200-R204 WeakPolarHBondContact O-CG 3.28Å; Q200-R204 PolarHBondContact O-NE 3.18Å
201F56.9Low62.4Low165 Ų165113.9 Ų113.972%0.72456%0.555SS**Hα-helixtrans-88.1-37.4176.8-119.6-81.1000112M199 L205M199-F201 VanDerWaalsContact C-N 3.29Å; M199-F201 PolarHBondContact O-N 3.04Å; F201-L205 PolarHBondContact O-N 2.69Å
202S65Low62.6Low59 Ų59114.5 Ų114.541%0.41355%0.55SS.*Hα-helixtrans-64.2-40.5176.2-174.30000111.7M199 L205 S206M199-S202 PolarHBondContact O-N 3.36Å; S202-L205 PolarHBondContact O-N 2.87Å; S202-S206 VanDerWaalsContact O-CB 3.3Å; S202-S206 WeakPolarHBondContact O-CB 3.3Å; S202-S206 PolarHBondContact O-N 3.48Å; S202-S206 PolarHBondContact O-OG 2.89Å
203D63.9Low62.9Low72 Ų72115.2 Ų115.239%0.38555%0.55SS..Hα-helixtrans-72.3-41.9-177.3-66.2-32.5000111.3M199 L205 S206 E207M199-D203 WeakPolarHBondContact CB-OD2 3.47Å; M199-D203 PolarHBondContact O-N 2.7Å; D203-L205 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 3.05Å; D203-S206 CarbonylContact O-C 3.17Å; D203-S206 WeakPolarHBondContact O-CB 3.41Å; D203-S206 PolarHBondContact O-N 3.18Å; D203-S206 VanDerWaalsContact O-N 3.13Å; D203-E207 VanDerWaalsContact O-CB 3.25Å; D203-E207 WeakPolarHBondContact O-CB 3.49Å; D203-E207 PolarHBondContact O-N 2.86Å
204R65.4Low63.2Low152 Ų152110.1 Ų110.157%0.57453%0.531SS*.Hα-helixtrans-58.5-41.4172.6-71173.1-163.6-1097.5112.3Q200 E207 I208Q200-R204 VanDerWaalsContact O-CD 3.28Å; Q200-R204 WeakPolarHBondContact O-CD 3.22Å; Q200-R204 WeakPolarHBondContact O-CG 3.28Å; Q200-R204 PolarHBondContact O-NE 3.18Å; R204-E207 PolarHBondContact O-N 3.34Å; R204-I208 PolarHBondContact O-N 3.3Å
205L72.8Confident63.3Low107 Ų107111.2 Ų111.256%0.5654%0.538SS*.Hα-helixtrans-68.4-40.7174-74.4170.5000112F201 S202 D203 E207 I208 E209F201-L205 PolarHBondContact O-N 2.69Å; S202-L205 PolarHBondContact O-N 2.87Å; D203-L205 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 3.05Å; L205-E207 PolarHBondContact O-N 2.96Å; L205-I208 PolarHBondContact O-N 2.73Å; L205-E209 WeakPolarHBondContact O-CB 3.38Å; L205-E209 PolarHBondContact O-N 3.39Å
206S75.3Confident63.7Low47 Ų47117.4 Ų117.433%0.32956%0.555SS.*Hα-helixtrans-67.4-19.4175.3-56.70000113.3S202 D203 R210S202-S206 VanDerWaalsContact O-CB 3.3Å; S202-S206 WeakPolarHBondContact O-CB 3.3Å; S202-S206 PolarHBondContact O-N 3.48Å; S202-S206 PolarHBondContact O-OG 2.89Å; D203-S206 CarbonylContact O-C 3.17Å; D203-S206 WeakPolarHBondContact O-CB 3.41Å; D203-S206 PolarHBondContact O-N 3.18Å; D203-S206 VanDerWaalsContact O-N 3.13Å; S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 2.79Å; S206-R210 PolarHBondContact O-NE 3.13Å
207E71.8Confident63.7Low99 Ų99118.5 Ų118.546%0.46356%0.556SS.*Hα-helixtrans-86.1-45.8173.9-173.8160.5-123.300110.6D203 R204 L205 E209 R210 Y211D203-E207 VanDerWaalsContact O-CB 3.25Å; D203-E207 WeakPolarHBondContact O-CB 3.49Å; D203-E207 PolarHBondContact O-N 2.86Å; R204-E207 PolarHBondContact O-N 3.34Å; L205-E207 PolarHBondContact O-N 2.96Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 3.33Å; E207-R210 CarbonylContact O-C 3.56Å; E207-R210 WeakPolarHBondContact O-CA 3.25Å; E207-R210 WeakPolarHBondContact O-CB 3.39Å; E207-R210 PolarHBondContact O-N 3.36Å; E207-Y211 HydrophobicContact CG-CD2 4.03Å; E207-Y211 HydrophobicContact CG-CE2 4.02Å; E207-Y211 WeakPolarHBondContact O-CD2 3.42Å; E207-Y211 PolarHBondContact O-N 3.03Å
208I75.3Confident63.3Low91 Ų91114.5 Ų114.547%0.46754%0.541SS..Hα-helixtrans-53.6-44.2167.9-102.163.6000111.2R204 L205 R210 Y211 Q212R204-I208 PolarHBondContact O-N 3.3Å; L205-I208 PolarHBondContact O-N 2.73Å; I208-R210 VanDerWaalsContact C-N 3.28Å; I208-R210 PolarHBondContact O-N 2.91Å; I208-Y211 PolarHBondContact O-N 3.38Å; I208-Q212 WeakPolarHBondContact O-CG 3.43Å; I208-Q212 PolarHBondContact O-N 3.33Å
