A0A096LWF7_POEFO Loading...

Translocon-associated protein subunit alpha

TRAP proteins are part of a complex whose function is to bind calcium to the ER membrane and thereby regulate the retention of ER resident proteins. May be involved in the recycling of the translocation apparatus after completion of the translocation process or may function as a membrane-bound chaperone facilitating folding of translocated proteins.

AlphaFold DB , UniProt , Accession A0A096LWF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 297 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
1M53Low66.5Low227 Ų227139.2 Ų139.2100%1.11869%0.691SS**  06.70-69.2175.9174.500115.4
2K55.3Low67.1Low181 Ų181137.8 Ų137.879%0.78769%0.687SS**  trans-94.8-6.7177.8-67.6-178.5178.1178.90115.2
3F57.7Low67.5Low173 Ų173135.9 Ų135.976%0.75968%0.68SS**SBendtrans-93.4-25.5-179.1-77.5-85000113.5K6 L7F3-K6 PolarHBondContact O-N 2.64Å; F3-L7 WeakPolarHBondContact O-CB 3.43Å; F3-L7 PolarHBondContact O-N 3.47Å
4L65.8Low67.8Low132 Ų132129.1 Ų129.169%0.69166%0.656SS**Hα-helixtrans-59.1-45177.6-141.185.5000114K6 L7 L8L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.24Å; L4-L7 PolarHBondContact O-N 2.82Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 PolarHBondContact O-N 3.14Å
5P68.1Low67.8Low78 Ų78129.7 Ų129.751%0.50665%0.652SS.*Hα-helixtrans-70-29.417925.9-33.6000112.6L9P5-L9 WeakPolarHBondContact O-CB 3.24Å; P5-L9 PolarHBondContact O-N 3.36Å
6K68.8Low67.6Low150 Ų150126 Ų12665%0.65264%0.64SS**Hα-helixtrans-72.9-38.6175.7-68.2-175.8176-174.40111.9F3 L4 L9 L10F3-K6 PolarHBondContact O-N 2.64Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.24Å; K6-L9 PolarHBondContact O-N 2.64Å; K6-L10 WeakPolarHBondContact O-CB 3.36Å; K6-L10 PolarHBondContact O-N 3.16Å
7L72Confident67.5Low118 Ų118122.9 Ų122.962%0.61863%0.628SS**Hα-helixtrans-65.4-41.2173.9-165.989.7000111.2F3 L4 L10 L11F3-L7 WeakPolarHBondContact O-CB 3.43Å; F3-L7 PolarHBondContact O-N 3.47Å; L4-L7 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-L11 WeakPolarHBondContact O-CB 3.01Å; L7-L11 PolarHBondContact O-N 3.29Å
8L71.4Confident67.3Low113 Ų113120.7 Ų120.759%0.59262%0.622SS**Hα-helixtrans-67.5-37.8178.5-169.5134.8000112L4 L11 L12L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 PolarHBondContact O-N 3.14Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-L12 VanDerWaalsContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.2Å
9L72.6Confident67.1Low113 Ų113118.4 Ų118.459%0.59261%0.61SS**Hα-helixtrans-68.2-39.2175.2-155.4157000111.5P5 K6 L12 L13P5-L9 WeakPolarHBondContact O-CB 3.24Å; P5-L9 PolarHBondContact O-N 3.36Å; K6-L9 PolarHBondContact O-N 2.64Å; L9-L12 PolarHBondContact O-N 3.15Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 PolarHBondContact O-N 3.45Å
10L73.1Confident66.6Low126 Ų126119.4 Ų119.466%0.6662%0.616SS**Hα-helixtrans-67-38.7175.9-153.3157.3000111.4K6 L7 L13 A14K6-L10 WeakPolarHBondContact O-CB 3.36Å; K6-L10 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-A14 VanDerWaalsContact O-CB 3.22Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.89Å
11L73.6Confident66.3Low120 Ų120119.5 Ų119.563%0.62862%0.616SS**Hα-helixtrans-68.8-37.5175.8-169.9138.1000112.4L7 L8 L13 F15L7-L11 WeakPolarHBondContact O-CB 3.01Å; L7-L11 PolarHBondContact O-N 3.29Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 2.76Å
12L74.3Confident66.1Low122 Ų122117.6 Ų117.664%0.63960%0.602SS**Hα-helixtrans-71.7-27.8178.1-155.1148.5000112.3L8 L9 P16L8-L12 VanDerWaalsContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.2Å; L9-L12 PolarHBondContact O-N 3.15Å; L12-P16 WeakPolarHBondContact O-CD 3.03Å
13L71.8Confident65.7Low114 Ų114116.6 Ų116.660%0.59760%0.6SS**Hα-helixtrans-85.2-31.9175.5-152147.1000112.3L9 L10 L11 P16 V17L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 PolarHBondContact O-N 3.45Å; L10-L13 PolarHBondContact O-N 2.89Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L13-P16 WeakPolarHBondContact O-CD 3.44Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å
14A71.6Confident64.9Low41 Ų41112.6 Ų112.634%0.33959%0.592SS.*Hα-helixtrans-75.9-32.3177.200000113.4L10 V17 T18L10-A14 VanDerWaalsContact O-CB 3.22Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.89Å; A14-V17 PolarHBondContact O-N 3.47Å; A14-T18 WeakPolarHBondContact O-CG2 3.36Å; A14-T18 PolarHBondContact O-N 2.86Å; A14-T18 PolarHBondContact O-OG1 2.78Å
15F67.4Low63.5Low138 Ų138111.5 Ų111.561%0.60559%0.593SS**Hα-helixtrans-58.3-49.2-178-168.5-103.1000114.4L11 V17 T18 I19L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 2.76Å; F15-V17 PolarHBondContact O-N 2.78Å; F15-T18 PolarHBondContact O-N 2.85Å; F15-T18 PolarHBondContact O-OG1 2.85Å; F15-I19 HydrophobicContact CD1-CD1 3.99Å; F15-I19 HydrophobicContact CE1-CD1 3.62Å; F15-I19 HydrophobicContact CZ-CD1 3.94Å; F15-I19 WeakPolarHBondContact O-CG1 3.25Å; F15-I19 PolarHBondContact O-N 3.32Å
16P65.9Low62.2Low70 Ų70114.4 Ų114.446%0.45561%0.609SS.*Hα-helixtrans-68-34.5177.626.4-34.2000112.5L12 L13 T18 I19 L20L12-P16 WeakPolarHBondContact O-CD 3.03Å; L13-P16 WeakPolarHBondContact O-CD 3.44Å; P16-T18 PolarHBondContact O-N 3.43Å; P16-I19 PolarHBondContact O-N 3.02Å; P16-L20 PolarHBondContact O-N 3.04Å; P16-L20 VanDerWaalsContact O-N 3.09Å
17V65.6Low60.7Low73 Ų73113.7 Ų113.744%0.44262%0.617SS.*Hα-helixtrans-65.7-38.5179.6177.50000111.3L13 A14 F15 I19 L20 I21L13-V17 WeakPolarHBondContact O-CG2 3.47Å; A14-V17 PolarHBondContact O-N 3.47Å; F15-V17 PolarHBondContact O-N 2.78Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 2.79Å; V17-L20 PolarHBondContact O-N 2.85Å; V17-I21 HydrophobicContact CG1-CD1 3.76Å; V17-I21 WeakPolarHBondContact O-CD1 3.42Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3Å; V17-I21 VanDerWaalsContact O-N 3.16Å
18T64.1Low59Low84 Ų84112.5 Ų112.552%0.51562%0.618SS.*Hα-helixtrans-71.6-2317854.80000114.2A14 F15 P16A14-T18 WeakPolarHBondContact O-CG2 3.36Å; A14-T18 PolarHBondContact O-N 2.86Å; A14-T18 PolarHBondContact O-OG1 2.78Å; F15-T18 PolarHBondContact O-N 2.85Å; F15-T18 PolarHBondContact O-OG1 2.85Å; P16-T18 PolarHBondContact O-N 3.43Å
19I63.4Low57.2Low76 Ų76111.8 Ų111.839%0.3963%0.628SS.*Hα-helixtrans-79.5-41.6174.7-65168.2000109.4F15 P16 V17 I21 K22 E23F15-I19 HydrophobicContact CD1-CD1 3.99Å; F15-I19 HydrophobicContact CE1-CD1 3.62Å; F15-I19 HydrophobicContact CZ-CD1 3.94Å; F15-I19 WeakPolarHBondContact O-CG1 3.25Å; F15-I19 PolarHBondContact O-N 3.32Å; P16-I19 PolarHBondContact O-N 3.02Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 2.79Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 PolarHBondContact O-N 3.05Å; I19-K22 PolarHBondContact O-N 2.91Å; I19-K22 VanDerWaalsContact O-N 3.17Å; I19-E23 PolarHBondContact O-N 2.89Å
20L57.2Low55.3Low139 Ų139115 Ų11573%0.72864%0.641SS**Hα-helixtrans-61.4-36.1177-136.195.4000113.4P16 V17P16-L20 PolarHBondContact O-N 3.04Å; P16-L20 VanDerWaalsContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 2.85Å
21I59.2Low53.4Low122 Ų122115.6 Ų115.663%0.62665%0.645SS**Hα-helixtrans-77-23.3-180-64.5165.5000111.8V17 I19V17-I21 HydrophobicContact CG1-CD1 3.76Å; V17-I21 WeakPolarHBondContact O-CD1 3.42Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3Å; V17-I21 VanDerWaalsContact O-N 3.16Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 PolarHBondContact O-N 3.05Å
22K50.3Low51.4Low187 Ų187117.5 Ų117.581%0.81366%0.655SS**Hα-helixtrans-84.8-17.8-176.3-155175.9-179.1-175.80113.3I19I19-K22 PolarHBondContact O-N 2.91Å; I19-K22 VanDerWaalsContact O-N 3.17Å
23E44.9Very low49.5Very low160 Ų160115.9 Ų115.975%0.74865%0.65SS**SBendtrans-100.21.6178.4-69.5179.4176.100113.5I19 P25I19-E23 PolarHBondContact O-N 2.89Å; E23-P25 WeakPolarHBondContact O-CD 3.39Å
24C41.7Very low47.7Very low88 Ų88118.4 Ų118.460%0.59566%0.658SS**SBendtrans-97.7111.5176.8-143.60000110.2V26C24-V26 PolarHBondContact O-N 2.83Å
25P37.5Very low45.9Very low110 Ų110122.8 Ų122.871%0.71468%0.676SS**  trans-69.8115.9169.928.2-28.5000108E23 V27E23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-V27 PolarHBondContact O-N 3.45Å
26V39.7Very low44.4Very low139 Ų139123.8 Ų123.884%0.84268%0.683SS**  trans-59.7105.1176.3176.10000109C24 S28C24-V26 PolarHBondContact O-N 2.83Å; V26-S28 PolarHBondContact O-N 2.97Å
27V37.2Very low43Very low135 Ų135128.9 Ų128.982%0.81870%0.701SS**  trans-77.9102.8165.1179.20000107P25 A29P25-V27 PolarHBondContact O-N 3.45Å; V27-A29 PolarHBondContact O-N 2.77Å
28S36.7Very low41.4Very low92 Ų92129 Ų12964%0.64371%0.709SS**  trans-75.1102169.8175.80000108.6V26 Q30V26-S28 PolarHBondContact O-N 2.97Å; S28-Q30 PolarHBondContact O-N 2.88Å
29A33.7Very low39.9Very low98 Ų98133.7 Ų133.781%0.8173%0.725SS**  trans-74.4108.5166.200000108.8V27V27-A29 PolarHBondContact O-N 2.77Å
30Q32.1Very low38.4Very low182 Ų182134.2 Ų134.285%0.8574%0.741SS**  trans-85.3117.9165.8-85.8177.8-31.100109.1S28S28-Q30 PolarHBondContact O-N 2.88Å
31D34.2Very low37.2Very low138 Ų138133.4 Ų133.474%0.73874%0.741SS**  trans-16.2125.7150.1-171.522.1000116.8
32L31.1Very low35.9Very low160 Ų160133.9 Ų133.984%0.83875%0.745SS**  trans-156.289.9147.7-84.9-178.1000109.3
33T33.8Very low35.3Very low87 Ų87133.1 Ų133.153%0.53474%0.744SS.*  41139124.959.30000122.8
34E34.7Very low34.6Very low167 Ų167133.1 Ų133.178%0.7875%0.75SS**  trans79.4131.2153.1-66.5163.5-16600116.1
35D32.5Very low34.3Very low134 Ų134135 Ų13572%0.71776%0.758SS**  cis-162.5150.55.6-98-29.4000110.3
36E36.9Very low34.2Very low158 Ų158136.8 Ų136.874%0.73877%0.767SS**  trans35.1130.2144.9-74.6-170.5154.100124.8
37E36.1Very low33.8Very low178 Ų178137.2 Ų137.283%0.83276%0.764SS**  trans68.7139.9131.4-70-154.9167.100119.5
38A32Very low33.5Very low76 Ų76137.7 Ų137.763%0.62876%0.762SS**  cis-163.2154.210.200000110.3
39E33.2Very low33.3Very low182 Ų182138 Ų13885%0.8576%0.76SS**  trans62.5114.3141.5-73.3-164.8162.200120.7
40A31.9Very low33Very low86 Ų86139.9 Ų139.971%0.71176%0.762SS**  85.8133.380.900000109.8
41V31.4Very low33.4Very low123 Ų123135.9 Ų135.975%0.74576%0.76SS**  cis-169.7149.228.9140.80000107.4
42D31.4Very low33.4Very low132 Ų132138.7 Ų138.771%0.70677%0.768SS**  trans35.6125.3148.9-59.8-25.2000121.2
43E38.4Very low33.6Very low170 Ų170138.8 Ų138.879%0.79477%0.77SS**  65101.373.1-141.5-175.7-145.400111.8
44D31.2Very low33.6Very low161 Ų161144 Ų14486%0.86179%0.788SS**  trans-166.9126130.5-99.1-28.8000111.8
45V35.8Very low33.6Very low128 Ų128143.8 Ų143.878%0.77679%0.792SS**  trans-94.7126.3172.2168.20000107.3
46V34.2Very low33.7Very low146 Ų146145.5 Ų145.589%0.88580%0.801SS**  trans-147.9127.8145.7-79.20000110.9
47D32.4Very low33.8Very low148 Ų148146.5 Ų146.579%0.79181%0.806SS**  trans-86138174.3-171.423.4000108.7
48D29.6Very low33.7Very low146 Ų146142.3 Ų142.378%0.78180%0.802SS**  trans-173.5105.6139.3-145.726.4000112.8
49V32.3Very low34Very low99 Ų99147.6 Ų147.660%0.681%0.814SS**  43.9118.8123.7-161.70000119.4
50T29.1Very low34.3Very low137 Ų137145.6 Ų145.684%0.8481%0.814SS**  168.7129.2111.730.20000110.6
51A39.1Very low34.5Very low98 Ų98150 Ų15081%0.8182%0.819SS**  trans-95.8129.8166.600000108.3
52E35.3Very low34.6Very low197 Ų197151.5 Ų151.592%0.92182%0.823SS**  trans-141.6132.3149.1-71.9-151.6168.100108.7
53D33.8Very low34.6Very low161 Ų161152.6 Ų152.686%0.86183%0.829SS**  trans-66152176.5-63-59.9000111.7
54E34.8Very low34.5Very low198 Ų198153.6 Ų153.693%0.92583%0.834SS**  trans-163.1118.2138.2-109.2171.3-166.800109.9
55D34.9Very low34.6Very low162 Ų162152.2 Ų152.287%0.86683%0.827SS**  trans-60.6139.3166.3-77.6-44.8000110.3
56D33.5Very low34.6Very low169 Ų169152 Ų15290%0.90483%0.826SS**  trans-148.8124.2147.4-129.2-9.6000111.2
57E39Very low34.7Very low179 Ų179153.1 Ų153.184%0.83682%0.821SS**  trans-73.2138.8179.6-64.4-142.6166.900111.8
58A35.2Very low35Very low91 Ų91153.4 Ų153.475%0.75282%0.822SS**  trans-149.2101.1157.200000110.5
59E37.8Very low35.2Very low186 Ų186152 Ų15287%0.86982%0.819SS**  trans-54.6128.6157.4-73.3-178.5147.900110.2
60V38.9Very low35.6Very low140 Ų140156.5 Ų156.585%0.84883%0.833SS**  trans-136.9102.5152.4-72.70000108.6
61E36Very low36.2Very low179 Ų179158.4 Ų158.484%0.83683%0.833SS**  trans-74.9133.1154.7-67.1-167.7154.700108
62D33.4Very low36.5Very low154 Ų154162.9 Ų162.982%0.82483%0.834SS**  trans175.197.3131.3-86.3-24.3000110.5
63D32.9Very low36.8Very low155 Ų155160.3 Ų160.383%0.82983%0.826SS**  35.9100.6122.9-130.62.1000119.5
64E35Very low37Very low192 Ų192161.3 Ų161.390%0.89783%0.826SS**  trans-139.6102.3148.2-93.5-169.417200111.6T66E64-T66 PolarHBondContact O-N 3.3Å
65N34.3Very low37.3Very low132 Ų132160.6 Ų160.671%0.70682%0.823SS**  trans-22.7111.4157.7-177.99.2000115.6E67N65-E67 PolarHBondContact OD1-N 2.81Å
66T35Very low37.8Very low124 Ų124161.3 Ų161.376%0.76182%0.821SS**  trans-128.287.4156.531.10000110E64 L68E64-T66 PolarHBondContact O-N 3.3Å; T66-L68 VanDerWaalsContact C-N 3.35Å; T66-L68 PolarHBondContact O-N 2.82Å
67E36.8Very low38.2Very low168 Ų168161.1 Ų161.179%0.78581%0.814SS**  trans-5191.7159.6-172.3176.1-176.200110.1N65 T69N65-E67 PolarHBondContact OD1-N 2.81Å; E67-T69 PolarHBondContact O-N 2.83Å
68L38.1Very low38.2Very low154 Ų154156.5 Ų156.581%0.80681%0.807SS**  trans-81.6107.4166.6-84.3160.8000107.7T66 E70T66-L68 VanDerWaalsContact C-N 3.35Å; T66-L68 PolarHBondContact O-N 2.82Å; L68-E70 PolarHBondContact O-N 3.21Å
69T34.9Very low38.6Very low118 Ų118159.4 Ų159.472%0.72481%0.809SS**  trans-53.297.4168.746.10000110.9E67 E71E67-T69 PolarHBondContact O-N 2.83Å; T69-E71 PolarHBondContact O-N 3.19Å; T69-E71 VanDerWaalsContact O-N 3.12Å
70E40.1Very low39Very low192 Ų192156.6 Ų156.690%0.89780%0.804SS**  trans-74.573.9156.9-71.5-177164.500108.4L68L68-E70 PolarHBondContact O-N 3.21Å
71E42Very low39.4Very low177 Ų177152.4 Ų152.483%0.82779%0.789SS**  trans-13566169.7-70.6-167.4-179.500108.9T69T69-E71 PolarHBondContact O-N 3.19Å; T69-E71 VanDerWaalsContact O-N 3.12Å
72K43.9Very low40.6Very low192 Ų192151.1 Ų151.184%0.83578%0.783SS**SBendtrans-160.325.7161.3-136.4-172.9169.5-174.50117.7
73D41.8Very low42.8Very low143 Ų143146.5 Ų146.577%0.76576%0.761SS**SBendtrans-119.4-0.5173.6-71.1-27.7000113.6
74E39.2Very low45.4Very low182 Ų182145.5 Ų145.585%0.8575%0.749SS**SBendtrans-87.9-9.9-176.9-65.5-169.7160.200114.7
75E40.4Very low48.2Very low183 Ų183138.4 Ų138.486%0.85572%0.723SS**SBendtrans-91-13.3-179.6-72.2-171.3165.800114.4
76E45.3Very low51Low178 Ų178132.5 Ų132.583%0.83269%0.692SS**SBendtrans-89.5-18.1174.8-71.8-165.9167.400113.5A78E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.45Å
77E42.8Very low53.7Low164 Ų164132.1 Ų132.177%0.76669%0.692SS**G310 helixtrans-81.7-8.5179.1-65.5-128.9150.800113.8L79E77-L79 PolarHBondContact O-N 2.88Å
78A38Very low56.4Low82 Ų82127.8 Ų127.868%0.67867%0.674SS**G310 helixtrans-880.4-172.800000115.5E76E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.45Å
79L44.1Very low59.1Low152 Ų152120.9 Ų120.980%0.79664%0.639SS**G310 helixtrans-110.614.6178.4-68.3177.4000114.3E77 G81E77-L79 PolarHBondContact O-N 2.88Å; L79-G81 PolarHBondContact O-N 3.18Å
80V46.3Very low62Low128 Ų128118.7 Ų118.778%0.77662%0.623SS**  trans-81.746.3170.5-159.20000110.6
81G47.8Very low64.7Low51 Ų51111.2 Ų111.253%0.52659%0.59SS.*SBendtrans-68.4126.9153.100000106.1L79 V83L79-G81 PolarHBondContact O-N 3.18Å; G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 VanDerWaalsContact O-CG2 3.26Å; G81-V83 WeakPolarHBondContact O-CG2 3.43Å; G81-V83 PolarHBondContact O-N 2.91Å
82E60.4Low67.2Low153 Ų153107.2 Ų107.272%0.71558%0.578SS**  trans-49.696.6176.7-72.3-176.3150.600109.9K84E82-K84 PolarHBondContact O-N 3.2Å; E82-K84 WeakPolarHBondContact OE2-CE 3.34Å; E82-K84 IonicContact OE2-NZ 2.57Å; E82-K84 PolarHBondContact OE2-NZ 2.92Å
83V79.5Confident69.7Low57 Ų5799.8 Ų99.835%0.34555%0.547SS..  trans-72.9107.8179.3-169.20000105.5G81 V190 Q192G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 VanDerWaalsContact O-CG2 3.26Å; G81-V83 WeakPolarHBondContact O-CG2 3.43Å; G81-V83 PolarHBondContact O-N 2.91Å; V83-V190 HydrophobicContact CG1-CG1 4.32Å; V83-V190 WeakPolarHBondContact CG1-O 3.14Å; V83-Q192 HydrophobicContact CB-CB 3.87Å; V83-Q192 HydrophobicContact CG1-CB 3.67Å; V83-Q192 VanDerWaalsContact CG1-N 3.33Å
