A0A087YA42_POEFO Loading...

Zgc:171929

AlphaFold DB , UniProt , Accession A0A087YA42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M42.3Very low40Very low224 Ų224154.1 Ų154.1100%1.10381%0.81SS**  088.20-88.9-71.7179.500103.8
2D29.3Very low39.6Very low145 Ų145153.3 Ų153.378%0.77581%0.807SS**  trans-131.3124.8-160.8-65.7-73.8000111.5T4D2-T4 PolarHBondContact O-N 3.04Å
3L45.6Very low39.7Very low169 Ų169155.8 Ų155.889%0.88581%0.807SS**  trans-74.380-169.2-71.1155.7000112.2
4T47.3Very low39.5Very low112 Ų112153.3 Ų153.369%0.68781%0.808SS**  trans-114.86.3169.452.20000113.9D2D2-T4 PolarHBondContact O-N 3.04Å
5W40.1Very low39.1Very low234 Ų234156.7 Ų156.789%0.88681%0.814SS**SBendtrans-94.50.8-175-95.664.9000115.9
6L38.2Very low38.9Very low138 Ų138156.7 Ų156.772%0.72381%0.814SS**SBendtrans-104.84.7-175-107120000116.2
7S34.8Very low38.5Very low104 Ų104159.9 Ų159.973%0.72782%0.82SS**SBendtrans-89.4-5.3178.155.30000115.5
8C37.9Very low38.3Very low108 Ų108156.2 Ų156.273%0.7381%0.81SS**SBendtrans-99.30.7-176.8-84.50000115.8
9L39.3Very low37.9Very low140 Ų140159.9 Ų159.973%0.73382%0.815SS**SBendtrans-90.53.1-175.5-80.4168.7000115.6
10I42.8Very low37.6Very low152 Ų152162.3 Ų162.378%0.77982%0.819SS**SBendtrans-105.7-11.4-177.5-60.6-178.1000113.8
11L42.5Very low37.2Very low169 Ų169159.5 Ų159.589%0.88582%0.815SS**SBendtrans-103.85.5-179.8-70.6174.5000116
12N35.5Very low36.8Very low144 Ų144155.4 Ų155.477%0.7780%0.802SS**SBendtrans-115.741.3-176.4-116.3-32.4000113.9
13K40.1Very low36.9Very low187 Ų187154.4 Ų154.481%0.81380%0.802SS**SBendtrans-118.61.8174.7-89.1-171.4176.6-178.80115.6
14C37.7Very low36.8Very low120 Ų120155 Ų15581%0.81180%0.8SS**SBendtrans-102.5-0.9-171.5-74.20000117.8
15F32.9Very low36.2Very low205 Ų205157 Ų15790%0.89981%0.807SS**SBendtrans-12824-178.9-98.7-86.8000115.2
16L35.3Very low35.9Very low156 Ų156150.7 Ų150.782%0.81779%0.794SS**SBendtrans-105.518.4-177.5-95.3161.9000114.8
17K33.3Very low35.9Very low212 Ų212153.2 Ų153.292%0.92280%0.804SS**SBendtrans-134.311.6-172.4-91.7-171.7178.1-175.90119
18S33.7Very low36Very low92 Ų92156.5 Ų156.564%0.64381%0.808SS**SBendtrans-121.4129167.567.80000110.5
19Y31.1Very low35.9Very low228 Ų228160 Ų16089%0.89481%0.806SS**  trans91.957.3-178.9-72.8-92.3000116.7
20F32.6Very low36Very low206 Ų206161.3 Ų161.390%0.90481%0.812SS**  trans-95.9152.6142.4-132.2-98.4000109.4
21S29.7Very low35.9Very low104 Ų104159.5 Ų159.573%0.72780%0.803SS**  trans7093.8174.270.10000119.9
22V32.1Very low35.5Very low138 Ų138159.8 Ų159.884%0.83680%0.797SS**  trans-141.4132.9130.2-177.40000108.3
23T33.3Very low35.4Very low125 Ų125160 Ų16077%0.76780%0.798SS**  trans-66.1175178.440.60000113.2
24E41.9Very low35.3Very low180 Ų180158.1 Ų158.184%0.84179%0.792SS**SBendtrans-27.9146.4179.9-63.1171.4146.400117.3
25N35.2Very low35.2Very low156 Ų156159.6 Ų159.683%0.83479%0.792SS**  trans7871173.1-61.2-39.8000118.3
26T33.3Very low35.4Very low100 Ų100155.4 Ų155.461%0.61378%0.778SS**  trans-153.583150.844.20000112.1E28T26-E28 PolarHBondContact O-N 3.44Å; T26-E28 VanDerWaalsContact O-N 3.15Å
27M39.7Very low35.1Very low192 Ų192156.2 Ų156.295%0.94678%0.777SS**THydrogen-bonded Turntrans-69.33.7167.4-91.7-76.2-128.100113.9
28E35.4Very low35Very low173 Ų173154.6 Ų154.681%0.80877%0.773SS**THydrogen-bonded Turntrans-121.7-8-167.7-65.1-133.9138.700117.5T26T26-E28 PolarHBondContact O-N 3.44Å; T26-E28 VanDerWaalsContact O-N 3.15Å
29R36.3Very low34.8Very low182 Ų182155.8 Ų155.869%0.68778%0.778SS**SBendtrans-103.25.9-169.1-68.5-174.987.9162.14.2117.9
30I41.7Very low34.7Very low166 Ų166156.8 Ų156.885%0.85178%0.781SS**SBendtrans-117.742174.3-40.1179.5000111.3
31I41Very low34.7Very low115 Ų115153.5 Ų153.559%0.5978%0.778SS**SBendtrans-129.274.4157.8-48.8174.2000105.1N33 K151I31-N33 PolarHBondContact O-N 3.25Å; I31-N33 VanDerWaalsContact O-N 3.15Å; I31-K151 VanDerWaalsContact CD1-NZ 3.28Å
