A0A087Y8Z0_POEFO Loading...

Fas ligand (TNF superfamily, member 6)

AlphaFold DB , UniProt , Accession A0A087Y8Z0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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
1M34.9Very low40.4Very low250 Ų250172.1 Ų172.1100%1.23283%0.828SS**  0134.20-68.7166.217400107.2
2S39.3Very low40.1Very low117 Ų117167 Ų16782%0.81882%0.815SS**  cis-134.8159-2.4-164.10000111.2
3Y37.2Very low39.8Very low196 Ų196167.3 Ų167.377%0.76981%0.81SS**  trans-80.8157.2161.3-86-113.3000110.4
4D35Very low39.6Very low137 Ų137166.4 Ų166.473%0.73381%0.81SS**  163.6118.9119.2-81.2-17.9000109.2
5Q45.2Very low39.8Very low165 Ų165164.1 Ų164.177%0.77181%0.81SS**  55.7104.969.5-71.7-155.6-6.700114.7
6R33.8Very low39.6Very low244 Ų244163.1 Ų163.192%0.92181%0.809SS**  trans-145.8111.4157.6-64.6-170.4-173.6176.13.7111.3
7Y38.3Very low39.1Very low213 Ų213164.7 Ų164.784%0.83581%0.813SS**  trans-86.9154.6149.2-82.2-82.7000107.8
8P50.7Low38.6Very low125 Ų125159.9 Ų159.981%0.81281%0.813SS**  -148.8159.386.138.5-20000117.1
9F38.8Very low38.2Very low185 Ų185155.9 Ų155.981%0.81182%0.816SS**  trans-93.4173.2154.4-93.9-79.9000108.6
10P51.4Low38.2Very low104 Ų104152.1 Ų152.168%0.67582%0.815SS**  cis-126.9-133.927.325.72.9000112.7
11Q39.9Very low38Very low157 Ų157157.2 Ų157.273%0.73482%0.823SS**  cis-166.210110.2-162162.5-1.600115.5
12V36.3Very low37.7Very low111 Ų111148.8 Ų148.867%0.67380%0.801SS**  trans56.2174160.3-98.90000118.5
13F36.2Very low37.3Very low171 Ų171152 Ų15275%0.7580%0.803SS**  cis-153154.56.9-117.4-49.9000111.3
14L37.3Very low37Very low154 Ų154148.5 Ų148.581%0.80681%0.807SS**  trans64.1158.2157.5-64.7163.9000117
15V42.6Very low36.7Very low133 Ų133145.6 Ų145.681%0.80680%0.802SS**  cis-122.5155.311173.80000111
16D36.8Very low36Very low148 Ų148144.4 Ų144.479%0.79181%0.806SS**  trans-105.8134.3172.6171.633.6000110.7
17E30.9Very low35.9Very low190 Ų190141.3 Ų141.389%0.88880%0.802SS**  trans-157.8134160.6-163.4173.1-166.700113.4
18G29.9Very low36.5Very low79 Ų79135.8 Ų135.881%0.81479%0.792SS**  trans101.390.5153.900000117.3
19G31.1Very low35.6Very low83 Ų83136.5 Ų136.586%0.85679%0.789SS**  trans-160.25.1-179.400000119.7
20G37.8Very low35.7Very low79 Ų79134.2 Ų134.281%0.81479%0.785SS**  trans39.1100.1162.900000121.2
21R33.7Very low35.4Very low260 Ų260135.7 Ų135.798%0.98179%0.785SS**  -156.284118.6-162.5172.3-174.3-1731.2110.8
22G29.9Very low36.1Very low73 Ų73133.4 Ų133.475%0.75378%0.784SS**  trans-121.8-171.2-173.700000114.4
23E29.5Very low36.7Very low186 Ų186133.4 Ų133.487%0.86979%0.788SS**  trans-71.7157.7-167.5-56.3173.9114.600115.4
24S31.4Very low37.2Very low122 Ų122135.2 Ų135.285%0.85379%0.79SS**  trans69165.7160.7840000116.1
25A29.5Very low37.7Very low76 Ų76132 Ų13263%0.62878%0.781SS**  cis-146.2166.86.400000113.2
26T30.2Very low37.4Very low139 Ų139133.9 Ų133.985%0.85378%0.778SS**  trans72.2127.7149.9-52.90000118.5
27Q31.1Very low38.2Very low180 Ų180132.9 Ų132.984%0.84178%0.78SS**  trans-100-155.8176.6-138.3-156.113.700110.1
28P51.4Low38.8Very low97 Ų97133.4 Ų133.463%0.6378%0.782SS**  trans-93178.1-148.143.4-37.9000114.1
29N30.9Very low39.2Very low139 Ų139134.2 Ų134.274%0.74378%0.781SS**  trans-96.9125.4151.7-82.1-39.8000109.6
30L42.1Very low39.7Very low137 Ų137141 Ų14172%0.71778%0.781SS**  66.7134.1103.9-53.6176.2000114.7
31I45.3Very low39.7Very low135 Ų135145 Ų14569%0.69278%0.778SS**  cis-158.5158-8.6-122.3172.8000108.5
32P53.9Low39.9Very low110 Ų110138.2 Ų138.271%0.71477%0.766SS**  trans-95.9164.2-179.537.8-33.7000114.5
33C48.5Very low40.3Very low110 Ų110140.1 Ų140.174%0.74376%0.763SS**  trans-132.4120.5176.9-69.10000111.6
34W47.9Very low40.6Very low210 Ų210142.2 Ų142.280%0.79576%0.763SS**  76.1126.980.8-73.6114.7000111.9F36W34-F36 HydrophobicContact CZ3-CE1 4.21Å; W34-F36 HydrophobicContact CZ3-CE2 4.44Å; W34-F36 AromaticContact CZ3-CZ 3.91Å; W34-F36 HydrophobicContact CZ3-CZ 3.91Å
35S46.9Very low40.8Very low87 Ų87141.2 Ų141.261%0.60876%0.755SS**  cis-156.7-167.56.8-40.60000109.7
36F37.4Very low41.1Very low171 Ų171149.2 Ų149.275%0.7577%0.769SS**  cis-164132.4-10.3-121.1-39.5000109.2W34W34-F36 HydrophobicContact CZ3-CE1 4.21Å; W34-F36 HydrophobicContact CZ3-CE2 4.44Å; W34-F36 AromaticContact CZ3-CZ 3.91Å; W34-F36 HydrophobicContact CZ3-CZ 3.91Å
37P52.7Low41.2Very low128 Ų128148.1 Ų148.183%0.83177%0.767SS**  trans-132-175.116829.8-9.7000116.1
38Q42.8Very low41.7Very low201 Ų201148.6 Ų148.694%0.93977%0.767SS**  trans-76.6162.2-163.9-61.8176.6-11.600117.5
39A40Very low41.1Very low95 Ų95149.4 Ų149.479%0.78577%0.774SS**  trans-162.217117600000115.8
40R40.3Very low41.9Very low226 Ų226155.3 Ų155.385%0.85379%0.786SS**  trans85.7146.7172.3-59.7-169175.7-159.4-0.1116.6
41E37.5Very low41.8Very low164 Ų164152.3 Ų152.377%0.76679%0.788SS**  cis-120.71434.2-66.8-174.9144.300110.1
42T38.9Very low42Very low116 Ų116152 Ų15271%0.71280%0.796SS**  52128.863.556.30000114.5
43V37.3Very low41.8Very low114 Ų114156 Ų15669%0.69181%0.808SS**  cis-163.8160.80.397.40000107.1
44R37.1Very low42.3Very low230 Ų230154.2 Ų154.287%0.86881%0.808SS**  cis-139.6-14718.9-121.6160.1-162.6155.33.8107.4
45S35.9Very low42.8Very low100 Ų100148.9 Ų148.970%0.69980%0.799SS**  cis-157.6153.14.5102.80000113.4
46R35.5Very low43.9Very low244 Ų244147.5 Ų147.592%0.92179%0.789SS**  trans54.688.3139.5-152.9179.9-154.3174.25.9121.3
47S32.5Very low45.5Very low116 Ų116144.5 Ų144.581%0.81179%0.788SS**  -145.5149.5127.7-162.30000112.8S49S47-S49 PolarHBondContact O-N 3.49Å
48K41.1Very low46.5Very low191 Ų191142 Ų14283%0.8377%0.774SS**  trans-48.5115.3-168.6-65.3161.9-179176.90113.2
49S39.6Very low48.4Very low113 Ų113137.1 Ų137.179%0.7975%0.754SS**  54.492.985.174.10000114.4S47S47-S49 PolarHBondContact O-N 3.49Å
50R47.1Very low50.6Low264 Ų264136 Ų136100%0.99674%0.737SS**  trans-92.1124.9171.2-171.7179.2-173.6179.11.8108.4
51G40.6Very low52.8Low73 Ų73130.4 Ų130.475%0.75372%0.722SS**  trans-163106.9-174.700000114.4
52C48.4Very low55.2Low128 Ų128126.6 Ų126.687%0.86571%0.706SS**  trans47.6106.8164.2-153.40000119.7
53M49.7Very low57.7Low194 Ų194124.5 Ų124.596%0.95669%0.693SS**  -142124.3112.8-145.6171.8-170.700108.7V55M53-V55 PolarHBondContact O-N 3.07Å
54G58.7Low60.4Low73 Ų73123.3 Ų123.375%0.75368%0.682SS**  trans-95.994.3-162.700000114.5
55V58.5Low63Low98 Ų98117.8 Ų117.859%0.59467%0.667SS**  trans-131.8132.6151.8-171.90000106.6M53 L59 V60M53-V55 PolarHBondContact O-N 3.07Å; V55-L59 HydrophobicContact CG1-CB 3.85Å; V55-L59 HydrophobicContact CG1-CD1 4.49Å; V55-V60 HydrophobicContact CB-CG2 4.19Å; V55-V60 HydrophobicContact CG1-CG2 3.68Å
56S70.4Confident65.8Low59 Ų59117.8 Ų117.841%0.41366%0.659SS.*  trans-69.2141.4176.672.90000109.5S58 L59 V60S56-S58 PolarHBondContact O-N 3.12Å; S56-S58 VanDerWaalsContact O-N 3.09Å; S56-L59 PolarHBondContact O-N 2.8Å; S56-L59 WeakPolarHBondContact OG-CG 3.42Å; S56-L59 PolarHBondContact OG-N 3.37Å; S56-L59 VanDerWaalsContact OG-N 3.13Å; S56-V60 PolarHBondContact O-N 2.79Å; S56-V60 VanDerWaalsContact O-N 3.1Å
57C70.6Confident68.6Low107 Ų107111.8 Ų111.872%0.72364%0.64SS**Hα-helixtrans-57.3-29.4176.8-56.50000111.5V60 M61C57-V60 PolarHBondContact O-N 3.12Å; C57-M61 WeakPolarHBondContact O-CB 3.42Å; C57-M61 VanDerWaalsContact O-CG 3.28Å; C57-M61 WeakPolarHBondContact O-CG 3.37Å; C57-M61 PolarHBondContact O-N 2.82Å
58S74.8Confident71.6Confident77 Ų77111.7 Ų111.754%0.53863%0.629SS.*Hα-helixtrans-58.3-51170.4-174.90000112.3S56 V60 M61 I62S56-S58 PolarHBondContact O-N 3.12Å; S56-S58 VanDerWaalsContact O-N 3.09Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.47Å; S58-M61 PolarHBondContact O-N 2.75Å; S58-I62 VanDerWaalsContact O-CG1 3.28Å; S58-I62 WeakPolarHBondContact O-CG1 3.35Å; S58-I62 PolarHBondContact O-N 2.77Å
59L81.4Confident74.1Confident98 Ų98108.3 Ų108.351%0.51362%0.62SS.*Hα-helixtrans-61.1-39.8176.3-76.3169.2000112.3V55 S56 I62 V63V55-L59 HydrophobicContact CG1-CB 3.85Å; V55-L59 HydrophobicContact CG1-CD1 4.49Å; S56-L59 PolarHBondContact O-N 2.8Å; S56-L59 WeakPolarHBondContact OG-CG 3.42Å; S56-L59 PolarHBondContact OG-N 3.37Å; S56-L59 VanDerWaalsContact OG-N 3.13Å; L59-I62 PolarHBondContact O-N 2.79Å; L59-V63 WeakPolarHBondContact O-CB 3.38Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.04Å
60V85.9Confident76.7Confident70 Ų70106.6 Ų106.642%0.42461%0.605SS.*Hα-helixtrans-62.1-44.9175.2-177.60000111V55 S56 C57 S58 V63 L64V55-V60 HydrophobicContact CB-CG2 4.19Å; V55-V60 HydrophobicContact CG1-CG2 3.68Å; S56-V60 PolarHBondContact O-N 2.79Å; S56-V60 VanDerWaalsContact O-N 3.1Å; C57-V60 PolarHBondContact O-N 3.12Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.47Å; V60-V63 PolarHBondContact O-N 2.95Å; V60-L64 HydrophobicContact CG1-CD1 4.16Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.95Å
61M86.8Confident79Confident109 Ų109100.5 Ų100.554%0.53759%0.585SS.*Hα-helixtrans-66.6-36.6177.4-69.2-59.1-63.400112.7C57 S58 L64 M65C57-M61 WeakPolarHBondContact O-CB 3.42Å; C57-M61 VanDerWaalsContact O-CG 3.28Å; C57-M61 WeakPolarHBondContact O-CG 3.37Å; C57-M61 PolarHBondContact O-N 2.82Å; S58-M61 PolarHBondContact O-N 2.75Å; M61-L64 PolarHBondContact O-N 2.87Å; M61-L64 HydrophobicContact SD-CD1 4.15Å; M61-M65 WeakPolarHBondContact O-CG 3.27Å; M61-M65 PolarHBondContact O-N 2.85Å
62I89.6Confident81.5Confident84 Ų84100 Ų10043%0.43157%0.574SS.*Hα-helixtrans-64-46.4174.1-69.1164.6000110.2S58 L59 L64 M65 L66S58-I62 VanDerWaalsContact O-CG1 3.28Å; S58-I62 WeakPolarHBondContact O-CG1 3.35Å; S58-I62 PolarHBondContact O-N 2.77Å; L59-I62 PolarHBondContact O-N 2.79Å; I62-L64 PolarHBondContact O-N 3.3Å; I62-M65 PolarHBondContact O-N 3.46Å; I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 WeakPolarHBondContact O-CG 3.48Å; I62-L66 PolarHBondContact O-N 2.87Å
63V91.4Very high83.6Confident73 Ų7396.2 Ų96.244%0.44255%0.553SS.*Hα-helixtrans-61.7-42.5176.7169.10000111.3L59 V60 M65 L66 F67L59-V63 WeakPolarHBondContact O-CB 3.38Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.04Å; V60-V63 PolarHBondContact O-N 2.95Å; V63-M65 PolarHBondContact O-N 2.82Å; V63-L66 PolarHBondContact O-N 2.91Å; V63-F67 HydrophobicContact CG1-CD2 3.76Å; V63-F67 HydrophobicContact CG1-CE2 3.61Å; V63-F67 VanDerWaalsContact O-CD2 3.26Å; V63-F67 WeakPolarHBondContact O-CD2 3.42Å; V63-F67 PolarHBondContact O-N 3.16Å
64L92.7Very high85.7Confident89 Ų8991.4 Ų91.447%0.46653%0.53SS..Hα-helixtrans-61.4-42.5174.2-73.9169.8000112.5V60 M61 I62 F67 L68V60-L64 HydrophobicContact CG1-CD1 4.16Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.95Å; M61-L64 PolarHBondContact O-N 2.87Å; M61-L64 HydrophobicContact SD-CD1 4.15Å; I62-L64 PolarHBondContact O-N 3.3Å; L64-F67 PolarHBondContact O-N 2.9Å; L64-L68 WeakPolarHBondContact O-CG 3.11Å; L64-L68 PolarHBondContact O-N 3.15Å
65M92.6Very high87.2Confident114 Ų11489.8 Ų89.856%0.56251%0.513SS*.Hα-helixtrans-63.6-39.3175.1-75.1-66.2-158.500112.4M61 I62 V63 L68 L69M61-M65 WeakPolarHBondContact O-CG 3.27Å; M61-M65 PolarHBondContact O-N 2.85Å; I62-M65 PolarHBondContact O-N 3.46Å; V63-M65 PolarHBondContact O-N 2.82Å; M65-L68 PolarHBondContact O-N 2.89Å; M65-L68 HydrophobicContact SD-CD1 4.26Å; M65-L69 WeakPolarHBondContact O-CG 3.22Å; M65-L69 PolarHBondContact O-N 2.79Å
66L93.7Very high88.8Confident100 Ų10090.9 Ų90.952%0.52451%0.51SS..Hα-helixtrans-64.4-42175-69.4165.9000111.6I62 V63 L69 V70I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 WeakPolarHBondContact O-CG 3.48Å; I62-L66 PolarHBondContact O-N 2.87Å; V63-L66 PolarHBondContact O-N 2.91Å; L66-L69 PolarHBondContact O-N 2.81Å; L66-V70 WeakPolarHBondContact O-CG2 3.15Å; L66-V70 PolarHBondContact O-N 3.34Å
67F94.5Very high89.5Confident117 Ų11793.3 Ų93.351%0.51352%0.515SS..Hα-helixtrans-61.8-43.6172.2-83.6-66.1000112.2V63 L64 L69 V70 F71V63-F67 HydrophobicContact CG1-CD2 3.76Å; V63-F67 HydrophobicContact CG1-CE2 3.61Å; V63-F67 VanDerWaalsContact O-CD2 3.26Å; V63-F67 WeakPolarHBondContact O-CD2 3.42Å; V63-F67 PolarHBondContact O-N 3.16Å; L64-F67 PolarHBondContact O-N 2.9Å; F67-L69 VanDerWaalsContact C-N 3.32Å; F67-L69 PolarHBondContact O-N 2.79Å; F67-V70 PolarHBondContact O-N 3.49Å; F67-F71 HydrophobicContact CB-CD2 4.36Å; F67-F71 HydrophobicContact CB-CE2 4.26Å; F67-F71 HydrophobicContact CD1-CE2 4.15Å; F67-F71 WeakPolarHBondContact O-CD2 3.2Å; F67-F71 PolarHBondContact O-N 2.56Å
68L95.3Very high90.4Very high114 Ų11490.4 Ų90.460%0.59750%0.499SS*.Hα-helixtrans-60.8-39.4176.5-73170.9000112.3L64 M65 F71 A72L64-L68 WeakPolarHBondContact O-CG 3.11Å; L64-L68 PolarHBondContact O-N 3.15Å; M65-L68 PolarHBondContact O-N 2.89Å; M65-L68 HydrophobicContact SD-CD1 4.26Å; L68-F71 PolarHBondContact O-N 3.31Å; L68-A72 VanDerWaalsContact O-CB 3.25Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 3.27Å
69L94.1Very high91.2Very high120 Ų12093.1 Ų93.163%0.62850%0.497SS*.Hα-helixtrans-65-42174.5-72.3169.6000112.2M65 L66 F67 A72 A73M65-L69 WeakPolarHBondContact O-CG 3.22Å; M65-L69 PolarHBondContact O-N 2.79Å; L66-L69 PolarHBondContact O-N 2.81Å; F67-L69 VanDerWaalsContact C-N 3.32Å; F67-L69 PolarHBondContact O-N 2.79Å; L69-A72 PolarHBondContact O-N 3.03Å; L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.49Å
70V94.8Very high91.4Very high78 Ų7893 Ų9347%0.47349%0.494SS..Hα-helixtrans-63.7-46.4175.2170.20000111.3L66 F67 A72 A73 L74L66-V70 WeakPolarHBondContact O-CG2 3.15Å; L66-V70 PolarHBondContact O-N 3.34Å; F67-V70 PolarHBondContact O-N 3.49Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.32Å; V70-A73 PolarHBondContact O-N 2.82Å; V70-L74 HydrophobicContact CG1-CD1 3.79Å; V70-L74 HydrophobicContact CG1-CG 4.37Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 2.8Å
71F93.6Very high91.4Very high135 Ų13594.3 Ų94.359%0.59250%0.498SS*.Hα-helixtrans-67.1-32.3177.1-72.3-59.9000113F67 L68 G75F67-F71 HydrophobicContact CB-CD2 4.36Å; F67-F71 HydrophobicContact CB-CE2 4.26Å; F67-F71 HydrophobicContact CD1-CE2 4.15Å; F67-F71 WeakPolarHBondContact O-CD2 3.2Å; F67-F71 PolarHBondContact O-N 2.56Å; L68-F71 PolarHBondContact O-N 3.31Å; F71-G75 PolarHBondContact O-N 2.81Å
72A93.6Very high91.3Very high63 Ų6394.5 Ų94.552%0.52150%0.5SS..Hα-helixtrans-67.2-42.117300000112.1L68 L69 V70 F76L68-A72 VanDerWaalsContact O-CB 3.25Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 3.27Å; L69-A72 PolarHBondContact O-N 3.03Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.32Å; A72-F76 VanDerWaalsContact O-CB 3.3Å; A72-F76 WeakPolarHBondContact O-CB 3.36Å; A72-F76 PolarHBondContact O-N 3.22Å