84K88.4Confident72.3Confident134 Ų13498.4 Ų98.458%0.58354%0.539SS*.PPolyproline II helixtrans-95.7160.2-176-75.8173.9-178.2165.50110.7E82 F191 Q192E82-K84 PolarHBondContact O-N 3.2Å; E82-K84 WeakPolarHBondContact OE2-CE 3.34Å; E82-K84 IonicContact OE2-NZ 2.57Å; E82-K84 PolarHBondContact OE2-NZ 2.92Å; K84-F191 WeakPolarHBondContact O-CD1 3.49Å; K84-Q192 CarbonylContact C-O 3.53Å; K84-Q192 PolarHBondContact O-N 3.02Å
85A92.9Very high75Confident43 Ų4390.9 Ų90.936%0.35550%0.504SS..PPolyproline II helixtrans-65.7141.3170.700000110.2Q192 D193A85-Q192 WeakPolarHBondContact CA-O 3.19Å; A85-Q192 PolarHBondContact N-O 3Å; A85-D193 HydrophobicContact CB-CB 3.81Å
86S92.8Very high77.4Confident7 Ų786.1 Ų86.15%0.04949%0.487CS..PPolyproline II helixtrans-69136.1172.6-178.70000110.1N88 A89 Y183S86-N88 PolarHBondContact O-N 2.88Å; S86-N88 VanDerWaalsContact O-N 3.09Å; S86-N88 PolarHBondContact OG-N 3.27Å; S86-A89 PolarHBondContact O-N 2.98Å; S86-Y183 PolarHBondContact N-OH 2.93Å
87P92.8Very high79.5Confident117 Ų11784.3 Ų84.376%0.7648%0.476SS*.THydrogen-bonded Turntrans-65.7-11.7174.828.7-36000113.3
88N93.8Very high81.7Confident77 Ų7778.2 Ų78.241%0.41246%0.457SS..THydrogen-bonded Turntrans-100.15.6-178.4-65.2-34.6000113.1S86 K116 G117 F121S86-N88 PolarHBondContact O-N 2.88Å; S86-N88 VanDerWaalsContact O-N 3.09Å; S86-N88 PolarHBondContact OG-N 3.27Å; N88-K116 WeakPolarHBondContact O-CA 3.42Å; N88-K116 WeakPolarHBondContact O-CB 3.1Å; N88-K116 PolarHBondContact O-N 2.97Å; N88-G117 PolarHBondContact O-N 2.65Å; N88-F121 HydrophobicContact CB-CE2 4.2Å; N88-F121 HydrophobicContact CB-CZ 4.15Å
89A94.7Very high84Confident9 Ų982.1 Ų82.17%0.07446%0.462CS..EExtended strand (participates in β ladder)trans-120.6132.717700000109.6S86 F113 F121 Y183S86-A89 PolarHBondContact O-N 2.98Å; A89-F113 HydrophobicContact CB-CE2 3.69Å; A89-F113 HydrophobicContact CB-CZ 3.79Å; A89-F121 HydrophobicContact CB-CE2 4.36Å; A89-Y183 HydrophobicContact CB-CE2 3.85Å
90D95.6Very high86.1Confident71 Ų7180.4 Ų80.438%0.3845%0.453SS..EExtended strand (participates in β ladder)trans-112.4127.8171.5-95.242.3000108.9T114 K116D90-T114 PolarHBondContact N-O 3.37Å; D90-T114 PolarHBondContact O-N 3.09Å; D90-K116 VanDerWaalsContact OD1-CE 3.26Å; D90-K116 WeakPolarHBondContact OD1-CE 3.26Å; D90-K116 IonicContact OD1-NZ 2.81Å; D90-K116 PolarHBondContact OD1-NZ 2.91Å; D90-K116 WeakPolarHBondContact OD2-CE 3.11Å; D90-K116 IonicContact OD2-NZ 3.67Å; D90-K116 PolarHBondContact OD2-NZ 2.77Å
91T95.9Very high88.3Confident36 Ų3674.5 Ų74.522%0.22142%0.417CS..EExtended strand (participates in β ladder)trans-110151.1173.262.10000110.9G112 F113 L181 D193 V195T91-G112 CarbonylContact C-O 3.59Å; T91-G112 VanDerWaalsContact CA-O 3.29Å; T91-G112 WeakPolarHBondContact CA-O 3.38Å; T91-F113 HydrophobicContact CG2-CD2 3.97Å; T91-L181 HydrophobicContact CG2-CD2 3.96Å; T91-D193 WeakPolarHBondContact CB-OD2 3.22Å; T91-D193 HydrophobicContact CG2-CB 4.36Å; T91-D193 WeakPolarHBondContact CG2-OD2 3.28Å; T91-D193 PolarHBondContact OG1-OD2 2.75Å; T91-V195 HydrophobicContact CG2-CG2 3.9Å
92T95.3Very high90.5Very high93 Ų9373.6 Ų73.657%0.57140%0.402SS*.EExtended strand (participates in β ladder)trans-144.2151.7173.2-161.20000109.3L111 G112T92-L111 CarbonylContact O-C 3.56Å; T92-L111 WeakPolarHBondContact O-CA 3.37Å; T92-G112 PolarHBondContact N-O 2.56Å; T92-G112 PolarHBondContact O-N 2.87Å
93I95.8Very high92Very high36 Ų3666.6 Ų66.619%0.18537%0.37CS..EExtended strand (participates in β ladder)trans-131.1141.9179.9-169.4171.8000110.7F95 F109 L110 I179 V195 F196I93-F95 HydrophobicContact CD1-CE2 4.24Å; I93-F95 HydrophobicContact CD1-CZ 3.96Å; I93-F109 HydrophobicContact CD1-CB 4.4Å; I93-F109 HydrophobicContact CD1-CD2 3.76Å; I93-F109 HydrophobicContact CD1-CE2 4.1Å; I93-F109 HydrophobicContact CD1-CG 4.04Å; I93-F109 HydrophobicContact CG1-CB 4.23Å; I93-F109 HydrophobicContact CG1-CD2 3.91Å; I93-F109 HydrophobicContact CG1-CG 4.27Å; I93-L110 CarbonylContact C-O 3.56Å; I93-L110 WeakPolarHBondContact CA-O 3.48Å; I93-I179 HydrophobicContact CD1-CD1 3.48Å; I93-I179 VanDerWaalsContact CD1-CD1 3.48Å; I93-V195 HydrophobicContact CB-CG1 3.9Å; I93-V195 HydrophobicContact CG2-CG1 4.24Å; I93-F196 HydrophobicContact CD1-CB 3.99Å; I93-F196 HydrophobicContact CD1-CG 4.47Å; I93-F196 HydrophobicContact CG2-CD2 4.16Å
94L95.9Very high92.6Very high113 Ų11368.7 Ų68.759%0.59238%0.38SS*.EExtended strand (participates in β ladder)trans-137118.3175.9-179.871.5000110.2F109 L110L94-F109 CarbonylContact O-C 3.54Å; L94-F109 VanDerWaalsContact O-CA 3.23Å; L94-F109 WeakPolarHBondContact O-CA 3.13Å; L94-F109 WeakPolarHBondContact O-CB 3.42Å; L94-L110 PolarHBondContact N-O 2.99Å; L94-L110 PolarHBondContact O-N 2.96Å
95F95.7Very high92.8Very high25 Ų2564.7 Ų64.711%0.1137%0.365CS..EExtended strand (participates in β ladder)trans-78.9127.3171.7-66.2-82000110.9I93 K97 G98 F101 V107 F109 L177 I179 F196I93-F95 HydrophobicContact CD1-CE2 4.24Å; I93-F95 HydrophobicContact CD1-CZ 3.96Å; F95-K97 PolarHBondContact O-N 3.12Å; F95-G98 WeakPolarHBondContact CB-O 3.38Å; F95-F101 AromaticContact CD1-CE1 3.9Å; F95-F101 HydrophobicContact CD1-CE1 3.9Å; F95-F101 AromaticContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD2-CZ 4.48Å; F95-F101 AromaticContact CE1-CE1 3.55Å; F95-F101 HydrophobicContact CE1-CE1 3.55Å; F95-F101 AromaticContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE2-CZ 4.19Å; F95-F101 HydrophobicContact CG-CZ 4.4Å; F95-F101 HydrophobicContact CZ-CE1 4.09Å; F95-F101 AromaticContact CZ-CZ 3.78Å; F95-F101 HydrophobicContact CZ-CZ 3.78Å; F95-V107 HydrophobicContact CD1-CG1 4.32Å; F95-F109 HydrophobicContact CD1-CB 3.68Å; F95-F109 HydrophobicContact CD1-CD1 4.35Å; F95-F109 HydrophobicContact CD1-CG 4.42Å; F95-F109 HydrophobicContact CE1-CB 3.96Å; F95-F109 AromaticContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CG 4.23Å; F95-F109 HydrophobicContact CG-CB 4.26Å; F95-L177 HydrophobicContact CE1-CD2 4.32Å; F95-L177 HydrophobicContact CZ-CD2 4.09Å; F95-I179 HydrophobicContact CE1-CD1 4.5Å; F95-I179 HydrophobicContact CZ-CD1 4.24Å; F95-F196 HydrophobicContact CE2-CD2 4.01Å; F95-F196 AromaticContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CZ 4.06Å; F95-F196 HydrophobicContact CZ-CD1 4.42Å; F95-F196 HydrophobicContact CZ-CD2 4.3Å; F95-F196 HydrophobicContact CZ-CE1 4.37Å; F95-F196 HydrophobicContact CZ-CE2 4.25Å; F95-F196 HydrophobicContact CZ-CG 4.38Å; F95-F196 HydrophobicContact CZ-CZ 4.27Å
96V92.8Very high92.8Very high82 Ų8266.3 Ų66.350%0.49737%0.366SS..THydrogen-bonded Turntrans-70.9-35.1-170.9179.20000112.2K108 L110V96-K108 HydrophobicContact CB-CB 4.2Å; V96-K108 HydrophobicContact CG2-CB 4.08Å; V96-K108 PolarHBondContact N-O 3.41Å; V96-L110 HydrophobicContact CG2-CG 4.19Å
97K88.8Confident92.9Very high140 Ų14066.4 Ų66.461%0.60937%0.367SS*.THydrogen-bonded Turntrans-101.311.8-177.6-68.1-177.4179.3169.50113.4F95 I106F95-K97 PolarHBondContact O-N 3.12Å; K97-I106 PolarHBondContact NZ-O 3.45Å
98G87.9Confident93Very high36 Ų3664.3 Ų64.337%0.37135%0.346SS..  trans88.8-165.8-172.200000112.9F95 D100F95-G98 WeakPolarHBondContact CB-O 3.38Å; G98-D100 VanDerWaalsContact C-N 3.32Å
99E86.3Confident93.1Very high165 Ų16560.7 Ų60.777%0.77133%0.326SS*.SBendtrans-93.512.6-174.9-62.5179.5179.200113.2F101E99-F101 WeakPolarHBondContact O-CD2 3.45Å; E99-F101 WeakPolarHBondContact O-CE2 3.12Å
100D88.9Confident93.2Very high116 Ų11663 Ų6362%0.6234%0.337SS*.  trans-89.2126.2173.8-65.5-39.4000110G98 P102G98-D100 VanDerWaalsContact C-N 3.32Å; D100-P102 WeakPolarHBondContact O-CD 3.5Å
101F93.5Very high93.3Very high4 Ų459.7 Ų59.72%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-112.883.8-177.3-62.9-90.9000110.4F95 E99 V107 F164 L177 V200 I202 T203F95-F101 AromaticContact CD1-CE1 3.9Å; F95-F101 HydrophobicContact CD1-CE1 3.9Å; F95-F101 AromaticContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD2-CZ 4.48Å; F95-F101 AromaticContact CE1-CE1 3.55Å; F95-F101 HydrophobicContact CE1-CE1 3.55Å; F95-F101 AromaticContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE2-CZ 4.19Å; F95-F101 HydrophobicContact CG-CZ 4.4Å; F95-F101 HydrophobicContact CZ-CE1 4.09Å; F95-F101 AromaticContact CZ-CZ 3.78Å; F95-F101 HydrophobicContact CZ-CZ 3.78Å; E99-F101 WeakPolarHBondContact O-CD2 3.45Å; E99-F101 WeakPolarHBondContact O-CE2 3.12Å; F101-V107 HydrophobicContact CB-CG2 4.48Å; F101-V107 HydrophobicContact CD1-CB 4.41Å; F101-V107 HydrophobicContact CD1-CG1 3.67Å; F101-V107 HydrophobicContact CD1-CG2 3.95Å; F101-V107 HydrophobicContact CE1-CG1 3.73Å; F101-F164 HydrophobicContact CD1-CZ 4.19Å; F101-F164 HydrophobicContact CE1-CZ 4.22Å; F101-L177 HydrophobicContact CE1-CD2 3.79Å; F101-L177 HydrophobicContact CZ-CD2 4.04Å; F101-V200 HydrophobicContact CD2-CB 3.72Å; F101-V200 HydrophobicContact CD2-CG1 4.08Å; F101-V200 HydrophobicContact CD2-CG2 4.16Å; F101-V200 HydrophobicContact CE2-CB 3.71Å; F101-V200 HydrophobicContact CE2-CG1 3.51Å; F101-V200 HydrophobicContact CE2-CG2 4.34Å; F101-V200 HydrophobicContact CG-CB 4.41Å; F101-V200 HydrophobicContact CG-CG2 4.36Å; F101-V200 HydrophobicContact CZ-CB 4.39Å; F101-V200 HydrophobicContact CZ-CG1 3.9Å; F101-I202 HydrophobicContact CB-CD1 3.59Å; F101-I202 HydrophobicContact CG-CD1 4.42Å; F101-I202 CarbonylContact O-C 3.58Å; F101-I202 VanDerWaalsContact O-CA 3.25Å; F101-I202 WeakPolarHBondContact O-CA 3.26Å; F101-I202 WeakPolarHBondContact O-CG2 3.47Å; F101-T203 PolarHBondContact O-N 3.27Å; F101-T203 PolarHBondContact O-OG1 3.4Å
102P92.8Very high93.4Very high32 Ų3258.4 Ų58.421%0.20831%0.313CS..EExtended strand (participates in β ladder)trans-69.7134.4-179.926.7-33.9000112D100 N105 T203D100-P102 WeakPolarHBondContact O-CD 3.5Å; P102-N105 HydrophobicContact CB-CB 3.9Å; P102-N105 HydrophobicContact CG-CB 3.64Å; P102-T203 CarbonylContact C-O 3.55Å; P102-T203 WeakPolarHBondContact CA-O 3.46Å; P102-T203 WeakPolarHBondContact CA-OG1 3.46Å
103A92.6Very high93.5Very high5 Ų554 Ų544%0.04129%0.286CS..THydrogen-bonded Turntrans-59.6146170.100000110.6N105 I202 T203A103-N105 PolarHBondContact O-N 2.8Å; A103-N105 PolarHBondContact O-ND2 2.87Å; A103-N105 VanDerWaalsContact O-ND2 3.16Å; A103-I202 HydrophobicContact CB-CG2 3.8Å; A103-T203 PolarHBondContact N-O 3.2Å
104N91.6Very high93.5Very high102 Ų10254.3 Ų54.355%0.54529%0.29SS..THydrogen-bonded Turntrans54.624178.8-159.520.6000114.4P166 E168N104-P166 PolarHBondContact N-O 2.81Å; N104-E168 HydrophobicContact CB-CB 4.32Å
105N92Very high93.6Very high50 Ų5049 Ų4927%0.26726%0.262SS..SBendtrans-130.8151.5179.6-82-66.6000110.8P102 A103 V107 P166P102-N105 HydrophobicContact CB-CB 3.9Å; P102-N105 HydrophobicContact CG-CB 3.64Å; A103-N105 PolarHBondContact O-N 2.8Å; A103-N105 PolarHBondContact O-ND2 2.87Å; A103-N105 VanDerWaalsContact O-ND2 3.16Å; N105-V107 PolarHBondContact O-N 2.57Å; N105-P166 VanDerWaalsContact O-CD 3.3Å; N105-P166 WeakPolarHBondContact O-CD 3.1Å
106I93.7Very high93.6Very high77 Ų7753.8 Ų53.840%0.39528%0.283SS..  trans-72.7116.3-179.9-55.5171.3000109.6K97 K108 I165K97-I106 PolarHBondContact NZ-O 3.45Å; I106-K108 HydrophobicContact CG2-CG 3.78Å; I106-I165 HydrophobicContact CB-CG1 4.5Å; I106-I165 HydrophobicContact CG1-CD1 3.96Å; I106-I165 HydrophobicContact CG1-CG1 3.86Å
107V94.7Very high93.5Very high9 Ų950.3 Ų50.36%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-90.6133.4165.3178.70000107.8F95 F101 N105 S163 F164 P166F95-V107 HydrophobicContact CD1-CG1 4.32Å; F101-V107 HydrophobicContact CB-CG2 4.48Å; F101-V107 HydrophobicContact CD1-CB 4.41Å; F101-V107 HydrophobicContact CD1-CG1 3.67Å; F101-V107 HydrophobicContact CD1-CG2 3.95Å; F101-V107 HydrophobicContact CE1-CG1 3.73Å; N105-V107 PolarHBondContact O-N 2.57Å; V107-S163 CarbonylContact O-C 3.59Å; V107-S163 WeakPolarHBondContact O-CA 3.24Å; V107-S163 WeakPolarHBondContact O-CB 3.32Å; V107-F164 HydrophobicContact CB-CD1 4.44Å; V107-F164 HydrophobicContact CB-CD2 4.45Å; V107-F164 HydrophobicContact CB-CE1 4.08Å; V107-F164 HydrophobicContact CB-CE2 4.12Å; V107-F164 HydrophobicContact CB-CZ 3.92Å; V107-F164 HydrophobicContact CG1-CE1 3.76Å; V107-F164 HydrophobicContact CG1-CE2 4.36Å; V107-F164 HydrophobicContact CG1-CZ 3.69Å; V107-F164 HydrophobicContact CG2-CE2 4.36Å; V107-F164 HydrophobicContact CG2-CZ 4.46Å; V107-F164 PolarHBondContact N-O 2.74Å; V107-F164 PolarHBondContact O-N 2.99Å; V107-P166 HydrophobicContact CG2-CG 4Å
108K95.6Very high93.7Very high73 Ų7347.2 Ų47.232%0.31727%0.271SS..EExtended strand (participates in β ladder)trans-128.4139.4-179.8-62.4-165.9161.1-1530110.7V96 I106 E161 Y162V96-K108 HydrophobicContact CB-CB 4.2Å; V96-K108 HydrophobicContact CG2-CB 4.08Å; V96-K108 PolarHBondContact N-O 3.41Å; I106-K108 HydrophobicContact CG2-CG 3.78Å; K108-E161 IonicContact NZ-OE1 3.23Å; K108-E161 PolarHBondContact NZ-OE1 2.84Å; K108-Y162 WeakPolarHBondContact CA-O 3.45Å
109F96.3Very high94Very high0 Ų049.4 Ų49.40%027%0.272CS..EExtended strand (participates in β ladder)trans-139.5158.5170.663.9-97.8000111.7I93 L94 F95 L111 L126 Y162 F164 I179I93-F109 HydrophobicContact CD1-CB 4.4Å; I93-F109 HydrophobicContact CD1-CD2 3.76Å; I93-F109 HydrophobicContact CD1-CE2 4.1Å; I93-F109 HydrophobicContact CD1-CG 4.04Å; I93-F109 HydrophobicContact CG1-CB 4.23Å; I93-F109 HydrophobicContact CG1-CD2 3.91Å; I93-F109 HydrophobicContact CG1-CG 4.27Å; L94-F109 CarbonylContact O-C 3.54Å; L94-F109 VanDerWaalsContact O-CA 3.23Å; L94-F109 WeakPolarHBondContact O-CA 3.13Å; L94-F109 WeakPolarHBondContact O-CB 3.42Å; F95-F109 HydrophobicContact CD1-CB 3.68Å; F95-F109 HydrophobicContact CD1-CD1 4.35Å; F95-F109 HydrophobicContact CD1-CG 4.42Å; F95-F109 HydrophobicContact CE1-CB 3.96Å; F95-F109 AromaticContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CG 4.23Å; F95-F109 HydrophobicContact CG-CB 4.26Å; F109-L111 HydrophobicContact CD2-CB 4.49Å; F109-L111 HydrophobicContact CE2-CB 4.39Å; F109-L126 HydrophobicContact CE2-CD1 4.09Å; F109-L126 HydrophobicContact CE2-CD2 4.39Å; F109-L126 HydrophobicContact CZ-CD2 4Å; F109-Y162 HydrophobicContact CD1-CD1 4.4Å; F109-Y162 AromaticContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CD1 3.42Å; F109-Y162 VanDerWaalsContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CE1 4.27Å; F109-Y162 HydrophobicContact CE1-CG 4.23Å; F109-Y162 HydrophobicContact CE2-CD1 4.4Å; F109-Y162 HydrophobicContact CE2-CG 4.47Å; F109-Y162 AromaticContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CD1 3.41Å; F109-Y162 VanDerWaalsContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CE1 4.35Å; F109-Y162 AromaticContact CZ-CG 3.86Å; F109-Y162 HydrophobicContact CZ-CG 3.86Å; F109-Y162 PolarHBondContact N-O 2.78Å; F109-Y162 PolarHBondContact O-N 3.18Å; F109-F164 HydrophobicContact CD1-CD1 4.43Å; F109-F164 HydrophobicContact CD1-CE1 4.03Å; F109-F164 AromaticContact CE1-CD1 3.99Å; F109-F164 HydrophobicContact CE1-CD1 3.99Å; F109-F164 AromaticContact CE1-CE1 3.81Å; F109-F164 HydrophobicContact CE1-CE1 3.81Å; F109-I179 HydrophobicContact CD1-CD1 4.07Å; F109-I179 HydrophobicContact CE1-CD1 3.52Å; F109-I179 HydrophobicContact CE1-CG1 4.32Å; F109-I179 HydrophobicContact CE2-CD1 4.16Å; F109-I179 HydrophobicContact CE2-CG2 4.06Å; F109-I179 HydrophobicContact CZ-CD1 3.57Å; F109-I179 HydrophobicContact CZ-CG1 4.13Å; F109-I179 HydrophobicContact CZ-CG2 3.79Å
110L96.7Very high94.5Very high59 Ų5945.2 Ų45.231%0.30926%0.255SS..EExtended strand (participates in β ladder)trans-109.4126.5172.7-63.6172.6000108.1I93 L94 V96 T159 F160 E161I93-L110 CarbonylContact C-O 3.56Å; I93-L110 WeakPolarHBondContact CA-O 3.48Å; L94-L110 PolarHBondContact N-O 2.99Å; L94-L110 PolarHBondContact O-N 2.96Å; V96-L110 HydrophobicContact CG2-CG 4.19Å; L110-T159 HydrophobicContact CB-CG2 4.14Å; L110-T159 HydrophobicContact CD2-CG2 4.38Å; L110-F160 CarbonylContact C-O 3.54Å; L110-F160 WeakPolarHBondContact CA-O 3.25Å; L110-E161 HydrophobicContact CD2-CB 3.75Å; L110-E161 HydrophobicContact CD2-CG 4.06Å