32F33.4Very low34.6Very low175 Ų175151.7 Ų151.777%0.76878%0.776SS**  trans-70.1117.1174.1-107.3-86.5000109.3H34F32-H34 PolarHBondContact O-N 3.15Å
33N34.6Very low34.5Very low149 Ų149153.3 Ų153.380%0.79778%0.779SS**  trans-26.9125.6142.7-80-24.6000110.7I31I31-N33 PolarHBondContact O-N 3.25Å; I31-N33 VanDerWaalsContact O-N 3.15Å
34H37.2Very low34.2Very low147 Ų147155.3 Ų155.368%0.68178%0.78SS**  trans-129.4101.4146.7-160.9-58.8000106.9F32 I36F32-H34 PolarHBondContact O-N 3.15Å; H34-I36 VanDerWaalsContact C-N 3.26Å; H34-I36 HydrophobicContact CB-CG1 4.43Å; H34-I36 VanDerWaalsContact CE1-CG1 3.45Å; H34-I36 WeakPolarHBondContact CE1-CG1 2.97Å; H34-I36 WeakPolarHBondContact ND1-CG1 3.45Å; H34-I36 PolarHBondContact ND1-N 3.49Å; H34-I36 PolarHBondContact O-N 2.97Å
35D35.7Very low33.6Very low150 Ų150154.5 Ų154.580%0.80278%0.78SS**  trans-50.593.2150.9-129-44.2000107.3
36I35.9Very low33.4Very low118 Ų118154.1 Ų154.161%0.60577%0.774SS**  trans-95.597.1162.6-64.3-172.8000105.1H34 Q38H34-I36 VanDerWaalsContact C-N 3.26Å; H34-I36 HydrophobicContact CB-CG1 4.43Å; H34-I36 VanDerWaalsContact CE1-CG1 3.45Å; H34-I36 WeakPolarHBondContact CE1-CG1 2.97Å; H34-I36 WeakPolarHBondContact ND1-CG1 3.45Å; H34-I36 PolarHBondContact ND1-N 3.49Å; H34-I36 PolarHBondContact O-N 2.97Å; I36-Q38 PolarHBondContact O-N 2.84Å; I36-Q38 VanDerWaalsContact O-N 3.15Å
37Q30.2Very low33.2Very low172 Ų172158.8 Ų158.880%0.80479%0.788SS**  trans-35.8116.6150.5-71.1177.8-30.300108.8
38Q30.3Very low32.7Very low178 Ų178156.3 Ų156.383%0.83278%0.778SS**  trans-62.9134.9165.8-64.2-167.713.100108.3I36 R40I36-Q38 PolarHBondContact O-N 2.84Å; I36-Q38 VanDerWaalsContact O-N 3.15Å; Q38-R40 PolarHBondContact O-N 3.37Å
39P29.1Very low32.4Very low117 Ų117154.9 Ų154.976%0.7678%0.78SS**  trans-64.5133.7176.424.2-30.8000110.6T41P39-T41 PolarHBondContact O-N 3.48Å
40R30.5Very low31.9Very low249 Ų249149 Ų14994%0.9478%0.777SS**  trans-57.7115.1167.5-70174.1173.2153.3-3.1109.1Q38Q38-R40 PolarHBondContact O-N 3.37Å
41T32.8Very low31.3Very low138 Ų138153.4 Ų153.485%0.84778%0.783SS**  trans-99.8114.1149.447.60000106.9P39P39-T41 PolarHBondContact O-N 3.48Å
42G27.6Very low30.6Very low66 Ų66151.1 Ų151.168%0.6879%0.787SS**  trans-63.413817900000110.7
43N29.5Very low30.4Very low171 Ų171149.3 Ų149.391%0.91479%0.791SS**  trans-136.7120.2143.2-84.1-30000107
44H27.5Very low30Very low168 Ų168148.4 Ų148.478%0.77879%0.791SS**  trans-71122.4-178.4174.7-91.4000110.4
45L28.9Very low29.7Very low162 Ų162147.5 Ų147.585%0.84880%0.795SS**  trans-159.7119.4137.2-135.879.7000109.2
46E30Very low29.3Very low149 Ų149148.6 Ų148.670%0.69680%0.796SS**  trans-65.9143.3175.3-62.6-156.312900112.2
47Q30.4Very low28.9Very low198 Ų198149.1 Ų149.193%0.92580%0.804SS**  trans-156.5129.1132-120.5171.8-0.900111.4
48I28.3Very low28.9Very low140 Ų140151.3 Ų151.372%0.71881%0.805SS**  trans-84.4138.6-179-61.5161.8000108.7
49V29.7Very low29Very low142 Ų142148.3 Ų148.386%0.86180%0.799SS**  -179.4127.7128.1165.80000108.3
50G25.8Very low29.1Very low60 Ų60148.5 Ų148.562%0.61980%0.8SS**  trans-105.3-170.5179.900000115.2
51R29.7Very low29.2Very low258 Ų258143 Ų14397%0.97479%0.793SS**  trans82.5121.4177.2-55.9175.7172.2176.7-2.9112.7
52G25.9Very low29Very low67 Ų67142.1 Ų142.169%0.69179%0.793SS**  cis10910922.900000108.5
53T28.9Very low29.2Very low137 Ų137144.5 Ų144.584%0.8480%0.799SS**  trans173.5123.6152.632.20000113.1
54T25.8Very low29.2Very low130 Ų130143.4 Ų143.480%0.79880%0.799SS**  trans33.4124.313851.50000124
55V31.1Very low29.2Very low127 Ų127139.2 Ų139.277%0.7780%0.801SS**  trans-12.4136.3148.4-169.90000118.5
56E27.3Very low29.2Very low174 Ų174137.5 Ų137.581%0.81380%0.803SS**  trans-150.3123.5131.7-75.4-143161.700110.9
57V28.2Very low29.1Very low128 Ų128133.8 Ų133.878%0.77680%0.804SS**  trans-100.4113.9170.61740000107.3
58R28.6Very low29.1Very low219 Ų219131.9 Ų131.983%0.82680%0.801SS**  trans-96.4113.3177.6-170.8172.4-71.5171.4-1.3110.3
59V32.6Very low29.1Very low115 Ų115134.5 Ų134.570%0.69781%0.81SS**PPolyproline II helixtrans-91132.6168.6-1640000108.1