73A92.4Very high91.1Very high49 Ų4996.2 Ų96.241%0.40550%0.501SS..Hα-helixtrans-64.1-52.7175.400000111.6L69 V70 G75 F76 E77L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.49Å; V70-A73 PolarHBondContact O-N 2.82Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 3.31Å; A73-F76 PolarHBondContact O-N 2.99Å; A73-F76 VanDerWaalsContact O-N 3.13Å; A73-E77 WeakPolarHBondContact O-CG 3.24Å; A73-E77 PolarHBondContact O-N 2.78Å
74L93.5Very high90.5Very high93 Ų9397 Ų9749%0.48750%0.503SS..Hα-helixtrans-60.7-37.5177.5-67.7172.3000112.3V70 A78V70-L74 HydrophobicContact CG1-CD1 3.79Å; V70-L74 HydrophobicContact CG1-CG 4.37Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 2.8Å; L74-A78 VanDerWaalsContact O-CB 3.23Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.78Å
75G92.1Very high89.9Confident38 Ų3898.4 Ų98.439%0.39251%0.507SS..Hα-helixtrans-67.4-38.317500000113F71 A73 W79F71-G75 PolarHBondContact O-N 2.81Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 3.31Å; G75-W79 VanDerWaalsContact O-CB 3.28Å; G75-W79 WeakPolarHBondContact O-CB 3.33Å; G75-W79 PolarHBondContact O-N 3.04Å
76F91.8Very high89.3Confident121 Ų12198.6 Ų98.653%0.53151%0.507SS..Hα-helixtrans-68.5-43174.8-177.2-93.1000111.9A72 A73 W79 Q80A72-F76 VanDerWaalsContact O-CB 3.3Å; A72-F76 WeakPolarHBondContact O-CB 3.36Å; A72-F76 PolarHBondContact O-N 3.22Å; A73-F76 PolarHBondContact O-N 2.99Å; A73-F76 VanDerWaalsContact O-N 3.13Å; F76-W79 HydrophobicContact CE2-CE3 4.39Å; F76-W79 HydrophobicContact CE2-CZ3 4.31Å; F76-W79 PolarHBondContact O-N 3Å; F76-Q80 WeakPolarHBondContact O-CB 3.03Å; F76-Q80 PolarHBondContact O-N 2.89Å
77E84.4Confident88.4Confident110 Ų11099.3 Ų99.351%0.51451%0.505SS..Hα-helixtrans-62.6-46.9174.4-72.6176.7177.600111.5A73 W79 Q80 I81A73-E77 WeakPolarHBondContact O-CG 3.24Å; A73-E77 PolarHBondContact O-N 2.78Å; E77-W79 VanDerWaalsContact C-N 3.35Å; E77-W79 PolarHBondContact O-N 3.15Å; E77-Q80 PolarHBondContact O-N 2.54Å; E77-I81 VanDerWaalsContact O-CG1 3.28Å; E77-I81 WeakPolarHBondContact O-CG1 3.32Å; E77-I81 PolarHBondContact O-N 3.15Å
78A90.5Very high87.2Confident47 Ų4798.5 Ų98.539%0.38851%0.506SS..Hα-helixtrans-60.8-41.9175.200000112.1L74 I81 L82L74-A78 VanDerWaalsContact O-CB 3.23Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.78Å; A78-I81 PolarHBondContact O-N 2.96Å; A78-L82 WeakPolarHBondContact O-CB 3.38Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 2.77Å
79W91.4Very high86.1Confident133 Ų133100.7 Ų100.750%0.50451%0.511SS..Hα-helixtrans-64.3-40.5174.2178.679.7000112.3G75 F76 E77 L82 R83G75-W79 VanDerWaalsContact O-CB 3.28Å; G75-W79 WeakPolarHBondContact O-CB 3.33Å; G75-W79 PolarHBondContact O-N 3.04Å; F76-W79 HydrophobicContact CE2-CE3 4.39Å; F76-W79 HydrophobicContact CE2-CZ3 4.31Å; F76-W79 PolarHBondContact O-N 3Å; E77-W79 VanDerWaalsContact C-N 3.35Å; E77-W79 PolarHBondContact O-N 3.15Å; W79-L82 PolarHBondContact O-N 2.86Å; W79-R83 VanDerWaalsContact CH2-NH1 3.31Å; W79-R83 WeakPolarHBondContact O-CB 3.35Å; W79-R83 PolarHBondContact O-N 3.34Å
80Q85.2Confident84.9Confident97 Ų97100.9 Ų100.945%0.45351%0.512SS..Hα-helixtrans-63.9-41.3175.4-179.7171.9-32.700111.4F76 E77 R83 L84F76-Q80 WeakPolarHBondContact O-CB 3.03Å; F76-Q80 PolarHBondContact O-N 2.89Å; E77-Q80 PolarHBondContact O-N 2.54Å; Q80-R83 PolarHBondContact O-N 2.66Å; Q80-L84 HydrophobicContact CG-CD1 4.15Å; Q80-L84 WeakPolarHBondContact O-CB 3.46Å; Q80-L84 WeakPolarHBondContact O-CD1 3.5Å; Q80-L84 VanDerWaalsContact O-CG 3.24Å; Q80-L84 WeakPolarHBondContact O-CG 3.23Å; Q80-L84 PolarHBondContact O-N 3.04Å
81I86.3Confident83.2Confident97 Ų97106.8 Ų106.850%0.49753%0.526SS..Hα-helixtrans-64.3-47.7174.9-68.9163.6000110.8E77 A78 R83 L84 Q85E77-I81 VanDerWaalsContact O-CG1 3.28Å; E77-I81 WeakPolarHBondContact O-CG1 3.32Å; E77-I81 PolarHBondContact O-N 3.15Å; A78-I81 PolarHBondContact O-N 2.96Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 3.49Å; I81-L84 WeakPolarHBondContact O-CB 3.23Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-L84 VanDerWaalsContact O-N 3.15Å; I81-Q85 PolarHBondContact O-N 2.91Å
82L84.6Confident81.5Confident112 Ų112104.2 Ų104.259%0.58652%0.521SS*.Hα-helixtrans-60.7-43176.8-73.2170000111.7A78 W79 L84 Q85 E86A78-L82 WeakPolarHBondContact O-CB 3.38Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 2.77Å; W79-L82 PolarHBondContact O-N 2.86Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 PolarHBondContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 2.68Å; L82-E86 WeakPolarHBondContact O-CB 3.4Å; L82-E86 PolarHBondContact O-N 2.74Å
83R85.6Confident79.1Confident120 Ų120109.6 Ų109.645%0.45354%0.535SS..Hα-helixtrans-69.5-23.7176.9-166.7177.5-174.7-1533.2113.1W79 Q80 I81 K87W79-R83 VanDerWaalsContact CH2-NH1 3.31Å; W79-R83 WeakPolarHBondContact O-CB 3.35Å; W79-R83 PolarHBondContact O-N 3.34Å; Q80-R83 PolarHBondContact O-N 2.66Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 3.49Å; R83-K87 WeakPolarHBondContact O-CB 3.09Å; R83-K87 WeakPolarHBondContact O-CD 3.38Å; R83-K87 VanDerWaalsContact O-CG 3.26Å; R83-K87 WeakPolarHBondContact O-CG 3.33Å; R83-K87 PolarHBondContact O-N 2.99Å
84L78.6Confident76.6Confident90 Ų90113 Ų11347%0.47155%0.553SS.*Hα-helixtrans-76.5-44168.7-76.8164.9000110.9Q80 I81 L82 E86 K87 L88Q80-L84 HydrophobicContact CG-CD1 4.15Å; Q80-L84 WeakPolarHBondContact O-CB 3.46Å; Q80-L84 WeakPolarHBondContact O-CD1 3.5Å; Q80-L84 VanDerWaalsContact O-CG 3.24Å; Q80-L84 WeakPolarHBondContact O-CG 3.23Å; Q80-L84 PolarHBondContact O-N 3.04Å; I81-L84 WeakPolarHBondContact O-CB 3.23Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-L84 VanDerWaalsContact O-N 3.15Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 PolarHBondContact O-N 3.12Å; L84-E86 PolarHBondContact O-N 3.37Å; L84-K87 CarbonylContact O-C 3.56Å; L84-K87 PolarHBondContact O-N 2.93Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 2.76Å
85Q78.6Confident73.9Confident118 Ų118115 Ų11555%0.55156%0.564SS**Hα-helixtrans-63.9-36.8175.7-75.2-170.1-22.300112.7I81 L82 L88 K89I81-Q85 PolarHBondContact O-N 2.91Å; L82-Q85 PolarHBondContact O-N 2.68Å; Q85-L88 PolarHBondContact O-N 2.87Å; Q85-K89 WeakPolarHBondContact O-CB 3.22Å; Q85-K89 PolarHBondContact O-N 3.1Å
86E80.4Confident71.9Confident119 Ų119118.1 Ų118.156%0.55658%0.578SS**Hα-helixtrans-63.5-44.4172.1-175.7178.1-138.200111.4L82 L84 L88 K89 N90L82-E86 WeakPolarHBondContact O-CB 3.4Å; L82-E86 PolarHBondContact O-N 2.74Å; L84-E86 PolarHBondContact O-N 3.37Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-N90 WeakPolarHBondContact O-CB 3.23Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.93Å; E86-N90 PolarHBondContact O-OD1 3.08Å
87K75.8Confident69.2Low115 Ų115119.2 Ų119.250%0.560%0.595SS.*Hα-helixtrans-66.6-22.2174-76.8175.7178.4-1770114.3R83 L84 R91R83-K87 WeakPolarHBondContact O-CB 3.09Å; R83-K87 WeakPolarHBondContact O-CD 3.38Å; R83-K87 VanDerWaalsContact O-CG 3.26Å; R83-K87 WeakPolarHBondContact O-CG 3.33Å; R83-K87 PolarHBondContact O-N 2.99Å; L84-K87 CarbonylContact O-C 3.56Å; L84-K87 PolarHBondContact O-N 2.93Å; K87-R91 VanDerWaalsContact O-CD 3.28Å; K87-R91 WeakPolarHBondContact O-CD 3.46Å; K87-R91 VanDerWaalsContact O-CG 3.26Å; K87-R91 WeakPolarHBondContact O-CG 3.35Å
88L68.8Low66.9Low100 Ų100119.6 Ų119.652%0.52460%0.604SS.*Hα-helixtrans-84.6-47.4172.9-72.9168.1000110.6L84 Q85 E86 N90 R91 V92L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 2.76Å; Q85-L88 PolarHBondContact O-N 2.87Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; L88-N90 VanDerWaalsContact C-N 3.26Å; L88-N90 PolarHBondContact O-N 3.46Å; L88-R91 CarbonylContact O-C 3.49Å; L88-R91 WeakPolarHBondContact O-CA 3.25Å; L88-R91 WeakPolarHBondContact O-CB 3.24Å; L88-R91 PolarHBondContact O-N 2.83Å; L88-V92 HydrophobicContact CB-CG2 4.49Å; L88-V92 WeakPolarHBondContact O-CB 3.48Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.41Å
89K73.1Confident64.6Low160 Ų160125 Ų12570%0.69662%0.622SS**Hα-helixtrans-56.1-42.2176.3-171.1179.4179.5-175.30111.5Q85 E86 R91Q85-K89 WeakPolarHBondContact O-CB 3.22Å; Q85-K89 PolarHBondContact O-N 3.1Å; E86-K89 PolarHBondContact O-N 2.86Å; K89-R91 PolarHBondContact O-N 2.96Å; K89-R91 VanDerWaalsContact O-N 3.08Å
90N68.3Low62.1Low124 Ų124123.5 Ų123.566%0.66363%0.631SS**Hα-helixtrans-75.814175.6-58.8-6.1000113.8E86 L88E86-N90 WeakPolarHBondContact O-CB 3.23Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.93Å; E86-N90 PolarHBondContact O-OD1 3.08Å; L88-N90 VanDerWaalsContact C-N 3.26Å; L88-N90 PolarHBondContact O-N 3.46Å
91R59.6Low60.1Low202 Ų202127.1 Ų127.176%0.76265%0.648SS**Hα-helixtrans-137.1-18.8176.2-73.7-178.3-174.2-96.13.7114.6K87 L88 K89K87-R91 VanDerWaalsContact O-CD 3.28Å; K87-R91 WeakPolarHBondContact O-CD 3.46Å; K87-R91 VanDerWaalsContact O-CG 3.26Å; K87-R91 WeakPolarHBondContact O-CG 3.35Å; L88-R91 CarbonylContact O-C 3.49Å; L88-R91 WeakPolarHBondContact O-CA 3.25Å; L88-R91 WeakPolarHBondContact O-CB 3.24Å; L88-R91 PolarHBondContact O-N 2.83Å; K89-R91 PolarHBondContact O-N 2.96Å; K89-R91 VanDerWaalsContact O-N 3.08Å
92V56.8Low57.8Low81 Ų81125.7 Ų125.749%0.49166%0.657SS.*Hα-helixtrans-90.2-10.3-171.4163.50000112.5L88 P94L88-V92 HydrophobicContact CB-CG2 4.49Å; L88-V92 WeakPolarHBondContact O-CB 3.48Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.41Å; V92-P94 CarbonylContact O-C 3.6Å
93E44.3Very low55.7Low175 Ų175126.9 Ų126.982%0.81867%0.672SS**SBendtrans-101.1103.9168.8-160162.2-173.600107.6
94P40Very low53.7Low121 Ų121130 Ų13079%0.78669%0.692SS**SBendcis-105.1158.711.539.6-33.4000117.1V92V92-P94 CarbonylContact O-C 3.6Å
95D36.9Very low52.1Low134 Ų134135 Ų13572%0.71771%0.71SS**  trans-76.4172.9175-94.9-45.1000115.1
96P50.2Low50.5Low104 Ų104138.6 Ų138.668%0.67573%0.726SS**  cis-136.3165.2-25.936.1-20.2000114.4
97V33.8Very low48.5Very low145 Ų145141.1 Ų141.188%0.87974%0.742SS**  -175.3134.9127.6144.30000109.3
98T36.9Very low46.6Very low117 Ų117138.8 Ų138.872%0.71875%0.75SS**  trans-98.5120-169.2-57.90000113
99E41.7Very low45Very low162 Ų162141.4 Ų141.476%0.75776%0.764SS**  trans54.6161.9144.8-62.7-175.2175.700120
100S39.9Very low43.1Very low100 Ų100143 Ų14370%0.69977%0.767SS**  cis-146.517917.6-152.90000115
101H42.3Very low41.8Very low173 Ų173142.3 Ų142.380%0.80176%0.763SS**  trans-76165.2-176.3-47.5-89.5000112.1
102G37.9Very low41.4Very low68 Ų68137 Ų13770%0.70176%0.755SS**  cis-170.8-146.34.700000108.2
103P41.2Very low40.6Very low137 Ų137140.4 Ų140.489%0.8977%0.77SS**  cis-109.9-171.5-1.641.7-32000112.7
104Q43.3Very low40.6Very low186 Ų186137.5 Ų137.587%0.86977%0.769SS**  trans-108.4160.5-167.7-158.9-175.615.500113.8
105K45.4Very low40.5Very low195 Ų195139.2 Ų139.285%0.84877%0.772SS**  trans94.182.5143-160.2-174.1-175.5-179.90119.1
106Q44.2Very low40.8Very low193 Ų193136.7 Ų136.790%0.90278%0.777SS**  trans-154.1108.6132-157.7167.5-23.400112.3
107I38.7Very low40.2Very low172 Ų172141 Ų14188%0.88279%0.788SS**  trans-169.5156.2157.9-102155000107.1
108G35.4Very low40.8Very low65 Ų65142.2 Ų142.267%0.6779%0.785SS**  trans-75.1175.4-164.900000117.4Y110G108-Y110 PolarHBondContact O-N 3.34Å
109L36.4Very low41.2Very low156 Ų156145.2 Ų145.282%0.81779%0.787SS**  trans-48.6125.7177.2-175.170.5000112.8N111L109-N111 WeakPolarHBondContact CD1-OD1 3.2Å; L109-N111 WeakPolarHBondContact CG-OD1 3.41Å
110Y32.9Very low41.1Very low194 Ų194141.8 Ų141.876%0.76178%0.778SS**  trans-118.4109.9167.8179.7-101.7000108.8G108 P112G108-Y110 PolarHBondContact O-N 3.34Å; Y110-P112 HydrophobicContact CE1-CB 3.95Å; Y110-P112 HydrophobicContact CE1-CG 4.34Å; Y110-P112 WeakPolarHBondContact O-CD 3.43Å
111N39.7Very low41.5Very low109 Ų109145.5 Ų145.558%0.58378%0.784SS**  trans-97.9115.9173.1-70-2.4000108.5L109 D113L109-N111 WeakPolarHBondContact CD1-OD1 3.2Å; L109-N111 WeakPolarHBondContact CG-OD1 3.41Å; N111-D113 PolarHBondContact O-N 3.49Å
112P51.8Low41.8Very low90 Ų90146.6 Ų146.658%0.58479%0.79SS**  trans-90.19516932.9-28.9000110Y110 S114Y110-P112 HydrophobicContact CE1-CB 3.95Å; Y110-P112 HydrophobicContact CE1-CG 4.34Å; Y110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-S114 PolarHBondContact O-N 3.35Å
113D39.4Very low41.9Very low153 Ų153151.5 Ų151.582%0.81879%0.792SS**  trans-64.1118.5156.8-61-43.6000106.2N111N111-D113 PolarHBondContact O-N 3.49Å
114S45.7Very low41.9Very low114 Ų114148.2 Ų148.280%0.79777%0.769SS**  cis124.3-19.934.7168.20000108.8P112P112-S114 PolarHBondContact O-N 3.35Å
115N36.8Very low42.2Very low156 Ų156145.7 Ų145.783%0.83476%0.758SS**  trans-113.1104.2-173-60.921.3000109.6
116G42.6Very low42.4Very low81 Ų81145 Ų14584%0.83576%0.757SS**  trans-85.9135.5176.800000112.4
117E37.5Very low42.7Very low195 Ų195143.3 Ų143.391%0.91175%0.747SS**  trans-137.8103.5159.1-130.7177.7-169.500109.6K119E117-K119 PolarHBondContact O-N 3.19Å
118E47.9Very low44.1Very low171 Ų171141 Ų14180%0.79974%0.741SS**  trans-81.8101.9-176.6175.4-166.2-142.200110.5
119K43.7Very low46.5Very low179 Ų179143.3 Ų143.378%0.77873%0.733SS**  trans-176.1152.2151.3-97.8130.4-144.21480113.1E117E117-K119 PolarHBondContact O-N 3.19Å
120T39.5Very low49.2Very low91 Ų91146 Ų14656%0.55873%0.732SS**  trans78.662.5174.5-29.60000115.6E122 K123 T124T120-E122 PolarHBondContact O-N 2.91Å; T120-K123 HydrophobicContact CG2-CB 4.01Å; T120-K123 HydrophobicContact CG2-CG 4.48Å; T120-T124 PolarHBondContact O-OG1 3.47Å
121E50.4Low52.3Low177 Ų177137.7 Ų137.783%0.82770%0.701SS**G310 helixtrans-64.2-39.8178.7-61.2-177.4123.300112.5K123 T124E121-K123 PolarHBondContact O-N 3.45Å; E121-K123 VanDerWaalsContact O-N 3.12Å; E121-T124 PolarHBondContact O-N 3.29Å; E121-T124 VanDerWaalsContact O-N 3.07Å
122E47.6Very low55.1Low197 Ų197133.2 Ų133.292%0.92168%0.68SS**G310 helixtrans-68.6-12.3-175.1-153.9178.9-149.600115.1T120T120-E122 PolarHBondContact O-N 2.91Å
123K39.6Very low57.3Low171 Ų171129 Ų12974%0.74365%0.653SS**G310 helixtrans-111.61.6172.9-77.4-175.1172.4176.70114.2T120 E121T120-K123 HydrophobicContact CG2-CB 4.01Å; T120-K123 HydrophobicContact CG2-CG 4.48Å; E121-K123 PolarHBondContact O-N 3.45Å; E121-K123 VanDerWaalsContact O-N 3.12Å
124T41.4Very low60.1Low68 Ų68123.4 Ų123.442%0.41762%0.621SS.*THydrogen-bonded Turntrans-94.6-28.2-174.5-61.70000112.3T120 E121 E126 K127T120-T124 PolarHBondContact O-OG1 3.47Å; E121-T124 PolarHBondContact O-N 3.29Å; E121-T124 VanDerWaalsContact O-N 3.07Å; T124-E126 PolarHBondContact O-N 2.82Å; T124-E126 VanDerWaalsContact O-N 3.12Å; T124-K127 CarbonylContact O-C 3.59Å; T124-K127 WeakPolarHBondContact O-CA 3.42Å; T124-K127 WeakPolarHBondContact O-CB 3.45Å; T124-K127 PolarHBondContact O-N 2.94Å; T124-K127 VanDerWaalsContact O-O 3.06Å