209E71.7Confident62.9Low97 Ų97114.5 Ų114.545%0.45356%0.555SS.*Hα-helixtrans-67.8-24.9176.4-104.7-158.8-129.500113.3L205 E207 R213L205-E209 WeakPolarHBondContact O-CB 3.38Å; L205-E209 PolarHBondContact O-N 3.39Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 3.33Å; E209-R213 VanDerWaalsContact O-CG 3.31Å; E209-R213 WeakPolarHBondContact O-CG 3.48Å; E209-R213 PolarHBondContact O-N 2.96Å; E209-R213 PolarHBondContact O-NH1 2.72Å; E209-R213 IonicContact OE2-CZ 3.17Å; E209-R213 IonicContact OE2-NH1 2.81Å; E209-R213 PolarHBondContact OE2-NH1 3.29Å; E209-R213 IonicContact OE2-NH2 2.73Å; E209-R213 PolarHBondContact OE2-NH2 2.87Å
210R74.9Confident62.4Low161 Ų161118.5 Ų118.561%0.60858%0.582SS**Hα-helixtrans-80.4-40.7172.4-86.1-178-80174.4-3.1111.4S206 E207 I208 R213 S214S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 2.79Å; S206-R210 PolarHBondContact O-NE 3.13Å; E207-R210 CarbonylContact O-C 3.56Å; E207-R210 WeakPolarHBondContact O-CA 3.25Å; E207-R210 WeakPolarHBondContact O-CB 3.39Å; E207-R210 PolarHBondContact O-N 3.36Å; I208-R210 VanDerWaalsContact C-N 3.28Å; I208-R210 PolarHBondContact O-N 2.91Å; R210-R213 CarbonylContact O-C 3.56Å; R210-R213 PolarHBondContact O-N 3.37Å; R210-R213 VanDerWaalsContact O-N 3.15Å; R210-S214 PolarHBondContact O-N 3.39Å; R210-S214 PolarHBondContact O-OG 3.4Å
211Y64.8Low61.3Low152 Ų152119 Ų11960%0.59659%0.589SS**Hα-helixtrans-62.4-41.3172.3-89-81.1000112.3E207 I208 R213 S214 M215E207-Y211 HydrophobicContact CG-CD2 4.03Å; E207-Y211 HydrophobicContact CG-CE2 4.02Å; E207-Y211 WeakPolarHBondContact O-CD2 3.42Å; E207-Y211 PolarHBondContact O-N 3.03Å; I208-Y211 PolarHBondContact O-N 3.38Å; Y211-R213 VanDerWaalsContact C-N 3.26Å; Y211-R213 PolarHBondContact O-N 3.15Å; Y211-S214 WeakPolarHBondContact CA-OG 3.44Å; Y211-S214 PolarHBondContact O-N 3.1Å; Y211-S214 PolarHBondContact O-OG 3.39Å; Y211-S214 VanDerWaalsContact O-OG 3.05Å; Y211-M215 WeakPolarHBondContact O-CB 3.31Å; Y211-M215 WeakPolarHBondContact O-CG 3.49Å; Y211-M215 PolarHBondContact O-N 2.82Å
212Q65.2Low60.5Low119 Ų119118.7 Ų118.756%0.55660%0.595SS**Hα-helixtrans-66.9-25.4173.9-72.4-173.98.900113.4I208 R216I208-Q212 WeakPolarHBondContact O-CG 3.43Å; I208-Q212 PolarHBondContact O-N 3.33Å; Q212-R216 WeakPolarHBondContact O-CG 3.44Å
213R65.7Low59Low145 Ų145122.1 Ų122.155%0.54761%0.609SS.*Hα-helixtrans-82.5-37.8172.8-75.5-176.2-172.590.7-4112.6E209 R210 Y211 R216E209-R213 VanDerWaalsContact O-CG 3.31Å; E209-R213 WeakPolarHBondContact O-CG 3.48Å; E209-R213 PolarHBondContact O-N 2.96Å; E209-R213 PolarHBondContact O-NH1 2.72Å; E209-R213 IonicContact OE2-CZ 3.17Å; E209-R213 IonicContact OE2-NH1 2.81Å; E209-R213 PolarHBondContact OE2-NH1 3.29Å; E209-R213 IonicContact OE2-NH2 2.73Å; E209-R213 PolarHBondContact OE2-NH2 2.87Å; R210-R213 CarbonylContact O-C 3.56Å; R210-R213 PolarHBondContact O-N 3.37Å; R210-R213 VanDerWaalsContact O-N 3.15Å; Y211-R213 VanDerWaalsContact C-N 3.26Å; Y211-R213 PolarHBondContact O-N 3.15Å; R213-R216 PolarHBondContact O-N 3.35Å
214S59.4Low57.9Low61 Ų61124.2 Ų124.243%0.42763%0.626SS.*Hα-helixtrans-67.6-39176.662.80000111.8R210 Y211 R216 I217R210-S214 PolarHBondContact O-N 3.39Å; R210-S214 PolarHBondContact O-OG 3.4Å; Y211-S214 WeakPolarHBondContact CA-OG 3.44Å; Y211-S214 PolarHBondContact O-N 3.1Å; Y211-S214 PolarHBondContact O-OG 3.39Å; Y211-S214 VanDerWaalsContact O-OG 3.05Å; S214-R216 PolarHBondContact O-N 3.05Å; S214-I217 PolarHBondContact O-N 2.82Å
215M53.2Low56.3Low164 Ų164127.7 Ų127.781%0.80864%0.639SS**THydrogen-bonded Turntrans-64.7-3.3173.1-68-69.3-72.900114.4Y211Y211-M215 WeakPolarHBondContact O-CB 3.31Å; Y211-M215 WeakPolarHBondContact O-CG 3.49Å; Y211-M215 PolarHBondContact O-N 2.82Å
216R58.8Low54.7Low211 Ų211128.5 Ų128.580%0.79665%0.651SS**THydrogen-bonded Turntrans-102.2-0.6171.3-68.8-179.9-177.2-176.42.3113.7Q212 R213 S214Q212-R216 WeakPolarHBondContact O-CG 3.44Å; R213-R216 PolarHBondContact O-N 3.35Å; S214-R216 PolarHBondContact O-N 3.05Å
217I53.9Low52.8Low131 Ų131134.7 Ų134.767%0.67268%0.677SS**SBendtrans-103.5110.1173.5-59.7178.5000107.4S214S214-I217 PolarHBondContact O-N 2.82Å
