A0A087X332_POEFO Loading...

Ras association domain family member 3

AlphaFold DB , UniProt , Accession A0A087X332, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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
1M41.6Very low36.1Very low238 Ų238160.6 Ų160.6100%1.17288%0.88SS**  099.60-73.6-179.717500107.8
2T39.3Very low35.7Very low129 Ų129157.2 Ų157.279%0.79188%0.876SS**  trans-154.4114.8173.338.70000106.4
3W35.3Very low35.8Very low253 Ų253152.3 Ų152.396%0.95886%0.86SS**  trans-99.3124.2176.7-91.550.5000108.5
4N36.3Very low35.8Very low152 Ų152151.9 Ų151.981%0.81385%0.853SS**  trans-128.9122.5169.7-57.816.2000108.2
5S39.5Very low35.6Very low114 Ų114152.7 Ų152.780%0.79785%0.847SS**  trans-69.7147.9172.5-53.30000112.2
6T37.1Very low36Very low145 Ų145153.5 Ų153.589%0.8984%0.843SS**  trans-157.6135.4145-69.40000109.7
7M34.2Very low35.8Very low185 Ų185154.4 Ų154.491%0.91185%0.846SS**  trans-69.2148.2-179.9-64.8165.962.700112.3
8S34.6Very low36.1Very low125 Ų125150.9 Ų150.987%0.87484%0.835SS**  trans-128.1122.2167.8-172.60000110.1
9S35.5Very low36.2Very low119 Ų119151.4 Ų151.483%0.83283%0.83SS**  trans-93.9145.4168.2680000110.3
10G30.9Very low36.3Very low69 Ų69151.5 Ų151.571%0.71182%0.824SS**  trans139.9105.8153.100000116.3
11Y33.3Very low36.3Very low238 Ų238153.1 Ų153.193%0.93382%0.82SS**  trans64.3113.9136.5-107.4-94.2000121.8
12S30.9Very low35.8Very low119 Ų119149.4 Ų149.483%0.83280%0.797SS**  trans163.6143.4135.9-124.40000107
13S36.6Very low35.6Very low94 Ų94153.1 Ų153.166%0.65780%0.803SS**  cis-168.4160.113.9174.20000107.4
14L36.4Very low35.8Very low147 Ų147146.8 Ų146.877%0.7779%0.793SS**  trans-5.3138.9161.2-74.778.2000118.3
15E32.4Very low35.6Very low163 Ų163144.5 Ų144.576%0.76279%0.794SS**  -173.5147.288.7-89.1-167.1170.400112.6
16E42.4Very low35.5Very low166 Ų166149.8 Ų149.878%0.77680%0.797SS**  trans46.4102.6151.9-66.5-178.3156.800119.6
17D33.1Very low35.8Very low168 Ų168149.4 Ų149.490%0.89879%0.794SS**  trans-120.1111.2144-140.4-0.1000108.7
18S39.8Very low35.9Very low92 Ų92145.5 Ų145.564%0.64379%0.785SS**  trans-72.3127.5-176.1-59.80000108.8E20S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 PolarHBondContact O-N 3.02Å
19E38.4Very low36.2Very low160 Ų160149.2 Ų149.275%0.74879%0.786SS**  trans-6587.7173.4-66.8177.2155.600110.6Y21E19-Y21 HydrophobicContact CB-CD2 4.01Å; E19-Y21 HydrophobicContact CB-CE2 3.87Å; E19-Y21 PolarHBondContact O-N 3.23Å; E19-Y21 VanDerWaalsContact O-N 3.08Å
20E38.9Very low36.1Very low154 Ų154153.9 Ų153.972%0.7279%0.792SS**  trans-75.991.1165.1-81.7-167.8154.400110.1S18 F22S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 PolarHBondContact O-N 3.02Å; E20-F22 HydrophobicContact CB-CD2 4.13Å; E20-F22 HydrophobicContact CB-CE2 3.77Å; E20-F22 HydrophobicContact CG-CE2 4.29Å; E20-F22 PolarHBondContact O-N 2.95Å; E20-F22 VanDerWaalsContact O-N 3.11Å; E20-F22 WeakPolarHBondContact OE2-CE2 3.45Å
21Y35.3Very low36.4Very low186 Ų186160 Ų16073%0.72980%0.799SS**  trans-67.997.4168.1-82.7-92.3000111E19E19-Y21 HydrophobicContact CB-CD2 4.01Å; E19-Y21 HydrophobicContact CB-CE2 3.87Å; E19-Y21 PolarHBondContact O-N 3.23Å; E19-Y21 VanDerWaalsContact O-N 3.08Å
22F32.3Very low36.7Very low159 Ų159157.6 Ų157.670%0.69779%0.793SS**  trans-94.5115.5164.5-72.2-76.4000111.8E20 T24E20-F22 HydrophobicContact CB-CD2 4.13Å; E20-F22 HydrophobicContact CB-CE2 3.77Å; E20-F22 HydrophobicContact CG-CE2 4.29Å; E20-F22 PolarHBondContact O-N 2.95Å; E20-F22 VanDerWaalsContact O-N 3.11Å; E20-F22 WeakPolarHBondContact OE2-CE2 3.45Å; F22-T24 PolarHBondContact O-N 3.07Å; F22-T24 VanDerWaalsContact O-N 3.11Å
23F35.4Very low36.9Very low208 Ų208157.9 Ų157.991%0.91279%0.792SS**  trans-63.1102.1170.4-79.3-97.5000110.7
24T38.2Very low37.4Very low120 Ų120159.8 Ų159.874%0.73680%0.8SS**  trans-94120.6161.715.70000108.8F22 R26F22-T24 PolarHBondContact O-N 3.07Å; F22-T24 VanDerWaalsContact O-N 3.11Å; T24-R26 PolarHBondContact O-N 2.69Å
25A32.9Very low37.2Very low103 Ų103155.8 Ų155.885%0.85180%0.795SS**  trans-61.8104.4172.300000109.5T27A25-T27 PolarHBondContact O-N 3.27Å
26R35.9Very low37.8Very low225 Ų225158.4 Ų158.485%0.84980%0.803SS**  trans-77.9110.5173-87.9-175152.6105.5-3.2109.4T24T24-R26 PolarHBondContact O-N 2.69Å
27T45.1Very low37.3Very low137 Ų137156.7 Ų156.784%0.8480%0.804SS**  trans-85.4121155.560.70000107.5A25A25-T27 PolarHBondContact O-N 3.27Å
28S34.9Very low37.5Very low103 Ų103154.9 Ų154.972%0.7280%0.799SS**  trans-149.1105.7172.762.30000111.5
29F41.3Very low37.1Very low203 Ų203155.9 Ų155.989%0.8980%0.797SS**  trans-77.6111.4157.1-73.8-91000108.5
30F34.4Very low36.8Very low218 Ų218153.3 Ų153.396%0.95680%0.797SS**  trans-169.6146.5149.7-111.4-79.8000110
31K36.2Very low36.6Very low198 Ų198152.9 Ų152.986%0.86179%0.793SS**  trans-89.4137.1-170.1-107.9174.5175.8173.30113.8
32K39.6Very low36.8Very low187 Ų187152.1 Ų152.181%0.81380%0.801SS**  trans66.8143.6148.7-93.2-178.6178.8-1780119.7
33P34.3Very low37.3Very low124 Ų124149.9 Ų149.981%0.80580%0.801SS**  -135.217655.136.1-16.8000117
34T47.6Very low37.4Very low135 Ų135146.7 Ų146.783%0.82879%0.788SS**  trans-59.3120.1-178.142.30000114.1
35G33Very low37.4Very low63 Ų63150.5 Ų150.565%0.64980%0.795SS**  trans-155.6124.2164.700000107.9V37G35-V37 PolarHBondContact O-N 3.29Å
36K45.5Very low37.8Very low217 Ų217152.3 Ų152.394%0.94379%0.785SS**  trans-55.8105.8-171.9-69.1176177.4177.70110.9
37V31.3Very low38.2Very low131 Ų131152.1 Ų152.179%0.79479%0.785SS**  trans-101.7120159.4179.60000105.1G35 D39G35-V37 PolarHBondContact O-N 3.29Å; V37-D39 PolarHBondContact O-N 2.94Å
38T36.9Very low38.1Very low130 Ų130154.4 Ų154.480%0.79879%0.786SS**  trans-60.891.1170.4430000107.7S40T38-S40 PolarHBondContact O-N 3.32Å
39D30.6Very low39Very low113 Ų113152.5 Ų152.560%0.60477%0.77SS**  trans-5992.1161.4-167.716.7000105.9V37 K41V37-D39 PolarHBondContact O-N 2.94Å; D39-K41 HydrophobicContact CB-CG 4.27Å; D39-K41 VanDerWaalsContact CG-CG 3.42Å; D39-K41 PolarHBondContact O-N 3.31Å; D39-K41 WeakPolarHBondContact OD2-CE 3.44Å; D39-K41 WeakPolarHBondContact OD2-CG 3.39Å
40S33.8Very low39.9Very low106 Ų106151 Ų15174%0.74176%0.758SS**  trans-67.372.7156.8-630000105.9T38 D42T38-S40 PolarHBondContact O-N 3.32Å; S40-D42 PolarHBondContact O-N 3.44Å
41K33.3Very low41.2Very low145 Ų145145.9 Ų145.963%0.6375%0.745SS**  trans-51.2115.3157.7-66-177.7176.1177.50104.3D39 V43D39-K41 HydrophobicContact CB-CG 4.27Å; D39-K41 VanDerWaalsContact CG-CG 3.42Å; D39-K41 PolarHBondContact O-N 3.31Å; D39-K41 WeakPolarHBondContact OD2-CE 3.44Å; D39-K41 WeakPolarHBondContact OD2-CG 3.39Å; K41-V43 HydrophobicContact CB-CG2 3.67Å; K41-V43 HydrophobicContact CD-CG2 4.45Å; K41-V43 PolarHBondContact O-N 2.82Å
42D39.1Very low43Very low170 Ų170143.9 Ų143.991%0.90974%0.739SS**  trans-60.971.6158.5-76-44.6000107.4S40 E44S40-D42 PolarHBondContact O-N 3.44Å; D42-E44 PolarHBondContact O-N 3.42Å
43V43.2Very low45.1Very low112 Ų112137 Ų13768%0.67971%0.709SS**  trans-87.196.7159.9-177.70000103.6K41K41-V43 HydrophobicContact CB-CG2 3.67Å; K41-V43 HydrophobicContact CD-CG2 4.45Å; K41-V43 PolarHBondContact O-N 2.82Å
44E37.6Very low47.7Very low140 Ų140133.4 Ų133.465%0.65469%0.687SS**  -155.1113.5128.6-110.1176.9-141.400107.2D42 E46 R161D42-E44 PolarHBondContact O-N 3.42Å; E44-E46 PolarHBondContact O-N 2.94Å; E44-R161 IonicContact OE2-CZ 3.95Å; E44-R161 IonicContact OE2-NH1 2.94Å; E44-R161 PolarHBondContact OE2-NH1 3.37Å
45K37.8Very low49.7Very low200 Ų200133.7 Ų133.787%0.8767%0.673SS**  trans-34.1110.3161.1-86.3172.4166.11750107.5R47K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.48Å
46E42.5Very low52.5Low141 Ų141136.1 Ų136.166%0.65967%0.667SS**  trans-47.1114.7152.7-83.5-166.6125.500104.3E44 E48 K157E44-E46 PolarHBondContact O-N 2.94Å; E46-E48 PolarHBondContact O-N 2.9Å; E46-K157 IonicContact OE1-NZ 3.17Å; E46-K157 PolarHBondContact OE1-NZ 2.88Å
47R43.9Very low54.7Low222 Ų222129.1 Ų129.184%0.83864%0.638SS**  trans-55.6102158.8-80.4179.8172.2-179.4-2.2102.7K45 V49K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.48Å; R47-V49 PolarHBondContact O-N 3.36Å
48E43Very low57.7Low185 Ų185123.9 Ų123.986%0.86461%0.605SS**  trans-48.2103.8166.9-90179.7151.500104.5E46 R50E46-E48 PolarHBondContact O-N 2.9Å; E48-R50 PolarHBondContact O-N 3.41Å
49V53.7Low60.4Low62 Ų62121 Ų12138%0.37658%0.582SS.*  trans-66.2103.5174.8177.60000102.1R47 T51 F178 V182R47-V49 PolarHBondContact O-N 3.36Å; V49-T51 WeakPolarHBondContact O-CG2 3.36Å; V49-T51 PolarHBondContact O-N 3.31Å; V49-F178 HydrophobicContact CG1-CE1 4.15Å; V49-V182 HydrophobicContact CG1-CB 4.42Å; V49-V182 HydrophobicContact CG1-CG1 3.96Å; V49-V182 HydrophobicContact CG1-CG2 4.1Å
50R60.6Low63.5Low172 Ų172122 Ų12265%0.64958%0.584SS**  trans-36.1111.7179.2-147.7179.6-175.7-163.4-0.6107.7E48 E52 F53 F178E48-R50 PolarHBondContact O-N 3.41Å; R50-E52 PolarHBondContact O-N 2.94Å; R50-F53 HydrophobicContact CB-CE1 4.49Å; R50-F178 WeakPolarHBondContact O-CE1 3.38Å; R50-F178 WeakPolarHBondContact O-CZ 3.31Å
51T62.2Low66.5Low110 Ų110119.5 Ų119.568%0.67556%0.559SS**SBendtrans-77.5-4.6-167.846.50000112.7V49V49-T51 WeakPolarHBondContact O-CG2 3.36Å; V49-T51 PolarHBondContact O-N 3.31Å
52E73.1Confident69.5Low157 Ų157112.7 Ų112.773%0.73453%0.53SS*.  trans-138.3121.8-172.9-60.2-177-175.300109.1R50R50-E52 PolarHBondContact O-N 2.94Å
53F83.6Confident72.2Confident43 Ų43108.7 Ų108.719%0.18951%0.508CS..  trans-114.1151.8170.1-72.2-52.1000108.4R50 E57 I58 K61 F178 V182R50-F53 HydrophobicContact CB-CE1 4.49Å; F53-E57 VanDerWaalsContact CA-OE2 3.3Å; F53-E57 WeakPolarHBondContact CA-OE2 3.43Å; F53-E57 HydrophobicContact CB-CB 3.86Å; F53-E57 HydrophobicContact CD1-CB 4.41Å; F53-E57 HydrophobicContact CG-CB 4.35Å; F53-I58 HydrophobicContact CB-CD1 4.43Å; F53-I58 HydrophobicContact CB-CG1 3.75Å; F53-K61 HydrophobicContact CD2-CD 4.14Å; F53-K61 HydrophobicContact CE2-CD 3.9Å; F53-K61 HydrophobicContact CZ-CD 4.38Å; F53-F178 AromaticContact CD2-CE2 3.45Å; F53-F178 HydrophobicContact CD2-CE2 3.45Å; F53-F178 VanDerWaalsContact CD2-CE2 3.45Å; F53-F178 AromaticContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CE2-CE1 4.3Å; F53-F178 AromaticContact CE2-CE2 3.76Å; F53-F178 HydrophobicContact CE2-CE2 3.76Å; F53-F178 AromaticContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CG-CE2 4.46Å; F53-F178 HydrophobicContact CG-CZ 4.49Å; F53-F178 HydrophobicContact CZ-CZ 4.31Å; F53-V182 HydrophobicContact CE2-CG2 3.66Å; F53-V182 HydrophobicContact CZ-CG2 4.25Å
54S89.1Confident74.7Confident48 Ų48109 Ų10934%0.33650%0.502SS..  trans-63.5161.4170.695.50000110.6E56 E57 I58S54-E56 WeakPolarHBondContact CB-OE2 3.45Å; S54-E56 PolarHBondContact O-N 3.48Å; S54-E56 PolarHBondContact OG-N 3.02Å; S54-E56 PolarHBondContact OG-OE2 2.95Å; S54-E57 PolarHBondContact N-OE2 3.31Å; S54-E57 PolarHBondContact O-N 3.48Å; S54-E57 PolarHBondContact OG-N 3.43Å; S54-I58 WeakPolarHBondContact O-CG1 3.33Å; S54-I58 PolarHBondContact O-N 3.17Å
55R89.4Confident77.4Confident141 Ų141103 Ų10353%0.53247%0.474SS..Hα-helixtrans-57.9-38.4177.4-178.9174.8176.1-104.5-0.8111.7I58 Q59 L77R55-I58 PolarHBondContact O-N 3.32Å; R55-Q59 WeakPolarHBondContact O-CB 3.41Å; R55-Q59 PolarHBondContact O-N 3.31Å; R55-L77 HydrophobicContact CG-CD2 4.27Å
56E92.1Very high80.2Confident113 Ų11394.9 Ų94.953%0.52844%0.44SS..Hα-helixtrans-68.4-42.3178.5-56.969.1-145.900111.1S54 Q59 Q60S54-E56 WeakPolarHBondContact CB-OE2 3.45Å; S54-E56 PolarHBondContact O-N 3.48Å; S54-E56 PolarHBondContact OG-N 3.02Å; S54-E56 PolarHBondContact OG-OE2 2.95Å; E56-Q59 PolarHBondContact O-N 2.96Å; E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3.04Å
57E92.5Very high82.7Confident71 Ų7192.5 Ų92.533%0.33244%0.439SS..Hα-helixtrans-63.4-41.2174.8-71.817913800111.7F53 S54 Q60 K61F53-E57 VanDerWaalsContact CA-OE2 3.3Å; F53-E57 WeakPolarHBondContact CA-OE2 3.43Å; F53-E57 HydrophobicContact CB-CB 3.86Å; F53-E57 HydrophobicContact CD1-CB 4.41Å; F53-E57 HydrophobicContact CG-CB 4.35Å; S54-E57 PolarHBondContact N-OE2 3.31Å; S54-E57 PolarHBondContact O-N 3.48Å; S54-E57 PolarHBondContact OG-N 3.43Å; E57-Q60 PolarHBondContact O-N 2.94Å; E57-K61 WeakPolarHBondContact O-CB 3.25Å; E57-K61 PolarHBondContact O-N 2.69Å
58I93.4Very high85Confident21 Ų2186.9 Ų86.911%0.10843%0.425CS..Hα-helixtrans-61.5-46.6174.8-68.7171.6000110F53 S54 R55 Q60 K61 I62 L77 F83 L181F53-I58 HydrophobicContact CB-CD1 4.43Å; F53-I58 HydrophobicContact CB-CG1 3.75Å; S54-I58 WeakPolarHBondContact O-CG1 3.33Å; S54-I58 PolarHBondContact O-N 3.17Å; R55-I58 PolarHBondContact O-N 3.32Å; I58-Q60 PolarHBondContact O-N 2.96Å; I58-K61 PolarHBondContact O-N 2.94Å; I58-I62 HydrophobicContact CG2-CD1 3.63Å; I58-I62 HydrophobicContact CG2-CG1 4.31Å; I58-I62 WeakPolarHBondContact O-CB 3.38Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.2Å; I58-I62 PolarHBondContact O-N 2.95Å; I58-L77 HydrophobicContact CG2-CD1 3.94Å; I58-F83 HydrophobicContact CD1-CE1 4.37Å; I58-F83 HydrophobicContact CG2-CD1 3.66Å; I58-F83 HydrophobicContact CG2-CE1 4.01Å; I58-F83 HydrophobicContact CG2-CG 4.3Å; I58-L181 HydrophobicContact CG2-CD2 4.35Å
59Q94.8Very high87.3Confident68 Ų6878.7 Ų78.732%0.31839%0.387SS..Hα-helixtrans-58.9-48.7178.1-177.258.954.300111.1R55 E56 K61 I62 D63 L77R55-Q59 WeakPolarHBondContact O-CB 3.41Å; R55-Q59 PolarHBondContact O-N 3.31Å; E56-Q59 PolarHBondContact O-N 2.96Å; Q59-K61 PolarHBondContact O-N 3.44Å; Q59-I62 PolarHBondContact O-N 3.36Å; Q59-I62 VanDerWaalsContact O-N 3.14Å; Q59-D63 VanDerWaalsContact NE2-CG 3.29Å; Q59-D63 PolarHBondContact NE2-OD1 2.82Å; Q59-D63 PolarHBondContact NE2-OD2 3.42Å; Q59-D63 VanDerWaalsContact O-CG 3.3Å; Q59-D63 PolarHBondContact O-N 3Å; Q59-L77 HydrophobicContact CB-CD2 4.05Å
60Q95.6Very high88.7Confident136 Ų13687.9 Ų87.964%0.63642%0.415SS*.Hα-helixtrans-60-43.7177.7-72.2177.115.400112.3E56 E57 I58 I62 D63 Q64E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3.04Å; E57-Q60 PolarHBondContact O-N 2.94Å; I58-Q60 PolarHBondContact O-N 2.96Å; Q60-I62 VanDerWaalsContact C-N 3.33Å; Q60-I62 PolarHBondContact O-N 3.41Å; Q60-D63 PolarHBondContact O-N 3.4Å; Q60-Q64 WeakPolarHBondContact O-CB 3.24Å; Q60-Q64 PolarHBondContact O-N 2.85Å
61K95.3Very high89.9Confident53 Ų5382.8 Ų82.823%0.2340%0.401CS..Hα-helixtrans-64.2-37.8175.7-82-170.5169.1-73.20112.2F53 E57 I58 Q59 Q64 Y65 L181F53-K61 HydrophobicContact CD2-CD 4.14Å; F53-K61 HydrophobicContact CE2-CD 3.9Å; F53-K61 HydrophobicContact CZ-CD 4.38Å; E57-K61 WeakPolarHBondContact O-CB 3.25Å; E57-K61 PolarHBondContact O-N 2.69Å; I58-K61 PolarHBondContact O-N 2.94Å; Q59-K61 PolarHBondContact O-N 3.44Å; K61-Q64 PolarHBondContact O-N 2.82Å; K61-Y65 VanDerWaalsContact O-CB 3.24Å; K61-Y65 WeakPolarHBondContact O-CB 3.24Å; K61-Y65 PolarHBondContact O-N 3Å; K61-L181 HydrophobicContact CB-CD1 3.82Å; K61-L181 HydrophobicContact CB-CD2 4.19Å; K61-L181 HydrophobicContact CB-CG 3.95Å; K61-L181 HydrophobicContact CD-CG 4.43Å