60P32.2Very low29Very low121 Ų121131.6 Ų131.679%0.78681%0.808SS**PPolyproline II helixtrans-86.9118164.7-7.525000110.4
61V32.2Very low29.1Very low132 Ų132134.2 Ų134.280%0.882%0.817SS**PPolyproline II helixtrans-74.1142.1166.4-78.10000110.7
62S28.5Very low29.1Very low121 Ų121129.5 Ų129.585%0.84681%0.806SS**PPolyproline II helixtrans-70.7135.6166.647.20000111
63S31.7Very low29.2Very low115 Ų115133.5 Ų133.580%0.80481%0.81SS**  trans-135.2125.1163.350.90000111.1
64T29.6Very low29.3Very low148 Ų148137.6 Ų137.691%0.90881%0.81SS**  trans-55.5147.6169.246.10000113.5
65G28.2Very low29.3Very low81 Ų81135.9 Ų135.984%0.83580%0.804SS**  trans-165.2106.3165.800000110.5
66S28.8Very low29.2Very low125 Ų125141.6 Ų141.687%0.87481%0.812SS**  trans-99.4152.3-179.847.60000112.1
67G28.1Very low29.4Very low71 Ų71138.6 Ų138.673%0.73281%0.81SS**  trans97.5140.5159.300000115
68D28.8Very low29.8Very low158 Ų158141.9 Ų141.985%0.84581%0.813SS**  cis-172.5166.2-11.6-126.6-21.2000107.7
69Q29.9Very low29.8Very low196 Ų196140.7 Ų140.792%0.91682%0.82SS**  trans105.6125.1160-58-178.260.400119.3
70G27.2Very low30.2Very low80 Ų80138.7 Ų138.783%0.82582%0.822SS**  trans153.363.5163.400000114.1
71S28.2Very low31Very low115 Ų115138.4 Ų138.480%0.80482%0.821SS**  trans-67.813116944.70000112.3
72E28.5Very low31.6Very low159 Ų159142.5 Ų142.574%0.74383%0.828SS**  trans-134.6125.4150.3-160.4176.2159.600110.1R74E72-R74 IonicContact OE1-NE 3.58Å; E72-R74 IonicContact OE1-NH2 3.7Å
73I29.1Very low31.6Very low152 Ų152140.3 Ų140.378%0.77982%0.824SS**  trans-101.9124.8-174.1-42.5164.5000105.5
74R30.6Very low31.8Very low222 Ų222144.8 Ų144.884%0.83883%0.829SS**  trans-131.1109.2159.2-73.2-167.7-176.4-155.30.7110.3E72E72-R74 IonicContact OE1-NE 3.58Å; E72-R74 IonicContact OE1-NH2 3.7Å
75S26.4Very low32.3Very low94 Ų94143.6 Ų143.666%0.65783%0.825SS**  trans-65.8145166.6177.80000110.6
76W28.8Very low33Very low248 Ų248144.1 Ų144.194%0.93982%0.821SS**  -158.8121.1125.7-85.6-28.6000112.6
77S31.9Very low33.7Very low110 Ų110144.9 Ų144.977%0.76982%0.82SS**  52.8133.9126.2-52.10000122.6
78K35.6Very low34.4Very low197 Ų197150.2 Ų150.286%0.85783%0.831SS**  trans-72.6173.7179.7-127.3171.8-177.4177.70114
79M29.3Very low34.7Very low194 Ų194146.9 Ų146.996%0.95683%0.826SS**  trans96.4134166.6-50.4176.7-154.100113.1
80G39.8Very low35.2Very low73 Ų73143.3 Ų143.375%0.75382%0.822SS**  cis171.3171.97.100000107.5
81P48.8Very low35.9Very low116 Ų116146.3 Ų146.375%0.75382%0.824SS**  trans-94.7156.9-161.436.4-32.8000115.2
82F45Very low36.5Very low218 Ų218146 Ų14696%0.95682%0.822SS**  trans82.2126.6172.6-68-84.6000119.7
83G29.9Very low37.4Very low74 Ų74150 Ų15076%0.76383%0.83SS**  trans149.699.5160.700000114.3
84F35.8Very low38.2Very low209 Ų209147.1 Ų147.192%0.91783%0.829SS**  trans-68.2158.1163.6-78.4-87.5000110.5
85P40.1Very low39.1Very low124 Ų124146.5 Ų146.581%0.80583%0.833SS**  -143.1159.410632.7-15.6000115.4
86A43.1Very low39.9Very low92 Ų92146.5 Ų146.576%0.7684%0.838SS**  trans-69.9145.2174.900000112.6
87T42.1Very low40.7Very low140 Ų140145.4 Ų145.486%0.85983%0.834SS**  trans-149.8129.4145.730.80000110.4
88L44.3Very low41.1Very low184 Ų184145.5 Ų145.596%0.96383%0.832SS**  trans-74.9119.6167.3-71.4162.8000108.2
89A34.9Very low41.2Very low88 Ų88147 Ų14773%0.72783%0.832SS**  trans-129104.3166.300000109.6V91A89-V91 PolarHBondContact O-N 3.01Å
90S39.3Very low41.9Very low121 Ų121142.1 Ų142.185%0.84682%0.818SS**PPolyproline II helixtrans-55.1116.2169.542.50000111.8
91V41.9Very low42.4Very low142 Ų142144.4 Ų144.486%0.86182%0.817SS**PPolyproline II helixtrans-97123.2165.2-177.10000109.3A89A89-V91 PolarHBondContact O-N 3.01Å
92S40.2Very low42.7Very low109 Ų109143.5 Ų143.576%0.76281%0.811SS**PPolyproline II helixtrans-48.9135.5-177.2-39.20000113.9A94S92-A94 PolarHBondContact O-N 3.43Å
93R47.9Very low42.7Very low243 Ų243139.1 Ų139.192%0.91780%0.802SS**  trans-67.395.4175-170.2178.5-75.1174.6-3.3109.9K95R93-K95 PolarHBondContact O-N 3.15Å