111L97.3Very high94.9Very high0 Ų039.8 Ų39.80%023%0.225CC..EExtended strand (participates in β ladder)trans-104.7120173-174.5149000108.6T92 F109 F113 L126 T159 F160 L181 V195T92-L111 CarbonylContact O-C 3.56Å; T92-L111 WeakPolarHBondContact O-CA 3.37Å; F109-L111 HydrophobicContact CD2-CB 4.49Å; F109-L111 HydrophobicContact CE2-CB 4.39Å; L111-F113 HydrophobicContact CD2-CB 4.42Å; L111-L126 HydrophobicContact CB-CD1 4.2Å; L111-L126 HydrophobicContact CD1-CD1 3.81Å; L111-T159 CarbonylContact O-C 3.52Å; L111-T159 VanDerWaalsContact O-CA 3.26Å; L111-T159 WeakPolarHBondContact O-CA 3.46Å; L111-F160 HydrophobicContact CD2-CD2 4.05Å; L111-F160 PolarHBondContact N-O 3.23Å; L111-F160 PolarHBondContact O-N 3.34Å; L111-L181 HydrophobicContact CD1-CB 4.38Å; L111-L181 HydrophobicContact CD1-CD1 4.2Å; L111-L181 HydrophobicContact CD2-CD1 3.94Å; L111-L181 HydrophobicContact CD2-CD2 3.81Å; L111-L181 HydrophobicContact CD2-CG 4.41Å; L111-V195 HydrophobicContact CD1-CB 4.08Å; L111-V195 HydrophobicContact CD1-CG1 3.98Å; L111-V195 HydrophobicContact CD1-CG2 3.83Å; L111-V195 HydrophobicContact CG-CG1 4.39Å
112G96.8Very high95Very high9 Ų942.7 Ų42.79%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-93.9131.9170.900000110.4T91 T92 A158T91-G112 CarbonylContact C-O 3.59Å; T91-G112 VanDerWaalsContact CA-O 3.29Å; T91-G112 WeakPolarHBondContact CA-O 3.38Å; T92-G112 PolarHBondContact N-O 2.56Å; T92-G112 PolarHBondContact O-N 2.87Å; G112-A158 WeakPolarHBondContact CA-O 3.3Å
113F97.5Very high95.2Very high0 Ų041.2 Ų41.20%023%0.23CC..EExtended strand (participates in β ladder)trans-118.4124.5172.3179.4-89.6000108.8A89 T91 L111 N115 F121 V123 V152 Q157 A158 F160 L181 Y183A89-F113 HydrophobicContact CB-CE2 3.69Å; A89-F113 HydrophobicContact CB-CZ 3.79Å; T91-F113 HydrophobicContact CG2-CD2 3.97Å; L111-F113 HydrophobicContact CD2-CB 4.42Å; F113-N115 HydrophobicContact CE1-CB 4.22Å; F113-F121 HydrophobicContact CE1-CB 3.88Å; F113-F121 HydrophobicContact CE1-CD2 4.19Å; F113-F121 HydrophobicContact CE1-CG 4.34Å; F113-F121 HydrophobicContact CZ-CB 3.78Å; F113-F121 AromaticContact CZ-CD2 3.87Å; F113-F121 HydrophobicContact CZ-CD2 3.87Å; F113-F121 AromaticContact CZ-CG 3.92Å; F113-F121 HydrophobicContact CZ-CG 3.92Å; F113-V123 HydrophobicContact CD1-CG2 4Å; F113-V123 HydrophobicContact CD2-CG2 4.33Å; F113-V123 HydrophobicContact CE1-CG2 4.2Å; F113-V123 HydrophobicContact CG-CG2 4.06Å; F113-V123 HydrophobicContact CZ-CG2 4.44Å; F113-V152 HydrophobicContact CD1-CB 4.05Å; F113-V152 HydrophobicContact CD1-CG1 4.03Å; F113-V152 HydrophobicContact CD1-CG2 3.88Å; F113-V152 HydrophobicContact CE1-CB 4.02Å; F113-V152 HydrophobicContact CE1-CG1 4.21Å; F113-V152 HydrophobicContact CE1-CG2 4.22Å; F113-Q157 CarbonylContact O-C 3.56Å; F113-Q157 WeakPolarHBondContact O-CA 3.37Å; F113-Q157 WeakPolarHBondContact O-CB 3.48Å; F113-A158 PolarHBondContact N-O 2.94Å; F113-A158 PolarHBondContact O-N 2.79Å; F113-F160 HydrophobicContact CB-CE2 4.19Å; F113-L181 HydrophobicContact CB-CD2 4.41Å; F113-L181 HydrophobicContact CD2-CD2 3.49Å; F113-L181 VanDerWaalsContact CD2-CD2 3.49Å; F113-L181 HydrophobicContact CE2-CD2 4.16Å; F113-L181 HydrophobicContact CG-CD2 4.31Å; F113-Y183 HydrophobicContact CE2-CD1 4.03Å; F113-Y183 HydrophobicContact CE2-CD2 4.01Å; F113-Y183 HydrophobicContact CE2-CE1 4.12Å; F113-Y183 HydrophobicContact CE2-CE2 4.09Å; F113-Y183 AromaticContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CZ-CD2 4.06Å; F113-Y183 HydrophobicContact CZ-CE2 4.28Å; F113-Y183 HydrophobicContact CZ-CG 4.35Å
114T96.9Very high95.3Very high44 Ų4443.2 Ų43.227%0.2724%0.239SC..EExtended strand (participates in β ladder)trans-118.4119.1-179.9-55.90000109.8D90 K116 Q157D90-T114 PolarHBondContact N-O 3.37Å; D90-T114 PolarHBondContact O-N 3.09Å; T114-K116 PolarHBondContact O-N 2.87Å; T114-Q157 HydrophobicContact CG2-CB 4.46Å
115N96.8Very high95.5Very high0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-85.3109.6175.9-176.4-5000110.1F113 G117 E119 F121 V152 P153 G155 R156F113-N115 HydrophobicContact CE1-CB 4.22Å; N115-G117 WeakPolarHBondContact OD1-CA 3.41Å; N115-G117 PolarHBondContact OD1-N 3.07Å; N115-E119 PolarHBondContact ND2-O 2.89Å; N115-F121 HydrophobicContact CB-CD2 4.11Å; N115-F121 VanDerWaalsContact CG-CD2 3.41Å; N115-F121 WeakPolarHBondContact OD1-CD2 3.44Å; N115-F121 WeakPolarHBondContact OD1-CE2 3.37Å; N115-V152 HydrophobicContact CB-CG1 3.9Å; N115-V152 PolarHBondContact ND2-O 3.48Å; N115-P153 WeakPolarHBondContact CB-O 3.41Å; N115-P153 VanDerWaalsContact ND2-C 3.32Å; N115-P153 PolarHBondContact ND2-O 2.89Å; N115-G155 VanDerWaalsContact O-CA 3.25Å; N115-G155 WeakPolarHBondContact O-CA 3.15Å; N115-G155 PolarHBondContact O-N 2.9Å; N115-R156 PolarHBondContact N-O 2.8Å
116K95.8Very high95.7Very high126 Ų12636.6 Ų36.655%0.54820%0.204SC..  trans-95.5-8.5173.2-65.4179.7174.4170.80113.2N88 D90 T114N88-K116 WeakPolarHBondContact O-CA 3.42Å; N88-K116 WeakPolarHBondContact O-CB 3.1Å; N88-K116 PolarHBondContact O-N 2.97Å; D90-K116 VanDerWaalsContact OD1-CE 3.26Å; D90-K116 WeakPolarHBondContact OD1-CE 3.26Å; D90-K116 IonicContact OD1-NZ 2.81Å; D90-K116 PolarHBondContact OD1-NZ 2.91Å; D90-K116 WeakPolarHBondContact OD2-CE 3.11Å; D90-K116 IonicContact OD2-NZ 3.67Å; D90-K116 PolarHBondContact OD2-NZ 2.77Å; T114-K116 PolarHBondContact O-N 2.87Å
117G91.1Very high95.8Very high10 Ų1034.9 Ų34.910%0.10320%0.196CC..SBendtrans-74.2174-179.900000113.6N88 N115 P154N88-G117 PolarHBondContact O-N 2.65Å; N115-G117 WeakPolarHBondContact OD1-CA 3.41Å; N115-G117 PolarHBondContact OD1-N 3.07Å; G117-P154 WeakPolarHBondContact O-CB 3.27Å
118G93.1Very high95.9Very high74 Ų7434.4 Ų34.476%0.76319%0.193SC*.SBendtrans-90.5-9.5173.400000114.2P154G118-P154 VanDerWaalsContact C-CG 3.48Å; G118-P154 VanDerWaalsContact O-CG 3.24Å; G118-P154 WeakPolarHBondContact O-CG 3.12Å
119E94.3Very high95.9Very high83 Ų8331.1 Ų31.139%0.38818%0.179SC..SBendtrans-108.4164.3-179.7-64.9-171.4-163.600111.6N115 P154 D185 S186N115-E119 PolarHBondContact ND2-O 2.89Å; E119-P154 WeakPolarHBondContact O-CG 3.35Å; E119-D185 WeakPolarHBondContact CB-OD1 3.41Å; E119-S186 PolarHBondContact OE2-OG 2.84Å
120N95.9Very high95.9Very high76 Ų7631.1 Ų31.141%0.40618%0.179SC..  trans-80.4127175.7-67.6-20.8000109.7V151 P153 P154 S186N120-V151 HydrophobicContact CB-CG1 3.96Å; N120-P153 WeakPolarHBondContact OD1-CA 3.05Å; N120-P154 WeakPolarHBondContact OD1-CD 3.41Å; N120-S186 PolarHBondContact O-N 3.5Å
121F96.9Very high95.8Very high2 Ų229.8 Ų29.81%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-89.6142.9166.1-72.7-64.8000110.7N88 A89 F113 N115 V151 V152 Y183 K184 D185 F191N88-F121 HydrophobicContact CB-CE2 4.2Å; N88-F121 HydrophobicContact CB-CZ 4.15Å; A89-F121 HydrophobicContact CB-CE2 4.36Å; F113-F121 HydrophobicContact CE1-CB 3.88Å; F113-F121 HydrophobicContact CE1-CD2 4.19Å; F113-F121 HydrophobicContact CE1-CG 4.34Å; F113-F121 HydrophobicContact CZ-CB 3.78Å; F113-F121 AromaticContact CZ-CD2 3.87Å; F113-F121 HydrophobicContact CZ-CD2 3.87Å; F113-F121 AromaticContact CZ-CG 3.92Å; F113-F121 HydrophobicContact CZ-CG 3.92Å; N115-F121 HydrophobicContact CB-CD2 4.11Å; N115-F121 VanDerWaalsContact CG-CD2 3.41Å; N115-F121 WeakPolarHBondContact OD1-CD2 3.44Å; N115-F121 WeakPolarHBondContact OD1-CE2 3.37Å; F121-V151 CarbonylContact O-C 3.15Å; F121-V151 WeakPolarHBondContact O-CA 3.37Å; F121-V152 PolarHBondContact N-O 3.16Å; F121-V152 VanDerWaalsContact N-O 3.15Å; F121-V152 PolarHBondContact O-N 3.34Å; F121-Y183 AromaticContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CE2 4.13Å; F121-Y183 HydrophobicContact CE1-CD2 4.27Å; F121-Y183 HydrophobicContact CE1-CE2 4.17Å; F121-Y183 HydrophobicContact CG-CD2 4.24Å; F121-K184 CarbonylContact C-O 3.56Å; F121-K184 WeakPolarHBondContact CA-O 3.33Å; F121-D185 HydrophobicContact CD1-CB 4.03Å; F121-D185 HydrophobicContact CE1-CB 3.77Å; F121-F191 HydrophobicContact CE1-CD2 4.32Å; F121-F191 HydrophobicContact CE1-CE2 4.3Å
122M96.6Very high95.7Very high66 Ų6636 Ų3633%0.32520%0.195SC..EExtended strand (participates in β ladder)trans-108.7111.4168.9178.6172.4-73.700108.4E124 V151 Y183 K184M122-E124 HydrophobicContact CG-CG 4.42Å; M122-E124 PolarHBondContact O-N 3.23Å; M122-V151 HydrophobicContact CE-CG2 3.57Å; M122-Y183 CarbonylContact O-C 3.57Å; M122-Y183 WeakPolarHBondContact O-CA 3.39Å; M122-Y183 WeakPolarHBondContact O-CB 3.29Å; M122-K184 HydrophobicContact CB-CG 3.98Å; M122-K184 PolarHBondContact N-O 2.86Å; M122-K184 PolarHBondContact O-N 2.82Å; M122-K184 WeakPolarHBondContact SD-CE 3.08Å
123V96.6Very high95.5Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-78.9115.8174.2-175.60000108F113 L148 G149 T150 V152 F160 L181F113-V123 HydrophobicContact CD1-CG2 4Å; F113-V123 HydrophobicContact CD2-CG2 4.33Å; F113-V123 HydrophobicContact CE1-CG2 4.2Å; F113-V123 HydrophobicContact CG-CG2 4.06Å; F113-V123 HydrophobicContact CZ-CG2 4.44Å; V123-L148 HydrophobicContact CG1-CB 4.3Å; V123-L148 HydrophobicContact CG1-CD1 3.61Å; V123-G149 CarbonylContact O-C 3.52Å; V123-G149 WeakPolarHBondContact O-CA 3.32Å; V123-G149 PolarHBondContact O-N 3.03Å; V123-T150 PolarHBondContact N-O 3.16Å; V123-T150 PolarHBondContact O-N 3.44Å; V123-V152 HydrophobicContact CG2-CG2 4.02Å; V123-F160 HydrophobicContact CB-CE2 4.15Å; V123-F160 HydrophobicContact CB-CZ 3.95Å; V123-F160 HydrophobicContact CG1-CE2 3.8Å; V123-F160 HydrophobicContact CG1-CZ 3.97Å; V123-F160 HydrophobicContact CG2-CE2 4.03Å; V123-F160 HydrophobicContact CG2-CZ 4.06Å; V123-L181 HydrophobicContact CG1-CD1 3.68Å; V123-L181 HydrophobicContact CG1-CD2 4.31Å; V123-L181 HydrophobicContact CG1-CG 4.12Å
124E95.6Very high95.2Very high48 Ų4846.1 Ų46.122%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-91.9-63.9-171.1-68.8-166.2135.200111.6M122 Q147 L148 G149 N182 K184M122-E124 HydrophobicContact CG-CG 4.42Å; M122-E124 PolarHBondContact O-N 3.23Å; E124-Q147 VanDerWaalsContact C-NE2 3.31Å; E124-Q147 PolarHBondContact O-NE2 3.19Å; E124-L148 PolarHBondContact O-N 2.74Å; E124-G149 PolarHBondContact O-N 3.42Å; E124-N182 PolarHBondContact N-O 3.02Å; E124-K184 HydrophobicContact CG-CD 4.41Å; E124-K184 HydrophobicContact CG-CG 4.33Å; E124-K184 VanDerWaalsContact OE1-CD 3.22Å; E124-K184 WeakPolarHBondContact OE1-CD 3.35Å; E124-K184 WeakPolarHBondContact OE1-CE 3.3Å; E124-K184 IonicContact OE1-NZ 2.64Å; E124-K184 PolarHBondContact OE1-NZ 3.27Å
125S96.1Very high95Very high12 Ų1246.7 Ų46.78%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-139.7159.6-177.775.90000112.5D127 L146 N182S125-D127 PolarHBondContact OG-OD1 3.46Å; S125-L146 CarbonylContact C-O 3.45Å; S125-L146 VanDerWaalsContact CA-O 3.25Å; S125-L146 WeakPolarHBondContact CA-O 3.43Å; S125-N182 PolarHBondContact N-O 3.42Å; S125-N182 PolarHBondContact O-N 3.06Å; S125-N182 PolarHBondContact OG-ND2 2.69Å
126L96.3Very high94.7Very high0 Ų049.2 Ų49.20%025%0.254CS..EExtended strand (participates in β ladder)trans-122.8122.4169.9-176.6161.1000108F109 L111 A145 L146 L148 Y162 I179 N180 L181F109-L126 HydrophobicContact CE2-CD1 4.09Å; F109-L126 HydrophobicContact CE2-CD2 4.39Å; F109-L126 HydrophobicContact CZ-CD2 4Å; L111-L126 HydrophobicContact CB-CD1 4.2Å; L111-L126 HydrophobicContact CD1-CD1 3.81Å; L126-A145 WeakPolarHBondContact O-CA 3.37Å; L126-L146 HydrophobicContact CB-CB 4.42Å; L126-L146 PolarHBondContact N-O 3.37Å; L126-L146 PolarHBondContact O-N 2.86Å; L126-L148 HydrophobicContact CB-CD1 4.2Å; L126-Y162 HydrophobicContact CD2-CD1 4.04Å; L126-Y162 HydrophobicContact CD2-CD2 3.75Å; L126-Y162 HydrophobicContact CD2-CE1 4.37Å; L126-Y162 HydrophobicContact CD2-CE2 4.12Å; L126-Y162 HydrophobicContact CD2-CG 3.68Å; L126-I179 HydrophobicContact CD2-CG2 4.17Å; L126-I179 HydrophobicContact CG-CG2 4.42Å; L126-N180 WeakPolarHBondContact CA-O 3.39Å; L126-L181 HydrophobicContact CB-CD1 4.17Å; L126-L181 HydrophobicContact CD1-CD1 4.37Å; L126-L181 HydrophobicContact CG-CD1 4.43Å
127D95.1Very high94.5Very high41 Ų4150.6 Ų50.622%0.21926%0.262CS..EExtended strand (participates in β ladder)trans-114.5137-177.5-50.6-25000108.8S125 A145 I179 N180 N182S125-D127 PolarHBondContact OG-OD1 3.46Å; D127-A145 VanDerWaalsContact OD1-CB 3.24Å; D127-A145 WeakPolarHBondContact OD1-CB 3.47Å; D127-I179 CarbonylContact O-C 3.56Å; D127-I179 WeakPolarHBondContact O-CA 3.45Å; D127-N180 PolarHBondContact N-O 3.09Å; D127-N180 PolarHBondContact O-N 2.97Å; D127-N182 PolarHBondContact OD2-ND2 2.66Å
128A95.9Very high94.5Very high0 Ų056 Ų560%028%0.283CS..EExtended strand (participates in β ladder)trans-129.8139.5175.500000109.1N142 F143 Y162 V178 I179A128-N142 PolarHBondContact O-OD1 3.5Å; A128-F143 HydrophobicContact CB-CB 4.25Å; A128-F143 HydrophobicContact CB-CD2 3.93Å; A128-F143 VanDerWaalsContact O-CB 3.31Å; A128-F143 WeakPolarHBondContact O-CB 3.14Å; A128-F143 WeakPolarHBondContact O-CD2 3.3Å; A128-F143 PolarHBondContact O-N 2.96Å; A128-Y162 HydrophobicContact CB-CE1 3.75Å; A128-V178 CarbonylContact C-O 3.53Å; A128-V178 WeakPolarHBondContact CA-O 3.33Å; A128-I179 HydrophobicContact CB-CG1 4.22Å
129S95.8Very high94.5Very high4 Ų458.7 Ų58.73%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-147.9149.2179.360.10000111.9R131 Q141 V178S129-R131 PolarHBondContact OG-NE 3.35Å; S129-Q141 CarbonylContact C-O 3.54Å; S129-Q141 VanDerWaalsContact CA-O 3.32Å; S129-Q141 WeakPolarHBondContact CA-O 3.39Å; S129-V178 PolarHBondContact N-O 2.95Å; S129-V178 PolarHBondContact O-N 3.35Å
130F95.7Very high94.4Very high0 Ų057.8 Ų57.80%027%0.268CS..EExtended strand (participates in β ladder)trans-94.8136.8161.7-73.2-41.1000111I140 Q141 F143 F164 P166 M170 F175 G176 L177 V200 I202F130-I140 PolarHBondContact O-N 3.31Å; F130-Q141 HydrophobicContact CB-CB 4.36Å; F130-Q141 PolarHBondContact N-O 3.19Å; F130-Q141 PolarHBondContact O-N 3Å; F130-F143 HydrophobicContact CD1-CE2 4.45Å; F130-F143 AromaticContact CD2-CE2 3.73Å; F130-F143 HydrophobicContact CD2-CE2 3.73Å; F130-F143 AromaticContact CD2-CZ 3.48Å; F130-F143 HydrophobicContact CD2-CZ 3.48Å; F130-F143 VanDerWaalsContact CD2-CZ 3.48Å; F130-F143 AromaticContact CE2-CE2 3.87Å; F130-F143 HydrophobicContact CE2-CE2 3.87Å; F130-F143 AromaticContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CE2-CZ 3.44Å; F130-F143 VanDerWaalsContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CG-CE2 4.06Å; F130-F143 HydrophobicContact CG-CZ 4.28Å; F130-F143 HydrophobicContact CZ-CE2 4.25Å; F130-F143 HydrophobicContact CZ-CZ 4.14Å; F130-F164 HydrophobicContact CE1-CE2 4.41Å; F130-F164 HydrophobicContact CE2-CE2 4.32Å; F130-F164 AromaticContact CZ-CE2 3.76Å; F130-F164 HydrophobicContact CZ-CE2 3.76Å; F130-P166 HydrophobicContact CE2-CB 3.91Å; F130-P166 HydrophobicContact CE2-CG 4.27Å; F130-P166 HydrophobicContact CZ-CB 4.31Å; F130-P166 HydrophobicContact CZ-CG 4.25Å; F130-M170 HydrophobicContact CB-CE 3.89Å; F130-M170 HydrophobicContact CD2-CE 3.23Å; F130-M170 HydrophobicContact CD2-SD 3.63Å; F130-M170 HydrophobicContact CE2-CE 3.83Å; F130-M170 HydrophobicContact CE2-SD 3.95Å; F130-M170 HydrophobicContact CG-CE 3.77Å; F130-F175 HydrophobicContact CB-CB 4.43Å; F130-F175 HydrophobicContact CD1-CB 4.02Å; F130-F175 HydrophobicContact CG-CB 4.29Å; F130-G176 CarbonylContact C-O 3.52Å; F130-G176 WeakPolarHBondContact CA-O 3.5Å; F130-L177 HydrophobicContact CD1-CB 4.15Å; F130-L177 HydrophobicContact CD1-CD1 3.96Å; F130-L177 HydrophobicContact CE1-CB 3.97Å; F130-L177 HydrophobicContact CE1-CD1 3.71Å; F130-L177 HydrophobicContact CE1-CG 4.29Å; F130-V200 HydrophobicContact CE1-CG2 4.03Å; F130-I202 HydrophobicContact CE1-CD1 4.19Å; F130-I202 HydrophobicContact CE2-CD1 4.19Å; F130-I202 HydrophobicContact CZ-CD1 3.56Å; F130-I202 HydrophobicContact CZ-CG1 4.45Å
131R95.2Very high94.2Very high30 Ų3056.7 Ų56.711%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-133.8164.4-176.4-50.9-161.5-171.9-179.2-4.9110.9S129 Y136 F138 Y139 G176 V178S129-R131 PolarHBondContact OG-NE 3.35Å; R131-Y136 WeakPolarHBondContact CD-O 3.31Å; R131-Y136 PolarHBondContact NH1-O 2.89Å; R131-F138 VanDerWaalsContact CA-O 3.28Å; R131-F138 WeakPolarHBondContact CA-O 3.46Å; R131-F138 WeakPolarHBondContact CB-O 3.4Å; R131-Y139 HydrophobicContact CG-CD1 4.39Å; R131-Y139 PolarHBondContact NH2-OH 3.19Å; R131-G176 PolarHBondContact N-O 2.91Å; R131-G176 PolarHBondContact O-N 3.07Å; R131-V178 HydrophobicContact CG-CG2 4.12Å