62I96.2Very high91.1Very high2 Ų288.2 Ų88.21%0.0141%0.41CS..Hα-helixtrans-65.7-43.2176.9-74.8170.4000110.2I58 Q59 Q60 Y65 N66 M75 L77 F83 L181I58-I62 HydrophobicContact CG2-CD1 3.63Å; I58-I62 HydrophobicContact CG2-CG1 4.31Å; I58-I62 WeakPolarHBondContact O-CB 3.38Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.2Å; I58-I62 PolarHBondContact O-N 2.95Å; Q59-I62 PolarHBondContact O-N 3.36Å; Q59-I62 VanDerWaalsContact O-N 3.14Å; Q60-I62 VanDerWaalsContact C-N 3.33Å; Q60-I62 PolarHBondContact O-N 3.41Å; I62-Y65 PolarHBondContact O-N 3.14Å; I62-N66 WeakPolarHBondContact CG2-ND2 3.27Å; I62-N66 VanDerWaalsContact O-CB 3.24Å; I62-N66 WeakPolarHBondContact O-CB 3.4Å; I62-N66 PolarHBondContact O-N 2.87Å; I62-N66 PolarHBondContact O-ND2 2.9Å; I62-M75 HydrophobicContact CG1-CB 4.18Å; I62-M75 HydrophobicContact CG2-CB 4.09Å; I62-M75 WeakPolarHBondContact CG2-O 3.36Å; I62-L77 HydrophobicContact CD1-CB 3.87Å; I62-L77 HydrophobicContact CD1-CD1 4.35Å; I62-F83 HydrophobicContact CD1-CB 3.6Å; I62-F83 HydrophobicContact CD1-CD2 4.24Å; I62-F83 HydrophobicContact CD1-CG 3.91Å; I62-L181 HydrophobicContact CB-CD1 4.49Å; I62-L181 HydrophobicContact CG1-CD1 3.74Å; I62-L181 HydrophobicContact CG1-CD2 4.25Å
63D96.2Very high92Very high85 Ų8582.5 Ų82.546%0.45539%0.385SS..Hα-helixtrans-64-43.6177.9-66.5-31.2000111Q59 Q60 N66 S67Q59-D63 VanDerWaalsContact NE2-CG 3.29Å; Q59-D63 PolarHBondContact NE2-OD1 2.82Å; Q59-D63 PolarHBondContact NE2-OD2 3.42Å; Q59-D63 VanDerWaalsContact O-CG 3.3Å; Q59-D63 PolarHBondContact O-N 3Å; Q60-D63 PolarHBondContact O-N 3.4Å; D63-N66 PolarHBondContact O-N 2.91Å; D63-S67 WeakPolarHBondContact O-CB 3.44Å; D63-S67 PolarHBondContact O-N 2.97Å
64Q95.8Very high92.5Very high118 Ų11885.4 Ų85.455%0.55140%0.397SS*.Hα-helixtrans-60.4-49.6173.4-173-179.722.200111.4Q60 K61 N66 S67 L68Q60-Q64 WeakPolarHBondContact O-CB 3.24Å; Q60-Q64 PolarHBondContact O-N 2.85Å; K61-Q64 PolarHBondContact O-N 2.82Å; Q64-N66 PolarHBondContact O-N 2.94Å; Q64-S67 PolarHBondContact O-N 3.47Å; Q64-S67 PolarHBondContact O-OG 2.8Å; Q64-L68 HydrophobicContact CG-CD1 4.4Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.19Å
65Y95.6Very high92.8Very high16 Ų1683.2 Ų83.26%0.06338%0.382CS..Hα-helixtrans-55.2-52.5177.2-177.8-82.1000110.6K61 I62 S67 L68 T69 M75 R180 P185K61-Y65 VanDerWaalsContact O-CB 3.24Å; K61-Y65 WeakPolarHBondContact O-CB 3.24Å; K61-Y65 PolarHBondContact O-N 3Å; I62-Y65 PolarHBondContact O-N 3.14Å; Y65-S67 VanDerWaalsContact C-N 3.28Å; Y65-S67 PolarHBondContact O-N 2.9Å; Y65-L68 PolarHBondContact O-N 3.18Å; Y65-L68 VanDerWaalsContact O-N 3.07Å; Y65-T69 WeakPolarHBondContact CD1-OG1 3.28Å; Y65-T69 VanDerWaalsContact CE1-OG1 3.25Å; Y65-T69 WeakPolarHBondContact CE1-OG1 3.44Å; Y65-T69 PolarHBondContact O-N 2.73Å; Y65-T69 PolarHBondContact O-OG1 3.3Å; Y65-M75 HydrophobicContact CD1-CE 4.4Å; Y65-M75 HydrophobicContact CD1-CG 3.89Å; Y65-M75 HydrophobicContact CD1-SD 4.43Å; Y65-M75 HydrophobicContact CD2-CE 4.07Å; Y65-M75 HydrophobicContact CE1-CE 4.06Å; Y65-M75 HydrophobicContact CE1-CG 3.87Å; Y65-M75 HydrophobicContact CE2-CE 3.69Å; Y65-M75 HydrophobicContact CG-CE 4.43Å; Y65-M75 HydrophobicContact CG-SD 4.5Å; Y65-R180 HydrophobicContact CE2-CG 3.93Å; Y65-P185 HydrophobicContact CD2-CB 4.31Å; Y65-P185 HydrophobicContact CD2-CG 4.49Å; Y65-P185 HydrophobicContact CE1-CB 4.16Å; Y65-P185 VanDerWaalsContact CE2-CA 3.44Å; Y65-P185 HydrophobicContact CE2-CB 3.77Å; Y65-P185 HydrophobicContact CE2-CG 4.4Å; Y65-P185 VanDerWaalsContact CE2-N 3.27Å
66N95.9Very high93.1Very high29 Ų2980.4 Ų80.416%0.15538%0.38CS..Hα-helixtrans-65.6-27.8-177.2-73.7-16.7000113.9I62 D63 Q64 L68 K74 M75I62-N66 WeakPolarHBondContact CG2-ND2 3.27Å; I62-N66 VanDerWaalsContact O-CB 3.24Å; I62-N66 WeakPolarHBondContact O-CB 3.4Å; I62-N66 PolarHBondContact O-N 2.87Å; I62-N66 PolarHBondContact O-ND2 2.9Å; D63-N66 PolarHBondContact O-N 2.91Å; Q64-N66 PolarHBondContact O-N 2.94Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-K74 HydrophobicContact CB-CD 4.29Å; N66-K74 HydrophobicContact CB-CG 4.44Å; N66-K74 WeakPolarHBondContact OD1-CA 3.41Å; N66-K74 VanDerWaalsContact OD1-CB 3.27Å; N66-K74 WeakPolarHBondContact OD1-CB 3.44Å; N66-M75 PolarHBondContact ND2-O 2.89Å; N66-M75 PolarHBondContact OD1-N 2.84Å
67S94.9Very high93.3Very high91 Ų9176.2 Ų76.264%0.63636%0.362SS*.Hα-helixtrans-70.4-31.5173.9760000112.5D63 Q64 Y65D63-S67 WeakPolarHBondContact O-CB 3.44Å; D63-S67 PolarHBondContact O-N 2.97Å; Q64-S67 PolarHBondContact O-N 3.47Å; Q64-S67 PolarHBondContact O-OG 2.8Å; Y65-S67 VanDerWaalsContact C-N 3.28Å; Y65-S67 PolarHBondContact O-N 2.9Å
68L92.8Very high93.4Very high103 Ų10375.5 Ų75.554%0.53936%0.36SS..Hα-helixtrans-88.6-21.3179-63.4173.9000112.4Q64 Y65 N66 R70 P185Q64-L68 HydrophobicContact CG-CD1 4.4Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.19Å; Y65-L68 PolarHBondContact O-N 3.18Å; Y65-L68 VanDerWaalsContact O-N 3.07Å; N66-L68 VanDerWaalsContact C-N 3.34Å; L68-R70 PolarHBondContact O-N 3.27Å; L68-P185 HydrophobicContact CB-CG 3.69Å
69T89.9Confident93.3Very high13 Ų1380.2 Ų80.28%0.0839%0.392CS..  trans-68.4117.6177.5-59.10000110.9Y65 D71 K74Y65-T69 WeakPolarHBondContact CD1-OG1 3.28Å; Y65-T69 VanDerWaalsContact CE1-OG1 3.25Å; Y65-T69 WeakPolarHBondContact CE1-OG1 3.44Å; Y65-T69 PolarHBondContact O-N 2.73Å; Y65-T69 PolarHBondContact O-OG1 3.3Å; T69-D71 WeakPolarHBondContact CG2-O 3.48Å; T69-D71 WeakPolarHBondContact CG2-OD1 3.3Å; T69-K74 HydrophobicContact CG2-CG 4.24Å
70R83.3Confident93Very high255 Ų25582.5 Ų82.596%0.96241%0.411SS*.  trans-88.4-19.5179.1-60.2-177.9-177.8176.50.4113.6L68L68-R70 PolarHBondContact O-N 3.27Å
71D85.7Confident92.6Very high66 Ų6677.2 Ų77.235%0.35339%0.393SS..SBendtrans-99.4-177.4179.263.516.5000111.7T69 L73 K88T69-D71 WeakPolarHBondContact CG2-O 3.48Å; T69-D71 WeakPolarHBondContact CG2-OD1 3.3Å; D71-L73 PolarHBondContact O-N 3.29Å; D71-L73 VanDerWaalsContact OD1-CB 3.22Å; D71-L73 WeakPolarHBondContact OD1-CB 3.39Å; D71-L73 PolarHBondContact OD1-N 2.85Å; D71-L73 WeakPolarHBondContact OD2-CD1 3.47Å; D71-K88 IonicContact OD2-NZ 3.25Å; D71-K88 PolarHBondContact OD2-NZ 3.33Å
72Y87.6Confident92.6Very high223 Ų22375.9 Ų75.988%0.87539%0.389SS*.SBendtrans-79.46.5177.3-58.5-77.2000113K74Y72-K74 VanDerWaalsContact C-N 3.27Å; Y72-K74 PolarHBondContact O-N 3.25Å
73L92.2Very high92.5Very high37 Ų3776 Ų7619%0.19439%0.39CS..  trans-90.959.1-172.5-53.2-177.2000111.7D71 F86 T124D71-L73 PolarHBondContact O-N 3.29Å; D71-L73 VanDerWaalsContact OD1-CB 3.22Å; D71-L73 WeakPolarHBondContact OD1-CB 3.39Å; D71-L73 PolarHBondContact OD1-N 2.85Å; D71-L73 WeakPolarHBondContact OD2-CD1 3.47Å; L73-F86 HydrophobicContact CB-CB 3.99Å; L73-F86 HydrophobicContact CB-CD2 3.8Å; L73-F86 HydrophobicContact CB-CG 4Å; L73-F86 HydrophobicContact CD1-CB 4.46Å; L73-F86 HydrophobicContact CD2-CB 4.33Å; L73-F86 HydrophobicContact CD2-CD1 3.86Å; L73-F86 HydrophobicContact CD2-CD2 3.93Å; L73-F86 HydrophobicContact CD2-CE1 4.07Å; L73-F86 HydrophobicContact CD2-CE2 4.17Å; L73-F86 HydrophobicContact CD2-CG 3.77Å; L73-F86 HydrophobicContact CD2-CZ 4.23Å; L73-F86 HydrophobicContact CG-CB 4.5Å; L73-F86 HydrophobicContact CG-CD2 4.46Å; L73-F86 HydrophobicContact CG-CG 4.37Å; L73-T124 HydrophobicContact CD1-CG2 4.08Å; L73-T124 HydrophobicContact CD2-CG2 4.5Å
74K94Very high92.6Very high104 Ų10473.3 Ų73.345%0.45238%0.376SS..  trans-81.3162.6-179.2-67.9-172.1177.3-174.20112.4N66 T69 Y72N66-K74 HydrophobicContact CB-CD 4.29Å; N66-K74 HydrophobicContact CB-CG 4.44Å; N66-K74 WeakPolarHBondContact OD1-CA 3.41Å; N66-K74 VanDerWaalsContact OD1-CB 3.27Å; N66-K74 WeakPolarHBondContact OD1-CB 3.44Å; T69-K74 HydrophobicContact CG2-CG 4.24Å; Y72-K74 VanDerWaalsContact C-N 3.27Å; Y72-K74 PolarHBondContact O-N 3.25Å
75M96.1Very high92.6Very high3 Ų367.7 Ų67.72%0.01535%0.35CS..  trans-99.3147.8170.3-61.7-163.2-177.200110.9I62 Y65 N66 F83 T84 L177 R180 L181I62-M75 HydrophobicContact CG1-CB 4.18Å; I62-M75 HydrophobicContact CG2-CB 4.09Å; I62-M75 WeakPolarHBondContact CG2-O 3.36Å; Y65-M75 HydrophobicContact CD1-CE 4.4Å; Y65-M75 HydrophobicContact CD1-CG 3.89Å; Y65-M75 HydrophobicContact CD1-SD 4.43Å; Y65-M75 HydrophobicContact CD2-CE 4.07Å; Y65-M75 HydrophobicContact CE1-CE 4.06Å; Y65-M75 HydrophobicContact CE1-CG 3.87Å; Y65-M75 HydrophobicContact CE2-CE 3.69Å; Y65-M75 HydrophobicContact CG-CE 4.43Å; Y65-M75 HydrophobicContact CG-SD 4.5Å; N66-M75 PolarHBondContact ND2-O 2.89Å; N66-M75 PolarHBondContact OD1-N 2.84Å; M75-F83 HydrophobicContact SD-CD2 4.13Å; M75-F83 HydrophobicContact SD-CE2 4.11Å; M75-T84 CarbonylContact C-O 3.53Å; M75-T84 WeakPolarHBondContact CA-O 3.35Å; M75-L177 HydrophobicContact CE-CD1 3.79Å; M75-L177 HydrophobicContact CE-CG 4.32Å; M75-L177 HydrophobicContact SD-CD1 4.39Å; M75-R180 HydrophobicContact CE-CB 4.1Å; M75-R180 HydrophobicContact CE-CG 3.65Å; M75-L181 HydrophobicContact CE-CB 4.11Å; M75-L181 HydrophobicContact SD-CB 3.97Å; M75-L181 HydrophobicContact SD-CD1 3.71Å; M75-L181 HydrophobicContact SD-CG 4.36Å
76T96Very high92.6Very high81 Ų8169.6 Ų69.650%0.49736%0.358SS..EExtended strand (participates in β ladder)trans-130.5126.9-178.8-55.40000109.4F83 T84T76-F83 CarbonylContact O-C 3.52Å; T76-F83 WeakPolarHBondContact O-CA 3.26Å; T76-F83 WeakPolarHBondContact O-CB 3.45Å; T76-T84 PolarHBondContact N-O 3.25Å; T76-T84 PolarHBondContact O-N 3.05Å
77L96.3Very high92.6Very high26 Ų2668.2 Ų68.214%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-86.5126.3172.8-174.562.2000110.1R55 I58 Q59 I62 F83R55-L77 HydrophobicContact CG-CD2 4.27Å; I58-L77 HydrophobicContact CG2-CD1 3.94Å; Q59-L77 HydrophobicContact CB-CD2 4.05Å; I62-L77 HydrophobicContact CD1-CB 3.87Å; I62-L77 HydrophobicContact CD1-CD1 4.35Å; L77-F83 HydrophobicContact CD1-CB 3.91Å
78N94.3Very high92.5Very high55 Ų5566.5 Ų66.529%0.29433%0.332SS..  trans-86.2158.7174.4-59.1-50.1000111.4T80 G81 V82N78-T80 PolarHBondContact O-N 2.85Å; N78-T80 VanDerWaalsContact O-N 3.12Å; N78-G81 PolarHBondContact O-N 3.36Å; N78-V82 WeakPolarHBondContact CB-O 3.22Å; N78-V82 PolarHBondContact N-O 2.9Å; N78-V82 PolarHBondContact ND2-O 2.84Å
79P90.1Very high92.6Very high120 Ų12061.7 Ų61.778%0.77931%0.307SS*.THydrogen-bonded Turntrans-57.1-28176-25.635000114G81P79-G81 PolarHBondContact O-N 2.68Å
80T90.1Very high92.7Very high117 Ų11763.6 Ų63.672%0.71832%0.316SS*.THydrogen-bonded Turntrans-70.5-9.1177.458.20000113.8N78 V82N78-T80 PolarHBondContact O-N 2.85Å; N78-T80 VanDerWaalsContact O-N 3.12Å; T80-V82 VanDerWaalsContact C-N 3.31Å
81G87.3Confident92.9Very high25 Ų2551.5 Ų51.526%0.25827%0.27SS..SBendtrans89.2-10.1-174.600000114.1N78 P79N78-G81 PolarHBondContact O-N 3.36Å; P79-G81 PolarHBondContact O-N 2.68Å
82V93.5Very high92.9Very high25 Ų2549.9 Ų49.915%0.15226%0.262CS..  trans-78.3131.6171.9177.70000108.9N78 T80 S129 E130N78-V82 WeakPolarHBondContact CB-O 3.22Å; N78-V82 PolarHBondContact N-O 2.9Å; N78-V82 PolarHBondContact ND2-O 2.84Å; T80-V82 VanDerWaalsContact C-N 3.31Å; V82-S129 WeakPolarHBondContact CG1-OG 3.48Å; V82-E130 HydrophobicContact CG1-CG 4.24Å; V82-E130 HydrophobicContact CG2-CG 4.14Å; V82-E130 WeakPolarHBondContact CG2-OE1 3.05Å
83F95.6Very high92.4Very high5 Ų539.8 Ų39.82%0.02222%0.223CC..EExtended strand (participates in β ladder)trans-107.2152.517362.2-84.2000111.3I58 I62 M75 T76 L77 S128 S129 L177 F178 L181I58-F83 HydrophobicContact CD1-CE1 4.37Å; I58-F83 HydrophobicContact CG2-CD1 3.66Å; I58-F83 HydrophobicContact CG2-CE1 4.01Å; I58-F83 HydrophobicContact CG2-CG 4.3Å; I62-F83 HydrophobicContact CD1-CB 3.6Å; I62-F83 HydrophobicContact CD1-CD2 4.24Å; I62-F83 HydrophobicContact CD1-CG 3.91Å; M75-F83 HydrophobicContact SD-CD2 4.13Å; M75-F83 HydrophobicContact SD-CE2 4.11Å; T76-F83 CarbonylContact O-C 3.52Å; T76-F83 WeakPolarHBondContact O-CA 3.26Å; T76-F83 WeakPolarHBondContact O-CB 3.45Å; L77-F83 HydrophobicContact CD1-CB 3.91Å; F83-S128 CarbonylContact O-C 3.6Å; F83-S128 WeakPolarHBondContact O-CA 3.35Å; F83-S129 VanDerWaalsContact CZ-CB 3.48Å; F83-S129 PolarHBondContact N-OG 2.79Å; F83-S129 WeakPolarHBondContact O-CB 3.39Å; F83-S129 PolarHBondContact O-N 3.3Å; F83-S129 PolarHBondContact O-OG 2.87Å; F83-L177 HydrophobicContact CD2-CD2 3.64Å; F83-L177 HydrophobicContact CD2-CG 4.18Å; F83-L177 HydrophobicContact CE2-CD2 3.67Å; F83-L177 HydrophobicContact CE2-CG 3.76Å; F83-F178 HydrophobicContact CZ-CD2 4.3Å; F83-L181 HydrophobicContact CD2-CD2 4.47Å; F83-L181 HydrophobicContact CE1-CD2 4.15Å; F83-L181 HydrophobicContact CE2-CB 4.2Å; F83-L181 HydrophobicContact CE2-CD2 3.78Å; F83-L181 HydrophobicContact CZ-CB 4.43Å; F83-L181 HydrophobicContact CZ-CD2 3.6Å
84T97.1Very high91Very high27 Ų2745.6 Ų45.617%0.16624%0.242CC..EExtended strand (participates in β ladder)trans-121158.9176.163.40000110.4M75 T76 I127M75-T84 CarbonylContact C-O 3.53Å; M75-T84 WeakPolarHBondContact CA-O 3.35Å; T76-T84 PolarHBondContact N-O 3.25Å; T76-T84 PolarHBondContact O-N 3.05Å; T84-I127 VanDerWaalsContact CA-O 3.3Å; T84-I127 WeakPolarHBondContact CA-O 3.22Å
85G96.3Very high89.4Confident0 Ų047.3 Ų47.30%025%0.246CC..EExtended strand (participates in β ladder)trans178.7-165.1177.800000111.6H126 I127G85-H126 WeakPolarHBondContact O-CA 3.47Å; G85-H126 PolarHBondContact O-CD2 3.06Å; G85-H126 VanDerWaalsContact O-CD2 3.3Å; G85-I127 PolarHBondContact N-O 3.48Å; G85-I127 PolarHBondContact O-N 3Å
86F95.8Very high87.4Confident56 Ų5650 Ų5025%0.24626%0.263CS..EExtended strand (participates in β ladder)trans-114.2140.7-173.3-60-93000112.1L73 T124 L125 H126L73-F86 HydrophobicContact CB-CB 3.99Å; L73-F86 HydrophobicContact CB-CD2 3.8Å; L73-F86 HydrophobicContact CB-CG 4Å; L73-F86 HydrophobicContact CD1-CB 4.46Å; L73-F86 HydrophobicContact CD2-CB 4.33Å; L73-F86 HydrophobicContact CD2-CD1 3.86Å; L73-F86 HydrophobicContact CD2-CD2 3.93Å; L73-F86 HydrophobicContact CD2-CE1 4.07Å; L73-F86 HydrophobicContact CD2-CE2 4.17Å; L73-F86 HydrophobicContact CD2-CG 3.77Å; L73-F86 HydrophobicContact CD2-CZ 4.23Å; L73-F86 HydrophobicContact CG-CB 4.5Å; L73-F86 HydrophobicContact CG-CD2 4.46Å; L73-F86 HydrophobicContact CG-CG 4.37Å; F86-T124 HydrophobicContact CB-CG2 4.19Å; F86-T124 HydrophobicContact CD1-CG2 4.01Å; F86-L125 CarbonylContact C-O 3.5Å; F86-L125 WeakPolarHBondContact CA-O 3.36Å; F86-H126 HydrophobicContact CD1-CB 3.95Å; F86-H126 HydrophobicContact CE1-CB 3.72Å; F86-H126 AromaticContact CE1-CD2 3.8Å; F86-H126 AromaticContact CE2-CD2 3.86Å; F86-H126 HydrophobicContact CZ-CB 4.39Å; F86-H126 AromaticContact CZ-CD2 3.65Å