94A45.5Very low43.8Very low92 Ų92140.7 Ų140.776%0.7680%0.801SS**  trans-60.5124.5163.100000108.2S92 A96S92-A94 PolarHBondContact O-N 3.43Å; A94-A96 PolarHBondContact O-N 3.3Å; A94-A96 VanDerWaalsContact O-N 3.1Å
95K49.9Very low45Very low208 Ų208132.7 Ų132.790%0.90478%0.778SS**  trans-49.2119.8177.9-79.6174.5176.8175.20109.2R93 R97R93-K95 PolarHBondContact O-N 3.15Å; K95-R97 PolarHBondContact O-N 3.14Å
96A44.4Very low46.4Very low94 Ų94132.1 Ų132.178%0.77777%0.768SS**  trans-56114.1173.100000108.6A94A94-A96 PolarHBondContact O-N 3.3Å; A94-A96 VanDerWaalsContact O-N 3.1Å
97R44.2Very low48.2Very low225 Ų225131.2 Ų131.285%0.84975%0.747SS**  trans-60128.8158.2-142.5172.4-170.7-97.93105.5K95 R99K95-R97 PolarHBondContact O-N 3.14Å; R97-R99 PolarHBondContact O-N 2.82Å
98P40.8Very low50.2Low113 Ų113126.6 Ų126.673%0.73473%0.727SS**  trans-57.1122.4175.722.1-30.2000107.6S100P98-S100 PolarHBondContact O-N 3.29Å
99R37.3Very low52.1Low227 Ų227117.9 Ų117.986%0.85768%0.682SS**  trans-7183.4170.3-174.5-178.7-105.1-142.8-3106.2R97 T101R97-R99 PolarHBondContact O-N 2.82Å; R99-T101 HydrophobicContact CG-CG2 4.09Å; R99-T101 PolarHBondContact O-N 3.22Å; R99-T101 VanDerWaalsContact O-N 3.16Å
100S45.6Very low54.4Low93 Ų93118.2 Ų118.265%0.6568%0.679SS**  trans-59.3112.1150.249.30000105.6P98 P102P98-S100 PolarHBondContact O-N 3.29Å; S100-P102 WeakPolarHBondContact O-CD 3.19Å
101T49.5Very low56.5Low120 Ų120118 Ų11874%0.73667%0.668SS**  trans-80.6103.7158.750.10000107.1R99R99-T101 HydrophobicContact CG-CG2 4.09Å; R99-T101 PolarHBondContact O-N 3.22Å; R99-T101 VanDerWaalsContact O-N 3.16Å
102P54.2Low58.6Low98 Ų98113.5 Ų113.564%0.63664%0.642SS**  trans-125.9138.9137.938.8-28.4000106.4S100S100-P102 WeakPolarHBondContact O-CD 3.19Å
103V46.1Very low60.7Low125 Ų125115.6 Ų115.676%0.75864%0.639SS**  -168.6119.460.7168.40000106.5
104S52.6Low62.4Low107 Ų107110 Ų11075%0.74862%0.621SS**SBendtrans-105.9121.2143.4-66.40000104.1D106S104-D106 PolarHBondContact O-N 3.24Å
105G60.7Low64.3Low41 Ų41111 Ų11142%0.42361%0.613SS.*  trans-60.291.3-168.100000112.8F107G105-F107 WeakPolarHBondContact O-CD2 3.25Å; G105-F107 WeakPolarHBondContact O-CE2 3.3Å
106D69.7Low65.9Low113 Ų113102.8 Ų102.860%0.60458%0.577SS**  trans-82.3119.5172.9-80.1-21.8000109S104 G108 I115S104-D106 PolarHBondContact O-N 3.24Å; D106-G108 PolarHBondContact O-N 3.48Å; D106-I115 HydrophobicContact CB-CG2 3.66Å
107F81.1Confident67.6Low73 Ų73102.7 Ų102.732%0.3257%0.568SS.*EExtended strand (participates in β ladder)trans-95.795.7-176.6-62.9-76.6000109.1G105 F116 L118 Q119 L122G105-F107 WeakPolarHBondContact O-CD2 3.25Å; G105-F107 WeakPolarHBondContact O-CE2 3.3Å; F107-F116 PolarHBondContact N-O 3.27Å; F107-F116 PolarHBondContact O-N 3.35Å; F107-L118 VanDerWaalsContact CD2-C 3.47Å; F107-Q119 HydrophobicContact CD1-CB 3.94Å; F107-Q119 HydrophobicContact CD1-CG 4.26Å; F107-Q119 HydrophobicContact CD2-CB 3.96Å; F107-Q119 HydrophobicContact CE1-CB 3.76Å; F107-Q119 HydrophobicContact CE1-CG 4.14Å; F107-Q119 HydrophobicContact CE2-CB 3.8Å; F107-Q119 HydrophobicContact CG-CB 4Å; F107-Q119 VanDerWaalsContact CG-OE1 3.23Å; F107-Q119 HydrophobicContact CZ-CB 3.69Å; F107-L122 HydrophobicContact CB-CB 3.82Å; F107-L122 HydrophobicContact CB-CD2 3.7Å; F107-L122 HydrophobicContact CB-CG 4.35Å
108G82.9Confident69.5Low42 Ų4295.5 Ų95.543%0.43355%0.547SS..EExtended strand (participates in β ladder)trans-83.7140.7179.700000113.5D106 K114 L122D106-G108 PolarHBondContact O-N 3.48Å; G108-K114 CarbonylContact C-O 2.88Å; G108-K114 WeakPolarHBondContact CA-O 3.41Å; G108-L122 WeakPolarHBondContact O-CD2 3.33Å