132Y94.9Very high94Very high132 Ų13261.7 Ų61.752%0.51829%0.288SS..EExtended strand (participates in β ladder)trans-66130.1175.7-75.7-88.7000110.6Q134 D135 Y136 F138 I140Y132-Q134 PolarHBondContact O-N 3.48Å; Y132-D135 WeakPolarHBondContact CB-O 3.24Å; Y132-D135 CarbonylContact O-C 3.14Å; Y132-D135 PolarHBondContact O-N 2.95Å; Y132-D135 VanDerWaalsContact O-N 3.14Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.26Å; Y132-F138 HydrophobicContact CD2-CB 3.47Å; Y132-F138 VanDerWaalsContact CD2-CB 3.47Å; Y132-F138 HydrophobicContact CE2-CB 4.05Å; Y132-F138 HydrophobicContact CG-CB 4.41Å; Y132-F138 PolarHBondContact N-O 2.83Å; Y132-I140 HydrophobicContact CD1-CD1 3.96Å; Y132-I140 HydrophobicContact CD1-CG1 4.5Å; Y132-I140 HydrophobicContact CD2-CD1 3.77Å; Y132-I140 HydrophobicContact CD2-CG1 3.54Å; Y132-I140 HydrophobicContact CE1-CD1 4.09Å; Y132-I140 HydrophobicContact CE1-CG1 4.37Å; Y132-I140 HydrophobicContact CE2-CD1 3.94Å; Y132-I140 HydrophobicContact CE2-CG1 3.41Å; Y132-I140 VanDerWaalsContact CE2-CG1 3.41Å; Y132-I140 HydrophobicContact CG-CD1 3.81Å; Y132-I140 HydrophobicContact CG-CG1 4.13Å
133P92.3Very high93.9Very high35 Ų3559.5 Ų59.523%0.22728%0.276CS..THydrogen-bonded Turntrans-62.3-26.6-179.6-2431.5000114.7P174 T199P133-P174 HydrophobicContact CG-CB 4.45Å; P133-P174 WeakPolarHBondContact CG-O 3.34Å; P133-T199 HydrophobicContact CB-CG2 3.91Å; P133-T199 HydrophobicContact CG-CG2 4.11Å
134Q92.7Very high93.8Very high186 Ų18665.3 Ų65.387%0.86931%0.312SS*.THydrogen-bonded Turntrans-80.7-27.5179.3-61.4-58.4-47.800111.9Y132Y132-Q134 PolarHBondContact O-N 3.48Å
135D92.5Very high93.7Very high56 Ų5665.5 Ų65.530%0.29932%0.321SS..EExtended strand (participates in β ladder)trans-152.7108.9-177.3-171-15.6000110.5Y132 Q137 F138Y132-D135 WeakPolarHBondContact CB-O 3.24Å; Y132-D135 CarbonylContact O-C 3.14Å; Y132-D135 PolarHBondContact O-N 2.95Å; Y132-D135 VanDerWaalsContact O-N 3.14Å; D135-Q137 PolarHBondContact O-N 3.21Å; D135-Q137 VanDerWaalsContact OD1-CB 3.29Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.13Å; D135-Q137 PolarHBondContact OD1-N 3.03Å; D135-F138 HydrophobicContact CB-CD2 4.01Å; D135-F138 HydrophobicContact CB-CE2 4.44Å; D135-F138 PolarHBondContact O-N 3Å; D135-F138 VanDerWaalsContact OD2-CE2 3.3Å; D135-F138 WeakPolarHBondContact OD2-CE2 3.23Å
136Y90Very high93.6Very high52 Ų5267.7 Ų67.720%0.20433%0.332CS..EExtended strand (participates in β ladder)trans-784.7-177-80.7-121.9000112.9R131 Y132 G176 V178 N197 T199R131-Y136 WeakPolarHBondContact CD-O 3.31Å; R131-Y136 PolarHBondContact NH1-O 2.89Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.26Å; Y136-G176 VanDerWaalsContact CZ-CA 3.5Å; Y136-G176 VanDerWaalsContact OH-CA 3.3Å; Y136-G176 WeakPolarHBondContact OH-CA 3.22Å; Y136-V178 HydrophobicContact CD1-CG2 3.42Å; Y136-V178 VanDerWaalsContact CD1-CG2 3.42Å; Y136-V178 HydrophobicContact CE1-CG2 3.7Å; Y136-N197 WeakPolarHBondContact CD1-OD1 3.29Å; Y136-N197 WeakPolarHBondContact CE1-OD1 3.39Å; Y136-T199 PolarHBondContact OH-N 3.44Å; Y136-T199 VanDerWaalsContact OH-N 3.13Å; Y136-T199 PolarHBondContact OH-OG1 3.45Å
137Q91.6Very high93.6Very high155 Ų15574.1 Ų74.172%0.72436%0.362SS*.EExtended strand (participates in β ladder)trans-79.1-26171.9-62.2-178.3-105.600111.9D135D135-Q137 PolarHBondContact O-N 3.21Å; D135-Q137 VanDerWaalsContact OD1-CB 3.29Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.13Å; D135-Q137 PolarHBondContact OD1-N 3.03Å
138F92Very high93.5Very high125 Ų12573.8 Ų73.855%0.54836%0.36SS..EExtended strand (participates in β ladder)trans-94.4118.3-176.8-65.1-77.9000111.9R131 Y132 D135R131-F138 VanDerWaalsContact CA-O 3.28Å; R131-F138 WeakPolarHBondContact CA-O 3.46Å; R131-F138 WeakPolarHBondContact CB-O 3.4Å; Y132-F138 HydrophobicContact CD2-CB 3.47Å; Y132-F138 VanDerWaalsContact CD2-CB 3.47Å; Y132-F138 HydrophobicContact CE2-CB 4.05Å; Y132-F138 HydrophobicContact CG-CB 4.41Å; Y132-F138 PolarHBondContact N-O 2.83Å; D135-F138 HydrophobicContact CB-CD2 4.01Å; D135-F138 HydrophobicContact CB-CE2 4.44Å; D135-F138 PolarHBondContact O-N 3Å; D135-F138 VanDerWaalsContact OD2-CE2 3.3Å; D135-F138 WeakPolarHBondContact OD2-CE2 3.23Å
139Y92.3Very high93.4Very high130 Ų13076.2 Ų76.251%0.5139%0.386SS..EExtended strand (participates in β ladder)trans-80.3137.4176.4-64.8-93.3000111.1R131R131-Y139 HydrophobicContact CG-CD1 4.39Å; R131-Y139 PolarHBondContact NH2-OH 3.19Å
140I92.3Very high93.4Very high63 Ų6378.7 Ų78.732%0.32340%0.4SS..EExtended strand (participates in β ladder)trans-105.2-50.1173.9-64.8168.9000109.3F130 Y132 M170 F175F130-I140 PolarHBondContact O-N 3.31Å; Y132-I140 HydrophobicContact CD1-CD1 3.96Å; Y132-I140 HydrophobicContact CD1-CG1 4.5Å; Y132-I140 HydrophobicContact CD2-CD1 3.77Å; Y132-I140 HydrophobicContact CD2-CG1 3.54Å; Y132-I140 HydrophobicContact CE1-CD1 4.09Å; Y132-I140 HydrophobicContact CE1-CG1 4.37Å; Y132-I140 HydrophobicContact CE2-CD1 3.94Å; Y132-I140 HydrophobicContact CE2-CG1 3.41Å; Y132-I140 VanDerWaalsContact CE2-CG1 3.41Å; Y132-I140 HydrophobicContact CG-CD1 3.81Å; Y132-I140 HydrophobicContact CG-CG1 4.13Å; I140-M170 HydrophobicContact CG2-CE 4.22Å; I140-F175 HydrophobicContact CD1-CD1 3.51Å; I140-F175 HydrophobicContact CD1-CE1 3.76Å; I140-F175 HydrophobicContact CG2-CE1 4.41Å
141Q92.3Very high93.4Very high54 Ų5482.1 Ų82.125%0.25242%0.421SS..EExtended strand (participates in β ladder)trans-142.4121.2178-174.2176.97.100108.8S129 F130 F143 M170S129-Q141 CarbonylContact C-O 3.54Å; S129-Q141 VanDerWaalsContact CA-O 3.32Å; S129-Q141 WeakPolarHBondContact CA-O 3.39Å; F130-Q141 HydrophobicContact CB-CB 4.36Å; F130-Q141 PolarHBondContact N-O 3.19Å; F130-Q141 PolarHBondContact O-N 3Å; Q141-F143 HydrophobicContact CG-CD1 4.44Å; Q141-F143 HydrophobicContact CG-CE1 4.12Å; Q141-F143 HydrophobicContact CG-CZ 4.42Å; Q141-M170 PolarHBondContact OE1-SD 3.49Å; Q141-M170 VanDerWaalsContact OE1-SD 3.33Å
142N92.9Very high93.5Very high107 Ų10780.8 Ų80.857%0.57242%0.417SS*.EExtended strand (participates in β ladder)trans-94.8123.8170.7-143.7-16.8000108.1A128A128-N142 PolarHBondContact O-OD1 3.5Å
143F94.4Very high93.6Very high19 Ų1976.3 Ų76.38%0.08340%0.404CS..PPolyproline II helixtrans-82.4158.8176-62-68.4000110.1A128 F130 Q141 A145 Y162 F164A128-F143 HydrophobicContact CB-CB 4.25Å; A128-F143 HydrophobicContact CB-CD2 3.93Å; A128-F143 VanDerWaalsContact O-CB 3.31Å; A128-F143 WeakPolarHBondContact O-CB 3.14Å; A128-F143 WeakPolarHBondContact O-CD2 3.3Å; A128-F143 PolarHBondContact O-N 2.96Å; F130-F143 HydrophobicContact CD1-CE2 4.45Å; F130-F143 AromaticContact CD2-CE2 3.73Å; F130-F143 HydrophobicContact CD2-CE2 3.73Å; F130-F143 AromaticContact CD2-CZ 3.48Å; F130-F143 HydrophobicContact CD2-CZ 3.48Å; F130-F143 VanDerWaalsContact CD2-CZ 3.48Å; F130-F143 AromaticContact CE2-CE2 3.87Å; F130-F143 HydrophobicContact CE2-CE2 3.87Å; F130-F143 AromaticContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CE2-CZ 3.44Å; F130-F143 VanDerWaalsContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CG-CE2 4.06Å; F130-F143 HydrophobicContact CG-CZ 4.28Å; F130-F143 HydrophobicContact CZ-CE2 4.25Å; F130-F143 HydrophobicContact CZ-CZ 4.14Å; Q141-F143 HydrophobicContact CG-CD1 4.44Å; Q141-F143 HydrophobicContact CG-CE1 4.12Å; Q141-F143 HydrophobicContact CG-CZ 4.42Å; F143-A145 PolarHBondContact O-N 3.33Å; F143-Y162 VanDerWaalsContact CB-OH 3.24Å; F143-Y162 WeakPolarHBondContact CB-OH 3.22Å; F143-F164 HydrophobicContact CB-CB 4.43Å; F143-F164 HydrophobicContact CD1-CB 3.76Å; F143-F164 HydrophobicContact CD1-CD2 4.33Å; F143-F164 HydrophobicContact CD1-CG 4.39Å; F143-F164 HydrophobicContact CD2-CB 4.2Å; F143-F164 HydrophobicContact CD2-CD2 4.11Å; F143-F164 HydrophobicContact CD2-CG 4.16Å; F143-F164 HydrophobicContact CE1-CB 3.99Å; F143-F164 AromaticContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CG 4.28Å; F143-F164 HydrophobicContact CE2-CB 4.42Å; F143-F164 AromaticContact CE2-CD2 3.54Å; F143-F164 HydrophobicContact CE2-CD2 3.54Å; F143-F164 AromaticContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CG 4.05Å; F143-F164 HydrophobicContact CG-CB 3.87Å; F143-F164 HydrophobicContact CG-CD2 4.48Å; F143-F164 HydrophobicContact CG-CG 4.33Å; F143-F164 HydrophobicContact CZ-CB 4.31Å; F143-F164 AromaticContact CZ-CD2 3.35Å; F143-F164 HydrophobicContact CZ-CD2 3.35Å; F143-F164 AromaticContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CG 4.11Å
144T93.5Very high93.8Very high123 Ų12377.2 Ų77.276%0.75541%0.409SS*.PPolyproline II helixtrans-60.2122.3179.1-52.10000110.3L146 Y162T144-L146 PolarHBondContact O-N 2.87Å; T144-Y162 WeakPolarHBondContact O-CE2 3.46Å; T144-Y162 PolarHBondContact O-OH 2.91Å
145A93.5Very high93.8Very high51 Ų5171.7 Ų71.742%0.42140%0.402SS..PPolyproline II helixtrans-61.7132175.200000110.6L126 D127 F143L126-A145 WeakPolarHBondContact O-CA 3.37Å; D127-A145 VanDerWaalsContact OD1-CB 3.24Å; D127-A145 WeakPolarHBondContact OD1-CB 3.47Å; F143-A145 PolarHBondContact O-N 3.33Å
146L94.4Very high94Very high59 Ų5976.8 Ų76.831%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-92.5111.8175176.964.6000109.4S125 L126 T144 L148 Y162S125-L146 CarbonylContact C-O 3.45Å; S125-L146 VanDerWaalsContact CA-O 3.25Å; S125-L146 WeakPolarHBondContact CA-O 3.43Å; L126-L146 HydrophobicContact CB-CB 4.42Å; L126-L146 PolarHBondContact N-O 3.37Å; L126-L146 PolarHBondContact O-N 2.86Å; T144-L146 PolarHBondContact O-N 2.87Å; L146-L148 HydrophobicContact CD2-CD2 3.62Å; L146-L148 HydrophobicContact CD2-CG 4.42Å; L146-L148 HydrophobicContact CG-CD2 3.8Å; L146-L148 HydrophobicContact CG-CG 4.27Å; L146-L148 PolarHBondContact O-N 2.98Å; L146-Y162 HydrophobicContact CB-CD2 3.6Å; L146-Y162 HydrophobicContact CB-CE2 3.72Å; L146-Y162 HydrophobicContact CD2-CD2 3.86Å; L146-Y162 HydrophobicContact CG-CD2 4.34Å
147Q95.6Very high94.3Very high135 Ų13581.1 Ų81.163%0.63144%0.439SS*.EExtended strand (participates in β ladder)trans-78.6119.5173.4-149.468.94000110.2E124E124-Q147 VanDerWaalsContact C-NE2 3.31Å; E124-Q147 PolarHBondContact O-NE2 3.19Å
148L93.9Very high94.5Very high33 Ų3374.6 Ų74.617%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-102.3-41.2-174.1-67.2173.1000112.7V123 E124 L126 L146 T150 F160 L181V123-L148 HydrophobicContact CG1-CB 4.3Å; V123-L148 HydrophobicContact CG1-CD1 3.61Å; E124-L148 PolarHBondContact O-N 2.74Å; L126-L148 HydrophobicContact CB-CD1 4.2Å; L146-L148 HydrophobicContact CD2-CD2 3.62Å; L146-L148 HydrophobicContact CD2-CG 4.42Å; L146-L148 HydrophobicContact CG-CD2 3.8Å; L146-L148 HydrophobicContact CG-CG 4.27Å; L146-L148 PolarHBondContact O-N 2.98Å; L148-T150 PolarHBondContact O-N 3.46Å; L148-T150 PolarHBondContact O-OG1 3.17Å; L148-F160 HydrophobicContact CB-CD1 4.46Å; L148-F160 HydrophobicContact CB-CE1 4.21Å; L148-F160 HydrophobicContact CD1-CB 4.09Å; L148-F160 HydrophobicContact CD1-CD1 3.65Å; L148-F160 HydrophobicContact CD1-CD2 3.76Å; L148-F160 HydrophobicContact CD1-CE1 3.92Å; L148-F160 HydrophobicContact CD1-CE2 4.04Å; L148-F160 HydrophobicContact CD1-CG 3.54Å; L148-F160 HydrophobicContact CD1-CZ 4.1Å; L148-F160 HydrophobicContact CD2-CB 4.17Å; L148-F160 HydrophobicContact CD2-CD1 3.44Å; L148-F160 VanDerWaalsContact CD2-CD1 3.44Å; L148-F160 HydrophobicContact CD2-CE1 4.01Å; L148-F160 HydrophobicContact CD2-CG 3.95Å; L148-F160 HydrophobicContact CG-CD1 4.03Å; L148-F160 HydrophobicContact CG-CE1 4.27Å; L148-F160 HydrophobicContact CG-CG 4.35Å; L148-L181 HydrophobicContact CD1-CD1 4.29Å
149G93.5Very high94.7Very high52 Ų5272.7 Ų72.754%0.53641%0.411SS..EExtended strand (participates in β ladder)trans50.931.8177.700000115V123 E124V123-G149 CarbonylContact O-C 3.52Å; V123-G149 WeakPolarHBondContact O-CA 3.32Å; V123-G149 PolarHBondContact O-N 3.03Å; E124-G149 PolarHBondContact O-N 3.42Å
150T95.2Very high94.9Very high55 Ų5567.2 Ų67.234%0.33739%0.39SS..EExtended strand (participates in β ladder)trans-105.2129-169.1-64.30000111.2V123 L148 F160V123-T150 PolarHBondContact N-O 3.16Å; V123-T150 PolarHBondContact O-N 3.44Å; L148-T150 PolarHBondContact O-N 3.46Å; L148-T150 PolarHBondContact O-OG1 3.17Å; T150-F160 HydrophobicContact CG2-CE1 4.19Å; T150-F160 HydrophobicContact CG2-CZ 4.27Å
151V96.5Very high95.1Very high72 Ų7269.2 Ų69.244%0.43640%0.398SS..EExtended strand (participates in β ladder)trans-88.5124.9176.8-177.40000110.4N120 F121 M122 P153N120-V151 HydrophobicContact CB-CG1 3.96Å; F121-V151 CarbonylContact O-C 3.15Å; F121-V151 WeakPolarHBondContact O-CA 3.37Å; M122-V151 HydrophobicContact CE-CG2 3.57Å; V151-P153 WeakPolarHBondContact O-CD 3.44Å
152V96.8Very high95.3Very high3 Ų367.4 Ų67.42%0.01839%0.389CS..EExtended strand (participates in β ladder)trans-110.2106.8178-172.20000109.5F113 N115 F121 V123 R156 A158F113-V152 HydrophobicContact CD1-CB 4.05Å; F113-V152 HydrophobicContact CD1-CG1 4.03Å; F113-V152 HydrophobicContact CD1-CG2 3.88Å; F113-V152 HydrophobicContact CE1-CB 4.02Å; F113-V152 HydrophobicContact CE1-CG1 4.21Å; F113-V152 HydrophobicContact CE1-CG2 4.22Å; N115-V152 HydrophobicContact CB-CG1 3.9Å; N115-V152 PolarHBondContact ND2-O 3.48Å; F121-V152 PolarHBondContact N-O 3.16Å; F121-V152 VanDerWaalsContact N-O 3.15Å; F121-V152 PolarHBondContact O-N 3.34Å; V123-V152 HydrophobicContact CG2-CG2 4.02Å; V152-R156 HydrophobicContact CG1-CB 4.33Å; V152-R156 WeakPolarHBondContact CG1-O 3.25Å; V152-A158 HydrophobicContact CG2-CB 3.63Å
153P96.4Very high95.4Very high38 Ų3865.1 Ų65.125%0.24738%0.381CS..  trans-65.7162.2178.5-22.434.2000113.7N115 N120 V151 G155 R156N115-P153 WeakPolarHBondContact CB-O 3.41Å; N115-P153 VanDerWaalsContact ND2-C 3.32Å; N115-P153 PolarHBondContact ND2-O 2.89Å; N120-P153 WeakPolarHBondContact OD1-CA 3.05Å; V151-P153 WeakPolarHBondContact O-CD 3.44Å; P153-G155 PolarHBondContact O-N 2.79Å; P153-R156 WeakPolarHBondContact O-CB 3.13Å; P153-R156 PolarHBondContact O-N 3.17Å; P153-R156 VanDerWaalsContact O-N 3.14Å
154P96.4Very high95.4Very high53 Ų5364.6 Ų64.634%0.34438%0.379SS..THydrogen-bonded Turntrans-48.3133.6172.3-32.135000113.2G117 G118 E119 N120 R156G117-P154 WeakPolarHBondContact O-CB 3.27Å; G118-P154 VanDerWaalsContact C-CG 3.48Å; G118-P154 VanDerWaalsContact O-CG 3.24Å; G118-P154 WeakPolarHBondContact O-CG 3.12Å; E119-P154 WeakPolarHBondContact O-CG 3.35Å; N120-P154 WeakPolarHBondContact OD1-CD 3.41Å; P154-R156 PolarHBondContact O-N 3.02Å
155G94.5Very high95.5Very high70 Ų7062.7 Ų62.772%0.72236%0.363SS*.THydrogen-bonded Turntrans68.89.6177.300000114.8N115 P153N115-G155 VanDerWaalsContact O-CA 3.25Å; N115-G155 WeakPolarHBondContact O-CA 3.15Å; N115-G155 PolarHBondContact O-N 2.9Å; P153-G155 PolarHBondContact O-N 2.79Å
156R96.1Very high95.5Very high164 Ų16460.2 Ų60.262%0.61934%0.343SS*.  trans-106.3160.7173.2-70.9-168176.9158.91.5111.5N115 V152 P153 P154N115-R156 PolarHBondContact N-O 2.8Å; V152-R156 HydrophobicContact CG1-CB 4.33Å; V152-R156 WeakPolarHBondContact CG1-O 3.25Å; P153-R156 WeakPolarHBondContact O-CB 3.13Å; P153-R156 PolarHBondContact O-N 3.17Å; P153-R156 VanDerWaalsContact O-N 3.14Å; P154-R156 PolarHBondContact O-N 3.02Å
157Q95.9Very high95.3Very high142 Ų14259.1 Ų59.166%0.66434%0.342SS*.EExtended strand (participates in β ladder)trans-119.7150172.366-174.754.100110.4F113 T114F113-Q157 CarbonylContact O-C 3.56Å; F113-Q157 WeakPolarHBondContact O-CA 3.37Å; F113-Q157 WeakPolarHBondContact O-CB 3.48Å; T114-Q157 HydrophobicContact CG2-CB 4.46Å
158A96.1Very high95Very high19 Ų1958.8 Ų58.816%0.15734%0.34CS..EExtended strand (participates in β ladder)trans-123.7155.116900000109.2G112 F113 V152 F160G112-A158 WeakPolarHBondContact CA-O 3.3Å; F113-A158 PolarHBondContact N-O 2.94Å; F113-A158 PolarHBondContact O-N 2.79Å; V152-A158 HydrophobicContact CG2-CB 3.63Å; A158-F160 HydrophobicContact CB-CE1 4.4Å; A158-F160 HydrophobicContact CB-CE2 4.02Å; A158-F160 HydrophobicContact CB-CZ 3.74Å