87V95Very high85.3Confident1 Ų146.4 Ų46.41%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-124.6138168.4-63.60000110V89 T124 L125 I127 L177 R180 F192V87-V89 HydrophobicContact CG2-CG2 4.45Å; V87-T124 WeakPolarHBondContact O-CA 3.37Å; V87-L125 HydrophobicContact CG2-CB 4.08Å; V87-L125 HydrophobicContact CG2-CD1 4.46Å; V87-L125 PolarHBondContact N-O 2.94Å; V87-L125 PolarHBondContact O-N 2.98Å; V87-I127 HydrophobicContact CB-CD1 4.34Å; V87-I127 HydrophobicContact CG1-CD1 3.82Å; V87-I127 HydrophobicContact CG1-CG1 4.31Å; V87-I127 HydrophobicContact CG2-CD1 3.54Å; V87-I127 HydrophobicContact CG2-CG1 4.03Å; V87-L177 HydrophobicContact CG1-CD1 3.96Å; V87-R180 HydrophobicContact CG1-CB 4.26Å; V87-F192 HydrophobicContact CB-CD2 4.34Å; V87-F192 HydrophobicContact CB-CE2 4.3Å; V87-F192 HydrophobicContact CG1-CE2 4.14Å
88K94.1Very high83.1Confident55 Ų5548 Ų4824%0.23925%0.252CS..EExtended strand (participates in β ladder)trans-100.9120.8174.5-68.1177.7-174.9165.60108.3D71 I122 N123 T124 L187D71-K88 IonicContact OD2-NZ 3.25Å; D71-K88 PolarHBondContact OD2-NZ 3.33Å; K88-I122 HydrophobicContact CB-CG2 3.88Å; K88-I122 HydrophobicContact CG-CG2 4.3Å; K88-N123 WeakPolarHBondContact CA-O 3.19Å; K88-T124 HydrophobicContact CG-CG2 4.27Å; K88-L187 HydrophobicContact CB-CD2 4.28Å; K88-L187 HydrophobicContact CD-CD1 3.98Å; K88-L187 HydrophobicContact CD-CD2 4.18Å
89V93.9Very high80.9Confident1 Ų146.7 Ų46.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-117.5122.7178.7-1760000109V87 N123 V136 L140 L155 F192 L194V87-V89 HydrophobicContact CG2-CG2 4.45Å; V89-N123 PolarHBondContact N-O 2.94Å; V89-N123 PolarHBondContact O-N 3.33Å; V89-V136 HydrophobicContact CG2-CG1 4.44Å; V89-L140 HydrophobicContact CB-CD1 3.92Å; V89-L140 HydrophobicContact CG1-CD1 3.65Å; V89-L140 HydrophobicContact CG2-CD1 4.1Å; V89-L155 HydrophobicContact CG1-CD1 3.59Å; V89-L155 HydrophobicContact CG2-CD1 4.4Å; V89-F192 WeakPolarHBondContact CA-O 3.35Å; V89-F192 HydrophobicContact CB-CB 4.44Å; V89-F192 HydrophobicContact CG1-CB 4.38Å; V89-F192 HydrophobicContact CG2-CB 3.99Å; V89-L194 HydrophobicContact CG1-CB 3.95Å
90M91.8Very high78.9Confident54 Ų5450.1 Ų50.127%0.26624%0.243SC..EExtended strand (participates in β ladder)trans-80.7126.2173.5-175.4-178-6600109.7F192 V193 L194M90-F192 PolarHBondContact N-O 3.38Å; M90-V193 HydrophobicContact CB-CG1 4.38Å; M90-V193 HydrophobicContact CB-CG2 4.37Å; M90-V193 CarbonylContact O-C 3.49Å; M90-V193 WeakPolarHBondContact O-CA 3.47Å; M90-L194 PolarHBondContact O-N 3.13Å
91M87.3Confident76.6Confident0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-88109.4176.7-56.9-66.8-67.400109.2L93 L117 G120 V121 L140 F144 L194M91-L93 HydrophobicContact CE-CD1 3.86Å; M91-L93 HydrophobicContact CE-CG 4.33Å; M91-L117 HydrophobicContact CB-CD2 3.9Å; M91-L117 HydrophobicContact CE-CD2 4.24Å; M91-L117 HydrophobicContact CG-CD2 4.19Å; M91-G120 PolarHBondContact O-N 2.94Å; M91-V121 HydrophobicContact CB-CB 4.48Å; M91-V121 WeakPolarHBondContact CB-O 2.97Å; M91-V121 WeakPolarHBondContact CG-O 3.15Å; M91-V121 PolarHBondContact N-O 2.9Å; M91-L140 HydrophobicContact CE-CB 4.43Å; M91-L140 HydrophobicContact SD-CB 4.27Å; M91-L140 HydrophobicContact SD-CD1 4.22Å; M91-L140 HydrophobicContact SD-CD2 4.04Å; M91-L140 HydrophobicContact SD-CG 4.41Å; M91-F144 HydrophobicContact CE-CD2 3.41Å; M91-F144 VanDerWaalsContact CE-CD2 3.41Å; M91-F144 HydrophobicContact CE-CE2 3.52Å; M91-F144 HydrophobicContact CE-CG 4.37Å; M91-F144 HydrophobicContact CG-CE2 3.7Å; M91-F144 HydrophobicContact CG-CZ 4.07Å; M91-F144 HydrophobicContact SD-CD2 4.22Å; M91-F144 HydrophobicContact SD-CE2 3.72Å; M91-L194 HydrophobicContact CE-CD2 3.5Å; M91-L194 HydrophobicContact SD-CB 4.14Å; M91-L194 HydrophobicContact SD-CD2 3.7Å
92D86.2Confident74.5Confident33 Ų3348.5 Ų48.518%0.17625%0.25CS..EExtended strand (participates in β ladder)trans-118.466.2178.4-175.920.9000109.4V193 L194 R195D92-V193 HydrophobicContact CB-CG1 3.77Å; D92-L194 CarbonylContact C-O 3.57Å; D92-L194 PolarHBondContact N-O 2.92Å; D92-R195 HydrophobicContact CB-CG 4.02Å; D92-R195 IonicContact OD2-CZ 3.51Å; D92-R195 IonicContact OD2-NE 2.88Å; D92-R195 PolarHBondContact OD2-NE 3.37Å; D92-R195 IonicContact OD2-NH2 3.33Å; D92-R195 PolarHBondContact OD2-NH2 3.37Å
93L78.4Confident72.1Confident10 Ų1055.5 Ų55.55%0.05228%0.281CS..  trans-97.1131.6-178.9-53.2-170.7000109.7M91 V97 V146 Y153 L194M91-L93 HydrophobicContact CE-CD1 3.86Å; M91-L93 HydrophobicContact CE-CG 4.33Å; L93-V97 HydrophobicContact CD1-CG2 4.46Å; L93-V146 HydrophobicContact CD1-CG2 4.48Å; L93-Y153 HydrophobicContact CD1-CE1 4.04Å; L93-Y153 HydrophobicContact CD2-CD1 3.63Å; L93-Y153 HydrophobicContact CD2-CE1 3.57Å; L93-Y153 HydrophobicContact CG-CE1 4.34Å; L93-L194 HydrophobicContact CD2-CD2 4.27Å; L93-L194 HydrophobicContact CD2-CG 4.35Å
94R62.7Low69.5Low159 Ų15967.2 Ų67.260%0.633%0.325SS*.  trans-94.2-24.6-174.3-64.7-171.6174.5172.5-2.2113.8R119R94-R119 PolarHBondContact O-NH2 2.9Å
95R60Low66.9Low140 Ų14068.9 Ų68.953%0.52834%0.342SS..SBendtrans-95.6153.7-172.4-74.2-174.2-167.4-92.20.5113.3V97 E196R95-V97 PolarHBondContact O-N 3.42Å; R95-E196 WeakPolarHBondContact CD-OE1 3.47Å; R95-E196 WeakPolarHBondContact CD-OE2 3.48Å; R95-E196 VanDerWaalsContact CG-OE2 3.31Å; R95-E196 WeakPolarHBondContact CG-OE2 3.29Å; R95-E196 IonicContact CZ-OE1 2.79Å; R95-E196 IonicContact NE-OE1 3.4Å; R95-E196 PolarHBondContact NE-OE1 2.88Å; R95-E196 IonicContact NE-OE2 2.7Å
96P53.5Low64.4Low60 Ų6074.5 Ų74.539%0.3939%0.389SS..PPolyproline II helixtrans-54.5122163.320.8-29.2000108.9T98 A114P96-T98 PolarHBondContact O-N 2.88Å; P96-A114 HydrophobicContact CB-CB 3.81Å
97V51.3Low62.2Low6 Ų675.4 Ų75.44%0.03641%0.414CS..EExtended strand (participates in β ladder)trans-76.7119.3176.1173.40000106.8L93 R95 V99 A114 F115 V146L93-V97 HydrophobicContact CD1-CG2 4.46Å; R95-V97 PolarHBondContact O-N 3.42Å; V97-V99 HydrophobicContact CG1-CG2 4.29Å; V97-V99 PolarHBondContact O-N 2.79Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V97-A114 WeakPolarHBondContact O-CA 3.34Å; V97-F115 PolarHBondContact N-O 2.8Å; V97-F115 VanDerWaalsContact N-O 3.14Å; V97-F115 PolarHBondContact O-N 3.12Å; V97-F115 VanDerWaalsContact O-N 3.08Å; V97-V146 HydrophobicContact CB-CG2 4.32Å; V97-V146 VanDerWaalsContact CG1-CA 3.48Å; V97-V146 HydrophobicContact CG1-CB 3.76Å; V97-V146 HydrophobicContact CG1-CG1 4.04Å; V97-V146 HydrophobicContact CG1-CG2 3.36Å; V97-V146 HydrophobicContact CG2-CG2 3.96Å
98T50Low59.8Low58 Ų5879 Ų7936%0.35645%0.451SS..EExtended strand (participates in β ladder)trans-70.1105.2168.941.40000108.2P96 A147P96-T98 PolarHBondContact O-N 2.88Å; T98-A147 VanDerWaalsContact O-CB 3.29Å; T98-A147 WeakPolarHBondContact O-CB 3.2Å; T98-A147 PolarHBondContact O-N 3.03Å; T98-A147 VanDerWaalsContact O-N 3.09Å
99V48.4Very low57.3Low28 Ų2880.1 Ų80.117%0.1747%0.471CS..EExtended strand (participates in β ladder)trans-83.8131173.1176.10000107.4V97 G101 G112 E113 F115 T145V97-V99 HydrophobicContact CG1-CG2 4.29Å; V97-V99 PolarHBondContact O-N 2.79Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V99-G101 VanDerWaalsContact C-N 3.32Å; V99-G101 PolarHBondContact O-N 2.67Å; V99-G112 WeakPolarHBondContact O-CA 3.38Å; V99-E113 WeakPolarHBondContact CB-O 3.47Å; V99-E113 PolarHBondContact N-O 2.98Å; V99-E113 PolarHBondContact O-N 3.24Å; V99-F115 HydrophobicContact CB-CD2 4.36Å; V99-F115 HydrophobicContact CG2-CB 4.03Å; V99-F115 HydrophobicContact CG2-CD2 4.16Å; V99-T145 WeakPolarHBondContact CG1-OG1 3.46Å
100R48.3Very low54.7Low192 Ų19285.3 Ų85.373%0.72550%0.502SS*.EExtended strand (participates in β ladder)trans-66.996.4167.4-73.5-175.2173.8168.4-0.6108.1G102 A147R100-G102 PolarHBondContact O-N 3.49Å; R100-A147 HydrophobicContact CG-CB 4.19Å
101G42.6Very low52.4Low21 Ų2190.2 Ų90.222%0.21653%0.526CS..  trans-58.5127.1173.900000110.3V99 Q103V99-G101 VanDerWaalsContact C-N 3.32Å; V99-G101 PolarHBondContact O-N 2.67Å; G101-Q103 PolarHBondContact O-N 2.91Å
102G42.6Very low50.4Low88 Ų8892.2 Ų92.291%0.90755%0.547SS*.SBendtrans-72.516.3-177.900000115.5R100R100-G102 PolarHBondContact O-N 3.49Å
103Q42.9Very low48.5Very low172 Ų17295.9 Ų95.980%0.80456%0.563SS**  trans-107.1109.9177-85.3179.4-29.700111G101 A105G101-Q103 PolarHBondContact O-N 2.91Å; Q103-A105 PolarHBondContact O-N 3.17Å
104R40.9Very low47.1Very low250 Ų25098.1 Ų98.194%0.94358%0.583SS**  trans-6799164.5-71.6178.4175.4157.9-1.6108.1
105A41.9Very low46.7Very low63 Ų6396.3 Ų96.352%0.52158%0.58SS.*  trans-67.8140.9162.200000109.3Q103 G107 G108Q103-A105 PolarHBondContact O-N 3.17Å; A105-G107 PolarHBondContact O-N 3.16Å; A105-G108 PolarHBondContact O-N 2.87Å
106A45.6Very low46.4Very low118 Ų11898.8 Ų98.898%0.97559%0.59SS**THydrogen-bonded Turntrans-59.699.1174.200000109.3
107G48.1Very low46.8Very low75 Ų7598 Ų9877%0.77358%0.583SS**THydrogen-bonded Turntrans148.5-4.9-174.500000115.9A105 A109A105-G107 PolarHBondContact O-N 3.16Å; G107-A109 PolarHBondContact O-N 2.78Å; G107-A109 VanDerWaalsContact O-N 3.15Å
108G44.9Very low47.3Very low77 Ų77102 Ų10279%0.79461%0.609SS**SBendtrans77.1-4168.600000116.2A105A105-G108 PolarHBondContact O-N 2.87Å
109A41Very low48.2Very low78 Ų78106.7 Ų106.765%0.64562%0.62SS**  trans-88.6124.8171.400000110.7G107 M111G107-A109 PolarHBondContact O-N 2.78Å; G107-A109 VanDerWaalsContact O-N 3.15Å; A109-M111 PolarHBondContact O-N 2.74Å
110T40.6Very low49.4Very low109 Ų109107 Ų10767%0.66963%0.629SS**  trans-78.2106.31742.10000108.5G112T110-G112 PolarHBondContact O-N 2.92Å
111M42.3Very low51.2Low157 Ų157100.1 Ų100.177%0.77361%0.608SS**  trans-77.6106.2172.8-167.5166173.400108A109A109-M111 PolarHBondContact O-N 2.74Å
112G46.8Very low53.4Low42 Ų42103.7 Ų103.743%0.43362%0.621SS.*EExtended strand (participates in β ladder)trans-79.5116.4175.700000110.2V99 T110V99-G112 WeakPolarHBondContact O-CA 3.38Å; T110-G112 PolarHBondContact O-N 2.92Å
113E45.3Very low55.6Low111 Ų111100 Ų10052%0.51958%0.581SS.*EExtended strand (participates in β ladder)trans-79.4128.7171.3-75.5179.915700109.2V99 F115V99-E113 WeakPolarHBondContact CB-O 3.47Å; V99-E113 PolarHBondContact N-O 2.98Å; V99-E113 PolarHBondContact O-N 3.24Å; E113-F115 HydrophobicContact CB-CD2 4.01Å; E113-F115 HydrophobicContact CB-CE2 3.64Å; E113-F115 PolarHBondContact O-N 2.9Å; E113-F115 WeakPolarHBondContact OE2-CE2 3.17Å
114A49.5Very low58Low57 Ų5794.5 Ų94.547%0.47156%0.559SS.*EExtended strand (participates in β ladder)trans-79.5107.4177.400000109.6P96 V97P96-A114 HydrophobicContact CB-CB 3.81Å; V97-A114 WeakPolarHBondContact O-CA 3.34Å
115F54.5Low60.6Low121 Ų12183.5 Ų83.553%0.53152%0.519SS..EExtended strand (participates in β ladder)trans-105.7142.2172.2-78.7-90.2000110.8V97 V99 E113V97-F115 PolarHBondContact N-O 2.8Å; V97-F115 VanDerWaalsContact N-O 3.14Å; V97-F115 PolarHBondContact O-N 3.12Å; V97-F115 VanDerWaalsContact O-N 3.08Å; V99-F115 HydrophobicContact CB-CD2 4.36Å; V99-F115 HydrophobicContact CG2-CB 4.03Å; V99-F115 HydrophobicContact CG2-CD2 4.16Å; E113-F115 HydrophobicContact CB-CD2 4.01Å; E113-F115 HydrophobicContact CB-CE2 3.64Å; E113-F115 PolarHBondContact O-N 2.9Å; E113-F115 WeakPolarHBondContact OE2-CE2 3.17Å
116Y53.9Low63.1Low191 Ų19185.8 Ų85.875%0.74952%0.519SS*.PPolyproline II helixtrans-85119.7175.1-64.3-87.6000109.3
117L62Low65.5Low45 Ų4581 Ų8124%0.23648%0.476CS..PPolyproline II helixtrans-78.3127.2160.5-167.167.9000107.9M91 R119 V121 F144M91-L117 HydrophobicContact CB-CD2 3.9Å; M91-L117 HydrophobicContact CE-CD2 4.24Å; M91-L117 HydrophobicContact CG-CD2 4.19Å; L117-R119 PolarHBondContact O-N 3.28Å; L117-V121 HydrophobicContact CD1-CG2 4.48Å; L117-V121 HydrophobicContact CG-CG2 4.4Å; L117-F144 HydrophobicContact CD1-CD1 3.58Å; L117-F144 HydrophobicContact CD1-CE1 3.58Å; L117-F144 HydrophobicContact CD2-CD1 3.78Å; L117-F144 HydrophobicContact CD2-CD2 4.28Å; L117-F144 HydrophobicContact CD2-CE1 3.82Å; L117-F144 HydrophobicContact CD2-CE2 4.3Å; L117-F144 HydrophobicContact CD2-CG 4.02Å; L117-F144 HydrophobicContact CD2-CZ 4.08Å; L117-F144 HydrophobicContact CG-CD1 4.35Å; L117-F144 HydrophobicContact CG-CE1 4.38Å
118P62.1Low67.8Low88 Ų8878.5 Ų78.557%0.57145%0.447SS*.PPolyproline II helixtrans-55135.3173.6-23.532.9000110.3V121P118-V121 HydrophobicContact CB-CG2 4.01Å; P118-V121 HydrophobicContact CG-CG2 4.41Å; P118-V121 VanDerWaalsContact O-CG2 3.23Å; P118-V121 WeakPolarHBondContact O-CG2 3.46Å
119R68.2Low70.2Confident157 Ų15775.5 Ų75.559%0.59241%0.414SS*.THydrogen-bonded Turntrans-65.9139.2179-64.3-176.5-174.6-141.81.5109.9R94 L117R94-R119 PolarHBondContact O-NH2 2.9Å; L117-R119 PolarHBondContact O-N 3.28Å
120G74.1Confident72.7Confident35 Ų3577.3 Ų77.336%0.36141%0.409SS..THydrogen-bonded Turntrans84.511.2176.500000114.8M91 I122M91-G120 PolarHBondContact O-N 2.94Å; G120-I122 PolarHBondContact O-N 2.78Å
121V84.9Confident75.3Confident48 Ų4874.3 Ų74.329%0.29139%0.389SS..EExtended strand (participates in β ladder)trans-60.2123.3171.8170.20000109.4M91 L117 P118 F144M91-V121 HydrophobicContact CB-CB 4.48Å; M91-V121 WeakPolarHBondContact CB-O 2.97Å; M91-V121 WeakPolarHBondContact CG-O 3.15Å; M91-V121 PolarHBondContact N-O 2.9Å; L117-V121 HydrophobicContact CD1-CG2 4.48Å; L117-V121 HydrophobicContact CG-CG2 4.4Å; P118-V121 HydrophobicContact CB-CG2 4.01Å; P118-V121 HydrophobicContact CG-CG2 4.41Å; P118-V121 VanDerWaalsContact O-CG2 3.23Å; P118-V121 WeakPolarHBondContact O-CG2 3.46Å; V121-F144 HydrophobicContact CG1-CE1 4.5Å; V121-F144 HydrophobicContact CG1-CZ 4.21Å
122I88.9Confident77.9Confident95 Ų9568.4 Ų68.449%0.48736%0.362SS..EExtended strand (participates in β ladder)trans-90.9121.1175.4-60.1175.3000108.5K88 G120K88-I122 HydrophobicContact CB-CG2 3.88Å; K88-I122 HydrophobicContact CG-CG2 4.3Å; G120-I122 PolarHBondContact O-N 2.78Å
123N90.2Very high80.1Confident10 Ų1066.4 Ų66.45%0.05334%0.341CS..EExtended strand (participates in β ladder)trans-103.4126.3173.7-157.4-25.4000109.8K88 V89 L140 K143 F144K88-N123 WeakPolarHBondContact CA-O 3.19Å; V89-N123 PolarHBondContact N-O 2.94Å; V89-N123 PolarHBondContact O-N 3.33Å; N123-L140 HydrophobicContact CB-CD2 3.77Å; N123-K143 WeakPolarHBondContact ND2-CD 3.41Å; N123-K143 WeakPolarHBondContact ND2-CE 3.34Å; N123-K143 PolarHBondContact OD1-NZ 2.84Å; N123-F144 HydrophobicContact CB-CE2 4.24Å; N123-F144 HydrophobicContact CB-CZ 4.24Å; N123-F144 WeakPolarHBondContact ND2-CE2 3.47Å; N123-F144 WeakPolarHBondContact ND2-CZ 3.47Å
124T92.9Very high82.3Confident58 Ų5866.3 Ų66.336%0.35634%0.339SS..EExtended strand (participates in β ladder)trans-97.6122.4175.1-54.20000108.5L73 F86 V87 K88L73-T124 HydrophobicContact CD1-CG2 4.08Å; L73-T124 HydrophobicContact CD2-CG2 4.5Å; F86-T124 HydrophobicContact CB-CG2 4.19Å; F86-T124 HydrophobicContact CD1-CG2 4.01Å; V87-T124 WeakPolarHBondContact O-CA 3.37Å; K88-T124 HydrophobicContact CG-CG2 4.27Å