109C85.4Confident71.6Confident2 Ų294.6 Ų94.61%0.01453%0.532CS..  trans-79.6123.9168.9-177.60000110.8L111 C112 H113 K114 F116 L122 H125 H129C109-L111 PolarHBondContact O-N 3.17Å; C109-L111 PolarHBondContact SG-N 3.45Å; C109-C112 VanDerWaalsContact SG-SG 3.67Å; C109-H113 WeakPolarHBondContact O-CA 3.34Å; C109-H113 PolarHBondContact O-N 3.06Å; C109-K114 PolarHBondContact N-O 3.43Å; C109-F116 HydrophobicContact CB-CE2 4.45Å; C109-L122 HydrophobicContact CB-CD1 3.73Å; C109-H125 VanDerWaalsContact SG-CD2 3.55Å; C109-H125 PolarHBondContact SG-NE2 3Å; C109-H125 VanDerWaalsContact SG-NE2 3.39Å; C109-H129 PolarHBondContact SG-NE2 2.81Å
110S83Confident73.7Confident95 Ų9592 Ų9266%0.66452%0.523SS*.THydrogen-bonded Turntrans-68.2-18.1177.550.90000114.6
111L83.8Confident75.4Confident117 Ų11789.8 Ų89.861%0.61350%0.503SS*.THydrogen-bonded Turntrans-95.6-26-175.3-62.1173.7000113.8C109 H129C109-L111 PolarHBondContact O-N 3.17Å; C109-L111 PolarHBondContact SG-N 3.45Å; L111-H129 HydrophobicContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CG 3.45Å
112C86.1Confident77Confident47 Ų4784.8 Ų84.832%0.31847%0.472SS..THydrogen-bonded Turntrans-138.27.2-178.672.10000113.9C109 K114 H125C109-C112 VanDerWaalsContact SG-SG 3.67Å; C112-K114 PolarHBondContact O-N 2.84Å; C112-H125 VanDerWaalsContact SG-CE1 3.6Å; C112-H125 PolarHBondContact SG-NE2 3.3Å
113H83.4Confident78.3Confident152 Ų15283.5 Ų83.570%0.70446%0.462SS*.  trans54.617.2178-55.8-65.4000115.7C109 I115C109-H113 WeakPolarHBondContact O-CA 3.34Å; C109-H113 PolarHBondContact O-N 3.06Å; H113-I115 PolarHBondContact O-N 3.09Å
114K84.6Confident79.9Confident126 Ų12683.3 Ų83.355%0.54845%0.447SS..  trans-69.8130.3172.4-71.5-172.1-178-162.50110.4G108 C109 C112 F116G108-K114 CarbonylContact C-O 2.88Å; G108-K114 WeakPolarHBondContact CA-O 3.41Å; C109-K114 PolarHBondContact N-O 3.43Å; C112-K114 PolarHBondContact O-N 2.84Å; K114-F116 HydrophobicContact CB-CE2 3.73Å; K114-F116 HydrophobicContact CB-CZ 3.91Å; K114-F116 WeakPolarHBondContact O-CD2 3.28Å; K114-F116 WeakPolarHBondContact O-CE2 3.17Å
115I83.9Confident81.3Confident113 Ų11379.6 Ų79.658%0.57942%0.418SS*.EExtended strand (participates in β ladder)trans-95.8133.8180-56.9173.2000109.2D106 H113D106-I115 HydrophobicContact CB-CG2 3.66Å; H113-I115 PolarHBondContact O-N 3.09Å
116F83.7Confident82.2Confident35 Ų3581 Ų8115%0.15442%0.415CS..EExtended strand (participates in β ladder)trans-120.5140.6177.8-62.6-85.3000110.9F107 C109 K114 L118 M121 L122 H125F107-F116 PolarHBondContact N-O 3.27Å; F107-F116 PolarHBondContact O-N 3.35Å; C109-F116 HydrophobicContact CB-CE2 4.45Å; K114-F116 HydrophobicContact CB-CE2 3.73Å; K114-F116 HydrophobicContact CB-CZ 3.91Å; K114-F116 WeakPolarHBondContact O-CD2 3.28Å; K114-F116 WeakPolarHBondContact O-CE2 3.17Å; F116-L118 PolarHBondContact O-N 3.15Å; F116-M121 HydrophobicContact CB-CB 4.07Å; F116-M121 HydrophobicContact CD1-CB 3.96Å; F116-M121 HydrophobicContact CG-CB 4.25Å; F116-L122 HydrophobicContact CB-CB 4.34Å; F116-L122 HydrophobicContact CD2-CB 4.06Å; F116-L122 HydrophobicContact CD2-CD1 3.89Å; F116-L122 HydrophobicContact CE2-CD1 4.17Å; F116-L122 HydrophobicContact CG-CB 4.44Å; F116-H125 HydrophobicContact CE1-CB 4.14Å; F116-H125 HydrophobicContact CE2-CB 3.73Å; F116-H125 AromaticContact CE2-CD2 3.51Å; F116-H125 AromaticContact CE2-CG 3.47Å; F116-H125 VanDerWaalsContact CE2-CG 3.47Å; F116-H125 HydrophobicContact CZ-CB 3.52Å; F116-H125 AromaticContact CZ-CD2 3.78Å; F116-H125 AromaticContact CZ-CG 3.28Å; F116-H125 AromaticContact CZ-ND1 3.55Å
117P80.1Confident82.6Confident92 Ų9279 Ų7960%0.59740%0.402SS*.SBendtrans-73.5-11.6-178.830.2-36.2000113.3M121P117-M121 HydrophobicContact CG-SD 4.07Å
118L85.4Confident82.3Confident74 Ų7479.6 Ų79.639%0.38741%0.414SS..SBendtrans-141.5137.8-176.4-65.7171000110.7F107 F116 R120 M121 L122F107-L118 VanDerWaalsContact CD2-C 3.47Å; F116-L118 PolarHBondContact O-N 3.15Å; L118-R120 VanDerWaalsContact C-N 3.29Å; L118-R120 HydrophobicContact CB-CG 4.11Å; L118-R120 PolarHBondContact O-N 3.35Å; L118-M121 HydrophobicContact CB-CG 4.1Å; L118-M121 HydrophobicContact CB-SD 4.23Å; L118-M121 HydrophobicContact CD1-SD 4.2Å; L118-M121 WeakPolarHBondContact O-CB 3.36Å; L118-M121 PolarHBondContact O-N 2.98Å; L118-L122 PolarHBondContact O-N 3.3Å