159T96.7Very high94.8Very high84 Ų8462.4 Ų62.452%0.51537%0.366SS..EExtended strand (participates in β ladder)trans-132133.4177.1-53.70000108.9L110 L111L110-T159 HydrophobicContact CB-CG2 4.14Å; L110-T159 HydrophobicContact CD2-CG2 4.38Å; L111-T159 CarbonylContact O-C 3.52Å; L111-T159 VanDerWaalsContact O-CA 3.26Å; L111-T159 WeakPolarHBondContact O-CA 3.46Å
160F96.2Very high94.6Very high16 Ų1660.5 Ų60.57%0.0734%0.343CS..EExtended strand (participates in β ladder)trans-120.6130.9-177.2-53.4-70.2000109.2L110 L111 F113 V123 L148 T150 A158L110-F160 CarbonylContact C-O 3.54Å; L110-F160 WeakPolarHBondContact CA-O 3.25Å; L111-F160 HydrophobicContact CD2-CD2 4.05Å; L111-F160 PolarHBondContact N-O 3.23Å; L111-F160 PolarHBondContact O-N 3.34Å; F113-F160 HydrophobicContact CB-CE2 4.19Å; V123-F160 HydrophobicContact CB-CE2 4.15Å; V123-F160 HydrophobicContact CB-CZ 3.95Å; V123-F160 HydrophobicContact CG1-CE2 3.8Å; V123-F160 HydrophobicContact CG1-CZ 3.97Å; V123-F160 HydrophobicContact CG2-CE2 4.03Å; V123-F160 HydrophobicContact CG2-CZ 4.06Å; L148-F160 HydrophobicContact CB-CD1 4.46Å; L148-F160 HydrophobicContact CB-CE1 4.21Å; L148-F160 HydrophobicContact CD1-CB 4.09Å; L148-F160 HydrophobicContact CD1-CD1 3.65Å; L148-F160 HydrophobicContact CD1-CD2 3.76Å; L148-F160 HydrophobicContact CD1-CE1 3.92Å; L148-F160 HydrophobicContact CD1-CE2 4.04Å; L148-F160 HydrophobicContact CD1-CG 3.54Å; L148-F160 HydrophobicContact CD1-CZ 4.1Å; L148-F160 HydrophobicContact CD2-CB 4.17Å; L148-F160 HydrophobicContact CD2-CD1 3.44Å; L148-F160 VanDerWaalsContact CD2-CD1 3.44Å; L148-F160 HydrophobicContact CD2-CE1 4.01Å; L148-F160 HydrophobicContact CD2-CG 3.95Å; L148-F160 HydrophobicContact CG-CD1 4.03Å; L148-F160 HydrophobicContact CG-CE1 4.27Å; L148-F160 HydrophobicContact CG-CG 4.35Å; T150-F160 HydrophobicContact CG2-CE1 4.19Å; T150-F160 HydrophobicContact CG2-CZ 4.27Å; A158-F160 HydrophobicContact CB-CE1 4.4Å; A158-F160 HydrophobicContact CB-CE2 4.02Å; A158-F160 HydrophobicContact CB-CZ 3.74Å
161E96Very high94.4Very high105 Ų10558 Ų5849%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-91.9130.8170.6-175.7179.8158.300108.7K108 L110K108-E161 IonicContact NZ-OE1 3.23Å; K108-E161 PolarHBondContact NZ-OE1 2.84Å; L110-E161 HydrophobicContact CD2-CB 3.75Å; L110-E161 HydrophobicContact CD2-CG 4.06Å
162Y96.3Very high94.1Very high16 Ų1657.1 Ų57.16%0.06333%0.334CS..EExtended strand (participates in β ladder)trans-130.8148.2171.5-175.1-94.6000110.1K108 F109 L126 A128 F143 T144 L146 F164K108-Y162 WeakPolarHBondContact CA-O 3.45Å; F109-Y162 HydrophobicContact CD1-CD1 4.4Å; F109-Y162 AromaticContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CD1 3.42Å; F109-Y162 VanDerWaalsContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CE1 4.27Å; F109-Y162 HydrophobicContact CE1-CG 4.23Å; F109-Y162 HydrophobicContact CE2-CD1 4.4Å; F109-Y162 HydrophobicContact CE2-CG 4.47Å; F109-Y162 AromaticContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CD1 3.41Å; F109-Y162 VanDerWaalsContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CE1 4.35Å; F109-Y162 AromaticContact CZ-CG 3.86Å; F109-Y162 HydrophobicContact CZ-CG 3.86Å; F109-Y162 PolarHBondContact N-O 2.78Å; F109-Y162 PolarHBondContact O-N 3.18Å; L126-Y162 HydrophobicContact CD2-CD1 4.04Å; L126-Y162 HydrophobicContact CD2-CD2 3.75Å; L126-Y162 HydrophobicContact CD2-CE1 4.37Å; L126-Y162 HydrophobicContact CD2-CE2 4.12Å; L126-Y162 HydrophobicContact CD2-CG 3.68Å; A128-Y162 HydrophobicContact CB-CE1 3.75Å; F143-Y162 VanDerWaalsContact CB-OH 3.24Å; F143-Y162 WeakPolarHBondContact CB-OH 3.22Å; T144-Y162 WeakPolarHBondContact O-CE2 3.46Å; T144-Y162 PolarHBondContact O-OH 2.91Å; L146-Y162 HydrophobicContact CB-CD2 3.6Å; L146-Y162 HydrophobicContact CB-CE2 3.72Å; L146-Y162 HydrophobicContact CD2-CD2 3.86Å; L146-Y162 HydrophobicContact CG-CD2 4.34Å; Y162-F164 HydrophobicContact CD1-CD1 4.17Å; Y162-F164 HydrophobicContact CE1-CB 3.98Å; Y162-F164 AromaticContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CG 4.41Å
163S95.5Very high93.8Very high58 Ų5864.6 Ų64.641%0.40636%0.362SS..EExtended strand (participates in β ladder)trans-141.7141.4179.168.10000111.7V107V107-S163 CarbonylContact O-C 3.59Å; V107-S163 WeakPolarHBondContact O-CA 3.24Å; V107-S163 WeakPolarHBondContact O-CB 3.32Å
164F94.9Very high93.7Very high9 Ų966.1 Ų66.14%0.03937%0.372CS..EExtended strand (participates in β ladder)trans-140.8166.2176.365.3-87.4000110.5F101 V107 F109 F130 F143 Y162 P166 L177F101-F164 HydrophobicContact CD1-CZ 4.19Å; F101-F164 HydrophobicContact CE1-CZ 4.22Å; V107-F164 HydrophobicContact CB-CD1 4.44Å; V107-F164 HydrophobicContact CB-CD2 4.45Å; V107-F164 HydrophobicContact CB-CE1 4.08Å; V107-F164 HydrophobicContact CB-CE2 4.12Å; V107-F164 HydrophobicContact CB-CZ 3.92Å; V107-F164 HydrophobicContact CG1-CE1 3.76Å; V107-F164 HydrophobicContact CG1-CE2 4.36Å; V107-F164 HydrophobicContact CG1-CZ 3.69Å; V107-F164 HydrophobicContact CG2-CE2 4.36Å; V107-F164 HydrophobicContact CG2-CZ 4.46Å; V107-F164 PolarHBondContact N-O 2.74Å; V107-F164 PolarHBondContact O-N 2.99Å; F109-F164 HydrophobicContact CD1-CD1 4.43Å; F109-F164 HydrophobicContact CD1-CE1 4.03Å; F109-F164 AromaticContact CE1-CD1 3.99Å; F109-F164 HydrophobicContact CE1-CD1 3.99Å; F109-F164 AromaticContact CE1-CE1 3.81Å; F109-F164 HydrophobicContact CE1-CE1 3.81Å; F130-F164 HydrophobicContact CE1-CE2 4.41Å; F130-F164 HydrophobicContact CE2-CE2 4.32Å; F130-F164 AromaticContact CZ-CE2 3.76Å; F130-F164 HydrophobicContact CZ-CE2 3.76Å; F143-F164 HydrophobicContact CB-CB 4.43Å; F143-F164 HydrophobicContact CD1-CB 3.76Å; F143-F164 HydrophobicContact CD1-CD2 4.33Å; F143-F164 HydrophobicContact CD1-CG 4.39Å; F143-F164 HydrophobicContact CD2-CB 4.2Å; F143-F164 HydrophobicContact CD2-CD2 4.11Å; F143-F164 HydrophobicContact CD2-CG 4.16Å; F143-F164 HydrophobicContact CE1-CB 3.99Å; F143-F164 AromaticContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CG 4.28Å; F143-F164 HydrophobicContact CE2-CB 4.42Å; F143-F164 AromaticContact CE2-CD2 3.54Å; F143-F164 HydrophobicContact CE2-CD2 3.54Å; F143-F164 AromaticContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CG 4.05Å; F143-F164 HydrophobicContact CG-CB 3.87Å; F143-F164 HydrophobicContact CG-CD2 4.48Å; F143-F164 HydrophobicContact CG-CG 4.33Å; F143-F164 HydrophobicContact CZ-CB 4.31Å; F143-F164 AromaticContact CZ-CD2 3.35Å; F143-F164 HydrophobicContact CZ-CD2 3.35Å; F143-F164 AromaticContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CG 4.11Å; Y162-F164 HydrophobicContact CD1-CD1 4.17Å; Y162-F164 HydrophobicContact CE1-CB 3.98Å; Y162-F164 AromaticContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CG 4.41Å; F164-P166 HydrophobicContact CD2-CG 4.31Å; F164-P166 HydrophobicContact CE2-CG 4.01Å; F164-L177 HydrophobicContact CZ-CD1 4.11Å; F164-L177 HydrophobicContact CZ-CD2 4.15Å
165I94.4Very high93.7Very high82 Ų8264.5 Ų64.542%0.42136%0.359SS..  trans-124111.3-179.1-57.6172.9000107.7I106 A167I106-I165 HydrophobicContact CB-CG1 4.5Å; I106-I165 HydrophobicContact CG1-CD1 3.96Å; I106-I165 HydrophobicContact CG1-CG1 3.86Å; I165-A167 PolarHBondContact O-N 3.23Å
166P93.4Very high93.7Very high0 Ų061.1 Ų61.10%033%0.325CS..  trans-61.1134.2170.1-20.132.4000110.2N104 N105 V107 F130 F164 I202N104-P166 PolarHBondContact N-O 2.81Å; N105-P166 VanDerWaalsContact O-CD 3.3Å; N105-P166 WeakPolarHBondContact O-CD 3.1Å; V107-P166 HydrophobicContact CG2-CG 4Å; F130-P166 HydrophobicContact CE2-CB 3.91Å; F130-P166 HydrophobicContact CE2-CG 4.27Å; F130-P166 HydrophobicContact CZ-CB 4.31Å; F130-P166 HydrophobicContact CZ-CG 4.25Å; F164-P166 HydrophobicContact CD2-CG 4.31Å; F164-P166 HydrophobicContact CE2-CG 4.01Å; P166-I202 HydrophobicContact CB-CD1 4.2Å; P166-I202 HydrophobicContact CB-CG2 4.11Å; P166-I202 HydrophobicContact CG-CD1 4.26Å
167A90.2Very high93.7Very high35 Ų3553.3 Ų53.329%0.28930%0.295SS..  trans-64.7144.3177.900000111I165 P169 M170I165-A167 PolarHBondContact O-N 3.23Å; A167-P169 VanDerWaalsContact C-CD 3.45Å; A167-P169 HydrophobicContact CB-CG 4.36Å; A167-M170 HydrophobicContact CB-CG 4.11Å; A167-M170 HydrophobicContact CB-SD 4.17Å; A167-M170 VanDerWaalsContact O-CB 3.22Å; A167-M170 WeakPolarHBondContact O-CB 2.84Å; A167-M170 WeakPolarHBondContact O-CG 3.39Å; A167-M170 PolarHBondContact O-N 2.92Å
168E89.8Confident93.7Very high128 Ų12846.7 Ų46.760%0.59826%0.264SS*.G310 helixtrans-49.6-46.1178.8-168.2175.9170.700115.2N104 M170 G171N104-E168 HydrophobicContact CB-CB 4.32Å; E168-M170 PolarHBondContact O-N 3.25Å; E168-G171 PolarHBondContact O-N 3.47Å
169P89.3Confident93.7Very high110 Ų11045.8 Ų45.871%0.71426%0.257SS*.G310 helixtrans-69.1-3.2-179.629.5-38.2000114.2A167 G171A167-P169 VanDerWaalsContact C-CD 3.45Å; A167-P169 HydrophobicContact CB-CG 4.36Å; P169-G171 VanDerWaalsContact C-N 3.27Å
170M89.3Confident93.6Very high11 Ų1142.4 Ų42.45%0.05424%0.236CC..G310 helixtrans-83.4-7.1173.1-55.6-171.672.700112.1F130 I140 Q141 A167 E168 F175 I202F130-M170 HydrophobicContact CB-CE 3.89Å; F130-M170 HydrophobicContact CD2-CE 3.23Å; F130-M170 HydrophobicContact CD2-SD 3.63Å; F130-M170 HydrophobicContact CE2-CE 3.83Å; F130-M170 HydrophobicContact CE2-SD 3.95Å; F130-M170 HydrophobicContact CG-CE 3.77Å; I140-M170 HydrophobicContact CG2-CE 4.22Å; Q141-M170 PolarHBondContact OE1-SD 3.49Å; Q141-M170 VanDerWaalsContact OE1-SD 3.33Å; A167-M170 HydrophobicContact CB-CG 4.11Å; A167-M170 HydrophobicContact CB-SD 4.17Å; A167-M170 VanDerWaalsContact O-CB 3.22Å; A167-M170 WeakPolarHBondContact O-CB 2.84Å; A167-M170 WeakPolarHBondContact O-CG 3.39Å; A167-M170 PolarHBondContact O-N 2.92Å; E168-M170 PolarHBondContact O-N 3.25Å; M170-F175 HydrophobicContact CB-CD2 4.35Å; M170-F175 HydrophobicContact CB-CE2 3.58Å; M170-F175 HydrophobicContact CB-CZ 3.9Å; M170-F175 HydrophobicContact CE-CB 4.36Å; M170-F175 HydrophobicContact CE-CD1 3.49Å; M170-F175 VanDerWaalsContact CE-CD1 3.49Å; M170-F175 HydrophobicContact CE-CD2 3.59Å; M170-F175 HydrophobicContact CE-CE1 3.5Å; M170-F175 HydrophobicContact CE-CE2 3.6Å; M170-F175 HydrophobicContact CE-CG 3.51Å; M170-F175 HydrophobicContact CE-CZ 3.54Å; M170-F175 HydrophobicContact CG-CE2 4.22Å; M170-F175 HydrophobicContact CG-CZ 4.1Å; M170-F175 VanDerWaalsContact O-CE2 3.27Å; M170-F175 WeakPolarHBondContact O-CE2 3.28Å; M170-I202 HydrophobicContact CB-CG1 4.36Å; M170-I202 HydrophobicContact CB-CG2 4.38Å; M170-I202 WeakPolarHBondContact O-CB 3.12Å
171G91.4Very high93.7Very high3 Ų341.6 Ų41.63%0.03123%0.232CC..THydrogen-bonded Turntrans-46.4140172.400000114.6E168 P169 R173 E204E168-G171 PolarHBondContact O-N 3.47Å; P169-G171 VanDerWaalsContact C-N 3.27Å; G171-R173 PolarHBondContact O-N 3.46Å; G171-R173 VanDerWaalsContact O-N 3.13Å; G171-E204 WeakPolarHBondContact CA-OE1 2.91Å; G171-E204 VanDerWaalsContact O-OE1 3.1Å
172G89.8Confident93.7Very high54 Ų5437.7 Ų37.756%0.55722%0.215SC*.THydrogen-bonded Turntrans75.11.8169.700000115.3I202 E204G172-I202 WeakPolarHBondContact CA-O 3.49Å; G172-I202 PolarHBondContact N-O 3.38Å; G172-E204 PolarHBondContact N-OE1 3.45Å
173R91.9Very high93.7Very high160 Ų16036.9 Ų36.960%0.60421%0.212SC*.  trans-119.1148.2-175.3-62.2176.7-170.2-168.73.3112.2G171 F175 I202G171-R173 PolarHBondContact O-N 3.46Å; G171-R173 VanDerWaalsContact O-N 3.13Å; R173-F175 HydrophobicContact CB-CD2 4.4Å; R173-F175 HydrophobicContact CB-CE2 3.57Å; R173-F175 HydrophobicContact CB-CZ 3.84Å; R173-F175 WeakPolarHBondContact O-CD2 3.29Å; R173-I202 PolarHBondContact O-N 2.97Å; R173-I202 VanDerWaalsContact O-N 3.11Å
174P94.7Very high93.7Very high69 Ų6937 Ų3745%0.44821%0.205SC..EExtended strand (participates in β ladder)trans-79.8139.1170.432-32.6000111.1P133 T199 V200P133-P174 HydrophobicContact CG-CB 4.45Å; P133-P174 WeakPolarHBondContact CG-O 3.34Å; P174-T199 HydrophobicContact CB-CG2 3.74Å; P174-V200 CarbonylContact C-O 3.57Å; P174-V200 WeakPolarHBondContact CA-O 3.36Å
175F95.1Very high93.6Very high19 Ų1937.7 Ų37.78%0.08321%0.209CC..EExtended strand (participates in β ladder)trans-133147174.4-65.2-82000110.5F130 I140 M170 R173 L177 T199 V200 I202F130-F175 HydrophobicContact CB-CB 4.43Å; F130-F175 HydrophobicContact CD1-CB 4.02Å; F130-F175 HydrophobicContact CG-CB 4.29Å; I140-F175 HydrophobicContact CD1-CD1 3.51Å; I140-F175 HydrophobicContact CD1-CE1 3.76Å; I140-F175 HydrophobicContact CG2-CE1 4.41Å; M170-F175 HydrophobicContact CB-CD2 4.35Å; M170-F175 HydrophobicContact CB-CE2 3.58Å; M170-F175 HydrophobicContact CB-CZ 3.9Å; M170-F175 HydrophobicContact CE-CB 4.36Å; M170-F175 HydrophobicContact CE-CD1 3.49Å; M170-F175 VanDerWaalsContact CE-CD1 3.49Å; M170-F175 HydrophobicContact CE-CD2 3.59Å; M170-F175 HydrophobicContact CE-CE1 3.5Å; M170-F175 HydrophobicContact CE-CE2 3.6Å; M170-F175 HydrophobicContact CE-CG 3.51Å; M170-F175 HydrophobicContact CE-CZ 3.54Å; M170-F175 HydrophobicContact CG-CE2 4.22Å; M170-F175 HydrophobicContact CG-CZ 4.1Å; M170-F175 VanDerWaalsContact O-CE2 3.27Å; M170-F175 WeakPolarHBondContact O-CE2 3.28Å; R173-F175 HydrophobicContact CB-CD2 4.4Å; R173-F175 HydrophobicContact CB-CE2 3.57Å; R173-F175 HydrophobicContact CB-CZ 3.84Å; R173-F175 WeakPolarHBondContact O-CD2 3.29Å; F175-L177 PolarHBondContact O-N 3.46Å; F175-T199 CarbonylContact O-C 3.5Å; F175-T199 VanDerWaalsContact O-CA 3.3Å; F175-T199 WeakPolarHBondContact O-CA 3.39Å; F175-V200 PolarHBondContact N-O 2.94Å; F175-V200 PolarHBondContact O-N 2.91Å; F175-I202 HydrophobicContact CD2-CG1 3.69Å; F175-I202 HydrophobicContact CE2-CG1 4.16Å
176G95.6Very high93.5Very high0 Ų037.8 Ų37.80%022%0.217CC..EExtended strand (participates in β ladder)trans-73.6113.8168.900000109.6F130 R131 Y136F130-G176 CarbonylContact C-O 3.52Å; F130-G176 WeakPolarHBondContact CA-O 3.5Å; R131-G176 PolarHBondContact N-O 2.91Å; R131-G176 PolarHBondContact O-N 3.07Å; Y136-G176 VanDerWaalsContact CZ-CA 3.5Å; Y136-G176 VanDerWaalsContact OH-CA 3.3Å; Y136-G176 WeakPolarHBondContact OH-CA 3.22Å
177L95.4Very high93.4Very high0 Ų041.6 Ų41.60%024%0.244CC..EExtended strand (participates in β ladder)trans-92.6119.7171.817660.8000108.6F95 F101 F130 F164 F175 I179 F196 N197 Q198 V200F95-L177 HydrophobicContact CE1-CD2 4.32Å; F95-L177 HydrophobicContact CZ-CD2 4.09Å; F101-L177 HydrophobicContact CE1-CD2 3.79Å; F101-L177 HydrophobicContact CZ-CD2 4.04Å; F130-L177 HydrophobicContact CD1-CB 4.15Å; F130-L177 HydrophobicContact CD1-CD1 3.96Å; F130-L177 HydrophobicContact CE1-CB 3.97Å; F130-L177 HydrophobicContact CE1-CD1 3.71Å; F130-L177 HydrophobicContact CE1-CG 4.29Å; F164-L177 HydrophobicContact CZ-CD1 4.11Å; F164-L177 HydrophobicContact CZ-CD2 4.15Å; F175-L177 PolarHBondContact O-N 3.46Å; L177-I179 HydrophobicContact CD1-CD1 4.5Å; L177-I179 HydrophobicContact CD1-CG1 4.19Å; L177-I179 HydrophobicContact CD2-CD1 4.23Å; L177-I179 HydrophobicContact CG-CD1 4.32Å; L177-I179 HydrophobicContact CG-CG1 4.27Å; L177-F196 HydrophobicContact CB-CD1 4.13Å; L177-F196 HydrophobicContact CB-CE1 3.98Å; L177-F196 HydrophobicContact CD2-CD1 3.87Å; L177-F196 HydrophobicContact CD2-CE1 3.77Å; L177-F196 HydrophobicContact CG-CD1 3.82Å; L177-F196 HydrophobicContact CG-CE1 4Å; L177-F196 WeakPolarHBondContact O-CD1 3.34Å; L177-N197 WeakPolarHBondContact O-CA 3.4Å; L177-Q198 PolarHBondContact N-O 3.29Å; L177-Q198 PolarHBondContact O-N 3.4Å; L177-V200 HydrophobicContact CB-CG1 4.14Å; L177-V200 HydrophobicContact CB-CG2 3.76Å; L177-V200 HydrophobicContact CD2-CG1 4.28Å; L177-V200 HydrophobicContact CD2-CG2 4.35Å
178V95.8Very high93.3Very high2 Ų242.1 Ų42.11%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-117.6123.2176.1-175.30000108.9A128 S129 R131 Y136 F196A128-V178 CarbonylContact C-O 3.53Å; A128-V178 WeakPolarHBondContact CA-O 3.33Å; S129-V178 PolarHBondContact N-O 2.95Å; S129-V178 PolarHBondContact O-N 3.35Å; R131-V178 HydrophobicContact CG-CG2 4.12Å; Y136-V178 HydrophobicContact CD1-CG2 3.42Å; Y136-V178 VanDerWaalsContact CD1-CG2 3.42Å; Y136-V178 HydrophobicContact CE1-CG2 3.7Å; V178-F196 CarbonylContact C-O 3.54Å; V178-F196 VanDerWaalsContact CA-O 3.3Å; V178-F196 WeakPolarHBondContact CA-O 3.28Å