218G48.5Very low50.8Low49 Ų49138.4 Ų138.451%0.50569%0.694SS.*  trans-61.9160.617300000112V220G218-V220 PolarHBondContact O-N 3.38Å
219P44Very low48.9Very low141 Ų141140.8 Ų140.892%0.91671%0.713SS**  trans-65.9106.7-170.126.5-35.1000112.3
220V43.9Very low46.9Very low129 Ų129143.9 Ų143.978%0.78273%0.727SS**  trans-105.898.4172.1-179.70000109.8G218G218-V220 PolarHBondContact O-N 3.38Å
221N37.7Very low45Very low147 Ų147144.7 Ų144.779%0.78674%0.743SS**  trans36.2109.5154.2-159.717.6000118.9N223N221-N223 PolarHBondContact O-N 3.21Å
222N40.3Very low43.4Very low159 Ų159142.8 Ų142.885%0.8575%0.751SS**  trans-63.9123.4172.9-72.2-20.3000112.2
223N32.6Very low41.7Very low131 Ų131142.9 Ų142.970%0.70176%0.76SS**  trans-15199.4158.2-165.6-6.4000111.8N221 R225N221-N223 PolarHBondContact O-N 3.21Å; N223-R225 PolarHBondContact O-N 3Å
224P40.8Very low40Very low116 Ų116142.8 Ų142.875%0.75378%0.776SS**  trans-80113.7-179.331.3-32.3000111.7
225R32.4Very low38.7Very low225 Ų225148.9 Ų148.985%0.84980%0.798SS**PPolyproline II helixtrans-93.8119.7162.8-68.6-172.8-178.3-172.51.1109.6N223N223-R225 PolarHBondContact O-N 3Å
226P38.9Very low37.6Very low124 Ų124144.4 Ų144.481%0.80579%0.794SS**PPolyproline II helixtrans-72.7129.5173.429.2-32.7000110.6
227M34.4Very low36.1Very low177 Ų177142.7 Ų142.787%0.87280%0.799SS**PPolyproline II helixtrans-89.1121.1164.4-84.1-101.958.600108.7
228Q31.1Very low35Very low176 Ų176148 Ų14882%0.82281%0.811SS**  trans-93.1105.4-175.4-168.1177.321.600110.4
229T34.9Very low35Very low141 Ų141150.7 Ų150.787%0.86582%0.82SS**  trans-95.1132.1167.1420000109.9
230H30.6Very low34.3Very low163 Ų163152.4 Ų152.476%0.75582%0.815SS**  trans-111.9132.1175.955.1-94.4000109.7
231L33.9Very low33.5Very low178 Ų178154 Ų15493%0.93281%0.814SS**  trans-155.7138.2160.9-143.572000108.6
232S30.6Very low33.3Very low111 Ų111155.4 Ų155.478%0.77682%0.818SS**  trans-112.2127.6-160.4-57.70000113.9
233T29.9Very low32.8Very low122 Ų122154.9 Ų154.975%0.74882%0.816SS**  trans9.9131147.9-48.40000120.1
234T30.8Very low32.8Very low143 Ų143154.2 Ų154.288%0.87782%0.817SS**  trans-146.5167.8134.10.80000109.9
235Q31.2Very low32.9Very low189 Ų189154 Ų15488%0.88382%0.815SS**  trans-115.6161.2-157.7-57.6164.7-69.800113.5
236G29.8Very low32.8Very low70 Ų70149 Ų14972%0.72281%0.81SS**  trans176.289.5168.300000117.9
237L27.3Very low32.5Very low175 Ų175150.9 Ų150.992%0.91681%0.812SS**  trans47.9138.7141-64.8156.1000123
238W31.4Very low32.3Very low241 Ų241152.7 Ų152.791%0.91382%0.815SS**  trans-110.9176.9167.2-75.2106.9000108.9
239P48.5Very low32.3Very low107 Ų107150.3 Ų150.370%0.69581%0.813SS**  cis-142.5-164.12043.1-21.3000117
240E29.7Very low32Very low176 Ų176149.7 Ų149.782%0.82281%0.813SS**  trans69.5151.7176.2-59.4-164.488.500115.9
241Q27.8Very low32.1Very low162 Ų162150.5 Ų150.576%0.75781%0.814SS**  cis-134.41509.8-175.3-179-28.200110.7
242M31.6Very low32Very low177 Ų177148.5 Ų148.587%0.87281%0.809SS**  trans-85.9147.5170.2-85.3-170.217000111.9
243D30.5Very low31.9Very low148 Ų148150.2 Ų150.279%0.79181%0.805SS**  trans-154.1158.6141.1-117.9-40.1000112
244T33.5Very low32.1Very low118 Ų118152.7 Ų152.772%0.72481%0.808SS**  trans-135.3165.9176660000110.3
245P41.7Very low32.1Very low112 Ų112152.1 Ų152.173%0.72780%0.799SS**  -148.3140.7115.335.1-18.6000117.3
246T29.7Very low32.4Very low119 Ų119150 Ų15073%0.7379%0.793SS**  trans48.7100.2140650000121.3
247L34.2Very low32.5Very low163 Ų163157.6 Ų157.685%0.85380%0.8SS**  26.6131.6114.3-61.8171.9000119.8
248K30.1Very low32.5Very low216 Ų216153.4 Ų153.494%0.93979%0.785SS**  -146.3140.1125.4-112.4165.9-171.81740110.8
249T31.7Very low32.4Very low125 Ų125153.5 Ų153.577%0.76779%0.786SS**  trans-115.9147.7-179.6175.30000109.7
250C27.5Very low32.2Very low129 Ų129154.1 Ų154.187%0.87279%0.79SS**  trans-156144.1150.7-109.70000109.4