119Q84.4Confident81.9Confident94 Ų9480.9 Ų80.944%0.43941%0.409SS..Hα-helixtrans-56.7-42.1179.7-178.761.2-15.600112.3F107 M121 L122 T123F107-Q119 HydrophobicContact CD1-CB 3.94Å; F107-Q119 HydrophobicContact CD1-CG 4.26Å; F107-Q119 HydrophobicContact CD2-CB 3.96Å; F107-Q119 HydrophobicContact CE1-CB 3.76Å; F107-Q119 HydrophobicContact CE1-CG 4.14Å; F107-Q119 HydrophobicContact CE2-CB 3.8Å; F107-Q119 HydrophobicContact CG-CB 4Å; F107-Q119 VanDerWaalsContact CG-OE1 3.23Å; F107-Q119 HydrophobicContact CZ-CB 3.69Å; Q119-M121 PolarHBondContact O-N 3.42Å; Q119-M121 VanDerWaalsContact O-N 3.11Å; Q119-L122 WeakPolarHBondContact O-CB 3.44Å; Q119-L122 PolarHBondContact O-N 3.03Å; Q119-T123 PolarHBondContact O-N 2.86Å; Q119-T123 PolarHBondContact O-OG1 3.37Å
120R81.1Confident81Confident172 Ų17283 Ų8365%0.64942%0.423SS*.Hα-helixtrans-56.1-31176.470.5-179.3175.285.72.4113.3L118 R124L118-R120 VanDerWaalsContact C-N 3.29Å; L118-R120 HydrophobicContact CB-CG 4.11Å; L118-R120 PolarHBondContact O-N 3.35Å; R120-R124 WeakPolarHBondContact O-CB 3.48Å; R120-R124 PolarHBondContact O-N 2.83Å; R120-R124 VanDerWaalsContact O-N 3.1Å
121M81.9Confident80.1Confident48 Ų4886.5 Ų86.524%0.23643%0.433CS..Hα-helixtrans-77.7-39.7179.2-63.5-178.975.100110.8F116 P117 L118 Q119 R124 H125F116-M121 HydrophobicContact CB-CB 4.07Å; F116-M121 HydrophobicContact CD1-CB 3.96Å; F116-M121 HydrophobicContact CG-CB 4.25Å; P117-M121 HydrophobicContact CG-SD 4.07Å; L118-M121 HydrophobicContact CB-CG 4.1Å; L118-M121 HydrophobicContact CB-SD 4.23Å; L118-M121 HydrophobicContact CD1-SD 4.2Å; L118-M121 WeakPolarHBondContact O-CB 3.36Å; L118-M121 PolarHBondContact O-N 2.98Å; Q119-M121 PolarHBondContact O-N 3.42Å; Q119-M121 VanDerWaalsContact O-N 3.11Å; M121-R124 PolarHBondContact O-N 2.92Å; M121-H125 VanDerWaalsContact O-CB 3.28Å; M121-H125 WeakPolarHBondContact O-CB 3.22Å; M121-H125 PolarHBondContact O-N 3.39Å
122L82.7Confident79.1Confident15 Ų1585.9 Ų85.98%0.07943%0.434CS..Hα-helixtrans-61.4-48.7170.4175.662.5000110.9F107 G108 C109 F116 L118 Q119 R124 H125 L126F107-L122 HydrophobicContact CB-CB 3.82Å; F107-L122 HydrophobicContact CB-CD2 3.7Å; F107-L122 HydrophobicContact CB-CG 4.35Å; G108-L122 WeakPolarHBondContact O-CD2 3.33Å; C109-L122 HydrophobicContact CB-CD1 3.73Å; F116-L122 HydrophobicContact CB-CB 4.34Å; F116-L122 HydrophobicContact CD2-CB 4.06Å; F116-L122 HydrophobicContact CD2-CD1 3.89Å; F116-L122 HydrophobicContact CE2-CD1 4.17Å; F116-L122 HydrophobicContact CG-CB 4.44Å; L118-L122 PolarHBondContact O-N 3.3Å; Q119-L122 WeakPolarHBondContact O-CB 3.44Å; Q119-L122 PolarHBondContact O-N 3.03Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.46Å; L122-H125 CarbonylContact O-C 3.37Å; L122-H125 WeakPolarHBondContact O-CA 3.38Å; L122-H125 WeakPolarHBondContact O-CB 3.44Å; L122-H125 PolarHBondContact O-N 3.27Å; L122-L126 HydrophobicContact CD1-CD2 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 4.29Å; L122-L126 HydrophobicContact CG-CG 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.1Å
123T82.2Confident78.2Confident70 Ų7089.1 Ų89.143%0.42944%0.443SS..Hα-helixtrans-57.5-42178.1-50.50000111.9Q119Q119-T123 PolarHBondContact O-N 2.86Å; Q119-T123 PolarHBondContact O-OG1 3.37Å
124R79.1Confident77.7Confident121 Ų12190.6 Ų90.646%0.45744%0.443SS..Hα-helixtrans-65.2-42.1173.3-178.8178.561.9175.20.1111.7R120 M121 L122 L126 K127R120-R124 WeakPolarHBondContact O-CB 3.48Å; R120-R124 PolarHBondContact O-N 2.83Å; R120-R124 VanDerWaalsContact O-N 3.1Å; M121-R124 PolarHBondContact O-N 2.92Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.46Å; R124-L126 VanDerWaalsContact C-N 3.35Å; R124-K127 WeakPolarHBondContact O-CB 3.45Å; R124-K127 PolarHBondContact O-N 2.86Å