179I95.9Very high93.4Very high0 Ų040.4 Ų40.40%025%0.247CC..EExtended strand (participates in β ladder)trans-119.6116.8174.4-58.7167.3000107.2I93 F95 F109 L126 D127 A128 L177 A194 V195 F196I93-I179 HydrophobicContact CD1-CD1 3.48Å; I93-I179 VanDerWaalsContact CD1-CD1 3.48Å; F95-I179 HydrophobicContact CE1-CD1 4.5Å; F95-I179 HydrophobicContact CZ-CD1 4.24Å; F109-I179 HydrophobicContact CD1-CD1 4.07Å; F109-I179 HydrophobicContact CE1-CD1 3.52Å; F109-I179 HydrophobicContact CE1-CG1 4.32Å; F109-I179 HydrophobicContact CE2-CD1 4.16Å; F109-I179 HydrophobicContact CE2-CG2 4.06Å; F109-I179 HydrophobicContact CZ-CD1 3.57Å; F109-I179 HydrophobicContact CZ-CG1 4.13Å; F109-I179 HydrophobicContact CZ-CG2 3.79Å; L126-I179 HydrophobicContact CD2-CG2 4.17Å; L126-I179 HydrophobicContact CG-CG2 4.42Å; D127-I179 CarbonylContact O-C 3.56Å; D127-I179 WeakPolarHBondContact O-CA 3.45Å; A128-I179 HydrophobicContact CB-CG1 4.22Å; L177-I179 HydrophobicContact CD1-CD1 4.5Å; L177-I179 HydrophobicContact CD1-CG1 4.19Å; L177-I179 HydrophobicContact CD2-CD1 4.23Å; L177-I179 HydrophobicContact CG-CD1 4.32Å; L177-I179 HydrophobicContact CG-CG1 4.27Å; I179-A194 CarbonylContact O-C 3.53Å; I179-V195 PolarHBondContact O-N 3.14Å; I179-F196 HydrophobicContact CB-CB 3.98Å; I179-F196 HydrophobicContact CD1-CB 3.9Å; I179-F196 HydrophobicContact CD1-CD1 4.44Å; I179-F196 HydrophobicContact CD1-CG 4.38Å; I179-F196 HydrophobicContact CG1-CB 4.17Å; I179-F196 PolarHBondContact N-O 3.31Å; I179-F196 PolarHBondContact O-N 3.2Å
180N95.8Very high93.7Very high13 Ų1339 Ų397%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-111.2138.1-180-65.2-39.8000109.8L126 D127 Q192 D193 A194L126-N180 WeakPolarHBondContact CA-O 3.39Å; D127-N180 PolarHBondContact N-O 3.09Å; D127-N180 PolarHBondContact O-N 2.97Å; N180-Q192 HydrophobicContact CB-CG 4.22Å; N180-Q192 VanDerWaalsContact CG-NE2 3.31Å; N180-Q192 PolarHBondContact ND2-NE2 2.87Å; N180-D193 CarbonylContact C-O 3.49Å; N180-D193 WeakPolarHBondContact CA-O 3.3Å; N180-A194 WeakPolarHBondContact OD1-CA 3.48Å
181L96.4Very high94Very high0 Ų040.5 Ų40.50%024%0.243CC..EExtended strand (participates in β ladder)trans-110.5122.4170.6-17176000109.2T91 L111 F113 V123 L126 L148 Y183 Q192 D193 V195T91-L181 HydrophobicContact CG2-CD2 3.96Å; L111-L181 HydrophobicContact CD1-CB 4.38Å; L111-L181 HydrophobicContact CD1-CD1 4.2Å; L111-L181 HydrophobicContact CD2-CD1 3.94Å; L111-L181 HydrophobicContact CD2-CD2 3.81Å; L111-L181 HydrophobicContact CD2-CG 4.41Å; F113-L181 HydrophobicContact CB-CD2 4.41Å; F113-L181 HydrophobicContact CD2-CD2 3.49Å; F113-L181 VanDerWaalsContact CD2-CD2 3.49Å; F113-L181 HydrophobicContact CE2-CD2 4.16Å; F113-L181 HydrophobicContact CG-CD2 4.31Å; V123-L181 HydrophobicContact CG1-CD1 3.68Å; V123-L181 HydrophobicContact CG1-CD2 4.31Å; V123-L181 HydrophobicContact CG1-CG 4.12Å; L126-L181 HydrophobicContact CB-CD1 4.17Å; L126-L181 HydrophobicContact CD1-CD1 4.37Å; L126-L181 HydrophobicContact CG-CD1 4.43Å; L148-L181 HydrophobicContact CD1-CD1 4.29Å; L181-Y183 HydrophobicContact CD2-CD1 4.12Å; L181-Y183 HydrophobicContact CG-CD1 4.26Å; L181-Q192 WeakPolarHBondContact O-CA 3.38Å; L181-D193 PolarHBondContact N-O 2.91Å; L181-D193 PolarHBondContact O-N 3.28Å; L181-V195 HydrophobicContact CB-CG2 3.95Å
182N96.4Very high94.2Very high22 Ų2243.5 Ų43.512%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-102126.7177.1-56.1-31.9000109.1E124 S125 D127 Q192E124-N182 PolarHBondContact N-O 3.02Å; S125-N182 PolarHBondContact N-O 3.42Å; S125-N182 PolarHBondContact O-N 3.06Å; S125-N182 PolarHBondContact OG-ND2 2.69Å; D127-N182 PolarHBondContact OD2-ND2 2.66Å; N182-Q192 VanDerWaalsContact OD1-CG 3.29Å; N182-Q192 WeakPolarHBondContact OD1-CG 3.47Å
183Y96.3Very high94.4Very high0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-149158.5-179.959.5-83.2000110.2S86 A89 F113 F121 M122 L181 F191 D193S86-Y183 PolarHBondContact N-OH 2.93Å; A89-Y183 HydrophobicContact CB-CE2 3.85Å; F113-Y183 HydrophobicContact CE2-CD1 4.03Å; F113-Y183 HydrophobicContact CE2-CD2 4.01Å; F113-Y183 HydrophobicContact CE2-CE1 4.12Å; F113-Y183 HydrophobicContact CE2-CE2 4.09Å; F113-Y183 AromaticContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CZ-CD2 4.06Å; F113-Y183 HydrophobicContact CZ-CE2 4.28Å; F113-Y183 HydrophobicContact CZ-CG 4.35Å; F121-Y183 AromaticContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CE2 4.13Å; F121-Y183 HydrophobicContact CE1-CD2 4.27Å; F121-Y183 HydrophobicContact CE1-CE2 4.17Å; F121-Y183 HydrophobicContact CG-CD2 4.24Å; M122-Y183 CarbonylContact O-C 3.57Å; M122-Y183 WeakPolarHBondContact O-CA 3.39Å; M122-Y183 WeakPolarHBondContact O-CB 3.29Å; L181-Y183 HydrophobicContact CD2-CD1 4.12Å; L181-Y183 HydrophobicContact CG-CD1 4.26Å; Y183-F191 HydrophobicContact CD1-CB 4.5Å; Y183-F191 HydrophobicContact CD2-CB 3.94Å; Y183-F191 HydrophobicContact CD2-CD2 4.36Å; Y183-F191 HydrophobicContact CE1-CB 4.1Å; Y183-F191 HydrophobicContact CE2-CB 3.48Å; Y183-F191 VanDerWaalsContact CE2-CB 3.48Å; Y183-F191 HydrophobicContact CE2-CD2 4.11Å; Y183-F191 HydrophobicContact CE2-CG 4.03Å; Y183-F191 HydrophobicContact CG-CB 4.42Å; Y183-F191 PolarHBondContact N-O 3.31Å; Y183-F191 WeakPolarHBondContact O-CA 3.3Å; Y183-F191 PolarHBondContact O-N 2.84Å; Y183-D193 HydrophobicContact CE1-CB 3.98Å
184K95.6Very high94.5Very high60 Ų6037.1 Ų37.126%0.26123%0.228SC..EExtended strand (participates in β ladder)trans-130.9152.7178.165.4-177176.3-1580112.1F121 M122 E124 N189F121-K184 CarbonylContact C-O 3.56Å; F121-K184 WeakPolarHBondContact CA-O 3.33Å; M122-K184 HydrophobicContact CB-CG 3.98Å; M122-K184 PolarHBondContact N-O 2.86Å; M122-K184 PolarHBondContact O-N 2.82Å; M122-K184 WeakPolarHBondContact SD-CE 3.08Å; E124-K184 HydrophobicContact CG-CD 4.41Å; E124-K184 HydrophobicContact CG-CG 4.33Å; E124-K184 VanDerWaalsContact OE1-CD 3.22Å; E124-K184 WeakPolarHBondContact OE1-CD 3.35Å; E124-K184 WeakPolarHBondContact OE1-CE 3.3Å; E124-K184 IonicContact OE1-NZ 2.64Å; E124-K184 PolarHBondContact OE1-NZ 3.27Å; K184-N189 CarbonylContact C-O 3.57Å; K184-N189 WeakPolarHBondContact CA-O 3.47Å; K184-N189 VanDerWaalsContact CB-O 3.28Å; K184-N189 WeakPolarHBondContact CB-O 3.33Å
185D94.3Very high94.5Very high24 Ų2435 Ų3513%0.12821%0.214CC..  trans-82.8173.2173.7-154.3-6.2000111.5E119 F121 S187 G188 N189 F191E119-D185 WeakPolarHBondContact CB-OD1 3.41Å; F121-D185 HydrophobicContact CD1-CB 4.03Å; F121-D185 HydrophobicContact CE1-CB 3.77Å; D185-S187 PolarHBondContact O-N 3.11Å; D185-S187 VanDerWaalsContact O-N 3.16Å; D185-G188 PolarHBondContact O-N 2.83Å; D185-N189 PolarHBondContact N-O 2.8Å; D185-F191 HydrophobicContact CB-CE2 4Å
186S91.3Very high94.5Very high83 Ų8335.2 Ų35.258%0.5822%0.215SC*.THydrogen-bonded Turntrans-59.5-25.8177.585.20000113.3E119 N120 G188E119-S186 PolarHBondContact OE2-OG 2.84Å; N120-S186 PolarHBondContact O-N 3.5Å; S186-G188 VanDerWaalsContact C-N 3.28Å; S186-G188 PolarHBondContact O-N 3.48Å
187S90.4Very high94.5Very high81 Ų8139.4 Ų39.457%0.56624%0.237SC*.THydrogen-bonded Turntrans-78.7-4.3174.8-62.80000114.2D185D185-S187 PolarHBondContact O-N 3.11Å; D185-S187 VanDerWaalsContact O-N 3.16Å
188G89.7Confident94.4Very high46 Ų4645 Ų4547%0.47426%0.263SS..  trans82.95.8-179.100000115.1D185 S186 V190D185-G188 PolarHBondContact O-N 2.83Å; S186-G188 VanDerWaalsContact C-N 3.28Å; S186-G188 PolarHBondContact O-N 3.48Å; G188-V190 PolarHBondContact O-N 3.13Å
189N91.9Very high94.3Very high91 Ų9148.3 Ų48.349%0.48728%0.284SS..  trans-69.6124.3174-61.2-42.3000109.7K184 D185 F191K184-N189 CarbonylContact C-O 3.57Å; K184-N189 WeakPolarHBondContact CA-O 3.47Å; K184-N189 VanDerWaalsContact CB-O 3.28Å; K184-N189 WeakPolarHBondContact CB-O 3.33Å; D185-N189 PolarHBondContact N-O 2.8Å; N189-F191 HydrophobicContact CB-CE2 3.76Å; N189-F191 HydrophobicContact CB-CZ 3.92Å; N189-F191 WeakPolarHBondContact O-CD2 3.27Å; N189-F191 WeakPolarHBondContact O-CE2 3.4Å
190V94.1Very high94.2Very high82 Ų8248.8 Ų48.850%0.49729%0.287SS..EExtended strand (participates in β ladder)trans-85135.6178-174.60000109.5V83 G188V83-V190 HydrophobicContact CG1-CG1 4.32Å; V83-V190 WeakPolarHBondContact CG1-O 3.14Å; G188-V190 PolarHBondContact O-N 3.13Å
191F95.3Very high94.1Very high42 Ų4252.1 Ų52.118%0.18431%0.308CS..EExtended strand (participates in β ladder)trans-127.6147.8175.8-60.9-78.9000108.9K84 F121 Y183 D185 N189K84-F191 WeakPolarHBondContact O-CD1 3.49Å; F121-F191 HydrophobicContact CE1-CD2 4.32Å; F121-F191 HydrophobicContact CE1-CE2 4.3Å; Y183-F191 HydrophobicContact CD1-CB 4.5Å; Y183-F191 HydrophobicContact CD2-CB 3.94Å; Y183-F191 HydrophobicContact CD2-CD2 4.36Å; Y183-F191 HydrophobicContact CE1-CB 4.1Å; Y183-F191 HydrophobicContact CE2-CB 3.48Å; Y183-F191 VanDerWaalsContact CE2-CB 3.48Å; Y183-F191 HydrophobicContact CE2-CD2 4.11Å; Y183-F191 HydrophobicContact CE2-CG 4.03Å; Y183-F191 HydrophobicContact CG-CB 4.42Å; Y183-F191 PolarHBondContact N-O 3.31Å; Y183-F191 WeakPolarHBondContact O-CA 3.3Å; Y183-F191 PolarHBondContact O-N 2.84Å; D185-F191 HydrophobicContact CB-CE2 4Å; N189-F191 HydrophobicContact CB-CE2 3.76Å; N189-F191 HydrophobicContact CB-CZ 3.92Å; N189-F191 WeakPolarHBondContact O-CD2 3.27Å; N189-F191 WeakPolarHBondContact O-CE2 3.4Å
192Q95.7Very high94Very high65 Ų6552.1 Ų52.130%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-134.9128.6178.8178.5173.1-16.900107.7V83 K84 A85 N180 L181 N182V83-Q192 HydrophobicContact CB-CB 3.87Å; V83-Q192 HydrophobicContact CG1-CB 3.67Å; V83-Q192 VanDerWaalsContact CG1-N 3.33Å; K84-Q192 CarbonylContact C-O 3.53Å; K84-Q192 PolarHBondContact O-N 3.02Å; A85-Q192 WeakPolarHBondContact CA-O 3.19Å; A85-Q192 PolarHBondContact N-O 3Å; N180-Q192 HydrophobicContact CB-CG 4.22Å; N180-Q192 VanDerWaalsContact CG-NE2 3.31Å; N180-Q192 PolarHBondContact ND2-NE2 2.87Å; L181-Q192 WeakPolarHBondContact O-CA 3.38Å; N182-Q192 VanDerWaalsContact OD1-CG 3.29Å; N182-Q192 WeakPolarHBondContact OD1-CG 3.47Å
193D95.3Very high93.8Very high30 Ų3053.8 Ų53.816%0.1632%0.319CS..EExtended strand (participates in β ladder)trans-119.1126178-170.616.5000110.5A85 T91 N180 L181 Y183 V195A85-D193 HydrophobicContact CB-CB 3.81Å; T91-D193 WeakPolarHBondContact CB-OD2 3.22Å; T91-D193 HydrophobicContact CG2-CB 4.36Å; T91-D193 WeakPolarHBondContact CG2-OD2 3.28Å; T91-D193 PolarHBondContact OG1-OD2 2.75Å; N180-D193 CarbonylContact C-O 3.49Å; N180-D193 WeakPolarHBondContact CA-O 3.3Å; L181-D193 PolarHBondContact N-O 2.91Å; L181-D193 PolarHBondContact O-N 3.28Å; Y183-D193 HydrophobicContact CE1-CB 3.98Å; D193-V195 VanDerWaalsContact C-N 3.27Å; D193-V195 HydrophobicContact CB-CG2 4.33Å; D193-V195 PolarHBondContact O-N 3.45Å
194A94.4Very high93.5Very high51 Ų5160 Ų6042%0.42135%0.347SS..EExtended strand (participates in β ladder)trans-84.774.117700000109.2I179 N180 F196I179-A194 CarbonylContact O-C 3.53Å; N180-A194 WeakPolarHBondContact OD1-CA 3.48Å; A194-F196 PolarHBondContact O-N 2.96Å
195V94.9Very high92.5Very high23 Ų2363.4 Ų63.414%0.13936%0.362CS..EExtended strand (participates in β ladder)trans-58.3-33.7-172.8-174.10000112.1T91 I93 L111 I179 L181 D193T91-V195 HydrophobicContact CG2-CG2 3.9Å; I93-V195 HydrophobicContact CB-CG1 3.9Å; I93-V195 HydrophobicContact CG2-CG1 4.24Å; L111-V195 HydrophobicContact CD1-CB 4.08Å; L111-V195 HydrophobicContact CD1-CG1 3.98Å; L111-V195 HydrophobicContact CD1-CG2 3.83Å; L111-V195 HydrophobicContact CG-CG1 4.39Å; I179-V195 PolarHBondContact O-N 3.14Å; L181-V195 HydrophobicContact CB-CG2 3.95Å; D193-V195 VanDerWaalsContact C-N 3.27Å; D193-V195 HydrophobicContact CB-CG2 4.33Å; D193-V195 PolarHBondContact O-N 3.45Å
196F95Very high91.4Very high25 Ų2570.7 Ų70.711%0.1140%0.396CS..EExtended strand (participates in β ladder)trans-136.7127.7172.3-166-96000109.6I93 F95 L177 V178 I179 A194 Q198 V200I93-F196 HydrophobicContact CD1-CB 3.99Å; I93-F196 HydrophobicContact CD1-CG 4.47Å; I93-F196 HydrophobicContact CG2-CD2 4.16Å; F95-F196 HydrophobicContact CE2-CD2 4.01Å; F95-F196 AromaticContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CZ 4.06Å; F95-F196 HydrophobicContact CZ-CD1 4.42Å; F95-F196 HydrophobicContact CZ-CD2 4.3Å; F95-F196 HydrophobicContact CZ-CE1 4.37Å; F95-F196 HydrophobicContact CZ-CE2 4.25Å; F95-F196 HydrophobicContact CZ-CG 4.38Å; F95-F196 HydrophobicContact CZ-CZ 4.27Å; L177-F196 HydrophobicContact CB-CD1 4.13Å; L177-F196 HydrophobicContact CB-CE1 3.98Å; L177-F196 HydrophobicContact CD2-CD1 3.87Å; L177-F196 HydrophobicContact CD2-CE1 3.77Å; L177-F196 HydrophobicContact CG-CD1 3.82Å; L177-F196 HydrophobicContact CG-CE1 4Å; L177-F196 WeakPolarHBondContact O-CD1 3.34Å; V178-F196 CarbonylContact C-O 3.54Å; V178-F196 VanDerWaalsContact CA-O 3.3Å; V178-F196 WeakPolarHBondContact CA-O 3.28Å; I179-F196 HydrophobicContact CB-CB 3.98Å; I179-F196 HydrophobicContact CD1-CB 3.9Å; I179-F196 HydrophobicContact CD1-CD1 4.44Å; I179-F196 HydrophobicContact CD1-CG 4.38Å; I179-F196 HydrophobicContact CG1-CB 4.17Å; I179-F196 PolarHBondContact N-O 3.31Å; I179-F196 PolarHBondContact O-N 3.2Å; A194-F196 PolarHBondContact O-N 2.96Å; F196-Q198 HydrophobicContact CE1-CB 3.77Å; F196-Q198 HydrophobicContact CE1-CG 4.43Å; F196-Q198 HydrophobicContact CE2-CB 4.36Å; F196-Q198 HydrophobicContact CE2-CG 4.27Å; F196-Q198 HydrophobicContact CZ-CB 3.7Å; F196-Q198 HydrophobicContact CZ-CG 4.11Å; F196-V200 HydrophobicContact CE1-CG1 3.85Å; F196-V200 HydrophobicContact CZ-CG1 4.06Å
197N94.1Very high90.4Very high88 Ų8872.7 Ų72.747%0.47140%0.4SS..EExtended strand (participates in β ladder)trans-14879.3178.8-173.8-7.1000108.6Y136 L177Y136-N197 WeakPolarHBondContact CD1-OD1 3.29Å; Y136-N197 WeakPolarHBondContact CE1-OD1 3.39Å; L177-N197 WeakPolarHBondContact O-CA 3.4Å
198Q93.6Very high89.2Confident116 Ų11672.7 Ų72.754%0.54241%0.413SS..EExtended strand (participates in β ladder)trans-145.3155.4-176.2-61.5-175.4-1000111.4L177 F196L177-Q198 PolarHBondContact N-O 3.29Å; L177-Q198 PolarHBondContact O-N 3.4Å; F196-Q198 HydrophobicContact CE1-CB 3.77Å; F196-Q198 HydrophobicContact CE1-CG 4.43Å; F196-Q198 HydrophobicContact CE2-CB 4.36Å; F196-Q198 HydrophobicContact CE2-CG 4.27Å; F196-Q198 HydrophobicContact CZ-CB 3.7Å; F196-Q198 HydrophobicContact CZ-CG 4.11Å
199T94.6Very high88.4Confident72 Ų7276.8 Ų76.844%0.44242%0.423SS..EExtended strand (participates in β ladder)trans-80.8121.1174.8-560000109.8P133 Y136 P174 F175P133-T199 HydrophobicContact CB-CG2 3.91Å; P133-T199 HydrophobicContact CG-CG2 4.11Å; Y136-T199 PolarHBondContact OH-N 3.44Å; Y136-T199 VanDerWaalsContact OH-N 3.13Å; Y136-T199 PolarHBondContact OH-OG1 3.45Å; P174-T199 HydrophobicContact CB-CG2 3.74Å; F175-T199 CarbonylContact O-C 3.5Å; F175-T199 VanDerWaalsContact O-CA 3.3Å; F175-T199 WeakPolarHBondContact O-CA 3.39Å
200V93.9Very high87.9Confident11 Ų1176.2 Ų76.27%0.06742%0.42CS..EExtended strand (participates in β ladder)trans-113.4147.9177.6-590000110.1F101 F130 P174 F175 L177 F196 I202F101-V200 HydrophobicContact CD2-CB 3.72Å; F101-V200 HydrophobicContact CD2-CG1 4.08Å; F101-V200 HydrophobicContact CD2-CG2 4.16Å; F101-V200 HydrophobicContact CE2-CB 3.71Å; F101-V200 HydrophobicContact CE2-CG1 3.51Å; F101-V200 HydrophobicContact CE2-CG2 4.34Å; F101-V200 HydrophobicContact CG-CB 4.41Å; F101-V200 HydrophobicContact CG-CG2 4.36Å; F101-V200 HydrophobicContact CZ-CB 4.39Å; F101-V200 HydrophobicContact CZ-CG1 3.9Å; F130-V200 HydrophobicContact CE1-CG2 4.03Å; P174-V200 CarbonylContact C-O 3.57Å; P174-V200 WeakPolarHBondContact CA-O 3.36Å; F175-V200 PolarHBondContact N-O 2.94Å; F175-V200 PolarHBondContact O-N 2.91Å; L177-V200 HydrophobicContact CB-CG1 4.14Å; L177-V200 HydrophobicContact CB-CG2 3.76Å; L177-V200 HydrophobicContact CD2-CG1 4.28Å; L177-V200 HydrophobicContact CD2-CG2 4.35Å; F196-V200 HydrophobicContact CE1-CG1 3.85Å; F196-V200 HydrophobicContact CZ-CG1 4.06Å; V200-I202 HydrophobicContact CG2-CD1 4.27Å
201T93.9Very high87.5Confident83 Ų8374.4 Ų74.451%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-99.5126.4175.8-55.60000109.2