251K33.7Very low32.3Very low180 Ų180149.4 Ų149.478%0.78379%0.789SS**  trans-138128.1-179.7-176.2-162.7179.3-148.70106.7
252V30Very low32.6Very low136 Ų136147.6 Ų147.682%0.82479%0.789SS**  trans-141.7147.1178-179.30000109
253E29.3Very low32.9Very low146 Ų146144.2 Ų144.268%0.68278%0.778SS**  trans-88.7148.1-173.5-96.112986.200114.7
254E33.7Very low33.1Very low175 Ų175142.8 Ų142.882%0.81877%0.77SS**  51.4150120.8-147.9136.9-13200123.6
255D31.1Very low33.2Very low130 Ų130145.9 Ų145.970%0.69578%0.781SS**  trans79.1106.5156.2-101.24.7000124.8
256L37.5Very low33Very low144 Ų144148.3 Ų148.375%0.75478%0.781SS**  36120126.8-62173.6000121.4
257R32.3Very low33.7Very low231 Ų231147.9 Ų147.987%0.87278%0.78SS**  179.2135.4101-95.8178.2-166.2-1433.7116.7
258S27Very low33.7Very low86 Ų86147.2 Ų147.260%0.60177%0.773SS**  trans49.6117.9135.1-51.80000125
259W28.7Very low34Very low244 Ų244147.1 Ų147.192%0.92477%0.766SS**  trans75.1163130.1-68.9-8.8000121.1
260P45.7Very low34.1Very low120 Ų120146.8 Ų146.878%0.77977%0.77SS**  cis-131.3153.4-17.528.5-8.4000116.8
261G32.1Very low34.4Very low77 Ų77146 Ų14679%0.79476%0.761SS**  trans46.3136.1137.400000124.7
262T32.6Very low34.6Very low124 Ų124146.8 Ų146.876%0.76177%0.765SS**  -160.7142.1111.5-170.40000112.6
263T38.7Very low34.9Very low105 Ų105146.2 Ų146.264%0.64476%0.764SS**  trans36.5110.9155.251.20000119.6
264D33.8Very low35.2Very low119 Ų119144.1 Ų144.164%0.63677%0.765SS**  87.7100.354.5-73.1-52.4000115.3F266D264-F266 WeakPolarHBondContact OD1-CE2 3.2Å
265L36.3Very low35.5Very low182 Ų182144.1 Ų144.195%0.95377%0.77SS**  trans-144.4119.4138.5-78.6-174000109.2
266F37.5Very low35.7Very low163 Ų163142.8 Ų142.872%0.71577%0.77SS**  trans-87.7177.4179.1-86.3-97.2000112D264D264-F266 WeakPolarHBondContact OD1-CE2 3.2Å
267P45.2Very low35.8Very low111 Ų111141.8 Ų141.872%0.72177%0.773SS**  cis-132.3164.6-6.520.54.1000117
268Q33.7Very low35.9Very low149 Ų149139.1 Ų139.170%0.69678%0.775SS**  trans21.1114.2145.4-65.5-67.2-25.100121.7
269R35.9Very low36.3Very low213 Ų213141.3 Ų141.380%0.80479%0.785SS**  30.3107.9110-167.1-168.7-134.7-98.16.1117.3
270S33.8Very low36.6Very low119 Ų119136.2 Ų136.283%0.83278%0.776SS**  trans-106.3147.5157.555.80000111.4
271T33.7Very low36.6Very low113 Ų113135 Ų13569%0.69377%0.768SS**  trans-81.4147.3-176.3-580000111.4P273T271-P273 WeakPolarHBondContact O-CD 3.37Å
272F38.9Very low36.8Very low196 Ų196141 Ų14186%0.8677%0.767SS**  trans-53.4126170.8-71.8-87.4000111.7S274F272-S274 PolarHBondContact O-N 2.96Å
273P35.6Very low36.8Very low124 Ų124144.8 Ų144.881%0.80577%0.773SS**  trans-69.8115.3163.9-1530.5000109.3T271T271-P273 WeakPolarHBondContact O-CD 3.37Å
274S36.4Very low36.6Very low101 Ų101145.2 Ų145.271%0.70678%0.78SS**  trans-67.6130.8168.9520000110.2F272 S276F272-S274 PolarHBondContact O-N 2.96Å; S274-S276 PolarHBondContact O-N 3.01Å; S274-S276 VanDerWaalsContact O-N 3.1Å
275L38.7Very low36.8Very low175 Ų175146.2 Ų146.292%0.91679%0.786SS**  trans-70.7103.1170.4-66175.8000109.8
276S34.8Very low37.3Very low102 Ų102142.5 Ų142.571%0.71377%0.772SS**PPolyproline II helixtrans-72.7140.9166-66.30000110.3S274S274-S276 PolarHBondContact O-N 3.01Å; S274-S276 VanDerWaalsContact O-N 3.1Å
277P39.7Very low37.5Very low124 Ų124144.9 Ų144.981%0.80578%0.777SS**PPolyproline II helixtrans-74.8140.1-176.530.4-34.8000111.8
278L35.8Very low37.3Very low175 Ų175148 Ų14892%0.91678%0.784SS**PPolyproline II helixtrans-82.3147.1162.3-83.3169.6000110.3
279T35.3Very low37.5Very low131 Ų131148.8 Ų148.880%0.80479%0.787SS**PPolyproline II helixtrans-79.5151-168.2490000114.2
280D35Very low37.6Very low137 Ų137149.2 Ų149.273%0.73379%0.79SS**  trans-27154.3157.4-133-46.6000115.4R282D280-R282 PolarHBondContact OD1-N 3.02Å
281P45.5Very low38.2Very low96 Ų96149.4 Ų149.462%0.62379%0.789SS**  -150.512293.836.8-18.3000118.3
282R36.1Very low38.1Very low202 Ų202147.8 Ų147.876%0.76279%0.794SS**  trans75.9109.3144.8-54164.3-66.5-172-4.6117.4D280D280-R282 PolarHBondContact OD1-N 3.02Å