125L93.9Very high84.5Confident19 Ų1967.6 Ų67.610%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-113.5138.1179.5-59.6173.1000109.7F86 V87 I127 V136 L140F86-L125 CarbonylContact C-O 3.5Å; F86-L125 WeakPolarHBondContact CA-O 3.36Å; V87-L125 HydrophobicContact CG2-CB 4.08Å; V87-L125 HydrophobicContact CG2-CD1 4.46Å; V87-L125 PolarHBondContact N-O 2.94Å; V87-L125 PolarHBondContact O-N 2.98Å; L125-I127 HydrophobicContact CB-CG2 3.98Å; L125-V136 HydrophobicContact CD1-CG1 3.8Å; L125-L140 HydrophobicContact CD1-CD1 4.28Å; L125-L140 HydrophobicContact CD1-CD2 3.74Å; L125-L140 HydrophobicContact CD1-CG 3.84Å; L125-L140 HydrophobicContact CD2-CD2 4.01Å; L125-L140 HydrophobicContact CG-CD2 4.07Å
126H94.9Very high86.3Confident111 Ų11162 Ų6251%0.51431%0.311SS..EExtended strand (participates in β ladder)trans-93.1119165-176-113.1000108.7G85 F86G85-H126 WeakPolarHBondContact O-CA 3.47Å; G85-H126 PolarHBondContact O-CD2 3.06Å; G85-H126 VanDerWaalsContact O-CD2 3.3Å; F86-H126 HydrophobicContact CD1-CB 3.95Å; F86-H126 HydrophobicContact CE1-CB 3.72Å; F86-H126 AromaticContact CE1-CD2 3.8Å; F86-H126 AromaticContact CE2-CD2 3.86Å; F86-H126 HydrophobicContact CZ-CB 4.39Å; F86-H126 AromaticContact CZ-CD2 3.65Å
127I96.3Very high88.1Confident16 Ų1653.1 Ų53.18%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-136164.3-174.161.9169000110.9T84 G85 V87 L125 N131 V136 P176 L177T84-I127 VanDerWaalsContact CA-O 3.3Å; T84-I127 WeakPolarHBondContact CA-O 3.22Å; G85-I127 PolarHBondContact N-O 3.48Å; G85-I127 PolarHBondContact O-N 3Å; V87-I127 HydrophobicContact CB-CD1 4.34Å; V87-I127 HydrophobicContact CG1-CD1 3.82Å; V87-I127 HydrophobicContact CG1-CG1 4.31Å; V87-I127 HydrophobicContact CG2-CD1 3.54Å; V87-I127 HydrophobicContact CG2-CG1 4.03Å; L125-I127 HydrophobicContact CB-CG2 3.98Å; I127-N131 HydrophobicContact CB-CB 4.18Å; I127-N131 WeakPolarHBondContact CB-OD1 3.49Å; I127-V136 HydrophobicContact CD1-CG2 4.14Å; I127-V136 HydrophobicContact CG2-CG2 4.49Å; I127-P176 HydrophobicContact CD1-CB 4.44Å; I127-L177 HydrophobicContact CD1-CB 3.83Å; I127-L177 HydrophobicContact CG1-CB 4.03Å; I127-L177 HydrophobicContact CG1-CD1 4.08Å; I127-L177 HydrophobicContact CG1-CD2 4.46Å; I127-L177 HydrophobicContact CG1-CG 4.41Å; I127-L177 WeakPolarHBondContact O-CD2 3.22Å
128S96.4Very high89.4Confident23 Ų2354.3 Ų54.316%0.16128%0.282CS..EExtended strand (participates in β ladder)trans-95.5166.7171.379.50000111.8F83 E130 N131 L177F83-S128 CarbonylContact O-C 3.6Å; F83-S128 WeakPolarHBondContact O-CA 3.35Å; S128-E130 PolarHBondContact O-N 3.39Å; S128-E130 PolarHBondContact OG-N 2.91Å; S128-N131 PolarHBondContact N-OD1 3.25Å; S128-N131 PolarHBondContact O-N 2.97Å; S128-N131 PolarHBondContact OG-OD1 2.77Å; S128-L177 VanDerWaalsContact C-CD2 3.5Å
129S94.4Very high90.7Very high14 Ų1452.5 Ų52.510%0.09827%0.274CS..THydrogen-bonded Turntrans-66.3-12174.1600000113.5V82 F83 K175V82-S129 WeakPolarHBondContact CG1-OG 3.48Å; F83-S129 VanDerWaalsContact CZ-CB 3.48Å; F83-S129 PolarHBondContact N-OG 2.79Å; F83-S129 WeakPolarHBondContact O-CB 3.39Å; F83-S129 PolarHBondContact O-N 3.3Å; F83-S129 PolarHBondContact O-OG 2.87Å; S129-K175 WeakPolarHBondContact O-CD 3.04Å; S129-K175 WeakPolarHBondContact O-CE 3.15Å
130E94.4Very high91.7Very high117 Ų11745 Ų4555%0.54725%0.246SC..THydrogen-bonded Turntrans-90.5-16.5177-62.1179.914600112.3V82 S128 T132V82-E130 HydrophobicContact CG1-CG 4.24Å; V82-E130 HydrophobicContact CG2-CG 4.14Å; V82-E130 WeakPolarHBondContact CG2-OE1 3.05Å; S128-E130 PolarHBondContact O-N 3.39Å; S128-E130 PolarHBondContact OG-N 2.91Å; E130-T132 PolarHBondContact O-N 3.21Å
131N95.9Very high92.2Very high45 Ų4543.5 Ų43.524%0.24123%0.229CC..  trans-67.6126.2-178.5-70.7125.8000111.6I127 S128 Q135 P176I127-N131 HydrophobicContact CB-CB 4.18Å; I127-N131 WeakPolarHBondContact CB-OD1 3.49Å; S128-N131 PolarHBondContact N-OD1 3.25Å; S128-N131 PolarHBondContact O-N 2.97Å; S128-N131 PolarHBondContact OG-OD1 2.77Å; N131-Q135 VanDerWaalsContact CA-OE1 3.27Å; N131-Q135 PolarHBondContact ND2-OE1 3.08Å; N131-P176 WeakPolarHBondContact O-CD 3.49Å
132T95.8Very high92.2Very high34 Ų3447 Ų4721%0.20925%0.247CC..  trans-88162.6178.971.90000111.9E130 K134 Q135 V136 D172 E174E130-T132 PolarHBondContact O-N 3.21Å; T132-K134 PolarHBondContact O-N 3.18Å; T132-Q135 PolarHBondContact O-N 3.46Å; T132-Q135 VanDerWaalsContact O-N 3.1Å; T132-Q135 PolarHBondContact OG1-N 3.23Å; T132-V136 WeakPolarHBondContact O-CG2 3.37Å; T132-V136 PolarHBondContact O-N 3.33Å; T132-D172 VanDerWaalsContact CB-O 3.26Å; T132-D172 WeakPolarHBondContact CB-O 3.3Å; T132-D172 PolarHBondContact OG1-O 3.08Å; T132-E174 CarbonylContact C-O 3.46Å; T132-E174 VanDerWaalsContact CA-O 3.25Å; T132-E174 WeakPolarHBondContact CA-O 3.46Å
133V94.5Very high91.8Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-51.2-46.3172.5167.90000111Q135 V136 I137 L155 L170 A171 D172 E174 P176V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-Q135 PolarHBondContact O-N 3.21Å; V133-V136 PolarHBondContact O-N 2.96Å; V133-V136 VanDerWaalsContact O-N 3.14Å; V133-I137 HydrophobicContact CG1-CD1 3.67Å; V133-I137 HydrophobicContact CG1-CG1 4.26Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.22Å; V133-I137 PolarHBondContact O-N 2.88Å; V133-L155 HydrophobicContact CG1-CB 3.66Å; V133-L155 HydrophobicContact CG1-CD2 4.17Å; V133-L155 HydrophobicContact CG2-CD2 4.3Å; V133-L170 HydrophobicContact CG1-CB 4.3Å; V133-L170 HydrophobicContact CG2-CB 3.76Å; V133-L170 HydrophobicContact CG2-CD1 4.03Å; V133-A171 WeakPolarHBondContact CB-O 3.36Å; V133-A171 WeakPolarHBondContact CG2-O 3.45Å; V133-D172 PolarHBondContact N-O 3.01Å; V133-E174 HydrophobicContact CG2-CB 3.99Å; V133-E174 WeakPolarHBondContact CG2-O 3.25Å; V133-E174 PolarHBondContact N-O 3.24Å; V133-P176 HydrophobicContact CB-CG 4.49Å; V133-P176 HydrophobicContact CG2-CG 3.7Å
134K91.5Very high90.8Very high108 Ų10849.9 Ų49.947%0.4726%0.255SS..Hα-helixtrans-57.7-43.6178.4-174.8175179.7172.40112.5T132 I137 M138 D172T132-K134 PolarHBondContact O-N 3.18Å; K134-I137 PolarHBondContact O-N 2.94Å; K134-M138 HydrophobicContact CG-CE 4.17Å; K134-M138 WeakPolarHBondContact O-CG 3.38Å; K134-M138 PolarHBondContact O-N 2.82Å; K134-D172 HydrophobicContact CB-CB 4.07Å; K134-D172 PolarHBondContact N-O 3.34Å; K134-D172 VanDerWaalsContact N-O 3.14Å
135Q93.8Very high89.5Confident85 Ų8550.5 Ų50.540%0.39726%0.259SS..Hα-helixtrans-66.3-39.6177.6-69175.9-1500112N131 T132 V133 M138 A139N131-Q135 VanDerWaalsContact CA-OE1 3.27Å; N131-Q135 PolarHBondContact ND2-OE1 3.08Å; T132-Q135 PolarHBondContact O-N 3.46Å; T132-Q135 VanDerWaalsContact O-N 3.1Å; T132-Q135 PolarHBondContact OG1-N 3.23Å; V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-Q135 PolarHBondContact O-N 3.21Å; Q135-M138 HydrophobicContact CB-CE 4.5Å; Q135-M138 HydrophobicContact CG-CE 4.17Å; Q135-M138 PolarHBondContact O-N 2.85Å; Q135-A139 WeakPolarHBondContact O-CB 3.18Å; Q135-A139 PolarHBondContact O-N 2.83Å
136V93.8Very high88.2Confident3 Ų350 Ų502%0.01826%0.257CS..Hα-helixtrans-63.5-43.7175.81710000111.2V89 L125 I127 T132 V133 A139 L140 L155 P176V89-V136 HydrophobicContact CG2-CG1 4.44Å; L125-V136 HydrophobicContact CD1-CG1 3.8Å; I127-V136 HydrophobicContact CD1-CG2 4.14Å; I127-V136 HydrophobicContact CG2-CG2 4.49Å; T132-V136 WeakPolarHBondContact O-CG2 3.37Å; T132-V136 PolarHBondContact O-N 3.33Å; V133-V136 PolarHBondContact O-N 2.96Å; V133-V136 VanDerWaalsContact O-N 3.14Å; V136-A139 PolarHBondContact O-N 2.78Å; V136-L140 HydrophobicContact CG1-CD1 3.95Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.39Å; V136-L140 PolarHBondContact O-N 2.82Å; V136-L155 HydrophobicContact CG1-CD2 4.3Å; V136-P176 HydrophobicContact CG2-CG 4.1Å
137I91.3Very high86.5Confident5 Ų547 Ų473%0.02625%0.251CS..Hα-helixtrans-58.4-52.3174.8-66.6167.3000109.9V133 K134 A139 L140 L141 P150 L155 L194V133-I137 HydrophobicContact CG1-CD1 3.67Å; V133-I137 HydrophobicContact CG1-CG1 4.26Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.22Å; V133-I137 PolarHBondContact O-N 2.88Å; K134-I137 PolarHBondContact O-N 2.94Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 2.81Å; I137-L140 PolarHBondContact O-N 2.86Å; I137-L141 HydrophobicContact CG2-CD1 3.69Å; I137-L141 HydrophobicContact CG2-CG 4.27Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.01Å; I137-P150 HydrophobicContact CG2-CB 4.4Å; I137-L155 HydrophobicContact CD1-CB 4.21Å; I137-L155 HydrophobicContact CG1-CB 4.2Å; I137-L194 HydrophobicContact CB-CD1 4.39Å; I137-L194 HydrophobicContact CG1-CD1 3.76Å; I137-L194 HydrophobicContact CG2-CD1 4.21Å
138M89Confident85.1Confident70 Ų7047.8 Ų47.835%0.34526%0.255SS..Hα-helixtrans-58.6-43.6178.9-70.6-174.6-61.700112.3K134 Q135 L140 L141 N142 P150K134-M138 HydrophobicContact CG-CE 4.17Å; K134-M138 WeakPolarHBondContact O-CG 3.38Å; K134-M138 PolarHBondContact O-N 2.82Å; Q135-M138 HydrophobicContact CB-CE 4.5Å; Q135-M138 HydrophobicContact CG-CE 4.17Å; Q135-M138 PolarHBondContact O-N 2.85Å; M138-L140 PolarHBondContact O-N 3.03Å; M138-L141 PolarHBondContact O-N 2.85Å; M138-N142 VanDerWaalsContact O-CB 3.31Å; M138-N142 WeakPolarHBondContact O-CB 3.47Å; M138-N142 PolarHBondContact O-N 3.46Å; M138-N142 PolarHBondContact O-ND2 3.31Å; M138-P150 HydrophobicContact CG-CB 4.17Å; M138-P150 HydrophobicContact CG-CG 4.46Å
139A90.2Very high84Confident49 Ų4949.9 Ų49.941%0.40527%0.265SS..Hα-helixtrans-63.2-41.3178.900000112.3Q135 V136 I137 K143Q135-A139 WeakPolarHBondContact O-CB 3.18Å; Q135-A139 PolarHBondContact O-N 2.83Å; V136-A139 PolarHBondContact O-N 2.78Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 2.81Å; A139-K143 VanDerWaalsContact O-CB 3.29Å; A139-K143 WeakPolarHBondContact O-CB 3.45Å; A139-K143 PolarHBondContact O-N 2.87Å
140L89Confident83.3Confident0 Ų051.6 Ų51.60%028%0.276CS..Hα-helixtrans-64.4-50175.9-72.9167.5000111.3V89 M91 N123 L125 V136 I137 M138 N142 K143 F144 L194V89-L140 HydrophobicContact CB-CD1 3.92Å; V89-L140 HydrophobicContact CG1-CD1 3.65Å; V89-L140 HydrophobicContact CG2-CD1 4.1Å; M91-L140 HydrophobicContact CE-CB 4.43Å; M91-L140 HydrophobicContact SD-CB 4.27Å; M91-L140 HydrophobicContact SD-CD1 4.22Å; M91-L140 HydrophobicContact SD-CD2 4.04Å; M91-L140 HydrophobicContact SD-CG 4.41Å; N123-L140 HydrophobicContact CB-CD2 3.77Å; L125-L140 HydrophobicContact CD1-CD1 4.28Å; L125-L140 HydrophobicContact CD1-CD2 3.74Å; L125-L140 HydrophobicContact CD1-CG 3.84Å; L125-L140 HydrophobicContact CD2-CD2 4.01Å; L125-L140 HydrophobicContact CG-CD2 4.07Å; V136-L140 HydrophobicContact CG1-CD1 3.95Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.39Å; V136-L140 PolarHBondContact O-N 2.82Å; I137-L140 PolarHBondContact O-N 2.86Å; M138-L140 PolarHBondContact O-N 3.03Å; L140-N142 PolarHBondContact O-N 3.1Å; L140-K143 PolarHBondContact O-N 3.3Å; L140-F144 HydrophobicContact CD2-CE2 4.48Å; L140-F144 WeakPolarHBondContact O-CD2 3.17Å; L140-F144 PolarHBondContact O-N 2.81Å; L140-F144 VanDerWaalsContact O-N 3.1Å; L140-L194 HydrophobicContact CB-CD2 4.25Å; L140-L194 HydrophobicContact CD1-CD2 4.26Å
141L84.6Confident82.5Confident4 Ų447.7 Ų47.72%0.02126%0.263CS..Hα-helixtrans-62.1-43.9-178.5-65.3175.2000111.8I137 M138 K143 F144 T145 V146 P150 Y153 L194I137-L141 HydrophobicContact CG2-CD1 3.69Å; I137-L141 HydrophobicContact CG2-CG 4.27Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.01Å; M138-L141 PolarHBondContact O-N 2.85Å; L141-K143 PolarHBondContact O-N 3.25Å; L141-F144 CarbonylContact O-C 3.44Å; L141-F144 PolarHBondContact O-N 2.96Å; L141-T145 PolarHBondContact O-N 3.39Å; L141-V146 HydrophobicContact CB-CB 4.13Å; L141-V146 HydrophobicContact CD2-CB 3.93Å; L141-V146 HydrophobicContact CD2-CG1 3.9Å; L141-V146 HydrophobicContact CD2-CG2 3.94Å; L141-V146 PolarHBondContact O-N 3.42Å; L141-P150 HydrophobicContact CD1-CB 3.87Å; L141-Y153 HydrophobicContact CD1-CD2 3.44Å; L141-Y153 VanDerWaalsContact CD1-CD2 3.44Å; L141-Y153 HydrophobicContact CD1-CE2 3.95Å; L141-Y153 HydrophobicContact CD1-CG 4.04Å; L141-Y153 HydrophobicContact CD2-CD1 4.14Å; L141-Y153 HydrophobicContact CD2-CD2 3.73Å; L141-Y153 HydrophobicContact CD2-CE1 4.17Å; L141-Y153 HydrophobicContact CD2-CE2 3.74Å; L141-Y153 HydrophobicContact CD2-CG 3.92Å; L141-Y153 HydrophobicContact CG-CD2 4.23Å; L141-L194 HydrophobicContact CD2-CD2 4.19Å
142N83.4Confident81.8Confident122 Ų12249.8 Ų49.865%0.65227%0.27SS*.Hα-helixtrans-61.3-43175.7-74.4-19.5000112M138 L140 F144 T145M138-N142 VanDerWaalsContact O-CB 3.31Å; M138-N142 WeakPolarHBondContact O-CB 3.47Å; M138-N142 PolarHBondContact O-N 3.46Å; M138-N142 PolarHBondContact O-ND2 3.31Å; L140-N142 PolarHBondContact O-N 3.1Å; N142-F144 VanDerWaalsContact C-N 3.25Å; N142-F144 PolarHBondContact O-N 3.25Å; N142-T145 PolarHBondContact O-N 3.36Å
143K81.8Confident81.3Confident125 Ų12548.7 Ų48.754%0.54326%0.262SS..Hα-helixtrans-62.5-32.5178.5178.7169.8171.7-177.50112.5N123 A139 L140 L141 T145N123-K143 WeakPolarHBondContact ND2-CD 3.41Å; N123-K143 WeakPolarHBondContact ND2-CE 3.34Å; N123-K143 PolarHBondContact OD1-NZ 2.84Å; A139-K143 VanDerWaalsContact O-CB 3.29Å; A139-K143 WeakPolarHBondContact O-CB 3.45Å; A139-K143 PolarHBondContact O-N 2.87Å; L140-K143 PolarHBondContact O-N 3.3Å; L141-K143 PolarHBondContact O-N 3.25Å; K143-T145 VanDerWaalsContact C-N 3.35Å
144F69.4Low81.1Confident39 Ų3948.8 Ų48.817%0.17126%0.263CS..THydrogen-bonded Turntrans-95.312.6175-66.7-71000113.3M91 L117 V121 N123 L140 L141 N142 V146M91-F144 HydrophobicContact CE-CD2 3.41Å; M91-F144 VanDerWaalsContact CE-CD2 3.41Å; M91-F144 HydrophobicContact CE-CE2 3.52Å; M91-F144 HydrophobicContact CE-CG 4.37Å; M91-F144 HydrophobicContact CG-CE2 3.7Å; M91-F144 HydrophobicContact CG-CZ 4.07Å; M91-F144 HydrophobicContact SD-CD2 4.22Å; M91-F144 HydrophobicContact SD-CE2 3.72Å; L117-F144 HydrophobicContact CD1-CD1 3.58Å; L117-F144 HydrophobicContact CD1-CE1 3.58Å; L117-F144 HydrophobicContact CD2-CD1 3.78Å; L117-F144 HydrophobicContact CD2-CD2 4.28Å; L117-F144 HydrophobicContact CD2-CE1 3.82Å; L117-F144 HydrophobicContact CD2-CE2 4.3Å; L117-F144 HydrophobicContact CD2-CG 4.02Å; L117-F144 HydrophobicContact CD2-CZ 4.08Å; L117-F144 HydrophobicContact CG-CD1 4.35Å; L117-F144 HydrophobicContact CG-CE1 4.38Å; V121-F144 HydrophobicContact CG1-CE1 4.5Å; V121-F144 HydrophobicContact CG1-CZ 4.21Å; N123-F144 HydrophobicContact CB-CE2 4.24Å; N123-F144 HydrophobicContact CB-CZ 4.24Å; N123-F144 WeakPolarHBondContact ND2-CE2 3.47Å; N123-F144 WeakPolarHBondContact ND2-CZ 3.47Å; L140-F144 HydrophobicContact CD2-CE2 4.48Å; L140-F144 WeakPolarHBondContact O-CD2 3.17Å; L140-F144 PolarHBondContact O-N 2.81Å; L140-F144 VanDerWaalsContact O-N 3.1Å; L141-F144 CarbonylContact O-C 3.44Å; L141-F144 PolarHBondContact O-N 2.96Å; N142-F144 VanDerWaalsContact C-N 3.25Å; N142-F144 PolarHBondContact O-N 3.25Å; F144-V146 HydrophobicContact CB-CG2 3.93Å; F144-V146 PolarHBondContact O-N 3.36Å; F144-V146 VanDerWaalsContact O-N 3.08Å