125E48.9Very low62.5Low133 Ų133118 Ų11862%0.62158%0.583SS**THydrogen-bonded Turntrans-58.7-23.2178.2-85-137178.800116.4K127 K129E125-K127 PolarHBondContact O-N 2.8Å; E125-K129 WeakPolarHBondContact O-CE 2.98Å; E125-K129 IonicContact OE2-NZ 2.75Å; E125-K129 PolarHBondContact OE2-NZ 2.99Å
126E50.3Low65.3Low180 Ų180111 Ų11184%0.84155%0.546SS*.THydrogen-bonded Turntrans-71.3-23.6175.7-160.9173.6-175.700111.4T124T124-E126 PolarHBondContact O-N 2.82Å; T124-E126 VanDerWaalsContact O-N 3.12Å
127K51Low67.5Low157 Ų157108 Ų10868%0.68352%0.515SS*.THydrogen-bonded Turntrans-89.4102.1166.2-56.8173.2-176.2171.80108.6T124 E125T124-K127 CarbonylContact O-C 3.59Å; T124-K127 WeakPolarHBondContact O-CA 3.42Å; T124-K127 WeakPolarHBondContact O-CB 3.45Å; T124-K127 PolarHBondContact O-N 2.94Å; T124-K127 VanDerWaalsContact O-O 3.06Å; E125-K127 PolarHBondContact O-N 2.8Å
128T66.8Low69.7Low125 Ų125102.7 Ų102.777%0.76749%0.487SS*.THydrogen-bonded Turncis-155.774.917.340.80000109.7R130T128-R130 PolarHBondContact O-N 3.26Å; T128-R130 VanDerWaalsContact O-N 3.15Å
129K87.4Confident70.5Confident113 Ų11398.3 Ų98.349%0.49147%0.472SS..  trans-59.2121.8-179.3-69.1177-176.9172.20109.6E125 G161E125-K129 WeakPolarHBondContact O-CE 2.98Å; E125-K129 IonicContact OE2-NZ 2.75Å; E125-K129 PolarHBondContact OE2-NZ 2.99Å; K129-G161 WeakPolarHBondContact O-CA 3.29Å
130R93Very high71.6Confident213 Ų21395.3 Ų95.380%0.80446%0.461SS*.  trans-62.5137.1-171.8-73.7-173.3178.7-176.5-0.9110.8T128 A132 S160T128-R130 PolarHBondContact O-N 3.26Å; T128-R130 VanDerWaalsContact O-N 3.15Å; R130-A132 PolarHBondContact O-N 3.3Å; R130-S160 CarbonylContact O-C 3.56Å
131P97.1Very high72.6Confident18 Ų1896.6 Ų96.612%0.11746%0.456CS..SBendtrans-65.2105.4-180-19.932.8000111S162 V163 E176 Y180 Y273 K274P131-S162 WeakPolarHBondContact CB-OG 3.37Å; P131-S162 VanDerWaalsContact CG-OG 3.23Å; P131-S162 WeakPolarHBondContact CG-OG 3.46Å; P131-V163 HydrophobicContact CB-CG2 3.82Å; P131-E176 HydrophobicContact CG-CG 4.49Å; P131-E176 WeakPolarHBondContact CG-OE2 3.34Å; P131-Y180 HydrophobicContact CB-CE1 4.14Å; P131-Y273 CarbonylContact O-C 3.5Å; P131-Y273 WeakPolarHBondContact O-CA 3.28Å; P131-K274 HydrophobicContact CB-CB 4.01Å; P131-K274 HydrophobicContact CG-CB 4.16Å; P131-K274 HydrophobicContact CG-CD 4.23Å; P131-K274 PolarHBondContact O-N 3.13Å
132A98.1Very high73.4Confident16 Ų1692.6 Ų92.613%0.13244%0.437CS..EExtended strand (participates in β ladder)trans-155.5149.6-17800000112.1R130 F158 S160 L272R130-A132 PolarHBondContact O-N 3.3Å; A132-F158 HydrophobicContact CB-CE2 3.94Å; A132-F158 HydrophobicContact CB-CZ 4.46Å; A132-S160 PolarHBondContact N-O 3.27Å; A132-S160 PolarHBondContact O-N 3.23Å; A132-L272 CarbonylContact C-O 3.54Å; A132-L272 VanDerWaalsContact CA-O 3.29Å; A132-L272 WeakPolarHBondContact CA-O 3.33Å
133A98.4Very high74.1Confident1 Ų187.2 Ų87.21%0.00842%0.419CS..EExtended strand (participates in β ladder)trans-148.9149.3168.400000111.4F158 T159 V163 L172 G271 L272A133-F158 VanDerWaalsContact CA-O 3.24Å; A133-F158 WeakPolarHBondContact CA-O 3.32Å; A133-F158 WeakPolarHBondContact CB-O 3.41Å; A133-T159 HydrophobicContact CB-CG2 4.04Å; A133-V163 HydrophobicContact CB-CB 4.41Å; A133-V163 HydrophobicContact CB-CG1 3.69Å; A133-L172 HydrophobicContact CB-CD1 4Å; A133-L172 HydrophobicContact CB-CD2 3.65Å; A133-L172 HydrophobicContact CB-CG 4.49Å; A133-G271 CarbonylContact O-C 3.33Å; A133-G271 WeakPolarHBondContact O-CA 3.2Å; A133-L272 PolarHBondContact N-O 3.26Å; A133-L272 PolarHBondContact O-N 2.9Å
134H97.9Very high75.2Confident35 Ų3584.3 Ų84.316%0.16242%0.42CS..EExtended strand (participates in β ladder)trans-135.9125.1168.1-176.484.3000107L136 A157 F158 Y183 F269H134-L136 WeakPolarHBondContact NE2-CD2 3.48Å; H134-A157 CarbonylContact O-C 3.55Å; H134-A157 WeakPolarHBondContact O-CA 3.34Å; H134-F158 HydrophobicContact CB-CD1 3.9Å; H134-F158 HydrophobicContact CB-CE1 3.55Å; H134-F158 HydrophobicContact CB-CZ 4.15Å; H134-F158 PolarHBondContact N-O 3.36Å; H134-F158 PolarHBondContact O-N 3.22Å; H134-F158 VanDerWaalsContact O-O 3.12Å; H134-Y183 AromaticContact ND1-CE2 3.75Å; H134-Y183 AromaticContact ND1-CZ 3.77Å; H134-Y183 PolarHBondContact ND1-OH 3.28Å; H134-F269 AromaticContact CE1-CD2 3.84Å; H134-F269 AromaticContact CE1-CG 3.74Å
135V96.8Very high77.1Confident0 Ų084.1 Ų84.10%042%0.415CS..EExtended strand (participates in β ladder)trans-130.5135.5-176.3-57.80000109.9W150 E151 P152 Y165 L172 F269 F270V135-W150 HydrophobicContact CB-CB 3.67Å; V135-W150 HydrophobicContact CB-CG 4.32Å; V135-W150 HydrophobicContact CG2-CB 3.39Å; V135-W150 HydrophobicContact CG2-CD2 4.01Å; V135-W150 HydrophobicContact CG2-CE3 4.48Å; V135-W150 HydrophobicContact CG2-CG 3.5Å; V135-E151 WeakPolarHBondContact CA-O 3.22Å; V135-P152 HydrophobicContact CG1-CB 4.19Å; V135-Y165 HydrophobicContact CG1-CD2 4.48Å; V135-L172 HydrophobicContact CG1-CD2 4.04Å; V135-L172 HydrophobicContact CG2-CD1 4.42Å; V135-F269 WeakPolarHBondContact O-CA 3.33Å; V135-F270 HydrophobicContact CG2-CB 3.98Å; V135-F270 HydrophobicContact CG2-CD1 3.89Å; V135-F270 HydrophobicContact CG2-CG 4.3Å; V135-F270 VanDerWaalsContact CG2-O 3.32Å; V135-F270 WeakPolarHBondContact CG2-O 3.4Å; V135-F270 PolarHBondContact N-O 2.94Å; V135-F270 PolarHBondContact O-N 2.9Å
136L95.1Very high78.9Confident10 Ų1083.3 Ų83.35%0.05241%0.412CS..EExtended strand (participates in β ladder)trans-97.4158.3-169.3-66.3175000111.5H134 R138 W150 E151 A157 Y266 F269H134-L136 WeakPolarHBondContact NE2-CD2 3.48Å; L136-R138 PolarHBondContact O-N 3.41Å; L136-W150 CarbonylContact O-C 3.55Å; L136-W150 WeakPolarHBondContact O-CA 3.4Å; L136-E151 PolarHBondContact N-O 2.77Å; L136-E151 PolarHBondContact O-N 3.26Å; L136-A157 HydrophobicContact CD1-CB 4.25Å; L136-A157 HydrophobicContact CG-CB 4.11Å; L136-Y266 HydrophobicContact CD1-CD1 4.49Å; L136-Y266 HydrophobicContact CD1-CE1 4.28Å; L136-Y266 HydrophobicContact CD2-CD1 4.37Å; L136-F269 HydrophobicContact CD2-CB 4.18Å
137G89.8Confident81Confident18 Ų1876.1 Ų76.119%0.18638%0.381CS..EExtended strand (participates in β ladder)trans-58.8124.7177.400000112N268G137-N268 PolarHBondContact N-O 3.14Å
138R83.9Confident83Confident83 Ų8369.2 Ų69.231%0.31335%0.352SS..PPolyproline II helixtrans-85.8134177.1-167.4177.1175.2178.6-3.6110.2L136 E140L136-R138 PolarHBondContact O-N 3.41Å; R138-E140 HydrophobicContact CG-CB 4.2Å; R138-E140 IonicContact CZ-OE1 3.89Å; R138-E140 IonicContact CZ-OE2 2.77Å; R138-E140 VanDerWaalsContact NE-CD 3.3Å; R138-E140 IonicContact NE-OE1 2.74Å; R138-E140 PolarHBondContact NE-OE1 2.89Å; R138-E140 IonicContact NE-OE2 3.49Å; R138-E140 IonicContact NH2-OE1 2.66Å; R138-E140 PolarHBondContact NH2-OE1 3.2Å; R138-E140 IonicContact NH2-OE2 2.79Å; R138-E140 PolarHBondContact NH2-OE2 2.98Å; R138-E140 PolarHBondContact O-N 2.77Å
139T64.9Low84.2Confident80 Ų8066.1 Ų66.149%0.49133%0.326SS..SBendtrans-72.2-7.4-178.7-30.30000114H263T139-H263 HydrophobicContact CG2-CB 4.49Å; T139-H263 VanDerWaalsContact CG2-ND1 3.34Å; T139-H263 WeakPolarHBondContact CG2-ND1 3.34Å
140E66.1Low84.5Confident116 Ų11660.9 Ų60.954%0.54230%0.303SS..  trans-86.6114.1179.6-75.9167.8-105.200111.7R138R138-E140 HydrophobicContact CG-CB 4.2Å; R138-E140 IonicContact CZ-OE1 3.89Å; R138-E140 IonicContact CZ-OE2 2.77Å; R138-E140 VanDerWaalsContact NE-CD 3.3Å; R138-E140 IonicContact NE-OE1 2.74Å; R138-E140 PolarHBondContact NE-OE1 2.89Å; R138-E140 IonicContact NE-OE2 3.49Å; R138-E140 IonicContact NH2-OE1 2.66Å; R138-E140 PolarHBondContact NH2-OE1 3.2Å; R138-E140 IonicContact NH2-OE2 2.79Å; R138-E140 PolarHBondContact NH2-OE2 2.98Å; R138-E140 PolarHBondContact O-N 2.77Å
141Y60.1Low84.5Confident118 Ų11853.3 Ų53.346%0.46328%0.277SS..  trans-96.7122.7-173.3164.5-117.8000112.1P143 T259Y141-P143 HydrophobicContact CD1-CG 4.2Å; Y141-P143 HydrophobicContact CE1-CB 4.17Å; Y141-P143 HydrophobicContact CE1-CG 3.57Å; Y141-P143 HydrophobicContact CE2-CB 4.42Å; Y141-P143 HydrophobicContact CE2-CG 4.48Å; Y141-T259 HydrophobicContact CE2-CG2 3.96Å; Y141-T259 WeakPolarHBondContact OH-CG2 3.28Å
142H67.5Low84.5Confident93 Ų9353.2 Ų53.243%0.43128%0.276SS..  trans-108.2104.9168-81.5-63.5000110.3S144 Q145H142-S144 PolarHBondContact O-N 3.04Å; H142-Q145 HydrophobicContact CB-CB 4.25Å; H142-Q145 HydrophobicContact CB-CG 4.2Å; H142-Q145 PolarHBondContact O-N 3.47Å; H142-Q145 VanDerWaalsContact O-N 3.15Å
143P61.7Low84.3Confident83 Ų8360.7 Ų60.754%0.53931%0.306SS..THydrogen-bonded Turntrans-53.9-31.1-174.1-23.926.6000115.8Y141Y141-P143 HydrophobicContact CD1-CG 4.2Å; Y141-P143 HydrophobicContact CE1-CB 4.17Å; Y141-P143 HydrophobicContact CE1-CG 3.57Å; Y141-P143 HydrophobicContact CE2-CB 4.42Å; Y141-P143 HydrophobicContact CE2-CG 4.48Å
144S63.1Low84Confident110 Ų11063.2 Ų63.277%0.76933%0.326SS*.THydrogen-bonded Turntrans-90.8-0.2-173.352.30000114.6H142H142-S144 PolarHBondContact O-N 3.04Å
145Q81.3Confident83.7Confident65 Ų6564.7 Ų64.730%0.30435%0.351SS..  trans-113.5105.6-174.7-63.8-178.628.200110.8H142 T147 R149H142-Q145 HydrophobicContact CB-CB 4.25Å; H142-Q145 HydrophobicContact CB-CG 4.2Å; H142-Q145 PolarHBondContact O-N 3.47Å; H142-Q145 VanDerWaalsContact O-N 3.15Å; Q145-T147 PolarHBondContact O-N 2.86Å; Q145-R149 VanDerWaalsContact OE1-CZ 3.31Å
146M87.5Confident83.5Confident115 Ų11571.4 Ų71.457%0.56738%0.382SS*.  trans-68.1-25.3169.8-66.3175.5178.700112.2N254 V255M146-N254 VanDerWaalsContact O-CA 3.3Å; M146-N254 WeakPolarHBondContact O-CA 3.26Å; M146-N254 PolarHBondContact O-OD1 2.85Å; M146-V255 PolarHBondContact O-N 3.05Å
147T93.1Very high83.5Confident29 Ų2971.4 Ų71.418%0.17838%0.383CS..BIsolated β-bridgetrans-79124.2175.6-52.10000109.9Q145 F204 Y252 V253 N254Q145-T147 PolarHBondContact O-N 2.86Å; T147-F204 HydrophobicContact CG2-CZ 4.22Å; T147-Y252 HydrophobicContact CG2-CD1 3.74Å; T147-Y252 HydrophobicContact CG2-CG 4.34Å; T147-V253 WeakPolarHBondContact CA-O 3.34Å; T147-N254 WeakPolarHBondContact CA-OD1 3.31Å; T147-N254 WeakPolarHBondContact CB-OD1 3.13Å; T147-N254 PolarHBondContact N-OD1 2.93Å; T147-N254 PolarHBondContact OG1-OD1 3.35Å
148L93.1Very high83.9Confident13 Ų1375.1 Ų75.17%0.06840%0.395CS..PPolyproline II helixtrans-79.7140.5-171.8-55.1-167.8000111.8W150 V186 V253 V255 P258 L261L148-W150 HydrophobicContact CB-CH2 4.45Å; L148-W150 HydrophobicContact CB-CZ2 3.66Å; L148-W150 HydrophobicContact CD1-CH2 3.94Å; L148-W150 HydrophobicContact CD1-CZ2 3.79Å; L148-W150 HydrophobicContact CG-CZ2 4.31Å; L148-W150 PolarHBondContact O-NE1 2.82Å; L148-V186 HydrophobicContact CD1-CG1 3.98Å; L148-V253 HydrophobicContact CD1-CG1 4.16Å; L148-V253 PolarHBondContact N-O 3.1Å; L148-V255 HydrophobicContact CD1-CB 4.32Å; L148-V255 HydrophobicContact CD1-CG2 3.87Å; L148-V255 HydrophobicContact CD2-CB 4.29Å; L148-P258 HydrophobicContact CD2-CB 4.13Å; L148-L261 HydrophobicContact CD1-CD1 3.89Å; L148-L261 HydrophobicContact CD1-CD2 4.48Å; L148-L261 HydrophobicContact CD2-CD1 3.55Å; L148-L261 HydrophobicContact CG-CD1 4.37Å
149R92.6Very high84.5Confident60 Ų6073.9 Ų73.923%0.22640%0.396CS..PPolyproline II helixtrans-103.1142.5170.6-65.8179.3-176.5-97.8-10.5109.1Q145 I167 E168Q145-R149 VanDerWaalsContact OE1-CZ 3.31Å; R149-I167 PolarHBondContact NH1-O 3.48Å; R149-E168 VanDerWaalsContact CZ-O 3.31Å; R149-E168 PolarHBondContact NH1-O 3.04Å; R149-E168 PolarHBondContact NH2-O 3.14Å
150W93.6Very high86Confident2 Ų271.9 Ų71.91%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-122.1160.5-172.1-51.792.5000111.2V135 L136 L148 Y165 V186 V253 N268 F269 F270V135-W150 HydrophobicContact CB-CB 3.67Å; V135-W150 HydrophobicContact CB-CG 4.32Å; V135-W150 HydrophobicContact CG2-CB 3.39Å; V135-W150 HydrophobicContact CG2-CD2 4.01Å; V135-W150 HydrophobicContact CG2-CE3 4.48Å; V135-W150 HydrophobicContact CG2-CG 3.5Å; L136-W150 CarbonylContact O-C 3.55Å; L136-W150 WeakPolarHBondContact O-CA 3.4Å; L148-W150 HydrophobicContact CB-CH2 4.45Å; L148-W150 HydrophobicContact CB-CZ2 3.66Å; L148-W150 HydrophobicContact CD1-CH2 3.94Å; L148-W150 HydrophobicContact CD1-CZ2 3.79Å; L148-W150 HydrophobicContact CG-CZ2 4.31Å; L148-W150 PolarHBondContact O-NE1 2.82Å; W150-Y165 HydrophobicContact CB-CE2 4.09Å; W150-Y165 PolarHBondContact N-OH 3.47Å; W150-Y165 PolarHBondContact O-OH 3.47Å; W150-V186 HydrophobicContact CH2-CG1 4.48Å; W150-V253 HydrophobicContact CZ2-CB 3.83Å; W150-V253 HydrophobicContact CZ2-CG1 4.14Å; W150-V253 HydrophobicContact CZ2-CG2 3.87Å; W150-N268 HydrophobicContact CZ3-CB 4.17Å; W150-F269 VanDerWaalsContact CZ3-C 3.5Å; W150-F269 VanDerWaalsContact CZ3-CA 3.48Å; W150-F270 AromaticContact CD1-CD1 3.9Å; W150-F270 HydrophobicContact CD2-CB 3.87Å; W150-F270 HydrophobicContact CE3-CB 4.14Å; W150-F270 HydrophobicContact CG-CD1 4.47Å; W150-F270 HydrophobicContact CH2-CB 3.89Å; W150-F270 HydrophobicContact CZ2-CB 3.57Å; W150-F270 HydrophobicContact CZ2-CG 4.36Å; W150-F270 HydrophobicContact CZ3-CB 4.17Å; W150-F270 AromaticContact NE1-CD1 3.59Å
151E94.1Very high87.4Confident54 Ų5468.3 Ų68.325%0.25238%0.38SS..EExtended strand (participates in β ladder)trans-92.3115.9169174.940.4-119.600108.6V135 L136 K153 A154 A157V135-E151 WeakPolarHBondContact CA-O 3.22Å; L136-E151 PolarHBondContact N-O 2.77Å; L136-E151 PolarHBondContact O-N 3.26Å; E151-K153 WeakPolarHBondContact OE1-CA 3.47Å; E151-K153 PolarHBondContact OE1-N 2.83Å; E151-A154 HydrophobicContact CG-CB 3.64Å; E151-A154 PolarHBondContact OE1-N 3.22Å; E151-A157 WeakPolarHBondContact O-CB 3.13Å
152P95.1Very high89Confident16 Ų1663.9 Ų63.910%0.10437%0.366CS..SBendtrans-96.4-5.8-171.237.7-39000116.2V135 Y165V135-P152 HydrophobicContact CG1-CB 4.19Å; P152-Y165 HydrophobicContact CB-CD1 3.44Å; P152-Y165 VanDerWaalsContact CB-CD1 3.44Å; P152-Y165 HydrophobicContact CB-CE1 3.99Å; P152-Y165 HydrophobicContact CB-CG 3.74Å; P152-Y165 HydrophobicContact CG-CD1 3.52Å; P152-Y165 HydrophobicContact CG-CE1 3.78Å; P152-Y165 HydrophobicContact CG-CG 4.33Å
153K94.3Very high90.4Very high174 Ų17459.7 Ų59.776%0.75735%0.347SS*.SBendtrans-139.2-23.9-170.3-69.5-179179.4-174.50115.6E151E151-K153 WeakPolarHBondContact OE1-CA 3.47Å; E151-K153 PolarHBondContact OE1-N 2.83Å