202I94.3Very high87.1Confident0 Ų079.7 Ų79.70%044%0.443CS..EExtended strand (participates in β ladder)trans-83.8123.5177.2-53.8-57000108.2F101 A103 F130 P166 M170 G172 R173 F175 V200F101-I202 HydrophobicContact CB-CD1 3.59Å; F101-I202 HydrophobicContact CG-CD1 4.42Å; F101-I202 CarbonylContact O-C 3.58Å; F101-I202 VanDerWaalsContact O-CA 3.25Å; F101-I202 WeakPolarHBondContact O-CA 3.26Å; F101-I202 WeakPolarHBondContact O-CG2 3.47Å; A103-I202 HydrophobicContact CB-CG2 3.8Å; F130-I202 HydrophobicContact CE1-CD1 4.19Å; F130-I202 HydrophobicContact CE2-CD1 4.19Å; F130-I202 HydrophobicContact CZ-CD1 3.56Å; F130-I202 HydrophobicContact CZ-CG1 4.45Å; P166-I202 HydrophobicContact CB-CD1 4.2Å; P166-I202 HydrophobicContact CB-CG2 4.11Å; P166-I202 HydrophobicContact CG-CD1 4.26Å; M170-I202 HydrophobicContact CB-CG1 4.36Å; M170-I202 HydrophobicContact CB-CG2 4.38Å; M170-I202 WeakPolarHBondContact O-CB 3.12Å; G172-I202 WeakPolarHBondContact CA-O 3.49Å; G172-I202 PolarHBondContact N-O 3.38Å; R173-I202 PolarHBondContact O-N 2.97Å; R173-I202 VanDerWaalsContact O-N 3.11Å; F175-I202 HydrophobicContact CD2-CG1 3.69Å; F175-I202 HydrophobicContact CE2-CG1 4.16Å; V200-I202 HydrophobicContact CG2-CD1 4.27Å
203T92.1Very high86.7Confident57 Ų5779.3 Ų79.335%0.3545%0.445SS..EExtended strand (participates in β ladder)trans-86.6133.6178.8520000109.7F101 P102 A103 K205F101-T203 PolarHBondContact O-N 3.27Å; F101-T203 PolarHBondContact O-OG1 3.4Å; P102-T203 CarbonylContact C-O 3.55Å; P102-T203 WeakPolarHBondContact CA-O 3.46Å; P102-T203 WeakPolarHBondContact CA-OG1 3.46Å; A103-T203 PolarHBondContact N-O 3.2Å; T203-K205 PolarHBondContact O-N 3.04Å
204E88.4Confident86.5Confident129 Ų12981.6 Ų81.660%0.60346%0.457SS*.PPolyproline II helixtrans-73128.2168.8-74.6171.6-169.900107.9G171 G172 E206G171-E204 WeakPolarHBondContact CA-OE1 2.91Å; G171-E204 VanDerWaalsContact O-OE1 3.1Å; G172-E204 PolarHBondContact N-OE1 3.45Å; E204-E206 PolarHBondContact O-N 3.5Å
205K76.3Confident86.4Confident132 Ų13285.8 Ų85.857%0.57447%0.466SS*.  trans-75.5112161.9-178.1169177.4169.40105.8T203 D207T203-K205 PolarHBondContact O-N 3.04Å; K205-D207 VanDerWaalsContact C-N 3.28Å; K205-D207 PolarHBondContact O-N 3.04Å
206E70.3Confident86.3Confident178 Ų17889 Ų8983%0.83248%0.48SS*.  trans-60.999.5164-66176.6-172.900106.3E204 G208E204-E206 PolarHBondContact O-N 3.5Å; E206-G208 VanDerWaalsContact C-N 3.32Å; E206-G208 PolarHBondContact O-N 3.03Å
207D69.9Low86.2Confident125 Ų12594.8 Ų94.867%0.66850%0.502SS*.  trans-57.3108.7160.2-91.6-13.3000104.4K205 L209K205-D207 VanDerWaalsContact C-N 3.28Å; K205-D207 PolarHBondContact O-N 3.04Å; D207-L209 PolarHBondContact O-N 3.2Å
208G65.5Low86.2Confident81 Ų8194.9 Ų94.984%0.83551%0.506SS*.SBendtrans-63.616-164.200000115.6E206 D210E206-G208 VanDerWaalsContact C-N 3.32Å; E206-G208 PolarHBondContact O-N 3.03Å; G208-D210 VanDerWaalsContact C-N 3.31Å; G208-D210 PolarHBondContact O-N 2.92Å
209L73Confident86.3Confident132 Ų13295.2 Ų95.269%0.69151%0.506SS*.  trans-87.774.3167-157.4145.6000108.1D207 G211 I214D207-L209 PolarHBondContact O-N 3.2Å; L209-G211 PolarHBondContact O-N 3.13Å; L209-I214 HydrophobicContact CD1-CD1 4.36Å; L209-I214 HydrophobicContact CD2-CD1 3.44Å; L209-I214 VanDerWaalsContact CD2-CD1 3.44Å; L209-I214 HydrophobicContact CG-CD1 3.46Å; L209-I214 VanDerWaalsContact CG-CD1 3.46Å
210D81.8Confident86.3Confident78 Ų7896.8 Ų96.842%0.41751%0.511SS..  trans-66.498.9170.717720.8000109.2G208 E212 T213 I214G208-D210 VanDerWaalsContact C-N 3.31Å; G208-D210 PolarHBondContact O-N 2.92Å; D210-E212 PolarHBondContact O-N 3.46Å; D210-E212 VanDerWaalsContact OD1-CB 3.29Å; D210-E212 WeakPolarHBondContact OD1-CB 3.39Å; D210-E212 PolarHBondContact OD1-N 2.7Å; D210-E212 VanDerWaalsContact OD1-N 3.07Å; D210-T213 PolarHBondContact O-N 3.3Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 VanDerWaalsContact OD2-CB 3.23Å; D210-T213 WeakPolarHBondContact OD2-CB 3.38Å; D210-T213 PolarHBondContact OD2-N 2.98Å; D210-T213 PolarHBondContact OD2-OG1 2.93Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-I214 PolarHBondContact O-N 3.39Å
211G85.8Confident86.3Confident44 Ų4499.6 Ų99.645%0.45453%0.531SS..Hα-helixtrans-57.6-28.1178.600000112.5L209 F215L209-G211 PolarHBondContact O-N 3.13Å; G211-F215 WeakPolarHBondContact O-CB 3.38Å; G211-F215 PolarHBondContact O-N 3.44Å
212E87Confident86.4Confident154 Ų15497.4 Ų97.472%0.7253%0.525SS*.Hα-helixtrans-65.9-51.2175.1-174.7178.8153.800110.7D210 I214 F215 M216D210-E212 PolarHBondContact O-N 3.46Å; D210-E212 VanDerWaalsContact OD1-CB 3.29Å; D210-E212 WeakPolarHBondContact OD1-CB 3.39Å; D210-E212 PolarHBondContact OD1-N 2.7Å; D210-E212 VanDerWaalsContact OD1-N 3.07Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-I214 PolarHBondContact O-N 3.26Å; E212-F215 PolarHBondContact O-N 2.99Å; E212-M216 WeakPolarHBondContact O-CB 3.23Å; E212-M216 PolarHBondContact O-N 3.35Å
213T86.3Confident86.5Confident57 Ų57101.3 Ų101.335%0.3555%0.545SS..Hα-helixtrans-61.4-42177.1-70.30000111.8D210 M216 Y217D210-T213 PolarHBondContact O-N 3.3Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 VanDerWaalsContact OD2-CB 3.23Å; D210-T213 WeakPolarHBondContact OD2-CB 3.38Å; D210-T213 PolarHBondContact OD2-N 2.98Å; D210-T213 PolarHBondContact OD2-OG1 2.93Å; T213-M216 PolarHBondContact O-N 3.43Å; T213-Y217 HydrophobicContact CG2-CD2 3.76Å; T213-Y217 HydrophobicContact CG2-CE2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.22Å; T213-Y217 PolarHBondContact O-N 3.22Å
214I90.6Very high86.6Confident77 Ų77100.1 Ų100.140%0.39554%0.544SS..Hα-helixtrans-64.7-46.3177.6-69.3167.6000110.6L209 D210 E212 M216 Y217 V218L209-I214 HydrophobicContact CD1-CD1 4.36Å; L209-I214 HydrophobicContact CD2-CD1 3.44Å; L209-I214 VanDerWaalsContact CD2-CD1 3.44Å; L209-I214 HydrophobicContact CG-CD1 3.46Å; L209-I214 VanDerWaalsContact CG-CD1 3.46Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-I214 PolarHBondContact O-N 3.39Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-I214 PolarHBondContact O-N 3.26Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.03Å; I214-Y217 PolarHBondContact O-N 3.15Å; I214-V218 WeakPolarHBondContact O-CG2 3.14Å; I214-V218 PolarHBondContact O-N 2.82Å
215F92.4Very high86.9Confident140 Ų14099.3 Ų99.361%0.61454%0.544SS*.Hα-helixtrans-59.8-43.6175.6175.1-102000111.4G211 E212 Y217 V218 F219G211-F215 WeakPolarHBondContact O-CB 3.38Å; G211-F215 PolarHBondContact O-N 3.44Å; E212-F215 PolarHBondContact O-N 2.99Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 2.94Å; F215-V218 PolarHBondContact O-N 3.32Å; F215-F219 HydrophobicContact CE1-CB 4.47Å; F215-F219 HydrophobicContact CZ-CB 4.46Å; F215-F219 HydrophobicContact CZ-CD2 4.42Å; F215-F219 VanDerWaalsContact O-CB 3.22Å; F215-F219 WeakPolarHBondContact O-CB 3.14Å; F215-F219 PolarHBondContact O-N 3.07Å
216M92.9Very high87.8Confident89 Ų8998.6 Ų98.644%0.43855%0.546SS..Hα-helixtrans-57.2-46.5176.9-173.1-148.365.400110.9E212 T213 I214 F219 L220E212-M216 WeakPolarHBondContact O-CB 3.23Å; E212-M216 PolarHBondContact O-N 3.35Å; T213-M216 PolarHBondContact O-N 3.43Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.03Å; M216-F219 PolarHBondContact O-N 2.58Å; M216-L220 VanDerWaalsContact O-CB 3.24Å; M216-L220 WeakPolarHBondContact O-CB 3.3Å; M216-L220 PolarHBondContact O-N 3.49Å
217Y92.7Very high88.9Confident147 Ų14793.9 Ų93.958%0.57653%0.529SS*.Hα-helixtrans-66.7-42.7178.6-72.1-52.4000113.2T213 I214 F215 L220 S221T213-Y217 HydrophobicContact CG2-CD2 3.76Å; T213-Y217 HydrophobicContact CG2-CE2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.22Å; T213-Y217 PolarHBondContact O-N 3.22Å; I214-Y217 PolarHBondContact O-N 3.15Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 2.94Å; Y217-L220 PolarHBondContact O-N 2.81Å; Y217-S221 WeakPolarHBondContact O-CB 3.24Å; Y217-S221 PolarHBondContact O-N 3.44Å
218V94.6Very high90.1Very high91 Ų9193.1 Ų93.155%0.55252%0.524SS*.Hα-helixtrans-62.1-46.5176.2173.20000110.3I214 F215 L220 S221 G222I214-V218 WeakPolarHBondContact O-CG2 3.14Å; I214-V218 PolarHBondContact O-N 2.82Å; F215-V218 PolarHBondContact O-N 3.32Å; V218-L220 PolarHBondContact O-N 3.31Å; V218-S221 PolarHBondContact O-N 3.01Å; V218-S221 PolarHBondContact O-OG 3.49Å; V218-G222 PolarHBondContact O-N 2.86Å
219F95.6Very high91.4Very high123 Ų12393.3 Ų93.354%0.53951%0.508SS..Hα-helixtrans-61.9-44.9178-176.9-102.5000112.1F215 M216 S221 G222 L223F215-F219 HydrophobicContact CE1-CB 4.47Å; F215-F219 HydrophobicContact CZ-CB 4.46Å; F215-F219 HydrophobicContact CZ-CD2 4.42Å; F215-F219 VanDerWaalsContact O-CB 3.22Å; F215-F219 WeakPolarHBondContact O-CB 3.14Å; F215-F219 PolarHBondContact O-N 3.07Å; M216-F219 PolarHBondContact O-N 2.58Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-S221 PolarHBondContact O-N 3.34Å; F219-G222 PolarHBondContact O-N 3.32Å; F219-L223 WeakPolarHBondContact O-CB 3.29Å; F219-L223 PolarHBondContact O-N 2.91Å
220L94.6Very high92.2Very high104 Ų10488.7 Ų88.755%0.54549%0.493SS..Hα-helixtrans-64.9-38178.6-154.473.2000111.5M216 Y217 V218 L223 G224M216-L220 VanDerWaalsContact O-CB 3.24Å; M216-L220 WeakPolarHBondContact O-CB 3.3Å; M216-L220 PolarHBondContact O-N 3.49Å; Y217-L220 PolarHBondContact O-N 2.81Å; V218-L220 PolarHBondContact O-N 3.31Å; L220-L223 PolarHBondContact O-N 2.97Å; L220-G224 PolarHBondContact O-N 3.31Å
221S94.4Very high92.7Very high70 Ų7089.6 Ų89.649%0.4950%0.497SS..Hα-helixtrans-64.4-42.2173.781.10000111.9Y217 V218 F219 G224 L225Y217-S221 WeakPolarHBondContact O-CB 3.24Å; Y217-S221 PolarHBondContact O-N 3.44Å; V218-S221 PolarHBondContact O-N 3.01Å; V218-S221 PolarHBondContact O-OG 3.49Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-S221 PolarHBondContact O-N 3.34Å; S221-G224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.49Å; S221-L225 PolarHBondContact O-N 3.49Å
222G95.9Very high92.9Very high37 Ų3792.5 Ų92.538%0.38150%0.499SS..Hα-helixtrans-63.5-44.2175.600000112.4V218 F219 G224 L225 L226V218-G222 PolarHBondContact O-N 2.86Å; F219-G222 PolarHBondContact O-N 3.32Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-G224 PolarHBondContact O-N 2.88Å; G222-L225 PolarHBondContact O-N 2.85Å; G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 PolarHBondContact O-N 2.99Å
223L95.8Very high93Very high82 Ų8291.2 Ų91.243%0.42949%0.493SS..Hα-helixtrans-63.3-41.7175.2-173.165.2000111.3F219 L220 L225 L226 V227F219-L223 WeakPolarHBondContact O-CB 3.29Å; F219-L223 PolarHBondContact O-N 2.91Å; L220-L223 PolarHBondContact O-N 2.97Å; L223-L225 PolarHBondContact O-N 3.21Å; L223-L226 WeakPolarHBondContact O-CB 3.32Å; L223-L226 PolarHBondContact O-N 3.5Å; L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.44Å
224G94.8Very high92.9Very high32 Ų3293.4 Ų93.433%0.3350%0.502SS..Hα-helixtrans-58.4-46.2174.400000112.5L220 S221 G222 L226 V227 I228L220-G224 PolarHBondContact O-N 3.31Å; S221-G224 PolarHBondContact O-N 3.48Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-G224 PolarHBondContact O-N 2.88Å; G224-L226 VanDerWaalsContact C-N 3.35Å; G224-L226 PolarHBondContact O-N 3.5Å; G224-V227 PolarHBondContact O-N 3.48Å; G224-I228 VanDerWaalsContact O-CG1 3.3Å; G224-I228 WeakPolarHBondContact O-CG1 3.44Å; G224-I228 PolarHBondContact O-N 2.93Å
225L94.9Very high92.6Very high112 Ų11294.7 Ų94.759%0.58651%0.509SS*.Hα-helixtrans-61.8-42174.5-72.7172.9000111.9S221 G222 L223 V227 I228 V229S221-L225 WeakPolarHBondContact O-CG 3.49Å; S221-L225 PolarHBondContact O-N 3.49Å; G222-L225 PolarHBondContact O-N 2.85Å; L223-L225 PolarHBondContact O-N 3.21Å; L225-V227 PolarHBondContact O-N 3.39Å; L225-I228 PolarHBondContact O-N 3.25Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 2.89Å
226L94.6Very high91.7Very high118 Ų11892.9 Ų92.962%0.61850%0.502SS*.Hα-helixtrans-62.2-43.8177.3-158.5170.2000111G222 L223 G224 I228 V229 G230G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 PolarHBondContact O-N 2.99Å; L223-L226 WeakPolarHBondContact O-CB 3.32Å; L223-L226 PolarHBondContact O-N 3.5Å; G224-L226 VanDerWaalsContact C-N 3.35Å; G224-L226 PolarHBondContact O-N 3.5Å; L226-I228 PolarHBondContact O-N 3.39Å; L226-V229 PolarHBondContact O-N 3.22Å; L226-G230 PolarHBondContact O-N 2.88Å
227V94.5Very high90.4Very high78 Ų7892 Ų9247%0.47351%0.505SS..Hα-helixtrans-61.3-43.4175.4172.10000111.1L223 G224 L225 G230 L231L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.44Å; G224-V227 PolarHBondContact O-N 3.48Å; L225-V227 PolarHBondContact O-N 3.39Å; V227-G230 PolarHBondContact O-N 3.23Å; V227-L231 HydrophobicContact CG1-CD1 3.87Å; V227-L231 HydrophobicContact CG1-CG 4.36Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.27Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.44Å
228I93.7Very high89.1Confident110 Ų11094.7 Ų94.756%0.56451%0.514SS*.Hα-helixtrans-62.4-46.7177.3-67.7164.7000110.8G224 L225 L226 L231 H232G224-I228 VanDerWaalsContact O-CG1 3.3Å; G224-I228 WeakPolarHBondContact O-CG1 3.44Å; G224-I228 PolarHBondContact O-N 2.93Å; L225-I228 PolarHBondContact O-N 3.25Å; L226-I228 PolarHBondContact O-N 3.39Å; I228-L231 PolarHBondContact O-N 2.84Å; I228-H232 WeakPolarHBondContact O-CB 3.27Å; I228-H232 PolarHBondContact O-N 2.89Å
229V92.9Very high87.4Confident84 Ų8498.1 Ų98.151%0.50952%0.522SS..Hα-helixtrans-65.3-41.5177.6172.70000111.1L225 L226 H232 Q233L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 2.89Å; L226-V229 PolarHBondContact O-N 3.22Å; V229-H232 WeakPolarHBondContact O-CB 3.34Å; V229-H232 PolarHBondContact O-N 3.38Å; V229-Q233 HydrophobicContact CG1-CG 4.27Å; V229-Q233 WeakPolarHBondContact O-CB 3.49Å; V229-Q233 WeakPolarHBondContact O-CG 3.19Å; V229-Q233 PolarHBondContact O-N 2.74Å
230G91.4Very high85.6Confident36 Ų36103.2 Ų103.237%0.37154%0.537SS..Hα-helixtrans-62.6-43.4176.600000112.3L226 V227 Q233 L234L226-G230 PolarHBondContact O-N 2.88Å; V227-G230 PolarHBondContact O-N 3.23Å; G230-Q233 PolarHBondContact O-N 3.29Å; G230-L234 VanDerWaalsContact O-CB 3.32Å; G230-L234 WeakPolarHBondContact O-CB 3.43Å; G230-L234 PolarHBondContact O-N 3.49Å
231L91.8Very high83.9Confident96 Ų96109.4 Ų109.450%0.50355%0.553SS.*Hα-helixtrans-64.3-40.7172.5-74.4169.7000111.6V227 I228 L234 L235V227-L231 HydrophobicContact CG1-CD1 3.87Å; V227-L231 HydrophobicContact CG1-CG 4.36Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.27Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.44Å; I228-L231 PolarHBondContact O-N 2.84Å; L231-L234 PolarHBondContact O-N 3.33Å; L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 VanDerWaalsContact O-CG 3.24Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 3.15Å
232H89.7Confident82.4Confident105 Ų105116.5 Ų116.549%0.48657%0.57SS.*Hα-helixtrans-61.3-49.5176-166.9-91.7000111.5I228 V229 L234 L235 E236I228-H232 WeakPolarHBondContact O-CB 3.27Å; I228-H232 PolarHBondContact O-N 2.89Å; V229-H232 WeakPolarHBondContact O-CB 3.34Å; V229-H232 PolarHBondContact O-N 3.38Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-L234 PolarHBondContact O-N 3.46Å; H232-L235 PolarHBondContact O-N 3.25Å; H232-E236 IonicContact CE1-OE1 3.81Å; H232-E236 PolarHBondContact CE1-OE1 3.48Å; H232-E236 IonicContact CE1-OE2 2.74Å; H232-E236 PolarHBondContact CE1-OE2 2.84Å; H232-E236 IonicContact ND1-OE1 2.99Å; H232-E236 IonicContact ND1-OE2 3.39Å; H232-E236 PolarHBondContact ND1-OE2 3.21Å; H232-E236 IonicContact NE2-OE1 2.74Å; H232-E236 WeakPolarHBondContact O-CB 3.36Å; H232-E236 WeakPolarHBondContact O-CG 3.4Å; H232-E236 PolarHBondContact O-N 2.88Å
233Q88.6Confident80.8Confident127 Ų127120.4 Ų120.459%0.59359%0.588SS**Hα-helixtrans-58.6-41.3175.4-70.2-104.829.300112V229 G230 S237V229-Q233 HydrophobicContact CG1-CG 4.27Å; V229-Q233 WeakPolarHBondContact O-CB 3.49Å; V229-Q233 WeakPolarHBondContact O-CG 3.19Å; V229-Q233 PolarHBondContact O-N 2.74Å; G230-Q233 PolarHBondContact O-N 3.29Å; Q233-S237 VanDerWaalsContact O-CB 3.28Å; Q233-S237 WeakPolarHBondContact O-CB 3.28Å; Q233-S237 PolarHBondContact O-N 2.91Å; Q233-S237 PolarHBondContact O-OG 2.92Å
234L85.1Confident79.3Confident104 Ų104120.6 Ų120.655%0.54560%0.602SS.*Hα-helixtrans-68.1-40.1178.1-173.764.2000112.4G230 L231 H232 S237 R238G230-L234 VanDerWaalsContact O-CB 3.32Å; G230-L234 WeakPolarHBondContact O-CB 3.43Å; G230-L234 PolarHBondContact O-N 3.49Å; L231-L234 PolarHBondContact O-N 3.33Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-L234 PolarHBondContact O-N 3.46Å; L234-S237 WeakPolarHBondContact CA-OG 3.4Å; L234-S237 PolarHBondContact O-OG 2.9Å; L234-R238 PolarHBondContact O-N 2.9Å; L234-R238 VanDerWaalsContact O-N 3.15Å