283F33.6Very low38.1Very low204 Ų204142 Ų14290%0.89578%0.783SS**  -162.1155.189.5-120-89.7000111.5
284S33.3Very low38.2Very low114 Ų114145.7 Ų145.780%0.79779%0.786SS**  trans-85.6137.8-169.2-48.70000114.2
285D38.1Very low38.4Very low140 Ų140146.4 Ų146.475%0.74979%0.789SS**  trans-91.7116166.8173.127000111.3R287D285-R287 PolarHBondContact O-N 3.01Å
286P47.8Very low38.3Very low103 Ų103149.4 Ų149.467%0.66979%0.79SS**  trans-87.6101.2173.633.9-30.1000111.4M288P286-M288 PolarHBondContact O-N 3.37Å
287R39.8Very low38.1Very low214 Ų214150.4 Ų150.481%0.80880%0.796SS**  trans-48.8108.7175.1-61.6163.877.1125.8-1.6111.8D285 H289D285-R287 PolarHBondContact O-N 3.01Å; R287-H289 PolarHBondContact O-N 3.23Å
288M41.6Very low38.2Very low177 Ų177149.4 Ų149.487%0.87280%0.799SS**  trans-69113.9176.8-75.3-64.9-6900111.5P286P286-M288 PolarHBondContact O-N 3.37Å
289H38.2Very low38Very low165 Ų165148.7 Ų148.776%0.76480%0.796SS**  trans-81.3134.7167.7-84.4-110.8000110.7R287R287-H289 PolarHBondContact O-N 3.23Å
290Y39.1Very low38.1Very low221 Ų221148.3 Ų148.387%0.86779%0.794SS**  trans-66.6144161.4-86.2-91.1000110
291P44.7Very low38.2Very low124 Ų124147 Ų14781%0.80580%0.795SS**  -146.2171.9103.740.2-27.1000114.8
292G32.8Very low37.8Very low79 Ų79147.7 Ų147.781%0.81480%0.802SS**  trans103.7143.8154.200000116.5
293A38.2Very low37.9Very low74 Ų74144.6 Ų144.661%0.61281%0.806SS**  trans-144.6161.1174.400000110.1
294F38Very low37.9Very low202 Ų202138.2 Ų138.289%0.88680%0.798SS**  trans68.9160.5176-44.1-72000116.3
295P40.3Very low38Very low116 Ų116140.5 Ų140.575%0.75380%0.799SS**  cis-124.8176.5-25.827.5-7.6000113
296Y37.3Very low37.9Very low238 Ų238139.7 Ų139.793%0.93381%0.805SS**  trans-75.9140.3163.9-77.9-92.2000111.3
297S30.4Very low37.2Very low122 Ų122138.2 Ų138.285%0.85381%0.808SS**  trans-140.1137.2159.7-84.90000109.5
298A41.1Very low37.1Very low104 Ų104136.4 Ų136.486%0.8681%0.813SS**  trans-107.3152.5174.400000110.5
299N32Very low36.8Very low159 Ų159132.7 Ų132.785%0.8581%0.805SS**  trans-154.3164160.2-151.8-2.1000112.5
300T36.8Very low36.7Very low124 Ų124132.9 Ų132.976%0.76181%0.808SS**  trans-141.7136.5-167.552.50000113.1
301S38.7Very low36.6Very low109 Ų109126.7 Ų126.776%0.76280%0.797SS**  trans-171.2116.6162.2400000109.4
302S35.5Very low35.9Very low110 Ų110126.8 Ų126.877%0.76980%0.796SS**  88141.190.179.50000113.2
303T38.7Very low36Very low138 Ų138128 Ų12885%0.84779%0.792SS**  cis-159.2146.418.3-37.50000113
304G33.5Very low35.9Very low70 Ų70129 Ų12972%0.72279%0.794SS**  trans94.9149.7152.400000118.6
305I35.1Very low35.9Very low161 Ų161131 Ų13183%0.82680%0.796SS**  cis-150.9143.8-9.6-40.2174.7000109.5
306S36.4Very low35.6Very low124 Ų124135.6 Ų135.687%0.86780%0.8SS**  trans65.6133.1165.8-64.80000119.1
307G33.6Very low35.6Very low71 Ų71133.1 Ų133.173%0.73280%0.796SS**  cis-177.6-174.5-2.700000114.1
308L38Very low35.9Very low176 Ų176132.8 Ų132.892%0.92179%0.789SS**  trans77.577176.8-53-175.5000119.3
309S34.2Very low36.3Very low100 Ų100138.5 Ų138.570%0.69979%0.79SS**  60.5108.5116.6-175.30000122.7
310M37Very low37Very low168 Ų168138.7 Ų138.783%0.82879%0.79SS**  54.9141.2127.1-52.2-51.3164.800121
311S35.6Very low37.9Very low91 Ų91137.9 Ų137.964%0.63679%0.787SS**  cis-162.9158.910.4-125.80000115.4
312T31.1Very low38.6Very low127 Ų127138.1 Ų138.178%0.77979%0.786SS**  trans58101.8149.154.40000123.8
313S35.5Very low39.1Very low104 Ų104138.8 Ų138.873%0.72779%0.788SS**  80.2109108.8-149.50000123.8
314S34.8Very low39.1Very low96 Ų96143.4 Ų143.467%0.67179%0.791SS**  60.7107125.3-45.70000122.7
315R37.6Very low39.2Very low244 Ų244146 Ų14692%0.92180%0.798SS**  -174.6168.599.5-101.7176.4-73.4-162.71.8112.9
316Y35.6Very low39.2Very low211 Ų211144.5 Ų144.583%0.82779%0.792SS**  trans-58.9150.1176.2-57.6-96.5000113
317H36.5Very low39Very low187 Ų187146.1 Ų146.187%0.86679%0.791SS**  -177167115.1-97.3-61.8000114.7