154A91.8Very high92.1Very high53 Ų5357.1 Ų57.144%0.43833%0.333SS..SBendtrans-85.6149.5-177.800000112.6E151 Q156 A157E151-A154 HydrophobicContact CG-CB 3.64Å; E151-A154 PolarHBondContact OE1-N 3.22Å; A154-Q156 PolarHBondContact O-N 2.9Å; A154-A157 VanDerWaalsContact O-CB 3.31Å; A154-A157 WeakPolarHBondContact O-CB 3.14Å; A154-A157 PolarHBondContact O-N 3.4Å
155G91.8Very high93.8Very high66 Ų6653.1 Ų53.168%0.6830%0.301SS*.THydrogen-bonded Turntrans65.9-122.7-179.300000111.8
156Q93.1Very high94.5Very high142 Ų14252.2 Ų52.266%0.66430%0.297SS*.THydrogen-bonded Turntrans-96.511.8177.4-64.3-67.9-11.800113A154A154-Q156 PolarHBondContact O-N 2.9Å
157A95.8Very high94.7Very high9 Ų952 Ų527%0.07430%0.297CS..  trans-78.3137.3177.100000112H134 L136 E151 A154H134-A157 CarbonylContact O-C 3.55Å; H134-A157 WeakPolarHBondContact O-CA 3.34Å; L136-A157 HydrophobicContact CD1-CB 4.25Å; L136-A157 HydrophobicContact CG-CB 4.11Å; E151-A157 WeakPolarHBondContact O-CB 3.13Å; A154-A157 VanDerWaalsContact O-CB 3.31Å; A154-A157 WeakPolarHBondContact O-CB 3.14Å; A154-A157 PolarHBondContact O-N 3.4Å
158F96.9Very high94.5Very high96 Ų9655.6 Ų55.642%0.42131%0.311SS..EExtended strand (participates in β ladder)trans-151.5158.5177.272-90.8000113A132 A133 H134A132-F158 HydrophobicContact CB-CE2 3.94Å; A132-F158 HydrophobicContact CB-CZ 4.46Å; A133-F158 VanDerWaalsContact CA-O 3.24Å; A133-F158 WeakPolarHBondContact CA-O 3.32Å; A133-F158 WeakPolarHBondContact CB-O 3.41Å; H134-F158 HydrophobicContact CB-CD1 3.9Å; H134-F158 HydrophobicContact CB-CE1 3.55Å; H134-F158 HydrophobicContact CB-CZ 4.15Å; H134-F158 PolarHBondContact N-O 3.36Å; H134-F158 PolarHBondContact O-N 3.22Å; H134-F158 VanDerWaalsContact O-O 3.12Å
159T97.6Very high94.3Very high57 Ų5756.4 Ų56.435%0.3532%0.316SS..EExtended strand (participates in β ladder)trans-130.5131.8164.856.10000109A133A133-T159 HydrophobicContact CB-CG2 4.04Å
160S96.1Very high94.2Very high38 Ų3853.6 Ų53.627%0.26631%0.305SS..EExtended strand (participates in β ladder)trans-141.4149.4-172.2-166.40000112.3R130 A132R130-S160 CarbonylContact O-C 3.56Å; A132-S160 PolarHBondContact N-O 3.27Å; A132-S160 PolarHBondContact O-N 3.23Å
161G95.1Very high94.4Very high42 Ų4253.5 Ų53.543%0.43331%0.305SS..THydrogen-bonded Turntrans61.6-139.1-177.600000112.7K129 V163K129-G161 WeakPolarHBondContact O-CA 3.29Å; G161-V163 PolarHBondContact O-N 3.33Å; G161-V163 VanDerWaalsContact O-N 3.16Å
162S94.6Very high94.6Very high24 Ų2450.9 Ų50.917%0.16829%0.293CS..THydrogen-bonded Turntrans-8120.8-177.963.40000114.6P131 N175 E176P131-S162 WeakPolarHBondContact CB-OG 3.37Å; P131-S162 VanDerWaalsContact CG-OG 3.23Å; P131-S162 WeakPolarHBondContact CG-OG 3.46Å; S162-N175 WeakPolarHBondContact O-CB 3.14Å; S162-N175 PolarHBondContact O-N 2.96Å; S162-E176 VanDerWaalsContact CB-OE2 3.27Å; S162-E176 WeakPolarHBondContact CB-OE2 3.49Å; S162-E176 WeakPolarHBondContact OG-CG 3.47Å; S162-E176 PolarHBondContact OG-OE2 3.02Å
163V97.4Very high94.7Very high5 Ų551.2 Ų51.23%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-107.7126.5175.2-173.20000110.2P131 A133 G161 L172 Q173 V174 Y180 L272P131-V163 HydrophobicContact CB-CG2 3.82Å; A133-V163 HydrophobicContact CB-CB 4.41Å; A133-V163 HydrophobicContact CB-CG1 3.69Å; G161-V163 PolarHBondContact O-N 3.33Å; G161-V163 VanDerWaalsContact O-N 3.16Å; V163-L172 HydrophobicContact CG1-CD2 4.29Å; V163-Q173 WeakPolarHBondContact CA-O 3.3Å; V163-V174 HydrophobicContact CG2-CG1 4.38Å; V163-Y180 HydrophobicContact CG2-CE1 4.44Å; V163-L272 HydrophobicContact CB-CD1 4.5Å; V163-L272 HydrophobicContact CG1-CD1 3.9Å; V163-L272 HydrophobicContact CG2-CD1 3.72Å
164A97.4Very high94.9Very high29 Ų2942.9 Ų42.924%0.2426%0.257CS..EExtended strand (participates in β ladder)trans-126.7129.8-179.400000111.7Q173A164-Q173 PolarHBondContact N-O 2.84Å; A164-Q173 PolarHBondContact O-N 2.82Å
165Y97.7Very high95.1Very high26 Ų2642.9 Ų42.910%0.10225%0.249CC..EExtended strand (participates in β ladder)trans-76.4145.8171.8-179.7-111.2000111.9V135 W150 P152 I167 G170 A171 L172V135-Y165 HydrophobicContact CG1-CD2 4.48Å; W150-Y165 HydrophobicContact CB-CE2 4.09Å; W150-Y165 PolarHBondContact N-OH 3.47Å; W150-Y165 PolarHBondContact O-OH 3.47Å; P152-Y165 HydrophobicContact CB-CD1 3.44Å; P152-Y165 VanDerWaalsContact CB-CD1 3.44Å; P152-Y165 HydrophobicContact CB-CE1 3.99Å; P152-Y165 HydrophobicContact CB-CG 3.74Å; P152-Y165 HydrophobicContact CG-CD1 3.52Å; P152-Y165 HydrophobicContact CG-CE1 3.78Å; P152-Y165 HydrophobicContact CG-CG 4.33Å; Y165-I167 HydrophobicContact CD1-CG1 3.82Å; Y165-I167 HydrophobicContact CE1-CB 4.42Å; Y165-I167 HydrophobicContact CE1-CG1 3.88Å; Y165-G170 WeakPolarHBondContact CE2-O 3.34Å; Y165-A171 CarbonylContact C-O 3.51Å; Y165-A171 WeakPolarHBondContact CA-O 3.4Å; Y165-A171 VanDerWaalsContact CD2-O 3.23Å; Y165-A171 WeakPolarHBondContact CD2-O 3.41Å; Y165-L172 HydrophobicContact CD2-CD2 4.08Å
166K95.9Very high95.3Very high47 Ų4742.8 Ų42.820%0.20423%0.231CC..  trans-113.2101.1-179.6-63.3-53.9-175.5-175.30110E168 D169 G170 A171 Q173K166-E168 WeakPolarHBondContact CA-OE2 3.34Å; K166-E168 WeakPolarHBondContact CB-OE2 3.3Å; K166-E168 PolarHBondContact O-N 2.77Å; K166-D169 WeakPolarHBondContact CB-OD1 3.43Å; K166-D169 PolarHBondContact O-N 2.96Å; K166-G170 WeakPolarHBondContact O-CA 3.41Å; K166-G170 PolarHBondContact O-N 2.91Å; K166-A171 HydrophobicContact CB-CB 3.93Å; K166-A171 HydrophobicContact CG-CB 4.07Å; K166-A171 PolarHBondContact N-O 3.44Å; K166-Q173 HydrophobicContact CG-CB 4.23Å
167I91Very high95.5Very high110 Ų11039 Ų3956%0.56422%0.22SC*.THydrogen-bonded Turntrans-65.7-27.2-176.6-57.5173.7000110.6R149 Y165R149-I167 PolarHBondContact NH1-O 3.48Å; Y165-I167 HydrophobicContact CD1-CG1 3.82Å; Y165-I167 HydrophobicContact CE1-CB 4.42Å; Y165-I167 HydrophobicContact CE1-CG1 3.88Å
168E89.1Confident95.6Very high104 Ų10439.1 Ų39.149%0.48622%0.222SC..THydrogen-bonded Turntrans-65.7-38.9-178.670.3-84.2-161.100113.4R149 K166 R250R149-E168 VanDerWaalsContact CZ-O 3.31Å; R149-E168 PolarHBondContact NH1-O 3.04Å; R149-E168 PolarHBondContact NH2-O 3.14Å; K166-E168 WeakPolarHBondContact CA-OE2 3.34Å; K166-E168 WeakPolarHBondContact CB-OE2 3.3Å; K166-E168 PolarHBondContact O-N 2.77Å; E168-R250 IonicContact OE1-CZ 3.66Å; E168-R250 IonicContact OE1-NH1 2.82Å; E168-R250 PolarHBondContact OE1-NH1 2.86Å; E168-R250 IonicContact OE1-NH2 3.15Å; E168-R250 PolarHBondContact OE1-NH2 2.87Å
169D88.7Confident95.7Very high31 Ų3138.3 Ų38.317%0.16622%0.221CC..THydrogen-bonded Turntrans-134.7-0.6-168.969.7-3.1000115.3K166 A171 R250 Y252K166-D169 WeakPolarHBondContact CB-OD1 3.43Å; K166-D169 PolarHBondContact O-N 2.96Å; D169-A171 WeakPolarHBondContact OD1-CB 3.35Å; D169-A171 PolarHBondContact OD1-N 2.81Å; D169-A171 VanDerWaalsContact OD1-N 3.15Å; D169-R250 IonicContact OD1-NH1 3.38Å; D169-R250 PolarHBondContact OD1-NH1 3.32Å; D169-R250 IonicContact OD2-CZ 3.48Å; D169-R250 IonicContact OD2-NH1 2.79Å; D169-R250 PolarHBondContact OD2-NH1 2.97Å; D169-Y252 HydrophobicContact CB-CE1 4.06Å; D169-Y252 WeakPolarHBondContact OD2-CE1 3.5Å; D169-Y252 PolarHBondContact OD2-OH 2.9Å
170G92.2Very high95.7Very high0 Ų035.6 Ų35.60%021%0.205CC..  trans84.56.1177.400000115.4Y165 K166Y165-G170 WeakPolarHBondContact CE2-O 3.34Å; K166-G170 WeakPolarHBondContact O-CA 3.41Å; K166-G170 PolarHBondContact O-N 2.91Å
171A96.5Very high95.8Very high0 Ų035.9 Ų35.90%020%0.202CC..  trans-74.2149.4-17500000114.1Y165 K166 D169 R250 V251 Y252Y165-A171 CarbonylContact C-O 3.51Å; Y165-A171 WeakPolarHBondContact CA-O 3.4Å; Y165-A171 VanDerWaalsContact CD2-O 3.23Å; Y165-A171 WeakPolarHBondContact CD2-O 3.41Å; K166-A171 HydrophobicContact CB-CB 3.93Å; K166-A171 HydrophobicContact CG-CB 4.07Å; K166-A171 PolarHBondContact N-O 3.44Å; D169-A171 WeakPolarHBondContact OD1-CB 3.35Å; D169-A171 PolarHBondContact OD1-N 2.81Å; D169-A171 VanDerWaalsContact OD1-N 3.15Å; A171-R250 HydrophobicContact CB-CB 3.87Å; A171-R250 HydrophobicContact CB-CG 4.16Å; A171-V251 WeakPolarHBondContact CA-O 3.48Å; A171-Y252 HydrophobicContact CB-CD1 3.94Å; A171-Y252 HydrophobicContact CB-CE1 3.54Å; A171-Y252 HydrophobicContact CB-CE2 4.19Å; A171-Y252 HydrophobicContact CB-CG 4.45Å
172L98.4Very high96Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-93.7115.5150.8-71.5176.3000108.4A133 V135 V163 Y165 V251 F270 L272A133-L172 HydrophobicContact CB-CD1 4Å; A133-L172 HydrophobicContact CB-CD2 3.65Å; A133-L172 HydrophobicContact CB-CG 4.49Å; V135-L172 HydrophobicContact CG1-CD2 4.04Å; V135-L172 HydrophobicContact CG2-CD1 4.42Å; V163-L172 HydrophobicContact CG1-CD2 4.29Å; Y165-L172 HydrophobicContact CD2-CD2 4.08Å; L172-V251 PolarHBondContact N-O 3.46Å; L172-V251 PolarHBondContact O-N 2.85Å; L172-F270 HydrophobicContact CB-CE1 3.9Å; L172-F270 HydrophobicContact CB-CZ 4.03Å; L172-F270 HydrophobicContact CD1-CD1 3.83Å; L172-F270 HydrophobicContact CD1-CE1 3.56Å; L172-F270 HydrophobicContact CD1-CE2 4.24Å; L172-F270 HydrophobicContact CD1-CG 4.3Å; L172-F270 HydrophobicContact CD1-CZ 3.77Å; L172-F270 HydrophobicContact CG-CD1 4.07Å; L172-F270 HydrophobicContact CG-CE1 3.55Å; L172-F270 HydrophobicContact CG-CZ 4.04Å; L172-L272 HydrophobicContact CB-CD2 3.83Å; L172-L272 HydrophobicContact CD1-CD2 4.07Å; L172-L272 HydrophobicContact CD1-CG 4.13Å
173Q98.3Very high96.2Very high22 Ų2234.2 Ų34.210%0.10318%0.179CC..EExtended strand (participates in β ladder)trans-98.8127.1176.4-169.2-174.2-72.700110.3V163 A164 K166 N175 D249 R250V163-Q173 WeakPolarHBondContact CA-O 3.3Å; A164-Q173 PolarHBondContact N-O 2.84Å; A164-Q173 PolarHBondContact O-N 2.82Å; K166-Q173 HydrophobicContact CG-CB 4.23Å; Q173-N175 PolarHBondContact NE2-OD1 3.02Å; Q173-D249 WeakPolarHBondContact CA-O 3.26Å; Q173-R250 HydrophobicContact CB-CG 4.12Å; Q173-R250 HydrophobicContact CG-CG 3.94Å
174V97.8Very high96.3Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-91.2138.1170.5-60.10000110.6V163 Y180 L245 M246 F248 D249 L272V163-V174 HydrophobicContact CG2-CG1 4.38Å; V174-Y180 HydrophobicContact CB-CE1 4.47Å; V174-Y180 HydrophobicContact CB-CE2 4.41Å; V174-Y180 HydrophobicContact CG1-CD1 4.28Å; V174-Y180 HydrophobicContact CG1-CE1 3.73Å; V174-Y180 HydrophobicContact CG1-CE2 4.2Å; V174-L245 HydrophobicContact CG1-CD1 3.92Å; V174-L245 HydrophobicContact CG2-CB 3.98Å; V174-L245 HydrophobicContact CG2-CD1 4.26Å; V174-M246 WeakPolarHBondContact CG2-O 2.99Å; V174-F248 WeakPolarHBondContact O-CA 3.25Å; V174-F248 PolarHBondContact O-N 2.9Å; V174-D249 HydrophobicContact CG2-CB 3.98Å; V174-D249 PolarHBondContact N-O 2.86Å; V174-D249 VanDerWaalsContact N-O 3.12Å; V174-L272 HydrophobicContact CG1-CD1 3.76Å; V174-L272 HydrophobicContact CG1-CD2 4.29Å
175N96.3Very high96.3Very high52 Ų5235.7 Ų35.728%0.27818%0.178SC..SBendtrans-105.37.1-179.5-62.4-37.6000113.4S162 Q173 K247S162-N175 WeakPolarHBondContact O-CB 3.14Å; S162-N175 PolarHBondContact O-N 2.96Å; Q173-N175 PolarHBondContact NE2-OD1 3.02Å; N175-K247 WeakPolarHBondContact O-CD 3.37Å; N175-K247 WeakPolarHBondContact O-CE 3.4Å; N175-K247 WeakPolarHBondContact O-CG 3.38Å
176E95.9Very high96.2Very high65 Ų6534.5 Ų34.530%0.30417%0.173SC..SBendtrans-137.8157.8169.269.6-171.3-10800110.7P131 S162 Y180 K274P131-E176 HydrophobicContact CG-CG 4.49Å; P131-E176 WeakPolarHBondContact CG-OE2 3.34Å; S162-E176 VanDerWaalsContact CB-OE2 3.27Å; S162-E176 WeakPolarHBondContact CB-OE2 3.49Å; S162-E176 WeakPolarHBondContact OG-CG 3.47Å; S162-E176 PolarHBondContact OG-OE2 3.02Å; E176-Y180 VanDerWaalsContact CG-OH 3.24Å; E176-Y180 WeakPolarHBondContact CG-OH 3.38Å; E176-Y180 PolarHBondContact O-OH 2.82Å; E176-K274 HydrophobicContact CG-CD 4.39Å; E176-K274 WeakPolarHBondContact OE1-CD 3.42Å; E176-K274 WeakPolarHBondContact OE1-CE 3.27Å; E176-K274 IonicContact OE1-NZ 3.04Å; E176-K274 PolarHBondContact OE1-NZ 3.09Å
177S97.6Very high96.2Very high63 Ų6334 Ų3444%0.44117%0.171SC..  trans-82.6150.6172.4-56.50000110.4L245 K247 K274S177-L245 WeakPolarHBondContact CA-O 3.44Å; S177-K247 PolarHBondContact OG-N 2.97Å; S177-K274 PolarHBondContact O-NZ 3.41Å
178G97.5Very high96.3Very high10 Ų1028.7 Ų28.710%0.10315%0.145CC..EExtended strand (participates in β ladder)trans170.9174.5176.700000113.9Y180 Q244 L245G178-Y180 WeakPolarHBondContact O-CD2 3.24Å; G178-Q244 VanDerWaalsContact C-NE2 3.32Å; G178-Q244 PolarHBondContact O-NE2 2.89Å; G178-L245 PolarHBondContact N-O 3Å; G178-L245 PolarHBondContact O-N 3.4Å
179L98.4Very high96.5Very high79 Ų7927 Ų2741%0.41414%0.138SC..EExtended strand (participates in β ladder)trans-80.3124.5164.4-175.168.8000108.1I275L179-I275 HydrophobicContact CD2-CB 4.33Å; L179-I275 HydrophobicContact CD2-CD1 4.04Å; L179-I275 HydrophobicContact CD2-CG2 4.35Å; L179-I275 HydrophobicContact CG-CB 4.45Å; L179-I275 HydrophobicContact CG-CD1 4.06Å; L179-I275 PolarHBondContact O-N 3.46Å
180Y98.6Very high96.7Very high0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-119.4138177.6-72.9-100.3000109.7P131 V163 V174 E176 G178 G242 L243 L245 L272 Y273 K274P131-Y180 HydrophobicContact CB-CE1 4.14Å; V163-Y180 HydrophobicContact CG2-CE1 4.44Å; V174-Y180 HydrophobicContact CB-CE1 4.47Å; V174-Y180 HydrophobicContact CB-CE2 4.41Å; V174-Y180 HydrophobicContact CG1-CD1 4.28Å; V174-Y180 HydrophobicContact CG1-CE1 3.73Å; V174-Y180 HydrophobicContact CG1-CE2 4.2Å; E176-Y180 VanDerWaalsContact CG-OH 3.24Å; E176-Y180 WeakPolarHBondContact CG-OH 3.38Å; E176-Y180 PolarHBondContact O-OH 2.82Å; G178-Y180 WeakPolarHBondContact O-CD2 3.24Å; Y180-G242 CarbonylContact O-C 3.55Å; Y180-G242 WeakPolarHBondContact O-CA 3.22Å; Y180-L243 PolarHBondContact N-O 2.93Å; Y180-L243 PolarHBondContact O-N 2.95Å; Y180-L245 HydrophobicContact CD1-CD1 4.5Å; Y180-L245 HydrophobicContact CD2-CB 3.73Å; Y180-L245 HydrophobicContact CD2-CD1 3.79Å; Y180-L245 HydrophobicContact CD2-CG 3.9Å; Y180-L245 HydrophobicContact CE2-CB 4.05Å; Y180-L245 HydrophobicContact CE2-CD1 4.42Å; Y180-L245 HydrophobicContact CG-CD1 3.84Å; Y180-L245 HydrophobicContact CG-CG 4.33Å; Y180-L272 HydrophobicContact CD1-CD1 3.54Å; Y180-L272 HydrophobicContact CE1-CD1 3.8Å; Y180-Y273 CarbonylContact C-O 3.53Å; Y180-Y273 VanDerWaalsContact CA-O 3.25Å; Y180-Y273 WeakPolarHBondContact CA-O 3.36Å; Y180-Y273 VanDerWaalsContact CD1-C 3.49Å; Y180-K274 HydrophobicContact CD1-CB 3.91Å; Y180-K274 HydrophobicContact CE1-CB 3.63Å; Y180-K274 HydrophobicContact CE1-CG 4.38Å; Y180-K274 HydrophobicContact CE2-CD 4.45Å