235L83.1Confident78Confident103 Ų103124.5 Ų124.554%0.53962%0.621SS.*Hα-helixtrans-71.1-37.6177.4-70.9171.4000112.1L231 H232 R238 K239L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 VanDerWaalsContact O-CG 3.24Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 3.15Å; H232-L235 PolarHBondContact O-N 3.25Å; L235-R238 PolarHBondContact O-N 3.35Å; L235-K239 WeakPolarHBondContact O-CG 3.32Å; L235-K239 PolarHBondContact O-N 2.92Å
236E75.4Confident76.5Confident102 Ų102129 Ų12948%0.47764%0.636SS.*Hα-helixtrans-69.3-42.2175.4-74.8-172.714400112.4H232 R238 K239H232-E236 IonicContact CE1-OE1 3.81Å; H232-E236 PolarHBondContact CE1-OE1 3.48Å; H232-E236 IonicContact CE1-OE2 2.74Å; H232-E236 PolarHBondContact CE1-OE2 2.84Å; H232-E236 IonicContact ND1-OE1 2.99Å; H232-E236 IonicContact ND1-OE2 3.39Å; H232-E236 PolarHBondContact ND1-OE2 3.21Å; H232-E236 IonicContact NE2-OE1 2.74Å; H232-E236 WeakPolarHBondContact O-CB 3.36Å; H232-E236 WeakPolarHBondContact O-CG 3.4Å; H232-E236 PolarHBondContact O-N 2.88Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.35Å; E236-K239 PolarHBondContact O-N 3.31Å; E236-K239 VanDerWaalsContact O-N 3.14Å
237S65.2Low75.4Confident72 Ų72129.1 Ų129.150%0.50364%0.641SS.*Hα-helixtrans-62.8-32.9175.160.20000112.4Q233 L234 R240Q233-S237 VanDerWaalsContact O-CB 3.28Å; Q233-S237 WeakPolarHBondContact O-CB 3.28Å; Q233-S237 PolarHBondContact O-N 2.91Å; Q233-S237 PolarHBondContact O-OG 2.92Å; L234-S237 WeakPolarHBondContact CA-OG 3.4Å; L234-S237 PolarHBondContact O-OG 2.9Å; S237-R240 PolarHBondContact O-N 3.34Å
238R64.4Low74.4Confident203 Ų203134.3 Ų134.377%0.76666%0.66SS**Hα-helixtrans-68.1-32.9173.4-115.7177.3178.5175.50.3113.7L234 L235 E236 R240L234-R238 PolarHBondContact O-N 2.9Å; L234-R238 VanDerWaalsContact O-N 3.15Å; L235-R238 PolarHBondContact O-N 3.35Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.35Å; R238-R240 PolarHBondContact O-N 3.14Å
239K59.6Low72.9Confident163 Ų163134.6 Ų134.671%0.70967%0.668SS**Hα-helixtrans-72.7-11.3-179.8-74.7175.1-176.5175.40113.9L235 E236L235-K239 WeakPolarHBondContact O-CG 3.32Å; L235-K239 PolarHBondContact O-N 2.92Å; E236-K239 PolarHBondContact O-N 3.31Å; E236-K239 VanDerWaalsContact O-N 3.14Å
240R58.1Low71.3Confident229 Ų229133.4 Ų133.486%0.86467%0.672SS**THydrogen-bonded Turntrans-88.40.5-175.6-137.5176.5-178-171.10.9115.3S237 R238 R242S237-R240 PolarHBondContact O-N 3.34Å; R238-R240 PolarHBondContact O-N 3.14Å; R240-R242 VanDerWaalsContact C-N 3.34Å; R240-R242 PolarHBondContact O-N 3.26Å
241R58.6Low69.9Low235 Ų235138.9 Ų138.989%0.88770%0.698SS**  trans-90.963.7171.6-63.9-165.9-178.8-161.81.5111.5
242R62Low68.2Low219 Ų219139.4 Ų139.483%0.82671%0.71SS**PPolyproline II helixtrans-86.8127.7157.2-68-173.7-179-172.9-0.4107R240 A244R240-R242 VanDerWaalsContact C-N 3.34Å; R240-R242 PolarHBondContact O-N 3.26Å; R242-A244 PolarHBondContact O-N 3.49Å
243P63.8Low66.6Low119 Ų119137.9 Ų137.977%0.77371%0.711SS**PPolyproline II helixtrans-57.2134.5170.524.3-30.8000108.1
244A63.8Low65.1Low86 Ų86138.1 Ų138.171%0.71171%0.712SS**PPolyproline II helixtrans-52.7134.4176.800000108.8R242 K246R242-A244 PolarHBondContact O-N 3.49Å; A244-K246 PolarHBondContact O-N 3.49Å; A244-K246 VanDerWaalsContact O-N 3.16Å
245P66.3Low63.9Low114 Ų114140.6 Ų140.674%0.7473%0.726SS**PPolyproline II helixtrans-55.5127.5175.423.4-31.4000107.6V247P245-V247 VanDerWaalsContact C-N 3.35Å; P245-V247 PolarHBondContact O-N 3.44Å
246K64.9Low62.8Low206 Ų206143 Ų14390%0.89674%0.739SS**  trans-59.8103.4174.4-77.9177.6176.2-1790106.9A244 E248A244-K246 PolarHBondContact O-N 3.49Å; A244-K246 VanDerWaalsContact O-N 3.16Å; K246-E248 PolarHBondContact O-N 3.2Å
247V71.3Confident62.5Low121 Ų121142 Ų14273%0.73374%0.74SS**  trans-70.4110.5170177.10000105.4P245 T249P245-V247 VanDerWaalsContact C-N 3.35Å; P245-V247 PolarHBondContact O-N 3.44Å; V247-T249 VanDerWaalsContact C-N 3.32Å; V247-T249 PolarHBondContact O-N 2.85Å
248E72.4Confident62.7Low186 Ų186144.1 Ų144.187%0.86975%0.746SS**  trans-64.395173.2-65.4-178.4171.400108.2K246 G250K246-E248 PolarHBondContact O-N 3.2Å; E248-G250 VanDerWaalsContact C-N 3.33Å; E248-G250 PolarHBondContact O-N 3.16Å
249T62.2Low63.2Low117 Ų117138 Ų13872%0.71873%0.728SS**  trans-69.897.4164.247.80000107.1V247V247-T249 VanDerWaalsContact C-N 3.32Å; V247-T249 PolarHBondContact O-N 2.85Å
250G60Low64Low58 Ų58134.8 Ų134.860%0.59873%0.726SS**  trans-53.8136.7178.200000113.4E248 S252E248-G250 VanDerWaalsContact C-N 3.33Å; E248-G250 PolarHBondContact O-N 3.16Å; G250-S252 PolarHBondContact O-N 3.03Å; G250-S252 VanDerWaalsContact O-N 3.16Å
251T61.9Low65Low151 Ų151133.5 Ų133.593%0.92672%0.721SS**SBendtrans44.448.7154.5650000118.1
252S55.5Low66.1Low107 Ų107123.9 Ų123.975%0.74869%0.687SS**  trans-106.713.216573.20000113.9G250G250-S252 PolarHBondContact O-N 3.03Å; G250-S252 VanDerWaalsContact O-N 3.16Å
253S56.3Low67Low73 Ų73117.7 Ų117.751%0.5168%0.675SS.*  trans-91.795.8167.8-178.80000108.7N255S253-N255 PolarHBondContact O-N 2.89Å
254H57.9Low67.6Low132 Ų132119.8 Ų119.861%0.61168%0.675SS**THydrogen-bonded Turntrans-82.55.4177.2-129.324.9000112.8R274H254-R274 PolarHBondContact CD2-NH1 3.16Å; H254-R274 PolarHBondContact NE2-NH1 3.41Å
255N59.5Low68.4Low157 Ų157123.6 Ų123.684%0.8468%0.678SS**THydrogen-bonded Turntrans-96.4-12.9-175.4-101.32.4000114.2S253S253-N255 PolarHBondContact O-N 2.89Å
256D59.7Low69Low152 Ų152121 Ų12181%0.81366%0.66SS**SBendtrans-10420.9179.8-86.7-25000113.1
257V68.3Low69.8Low82 Ų82113 Ų11350%0.49763%0.627SS.*  trans-99.2107.2177.1-172.30000108.6L259V257-L259 WeakPolarHBondContact O-CD1 3.39Å; V257-L259 PolarHBondContact O-N 3.03Å
258D70.7Confident70.1Confident116 Ų116111.4 Ų111.462%0.6261%0.614SS**  trans-67.8119.8174.5-172.94.3000110.4S260D258-S260 WeakPolarHBondContact OD1-CB 3.29Å; D258-S260 PolarHBondContact OD1-N 3.14Å; D258-S260 PolarHBondContact OD1-OG 3.04Å; D258-S260 PolarHBondContact OD2-OG 3.32Å
259L74.9Confident70.4Confident75 Ų75108.9 Ų108.939%0.39360%0.602SS.*  trans-98.78.7-177.6-65.8124.5000112.6V257 W261 I262 L267V257-L259 WeakPolarHBondContact O-CD1 3.39Å; V257-L259 PolarHBondContact O-N 3.03Å; L259-W261 PolarHBondContact O-N 3.5Å; L259-W261 VanDerWaalsContact O-N 3.15Å; L259-I262 HydrophobicContact CD2-CD1 4.08Å; L259-I262 PolarHBondContact O-N 3.1Å; L259-L267 HydrophobicContact CB-CD1 3.74Å; L259-L267 HydrophobicContact CD2-CD1 4.44Å
260S76.8Confident71.3Confident95 Ų95106.2 Ų106.266%0.66458%0.583SS**THydrogen-bonded Turntrans-62.7-18.3-176.4620000115D258D258-S260 WeakPolarHBondContact OD1-CB 3.29Å; D258-S260 PolarHBondContact OD1-N 3.14Å; D258-S260 PolarHBondContact OD1-OG 3.04Å; D258-S260 PolarHBondContact OD2-OG 3.32Å
261W78.1Confident71.9Confident202 Ų202109 Ų10977%0.76558%0.582SS**THydrogen-bonded Turntrans-83.9-10.4-18073.7-86.9000114.3L259L259-W261 PolarHBondContact O-N 3.5Å; L259-W261 VanDerWaalsContact O-N 3.15Å
262I81.2Confident72.4Confident33 Ų33107.6 Ų107.617%0.16957%0.565CS.*SBendtrans-95132.9-177.1-55.9176.1000109.3L259 Q264L259-I262 HydrophobicContact CD2-CD1 4.08Å; L259-I262 PolarHBondContact O-N 3.1Å; I262-Q264 PolarHBondContact O-N 3Å
263P81.9Confident73.2Confident89 Ų89105.8 Ų105.858%0.57855%0.552SS**  trans-54.3136.7173.6-23.933.2000111.9E265 T266 L267P263-E265 PolarHBondContact O-N 3.31Å; P263-E265 VanDerWaalsContact O-N 3.09Å; P263-T266 PolarHBondContact O-N 3.45Å; P263-T266 PolarHBondContact O-OG1 3.15Å; P263-L267 PolarHBondContact O-N 2.9Å
264Q76.8Confident73.7Confident164 Ų164109.1 Ų109.177%0.76655%0.553SS**Hα-helixtrans-58.4-29.9-173.1-66.9-165.8-23.600113.5I262 T266 L267 N268I262-Q264 PolarHBondContact O-N 3Å; Q264-T266 VanDerWaalsContact C-N 3.33Å; Q264-T266 PolarHBondContact O-N 3.38Å; Q264-L267 PolarHBondContact O-N 2.99Å; Q264-N268 PolarHBondContact O-N 3.07Å; Q264-N268 VanDerWaalsContact O-N 3.13Å; Q264-N268 PolarHBondContact O-ND2 3.28Å
265E78.9Confident73.9Confident166 Ų166112.6 Ų112.678%0.77656%0.561SS**Hα-helixtrans-61.1-40.9175.6-129.5177.2178.900112.2P263 Q269P263-E265 PolarHBondContact O-N 3.31Å; P263-E265 VanDerWaalsContact O-N 3.09Å; E265-Q269 PolarHBondContact O-N 3.46Å
266T80.1Confident73.8Confident60 Ų60111.9 Ų111.937%0.36856%0.557SS.*Hα-helixtrans-75.3-36.5179.6-16.30000111.3P263 Q264 N268 Q269 I270P263-T266 PolarHBondContact O-N 3.45Å; P263-T266 PolarHBondContact O-OG1 3.15Å; Q264-T266 VanDerWaalsContact C-N 3.33Å; Q264-T266 PolarHBondContact O-N 3.38Å; T266-N268 VanDerWaalsContact C-N 3.34Å; T266-N268 PolarHBondContact O-N 2.99Å; T266-Q269 PolarHBondContact O-N 2.96Å; T266-I270 VanDerWaalsContact O-CG1 3.29Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.09Å
267L81.1Confident73.6Confident37 Ų37113 Ų11319%0.19456%0.555CS.*Hα-helixtrans-63-41.1178.3-171.1141.6000111.8L259 P263 Q264 I270 M271L259-L267 HydrophobicContact CB-CD1 3.74Å; L259-L267 HydrophobicContact CD2-CD1 4.44Å; P263-L267 PolarHBondContact O-N 2.9Å; Q264-L267 PolarHBondContact O-N 2.99Å; L267-I270 PolarHBondContact O-N 3.45Å; L267-M271 HydrophobicContact CD2-CE 3.66Å; L267-M271 HydrophobicContact CD2-CG 4.37Å; L267-M271 HydrophobicContact CD2-SD 3.86Å; L267-M271 WeakPolarHBondContact O-CG 3.46Å; L267-M271 PolarHBondContact O-N 3.16Å
268N78.6Confident72.7Confident88 Ų88113.8 Ų113.847%0.47157%0.569SS.*Hα-helixtrans-64.8-41.7177.2-70-24000112.1Q264 T266 I270 M271 Q272Q264-N268 PolarHBondContact O-N 3.07Å; Q264-N268 VanDerWaalsContact O-N 3.13Å; Q264-N268 PolarHBondContact O-ND2 3.28Å; T266-N268 VanDerWaalsContact C-N 3.34Å; T266-N268 PolarHBondContact O-N 2.99Å; N268-I270 PolarHBondContact O-N 3.05Å; N268-M271 PolarHBondContact O-N 3.42Å; N268-Q272 PolarHBondContact O-N 3.24Å; N268-Q272 PolarHBondContact O-OE1 3.19Å
269Q78.9Confident71.6Confident133 Ų133113 Ų11362%0.62157%0.573SS**Hα-helixtrans-62-39.9173.7-74.3-179.23.400112.7E265 T266 Q272 S273E265-Q269 PolarHBondContact O-N 3.46Å; T266-Q269 PolarHBondContact O-N 2.96Å; Q269-Q272 PolarHBondContact O-N 3.2Å; Q269-S273 WeakPolarHBondContact O-CB 3.19Å; Q269-S273 PolarHBondContact O-N 3.39Å; Q269-S273 PolarHBondContact O-OG 2.96Å; Q269-S273 VanDerWaalsContact O-OG 3.07Å
270I79.8Confident70.5Confident60 Ų60115.2 Ų115.231%0.30859%0.592SS.*Hα-helixtrans-65.7-41.8176.7-67164.2000110.7T266 L267 N268 S273 R274T266-I270 VanDerWaalsContact O-CG1 3.29Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.09Å; L267-I270 PolarHBondContact O-N 3.45Å; N268-I270 PolarHBondContact O-N 3.05Å; I270-S273 WeakPolarHBondContact CA-OG 3.49Å; I270-S273 PolarHBondContact O-N 3.29Å; I270-S273 PolarHBondContact O-OG 3.35Å; I270-R274 WeakPolarHBondContact O-CG 3.49Å; I270-R274 PolarHBondContact O-N 3.46Å; I270-R274 VanDerWaalsContact O-N 3.1Å
271M73.4Confident69Low117 Ų117122.4 Ų122.458%0.57661%0.605SS**Hα-helixtrans-65.5-40.2177.1-75.3-171.7172.200112.5L267 N268 R275L267-M271 HydrophobicContact CD2-CE 3.66Å; L267-M271 HydrophobicContact CD2-CG 4.37Å; L267-M271 HydrophobicContact CD2-SD 3.86Å; L267-M271 WeakPolarHBondContact O-CG 3.46Å; L267-M271 PolarHBondContact O-N 3.16Å; N268-M271 PolarHBondContact O-N 3.42Å; M271-R275 PolarHBondContact O-N 2.97Å
272Q73Confident67.3Low122 Ų122124.6 Ų124.657%0.5761%0.613SS**Hα-helixtrans-64.4-47.6175-98.8137.8-6.900111.9N268 Q269 R274 R275 D276N268-Q272 PolarHBondContact O-N 3.24Å; N268-Q272 PolarHBondContact O-OE1 3.19Å; Q269-Q272 PolarHBondContact O-N 3.2Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-R274 PolarHBondContact O-N 2.96Å; Q272-R275 PolarHBondContact O-N 3.28Å; Q272-R275 VanDerWaalsContact O-N 3.15Å; Q272-D276 PolarHBondContact O-N 3.47Å
273S70.5Confident65.6Low68 Ų68127.9 Ų127.948%0.47664%0.639SS.*Hα-helixtrans-65.6-28.6179.7610000114.6Q269 I270Q269-S273 WeakPolarHBondContact O-CB 3.19Å; Q269-S273 PolarHBondContact O-N 3.39Å; Q269-S273 PolarHBondContact O-OG 2.96Å; Q269-S273 VanDerWaalsContact O-OG 3.07Å; I270-S273 WeakPolarHBondContact CA-OG 3.49Å; I270-S273 PolarHBondContact O-N 3.29Å; I270-S273 PolarHBondContact O-OG 3.35Å
274R66.9Low64.3Low143 Ų143129.7 Ų129.754%0.5465%0.65SS.*Hα-helixtrans-73.5-33.3173.4-74.4-171.3-162.2-150.53.7112.8H254 I270 Q272 D276 K277H254-R274 PolarHBondContact CD2-NH1 3.16Å; H254-R274 PolarHBondContact NE2-NH1 3.41Å; I270-R274 WeakPolarHBondContact O-CG 3.49Å; I270-R274 PolarHBondContact O-N 3.46Å; I270-R274 VanDerWaalsContact O-N 3.1Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-R274 PolarHBondContact O-N 2.96Å; R274-D276 VanDerWaalsContact C-N 3.27Å; R274-D276 PolarHBondContact O-N 3.46Å; R274-K277 PolarHBondContact O-N 3.42Å
275R62.3Low62.8Low206 Ų206133.8 Ų133.878%0.77766%0.659SS**Hα-helixtrans-65.5-34.1179.5-177.5170.5-83.3160.3-4.7111.5M271 Q272 K277M271-R275 PolarHBondContact O-N 2.97Å; Q272-R275 PolarHBondContact O-N 3.28Å; Q272-R275 VanDerWaalsContact O-N 3.15Å; R275-K277 VanDerWaalsContact C-N 3.27Å; R275-K277 PolarHBondContact O-N 3.15Å
276D57.5Low61.2Low141 Ų141135.3 Ų135.375%0.75466%0.663SS**THydrogen-bonded Turntrans-82.5-0.5-179.9-60.8-31.2000113.8Q272 R274Q272-D276 PolarHBondContact O-N 3.47Å; R274-D276 VanDerWaalsContact C-N 3.27Å; R274-D276 PolarHBondContact O-N 3.46Å
277K56.8Low59.7Low177 Ų177143 Ų14377%0.7769%0.685SS**THydrogen-bonded Turntrans-122.131.6-173.5-143.6147.6-173.1178.40114.4R274 R275 S279R274-K277 PolarHBondContact O-N 3.42Å; R275-K277 VanDerWaalsContact C-N 3.27Å; R275-K277 PolarHBondContact O-N 3.15Å; K277-S279 PolarHBondContact O-N 3.28Å
278A49Very low57.9Low97 Ų97148.8 Ų148.880%0.80272%0.716SS**  trans-71.593.7167.100000110.4
279S48.2Very low56.4Low101 Ų101152.7 Ų152.771%0.70673%0.731SS**PPolyproline II helixtrans-53.2151.7179.9172.60000115.2K277K277-S279 PolarHBondContact O-N 3.28Å
280P50Low54.9Low120 Ų120156.5 Ų156.578%0.77975%0.746SS**PPolyproline II helixtrans-68.9147.3170.3-0.915.9000112.1
281R45.7Very low53.3Low247 Ų247165.4 Ų165.493%0.93278%0.776SS**PPolyproline II helixtrans-60.5129.1-176.6-74.8159.179.71764.3112.8
282R42Very low52Low247 Ų247165.3 Ų165.393%0.93279%0.787SS**PPolyproline II helixtrans-62.9126.6169-168.2175.9-176.9-175.91.7110.4
283S46.2Very low50.7Low103 Ų103164.2 Ų164.272%0.7280%0.799SS**PPolyproline II helixtrans-73.3153.3-177.8550000113.3
284P55.6Low49.3Very low126 Ų126164.2 Ų164.282%0.81881%0.809SS**PPolyproline II helixtrans-83.6131.1-175.731.5-30.6000112.2K286P284-K286 PolarHBondContact O-N 3.3Å
285R45.6Very low48.1Very low251 Ų251163 Ų16395%0.94782%0.822SS**PPolyproline II helixtrans-68.7122.5177.4-174.4173.7172.1133.4-4110.5
286K45.1Very low47.2Very low197 Ų197160.4 Ų160.486%0.85782%0.824SS**PPolyproline II helixtrans-57.4134.3177-79.9179.9173.3-179.40112.1P284P284-K286 PolarHBondContact O-N 3.3Å
287R47.2Very low46.2Very low223 Ų223166.6 Ų166.684%0.84285%0.848SS**  trans-96.4111.8170173.2177150.1-174.3-6.7107.9Q289R287-Q289 PolarHBondContact O-N 3.13Å
288N44.3Very low45.7Very low157 Ų157166.1 Ų166.184%0.8485%0.852SS**PPolyproline II helixtrans-71.9122.1172.9-82.6-3000109.7
289Q47.8Very low45.5Very low170 Ų170169.7 Ų169.779%0.79486%0.855SS**PPolyproline II helixtrans-79.5131.2164.5-78.3175.8-20.800108.9R287R287-Q289 PolarHBondContact O-N 3.13Å
290K45.7Very low45.4Very low213 Ų213173.5 Ų173.593%0.92686%0.863SS**PPolyproline II helixtrans-73.2129.6165.9-91.7179.1170.4-176.50108.5
291R46.1Very low45.1Very low247 Ų247176.6 Ų176.693%0.93287%0.868SS**PPolyproline II helixtrans-67.4142.3172-72.7172.9143.3-174.1-9.1110.7
292S46.5Very low45.1Very low116 Ų116172.3 Ų172.381%0.81186%0.864SS**PPolyproline II helixtrans-80.1129.1159.449.10000109.6
293A46.5Very low45.3Very low99 Ų99167.3 Ų167.382%0.81886%0.86SS**PPolyproline II helixtrans-74.8132154.400000106.8
294G39.9Very low45.2Very low67 Ų67171.9 Ų171.969%0.69187%0.869SS**  72.794.361.400000107
295S42.2Very low44.4Very low117 Ų117175.4 Ų175.482%0.81887%0.873SS**  49.882.557.7-174.80000112.5
296D42.5Very low44.3Very low152 Ų152169.1 Ų169.181%0.81387%0.867SS**  -166.5148123.6-109.4-17.8000109.8
297E38Very low44.2Very low271 Ų271166.5 Ų166.5100%1.26687%0.868SS**  trans76.60177.4-68.3170.8129.500118.7

Retrieved 297 of 297 residues in 354.6 ms (Link to these results)