318T37Very low39.1Very low114 Ų114150.6 Ų150.670%0.69979%0.793SS**  trans-64.3157.1-175.8-49.50000114.9
319Y48.5Very low39Very low225 Ų225147.1 Ų147.188%0.88278%0.783SS**  trans-31.9131.6169.8-67.9-93.7000116.7
320L47.9Very low38.8Very low162 Ų162150 Ų15085%0.84879%0.786SS**  trans-153.6142.5152.4-97.4129.6000109.7
321P54.8Low38.6Very low108 Ų108147 Ų14770%0.70177%0.773SS**PPolyproline II helixtrans-77.3157.6170.432.9-34.7000111.8
322P53.3Low38.4Very low113 Ų113150 Ų15073%0.73478%0.775SS**PPolyproline II helixtrans-71.5150.3-179.830.2-35.5000112.7
323P47.2Very low38.4Very low125 Ų125152 Ų15281%0.81278%0.775SS**PPolyproline II helixtrans-77.8146.9177.832.5-35000112.2
324Y39Very low38.1Very low234 Ų234151.5 Ų151.592%0.91877%0.772SS**PPolyproline II helixtrans-75.7131.7166.9-74.5-87.1000110.5
325S35Very low37.8Very low124 Ų124154 Ų15487%0.86778%0.778SS**PPolyproline II helixtrans-75.2128.9171.6-170.10000110.3
326N34Very low37.8Very low131 Ų131147.1 Ų147.170%0.70177%0.767SS**  trans-107.9135174.7-179.316.6000109
327N33.2Very low37.6Very low157 Ų157147.8 Ų147.884%0.8477%0.77SS**  trans-129.1118.7174.6-139.6-8.2000109.3
328Q35.3Very low37.9Very low166 Ų166146.8 Ų146.878%0.77677%0.77SS**  trans-82.4167.3-179.8-48.6176.8-1600109.3
329S35.7Very low37.5Very low103 Ų103152.4 Ų152.472%0.7278%0.78SS**  cis-152.6172.93.864.40000107.5
330Q31Very low36.8Very low160 Ų160152.6 Ų152.675%0.74878%0.781SS**  cis-138.4-170.36.5-43.2173.67.400107.4
331N32.1Very low35.9Very low105 Ų105148.4 Ų148.456%0.56178%0.777SS**  cis-157.5-171.4-12.5-129.5-28.5000105.5
332F30.4Very low35.2Very low155 Ų155150.6 Ų150.668%0.6879%0.788SS**  cis-151.2165.43.3-125.9-37.4000110S334F332-S334 PolarHBondContact O-N 3.46Å
333Q31.5Very low34.3Very low168 Ų168148.6 Ų148.679%0.78579%0.789SS**  trans16.688.7155.6-74.2169.5-11.900120.1
334S30.3Very low33.8Very low93 Ų93149 Ų14965%0.6579%0.794SS**  12.8131.8116.9-174.70000118.8F332F332-S334 PolarHBondContact O-N 3.46Å
335N28.6Very low33.5Very low149 Ų149141 Ų14180%0.79778%0.784SS**  -165155.5106.5-92.7-13.8000113.1
336S36.3Very low33.6Very low100 Ų100140 Ų14070%0.69978%0.777SS**  trans-142.4144-17655.40000111.3
337Y31.2Very low33.6Very low225 Ų225143.1 Ų143.188%0.88278%0.78SS**  trans-145.5135.4167.5-81.3-72.1000111.3
338L43.3Very low33.5Very low166 Ų166144.7 Ų144.787%0.86978%0.782SS**  trans-100.4144.8163.4-79.8164.9000108.4
339Y28.7Very low33.3Very low231 Ų231145.1 Ų145.191%0.90678%0.782SS**  trans-150147.1161.9-133.4-96.3000112.1
340Y33.5Very low33.1Very low229 Ų229146.2 Ų146.290%0.89879%0.789SS**  trans-84.1153172.5-95.6-108.5000110.6
341G29.1Very low33.6Very low75 Ų75147.4 Ų147.477%0.77380%0.797SS**  trans-170.8144.1171.200000113.8
342T39.8Very low33.8Very low153 Ų153149.1 Ų149.194%0.93981%0.811SS**  trans-131.3142.5-175.550.30000112.5
343G34.3Very low34.1Very low72 Ų72146 Ų14674%0.74281%0.813SS**  trans158.1134.617500000109.7
344S38.2Very low34.7Very low133 Ų133144.4 Ų144.493%0.9382%0.818SS**  cis97.4126.527.9-165.50000113.5
345G32.8Very low34.8Very low67 Ų67143.7 Ų143.769%0.69183%0.825SS**  trans87.5128.2-174.400000113.4
346S36.3Very low35.1Very low103 Ų103144.3 Ų144.372%0.7283%0.828SS**  cis103.7122.46.393.40000117.5
347Y33.6Very low35.1Very low195 Ų195146.1 Ų146.177%0.76584%0.835SS**  trans64.8159.5176.6-65-89.4000115.4F349Y347-F349 HydrophobicContact CD1-CD2 4.06Å; Y347-F349 AromaticContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CE1-CD2 4.32Å; Y347-F349 AromaticContact CE1-CE2 3.74Å; Y347-F349 HydrophobicContact CE1-CE2 3.74Å
348Q31.9Very low35.1Very low190 Ų190139.5 Ų139.589%0.88884%0.836SS**  cis-124.2171.916.1-62.4179.4-76.100115
349F30.6Very low34.8Very low176 Ų176135.5 Ų135.577%0.77283%0.834SS**  trans-101.2150.8170.4-58.9-105.7000110.1Y347Y347-F349 HydrophobicContact CD1-CD2 4.06Å; Y347-F349 AromaticContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CE1-CD2 4.32Å; Y347-F349 AromaticContact CE1-CE2 3.74Å; Y347-F349 HydrophobicContact CE1-CE2 3.74Å