181H98.6Very high96.5Very high44 Ų4433.3 Ų33.320%0.20416%0.164CC..EExtended strand (participates in β ladder)trans-77.4120.4156.5-167.972.7000107.5Y183 G241 L272 Y273 I275H181-Y183 AromaticContact CD2-CD1 3.88Å; H181-G241 WeakPolarHBondContact CA-O 3.31Å; H181-L272 CarbonylContact O-C 3.49Å; H181-L272 WeakPolarHBondContact O-CA 3.36Å; H181-L272 WeakPolarHBondContact O-CB 3.34Å; H181-Y273 HydrophobicContact CB-CD1 4.2Å; H181-Y273 HydrophobicContact CB-CD2 4.31Å; H181-Y273 HydrophobicContact CB-CE1 3.68Å; H181-Y273 HydrophobicContact CB-CE2 3.79Å; H181-Y273 HydrophobicContact CB-CG 4.49Å; H181-Y273 VanDerWaalsContact CB-CZ 3.44Å; H181-Y273 AromaticContact CD2-CE1 3.73Å; H181-Y273 AromaticContact CG-CE1 3.99Å; H181-Y273 AromaticContact CG-CZ 3.91Å; H181-Y273 PolarHBondContact N-O 2.94Å; H181-Y273 PolarHBondContact O-N 3.4Å; H181-I275 HydrophobicContact CB-CD1 4.1Å; H181-I275 HydrophobicContact CB-CG1 4.38Å
182V98.7Very high96.1Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-118.3131.6179.6-164.60000107.4M203 M217 G240 G241 L243 L245 V251 F270 L272V182-M203 HydrophobicContact CB-CE 4.27Å; V182-M203 HydrophobicContact CG1-CE 3.46Å; V182-M203 VanDerWaalsContact CG1-CE 3.46Å; V182-M217 WeakPolarHBondContact O-CE 3.38Å; V182-G240 WeakPolarHBondContact O-CA 3.45Å; V182-G241 PolarHBondContact N-O 2.87Å; V182-G241 PolarHBondContact O-N 2.87Å; V182-L243 HydrophobicContact CB-CD1 4.21Å; V182-L243 HydrophobicContact CG2-CB 4.25Å; V182-L243 HydrophobicContact CG2-CD1 4.1Å; V182-L245 HydrophobicContact CG2-CD1 4.18Å; V182-V251 HydrophobicContact CG1-CG1 4.02Å; V182-F270 HydrophobicContact CG1-CE2 4.19Å; V182-L272 HydrophobicContact CB-CB 4.27Å; V182-L272 HydrophobicContact CG1-CB 4.04Å; V182-L272 HydrophobicContact CG1-CD2 4.41Å; V182-L272 HydrophobicContact CG2-CB 4.17Å
183Y98.8Very high95.7Very high31 Ų3138.2 Ų38.212%0.12219%0.191CC..EExtended strand (participates in β ladder)trans-145.3153.4-173.464.9-83.6000113.4H134 H181 Y238 L239 F269 F270 G271 Y273H134-Y183 AromaticContact ND1-CE2 3.75Å; H134-Y183 AromaticContact ND1-CZ 3.77Å; H134-Y183 PolarHBondContact ND1-OH 3.28Å; H181-Y183 AromaticContact CD2-CD1 3.88Å; Y183-Y238 WeakPolarHBondContact CB-OH 3.25Å; Y183-L239 CarbonylContact C-O 3.58Å; Y183-L239 WeakPolarHBondContact CA-O 3.21Å; Y183-F269 HydrophobicContact CD2-CD2 4.13Å; Y183-F269 HydrophobicContact CD2-CE2 4.01Å; Y183-F269 AromaticContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CE2 4.08Å; Y183-F270 WeakPolarHBondContact O-CD2 3.5Å; Y183-G271 WeakPolarHBondContact CD1-O 3.28Å; Y183-G271 PolarHBondContact N-O 3.1Å; Y183-G271 PolarHBondContact O-N 3.39Å; Y183-G271 VanDerWaalsContact O-O 3.11Å; Y183-Y273 HydrophobicContact CE1-CD1 4.32Å
184S98.3Very high95.2Very high0 Ų041 Ų410%020%0.203CC..EExtended strand (participates in β ladder)trans-152.8145.9170.8-170.90000111.8Y238 L239 F269S184-Y238 CarbonylContact O-C 3.5Å; S184-Y238 WeakPolarHBondContact O-CA 3.46Å; S184-L239 PolarHBondContact N-O 2.9Å; S184-L239 PolarHBondContact O-N 3.21Å; S184-F269 CarbonylContact C-O 3.54Å; S184-F269 VanDerWaalsContact CA-O 3.24Å; S184-F269 WeakPolarHBondContact CA-O 3.49Å; S184-F269 PolarHBondContact OG-O 2.94Å
185R97.7Very high94.8Very high66 Ų6645.3 Ų45.325%0.24923%0.231CC..EExtended strand (participates in β ladder)trans-118.9137.2167.3-171.3-175.1-178-147.21.6109.1E236 S237 Y238 N268 F269R185-E236 IonicContact CZ-OE2 2.79Å; R185-E236 VanDerWaalsContact CZ-OE2 3.25Å; R185-E236 IonicContact NE-OE2 3.49Å; R185-E236 PolarHBondContact NE-OE2 3.05Å; R185-E236 IonicContact NH2-OE2 2.7Å; R185-E236 PolarHBondContact NH2-OE2 2.88Å; R185-S237 WeakPolarHBondContact CA-O 3.28Å; R185-Y238 HydrophobicContact CB-CD2 4.07Å; R185-N268 WeakPolarHBondContact O-CA 3.26Å; R185-F269 HydrophobicContact CB-CD1 4.11Å; R185-F269 HydrophobicContact CB-CD2 3.98Å; R185-F269 HydrophobicContact CB-CE1 3.75Å; R185-F269 HydrophobicContact CB-CE2 3.59Å; R185-F269 HydrophobicContact CB-CG 4.23Å; R185-F269 HydrophobicContact CB-CZ 3.47Å; R185-F269 VanDerWaalsContact CB-CZ 3.47Å; R185-F269 HydrophobicContact CG-CE1 4.3Å; R185-F269 HydrophobicContact CG-CZ 4.24Å; R185-F269 PolarHBondContact N-O 3.36Å; R185-F269 PolarHBondContact O-N 2.86Å
186V96.3Very high94.5Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-130.4141.6168.4-61.80000111.4L148 W150 L188 F199 H201 E236 S237 V255 L261 N268L148-V186 HydrophobicContact CD1-CG1 3.98Å; W150-V186 HydrophobicContact CH2-CG1 4.48Å; V186-L188 HydrophobicContact CB-CD1 4.16Å; V186-L188 HydrophobicContact CG2-CD1 4Å; V186-F199 HydrophobicContact CG2-CE2 4.15Å; V186-H201 HydrophobicContact CG2-CB 3.91Å; V186-E236 CarbonylContact O-C 3.57Å; V186-E236 VanDerWaalsContact O-CA 3.24Å; V186-E236 WeakPolarHBondContact O-CA 3.39Å; V186-E236 WeakPolarHBondContact O-CB 3.49Å; V186-S237 PolarHBondContact N-O 2.83Å; V186-S237 PolarHBondContact O-N 2.7Å; V186-V255 HydrophobicContact CB-CG2 4.21Å; V186-V255 HydrophobicContact CG1-CG2 3.89Å; V186-V255 HydrophobicContact CG2-CG2 3.97Å; V186-L261 HydrophobicContact CB-CD2 4.15Å; V186-L261 HydrophobicContact CG1-CD2 4.46Å; V186-N268 WeakPolarHBondContact CA-OD1 3.34Å
187E95.5Very high94.4Very high36 Ų3646.2 Ų46.217%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-124121.4179.4-179.4-178.479.300108.7T234 S262 N268E187-T234 HydrophobicContact CG-CG2 3.52Å; E187-S262 WeakPolarHBondContact O-CB 3.43Å; E187-S262 PolarHBondContact O-N 2.74Å; E187-S262 WeakPolarHBondContact OE1-CB 3.49Å; E187-S262 PolarHBondContact OE1-OG 2.93Å; E187-N268 PolarHBondContact N-OD1 2.94Å
188L93.8Very high94.3Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-117.1135.1-178.7-75.876.3000111.1V186 F190 F199 T234 A235 V255 H257 Y260 L261V186-L188 HydrophobicContact CB-CD1 4.16Å; V186-L188 HydrophobicContact CG2-CD1 4Å; L188-F190 HydrophobicContact CB-CD2 4.2Å; L188-F190 HydrophobicContact CB-CE2 3.68Å; L188-F190 HydrophobicContact CB-CZ 4.47Å; L188-F190 HydrophobicContact CD2-CE2 4.06Å; L188-F190 HydrophobicContact CD2-CZ 4.05Å; L188-F199 HydrophobicContact CD1-CD2 3.99Å; L188-F199 HydrophobicContact CD1-CE2 3.81Å; L188-F199 HydrophobicContact CD1-CG 4.49Å; L188-F199 HydrophobicContact CD1-CZ 4.17Å; L188-F199 HydrophobicContact CD2-CB 3.91Å; L188-F199 HydrophobicContact CD2-CD1 4.16Å; L188-F199 HydrophobicContact CD2-CD2 4.01Å; L188-F199 HydrophobicContact CD2-CG 3.79Å; L188-T234 CarbonylContact O-C 3.47Å; L188-T234 WeakPolarHBondContact O-CA 3.28Å; L188-A235 PolarHBondContact N-O 2.89Å; L188-A235 PolarHBondContact O-N 2.81Å; L188-V255 HydrophobicContact CD1-CG1 4.22Å; L188-V255 HydrophobicContact CD2-CG1 3.95Å; L188-H257 HydrophobicContact CD2-CB 4.01Å; L188-Y260 CarbonylContact C-O 3.47Å; L188-Y260 VanDerWaalsContact CA-O 3.27Å; L188-Y260 WeakPolarHBondContact CA-O 3.14Å; L188-L261 HydrophobicContact CD1-CD2 3.78Å; L188-L261 HydrophobicContact CG-CD2 4.14Å
189I92.8Very high94.3Very high67 Ų6748 Ų4834%0.34424%0.238SC..EExtended strand (participates in β ladder)trans-108.296.6179-54.5176.3000109K191 Y260I189-K191 PolarHBondContact O-N 3.37Å; I189-Y260 PolarHBondContact N-O 2.96Å
190F92.1Very high94.2Very high5 Ų546 Ų462%0.02223%0.228CC..EExtended strand (participates in β ladder)trans-78.9107.1176-70.7-98.4000109.4L188 C193 F199 F224 P232 W233 A235 Y260L188-F190 HydrophobicContact CB-CD2 4.2Å; L188-F190 HydrophobicContact CB-CE2 3.68Å; L188-F190 HydrophobicContact CB-CZ 4.47Å; L188-F190 HydrophobicContact CD2-CE2 4.06Å; L188-F190 HydrophobicContact CD2-CZ 4.05Å; F190-C193 HydrophobicContact CB-CB 4.48Å; F190-F199 AromaticContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CE1 4.26Å; F190-F199 HydrophobicContact CZ-CB 4.26Å; F190-F199 AromaticContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CG 4.43Å; F190-F224 AromaticContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CZ 4.03Å; F190-F224 HydrophobicContact CE1-CZ 4.23Å; F190-F224 AromaticContact CE2-CE2 3.87Å; F190-F224 HydrophobicContact CE2-CE2 3.87Å; F190-F224 AromaticContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CG-CE2 4.2Å; F190-F224 HydrophobicContact CZ-CE2 4.3Å; F190-F224 AromaticContact CZ-CZ 3.71Å; F190-F224 HydrophobicContact CZ-CZ 3.71Å; F190-P232 CarbonylContact O-C 3.58Å; F190-P232 VanDerWaalsContact O-CA 3.31Å; F190-P232 WeakPolarHBondContact O-CA 3.26Å; F190-W233 PolarHBondContact N-O 3.19Å; F190-W233 PolarHBondContact O-N 2.89Å; F190-A235 HydrophobicContact CE2-CB 4.4Å; F190-Y260 AromaticContact CD1-CD2 3.66Å; F190-Y260 HydrophobicContact CD1-CD2 3.66Å; F190-Y260 AromaticContact CD1-CE2 3.77Å; F190-Y260 HydrophobicContact CD1-CE2 3.77Å; F190-Y260 AromaticContact CE1-CD2 3.57Å; F190-Y260 HydrophobicContact CE1-CD2 3.57Å; F190-Y260 AromaticContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CG-CD2 4.28Å; F190-Y260 HydrophobicContact CZ-CD2 4.13Å
191K89.3Confident94.2Very high160 Ų16046 Ų4670%0.69623%0.228SC*.SBendtrans-61.7-44.5179.6-66-179-179.1177.70112.4I189 P232I189-K191 PolarHBondContact O-N 3.37Å; K191-P232 WeakPolarHBondContact O-CA 3.4Å
192N87.1Confident94.2Very high100 Ų10044.8 Ų44.854%0.53522%0.223SC..SBendtrans-11593.3173.6-64.4-2.5000108.3
193C89.5Confident94.2Very high3 Ų344.8 Ų44.82%0.0222%0.223CC..  trans-78.5129.2176.3-142.20000110.1F190 C225 W233F190-C193 HydrophobicContact CB-CB 4.48Å; C193-C225 VanDerWaalsContact C-SG 3.59Å; C193-C225 VanDerWaalsContact CA-SG 3.52Å; C193-C225 HydrophobicContact CB-CB 3.75Å; C193-C225 WeakPolarHBondContact CB-SG 3.33Å; C193-C225 VanDerWaalsContact SG-CA 3.6Å; C193-C225 WeakPolarHBondContact SG-CB 3.45Å; C193-C225 CovalentContact SG-SG 2.02Å; C193-C225 PolarHBondContact SG-SG 2.95Å; C193-W233 HydrophobicContact CB-CB 3.74Å; C193-W233 WeakPolarHBondContact SG-CB 3.45Å; C193-W233 VanDerWaalsContact SG-CG 3.59Å
194H88.9Confident94.1Very high79 Ų7943.7 Ų43.737%0.36622%0.219SC..  trans-121.7153.1173.7-61.9-70.1000110.1T196 S197 C225 N230H194-T196 PolarHBondContact O-N 3.44Å; H194-S197 PolarHBondContact N-OG 3.43Å; H194-S197 VanDerWaalsContact O-CB 3.23Å; H194-S197 WeakPolarHBondContact O-CB 3.39Å; H194-S197 PolarHBondContact O-N 3.48Å; H194-S197 PolarHBondContact O-OG 2.85Å; H194-C225 PolarHBondContact N-SG 3.15Å; H194-C225 VanDerWaalsContact N-SG 3.35Å; H194-C225 WeakPolarHBondContact O-CB 3.23Å; H194-C225 PolarHBondContact O-SG 2.88Å; H194-N230 PolarHBondContact CE1-OD1 3.44Å
195P89.2Confident94.1Very high92 Ų9243.8 Ų43.860%0.59722%0.22SC*.THydrogen-bonded Turntrans-55.7-22.5177.4-27.836.4000114.7
196T90.9Very high94.1Very high119 Ų11945.4 Ų45.473%0.7323%0.226SC*.THydrogen-bonded Turntrans-90.7-0.8174.951.40000114.4H194H194-T196 PolarHBondContact O-N 3.44Å
197S93Very high94.1Very high17 Ų1747.3 Ų47.312%0.11923%0.233CC..  trans-66.5137.3175.6-640000110.9H194H194-S197 PolarHBondContact N-OG 3.43Å; H194-S197 VanDerWaalsContact O-CB 3.23Å; H194-S197 WeakPolarHBondContact O-CB 3.39Å; H194-S197 PolarHBondContact O-N 3.48Å; H194-S197 PolarHBondContact O-OG 2.85Å
198W95.4Very high93.8Very high110 Ų11051.9 Ų51.942%0.41726%0.264SS..EExtended strand (participates in β ladder)trans-148.4164.6-178.565.4-85.1000110.9N200 H220 R221 H257W198-N200 HydrophobicContact CZ3-CB 4.29Å; W198-N200 VanDerWaalsContact CZ3-OD1 3.26Å; W198-N200 WeakPolarHBondContact CZ3-OD1 3.46Å; W198-H220 AromaticContact CE3-CE1 3.88Å; W198-H220 AromaticContact CE3-ND1 3.93Å; W198-R221 CarbonylContact C-O 3.42Å; W198-R221 WeakPolarHBondContact CA-O 3.32Å; W198-R221 WeakPolarHBondContact CB-O 3.44Å; W198-H257 PolarHBondContact O-CE1 3.31Å; W198-H257 PolarHBondContact O-ND1 2.92Å
199F96.6Very high93.6Very high0 Ų056 Ų560%031%0.305CS..EExtended strand (participates in β ladder)trans-149.4145.4159.766.7-81.2000111.2V186 L188 F190 H201 R221 F224 A235 S256V186-F199 HydrophobicContact CG2-CE2 4.15Å; L188-F199 HydrophobicContact CD1-CD2 3.99Å; L188-F199 HydrophobicContact CD1-CE2 3.81Å; L188-F199 HydrophobicContact CD1-CG 4.49Å; L188-F199 HydrophobicContact CD1-CZ 4.17Å; L188-F199 HydrophobicContact CD2-CB 3.91Å; L188-F199 HydrophobicContact CD2-CD1 4.16Å; L188-F199 HydrophobicContact CD2-CD2 4.01Å; L188-F199 HydrophobicContact CD2-CG 3.79Å; F190-F199 AromaticContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CE1 4.26Å; F190-F199 HydrophobicContact CZ-CB 4.26Å; F190-F199 AromaticContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CG 4.43Å; F199-H201 HydrophobicContact CD2-CB 4.44Å; F199-H201 HydrophobicContact CE2-CB 4.35Å; F199-R221 HydrophobicContact CD1-CB 3.87Å; F199-R221 HydrophobicContact CE1-CB 3.56Å; F199-R221 HydrophobicContact CE1-CG 4.06Å; F199-R221 HydrophobicContact CE2-CB 4.31Å; F199-R221 HydrophobicContact CE2-CG 4.08Å; F199-R221 HydrophobicContact CG-CB 4.37Å; F199-R221 HydrophobicContact CZ-CB 3.81Å; F199-R221 HydrophobicContact CZ-CG 3.76Å; F199-R221 PolarHBondContact N-O 2.92Å; F199-R221 PolarHBondContact O-N 3.2Å; F199-F224 AromaticContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CZ 4.11Å; F199-F224 HydrophobicContact CE1-CE1 4.02Å; F199-F224 HydrophobicContact CE1-CZ 4.4Å; F199-A235 HydrophobicContact CE1-CB 3.81Å; F199-S256 VanDerWaalsContact CA-OG 3.23Å; F199-S256 WeakPolarHBondContact CA-OG 3.25Å; F199-S256 VanDerWaalsContact CB-OG 3.31Å; F199-S256 WeakPolarHBondContact CB-OG 3.32Å
200N97.7Very high93.6Very high37 Ų3757.8 Ų57.820%0.19831%0.312CS..EExtended strand (participates in β ladder)trans-93.4139.9160.6-65.921.5000109.5W198 V202 E218 A219 H220 S256W198-N200 HydrophobicContact CZ3-CB 4.29Å; W198-N200 VanDerWaalsContact CZ3-OD1 3.26Å; W198-N200 WeakPolarHBondContact CZ3-OD1 3.46Å; N200-V202 HydrophobicContact CB-CG2 4.17Å; N200-E218 PolarHBondContact ND2-OE1 2.94Å; N200-A219 WeakPolarHBondContact CA-O 3.38Å; N200-H220 PolarHBondContact OD1-ND1 2.83Å; N200-S256 PolarHBondContact N-OG 2.88Å; N200-S256 PolarHBondContact O-N 3.22Å; N200-S256 PolarHBondContact O-OG 3.42Å
201H98Very high93.5Very high0 Ų063.5 Ų63.50%035%0.353CS..EExtended strand (participates in β ladder)trans-118124.9166.5168-147.3000106.9V186 F199 E218 A219 S237 V255V186-H201 HydrophobicContact CG2-CB 3.91Å; F199-H201 HydrophobicContact CD2-CB 4.44Å; F199-H201 HydrophobicContact CE2-CB 4.35Å; H201-E218 WeakPolarHBondContact O-CA 3.45Å; H201-A219 PolarHBondContact N-O 3.13Å; H201-A219 PolarHBondContact O-N 3.43Å; H201-S237 PolarHBondContact ND1-OG 2.92Å; H201-V255 HydrophobicContact CB-CG2 4.45Å