145T66Low81.2Confident72 Ų7243.7 Ų43.744%0.44224%0.241SC..THydrogen-bonded Turntrans5329.4178.955.10000114.1V99 L141 N142 K143 A147V99-T145 WeakPolarHBondContact CG1-OG1 3.46Å; L141-T145 PolarHBondContact O-N 3.39Å; N142-T145 PolarHBondContact O-N 3.36Å; K143-T145 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 2.77Å
146V65.4Low81.1Confident9 Ų941.7 Ų41.76%0.05523%0.23CC..BIsolated β-bridgetrans-71.6111.5179179.90000108.7L93 V97 L141 F144 D148 Y153L93-V146 HydrophobicContact CD1-CG2 4.48Å; V97-V146 HydrophobicContact CB-CG2 4.32Å; V97-V146 VanDerWaalsContact CG1-CA 3.48Å; V97-V146 HydrophobicContact CG1-CB 3.76Å; V97-V146 HydrophobicContact CG1-CG1 4.04Å; V97-V146 HydrophobicContact CG1-CG2 3.36Å; V97-V146 HydrophobicContact CG2-CG2 3.96Å; L141-V146 HydrophobicContact CB-CB 4.13Å; L141-V146 HydrophobicContact CD2-CB 3.93Å; L141-V146 HydrophobicContact CD2-CG1 3.9Å; L141-V146 HydrophobicContact CD2-CG2 3.94Å; L141-V146 PolarHBondContact O-N 3.42Å; F144-V146 HydrophobicContact CB-CG2 3.93Å; F144-V146 PolarHBondContact O-N 3.36Å; F144-V146 VanDerWaalsContact O-N 3.08Å; V146-D148 HydrophobicContact CG1-CB 3.83Å; V146-D148 PolarHBondContact O-N 2.93Å; V146-Y153 HydrophobicContact CG1-CE2 4.06Å; V146-Y153 WeakPolarHBondContact CG1-OH 3.41Å
147A59.2Low81.1Confident47 Ų4743 Ų4339%0.38824%0.235SC..  trans-79.9-1.4179.900000114T98 R100 T145T98-A147 VanDerWaalsContact O-CB 3.29Å; T98-A147 WeakPolarHBondContact O-CB 3.2Å; T98-A147 PolarHBondContact O-N 3.03Å; T98-A147 VanDerWaalsContact O-N 3.09Å; R100-A147 HydrophobicContact CG-CB 4.19Å; T145-A147 PolarHBondContact O-N 2.77Å
148D67.3Low81Confident32 Ų3246.9 Ų46.917%0.17125%0.25CS..SBendtrans-69.7155178.3-85.7-52.1000113.2V146 K152 Y153V146-D148 HydrophobicContact CG1-CB 3.83Å; V146-D148 PolarHBondContact O-N 2.93Å; D148-K152 HydrophobicContact CB-CD 4.32Å; D148-K152 IonicContact OD1-NZ 3.54Å; D148-K152 PolarHBondContact OD1-NZ 2.74Å; D148-Y153 HydrophobicContact CB-CE2 3.63Å; D148-Y153 PolarHBondContact OD2-OH 3.4Å; D148-Y153 VanDerWaalsContact OD2-OH 3.1Å
149N73.1Confident80.9Confident67 Ų6745.6 Ų45.636%0.35825%0.247SC..  trans-59.4124.8174.2-177.9-12.8000110.1A151 K152N149-A151 PolarHBondContact O-N 3.01Å; N149-A151 VanDerWaalsContact OD1-CB 3.3Å; N149-A151 WeakPolarHBondContact OD1-CB 3.11Å; N149-A151 PolarHBondContact OD1-N 3.49Å; N149-K152 HydrophobicContact CB-CG 4.35Å; N149-K152 WeakPolarHBondContact O-CB 3.43Å; N149-K152 PolarHBondContact O-N 3.24Å
150P79Confident80.4Confident51 Ų5150 Ų5033%0.33125%0.253SS..G310 helixtrans-56.4-25.4178.522.8-34.7000113.4I137 M138 L141 K152 Y153I137-P150 HydrophobicContact CG2-CB 4.4Å; M138-P150 HydrophobicContact CG-CB 4.17Å; M138-P150 HydrophobicContact CG-CG 4.46Å; L141-P150 HydrophobicContact CD1-CB 3.87Å; P150-K152 PolarHBondContact O-N 3.06Å; P150-Y153 PolarHBondContact O-N 3Å
151A77.8Confident79.7Confident34 Ų3455.9 Ų55.928%0.28128%0.275SS..G310 helixtrans-66.8-15.6176.900000114N149 Y153 M203N149-A151 PolarHBondContact O-N 3.01Å; N149-A151 VanDerWaalsContact OD1-CB 3.3Å; N149-A151 WeakPolarHBondContact OD1-CB 3.11Å; N149-A151 PolarHBondContact OD1-N 3.49Å; A151-Y153 PolarHBondContact O-N 2.97Å; A151-M203 HydrophobicContact CB-CB 4.44Å; A151-M203 HydrophobicContact CB-CE 4.39Å; A151-M203 HydrophobicContact CB-CG 4.04Å
152K80.8Confident79.2Confident90 Ų9061.8 Ų61.839%0.39131%0.307SS..G310 helixtrans-75.3-10.6171.2-64-177.8-176.1176.50112.7D148 N149 P150 E196 Q197D148-K152 HydrophobicContact CB-CD 4.32Å; D148-K152 IonicContact OD1-NZ 3.54Å; D148-K152 PolarHBondContact OD1-NZ 2.74Å; N149-K152 HydrophobicContact CB-CG 4.35Å; N149-K152 WeakPolarHBondContact O-CB 3.43Å; N149-K152 PolarHBondContact O-N 3.24Å; P150-K152 PolarHBondContact O-N 3.06Å; K152-E196 CarbonylContact O-C 3.54Å; K152-E196 WeakPolarHBondContact O-CA 3.34Å; K152-Q197 PolarHBondContact O-N 3.03Å
153Y86.2Confident78.7Confident10 Ų1064 Ų644%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-115.2144.6-175.2-58.6-84.4000110.1L93 L141 V146 D148 P150 A151 R195 E196L93-Y153 HydrophobicContact CD1-CE1 4.04Å; L93-Y153 HydrophobicContact CD2-CD1 3.63Å; L93-Y153 HydrophobicContact CD2-CE1 3.57Å; L93-Y153 HydrophobicContact CG-CE1 4.34Å; L141-Y153 HydrophobicContact CD1-CD2 3.44Å; L141-Y153 VanDerWaalsContact CD1-CD2 3.44Å; L141-Y153 HydrophobicContact CD1-CE2 3.95Å; L141-Y153 HydrophobicContact CD1-CG 4.04Å; L141-Y153 HydrophobicContact CD2-CD1 4.14Å; L141-Y153 HydrophobicContact CD2-CD2 3.73Å; L141-Y153 HydrophobicContact CD2-CE1 4.17Å; L141-Y153 HydrophobicContact CD2-CE2 3.74Å; L141-Y153 HydrophobicContact CD2-CG 3.92Å; L141-Y153 HydrophobicContact CG-CD2 4.23Å; V146-Y153 HydrophobicContact CG1-CE2 4.06Å; V146-Y153 WeakPolarHBondContact CG1-OH 3.41Å; D148-Y153 HydrophobicContact CB-CE2 3.63Å; D148-Y153 PolarHBondContact OD2-OH 3.4Å; D148-Y153 VanDerWaalsContact OD2-OH 3.1Å; P150-Y153 PolarHBondContact O-N 3Å; A151-Y153 PolarHBondContact O-N 2.97Å; Y153-R195 WeakPolarHBondContact CA-O 3.45Å; Y153-E196 HydrophobicContact CD1-CB 4.36Å; Y153-E196 HydrophobicContact CE1-CB 4.29Å; Y153-E196 HydrophobicContact CE1-CG 4.39Å
154A90.6Very high78.5Confident3 Ų363.8 Ų63.83%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-133.8144.7174.100000109.9Y156 K169 R195 Q197A154-Y156 HydrophobicContact CB-CD2 4.42Å; A154-Y156 HydrophobicContact CB-CE2 3.7Å; A154-Y156 WeakPolarHBondContact O-CD2 3.45Å; A154-K169 HydrophobicContact CB-CD 4.3Å; A154-K169 HydrophobicContact CB-CG 4.24Å; A154-R195 PolarHBondContact N-O 3.39Å; A154-R195 PolarHBondContact O-N 2.79Å; A154-Q197 HydrophobicContact CB-CB 4.18Å; A154-Q197 VanDerWaalsContact CB-OE1 3.32Å
155L93.2Very high79.1Confident0 Ų066.1 Ų66.10%033%0.332CS..EExtended strand (participates in β ladder)trans-91.5128.9172.9-164.566.8000108.6V89 V133 V136 I137 L170 P176 F192 L194V89-L155 HydrophobicContact CG1-CD1 3.59Å; V89-L155 HydrophobicContact CG2-CD1 4.4Å; V133-L155 HydrophobicContact CG1-CB 3.66Å; V133-L155 HydrophobicContact CG1-CD2 4.17Å; V133-L155 HydrophobicContact CG2-CD2 4.3Å; V136-L155 HydrophobicContact CG1-CD2 4.3Å; I137-L155 HydrophobicContact CD1-CB 4.21Å; I137-L155 HydrophobicContact CG1-CB 4.2Å; L155-L170 HydrophobicContact CB-CD1 4.36Å; L155-L170 HydrophobicContact CD2-CD1 3.88Å; L155-L170 HydrophobicContact CG-CD1 4.01Å; L155-L170 WeakPolarHBondContact O-CB 3.4Å; L155-L170 PolarHBondContact O-N 3.1Å; L155-P176 HydrophobicContact CD2-CG 4.07Å; L155-F192 HydrophobicContact CD1-CB 4.25Å; L155-F192 HydrophobicContact CD2-CD1 4.47Å; L155-L194 HydrophobicContact CD1-CB 4.28Å; L155-L194 HydrophobicContact CD1-CD1 4.25Å
156Y92.2Very high79.8Confident43 Ų4367.4 Ų67.417%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-110138.7177.8-66.6-98.3000109.9A154 V167 C168 K169 F192 V193 R195A154-Y156 HydrophobicContact CB-CD2 4.42Å; A154-Y156 HydrophobicContact CB-CE2 3.7Å; A154-Y156 WeakPolarHBondContact O-CD2 3.45Å; Y156-V167 HydrophobicContact CD1-CG1 3.88Å; Y156-V167 HydrophobicContact CG-CG1 4.19Å; Y156-C168 CarbonylContact C-O 3.57Å; Y156-C168 VanDerWaalsContact CA-O 3.22Å; Y156-C168 WeakPolarHBondContact CA-O 3.37Å; Y156-K169 HydrophobicContact CD1-CB 4.04Å; Y156-K169 HydrophobicContact CE1-CB 3.75Å; Y156-K169 HydrophobicContact CE1-CG 4.43Å; Y156-F192 WeakPolarHBondContact O-CA 3.47Å; Y156-V193 PolarHBondContact N-O 3.11Å; Y156-V193 PolarHBondContact O-N 3.21Å; Y156-R195 HydrophobicContact CD2-CB 3.94Å; Y156-R195 HydrophobicContact CD2-CG 4.26Å; Y156-R195 HydrophobicContact CE2-CB 3.74Å; Y156-R195 HydrophobicContact CE2-CG 4.46Å
157K92.5Very high80.8Confident30 Ų3070.1 Ų70.113%0.1335%0.346CS..EExtended strand (participates in β ladder)trans-87.5128162.659.4179176.5-159.50108.5E46 V167 C168 L170 L190E46-K157 IonicContact OE1-NZ 3.17Å; E46-K157 PolarHBondContact OE1-NZ 2.88Å; K157-V167 WeakPolarHBondContact O-CA 3.45Å; K157-C168 HydrophobicContact CD-CB 4.29Å; K157-C168 VanDerWaalsContact CE-CB 3.46Å; K157-C168 HydrophobicContact CG-CB 3.81Å; K157-C168 PolarHBondContact N-O 2.7Å; K157-C168 PolarHBondContact O-N 3.37Å; K157-L170 HydrophobicContact CB-CD1 4.41Å; K157-L170 HydrophobicContact CB-CD2 3.89Å; K157-L170 HydrophobicContact CB-CG 4.2Å; K157-L170 HydrophobicContact CD-CD2 3.64Å; K157-L170 HydrophobicContact CG-CD2 3.71Å; K157-L170 HydrophobicContact CG-CG 4.29Å; K157-L190 HydrophobicContact CB-CD1 3.78Å
158R91.2Very high82.2Confident88 Ų8870.3 Ų70.333%0.33234%0.344SS..EExtended strand (participates in β ladder)trans-109115.7169.3-18017974.91698.7108.1V165 Y166 V167 L190 S191R158-V165 HydrophobicContact CG-CG1 3.43Å; R158-V165 VanDerWaalsContact CG-CG1 3.43Å; R158-Y166 CarbonylContact C-O 3.55Å; R158-Y166 VanDerWaalsContact CA-O 3.26Å; R158-Y166 WeakPolarHBondContact CA-O 3.47Å; R158-V167 HydrophobicContact CB-CG2 4.25Å; R158-V167 HydrophobicContact CG-CG2 4.01Å; R158-L190 CarbonylContact O-C 3.54Å; R158-L190 WeakPolarHBondContact O-CA 3.43Å; R158-S191 WeakPolarHBondContact CB-OG 3.3Å; R158-S191 PolarHBondContact N-O 3.09Å; R158-S191 PolarHBondContact NE-OG 3.35Å; R158-S191 PolarHBondContact NH2-OG 3.14Å; R158-S191 PolarHBondContact O-N 3.42Å; R158-S191 PolarHBondContact O-OG 2.92Å
159C85.9Confident83.3Confident42 Ų4273.9 Ų73.928%0.28436%0.358SS..EExtended strand (participates in β ladder)trans-120.8142.8-177.4-55.70000110Y166 T189 L190C159-Y166 PolarHBondContact N-O 3.2Å; C159-Y166 PolarHBondContact O-N 3.08Å; C159-T189 WeakPolarHBondContact CA-O 3.27Å; C159-L190 WeakPolarHBondContact SG-CD1 3.31Å
160R79.4Confident84.1Confident141 Ų14170.7 Ų70.753%0.53234%0.341SS..EExtended strand (participates in β ladder)trans-101.9124.9172.6-168.3176.4-177.9-175.7-3.5109.9Q164 V165 D188 T189R160-Q164 WeakPolarHBondContact CA-O 3.37Å; R160-V165 HydrophobicContact CG-CG2 4.47Å; R160-D188 WeakPolarHBondContact CB-O 3.38Å; R160-T189 PolarHBondContact N-O 3.08Å
161R74.3Confident84.6Confident124 Ų12470.6 Ų70.647%0.46834%0.344SS..EExtended strand (participates in β ladder)trans-140130.7175.5179.1-179.2-179.2-155-1.2108.4E44 E163 Q164 Y166E44-R161 IonicContact OE2-CZ 3.95Å; E44-R161 IonicContact OE2-NH1 2.94Å; E44-R161 PolarHBondContact OE2-NH1 3.37Å; R161-E163 VanDerWaalsContact C-N 3.3Å; R161-E163 PolarHBondContact O-N 2.99Å; R161-Q164 PolarHBondContact N-O 3.36Å; R161-Q164 PolarHBondContact O-N 3.14Å; R161-Q164 VanDerWaalsContact O-O 3.07Å; R161-Y166 HydrophobicContact CB-CD2 4.13Å; R161-Y166 HydrophobicContact CB-CE2 3.85Å
162D73.6Confident85.2Confident128 Ų12872.5 Ų72.568%0.68435%0.349SS*.THydrogen-bonded Turntrans50.446176.4-52.6-38.5000113.6Q164D162-Q164 PolarHBondContact O-N 2.89Å
163E74.7Confident85.6Confident170 Ų17073.8 Ų73.879%0.79437%0.365SS*.THydrogen-bonded Turntrans65.3-7.8-174.7-57.9-173.2153.100116.7R161R161-E163 VanDerWaalsContact C-N 3.3Å; R161-E163 PolarHBondContact O-N 2.99Å
164Q75.8Confident86Confident119 Ų11976 Ų7656%0.55638%0.375SS*.EExtended strand (participates in β ladder)trans-90.9145.9174.4-64.1-178.3600111.8R160 R161 D162 Y166R160-Q164 WeakPolarHBondContact CA-O 3.37Å; R161-Q164 PolarHBondContact N-O 3.36Å; R161-Q164 PolarHBondContact O-N 3.14Å; R161-Q164 VanDerWaalsContact O-O 3.07Å; D162-Q164 PolarHBondContact O-N 2.89Å; Q164-Y166 HydrophobicContact CB-CE2 3.86Å; Q164-Y166 PolarHBondContact OE1-OH 3.41Å
165V83.1Confident86.1Confident88 Ų8880.3 Ų80.353%0.53339%0.394SS..EExtended strand (participates in β ladder)trans-105.6113178.6179.20000109.1R158 R160R158-V165 HydrophobicContact CG-CG1 3.43Å; R158-V165 VanDerWaalsContact CG-CG1 3.43Å; R160-V165 HydrophobicContact CG-CG2 4.47Å
166Y81.4Confident86.2Confident99 Ų9980.4 Ų80.439%0.38839%0.394SS..EExtended strand (participates in β ladder)trans-95.2140.2176.9-61-88.5000109.9R158 C159 R161 Q164R158-Y166 CarbonylContact C-O 3.55Å; R158-Y166 VanDerWaalsContact CA-O 3.26Å; R158-Y166 WeakPolarHBondContact CA-O 3.47Å; C159-Y166 PolarHBondContact N-O 3.2Å; C159-Y166 PolarHBondContact O-N 3.08Å; R161-Y166 HydrophobicContact CB-CD2 4.13Å; R161-Y166 HydrophobicContact CB-CE2 3.85Å; Q164-Y166 HydrophobicContact CB-CE2 3.86Å; Q164-Y166 PolarHBondContact OE1-OH 3.41Å
167V86Confident86.4Confident67 Ų6778.3 Ų78.341%0.40639%0.386SS..EExtended strand (participates in β ladder)trans-126.5116.3175-177.20000108.3Y156 K157 R158Y156-V167 HydrophobicContact CD1-CG1 3.88Å; Y156-V167 HydrophobicContact CG-CG1 4.19Å; K157-V167 WeakPolarHBondContact O-CA 3.45Å; R158-V167 HydrophobicContact CB-CG2 4.25Å; R158-V167 HydrophobicContact CG-CG2 4.01Å
168C87.6Confident86.5Confident51 Ų5177.8 Ų77.835%0.34538%0.384SS..EExtended strand (participates in β ladder)trans-121.9140-178.9-56.40000109.7Y156 K157Y156-C168 CarbonylContact C-O 3.57Å; Y156-C168 VanDerWaalsContact CA-O 3.22Å; Y156-C168 WeakPolarHBondContact CA-O 3.37Å; K157-C168 HydrophobicContact CD-CB 4.29Å; K157-C168 VanDerWaalsContact CE-CB 3.46Å; K157-C168 HydrophobicContact CG-CB 3.81Å; K157-C168 PolarHBondContact N-O 2.7Å; K157-C168 PolarHBondContact O-N 3.37Å
169K90.3Very high86.6Confident106 Ų10674.6 Ų74.646%0.46137%0.373SS..EExtended strand (participates in β ladder)trans-68.5134.9169.8179.4-179.2173.4-179.60109.1A154 Y156A154-K169 HydrophobicContact CB-CD 4.3Å; A154-K169 HydrophobicContact CB-CG 4.24Å; Y156-K169 HydrophobicContact CD1-CB 4.04Å; Y156-K169 HydrophobicContact CE1-CB 3.75Å; Y156-K169 HydrophobicContact CE1-CG 4.43Å
170L90.6Very high87.1Confident1 Ų172.8 Ų72.81%0.00536%0.36CS..PPolyproline II helixtrans-86143.6170.9-64172.9000110.4V133 L155 K157 E174 L179 F192V133-L170 HydrophobicContact CG1-CB 4.3Å; V133-L170 HydrophobicContact CG2-CB 3.76Å; V133-L170 HydrophobicContact CG2-CD1 4.03Å; L155-L170 HydrophobicContact CB-CD1 4.36Å; L155-L170 HydrophobicContact CD2-CD1 3.88Å; L155-L170 HydrophobicContact CG-CD1 4.01Å; L155-L170 WeakPolarHBondContact O-CB 3.4Å; L155-L170 PolarHBondContact O-N 3.1Å; K157-L170 HydrophobicContact CB-CD1 4.41Å; K157-L170 HydrophobicContact CB-CD2 3.89Å; K157-L170 HydrophobicContact CB-CG 4.2Å; K157-L170 HydrophobicContact CD-CD2 3.64Å; K157-L170 HydrophobicContact CG-CD2 3.71Å; K157-L170 HydrophobicContact CG-CG 4.29Å; L170-E174 WeakPolarHBondContact CA-OE2 3.26Å; L170-E174 WeakPolarHBondContact CB-OE2 3.23Å; L170-E174 VanDerWaalsContact CD2-OE2 3.22Å; L170-E174 WeakPolarHBondContact CD2-OE2 3.16Å; L170-L179 HydrophobicContact CD1-CD1 4.21Å; L170-L179 HydrophobicContact CD2-CD1 3.52Å; L170-F192 HydrophobicContact CD1-CD1 3.91Å; L170-F192 HydrophobicContact CD1-CE1 3.9Å
171A89.6Confident87.8Confident49 Ų4966.4 Ų66.441%0.40534%0.337SS..PPolyproline II helixtrans-76148.5173.100000110.8V133 V173 E174V133-A171 WeakPolarHBondContact CB-O 3.36Å; V133-A171 WeakPolarHBondContact CG2-O 3.45Å; A171-V173 HydrophobicContact CB-CG2 4.45Å; A171-V173 PolarHBondContact O-N 3.02Å; A171-E174 HydrophobicContact CB-CG 4.14Å; A171-E174 PolarHBondContact N-OE2 3.1Å; A171-E174 WeakPolarHBondContact O-CB 3.33Å; A171-E174 PolarHBondContact O-N 3.05Å