125H81.8Confident77.4Confident29 Ų2987.2 Ų87.213%0.13443%0.428CS..Hα-helixtrans-63.7-38.3179.317172.9000112.5C109 C112 F116 M121 L122 K127 C128 H129C109-H125 VanDerWaalsContact SG-CD2 3.55Å; C109-H125 PolarHBondContact SG-NE2 3Å; C109-H125 VanDerWaalsContact SG-NE2 3.39Å; C112-H125 VanDerWaalsContact SG-CE1 3.6Å; C112-H125 PolarHBondContact SG-NE2 3.3Å; F116-H125 HydrophobicContact CE1-CB 4.14Å; F116-H125 HydrophobicContact CE2-CB 3.73Å; F116-H125 AromaticContact CE2-CD2 3.51Å; F116-H125 AromaticContact CE2-CG 3.47Å; F116-H125 VanDerWaalsContact CE2-CG 3.47Å; F116-H125 HydrophobicContact CZ-CB 3.52Å; F116-H125 AromaticContact CZ-CD2 3.78Å; F116-H125 AromaticContact CZ-CG 3.28Å; F116-H125 AromaticContact CZ-ND1 3.55Å; M121-H125 VanDerWaalsContact O-CB 3.28Å; M121-H125 WeakPolarHBondContact O-CB 3.22Å; M121-H125 PolarHBondContact O-N 3.39Å; L122-H125 CarbonylContact O-C 3.37Å; L122-H125 WeakPolarHBondContact O-CA 3.38Å; L122-H125 WeakPolarHBondContact O-CB 3.44Å; L122-H125 PolarHBondContact O-N 3.27Å; H125-K127 PolarHBondContact O-N 2.91Å; H125-K127 VanDerWaalsContact O-N 3.16Å; H125-C128 VanDerWaalsContact O-CB 3.22Å; H125-C128 WeakPolarHBondContact O-CB 3.38Å; H125-C128 PolarHBondContact O-N 2.99Å; H125-H129 AromaticContact CD2-NE2 3.9Å; H125-H129 AromaticContact CE1-NE2 3.7Å; H125-H129 AromaticContact NE2-CD2 3.73Å; H125-H129 AromaticContact NE2-NE2 3.05Å; H125-H129 PolarHBondContact NE2-NE2 3.38Å
126L80.4Confident77.2Confident70 Ų7085.4 Ų85.437%0.36642%0.424SS..Hα-helixtrans-59.1-27.4176.4-70.3173.3000112.5L122 R124 C128 H129 S130L122-L126 HydrophobicContact CD1-CD2 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 4.29Å; L122-L126 HydrophobicContact CG-CG 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.1Å; R124-L126 VanDerWaalsContact C-N 3.35Å; L126-C128 PolarHBondContact O-N 3.3Å; L126-H129 PolarHBondContact O-N 3.22Å; L126-H129 VanDerWaalsContact O-N 3.08Å; L126-S130 PolarHBondContact O-N 3.35Å
127K77.6Confident77.2Confident73 Ų7383.9 Ų83.932%0.31742%0.418SS..Hα-helixtrans-64.9-23172.7-55.1-179.2-179.9-179.10113.1R124 H125 H129 S130 N145R124-K127 WeakPolarHBondContact O-CB 3.45Å; R124-K127 PolarHBondContact O-N 2.86Å; H125-K127 PolarHBondContact O-N 2.91Å; H125-K127 VanDerWaalsContact O-N 3.16Å; K127-H129 VanDerWaalsContact C-N 3.27Å; K127-S130 WeakPolarHBondContact CA-OG 3.5Å; K127-S130 PolarHBondContact O-N 2.66Å; K127-S130 PolarHBondContact O-OG 2.72Å; K127-N145 HydrophobicContact CB-CB 3.86Å; K127-N145 WeakPolarHBondContact CD-O 3.4Å; K127-N145 VanDerWaalsContact O-CG 3.23Å; K127-N145 PolarHBondContact O-ND2 3.08Å; K127-N145 PolarHBondContact O-OD1 2.97Å
128C74Confident77.2Confident85 Ų8590.5 Ų90.557%0.57443%0.431SS*.Hα-helixtrans-70.9-25.1173.6-62.50000112.8H125 L126 N145H125-C128 VanDerWaalsContact O-CB 3.22Å; H125-C128 WeakPolarHBondContact O-CB 3.38Å; H125-C128 PolarHBondContact O-N 2.99Å; L126-C128 PolarHBondContact O-N 3.3Å; C128-N145 WeakPolarHBondContact CA-ND2 3.4Å
129H75.5Confident76.9Confident69 Ų6993.8 Ų93.832%0.31944%0.442SS..Hα-helixtrans-84.5-24.8173.6-63.6-63.4000112.3C109 L111 H125 L126 K127 L131C109-H129 PolarHBondContact SG-NE2 2.81Å; L111-H129 HydrophobicContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CG 3.45Å; H125-H129 AromaticContact CD2-NE2 3.9Å; H125-H129 AromaticContact CE1-NE2 3.7Å; H125-H129 AromaticContact NE2-CD2 3.73Å; H125-H129 AromaticContact NE2-NE2 3.05Å; H125-H129 PolarHBondContact NE2-NE2 3.38Å; L126-H129 PolarHBondContact O-N 3.22Å; L126-H129 VanDerWaalsContact O-N 3.08Å; K127-H129 VanDerWaalsContact C-N 3.27Å; H129-L131 PolarHBondContact O-N 3.15Å
130S66.9Low76.8Confident45 Ų4592.4 Ų92.432%0.31544%0.442SS..  trans-71.9121.817367.20000110.5L126 K127 V132L126-S130 PolarHBondContact O-N 3.35Å; K127-S130 WeakPolarHBondContact CA-OG 3.5Å; K127-S130 PolarHBondContact O-N 2.66Å; K127-S130 PolarHBondContact O-OG 2.72Å; S130-V132 PolarHBondContact O-N 3.34Å
131L62.8Low76.6Confident169 Ų16987 Ų8789%0.88544%0.44SS*.SBendtrans-67.5-11.3170.2-62.9174.2000112.4H129 K133H129-L131 PolarHBondContact O-N 3.15Å; L131-K133 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact O-N 3.1Å