350S32.3Very low35.1Very low125 Ų125131.8 Ų131.887%0.87483%0.825SS**  trans-122128.6164.4-77.10000110.4
351M40.1Very low35.2Very low185 Ų185131.4 Ų131.491%0.91182%0.822SS**  trans-101.7133.6171.8-64.2-165.7-62.800110.3
352V37Very low35.7Very low142 Ų142133 Ų13386%0.86182%0.821SS**  trans-136.6131.7162.9178.50000107.9
353A36.8Very low35.9Very low88 Ų88132 Ų13273%0.72782%0.818SS**  trans-86.2158.9-179.900000111.5
354P43Very low35.9Very low136 Ų136134.5 Ų134.588%0.88382%0.819SS**  trans-82.1145.1-164.331.9-35.9000114.5
355G32.6Very low36Very low77 Ų77139.6 Ų139.679%0.79482%0.817SS**  trans-107.8142.6164.200000111.3
356N36.1Very low36.2Very low163 Ų163144.1 Ų144.187%0.87283%0.825SS**  trans-62.3133.2-178.8-118.25.1000112.9
357T35.2Very low36.5Very low137 Ų137147 Ų14784%0.8483%0.831SS**  165127116.143.90000112.1
358G32.7Very low36.2Very low87 Ų87143.6 Ų143.690%0.89784%0.837SS**  trans79.3141.9161.200000117
359G37.2Very low36.1Very low81 Ų81139.7 Ų139.784%0.83583%0.829SS**  cis-179.7-10.2-2.800000119.5
360E34.3Very low36.3Very low154 Ų154137.3 Ų137.372%0.7283%0.834SS**  trans-155.8152.7-178.259.7-176.2116.200118
361R35.5Very low36.1Very low220 Ų220135.4 Ų135.483%0.8383%0.834SS**  trans63.3105.7160.9-63.8162.9-161.2-92.3-1.9119.1
362S38.5Very low35.8Very low108 Ų108131.3 Ų131.376%0.75583%0.829SS**  trans-105.5167.5145.1-52.70000109.4
363P45.8Very low35.5Very low133 Ų133131.7 Ų131.786%0.86483%0.833SS**  -134.5152.288.437.9-27.8000114.9
364T34.5Very low35.3Very low125 Ų125130.9 Ų130.977%0.76783%0.832SS**  trans-82.8142.2-172-32.20000112.5
365R38.4Very low34.9Very low239 Ų239131.8 Ų131.890%0.90284%0.836SS**  trans-95.9127.7149-76.8-176.7177.8-117.11.9108.4
366L37.9Very low34.8Very low163 Ų163132 Ų13285%0.85384%0.838SS**  trans-166.2153.1142.8-110.4171.6000111
367L41.3Very low34.6Very low162 Ų162128.2 Ų128.285%0.84884%0.837SS**  trans-82.1157.8163.4-79.363.9000108.4
368S28.4Very low34.7Very low125 Ų125127.5 Ų127.587%0.87483%0.833SS**  trans-140.1159156-159.10000109.7
369C30.3Very low34.6Very low107 Ų107130.1 Ų130.172%0.72383%0.827SS**  trans-137158.9-172.458.90000112
370S34.3Very low34.8Very low127 Ų127131.2 Ų131.289%0.88882%0.821SS**  trans69.9132.6166.3-51.10000117.2
371G28.9Very low34.9Very low85 Ų85132.6 Ų132.688%0.87683%0.832SS**  trans150.4115.917300000111.1
372A33.3Very low35Very low98 Ų98130.9 Ų130.981%0.8184%0.836SS**  trans-119.1129.6-175.100000112.2
373T30.9Very low34.7Very low151 Ų151133.6 Ų133.693%0.92684%0.842SS**  trans-167153.8158.325.80000105.8
374G31.8Very low34.8Very low70 Ų70132.8 Ų132.872%0.72284%0.837SS**  cis132.392.91500000107.5
375T34.4Very low34.7Very low155 Ų155130.3 Ų130.395%0.95184%0.836SS**  trans-93.8124.7-165.929.50000113.7
376G31.5Very low34.6Very low81 Ų81127.9 Ų127.984%0.83584%0.84SS**  trans170.4150.7168.900000111.4
377G31.2Very low34.3Very low84 Ų84126.8 Ų126.887%0.86684%0.835SS**  trans121.194.3174.300000114.5
378T36.6Very low33.9Very low122 Ų122124.8 Ų124.875%0.74883%0.83SS**  trans-72.7151.3174.647.80000114
379N32Very low34.1Very low143 Ų143126.9 Ų126.977%0.76583%0.826SS**  trans151.5124.3134.4-73.8-20.4000109.9
380S40.1Very low34.3Very low103 Ų103126.5 Ų126.572%0.7283%0.825SS**  cis85.895.444.4-61.40000114
381L37.2Very low34.1Very low183 Ų183130 Ų13096%0.95883%0.827SS**  trans-141.1152158.3-78179.7000109.5
382M37.2Very low34.3Very low184 Ų184129.2 Ų129.291%0.90682%0.819SS**  trans-112.9161.8-169.6-65.4-172.2177.700113.7
383N32.8Very low34.6Very low165 Ų165131.5 Ų131.588%0.88282%0.822SS**  trans-158.3163.6134.9-110.8-2.8000111.5
384P47.7Very low34.9Very low116 Ų116133.4 Ų133.475%0.75382%0.821SS**  trans-131175.5-150.943.4-29000116.9
385G31.6Very low35.3Very low73 Ų73135 Ų13575%0.75383%0.827SS**  trans89.3151.1166.500000114.7