202V98.3Very high93.7Very high18 Ų1863.9 Ų63.911%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-136.1130-168.8-171.20000110.5N200 T215 E218 V253 N254N200-V202 HydrophobicContact CB-CG2 4.17Å; V202-T215 HydrophobicContact CG1-CG2 3.83Å; V202-E218 HydrophobicContact CG1-CB 4.36Å; V202-E218 HydrophobicContact CG2-CB 4.35Å; V202-E218 HydrophobicContact CG2-CG 3.91Å; V202-E218 VanDerWaalsContact CG2-OE1 3.32Å; V202-E218 WeakPolarHBondContact CG2-OE1 3.21Å; V202-V253 CarbonylContact O-C 3.56Å; V202-V253 WeakPolarHBondContact O-CA 3.47Å; V202-N254 HydrophobicContact CB-CB 4.18Å; V202-N254 PolarHBondContact N-O 3.28Å; V202-N254 PolarHBondContact O-N 3.22Å
203M98.2Very high94Very high0 Ų062.4 Ų62.40%035%0.35CS..EExtended strand (participates in β ladder)trans-106.8131.5171-62.6175.668.600109V182 L216 M217 L239 Y252 V253 F270V182-M203 HydrophobicContact CB-CE 4.27Å; V182-M203 HydrophobicContact CG1-CE 3.46Å; V182-M203 VanDerWaalsContact CG1-CE 3.46Å; M203-L216 WeakPolarHBondContact O-CB 3.48Å; M203-L216 PolarHBondContact O-N 2.58Å; M203-M217 HydrophobicContact CB-CB 4.43Å; M203-M217 HydrophobicContact CE-CE 3.88Å; M203-M217 PolarHBondContact N-O 2.86Å; M203-M217 PolarHBondContact O-N 2.94Å; M203-M217 HydrophobicContact SD-CE 3.53Å; M203-M217 VanDerWaalsContact SD-CE 3.53Å; M203-L239 HydrophobicContact CG-CB 4.4Å; M203-L239 HydrophobicContact CG-CD1 3.92Å; M203-L239 HydrophobicContact SD-CB 3.49Å; M203-L239 WeakPolarHBondContact SD-CB 3.24Å; M203-L239 HydrophobicContact SD-CD1 4.11Å; M203-L239 HydrophobicContact SD-CG 4.46Å; M203-Y252 WeakPolarHBondContact CA-O 3.09Å; M203-V253 HydrophobicContact CG-CG2 4.31Å; M203-F270 HydrophobicContact CE-CD2 4.08Å; M203-F270 HydrophobicContact CE-CE2 3.87Å
204F98.1Very high94.4Very high9 Ų966.2 Ų66.24%0.03937%0.37CS..EExtended strand (participates in β ladder)trans-145158.2-174.468-86.7000112.3T147 R206 P213 L214 V251 Y252 N254T147-F204 HydrophobicContact CG2-CZ 4.22Å; F204-R206 HydrophobicContact CD2-CG 4.45Å; F204-R206 HydrophobicContact CE2-CG 4.23Å; F204-P213 HydrophobicContact CD2-CB 3.77Å; F204-P213 HydrophobicContact CE2-CB 4.3Å; F204-L214 CarbonylContact C-O 3.58Å; F204-L214 VanDerWaalsContact CA-O 3.3Å; F204-L214 WeakPolarHBondContact CA-O 3.4Å; F204-L214 WeakPolarHBondContact CB-O 3.49Å; F204-V251 WeakPolarHBondContact O-CA 3.34Å; F204-Y252 AromaticContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CG 4.38Å; F204-Y252 VanDerWaalsContact CE1-CB 3.49Å; F204-Y252 HydrophobicContact CE1-CG 4.39Å; F204-Y252 AromaticContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CE2 4.28Å; F204-Y252 AromaticContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CZ-CD1 4.37Å; F204-Y252 HydrophobicContact CZ-CD2 4.06Å; F204-Y252 AromaticContact CZ-CG 3.7Å; F204-Y252 HydrophobicContact CZ-CG 3.7Å; F204-Y252 PolarHBondContact N-O 2.87Å; F204-Y252 PolarHBondContact O-N 3.4Å; F204-N254 HydrophobicContact CD1-CB 4.35Å; F204-N254 HydrophobicContact CE1-CB 3.93Å; F204-N254 WeakPolarHBondContact CE1-OD1 3.3Å
205V97.9Very high94.8Very high2 Ų266.1 Ų66.11%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-114.8143.4176.765.50000111.2P213 L214 L216 D249 R250 V251V205-P213 WeakPolarHBondContact O-CA 3.24Å; V205-L214 HydrophobicContact CG1-CB 3.81Å; V205-L214 HydrophobicContact CG1-CD2 4.16Å; V205-L214 HydrophobicContact CG1-CG 4.26Å; V205-L214 PolarHBondContact N-O 3.32Å; V205-L214 PolarHBondContact O-N 2.84Å; V205-L216 HydrophobicContact CB-CD1 4.17Å; V205-L216 HydrophobicContact CB-CD2 4.3Å; V205-L216 HydrophobicContact CB-CG 4.31Å; V205-L216 HydrophobicContact CG1-CD2 3.84Å; V205-L216 HydrophobicContact CG1-CG 4.24Å; V205-D249 HydrophobicContact CG2-CB 3.58Å; V205-R250 CarbonylContact C-O 3.56Å; V205-R250 VanDerWaalsContact CA-O 3.3Å; V205-R250 WeakPolarHBondContact CA-O 3.23Å; V205-R250 WeakPolarHBondContact CG2-O 3.06Å; V205-V251 HydrophobicContact CG2-CG2 4.36Å
206R97.4Very high95.2Very high99 Ų9963.4 Ų63.437%0.37436%0.355SS..EExtended strand (participates in β ladder)trans-111.5140.1162.6-60.6-178.3-179.2141.8-1.4109.6F204 P213 R250 Y252F204-R206 HydrophobicContact CD2-CG 4.45Å; F204-R206 HydrophobicContact CE2-CG 4.23Å; R206-P213 HydrophobicContact CG-CB 4.11Å; R206-P213 HydrophobicContact CG-CG 4.18Å; R206-R250 PolarHBondContact N-O 2.94Å; R206-R250 PolarHBondContact O-N 3.34Å; R206-R250 VanDerWaalsContact O-N 3.1Å; R206-Y252 HydrophobicContact CB-CE2 3.83Å; R206-Y252 HydrophobicContact CG-CD2 4.18Å; R206-Y252 HydrophobicContact CG-CE2 3.57Å; R206-Y252 PolarHBondContact NH1-OH 3.5Å
207R95.5Very high95.6Very high40 Ų4059.2 Ų59.215%0.15133%0.328CS..  trans-116.9141179.4-85.8164.5-174.9147.37.5110.5G209 Q210 D249R207-G209 PolarHBondContact O-N 2.9Å; R207-Q210 HydrophobicContact CB-CB 3.97Å; R207-Q210 HydrophobicContact CB-CG 3.87Å; R207-Q210 PolarHBondContact O-N 2.86Å; R207-D249 WeakPolarHBondContact CD-OD1 3.29Å; R207-D249 WeakPolarHBondContact CG-OD1 3.1Å; R207-D249 IonicContact CZ-OD1 3.68Å; R207-D249 IonicContact CZ-OD2 3.65Å; R207-D249 IonicContact NE-OD1 3.25Å; R207-D249 PolarHBondContact NE-OD1 2.02Å; R207-D249 IonicContact NE-OD2 2.76Å; R207-D249 PolarHBondContact NE-OD2 2.91Å; R207-D249 IonicContact NH2-OD1 2.94Å; R207-D249 IonicContact NH2-OD2 3.37Å; R207-D249 PolarHBondContact NH2-OD2 3.38Å
208V90.9Very high95.8Very high133 Ų13363.3 Ų63.381%0.80635%0.345SS*.THydrogen-bonded Turntrans-58.5129.1171.2-177.20000108.4Q210V208-Q210 VanDerWaalsContact C-N 3.34Å; V208-Q210 PolarHBondContact O-N 2.93Å
209G89.8Confident95.9Very high85 Ų8559 Ų5988%0.87633%0.333SS*.THydrogen-bonded Turntrans82.2-4.1-175.700000116.1R207R207-G209 PolarHBondContact O-N 2.9Å
210Q92Very high96Very high106 Ų10664 Ų6450%0.49536%0.356SS..  trans-106.6118.1174.6-62.9-170.5-11.700110.9R207 V208R207-Q210 HydrophobicContact CB-CB 3.97Å; R207-Q210 HydrophobicContact CB-CG 3.87Å; R207-Q210 PolarHBondContact O-N 2.86Å; V208-Q210 VanDerWaalsContact C-N 3.34Å; V208-Q210 PolarHBondContact O-N 2.93Å
211S89Confident95.9Very high124 Ų12467.8 Ų67.887%0.86737%0.368SS*.SBendtrans-76.7-23.4-17756.30000114.3
212K93.4Very high95.7Very high169 Ų16970.9 Ų70.974%0.73539%0.389SS*.SBendtrans-103.3128.8175.8-66.9-175178.5-1780109.8
213P95.1Very high95.3Very high68 Ų6872.9 Ų72.944%0.44241%0.413SS..  trans-62.8152.7167.6-1730.2000111.4F204 V205 R206F204-P213 HydrophobicContact CD2-CB 3.77Å; F204-P213 HydrophobicContact CE2-CB 4.3Å; V205-P213 WeakPolarHBondContact O-CA 3.24Å; R206-P213 HydrophobicContact CG-CB 4.11Å; R206-P213 HydrophobicContact CG-CG 4.18Å
214L96.6Very high94.9Very high83 Ų8374.4 Ų74.444%0.43542%0.42SS..EExtended strand (participates in β ladder)trans-108.3119.7174.817265.6000109.4F204 V205 L216F204-L214 CarbonylContact C-O 3.58Å; F204-L214 VanDerWaalsContact CA-O 3.3Å; F204-L214 WeakPolarHBondContact CA-O 3.4Å; F204-L214 WeakPolarHBondContact CB-O 3.49Å; V205-L214 HydrophobicContact CG1-CB 3.81Å; V205-L214 HydrophobicContact CG1-CD2 4.16Å; V205-L214 HydrophobicContact CG1-CG 4.26Å; V205-L214 PolarHBondContact N-O 3.32Å; V205-L214 PolarHBondContact O-N 2.84Å; L214-L216 PolarHBondContact O-N 2.91Å
215T97.8Very high94.3Very high77 Ų7774.6 Ų74.647%0.47242%0.422SS..EExtended strand (participates in β ladder)trans-63.6131.7170.2-57.30000109.8V202 E218V202-T215 HydrophobicContact CG1-CG2 3.83Å; T215-E218 HydrophobicContact CG2-CB 4.28Å
216L97.9Very high93.3Very high35 Ų3579 Ų7918%0.18345%0.449CS..EExtended strand (participates in β ladder)trans-97.6-45.7175.5-63175.5000111M203 V205 L214 L243 V251M203-L216 WeakPolarHBondContact O-CB 3.48Å; M203-L216 PolarHBondContact O-N 2.58Å; V205-L216 HydrophobicContact CB-CD1 4.17Å; V205-L216 HydrophobicContact CB-CD2 4.3Å; V205-L216 HydrophobicContact CB-CG 4.31Å; V205-L216 HydrophobicContact CG1-CD2 3.84Å; V205-L216 HydrophobicContact CG1-CG 4.24Å; L214-L216 PolarHBondContact O-N 2.91Å; L216-L243 HydrophobicContact CB-CD1 3.82Å; L216-L243 HydrophobicContact CD1-CD1 4.05Å; L216-L243 HydrophobicContact CD2-CD1 4.33Å; L216-L243 HydrophobicContact CG-CD1 4.29Å; L216-V251 HydrophobicContact CD1-CG1 3.8Å; L216-V251 HydrophobicContact CD1-CG2 4.45Å
217M98.3Very high91.9Very high32 Ų3283.1 Ų83.116%0.15847%0.473CS..EExtended strand (participates in β ladder)trans-150.8147.4-180-66.3-176.1-80.900109.7V182 M203 L239 G240 L243V182-M217 WeakPolarHBondContact O-CE 3.38Å; M203-M217 HydrophobicContact CB-CB 4.43Å; M203-M217 HydrophobicContact CE-CE 3.88Å; M203-M217 PolarHBondContact N-O 2.86Å; M203-M217 PolarHBondContact O-N 2.94Å; M203-M217 HydrophobicContact SD-CE 3.53Å; M203-M217 VanDerWaalsContact SD-CE 3.53Å; M217-L239 HydrophobicContact CB-CB 4.49Å; M217-L239 HydrophobicContact CB-CD1 4.02Å; M217-L239 HydrophobicContact CB-CD2 4.12Å; M217-L239 HydrophobicContact CB-CG 4.45Å; M217-L239 HydrophobicContact CE-CB 4.38Å; M217-L239 HydrophobicContact SD-CB 4.34Å; M217-G240 VanDerWaalsContact SD-C 3.59Å; M217-L243 HydrophobicContact CE-CD1 4.03Å
218E98.2Very high90.5Very high103 Ų10388.7 Ų88.748%0.48150%0.498SS..EExtended strand (participates in β ladder)trans-143.5139.4175.6172.7155.9-145.400110.3N200 H201 V202 T215N200-E218 PolarHBondContact ND2-OE1 2.94Å; H201-E218 WeakPolarHBondContact O-CA 3.45Å; V202-E218 HydrophobicContact CG1-CB 4.36Å; V202-E218 HydrophobicContact CG2-CB 4.35Å; V202-E218 HydrophobicContact CG2-CG 3.91Å; V202-E218 VanDerWaalsContact CG2-OE1 3.32Å; V202-E218 WeakPolarHBondContact CG2-OE1 3.21Å; T215-E218 HydrophobicContact CG2-CB 4.28Å
219A98.2Very high89.3Confident20 Ų2086.8 Ų86.817%0.16549%0.488CS..EExtended strand (participates in β ladder)trans-126.2118.5169.500000109.8N200 H201 S237 L239N200-A219 WeakPolarHBondContact CA-O 3.38Å; H201-A219 PolarHBondContact N-O 3.13Å; H201-A219 PolarHBondContact O-N 3.43Å; A219-S237 WeakPolarHBondContact CB-OG 3.33Å; A219-L239 HydrophobicContact CB-CD2 3.82Å; A219-L239 HydrophobicContact CB-CG 4.29Å
220H97.8Very high88.3Confident103 Ų10387.4 Ų87.448%0.47747%0.472SS..EExtended strand (participates in β ladder)trans-86.2132.5163.5179.177000109.4W198 N200 S222W198-H220 AromaticContact CE3-CE1 3.88Å; W198-H220 AromaticContact CE3-ND1 3.93Å; N200-H220 PolarHBondContact OD1-ND1 2.83Å; H220-S222 PolarHBondContact CD2-OG 2.79Å; H220-S222 WeakPolarHBondContact NE2-CB 3.31Å; H220-S222 PolarHBondContact NE2-OG 2.86Å
221R96Very high87.6Confident117 Ų11784.2 Ų84.244%0.44246%0.461SS..EExtended strand (participates in β ladder)trans-125.6127.4177-61.1-72.6-89.8163.7-5.9108.3W198 F199 F224 E236W198-R221 CarbonylContact C-O 3.42Å; W198-R221 WeakPolarHBondContact CA-O 3.32Å; W198-R221 WeakPolarHBondContact CB-O 3.44Å; F199-R221 HydrophobicContact CD1-CB 3.87Å; F199-R221 HydrophobicContact CE1-CB 3.56Å; F199-R221 HydrophobicContact CE1-CG 4.06Å; F199-R221 HydrophobicContact CE2-CB 4.31Å; F199-R221 HydrophobicContact CE2-CG 4.08Å; F199-R221 HydrophobicContact CG-CB 4.37Å; F199-R221 HydrophobicContact CZ-CB 3.81Å; F199-R221 HydrophobicContact CZ-CG 3.76Å; F199-R221 PolarHBondContact N-O 2.92Å; F199-R221 PolarHBondContact O-N 3.2Å; R221-F224 HydrophobicContact CB-CD1 4.42Å; R221-F224 HydrophobicContact CB-CE1 4.31Å; R221-E236 VanDerWaalsContact CZ-O 3.31Å; R221-E236 PolarHBondContact NE-O 2.92Å; R221-E236 PolarHBondContact NH2-O 3.13Å
222S94.1Very high87.4Confident65 Ų6582.9 Ų82.946%0.45545%0.45SS..EExtended strand (participates in β ladder)trans-156.2172.1179.750.50000109.7H220 F224H220-S222 PolarHBondContact CD2-OG 2.79Å; H220-S222 WeakPolarHBondContact NE2-CB 3.31Å; H220-S222 PolarHBondContact NE2-OG 2.86Å; S222-F224 PolarHBondContact O-N 2.84Å; S222-F224 VanDerWaalsContact O-N 3.12Å
223G89.8Confident87.3Confident60 Ų6078.9 Ų78.962%0.61943%0.43SS*.  trans68.19.617800000115.4
224F88.9Confident87.2Confident33 Ų3379.3 Ų79.315%0.14543%0.431CS..  trans-78-20.7-178.848.3-102.9000113.8F190 F199 R221 S222 V226 W233 A235F190-F224 AromaticContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CZ 4.03Å; F190-F224 HydrophobicContact CE1-CZ 4.23Å; F190-F224 AromaticContact CE2-CE2 3.87Å; F190-F224 HydrophobicContact CE2-CE2 3.87Å; F190-F224 AromaticContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CG-CE2 4.2Å; F190-F224 HydrophobicContact CZ-CE2 4.3Å; F190-F224 AromaticContact CZ-CZ 3.71Å; F190-F224 HydrophobicContact CZ-CZ 3.71Å; F199-F224 AromaticContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CZ 4.11Å; F199-F224 HydrophobicContact CE1-CE1 4.02Å; F199-F224 HydrophobicContact CE1-CZ 4.4Å; R221-F224 HydrophobicContact CB-CD1 4.42Å; R221-F224 HydrophobicContact CB-CE1 4.31Å; S222-F224 PolarHBondContact O-N 2.84Å; S222-F224 VanDerWaalsContact O-N 3.12Å; F224-V226 PolarHBondContact O-N 2.86Å; F224-W233 AromaticContact CD2-CD1 3.61Å; F224-W233 HydrophobicContact CD2-CG 4.46Å; F224-W233 AromaticContact CD2-NE1 3.83Å; F224-W233 WeakPolarHBondContact O-CZ2 3.23Å; F224-A235 HydrophobicContact CD1-CB 4.13Å; F224-A235 HydrophobicContact CD2-CB 3.81Å; F224-A235 HydrophobicContact CE1-CB 4.28Å; F224-A235 HydrophobicContact CE2-CB 3.97Å; F224-A235 HydrophobicContact CG-CB 3.9Å; F224-A235 HydrophobicContact CZ-CB 4.21Å
225C86.7Confident87Confident12 Ų1275.7 Ų75.78%0.08141%0.414CS..  trans-74.8110.7177.4-52.20000111.3C193 H194C193-C225 VanDerWaalsContact C-SG 3.59Å; C193-C225 VanDerWaalsContact CA-SG 3.52Å; C193-C225 HydrophobicContact CB-CB 3.75Å; C193-C225 WeakPolarHBondContact CB-SG 3.33Å; C193-C225 VanDerWaalsContact SG-CA 3.6Å; C193-C225 WeakPolarHBondContact SG-CB 3.45Å; C193-C225 CovalentContact SG-SG 2.02Å; C193-C225 PolarHBondContact SG-SG 2.95Å; H194-C225 PolarHBondContact N-SG 3.15Å; H194-C225 VanDerWaalsContact N-SG 3.35Å; H194-C225 WeakPolarHBondContact O-CB 3.23Å; H194-C225 PolarHBondContact O-SG 2.88Å
226V76.6Confident86.9Confident96 Ų9676.1 Ų76.158%0.58241%0.41SS*.  trans-63.4155.6168.6179.70000110F224 K228 W233F224-V226 PolarHBondContact O-N 2.86Å; V226-K228 PolarHBondContact O-N 2.71Å; V226-W233 HydrophobicContact CB-CH2 4.5Å; V226-W233 HydrophobicContact CB-CZ3 4.16Å; V226-W233 HydrophobicContact CG2-CH2 3.64Å; V226-W233 HydrophobicContact CG2-CZ3 3.78Å
227Q67.3Low86.9Confident184 Ų18474.7 Ų74.786%0.8640%0.403SS*.SBendtrans-65.325.2-172.9-59.5-1731.700116.8P229Q227-P229 WeakPolarHBondContact O-CD 3.5Å
228K66.6Low86.9Confident157 Ų15779.2 Ų79.268%0.68342%0.419SS*.  trans-95.7100.7163.3-70.6-175.3178-178.60107.8V226 S231V226-K228 PolarHBondContact O-N 2.71Å; K228-S231 PolarHBondContact O-OG 2.92Å
229P65.3Low86.9Confident93 Ų9375.2 Ų75.260%0.60440%0.401SS*.THydrogen-bonded Turntrans-65149.6-178.7-16.631.5000110.4Q227 S231Q227-P229 WeakPolarHBondContact O-CD 3.5Å; P229-S231 PolarHBondContact O-N 3.37Å; P229-S231 VanDerWaalsContact O-N 3.1Å