172D90.1Very high88.6Confident73 Ų7362.8 Ų62.839%0.3933%0.328SS..THydrogen-bonded Turntrans-56.9-26.7-175.1-81.710000114.5T132 V133 K134T132-D172 VanDerWaalsContact CB-O 3.26Å; T132-D172 WeakPolarHBondContact CB-O 3.3Å; T132-D172 PolarHBondContact OG1-O 3.08Å; V133-D172 PolarHBondContact N-O 3.01Å; K134-D172 HydrophobicContact CB-CB 4.07Å; K134-D172 PolarHBondContact N-O 3.34Å; K134-D172 VanDerWaalsContact N-O 3.14Å
173V90.3Very high89.5Confident118 Ų11858.5 Ų58.572%0.71531%0.31SS*.THydrogen-bonded Turntrans-90.6-13.7-177.8-610000113.6A171A171-V173 HydrophobicContact CB-CG2 4.45Å; A171-V173 PolarHBondContact O-N 3.02Å
174E92.9Very high90.3Very high56 Ų5651 Ų5126%0.26228%0.279SS..SBendtrans-65.7158.4178.3-73.5-176.4110.800111.1T132 V133 L170 A171 P176T132-E174 CarbonylContact C-O 3.46Å; T132-E174 VanDerWaalsContact CA-O 3.25Å; T132-E174 WeakPolarHBondContact CA-O 3.46Å; V133-E174 HydrophobicContact CG2-CB 3.99Å; V133-E174 WeakPolarHBondContact CG2-O 3.25Å; V133-E174 PolarHBondContact N-O 3.24Å; L170-E174 WeakPolarHBondContact CA-OE2 3.26Å; L170-E174 WeakPolarHBondContact CB-OE2 3.23Å; L170-E174 VanDerWaalsContact CD2-OE2 3.22Å; L170-E174 WeakPolarHBondContact CD2-OE2 3.16Å; A171-E174 HydrophobicContact CB-CG 4.14Å; A171-E174 PolarHBondContact N-OE2 3.1Å; A171-E174 WeakPolarHBondContact O-CB 3.33Å; A171-E174 PolarHBondContact O-N 3.05Å; E174-P176 WeakPolarHBondContact O-CD 3.47Å
175K94.7Very high91.1Very high94 Ų9447 Ų4741%0.40926%0.263SS..  trans-111.2101.7-174.9-71.1165.2167.5-173.30110.1S129 L177 F178 L179S129-K175 WeakPolarHBondContact O-CD 3.04Å; S129-K175 WeakPolarHBondContact O-CE 3.15Å; K175-L177 VanDerWaalsContact C-N 3.3Å; K175-L177 PolarHBondContact O-N 3.23Å; K175-F178 HydrophobicContact CB-CB 3.87Å; K175-F178 WeakPolarHBondContact O-CB 3.45Å; K175-F178 PolarHBondContact O-N 2.96Å; K175-F178 VanDerWaalsContact O-N 3.08Å; K175-L179 PolarHBondContact O-N 3.46Å; K175-L179 VanDerWaalsContact O-N 3.16Å
176P95Very high91.4Very high1 Ų146.2 Ų46.21%0.00626%0.256CS..Hα-helixtrans-60.4-35.4-174.3-27.537.5000114I127 N131 V133 V136 L155 E174 F178 L179 R180 F192I127-P176 HydrophobicContact CD1-CB 4.44Å; N131-P176 WeakPolarHBondContact O-CD 3.49Å; V133-P176 HydrophobicContact CB-CG 4.49Å; V133-P176 HydrophobicContact CG2-CG 3.7Å; V136-P176 HydrophobicContact CG2-CG 4.1Å; L155-P176 HydrophobicContact CD2-CG 4.07Å; E174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 3.46Å; P176-L179 PolarHBondContact O-N 3.23Å; P176-R180 PolarHBondContact O-N 3.43Å; P176-F192 HydrophobicContact CB-CE1 4.39Å; P176-F192 HydrophobicContact CB-CE2 4.48Å; P176-F192 HydrophobicContact CB-CZ 4.14Å; P176-F192 WeakPolarHBondContact O-CZ 3.48Å
177L95.9Very high91.7Very high0 Ų044.7 Ų44.70%025%0.254CS..Hα-helixtrans-66.4-36.4177.9-167.469.1000111.9M75 F83 V87 I127 S128 K175 R180 L181M75-L177 HydrophobicContact CE-CD1 3.79Å; M75-L177 HydrophobicContact CE-CG 4.32Å; M75-L177 HydrophobicContact SD-CD1 4.39Å; F83-L177 HydrophobicContact CD2-CD2 3.64Å; F83-L177 HydrophobicContact CD2-CG 4.18Å; F83-L177 HydrophobicContact CE2-CD2 3.67Å; F83-L177 HydrophobicContact CE2-CG 3.76Å; V87-L177 HydrophobicContact CG1-CD1 3.96Å; I127-L177 HydrophobicContact CD1-CB 3.83Å; I127-L177 HydrophobicContact CG1-CB 4.03Å; I127-L177 HydrophobicContact CG1-CD1 4.08Å; I127-L177 HydrophobicContact CG1-CD2 4.46Å; I127-L177 HydrophobicContact CG1-CG 4.41Å; I127-L177 WeakPolarHBondContact O-CD2 3.22Å; S128-L177 VanDerWaalsContact C-CD2 3.5Å; K175-L177 VanDerWaalsContact C-N 3.3Å; K175-L177 PolarHBondContact O-N 3.23Å; L177-R180 WeakPolarHBondContact O-CB 3.29Å; L177-R180 PolarHBondContact O-N 2.96Å; L177-L181 PolarHBondContact O-N 3.06Å
178F94.6Very high91.8Very high19 Ų1946.5 Ų46.58%0.08326%0.262CS..Hα-helixtrans-65.4-46.2175.8-178-96000111.3V49 R50 F53 F83 K175 P176 R180 L181 V182V49-F178 HydrophobicContact CG1-CE1 4.15Å; R50-F178 WeakPolarHBondContact O-CE1 3.38Å; R50-F178 WeakPolarHBondContact O-CZ 3.31Å; F53-F178 AromaticContact CD2-CE2 3.45Å; F53-F178 HydrophobicContact CD2-CE2 3.45Å; F53-F178 VanDerWaalsContact CD2-CE2 3.45Å; F53-F178 AromaticContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CE2-CE1 4.3Å; F53-F178 AromaticContact CE2-CE2 3.76Å; F53-F178 HydrophobicContact CE2-CE2 3.76Å; F53-F178 AromaticContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CG-CE2 4.46Å; F53-F178 HydrophobicContact CG-CZ 4.49Å; F53-F178 HydrophobicContact CZ-CZ 4.31Å; F83-F178 HydrophobicContact CZ-CD2 4.3Å; K175-F178 HydrophobicContact CB-CB 3.87Å; K175-F178 WeakPolarHBondContact O-CB 3.45Å; K175-F178 PolarHBondContact O-N 2.96Å; K175-F178 VanDerWaalsContact O-N 3.08Å; P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 3.46Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.99Å; F178-L181 WeakPolarHBondContact O-CB 3.37Å; F178-L181 PolarHBondContact O-N 3.45Å; F178-L181 VanDerWaalsContact O-N 3.13Å; F178-V182 HydrophobicContact CD1-CG2 4.31Å; F178-V182 HydrophobicContact CE1-CG2 3.95Å; F178-V182 HydrophobicContact CZ-CG2 4.17Å; F178-V182 WeakPolarHBondContact O-CG2 3.3Å; F178-V182 PolarHBondContact O-N 3.02Å
179L93.8Very high91.8Very high21 Ų2147 Ų4711%0.1126%0.263CS..Hα-helixtrans-58.5-40174.9-63.1175.7000111.6L170 K175 P176 V182 A183 L190 F192L170-L179 HydrophobicContact CD1-CD1 4.21Å; L170-L179 HydrophobicContact CD2-CD1 3.52Å; K175-L179 PolarHBondContact O-N 3.46Å; K175-L179 VanDerWaalsContact O-N 3.16Å; P176-L179 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 2.94Å; L179-A183 WeakPolarHBondContact O-CB 3.32Å; L179-A183 PolarHBondContact O-N 3.24Å; L179-L190 HydrophobicContact CB-CD2 4.25Å; L179-F192 HydrophobicContact CB-CZ 4.23Å; L179-F192 HydrophobicContact CD1-CE1 4.45Å
180R94.9Very high91.9Very high4 Ų442.3 Ų42.32%0.01524%0.243CC..Hα-helixtrans-63.2-44.1174.4179.453.959.1-174.32.5112.5Y65 M75 V87 P176 L177 F178 V182 A183 G184 D186 L190 F192Y65-R180 HydrophobicContact CE2-CG 3.93Å; M75-R180 HydrophobicContact CE-CB 4.1Å; M75-R180 HydrophobicContact CE-CG 3.65Å; V87-R180 HydrophobicContact CG1-CB 4.26Å; P176-R180 PolarHBondContact O-N 3.43Å; L177-R180 WeakPolarHBondContact O-CB 3.29Å; L177-R180 PolarHBondContact O-N 2.96Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.99Å; R180-V182 VanDerWaalsContact C-N 3.28Å; R180-V182 PolarHBondContact O-N 3.48Å; R180-A183 PolarHBondContact O-N 2.96Å; R180-G184 WeakPolarHBondContact CD-O 3.31Å; R180-G184 PolarHBondContact NH1-O 3.49Å; R180-G184 PolarHBondContact O-N 2.96Å; R180-D186 PolarHBondContact NH1-O 3.32Å; R180-L190 PolarHBondContact NH1-O 3.11Å; R180-L190 PolarHBondContact NH2-O 3.11Å; R180-F192 HydrophobicContact CB-CE2 4.3Å
181L94.6Very high92Very high6 Ų642.9 Ų42.93%0.03125%0.247CC..Hα-helixtrans-60.7-39.9177.2178.863.8000111.4I58 K61 I62 M75 F83 L177 F178I58-L181 HydrophobicContact CG2-CD2 4.35Å; K61-L181 HydrophobicContact CB-CD1 3.82Å; K61-L181 HydrophobicContact CB-CD2 4.19Å; K61-L181 HydrophobicContact CB-CG 3.95Å; K61-L181 HydrophobicContact CD-CG 4.43Å; I62-L181 HydrophobicContact CB-CD1 4.49Å; I62-L181 HydrophobicContact CG1-CD1 3.74Å; I62-L181 HydrophobicContact CG1-CD2 4.25Å; M75-L181 HydrophobicContact CE-CB 4.11Å; M75-L181 HydrophobicContact SD-CB 3.97Å; M75-L181 HydrophobicContact SD-CD1 3.71Å; M75-L181 HydrophobicContact SD-CG 4.36Å; F83-L181 HydrophobicContact CD2-CD2 4.47Å; F83-L181 HydrophobicContact CE1-CD2 4.15Å; F83-L181 HydrophobicContact CE2-CB 4.2Å; F83-L181 HydrophobicContact CE2-CD2 3.78Å; F83-L181 HydrophobicContact CZ-CB 4.43Å; F83-L181 HydrophobicContact CZ-CD2 3.6Å; L177-L181 PolarHBondContact O-N 3.06Å; F178-L181 WeakPolarHBondContact O-CB 3.37Å; F178-L181 PolarHBondContact O-N 3.45Å; F178-L181 VanDerWaalsContact O-N 3.13Å
182V92.2Very high92.3Very high49 Ų4940.6 Ų40.630%0.29723%0.228SC..Hα-helixtrans-70.1-42.5179.2175.70000112.3V49 F53 F178 L179 R180V49-V182 HydrophobicContact CG1-CB 4.42Å; V49-V182 HydrophobicContact CG1-CG1 3.96Å; V49-V182 HydrophobicContact CG1-CG2 4.1Å; F53-V182 HydrophobicContact CE2-CG2 3.66Å; F53-V182 HydrophobicContact CZ-CG2 4.25Å; F178-V182 HydrophobicContact CD1-CG2 4.31Å; F178-V182 HydrophobicContact CE1-CG2 3.95Å; F178-V182 HydrophobicContact CZ-CG2 4.17Å; F178-V182 WeakPolarHBondContact O-CG2 3.3Å; F178-V182 PolarHBondContact O-N 3.02Å; L179-V182 PolarHBondContact O-N 2.94Å; R180-V182 VanDerWaalsContact C-N 3.28Å; R180-V182 PolarHBondContact O-N 3.48Å
183A91.4Very high92.4Very high37 Ų3737.4 Ų37.431%0.30621%0.211SC..Hα-helixtrans-78.4-26-177.500000113.7L179 R180 T189 L190L179-A183 WeakPolarHBondContact O-CB 3.32Å; L179-A183 PolarHBondContact O-N 3.24Å; R180-A183 PolarHBondContact O-N 2.96Å; A183-T189 HydrophobicContact CB-CG2 4.34Å; A183-L190 HydrophobicContact CB-CB 3.57Å; A183-L190 HydrophobicContact CB-CD2 3.57Å; A183-L190 HydrophobicContact CB-CG 4.19Å
184G92.1Very high92.4Very high13 Ų1331.8 Ų31.813%0.13418%0.177CC..  trans96176.8-175.700000114R180 D186R180-G184 WeakPolarHBondContact CD-O 3.31Å; R180-G184 PolarHBondContact NH1-O 3.49Å; R180-G184 PolarHBondContact O-N 2.96Å; G184-D186 VanDerWaalsContact C-N 3.27Å; G184-D186 PolarHBondContact O-N 3.07Å
185P92.3Very high92.2Very high34 Ų3433.7 Ų33.722%0.22118%0.182CC..SBendtrans-75.2-14.1-172.828.8-34.2000113.9Y65 L68Y65-P185 HydrophobicContact CD2-CB 4.31Å; Y65-P185 HydrophobicContact CD2-CG 4.49Å; Y65-P185 HydrophobicContact CE1-CB 4.16Å; Y65-P185 VanDerWaalsContact CE2-CA 3.44Å; Y65-P185 HydrophobicContact CE2-CB 3.77Å; Y65-P185 HydrophobicContact CE2-CG 4.4Å; Y65-P185 VanDerWaalsContact CE2-N 3.27Å; L68-P185 HydrophobicContact CB-CG 3.69Å
186D90.1Very high91.7Very high73 Ų7330.8 Ų30.839%0.3917%0.17SC..  trans-69.1132.5-178.4177.537.3000112.5R180 G184 D188 T189 L190R180-D186 PolarHBondContact NH1-O 3.32Å; G184-D186 VanDerWaalsContact C-N 3.27Å; G184-D186 PolarHBondContact O-N 3.07Å; D186-D188 PolarHBondContact OD1-N 3.14Å; D186-D188 VanDerWaalsContact OD1-N 3.17Å; D186-T189 WeakPolarHBondContact OD2-CB 3.37Å; D186-T189 PolarHBondContact OD2-N 3.4Å; D186-T189 PolarHBondContact OD2-OG1 3.36Å; D186-L190 PolarHBondContact O-N 2.85Å
187L87.5Confident90.7Very high66 Ų6632 Ų3235%0.34618%0.175SC..THydrogen-bonded Turntrans-83.4-21.1-178.9-64.4177.8000112.6K88 L190 S191K88-L187 HydrophobicContact CB-CD2 4.28Å; K88-L187 HydrophobicContact CD-CD1 3.98Å; K88-L187 HydrophobicContact CD-CD2 4.18Å; L187-L190 CarbonylContact C-O 3.46Å; L187-L190 WeakPolarHBondContact CA-O 3.49Å; L187-L190 CarbonylContact O-C 3.38Å; L187-S191 WeakPolarHBondContact O-CB 3.14Å
188D86.5Confident89.1Confident105 Ų10538.9 Ų38.956%0.56121%0.208SC*.THydrogen-bonded Turntrans-75.8-36.3175.4-70.1-17.6000110.8R160 D186R160-D188 WeakPolarHBondContact CB-O 3.38Å; D186-D188 PolarHBondContact OD1-N 3.14Å; D186-D188 VanDerWaalsContact OD1-N 3.17Å
189T88.6Confident87Confident62 Ų6240.7 Ų40.738%0.3822%0.22SC..THydrogen-bonded Turntrans-65.2-48.9174-58.70000112.1C159 R160 A183 D186C159-T189 WeakPolarHBondContact CA-O 3.27Å; R160-T189 PolarHBondContact N-O 3.08Å; A183-T189 HydrophobicContact CB-CG2 4.34Å; D186-T189 WeakPolarHBondContact OD2-CB 3.37Å; D186-T189 PolarHBondContact OD2-N 3.4Å; D186-T189 PolarHBondContact OD2-OG1 3.36Å
190L91.6Very high85Confident7 Ų743.7 Ų43.74%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-141.5132.5176.9175.668.1000109.7K157 R158 C159 L179 R180 A183 D186 L187 F192K157-L190 HydrophobicContact CB-CD1 3.78Å; R158-L190 CarbonylContact O-C 3.54Å; R158-L190 WeakPolarHBondContact O-CA 3.43Å; C159-L190 WeakPolarHBondContact SG-CD1 3.31Å; L179-L190 HydrophobicContact CB-CD2 4.25Å; R180-L190 PolarHBondContact NH1-O 3.11Å; R180-L190 PolarHBondContact NH2-O 3.11Å; A183-L190 HydrophobicContact CB-CB 3.57Å; A183-L190 HydrophobicContact CB-CD2 3.57Å; A183-L190 HydrophobicContact CB-CG 4.19Å; D186-L190 PolarHBondContact O-N 2.85Å; L187-L190 CarbonylContact C-O 3.46Å; L187-L190 WeakPolarHBondContact CA-O 3.49Å; L187-L190 CarbonylContact O-C 3.38Å; L190-F192 HydrophobicContact CD1-CE1 4.37Å; L190-F192 HydrophobicContact CD2-CE1 4.18Å; L190-F192 HydrophobicContact CD2-CE2 4.33Å; L190-F192 HydrophobicContact CD2-CZ 3.72Å; L190-F192 HydrophobicContact CG-CE1 4.44Å; L190-F192 HydrophobicContact CG-CZ 4.27Å
191S93.4Very high82.7Confident13 Ų1350.5 Ų50.59%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-135.7145.5170.938.90000110.6R158 L187R158-S191 WeakPolarHBondContact CB-OG 3.3Å; R158-S191 PolarHBondContact N-O 3.09Å; R158-S191 PolarHBondContact NE-OG 3.35Å; R158-S191 PolarHBondContact NH2-OG 3.14Å; R158-S191 PolarHBondContact O-N 3.42Å; R158-S191 PolarHBondContact O-OG 2.92Å; L187-S191 WeakPolarHBondContact O-CB 3.14Å
192F95.3Very high81.1Confident2 Ų253.1 Ų53.11%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-103.6133.7177.5-61.1-66.2000109.8V87 V89 M90 L155 Y156 L170 P176 L179 R180 L190V87-F192 HydrophobicContact CB-CD2 4.34Å; V87-F192 HydrophobicContact CB-CE2 4.3Å; V87-F192 HydrophobicContact CG1-CE2 4.14Å; V89-F192 WeakPolarHBondContact CA-O 3.35Å; V89-F192 HydrophobicContact CB-CB 4.44Å; V89-F192 HydrophobicContact CG1-CB 4.38Å; V89-F192 HydrophobicContact CG2-CB 3.99Å; M90-F192 PolarHBondContact N-O 3.38Å; L155-F192 HydrophobicContact CD1-CB 4.25Å; L155-F192 HydrophobicContact CD2-CD1 4.47Å; Y156-F192 WeakPolarHBondContact O-CA 3.47Å; L170-F192 HydrophobicContact CD1-CD1 3.91Å; L170-F192 HydrophobicContact CD1-CE1 3.9Å; P176-F192 HydrophobicContact CB-CE1 4.39Å; P176-F192 HydrophobicContact CB-CE2 4.48Å; P176-F192 HydrophobicContact CB-CZ 4.14Å; P176-F192 WeakPolarHBondContact O-CZ 3.48Å; L179-F192 HydrophobicContact CB-CZ 4.23Å; L179-F192 HydrophobicContact CD1-CE1 4.45Å; R180-F192 HydrophobicContact CB-CE2 4.3Å; L190-F192 HydrophobicContact CD1-CE1 4.37Å; L190-F192 HydrophobicContact CD2-CE1 4.18Å; L190-F192 HydrophobicContact CD2-CE2 4.33Å; L190-F192 HydrophobicContact CD2-CZ 3.72Å; L190-F192 HydrophobicContact CG-CE1 4.44Å; L190-F192 HydrophobicContact CG-CZ 4.27Å
193V92.4Very high80Confident5 Ų555.1 Ų55.13%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-128.9122.1179.4-169.10000108.8M90 D92 Y156 R195M90-V193 HydrophobicContact CB-CG1 4.38Å; M90-V193 HydrophobicContact CB-CG2 4.37Å; M90-V193 CarbonylContact O-C 3.49Å; M90-V193 WeakPolarHBondContact O-CA 3.47Å; D92-V193 HydrophobicContact CB-CG1 3.77Å; Y156-V193 PolarHBondContact N-O 3.11Å; Y156-V193 PolarHBondContact O-N 3.21Å; V193-R195 HydrophobicContact CG1-CG 3.92Å