386L37.8Very low35.3Very low189 Ų189135 Ų13599%0.9982%0.821SS**  cis-134.9-176.86-84.2168.1000111.8
387N31Very low35.4Very low140 Ų140134.7 Ų134.775%0.74982%0.818SS**  trans-134.1127.4-163.2165.159.1000114.4
388T34Very low35.7Very low120 Ų120134.7 Ų134.774%0.73681%0.805SS**  trans-160.3126.7161.539.70000107.2
389Q32.4Very low35.7Very low168 Ų168137.6 Ų137.679%0.78581%0.809SS**  56.8132.679.9-66.5-177.2-800114
390S33.5Very low36Very low100 Ų100136.1 Ų136.170%0.69981%0.81SS**  cis-171.2145.6-3.147.90000113.2
391E30.9Very low35.7Very low200 Ų200139.1 Ų139.194%0.93582%0.818SS**  trans63.1134.9141.4-155.4167.1164.900123
392G32.2Very low35.5Very low69 Ų69135.8 Ų135.871%0.71181%0.81SS**  trans88.2151.217000000116.2
393V39.4Very low35.9Very low145 Ų145133.2 Ų133.288%0.87981%0.808SS**  cis-147165.5-6.5-176.30000108.2
394E37Very low36.2Very low191 Ų191131.6 Ų131.689%0.89380%0.804SS**  trans-62.1147-177-53.8-177.8118.800116.2
395A40.1Very low35.6Very low103 Ų103130.9 Ų130.985%0.85181%0.807SS**  trans-162.6143.5141.300000113.1
396D35.1Very low35.8Very low156 Ų156135.8 Ų135.883%0.83481%0.813SS**  trans-34.5159.1173.8-150.6-17.2000119.2
397G34.6Very low35.8Very low74 Ų74132.4 Ų132.476%0.76381%0.805SS**  trans162.159.5176.600000119.6
398S35.9Very low35.9Very low84 Ų84130.5 Ų130.559%0.58781%0.809SS**  trans-51.3158.6-176.6-640000120.3
399H36.8Very low36.1Very low183 Ų183131.2 Ų131.285%0.84782%0.819SS**  trans78.2133.3162.1-41.6-57.3000117.6
400S38.6Very low36.2Very low112 Ų112127.1 Ų127.178%0.78382%0.821SS**  cis-166.6160.948.646.90000113.6
401N33.7Very low36.7Very low166 Ų166134 Ų13489%0.88883%0.832SS**  trans-85.2142.9179.2-81.1-19.5000113.1
402S33.9Very low37.3Very low113 Ų113133 Ų13379%0.7983%0.832SS**  trans-124.9115.1165.3-71.70000110.6
403P46Very low37.7Very low131 Ų131136.4 Ų136.485%0.85183%0.834SS**PPolyproline II helixtrans-81.7122.3178.131.1-32000111.5
404T38.3Very low37.6Very low131 Ų131138.6 Ų138.680%0.80484%0.835SS**PPolyproline II helixtrans-76.5130.1171.3-57.20000109.7M406T404-M406 PolarHBondContact O-N 3.41Å
405A34.5Very low38Very low100 Ų100133.5 Ų133.583%0.82682%0.82SS**PPolyproline II helixtrans-73.412317800000111.2
406M36.9Very low38Very low176 Ų176134.2 Ų134.287%0.86781%0.814SS**PPolyproline II helixtrans-103131.2171.1-79.1-67.6-73.400110.5T404T404-M406 PolarHBondContact O-N 3.41Å
407S36.2Very low38.2Very low118 Ų118136.9 Ų136.983%0.82581%0.812SS**PPolyproline II helixtrans-88.9136.3179.349.20000111.9
408A33.9Very low38.7Very low101 Ų101143.7 Ų143.784%0.83582%0.815SS**  trans-147.5136.3164.600000110
409S39.1Very low39.9Very low135 Ų135145.5 Ų145.594%0.94483%0.825SS**  trans-87.2134.5178.7-54.80000111.2
410G34.5Very low40.4Very low81 Ų81150.7 Ų150.784%0.83584%0.839SS**  trans-142.1115.1175.100000111.1
411R42.3Very low40.5Very low245 Ų245152.7 Ų152.793%0.92584%0.842SS**  trans-113.5103.5-179.7173.9-166.6179.5-175.81108.6
412L44.1Very low40.9Very low179 Ų179151.9 Ų151.994%0.93784%0.839SS**  trans-135148.8168.6-71.7176.6000110.2
413D40.9Very low41.3Very low140 Ų140154.1 Ų154.175%0.74984%0.842SS**  trans-104.3135175.4-175-68.8000107.4
414E36.3Very low41Very low191 Ų191155.5 Ų155.589%0.89384%0.842SS**  trans-154.9162.6148-138172.4106.200111.4
415S46.3Very low41.2Very low85 Ų85157 Ų15759%0.59484%0.844SS**  trans-124.2-177.4-171.2-72.20000111.6
416V39Very low41.6Very low118 Ų118160.8 Ų160.872%0.71585%0.845SS**  trans67.6111.1164.7-137.50000114.4
417W41.3Very low41.9Very low211 Ų211159.7 Ų159.780%0.79984%0.844SS**  -168.4162.976.5-102.689000113
418R44Very low42.4Very low217 Ų217162.9 Ų162.982%0.81985%0.845SS**  trans-129.4135.1159.7-78.1-175170.4-142.6-0.1109.1
419P61.1Low43.1Very low122 Ų122168.1 Ų168.179%0.79285%0.846SS**  trans-67.8162.316132-33.4000110.7
420Y48Very low43.4Very low293 Ų293171.1 Ų171.1100%1.14984%0.837SS**  trans-60.50-173.5-67.6-92.9000114.3

Retrieved 420 of 420 residues in 271 ms (Link to these results)