230N69.1Low86.9Confident98 Ų9875.9 Ų75.952%0.52441%0.41SS..THydrogen-bonded Turntrans63.513.2170.3-44.2-28000115.5H194H194-N230 PolarHBondContact CE1-OD1 3.44Å
231S77.6Confident86.9Confident40 Ų4071.9 Ų71.928%0.2840%0.397SS..  trans-79.814316259.30000110.3K228 P229K228-S231 PolarHBondContact O-OG 2.92Å; P229-S231 PolarHBondContact O-N 3.37Å; P229-S231 VanDerWaalsContact O-N 3.1Å
232P84.6Confident87Confident96 Ų9668.7 Ų68.762%0.62340%0.4SS*.  trans-64.4142.9171.728.7-34.9000110.4F190 K191F190-P232 CarbonylContact O-C 3.58Å; F190-P232 VanDerWaalsContact O-CA 3.31Å; F190-P232 WeakPolarHBondContact O-CA 3.26Å; K191-P232 WeakPolarHBondContact O-CA 3.4Å
233W90.6Very high87.2Confident85 Ų8567.4 Ų67.432%0.32239%0.387SS..EExtended strand (participates in β ladder)trans-140.1134-177.8-171.7-82.3000111.7F190 C193 F224 V226F190-W233 PolarHBondContact N-O 3.19Å; F190-W233 PolarHBondContact O-N 2.89Å; C193-W233 HydrophobicContact CB-CB 3.74Å; C193-W233 WeakPolarHBondContact SG-CB 3.45Å; C193-W233 VanDerWaalsContact SG-CG 3.59Å; F224-W233 AromaticContact CD2-CD1 3.61Å; F224-W233 HydrophobicContact CD2-CG 4.46Å; F224-W233 AromaticContact CD2-NE1 3.83Å; F224-W233 WeakPolarHBondContact O-CZ2 3.23Å; V226-W233 HydrophobicContact CB-CH2 4.5Å; V226-W233 HydrophobicContact CB-CZ3 4.16Å; V226-W233 HydrophobicContact CG2-CH2 3.64Å; V226-W233 HydrophobicContact CG2-CZ3 3.78Å
234T92.7Very high87.6Confident77 Ų7770 Ų7047%0.47238%0.384SS..EExtended strand (participates in β ladder)trans-97.4124.6174.3-530000109.8E187 L188E187-T234 HydrophobicContact CG-CG2 3.52Å; L188-T234 CarbonylContact O-C 3.47Å; L188-T234 WeakPolarHBondContact O-CA 3.28Å
235A93.8Very high88Confident7 Ų768.4 Ų68.46%0.05838%0.377CS..EExtended strand (participates in β ladder)trans-129.7130.7176.800000110.5L188 F190 F199 F224L188-A235 PolarHBondContact N-O 2.89Å; L188-A235 PolarHBondContact O-N 2.81Å; F190-A235 HydrophobicContact CE2-CB 4.4Å; F199-A235 HydrophobicContact CE1-CB 3.81Å; F224-A235 HydrophobicContact CD1-CB 4.13Å; F224-A235 HydrophobicContact CD2-CB 3.81Å; F224-A235 HydrophobicContact CE1-CB 4.28Å; F224-A235 HydrophobicContact CE2-CB 3.97Å; F224-A235 HydrophobicContact CG-CB 3.9Å; F224-A235 HydrophobicContact CZ-CB 4.21Å
236E95.1Very high88.5Confident86 Ų8672.6 Ų72.640%0.40240%0.396SS..EExtended strand (participates in β ladder)trans-114.3161.3-177.764.8169.9176.600113.4R185 V186 R221R185-E236 IonicContact CZ-OE2 2.79Å; R185-E236 VanDerWaalsContact CZ-OE2 3.25Å; R185-E236 IonicContact NE-OE2 3.49Å; R185-E236 PolarHBondContact NE-OE2 3.05Å; R185-E236 IonicContact NH2-OE2 2.7Å; R185-E236 PolarHBondContact NH2-OE2 2.88Å; V186-E236 CarbonylContact O-C 3.57Å; V186-E236 VanDerWaalsContact O-CA 3.24Å; V186-E236 WeakPolarHBondContact O-CA 3.39Å; V186-E236 WeakPolarHBondContact O-CB 3.49Å; R221-E236 VanDerWaalsContact CZ-O 3.31Å; R221-E236 PolarHBondContact NE-O 2.92Å; R221-E236 PolarHBondContact NH2-O 3.13Å
237S97.4Very high89.5Confident5 Ų573.4 Ų73.44%0.03539%0.392CS..EExtended strand (participates in β ladder)trans-140.1136.2169.3176.50000109.7R185 V186 H201 A219R185-S237 WeakPolarHBondContact CA-O 3.28Å; V186-S237 PolarHBondContact N-O 2.83Å; V186-S237 PolarHBondContact O-N 2.7Å; H201-S237 PolarHBondContact ND1-OG 2.92Å; A219-S237 WeakPolarHBondContact CB-OG 3.33Å
238Y98.1Very high90.9Very high127 Ų12769.5 Ų69.550%0.49837%0.372SS..EExtended strand (participates in β ladder)trans-115.1139.7166.5-174.8-88000109Y183 S184 R185 F269Y183-Y238 WeakPolarHBondContact CB-OH 3.25Å; S184-Y238 CarbonylContact O-C 3.5Å; S184-Y238 WeakPolarHBondContact O-CA 3.46Å; R185-Y238 HydrophobicContact CB-CD2 4.07Å; Y238-F269 HydrophobicContact CE2-CE2 4.15Å; Y238-F269 HydrophobicContact CE2-CZ 4.49Å
239L98.6Very high92.4Very high19 Ų1962.1 Ų62.110%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-127.3141.3169.4-73.9177.7000108.2Y183 S184 M203 M217 A219Y183-L239 CarbonylContact C-O 3.58Å; Y183-L239 WeakPolarHBondContact CA-O 3.21Å; S184-L239 PolarHBondContact N-O 2.9Å; S184-L239 PolarHBondContact O-N 3.21Å; M203-L239 HydrophobicContact CG-CB 4.4Å; M203-L239 HydrophobicContact CG-CD1 3.92Å; M203-L239 HydrophobicContact SD-CB 3.49Å; M203-L239 WeakPolarHBondContact SD-CB 3.24Å; M203-L239 HydrophobicContact SD-CD1 4.11Å; M203-L239 HydrophobicContact SD-CG 4.46Å; M217-L239 HydrophobicContact CB-CB 4.49Å; M217-L239 HydrophobicContact CB-CD1 4.02Å; M217-L239 HydrophobicContact CB-CD2 4.12Å; M217-L239 HydrophobicContact CB-CG 4.45Å; M217-L239 HydrophobicContact CE-CB 4.38Å; M217-L239 HydrophobicContact SD-CB 4.34Å; A219-L239 HydrophobicContact CB-CD2 3.82Å; A219-L239 HydrophobicContact CB-CG 4.29Å
240G98.3Very high94Very high34 Ų3460.5 Ų60.535%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-167.3133.4-17900000111.9V182 M217V182-G240 WeakPolarHBondContact O-CA 3.45Å; M217-G240 VanDerWaalsContact SD-C 3.59Å
241G97.9Very high95.4Very high19 Ų1955.9 Ų55.920%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-168.1154.6-177.100000114H181 V182H181-G241 WeakPolarHBondContact CA-O 3.31Å; V182-G241 PolarHBondContact N-O 2.87Å; V182-G241 PolarHBondContact O-N 2.87Å
242G98.1Very high96.3Very high49 Ų4954.1 Ų54.151%0.50529%0.285SS..EExtended strand (participates in β ladder)trans-80.7119.4169.300000110.3Y180Y180-G242 CarbonylContact O-C 3.55Å; Y180-G242 WeakPolarHBondContact O-CA 3.22Å
243L97.4Very high96.9Very high38 Ų3849.6 Ų49.620%0.19926%0.255CS..EExtended strand (participates in β ladder)trans-135.3138.3-171.5-65.9171.3000111.2Y180 V182 L216 M217 L245Y180-L243 PolarHBondContact N-O 2.93Å; Y180-L243 PolarHBondContact O-N 2.95Å; V182-L243 HydrophobicContact CB-CD1 4.21Å; V182-L243 HydrophobicContact CG2-CB 4.25Å; V182-L243 HydrophobicContact CG2-CD1 4.1Å; L216-L243 HydrophobicContact CB-CD1 3.82Å; L216-L243 HydrophobicContact CD1-CD1 4.05Å; L216-L243 HydrophobicContact CD2-CD1 4.33Å; L216-L243 HydrophobicContact CG-CD1 4.29Å; M217-L243 HydrophobicContact CE-CD1 4.03Å; L243-L245 PolarHBondContact O-N 3.18Å
244Q97.9Very high97.2Very high115 Ų11547.6 Ų47.654%0.53725%0.251SS..EExtended strand (participates in β ladder)trans-77.9112.2173.6-179.163.555.100109.7G178G178-Q244 VanDerWaalsContact C-NE2 3.32Å; G178-Q244 PolarHBondContact O-NE2 2.89Å
245L98.1Very high97.3Very high0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-101.9151.2171.4-57.1-178.8000110.6V174 S177 G178 Y180 V182 L243 D249 V251 L272V174-L245 HydrophobicContact CG1-CD1 3.92Å; V174-L245 HydrophobicContact CG2-CB 3.98Å; V174-L245 HydrophobicContact CG2-CD1 4.26Å; S177-L245 WeakPolarHBondContact CA-O 3.44Å; G178-L245 PolarHBondContact N-O 3Å; G178-L245 PolarHBondContact O-N 3.4Å; Y180-L245 HydrophobicContact CD1-CD1 4.5Å; Y180-L245 HydrophobicContact CD2-CB 3.73Å; Y180-L245 HydrophobicContact CD2-CD1 3.79Å; Y180-L245 HydrophobicContact CD2-CG 3.9Å; Y180-L245 HydrophobicContact CE2-CB 4.05Å; Y180-L245 HydrophobicContact CE2-CD1 4.42Å; Y180-L245 HydrophobicContact CG-CD1 3.84Å; Y180-L245 HydrophobicContact CG-CG 4.33Å; V182-L245 HydrophobicContact CG2-CD1 4.18Å; L243-L245 PolarHBondContact O-N 3.18Å; L245-D249 WeakPolarHBondContact CA-OD2 3.42Å; L245-D249 HydrophobicContact CB-CB 4.4Å; L245-V251 HydrophobicContact CD1-CG2 3.84Å; L245-V251 HydrophobicContact CD2-CG2 4Å; L245-L272 HydrophobicContact CD1-CD2 4.43Å
246M97.4Very high97.3Very high99 Ų9945.2 Ų45.249%0.48824%0.237SC..PPolyproline II helixtrans-102.9151.7174.8-57.1-177.8-18000110.1V174 F248 D249V174-M246 WeakPolarHBondContact CG2-O 2.99Å; M246-F248 PolarHBondContact O-N 2.81Å; M246-D249 PolarHBondContact N-OD2 2.87Å; M246-D249 WeakPolarHBondContact O-CB 3.37Å; M246-D249 VanDerWaalsContact O-CG 3.29Å; M246-D249 PolarHBondContact O-N 3.35Å
247K97.3Very high97.2Very high114 Ų11443.4 Ų43.450%0.49623%0.228SC..THydrogen-bonded Turntrans-51.5128.2171.2175.8161.6-175.8166.30111.2N175 S177N175-K247 WeakPolarHBondContact O-CD 3.37Å; N175-K247 WeakPolarHBondContact O-CE 3.4Å; N175-K247 WeakPolarHBondContact O-CG 3.38Å; S177-K247 PolarHBondContact OG-N 2.97Å
248F97.1Very high96.9Very high101 Ų10144 Ų4444%0.44323%0.232SC..THydrogen-bonded Turntrans72.111.5-173.5-46-51.9000116.6V174 M246 R250V174-F248 WeakPolarHBondContact O-CA 3.25Å; V174-F248 PolarHBondContact O-N 2.9Å; M246-F248 PolarHBondContact O-N 2.81Å; F248-R250 PolarHBondContact O-N 3Å
249D97.9Very high96.5Very high2 Ų241.3 Ų41.31%0.01123%0.229CC..  trans-57.9126.3164.4-83.7-2.4000110.1Q173 V174 V205 R207 L245 M246Q173-D249 WeakPolarHBondContact CA-O 3.26Å; V174-D249 HydrophobicContact CG2-CB 3.98Å; V174-D249 PolarHBondContact N-O 2.86Å; V174-D249 VanDerWaalsContact N-O 3.12Å; V205-D249 HydrophobicContact CG2-CB 3.58Å; R207-D249 WeakPolarHBondContact CD-OD1 3.29Å; R207-D249 WeakPolarHBondContact CG-OD1 3.1Å; R207-D249 IonicContact CZ-OD1 3.68Å; R207-D249 IonicContact CZ-OD2 3.65Å; R207-D249 IonicContact NE-OD1 3.25Å; R207-D249 PolarHBondContact NE-OD1 2.02Å; R207-D249 IonicContact NE-OD2 2.76Å; R207-D249 PolarHBondContact NE-OD2 2.91Å; R207-D249 IonicContact NH2-OD1 2.94Å; R207-D249 IonicContact NH2-OD2 3.37Å; R207-D249 PolarHBondContact NH2-OD2 3.38Å; L245-D249 WeakPolarHBondContact CA-OD2 3.42Å; L245-D249 HydrophobicContact CB-CB 4.4Å; M246-D249 PolarHBondContact N-OD2 2.87Å; M246-D249 WeakPolarHBondContact O-CB 3.37Å; M246-D249 VanDerWaalsContact O-CG 3.29Å; M246-D249 PolarHBondContact O-N 3.35Å
250R98Very high96.2Very high60 Ų6044.7 Ų44.723%0.22624%0.241CC..EExtended strand (participates in β ladder)trans-99.6113.4170.2-73.1-171178.5-144.8-2.1109.1E168 D169 A171 Q173 V205 R206 F248 Y252E168-R250 IonicContact OE1-CZ 3.66Å; E168-R250 IonicContact OE1-NH1 2.82Å; E168-R250 PolarHBondContact OE1-NH1 2.86Å; E168-R250 IonicContact OE1-NH2 3.15Å; E168-R250 PolarHBondContact OE1-NH2 2.87Å; D169-R250 IonicContact OD1-NH1 3.38Å; D169-R250 PolarHBondContact OD1-NH1 3.32Å; D169-R250 IonicContact OD2-CZ 3.48Å; D169-R250 IonicContact OD2-NH1 2.79Å; D169-R250 PolarHBondContact OD2-NH1 2.97Å; A171-R250 HydrophobicContact CB-CB 3.87Å; A171-R250 HydrophobicContact CB-CG 4.16Å; Q173-R250 HydrophobicContact CB-CG 4.12Å; Q173-R250 HydrophobicContact CG-CG 3.94Å; V205-R250 CarbonylContact C-O 3.56Å; V205-R250 VanDerWaalsContact CA-O 3.3Å; V205-R250 WeakPolarHBondContact CA-O 3.23Å; V205-R250 WeakPolarHBondContact CG2-O 3.06Å; R206-R250 PolarHBondContact N-O 2.94Å; R206-R250 PolarHBondContact O-N 3.34Å; R206-R250 VanDerWaalsContact O-N 3.1Å; F248-R250 PolarHBondContact O-N 3Å; R250-Y252 HydrophobicContact CB-CD2 4.44Å; R250-Y252 HydrophobicContact CB-CE2 3.55Å; R250-Y252 WeakPolarHBondContact CD-OH 3.33Å; R250-Y252 VanDerWaalsContact O-CD2 3.25Å; R250-Y252 WeakPolarHBondContact O-CD2 3.38Å; R250-Y252 VanDerWaalsContact O-CE2 3.23Å; R250-Y252 WeakPolarHBondContact O-CE2 3.1Å
251V98.4Very high95.9Very high0 Ų044.8 Ų44.80%023%0.233CC..EExtended strand (participates in β ladder)trans-98.7137179.1-170.60000110.2A171 L172 V182 F204 V205 L216 L245 F270 L272A171-V251 WeakPolarHBondContact CA-O 3.48Å; L172-V251 PolarHBondContact N-O 3.46Å; L172-V251 PolarHBondContact O-N 2.85Å; V182-V251 HydrophobicContact CG1-CG1 4.02Å; F204-V251 WeakPolarHBondContact O-CA 3.34Å; V205-V251 HydrophobicContact CG2-CG2 4.36Å; L216-V251 HydrophobicContact CD1-CG1 3.8Å; L216-V251 HydrophobicContact CD1-CG2 4.45Å; L245-V251 HydrophobicContact CD1-CG2 3.84Å; L245-V251 HydrophobicContact CD2-CG2 4Å; V251-F270 HydrophobicContact CB-CZ 4.05Å; V251-F270 HydrophobicContact CG1-CE2 4.09Å; V251-F270 HydrophobicContact CG1-CZ 3.81Å; V251-L272 HydrophobicContact CB-CD2 4.45Å; V251-L272 HydrophobicContact CG2-CD2 4.4Å
252Y97.6Very high95.5Very high4 Ų444.5 Ų44.52%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-134.7164.7-173.6-58.5-97.3000111.3T147 D169 A171 M203 F204 R206 R250T147-Y252 HydrophobicContact CG2-CD1 3.74Å; T147-Y252 HydrophobicContact CG2-CG 4.34Å; D169-Y252 HydrophobicContact CB-CE1 4.06Å; D169-Y252 WeakPolarHBondContact OD2-CE1 3.5Å; D169-Y252 PolarHBondContact OD2-OH 2.9Å; A171-Y252 HydrophobicContact CB-CD1 3.94Å; A171-Y252 HydrophobicContact CB-CE1 3.54Å; A171-Y252 HydrophobicContact CB-CE2 4.19Å; A171-Y252 HydrophobicContact CB-CG 4.45Å; M203-Y252 WeakPolarHBondContact CA-O 3.09Å; F204-Y252 AromaticContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CG 4.38Å; F204-Y252 VanDerWaalsContact CE1-CB 3.49Å; F204-Y252 HydrophobicContact CE1-CG 4.39Å; F204-Y252 AromaticContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CE2 4.28Å; F204-Y252 AromaticContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CZ-CD1 4.37Å; F204-Y252 HydrophobicContact CZ-CD2 4.06Å; F204-Y252 AromaticContact CZ-CG 3.7Å; F204-Y252 HydrophobicContact CZ-CG 3.7Å; F204-Y252 PolarHBondContact N-O 2.87Å; F204-Y252 PolarHBondContact O-N 3.4Å; R206-Y252 HydrophobicContact CB-CE2 3.83Å; R206-Y252 HydrophobicContact CG-CD2 4.18Å; R206-Y252 HydrophobicContact CG-CE2 3.57Å; R206-Y252 PolarHBondContact NH1-OH 3.5Å; R250-Y252 HydrophobicContact CB-CD2 4.44Å; R250-Y252 HydrophobicContact CB-CE2 3.55Å; R250-Y252 WeakPolarHBondContact CD-OH 3.33Å; R250-Y252 VanDerWaalsContact O-CD2 3.25Å; R250-Y252 WeakPolarHBondContact O-CD2 3.38Å; R250-Y252 VanDerWaalsContact O-CE2 3.23Å; R250-Y252 WeakPolarHBondContact O-CE2 3.1Å
253V97.5Very high94.9Very high1 Ų148.3 Ų48.31%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-123.3132.5171.2-174.40000109.3T147 L148 W150 V202 M203 F270T147-V253 WeakPolarHBondContact CA-O 3.34Å; L148-V253 HydrophobicContact CD1-CG1 4.16Å; L148-V253 PolarHBondContact N-O 3.1Å; W150-V253 HydrophobicContact CZ2-CB 3.83Å; W150-V253 HydrophobicContact CZ2-CG1 4.14Å; W150-V253 HydrophobicContact CZ2-CG2 3.87Å; V202-V253 CarbonylContact O-C 3.56Å; V202-V253 WeakPolarHBondContact O-CA 3.47Å; M203-V253 HydrophobicContact CG-CG2 4.31Å; V253-F270 HydrophobicContact CG2-CB 3.99Å; V253-F270 HydrophobicContact CG2-CD1 3.93Å; V253-F270 HydrophobicContact CG2-CD2 3.51Å; V253-F270 HydrophobicContact CG2-CE1 4.26Å; V253-F270 HydrophobicContact CG2-CE2 3.92Å; V253-F270 HydrophobicContact CG2-CG 3.54Å; V253-F270 HydrophobicContact CG2-CZ 4.28Å