194L91.3Very high79.2Confident0 Ų059.2 Ų59.20%032%0.32CS..EExtended strand (participates in β ladder)trans-87.1121171.3-172.375.3000108.6V89 M90 M91 D92 L93 I137 L140 L141 L155V89-L194 HydrophobicContact CG1-CB 3.95Å; M90-L194 PolarHBondContact O-N 3.13Å; M91-L194 HydrophobicContact CE-CD2 3.5Å; M91-L194 HydrophobicContact SD-CB 4.14Å; M91-L194 HydrophobicContact SD-CD2 3.7Å; D92-L194 CarbonylContact C-O 3.57Å; D92-L194 PolarHBondContact N-O 2.92Å; L93-L194 HydrophobicContact CD2-CD2 4.27Å; L93-L194 HydrophobicContact CD2-CG 4.35Å; I137-L194 HydrophobicContact CB-CD1 4.39Å; I137-L194 HydrophobicContact CG1-CD1 3.76Å; I137-L194 HydrophobicContact CG2-CD1 4.21Å; L140-L194 HydrophobicContact CB-CD2 4.25Å; L140-L194 HydrophobicContact CD1-CD2 4.26Å; L141-L194 HydrophobicContact CD2-CD2 4.19Å; L155-L194 HydrophobicContact CD1-CB 4.28Å; L155-L194 HydrophobicContact CD1-CD1 4.25Å
195R88.1Confident78.1Confident96 Ų9666.2 Ų66.236%0.36235%0.354SS..EExtended strand (participates in β ladder)trans-126.6152.6178.5-70.9-178.8166.4170.32111D92 Y153 A154 Y156 V193 Q197D92-R195 HydrophobicContact CB-CG 4.02Å; D92-R195 IonicContact OD2-CZ 3.51Å; D92-R195 IonicContact OD2-NE 2.88Å; D92-R195 PolarHBondContact OD2-NE 3.37Å; D92-R195 IonicContact OD2-NH2 3.33Å; D92-R195 PolarHBondContact OD2-NH2 3.37Å; Y153-R195 WeakPolarHBondContact CA-O 3.45Å; A154-R195 PolarHBondContact N-O 3.39Å; A154-R195 PolarHBondContact O-N 2.79Å; Y156-R195 HydrophobicContact CD2-CB 3.94Å; Y156-R195 HydrophobicContact CD2-CG 4.26Å; Y156-R195 HydrophobicContact CE2-CB 3.74Å; Y156-R195 HydrophobicContact CE2-CG 4.46Å; V193-R195 HydrophobicContact CG1-CG 3.92Å; R195-Q197 PolarHBondContact O-N 3.14Å
196E83.3Confident77.1Confident33 Ų3367.3 Ų67.315%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-72119.7165.3-166.2-175.716800108.8R95 K152 Y153 Q198R95-E196 WeakPolarHBondContact CD-OE1 3.47Å; R95-E196 WeakPolarHBondContact CD-OE2 3.48Å; R95-E196 VanDerWaalsContact CG-OE2 3.31Å; R95-E196 WeakPolarHBondContact CG-OE2 3.29Å; R95-E196 IonicContact CZ-OE1 2.79Å; R95-E196 IonicContact NE-OE1 3.4Å; R95-E196 PolarHBondContact NE-OE1 2.88Å; R95-E196 IonicContact NE-OE2 2.7Å; K152-E196 CarbonylContact O-C 3.54Å; K152-E196 WeakPolarHBondContact O-CA 3.34Å; Y153-E196 HydrophobicContact CD1-CB 4.36Å; Y153-E196 HydrophobicContact CE1-CB 4.29Å; Y153-E196 HydrophobicContact CE1-CG 4.39Å; E196-Q198 PolarHBondContact O-N 3.31Å
197Q75.6Confident76.3Confident26 Ų2667.2 Ų67.212%0.12136%0.362CS..  trans-82.8105.8176.4-166178.4-81.900108.1K152 A154 R195 T199K152-Q197 PolarHBondContact O-N 3.03Å; A154-Q197 HydrophobicContact CB-CB 4.18Å; A154-Q197 VanDerWaalsContact CB-OE1 3.32Å; R195-Q197 PolarHBondContact O-N 3.14Å; Q197-T199 HydrophobicContact CG-CG2 3.95Å; Q197-T199 WeakPolarHBondContact CG-OG1 3.36Å; Q197-T199 PolarHBondContact NE2-OG1 3.01Å; Q197-T199 PolarHBondContact O-N 3.19Å
198Q60.9Low75.9Confident146 Ų14666.6 Ų66.668%0.68236%0.363SS*.  trans-76.255.6163.8-70.2-174.6-6.200109.5E196 G200E196-Q198 PolarHBondContact O-N 3.31Å; Q198-G200 PolarHBondContact O-N 3.37Å
199T51.7Low75.8Confident56 Ų5667.3 Ų67.334%0.34437%0.366SS..  trans-70.4118.6165.2190000106.5Q197 E201Q197-T199 HydrophobicContact CG-CG2 3.95Å; Q197-T199 WeakPolarHBondContact CG-OG1 3.36Å; Q197-T199 PolarHBondContact NE2-OG1 3.01Å; Q197-T199 PolarHBondContact O-N 3.19Å; T199-E201 HydrophobicContact CG2-CB 3.94Å; T199-E201 PolarHBondContact O-N 3.14Å
200G51.9Low75.7Confident85 Ų8568.7 Ų68.788%0.87638%0.376SS*.SBendtrans-60.4-0.4156.900000112.8Q198 V202Q198-G200 PolarHBondContact O-N 3.37Å; G200-V202 PolarHBondContact O-N 2.9Å
201E46.2Very low75.2Confident146 Ų14672.7 Ų72.768%0.68239%0.394SS*.SBendtrans-83.2105.1169.5-154.7169.8-154.700109.7T199 M203T199-E201 HydrophobicContact CG2-CB 3.94Å; T199-E201 PolarHBondContact O-N 3.14Å; E201-M203 PolarHBondContact O-N 3.27Å
202V61.6Low74.9Confident61 Ų6174.6 Ų74.637%0.3740%0.403SS..  trans-70.2125176.3177.40000108.6G200 W204 F207G200-V202 PolarHBondContact O-N 2.9Å; V202-W204 VanDerWaalsContact C-N 3.26Å; V202-W204 HydrophobicContact CB-CD2 4.08Å; V202-W204 HydrophobicContact CB-CE3 4.44Å; V202-W204 HydrophobicContact CB-CH2 4.2Å; V202-W204 HydrophobicContact CB-CZ2 3.77Å; V202-W204 HydrophobicContact CG1-CD2 3.77Å; V202-W204 HydrophobicContact CG1-CE3 3.73Å; V202-W204 HydrophobicContact CG1-CG 4.43Å; V202-W204 HydrophobicContact CG1-CH2 4.03Å; V202-W204 HydrophobicContact CG1-CZ2 4.04Å; V202-W204 HydrophobicContact CG1-CZ3 3.87Å; V202-W204 HydrophobicContact CG2-CH2 4.44Å; V202-W204 HydrophobicContact CG2-CZ2 4.19Å; V202-W204 PolarHBondContact O-N 3.05Å; V202-W204 PolarHBondContact O-NE1 3.33Å; V202-F207 HydrophobicContact CG1-CD2 4.4Å; V202-F207 HydrophobicContact CG1-CE2 3.52Å; V202-F207 HydrophobicContact CG1-CZ 4.18Å
203M67.8Low74.5Confident92 Ų9282.9 Ų82.945%0.45343%0.434SS..  trans-74.181.1174.5-68.4-72.3-65.300109.5A151 E201 D205 A206 F207A151-M203 HydrophobicContact CB-CB 4.44Å; A151-M203 HydrophobicContact CB-CE 4.39Å; A151-M203 HydrophobicContact CB-CG 4.04Å; E201-M203 PolarHBondContact O-N 3.27Å; M203-D205 PolarHBondContact O-N 3.05Å; M203-A206 HydrophobicContact CB-CB 4.44Å; M203-A206 WeakPolarHBondContact O-CB 3.38Å; M203-A206 PolarHBondContact O-N 3.31Å; M203-F207 WeakPolarHBondContact O-CD2 3.21Å
204W76.1Confident74.4Confident123 Ų12386 Ų8647%0.46645%0.451SS..G310 helixtrans-57.4-32.4-173.9-61.7109000113.2V202 A206 F207 L212 F215V202-W204 VanDerWaalsContact C-N 3.26Å; V202-W204 HydrophobicContact CB-CD2 4.08Å; V202-W204 HydrophobicContact CB-CE3 4.44Å; V202-W204 HydrophobicContact CB-CH2 4.2Å; V202-W204 HydrophobicContact CB-CZ2 3.77Å; V202-W204 HydrophobicContact CG1-CD2 3.77Å; V202-W204 HydrophobicContact CG1-CE3 3.73Å; V202-W204 HydrophobicContact CG1-CG 4.43Å; V202-W204 HydrophobicContact CG1-CH2 4.03Å; V202-W204 HydrophobicContact CG1-CZ2 4.04Å; V202-W204 HydrophobicContact CG1-CZ3 3.87Å; V202-W204 HydrophobicContact CG2-CH2 4.44Å; V202-W204 HydrophobicContact CG2-CZ2 4.19Å; V202-W204 PolarHBondContact O-N 3.05Å; V202-W204 PolarHBondContact O-NE1 3.33Å; W204-A206 PolarHBondContact O-N 3.22Å; W204-A206 VanDerWaalsContact O-N 3.14Å; W204-F207 PolarHBondContact O-N 3.49Å; W204-F207 VanDerWaalsContact O-N 3.14Å; W204-L212 HydrophobicContact CB-CD2 4.21Å; W204-L212 HydrophobicContact CD2-CD2 4.45Å; W204-L212 HydrophobicContact CE3-CD2 3.61Å; W204-L212 HydrophobicContact CZ3-CD2 4.4Å; W204-F215 HydrophobicContact CE3-CD2 4.39Å; W204-F215 HydrophobicContact CZ3-CB 4.22Å; W204-F215 AromaticContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CE2 4.49Å; W204-F215 HydrophobicContact CZ3-CG 4.16Å
205D68.9Low74.4Confident159 Ų15989.3 Ų89.385%0.8547%0.465SS*.G310 helixtrans-66.6-13.5178.5-57.8-29.9000114.1M203 F207M203-D205 PolarHBondContact O-N 3.05Å; D205-F207 VanDerWaalsContact C-N 3.35Å
206A70.6Confident74.5Confident57 Ų5789.9 Ų89.947%0.47148%0.475SS..G310 helixtrans-84.1-10176.900000113.4M203 W204M203-A206 HydrophobicContact CB-CB 4.44Å; M203-A206 WeakPolarHBondContact O-CB 3.38Å; M203-A206 PolarHBondContact O-N 3.31Å; W204-A206 PolarHBondContact O-N 3.22Å; W204-A206 VanDerWaalsContact O-N 3.14Å
207F74.3Confident74.9Confident72 Ų7295.7 Ų95.732%0.31650%0.495SS..SBendtrans-99145.1179.8-61.9-85.7000110.8V202 M203 W204 D205 E211 L212 F215V202-F207 HydrophobicContact CG1-CD2 4.4Å; V202-F207 HydrophobicContact CG1-CE2 3.52Å; V202-F207 HydrophobicContact CG1-CZ 4.18Å; M203-F207 WeakPolarHBondContact O-CD2 3.21Å; W204-F207 PolarHBondContact O-N 3.49Å; W204-F207 VanDerWaalsContact O-N 3.14Å; D205-F207 VanDerWaalsContact C-N 3.35Å; F207-E211 HydrophobicContact CB-CB 4.11Å; F207-E211 HydrophobicContact CD1-CB 4.39Å; F207-L212 HydrophobicContact CB-CD2 3.86Å; F207-L212 HydrophobicContact CB-CG 3.96Å; F207-F215 HydrophobicContact CB-CE2 4.25Å; F207-F215 AromaticContact CD1-CE2 3.52Å; F207-F215 HydrophobicContact CD1-CE2 3.52Å; F207-F215 AromaticContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD2-CE2 4.24Å; F207-F215 AromaticContact CE1-CE2 3.81Å; F207-F215 HydrophobicContact CE1-CE2 3.81Å; F207-F215 AromaticContact CE1-CZ 3.71Å; F207-F215 HydrophobicContact CE1-CZ 3.71Å; F207-F215 AromaticContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CZ 4.46Å; F207-F215 HydrophobicContact CZ-CE2 4.29Å; F207-F215 HydrophobicContact CZ-CZ 4.31Å
208S78.5Confident75.6Confident53 Ų5397.6 Ų97.637%0.37151%0.506SS..  trans-68155172.967.10000111.1P210 E211 L212S208-P210 VanDerWaalsContact C-CD 3.44Å; S208-P210 VanDerWaalsContact C-N 3.29Å; S208-E211 WeakPolarHBondContact CB-OE2 3.46Å; S208-E211 PolarHBondContact N-OE2 3Å; S208-E211 WeakPolarHBondContact O-CB 3.36Å; S208-E211 PolarHBondContact O-N 3.17Å; S208-E211 VanDerWaalsContact OG-CG 3.3Å; S208-E211 WeakPolarHBondContact OG-CG 3.34Å; S208-E211 PolarHBondContact OG-OE2 3.43Å; S208-L212 PolarHBondContact O-N 3.38Å
209I85.3Confident77Confident119 Ų11994.8 Ų94.861%0.6150%0.495SS*.Hα-helixtrans-52.4-41.4177.9-61.1172.3000112.4E211 L212 R213I209-E211 PolarHBondContact O-N 3.44Å; I209-L212 PolarHBondContact O-N 3.03Å; I209-R213 WeakPolarHBondContact O-CG 3.39Å; I209-R213 PolarHBondContact O-N 3.31Å
210P86.4Confident79Confident91 Ų9197 Ų9759%0.59150%0.504SS*.Hα-helixtrans-61.9-38.3174.3-24.835.9000114.3S208 R213 N214S208-P210 VanDerWaalsContact C-CD 3.44Å; S208-P210 VanDerWaalsContact C-N 3.29Å; P210-R213 PolarHBondContact O-N 3.45Å; P210-N214 PolarHBondContact O-N 3.34Å; P210-N214 VanDerWaalsContact O-N 3.1Å
211E80.7Confident81Confident92 Ų9299 Ų9943%0.4349%0.489SS..Hα-helixtrans-67.8-44177.8-70.4164.5140.800110.9F207 S208 I209 R213 N214 F215F207-E211 HydrophobicContact CB-CB 4.11Å; F207-E211 HydrophobicContact CD1-CB 4.39Å; S208-E211 WeakPolarHBondContact CB-OE2 3.46Å; S208-E211 PolarHBondContact N-OE2 3Å; S208-E211 WeakPolarHBondContact O-CB 3.36Å; S208-E211 PolarHBondContact O-N 3.17Å; S208-E211 VanDerWaalsContact OG-CG 3.3Å; S208-E211 WeakPolarHBondContact OG-CG 3.34Å; S208-E211 PolarHBondContact OG-OE2 3.43Å; I209-E211 PolarHBondContact O-N 3.44Å; E211-R213 VanDerWaalsContact C-N 3.32Å; E211-R213 PolarHBondContact O-N 3.3Å; E211-N214 WeakPolarHBondContact O-CB 3.33Å; E211-N214 PolarHBondContact O-N 2.97Å; E211-F215 HydrophobicContact CB-CE2 4.19Å; E211-F215 WeakPolarHBondContact O-CD2 3.3Å; E211-F215 WeakPolarHBondContact O-CG 3.31Å; E211-F215 PolarHBondContact O-N 3.31Å
212L87.4Confident83.3Confident52 Ų5296.9 Ų96.927%0.27248%0.479SS..Hα-helixtrans-57.9-42.9174.2-67.8176.1000112.4W204 F207 S208 I209 N214 F215 L216W204-L212 HydrophobicContact CB-CD2 4.21Å; W204-L212 HydrophobicContact CD2-CD2 4.45Å; W204-L212 HydrophobicContact CE3-CD2 3.61Å; W204-L212 HydrophobicContact CZ3-CD2 4.4Å; F207-L212 HydrophobicContact CB-CD2 3.86Å; F207-L212 HydrophobicContact CB-CG 3.96Å; S208-L212 PolarHBondContact O-N 3.38Å; I209-L212 PolarHBondContact O-N 3.03Å; L212-N214 VanDerWaalsContact C-N 3.29Å; L212-N214 PolarHBondContact O-N 3.49Å; L212-F215 HydrophobicContact CD2-CD2 4.27Å; L212-F215 PolarHBondContact O-N 3.08Å; L212-L216 PolarHBondContact O-N 3.38Å
213R85.3Confident84.8Confident176 Ų176100.5 Ų100.566%0.66449%0.492SS*.Hα-helixtrans-63.2-34.9174.6-73.9176.9179.8176.50.5112.7I209 P210 E211 R217I209-R213 WeakPolarHBondContact O-CG 3.39Å; I209-R213 PolarHBondContact O-N 3.31Å; P210-R213 PolarHBondContact O-N 3.45Å; E211-R213 VanDerWaalsContact C-N 3.32Å; E211-R213 PolarHBondContact O-N 3.3Å; R213-R217 PolarHBondContact O-N 3.05Å; R213-R217 VanDerWaalsContact O-N 3.11Å
214N91.4Very high86.1Confident71 Ų71100.4 Ų100.438%0.3849%0.491SS..Hα-helixtrans-68.5-41.9176.2-162.1-9.6000111.1P210 E211 L212 L216 R217 I218P210-N214 PolarHBondContact O-N 3.34Å; P210-N214 VanDerWaalsContact O-N 3.1Å; E211-N214 WeakPolarHBondContact O-CB 3.33Å; E211-N214 PolarHBondContact O-N 2.97Å; L212-N214 VanDerWaalsContact C-N 3.29Å; L212-N214 PolarHBondContact O-N 3.49Å; N214-L216 PolarHBondContact O-N 3.49Å; N214-R217 PolarHBondContact O-N 2.98Å; N214-R217 PolarHBondContact OD1-NH2 3.28Å; N214-I218 WeakPolarHBondContact O-CG1 3.32Å; N214-I218 PolarHBondContact O-N 3.49Å
215F89.9Confident87Confident70 Ų7098.8 Ų98.831%0.30749%0.488SS..Hα-helixtrans-59.2-45.7174.8-61.3-48.7000111.9W204 F207 E211 L212 R217 I218 L219W204-F215 HydrophobicContact CE3-CD2 4.39Å; W204-F215 HydrophobicContact CZ3-CB 4.22Å; W204-F215 AromaticContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CE2 4.49Å; W204-F215 HydrophobicContact CZ3-CG 4.16Å; F207-F215 HydrophobicContact CB-CE2 4.25Å; F207-F215 AromaticContact CD1-CE2 3.52Å; F207-F215 HydrophobicContact CD1-CE2 3.52Å; F207-F215 AromaticContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD2-CE2 4.24Å; F207-F215 AromaticContact CE1-CE2 3.81Å; F207-F215 HydrophobicContact CE1-CE2 3.81Å; F207-F215 AromaticContact CE1-CZ 3.71Å; F207-F215 HydrophobicContact CE1-CZ 3.71Å; F207-F215 AromaticContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CZ 4.46Å; F207-F215 HydrophobicContact CZ-CE2 4.29Å; F207-F215 HydrophobicContact CZ-CZ 4.31Å; E211-F215 HydrophobicContact CB-CE2 4.19Å; E211-F215 WeakPolarHBondContact O-CD2 3.3Å; E211-F215 WeakPolarHBondContact O-CG 3.31Å; E211-F215 PolarHBondContact O-N 3.31Å; L212-F215 HydrophobicContact CD2-CD2 4.27Å; L212-F215 PolarHBondContact O-N 3.08Å; F215-R217 VanDerWaalsContact C-N 3.33Å; F215-R217 PolarHBondContact O-N 2.86Å; F215-I218 PolarHBondContact O-N 2.87Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.44Å
216L90.1Very high88.2Confident107 Ų10797.2 Ų97.256%0.5648%0.476SS*.Hα-helixtrans-57.2-46.8175-70.5174.8000111.9L212 N214 I218 L219 D220L212-L216 PolarHBondContact O-N 3.38Å; N214-L216 PolarHBondContact O-N 3.49Å; L216-I218 VanDerWaalsContact C-N 3.3Å; L216-I218 PolarHBondContact O-N 3.34Å; L216-L219 PolarHBondContact O-N 2.95Å; L216-D220 VanDerWaalsContact O-CG 3.27Å; L216-D220 PolarHBondContact O-N 3.27Å
217R92.3Very high89.4Confident155 Ų155100.1 Ų100.159%0.58548%0.478SS*.Hα-helixtrans-61.7-36.8178.9-172.9-172.16694.76.4113R213 N214 F215 K221R213-R217 PolarHBondContact O-N 3.05Å; R213-R217 VanDerWaalsContact O-N 3.11Å; N214-R217 PolarHBondContact O-N 2.98Å; N214-R217 PolarHBondContact OD1-NH2 3.28Å; F215-R217 VanDerWaalsContact C-N 3.33Å; F215-R217 PolarHBondContact O-N 2.86Å; R217-K221 PolarHBondContact O-N 3.34Å
218I89.9Confident90.5Very high66 Ų66100.2 Ų100.234%0.33848%0.479SS..Hα-helixtrans-67.6-46.4176.4-68164.7000109.7N214 F215 L216 D220 K221 E222N214-I218 WeakPolarHBondContact O-CG1 3.32Å; N214-I218 PolarHBondContact O-N 3.49Å; F215-I218 PolarHBondContact O-N 2.87Å; L216-I218 VanDerWaalsContact C-N 3.3Å; L216-I218 PolarHBondContact O-N 3.34Å; I218-D220 PolarHBondContact O-N 3.05Å; I218-K221 WeakPolarHBondContact O-CB 3.49Å; I218-K221 PolarHBondContact O-N 3.1Å; I218-K221 VanDerWaalsContact O-N 3.17Å; I218-E222 HydrophobicContact CG2-CG 4.41Å; I218-E222 WeakPolarHBondContact O-CG 3.38Å; I218-E222 PolarHBondContact O-N 2.95Å
219L91.6Very high91.3Very high88 Ų8899.3 Ų99.346%0.46148%0.475SS..Hα-helixtrans-61.7-43.8178.8-69.4171.1000112.1F215 L216 K221 E222 E223F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.44Å; L216-L219 PolarHBondContact O-N 2.95Å; L219-K221 PolarHBondContact O-N 3.35Å; L219-E222 PolarHBondContact O-N 3.47Å; L219-E223 WeakPolarHBondContact O-CB 3.49Å; L219-E223 PolarHBondContact O-N 2.96Å
220D93.1Very high91.8Very high101 Ų10198.7 Ų98.754%0.5447%0.472SS..Hα-helixtrans-58.7-40175.9-69.9-23.8000111.3L216 I218 Q224L216-D220 VanDerWaalsContact O-CG 3.27Å; L216-D220 PolarHBondContact O-N 3.27Å; I218-D220 PolarHBondContact O-N 3.05Å; D220-Q224 WeakPolarHBondContact O-CB 3.44Å; D220-Q224 PolarHBondContact O-N 2.96Å
221K94.6Very high92.2Very high127 Ų12798 Ų9855%0.55246%0.462SS*.Hα-helixtrans-67.6-47177.9-168.4-175.5-176.5-103.50111.2R217 I218 L219 E223 Q224 E225R217-K221 PolarHBondContact O-N 3.34Å; I218-K221 WeakPolarHBondContact O-CB 3.49Å; I218-K221 PolarHBondContact O-N 3.1Å; I218-K221 VanDerWaalsContact O-N 3.17Å; L219-K221 PolarHBondContact O-N 3.35Å; K221-E223 VanDerWaalsContact C-N 3.34Å; K221-Q224 PolarHBondContact O-N 3.48Å; K221-E225 WeakPolarHBondContact CE-OE1 3.48Å; K221-E225 IonicContact NZ-OE1 2.67Å; K221-E225 PolarHBondContact NZ-OE1 3.3Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.45Å
222E93.1Very high92.9Very high103 Ų10399.8 Ų99.848%0.48147%0.465SS..Hα-helixtrans-62.1-42.3178-74.2178.2174.400111.4I218 L219 Q224 E225 Q226I218-E222 HydrophobicContact CG2-CG 4.41Å; I218-E222 WeakPolarHBondContact O-CG 3.38Å; I218-E222 PolarHBondContact O-N 2.95Å; L219-E222 PolarHBondContact O-N 3.47Å; E222-Q224 PolarHBondContact O-N 3.46Å; E222-E225 PolarHBondContact O-N 3.27Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.26Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 2.93Å
223E94.4Very high93.3Very high137 Ų137106.5 Ų106.564%0.6449%0.487SS*.Hα-helixtrans-60.2-45.9176-175.9-179.9-175.200111.4L219 K221 E225 Q226 K227L219-E223 WeakPolarHBondContact O-CB 3.49Å; L219-E223 PolarHBondContact O-N 2.96Å; K221-E223 VanDerWaalsContact C-N 3.34Å; E223-E225 PolarHBondContact O-N 3.21Å; E223-Q226 PolarHBondContact O-N 3.48Å; E223-K227 WeakPolarHBondContact O-CB 3.3Å; E223-K227 PolarHBondContact O-N 3.35Å
224Q95.3Very high93.8Very high89 Ų89106.2 Ų106.242%0.41649%0.487SS..Hα-helixtrans-63.1-43.2178.5-177.558.931.100111.6D220 K221 E222 Q226 K227 E228D220-Q224 WeakPolarHBondContact O-CB 3.44Å; D220-Q224 PolarHBondContact O-N 2.96Å; K221-Q224 PolarHBondContact O-N 3.48Å; E222-Q224 PolarHBondContact O-N 3.46Å; Q224-Q226 VanDerWaalsContact C-N 3.35Å; Q224-Q226 PolarHBondContact O-N 3.34Å; Q224-K227 PolarHBondContact O-N 2.88Å; Q224-E228 PolarHBondContact NE2-OE1 3.33Å; Q224-E228 WeakPolarHBondContact O-CG 3.39Å; Q224-E228 PolarHBondContact O-N 3.07Å
225E95.2Very high94Very high89 Ų89106.8 Ų106.842%0.41649%0.487SS..Hα-helixtrans-61.8-41.5175.9-74175.8-174.500112K221 E222 E223 E228 A229K221-E225 WeakPolarHBondContact CE-OE1 3.48Å; K221-E225 IonicContact NZ-OE1 2.67Å; K221-E225 PolarHBondContact NZ-OE1 3.3Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.45Å; E222-E225 PolarHBondContact O-N 3.27Å; E223-E225 PolarHBondContact O-N 3.21Å; E225-E228 PolarHBondContact O-N 3.47Å; E225-A229 WeakPolarHBondContact O-CB 3.38Å; E225-A229 PolarHBondContact O-N 3.5Å
226Q94.1Very high94.3Very high126 Ų126106.6 Ų106.659%0.58949%0.492SS*.Hα-helixtrans-65.7-44176.4-72.4-63.6-27.400111.9E222 E223 Q224 E228 A229 I230E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.26Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 2.93Å; E223-Q226 PolarHBondContact O-N 3.48Å; Q224-Q226 VanDerWaalsContact C-N 3.35Å; Q224-Q226 PolarHBondContact O-N 3.34Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.47Å; Q226-A229 WeakPolarHBondContact O-CB 3.4Å; Q226-A229 PolarHBondContact O-N 2.83Å; Q226-I230 WeakPolarHBondContact O-CG1 3.43Å; Q226-I230 PolarHBondContact O-N 2.91Å
227K95.7Very high94.4Very high119 Ų119105.4 Ų105.452%0.51749%0.491SS..Hα-helixtrans-58.6-47.2176.5-178.6179.8177.8-178.70111.1E223 Q224 A229 I230 I231E223-K227 WeakPolarHBondContact O-CB 3.3Å; E223-K227 PolarHBondContact O-N 3.35Å; Q224-K227 PolarHBondContact O-N 2.88Å; K227-A229 VanDerWaalsContact C-N 3.34Å; K227-A229 PolarHBondContact O-N 3.25Å; K227-I230 PolarHBondContact O-N 3.49Å; K227-I231 HydrophobicContact CG-CD1 3.97Å; K227-I231 VanDerWaalsContact O-CG1 3.3Å; K227-I231 WeakPolarHBondContact O-CG1 3.46Å; K227-I231 PolarHBondContact O-N 3.19Å
228E96Very high94.5Very high74 Ų74103.9 Ų103.935%0.34649%0.486SS..Hα-helixtrans-63.1-39.8176.7-73.2176.5-16400112.4Q224 E225 Q226 I230 I231 R232Q224-E228 PolarHBondContact NE2-OE1 3.33Å; Q224-E228 WeakPolarHBondContact O-CG 3.39Å; Q224-E228 PolarHBondContact O-N 3.07Å; E225-E228 PolarHBondContact O-N 3.47Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.47Å; E228-I230 VanDerWaalsContact C-N 3.33Å; E228-I230 PolarHBondContact O-N 2.87Å; E228-I231 PolarHBondContact O-N 2.96Å; E228-R232 WeakPolarHBondContact O-CB 3.39Å; E228-R232 WeakPolarHBondContact O-CG 3.33Å; E228-R232 PolarHBondContact O-N 3.17Å; E228-R232 IonicContact OE2-NH1 3.77Å; E228-R232 PolarHBondContact OE2-NH1 3.33Å
229A94.9Very high94.6Very high34 Ų34105.7 Ų105.728%0.28149%0.493SS..Hα-helixtrans-61.2-41.7175.600000112E225 Q226 K227 R233E225-A229 WeakPolarHBondContact O-CB 3.38Å; E225-A229 PolarHBondContact O-N 3.5Å; Q226-A229 WeakPolarHBondContact O-CB 3.4Å; Q226-A229 PolarHBondContact O-N 2.83Å; K227-A229 VanDerWaalsContact C-N 3.34Å; K227-A229 PolarHBondContact O-N 3.25Å; A229-R233 VanDerWaalsContact O-CG 3.31Å; A229-R233 WeakPolarHBondContact O-CG 3.3Å; A229-R233 PolarHBondContact O-N 3.2Å
230I96.3Very high94.7Very high105 Ų105109.7 Ų109.754%0.53850%0.502SS..Hα-helixtrans-64.8-46.6176.1-67.5167.1000110.8Q226 K227 E228 R232 R233 Y234Q226-I230 WeakPolarHBondContact O-CG1 3.43Å; Q226-I230 PolarHBondContact O-N 2.91Å; K227-I230 PolarHBondContact O-N 3.49Å; E228-I230 VanDerWaalsContact C-N 3.33Å; E228-I230 PolarHBondContact O-N 2.87Å; I230-R232 PolarHBondContact O-N 3.33Å; I230-R233 PolarHBondContact O-N 2.97Å; I230-Y234 PolarHBondContact O-N 3.22Å
231I95.5Very high94.6Very high76 Ų76110.2 Ų110.239%0.3950%0.504SS..Hα-helixtrans-57.9-50.5178.3-69.4166.6000110K227 E228 R233 Y234 E235K227-I231 HydrophobicContact CG-CD1 3.97Å; K227-I231 VanDerWaalsContact O-CG1 3.3Å; K227-I231 WeakPolarHBondContact O-CG1 3.46Å; K227-I231 PolarHBondContact O-N 3.19Å; E228-I231 PolarHBondContact O-N 2.96Å; I231-R233 VanDerWaalsContact C-N 3.33Å; I231-R233 PolarHBondContact O-N 3.41Å; I231-Y234 PolarHBondContact O-N 3.11Å; I231-Y234 VanDerWaalsContact O-N 3.1Å; I231-E235 HydrophobicContact CG2-CG 4.29Å; I231-E235 WeakPolarHBondContact O-CG 3.17Å; I231-E235 PolarHBondContact O-N 3.07Å
232R95.4Very high94.4Very high131 Ų131109.2 Ų109.249%0.49450%0.501SS..Hα-helixtrans-57-44.7178.2-74.7-174.1-71.5-107.80.1112E228 I230 Y234 E235 V236E228-R232 WeakPolarHBondContact O-CB 3.39Å; E228-R232 WeakPolarHBondContact O-CG 3.33Å; E228-R232 PolarHBondContact O-N 3.17Å; E228-R232 IonicContact OE2-NH1 3.77Å; E228-R232 PolarHBondContact OE2-NH1 3.33Å; I230-R232 PolarHBondContact O-N 3.33Å; R232-Y234 VanDerWaalsContact C-N 3.33Å; R232-Y234 PolarHBondContact O-N 3.46Å; R232-E235 PolarHBondContact O-N 2.98Å; R232-V236 WeakPolarHBondContact O-CG2 3.45Å; R232-V236 PolarHBondContact O-N 3.28Å
233R95.6Very high94.3Very high192 Ų192110.5 Ų110.573%0.72551%0.507SS*.Hα-helixtrans-62-40.9177.1-75.2174.365.7-173.12112.1A229 I230 I231 C237A229-R233 VanDerWaalsContact O-CG 3.31Å; A229-R233 WeakPolarHBondContact O-CG 3.3Å; A229-R233 PolarHBondContact O-N 3.2Å; I230-R233 PolarHBondContact O-N 2.97Å; I231-R233 VanDerWaalsContact C-N 3.33Å; I231-R233 PolarHBondContact O-N 3.41Å; R233-C237 WeakPolarHBondContact O-CB 3.38Å; R233-C237 PolarHBondContact O-N 3.46Å; R233-C237 VanDerWaalsContact O-N 3.08Å
234Y96.2Very high94Very high171 Ų171106.5 Ų106.567%0.67150%0.497SS*.Hα-helixtrans-67.7-41.2178-168.5-93.4000111.7I230 I231 R232 C237 R238I230-Y234 PolarHBondContact O-N 3.22Å; I231-Y234 PolarHBondContact O-N 3.11Å; I231-Y234 VanDerWaalsContact O-N 3.1Å; R232-Y234 VanDerWaalsContact C-N 3.33Å; R232-Y234 PolarHBondContact O-N 3.46Å; Y234-C237 PolarHBondContact O-N 2.99Å; Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 2.76Å
235E95.5Very high93.5Very high82 Ų82108.5 Ų108.538%0.38351%0.509SS..Hα-helixtrans-61.8-45.1176.8-73.7175.6164.600112.2I231 R232 C237 R238 Q239I231-E235 HydrophobicContact CG2-CG 4.29Å; I231-E235 WeakPolarHBondContact O-CG 3.17Å; I231-E235 PolarHBondContact O-N 3.07Å; R232-E235 PolarHBondContact O-N 2.98Å; E235-C237 PolarHBondContact O-N 3.38Å; E235-R238 PolarHBondContact O-N 3.49Å; E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 2.97Å
236V95.1Very high92.9Very high66 Ų66111.4 Ų111.440%0.452%0.524SS..Hα-helixtrans-61.6-44.3175.6171.40000111R232 R238 Q239 R240R232-V236 WeakPolarHBondContact O-CG2 3.45Å; R232-V236 PolarHBondContact O-N 3.28Å; V236-R238 VanDerWaalsContact C-N 3.34Å; V236-R238 PolarHBondContact O-N 3.04Å; V236-Q239 PolarHBondContact O-N 3.1Å; V236-R240 WeakPolarHBondContact O-CG 3.33Å; V236-R240 PolarHBondContact O-N 3.41Å
237C93.2Very high92.1Very high82 Ų82108.9 Ų108.955%0.55453%0.525SS*.Hα-helixtrans-62-43.7177-170.10000111.5R233 Y234 E235 Q239 R240 L241R233-C237 WeakPolarHBondContact O-CB 3.38Å; R233-C237 PolarHBondContact O-N 3.46Å; R233-C237 VanDerWaalsContact O-N 3.08Å; Y234-C237 PolarHBondContact O-N 2.99Å; E235-C237 PolarHBondContact O-N 3.38Å; C237-Q239 PolarHBondContact O-N 2.67Å; C237-R240 PolarHBondContact O-N 3.15Å; C237-L241 WeakPolarHBondContact O-CB 3.24Å; C237-L241 PolarHBondContact O-N 3.44Å
238R93.2Very high91.1Very high124 Ų124109.4 Ų109.447%0.46854%0.537SS..Hα-helixtrans-61.5-43.9177.1-175.4-179.667.3-178-3.5111.9Y234 E235 V236 L241 Q242Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 2.76Å; E235-R238 PolarHBondContact O-N 3.49Å; V236-R238 VanDerWaalsContact C-N 3.34Å; V236-R238 PolarHBondContact O-N 3.04Å; R238-L241 PolarHBondContact O-N 2.91Å; R238-Q242 WeakPolarHBondContact O-CG 3.46Å; R238-Q242 PolarHBondContact O-N 2.95Å
239Q93.5Very high89.4Confident104 Ų104108.7 Ų108.749%0.48655%0.55SS.*Hα-helixtrans-61-48.9176.8-75.9172.5-5.900111.2E235 V236 C237 L241 Q242 E243E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 2.97Å; V236-Q239 PolarHBondContact O-N 3.1Å; C237-Q239 PolarHBondContact O-N 2.67Å; Q239-L241 VanDerWaalsContact C-N 3.28Å; Q239-L241 PolarHBondContact O-N 3.24Å; Q239-Q242 WeakPolarHBondContact O-CB 3.42Å; Q239-Q242 PolarHBondContact O-N 3.05Å; Q239-Q242 VanDerWaalsContact O-N 3.1Å; Q239-E243 WeakPolarHBondContact O-CG 3.37Å; Q239-E243 PolarHBondContact O-N 3.27Å
240R92.1Very high87.5Confident172 Ų172111.2 Ų111.265%0.64957%0.566SS**Hα-helixtrans-58.7-39.4176.7-71.4178.3178.6-172.9-0.8112.6V236 C237 A244V236-R240 WeakPolarHBondContact O-CG 3.33Å; V236-R240 PolarHBondContact O-N 3.41Å; C237-R240 PolarHBondContact O-N 3.15Å; R240-A244 WeakPolarHBondContact O-CB 3.33Å; R240-A244 PolarHBondContact O-N 3.37Å
241L91.5Very high85.5Confident112 Ų112112.3 Ų112.359%0.58658%0.579SS**Hα-helixtrans-65.7-42.2176.5-172.267.4000111.5C237 R238 Q239 A244 M245C237-L241 WeakPolarHBondContact O-CB 3.24Å; C237-L241 PolarHBondContact O-N 3.44Å; R238-L241 PolarHBondContact O-N 2.91Å; Q239-L241 VanDerWaalsContact C-N 3.28Å; Q239-L241 PolarHBondContact O-N 3.24Å; L241-A244 PolarHBondContact O-N 3.1Å; L241-M245 VanDerWaalsContact O-CG 3.3Å; L241-M245 WeakPolarHBondContact O-CG 3.43Å; L241-M245 PolarHBondContact O-N 2.9Å
242Q91.7Very high83Confident105 Ų105118 Ų11849%0.49163%0.626SS.*Hα-helixtrans-64-42.7176.9-73.9173.3-25.200112.1R238 Q239 M245 M246R238-Q242 WeakPolarHBondContact O-CG 3.46Å; R238-Q242 PolarHBondContact O-N 2.95Å; Q239-Q242 WeakPolarHBondContact O-CB 3.42Å; Q239-Q242 PolarHBondContact O-N 3.05Å; Q239-Q242 VanDerWaalsContact O-N 3.1Å; Q242-M245 PolarHBondContact O-N 3.02Å; Q242-M246 VanDerWaalsContact O-CG 3.24Å; Q242-M246 WeakPolarHBondContact O-CG 3.34Å; Q242-M246 PolarHBondContact O-N 3.4Å
243E90Very high82.4Confident130 Ų130117.4 Ų117.461%0.60763%0.633SS**Hα-helixtrans-59.9-45.5174.5-72.2170.4-179.100111.5Q239 M245 M246 A247Q239-E243 WeakPolarHBondContact O-CG 3.37Å; Q239-E243 PolarHBondContact O-N 3.27Å; E243-M245 VanDerWaalsContact C-N 3.34Å; E243-M245 PolarHBondContact O-N 2.9Å; E243-M246 PolarHBondContact O-N 2.91Å; E243-A247 WeakPolarHBondContact O-CB 3.35Å; E243-A247 PolarHBondContact O-N 2.67Å
244A87.9Confident81.7Confident53 Ų53113.4 Ų113.444%0.43863%0.628SS.*Hα-helixtrans-62.3-39.9176.700000112.4R240 L241 A247 V248R240-A244 WeakPolarHBondContact O-CB 3.33Å; R240-A244 PolarHBondContact O-N 3.37Å; L241-A244 PolarHBondContact O-N 3.1Å; A244-A247 PolarHBondContact O-N 3Å; A244-V248 WeakPolarHBondContact O-CG2 3.33Å; A244-V248 PolarHBondContact O-N 2.96Å
245M84.3Confident80.9Confident132 Ų132110.2 Ų110.265%0.6563%0.626SS**Hα-helixtrans-65-40.1176.1-71.5179.972.900112.3L241 Q242 E243 V248 G249L241-M245 VanDerWaalsContact O-CG 3.3Å; L241-M245 WeakPolarHBondContact O-CG 3.43Å; L241-M245 PolarHBondContact O-N 2.9Å; Q242-M245 PolarHBondContact O-N 3.02Å; E243-M245 VanDerWaalsContact C-N 3.34Å; E243-M245 PolarHBondContact O-N 2.9Å; M245-V248 PolarHBondContact O-N 2.99Å; M245-G249 PolarHBondContact O-N 3.25Å
246M83.6Confident80.1Confident150 Ų150111.9 Ų111.974%0.73964%0.64SS**Hα-helixtrans-68.1-37.4177.3-67.8-102-79.400112Q242 E243 V248 G249 S250Q242-M246 VanDerWaalsContact O-CG 3.24Å; Q242-M246 WeakPolarHBondContact O-CG 3.34Å; Q242-M246 PolarHBondContact O-N 3.4Å; E243-M246 PolarHBondContact O-N 2.91Å; M246-V248 VanDerWaalsContact C-N 3.34Å; M246-V248 PolarHBondContact O-N 2.97Å; M246-G249 PolarHBondContact O-N 3Å; M246-S250 PolarHBondContact O-OG 3.45Å
247A76.8Confident79.1Confident73 Ų73114.8 Ų114.860%0.60366%0.655SS**Hα-helixtrans-65.8-34.3176.600000112.8E243 A244E243-A247 WeakPolarHBondContact O-CB 3.35Å; E243-A247 PolarHBondContact O-N 2.67Å; A244-A247 PolarHBondContact O-N 3Å
248V74Confident78.2Confident129 Ų129116.9 Ų116.978%0.78266%0.661SS**Hα-helixtrans-77.3-24.1176.9174.40000112.3A244 M245 M246A244-V248 WeakPolarHBondContact O-CG2 3.33Å; A244-V248 PolarHBondContact O-N 2.96Å; M245-V248 PolarHBondContact O-N 2.99Å; M246-V248 VanDerWaalsContact C-N 3.34Å; M246-V248 PolarHBondContact O-N 2.97Å
249G61.3Low77.1Confident60 Ų60116.4 Ų116.462%0.61968%0.675SS**THydrogen-bonded Turntrans-881.6-178.600000116.1M245 M246 P251M245-G249 PolarHBondContact O-N 3.25Å; M246-G249 PolarHBondContact O-N 3Å; G249-P251 WeakPolarHBondContact O-CD 3.38Å
250S54.3Low75.8Confident87 Ų87117.4 Ų117.461%0.60869%0.69SS**  trans-90.8106.3177.1-59.10000109.6M246M246-S250 PolarHBondContact O-OG 3.45Å
251P54.7Low74.5Confident127 Ų127112.8 Ų112.883%0.82569%0.693SS**  trans-71.5142.3176.8-4.722.7000109.7G249G249-P251 WeakPolarHBondContact O-CD 3.38Å
252S43.8Very low72.9Confident196 Ų196112.9 Ų112.9100%1.37170%0.703SS**  trans-66.90162.9-59.10000111.7

Retrieved 252 of 252 residues in 41.3 ms (Link to these results)