254N95.9Very high94.2Very high42 Ų4249.1 Ų49.123%0.22524%0.242CC..EExtended strand (participates in β ladder)trans-111142.9169.6-95.65.7000110M146 T147 V202 F204M146-N254 VanDerWaalsContact O-CA 3.3Å; M146-N254 WeakPolarHBondContact O-CA 3.26Å; M146-N254 PolarHBondContact O-OD1 2.85Å; T147-N254 WeakPolarHBondContact CA-OD1 3.31Å; T147-N254 WeakPolarHBondContact CB-OD1 3.13Å; T147-N254 PolarHBondContact N-OD1 2.93Å; T147-N254 PolarHBondContact OG1-OD1 3.35Å; V202-N254 HydrophobicContact CB-CB 4.18Å; V202-N254 PolarHBondContact N-O 3.28Å; V202-N254 PolarHBondContact O-N 3.22Å; F204-N254 HydrophobicContact CD1-CB 4.35Å; F204-N254 HydrophobicContact CE1-CB 3.93Å; F204-N254 WeakPolarHBondContact CE1-OD1 3.3Å
255V95.4Very high92.9Very high2 Ų249.4 Ų49.41%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-128.3136.1163.7164.80000109.2M146 L148 V186 L188 H201 H257 P258 L261M146-V255 PolarHBondContact O-N 3.05Å; L148-V255 HydrophobicContact CD1-CB 4.32Å; L148-V255 HydrophobicContact CD1-CG2 3.87Å; L148-V255 HydrophobicContact CD2-CB 4.29Å; V186-V255 HydrophobicContact CB-CG2 4.21Å; V186-V255 HydrophobicContact CG1-CG2 3.89Å; V186-V255 HydrophobicContact CG2-CG2 3.97Å; L188-V255 HydrophobicContact CD1-CG1 4.22Å; L188-V255 HydrophobicContact CD2-CG1 3.95Å; H201-V255 HydrophobicContact CB-CG2 4.45Å; V255-H257 VanDerWaalsContact C-N 3.32Å; V255-H257 PolarHBondContact O-N 3.12Å; V255-P258 WeakPolarHBondContact O-CD 3.46Å; V255-L261 HydrophobicContact CG1-CD2 4.48Å
256S94.6Very high92.2Very high33 Ų3356.1 Ų56.123%0.23127%0.269CS..SBendtrans-61.9-32.8179.3510000114.7F199 N200 P258F199-S256 VanDerWaalsContact CA-OG 3.23Å; F199-S256 WeakPolarHBondContact CA-OG 3.25Å; F199-S256 VanDerWaalsContact CB-OG 3.31Å; F199-S256 WeakPolarHBondContact CB-OG 3.32Å; N200-S256 PolarHBondContact N-OG 2.88Å; N200-S256 PolarHBondContact O-N 3.22Å; N200-S256 PolarHBondContact O-OG 3.42Å; S256-P258 WeakPolarHBondContact O-CD 3.36Å
257H92.8Very high91.8Very high48 Ų4851.5 Ų51.522%0.22225%0.247CC..  trans-124.366.9-178.3-63.685.9000110.8L188 W198 V255 T259 Y260L188-H257 HydrophobicContact CD2-CB 4.01Å; W198-H257 PolarHBondContact O-CE1 3.31Å; W198-H257 PolarHBondContact O-ND1 2.92Å; V255-H257 VanDerWaalsContact C-N 3.32Å; V255-H257 PolarHBondContact O-N 3.12Å; H257-T259 PolarHBondContact O-N 3.02Å; H257-T259 VanDerWaalsContact O-N 3.14Å; H257-Y260 HydrophobicContact CB-CD2 3.74Å; H257-Y260 HydrophobicContact CB-CE2 4.28Å; H257-Y260 HydrophobicContact CB-CG 4.37Å; H257-Y260 AromaticContact CD2-CE2 3.74Å; H257-Y260 PolarHBondContact O-N 3.34Å; H257-Y260 VanDerWaalsContact O-N 3.14Å
258P90.9Very high91.7Very high18 Ų1846.4 Ų46.412%0.11723%0.225CC..G310 helixtrans-64-21.8-17730-36000112L148 V255 S256 Y260 L261L148-P258 HydrophobicContact CD2-CB 4.13Å; V255-P258 WeakPolarHBondContact O-CD 3.46Å; S256-P258 WeakPolarHBondContact O-CD 3.36Å; P258-Y260 PolarHBondContact O-N 3.33Å; P258-L261 HydrophobicContact CB-CD1 4.29Å; P258-L261 PolarHBondContact O-N 2.97Å
259T90Very high91.7Very high69 Ų6943.4 Ų43.442%0.42321%0.212SC..G310 helixtrans-66-15.2177.173.90000114.2Y141 H257Y141-T259 HydrophobicContact CE2-CG2 3.96Å; Y141-T259 WeakPolarHBondContact OH-CG2 3.28Å; H257-T259 PolarHBondContact O-N 3.02Å; H257-T259 VanDerWaalsContact O-N 3.14Å
260Y91.6Very high91.7Very high91 Ų9143.3 Ų43.336%0.35721%0.211SC..G310 helixtrans-108.63.4179.7-60-24.7000112.9L188 I189 F190 H257 P258 S262L188-Y260 CarbonylContact C-O 3.47Å; L188-Y260 VanDerWaalsContact CA-O 3.27Å; L188-Y260 WeakPolarHBondContact CA-O 3.14Å; I189-Y260 PolarHBondContact N-O 2.96Å; F190-Y260 AromaticContact CD1-CD2 3.66Å; F190-Y260 HydrophobicContact CD1-CD2 3.66Å; F190-Y260 AromaticContact CD1-CE2 3.77Å; F190-Y260 HydrophobicContact CD1-CE2 3.77Å; F190-Y260 AromaticContact CE1-CD2 3.57Å; F190-Y260 HydrophobicContact CE1-CD2 3.57Å; F190-Y260 AromaticContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CG-CD2 4.28Å; F190-Y260 HydrophobicContact CZ-CD2 4.13Å; H257-Y260 HydrophobicContact CB-CD2 3.74Å; H257-Y260 HydrophobicContact CB-CE2 4.28Å; H257-Y260 HydrophobicContact CB-CG 4.37Å; H257-Y260 AromaticContact CD2-CE2 3.74Å; H257-Y260 PolarHBondContact O-N 3.34Å; H257-Y260 VanDerWaalsContact O-N 3.14Å; P258-Y260 PolarHBondContact O-N 3.33Å; Y260-S262 PolarHBondContact O-N 3.47Å
261L91.9Very high91.7Very high35 Ų3540.5 Ų40.518%0.18320%0.2CC..BIsolated β-bridgetrans-59.8137.3178.7-72.5167.4000111.3L148 V186 L188 V255 P258 H263 N268L148-L261 HydrophobicContact CD1-CD1 3.89Å; L148-L261 HydrophobicContact CD1-CD2 4.48Å; L148-L261 HydrophobicContact CD2-CD1 3.55Å; L148-L261 HydrophobicContact CG-CD1 4.37Å; V186-L261 HydrophobicContact CB-CD2 4.15Å; V186-L261 HydrophobicContact CG1-CD2 4.46Å; L188-L261 HydrophobicContact CD1-CD2 3.78Å; L188-L261 HydrophobicContact CG-CD2 4.14Å; V255-L261 HydrophobicContact CG1-CD2 4.48Å; P258-L261 HydrophobicContact CB-CD1 4.29Å; P258-L261 PolarHBondContact O-N 2.97Å; L261-H263 PolarHBondContact O-CD2 3.2Å; L261-N268 WeakPolarHBondContact CD2-OD1 3.36Å
262S90.6Very high91.7Very high13 Ų1340.5 Ų40.59%0.09120%0.201CC..  trans-63.4133.2174.5179.30000110.8E187 Y260 S264 N268E187-S262 WeakPolarHBondContact O-CB 3.43Å; E187-S262 PolarHBondContact O-N 2.74Å; E187-S262 WeakPolarHBondContact OE1-CB 3.49Å; E187-S262 PolarHBondContact OE1-OG 2.93Å; Y260-S262 PolarHBondContact O-N 3.47Å; S262-S264 PolarHBondContact O-N 3.37Å; S262-S264 VanDerWaalsContact OG-CB 3.25Å; S262-S264 WeakPolarHBondContact OG-CB 3.36Å; S262-S264 PolarHBondContact OG-N 3.28Å; S262-N268 PolarHBondContact O-ND2 3.45Å
263H84.8Confident91.8Very high129 Ų12945.5 Ų45.560%0.59722%0.22SC*.  trans-809173.1-71.3-119000112.3T139 L261 H265T139-H263 HydrophobicContact CG2-CB 4.49Å; T139-H263 VanDerWaalsContact CG2-ND1 3.34Å; T139-H263 WeakPolarHBondContact CG2-ND1 3.34Å; L261-H263 PolarHBondContact O-CD2 3.2Å; H263-H265 PolarHBondContact O-N 2.94Å
264S82.1Confident91.8Very high56 Ų5648.6 Ų48.639%0.39223%0.233SC..  trans-64.4118.9172.11790000111S262 Y266 G267S262-S264 PolarHBondContact O-N 3.37Å; S262-S264 VanDerWaalsContact OG-CB 3.25Å; S262-S264 WeakPolarHBondContact OG-CB 3.36Å; S262-S264 PolarHBondContact OG-N 3.28Å; S264-Y266 PolarHBondContact O-N 3.24Å; S264-G267 PolarHBondContact O-N 2.94Å; S264-G267 PolarHBondContact OG-N 3.5Å
265H70.1Confident91.8Very high121 Ų12153.1 Ų53.156%0.5626%0.256SS*.THydrogen-bonded Turntrans-53.1-22.9-178.4-70.4-71.5000115H263H263-H265 PolarHBondContact O-N 2.94Å
266Y84.8Confident91.6Very high141 Ų14155.7 Ų55.755%0.55327%0.268SS*.THydrogen-bonded Turntrans-121.32.7-179.1-50.7-69.8000113.4L136 S264L136-Y266 HydrophobicContact CD1-CD1 4.49Å; L136-Y266 HydrophobicContact CD1-CE1 4.28Å; L136-Y266 HydrophobicContact CD2-CD1 4.37Å; S264-Y266 PolarHBondContact O-N 3.24Å
267G89.5Confident91.4Very high2 Ų256.8 Ų56.82%0.02127%0.27CS..THydrogen-bonded Turntrans-74.2-29.817600000113S264S264-G267 PolarHBondContact O-N 2.94Å; S264-G267 PolarHBondContact OG-N 3.5Å
268N95.1Very high91.3Very high6 Ų657.3 Ų57.33%0.03227%0.273CS..  trans-123.2130.4-177.4-61.6-80.5000110.5G137 W150 R185 V186 E187 L261 S262G137-N268 PolarHBondContact N-O 3.14Å; W150-N268 HydrophobicContact CZ3-CB 4.17Å; R185-N268 WeakPolarHBondContact O-CA 3.26Å; V186-N268 WeakPolarHBondContact CA-OD1 3.34Å; E187-N268 PolarHBondContact N-OD1 2.94Å; L261-N268 WeakPolarHBondContact CD2-OD1 3.36Å; S262-N268 PolarHBondContact O-ND2 3.45Å
269F96.4Very high91.4Very high39 Ų3959.6 Ų59.617%0.17128%0.282CS..EExtended strand (participates in β ladder)trans-155.5159173.753.7-104000113H134 V135 L136 W150 Y183 S184 R185 Y238H134-F269 AromaticContact CE1-CD2 3.84Å; H134-F269 AromaticContact CE1-CG 3.74Å; V135-F269 WeakPolarHBondContact O-CA 3.33Å; L136-F269 HydrophobicContact CD2-CB 4.18Å; W150-F269 VanDerWaalsContact CZ3-C 3.5Å; W150-F269 VanDerWaalsContact CZ3-CA 3.48Å; Y183-F269 HydrophobicContact CD2-CD2 4.13Å; Y183-F269 HydrophobicContact CD2-CE2 4.01Å; Y183-F269 AromaticContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CE2 4.08Å; S184-F269 CarbonylContact C-O 3.54Å; S184-F269 VanDerWaalsContact CA-O 3.24Å; S184-F269 WeakPolarHBondContact CA-O 3.49Å; S184-F269 PolarHBondContact OG-O 2.94Å; R185-F269 HydrophobicContact CB-CD1 4.11Å; R185-F269 HydrophobicContact CB-CD2 3.98Å; R185-F269 HydrophobicContact CB-CE1 3.75Å; R185-F269 HydrophobicContact CB-CE2 3.59Å; R185-F269 HydrophobicContact CB-CG 4.23Å; R185-F269 HydrophobicContact CB-CZ 3.47Å; R185-F269 VanDerWaalsContact CB-CZ 3.47Å; R185-F269 HydrophobicContact CG-CE1 4.3Å; R185-F269 HydrophobicContact CG-CZ 4.24Å; R185-F269 PolarHBondContact N-O 3.36Å; R185-F269 PolarHBondContact O-N 2.86Å; Y238-F269 HydrophobicContact CE2-CE2 4.15Å; Y238-F269 HydrophobicContact CE2-CZ 4.49Å
270F97.8Very high91.4Very high0 Ų059.1 Ų59.10%027%0.273CS..EExtended strand (participates in β ladder)trans-139.4144.4176.2166.8-135.7000108.9V135 W150 L172 V182 Y183 M203 V251 V253V135-F270 HydrophobicContact CG2-CB 3.98Å; V135-F270 HydrophobicContact CG2-CD1 3.89Å; V135-F270 HydrophobicContact CG2-CG 4.3Å; V135-F270 VanDerWaalsContact CG2-O 3.32Å; V135-F270 WeakPolarHBondContact CG2-O 3.4Å; V135-F270 PolarHBondContact N-O 2.94Å; V135-F270 PolarHBondContact O-N 2.9Å; W150-F270 AromaticContact CD1-CD1 3.9Å; W150-F270 HydrophobicContact CD2-CB 3.87Å; W150-F270 HydrophobicContact CE3-CB 4.14Å; W150-F270 HydrophobicContact CG-CD1 4.47Å; W150-F270 HydrophobicContact CH2-CB 3.89Å; W150-F270 HydrophobicContact CZ2-CB 3.57Å; W150-F270 HydrophobicContact CZ2-CG 4.36Å; W150-F270 HydrophobicContact CZ3-CB 4.17Å; W150-F270 AromaticContact NE1-CD1 3.59Å; L172-F270 HydrophobicContact CB-CE1 3.9Å; L172-F270 HydrophobicContact CB-CZ 4.03Å; L172-F270 HydrophobicContact CD1-CD1 3.83Å; L172-F270 HydrophobicContact CD1-CE1 3.56Å; L172-F270 HydrophobicContact CD1-CE2 4.24Å; L172-F270 HydrophobicContact CD1-CG 4.3Å; L172-F270 HydrophobicContact CD1-CZ 3.77Å; L172-F270 HydrophobicContact CG-CD1 4.07Å; L172-F270 HydrophobicContact CG-CE1 3.55Å; L172-F270 HydrophobicContact CG-CZ 4.04Å; V182-F270 HydrophobicContact CG1-CE2 4.19Å; Y183-F270 WeakPolarHBondContact O-CD2 3.5Å; M203-F270 HydrophobicContact CE-CD2 4.08Å; M203-F270 HydrophobicContact CE-CE2 3.87Å; V251-F270 HydrophobicContact CB-CZ 4.05Å; V251-F270 HydrophobicContact CG1-CE2 4.09Å; V251-F270 HydrophobicContact CG1-CZ 3.81Å; V253-F270 HydrophobicContact CG2-CB 3.99Å; V253-F270 HydrophobicContact CG2-CD1 3.93Å; V253-F270 HydrophobicContact CG2-CD2 3.51Å; V253-F270 HydrophobicContact CG2-CE1 4.26Å; V253-F270 HydrophobicContact CG2-CE2 3.92Å; V253-F270 HydrophobicContact CG2-CG 3.54Å; V253-F270 HydrophobicContact CG2-CZ 4.28Å
271G98.4Very high91.4Very high0 Ų056.9 Ų56.90%027%0.268CS..EExtended strand (participates in β ladder)trans-167.7170.8178.200000113.8A133 Y183A133-G271 CarbonylContact O-C 3.33Å; A133-G271 WeakPolarHBondContact O-CA 3.2Å; Y183-G271 WeakPolarHBondContact CD1-O 3.28Å; Y183-G271 PolarHBondContact N-O 3.1Å; Y183-G271 PolarHBondContact O-N 3.39Å; Y183-G271 VanDerWaalsContact O-O 3.11Å
272L98.7Very high91.4Very high1 Ų158.5 Ų58.51%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-155.2153172.359.290.6000110.9A132 A133 V163 L172 V174 Y180 H181 V182 L245 V251A132-L272 CarbonylContact C-O 3.54Å; A132-L272 VanDerWaalsContact CA-O 3.29Å; A132-L272 WeakPolarHBondContact CA-O 3.33Å; A133-L272 PolarHBondContact N-O 3.26Å; A133-L272 PolarHBondContact O-N 2.9Å; V163-L272 HydrophobicContact CB-CD1 4.5Å; V163-L272 HydrophobicContact CG1-CD1 3.9Å; V163-L272 HydrophobicContact CG2-CD1 3.72Å; L172-L272 HydrophobicContact CB-CD2 3.83Å; L172-L272 HydrophobicContact CD1-CD2 4.07Å; L172-L272 HydrophobicContact CD1-CG 4.13Å; V174-L272 HydrophobicContact CG1-CD1 3.76Å; V174-L272 HydrophobicContact CG1-CD2 4.29Å; Y180-L272 HydrophobicContact CD1-CD1 3.54Å; Y180-L272 HydrophobicContact CE1-CD1 3.8Å; H181-L272 CarbonylContact O-C 3.49Å; H181-L272 WeakPolarHBondContact O-CA 3.36Å; H181-L272 WeakPolarHBondContact O-CB 3.34Å; V182-L272 HydrophobicContact CB-CB 4.27Å; V182-L272 HydrophobicContact CG1-CB 4.04Å; V182-L272 HydrophobicContact CG1-CD2 4.41Å; V182-L272 HydrophobicContact CG2-CB 4.17Å; L245-L272 HydrophobicContact CD1-CD2 4.43Å; V251-L272 HydrophobicContact CB-CD2 4.45Å; V251-L272 HydrophobicContact CG2-CD2 4.4Å
273Y98.4Very high91.5Very high108 Ų10862 Ų6242%0.42429%0.288SS..EExtended strand (participates in β ladder)trans-143.1147.2168.162.9-94.3000110.5P131 Y180 H181 Y183 I275P131-Y273 CarbonylContact O-C 3.5Å; P131-Y273 WeakPolarHBondContact O-CA 3.28Å; Y180-Y273 CarbonylContact C-O 3.53Å; Y180-Y273 VanDerWaalsContact CA-O 3.25Å; Y180-Y273 WeakPolarHBondContact CA-O 3.36Å; Y180-Y273 VanDerWaalsContact CD1-C 3.49Å; H181-Y273 HydrophobicContact CB-CD1 4.2Å; H181-Y273 HydrophobicContact CB-CD2 4.31Å; H181-Y273 HydrophobicContact CB-CE1 3.68Å; H181-Y273 HydrophobicContact CB-CE2 3.79Å; H181-Y273 HydrophobicContact CB-CG 4.49Å; H181-Y273 VanDerWaalsContact CB-CZ 3.44Å; H181-Y273 AromaticContact CD2-CE1 3.73Å; H181-Y273 AromaticContact CG-CE1 3.99Å; H181-Y273 AromaticContact CG-CZ 3.91Å; H181-Y273 PolarHBondContact N-O 2.94Å; H181-Y273 PolarHBondContact O-N 3.4Å; Y183-Y273 HydrophobicContact CE1-CD1 4.32Å; Y273-I275 HydrophobicContact CE2-CG1 4.14Å
274K97.6Very high92Very high66 Ų6656.4 Ų56.429%0.28726%0.262SS..EExtended strand (participates in β ladder)trans-73.6136.6174.7-172.7164.3173.8169.80110.2P131 E176 S177 Y180P131-K274 HydrophobicContact CB-CB 4.01Å; P131-K274 HydrophobicContact CG-CB 4.16Å; P131-K274 HydrophobicContact CG-CD 4.23Å; P131-K274 PolarHBondContact O-N 3.13Å; E176-K274 HydrophobicContact CG-CD 4.39Å; E176-K274 WeakPolarHBondContact OE1-CD 3.42Å; E176-K274 WeakPolarHBondContact OE1-CE 3.27Å; E176-K274 IonicContact OE1-NZ 3.04Å; E176-K274 PolarHBondContact OE1-NZ 3.09Å; S177-K274 PolarHBondContact O-NZ 3.41Å; Y180-K274 HydrophobicContact CD1-CB 3.91Å; Y180-K274 HydrophobicContact CE1-CB 3.63Å; Y180-K274 HydrophobicContact CE1-CG 4.38Å; Y180-K274 HydrophobicContact CE2-CD 4.45Å
275I95.5Very high92.9Very high137 Ų13756.5 Ų56.570%0.70325%0.25SS*.  trans-87.90173.6-63.8167.1000108.8L179 H181 Y273L179-I275 HydrophobicContact CD2-CB 4.33Å; L179-I275 HydrophobicContact CD2-CD1 4.04Å; L179-I275 HydrophobicContact CD2-CG2 4.35Å; L179-I275 HydrophobicContact CG-CB 4.45Å; L179-I275 HydrophobicContact CG-CD1 4.06Å; L179-I275 PolarHBondContact O-N 3.46Å; H181-I275 HydrophobicContact CB-CD1 4.1Å; H181-I275 HydrophobicContact CB-CG1 4.38Å; Y273-I275 HydrophobicContact CE2-CG1 4.14Å

Retrieved 275 of 275 residues in 133.5 ms (Link to these results)