132V63.6Low76.6Confident105 Ų10590.4 Ų90.464%0.63645%0.454SS*.  trans-80.288.4176.4-173.20000110.1S130 R134S130-V132 PolarHBondContact O-N 3.34Å; V132-R134 PolarHBondContact O-N 3.49Å
133K66.4Low76.4Confident115 Ų11590.3 Ų90.350%0.546%0.456SS..  trans-77.7106.2171.4-74.7158.7165.2-169.70109.9L131 H135 G143L131-K133 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact O-N 3.1Å; K133-H135 VanDerWaalsContact C-N 3.32Å; K133-H135 PolarHBondContact O-N 3.34Å; K133-G143 WeakPolarHBondContact CD-O 3.43Å; K133-G143 VanDerWaalsContact CE-O 3.28Å; K133-G143 WeakPolarHBondContact CE-O 3.3Å
134R73.1Confident76.3Confident183 Ų18388.5 Ų88.569%0.69144%0.442SS*.SBendtrans-73-22-173.8-60.9-175.9-177.5-145-1.3114.1V132 P136 F144V132-R134 PolarHBondContact O-N 3.49Å; R134-P136 VanDerWaalsContact O-CD 3.25Å; R134-P136 WeakPolarHBondContact O-CD 3.26Å; R134-F144 PolarHBondContact N-O 2.81Å
135H79.2Confident76.2Confident54 Ų5484.1 Ų84.125%0.2543%0.428CS..EExtended strand (participates in β ladder)trans-119.582.3-172.4-57.6-61000110.9K133 F144 T147 L150K133-H135 VanDerWaalsContact C-N 3.32Å; K133-H135 PolarHBondContact O-N 3.34Å; H135-F144 HydrophobicContact CB-CB 4.33Å; H135-F144 PolarHBondContact N-O 2.66Å; H135-F144 PolarHBondContact O-N 3.4Å; H135-T147 WeakPolarHBondContact CE1-CG2 3.43Å; H135-L150 HydrophobicContact CB-CB 4.23Å; H135-L150 HydrophobicContact CB-CD2 3.95Å
136P79.4Confident76.1Confident76 Ų7684.7 Ų84.749%0.49443%0.432SS..EExtended strand (participates in β ladder)trans-73.7139175.430.2-33.7000111.9R134R134-P136 VanDerWaalsContact O-CD 3.25Å; R134-P136 WeakPolarHBondContact O-CD 3.26Å
137C83.9Confident76.1Confident3 Ų385.2 Ų85.22%0.0244%0.438CS..  trans-70.7127.6167.4-179.80000110.1F139 C140 G141 K142 F144 L150 H153 M154 H157C137-F139 VanDerWaalsContact C-N 3.27Å; C137-F139 PolarHBondContact O-N 3.15Å; C137-F139 PolarHBondContact SG-N 3.12Å; C137-C140 VanDerWaalsContact SG-SG 3.6Å; C137-G141 WeakPolarHBondContact O-CA 3.28Å; C137-G141 PolarHBondContact O-N 2.88Å; C137-K142 WeakPolarHBondContact CB-O 3.18Å; C137-K142 PolarHBondContact N-O 3.25Å; C137-F144 HydrophobicContact CB-CE2 4.24Å; C137-L150 HydrophobicContact CB-CD1 3.91Å; C137-H153 WeakPolarHBondContact CB-NE2 3.48Å; C137-H153 PolarHBondContact SG-NE2 3.26Å; C137-M154 VanDerWaalsContact SG-SD 3.69Å; C137-H157 PolarHBondContact SG-NE2 2.68Å; C137-H157 VanDerWaalsContact SG-NE2 3.43Å
138R80.9Confident76.3Confident230 Ų23087.5 Ų87.587%0.86845%0.448SS*.THydrogen-bonded Turntrans-70.1-21.2179.6-64.9-175.1179176.2-1.1113.8
139F78.2Confident76.7Confident144 Ų14485.7 Ų85.763%0.63243%0.433SS*.THydrogen-bonded Turntrans-89.7-31.6-178.2-66.3-67.3000113.9C137 M154 H157C137-F139 VanDerWaalsContact C-N 3.27Å; C137-F139 PolarHBondContact O-N 3.15Å; C137-F139 PolarHBondContact SG-N 3.12Å; F139-M154 HydrophobicContact CD2-CE 3.36Å; F139-M154 HydrophobicContact CD2-SD 4.4Å; F139-M154 HydrophobicContact CE2-CE 3.27Å; F139-H157 HydrophobicContact CD2-CB 3.97Å; F139-H157 AromaticContact CD2-CD2 3.95Å; F139-H157 AromaticContact CD2-CG 3.89Å; F139-H157 HydrophobicContact CE2-CB 4.44Å; F139-H157 HydrophobicContact CG-CB 4.44Å
140C83Confident77.1Confident65 Ų6584 Ų8444%0.43943%0.426SS..THydrogen-bonded Turntrans-132.24.5-175.965.40000114.5C137 K142 H153 H157C137-C140 VanDerWaalsContact SG-SG 3.6Å; C140-K142 PolarHBondContact O-N 2.8Å; C140-K142 VanDerWaalsContact SG-CB 3.6Å; C140-H153 PolarHBondContact SG-NE2 2.87Å; C140-H157 PolarHBondContact SG-NE2 2.94Å
141G77.1Confident78Confident58 Ų5887.4 Ų87.460%0.59844%0.435SS*.  trans69.2-2.9-179.800000115C137 G143C137-G141 WeakPolarHBondContact O-CA 3.28Å; C137-G141 PolarHBondContact O-N 2.88Å; G141-G143 PolarHBondContact O-N 3.48Å
142K79.9Confident79Confident120 Ų12083.4 Ų83.452%0.52241%0.408SS..  trans-65.4121.2-176.9-167.6168.9-174.9171.20110.7C137 C140 F144C137-K142 WeakPolarHBondContact CB-O 3.18Å; C137-K142 PolarHBondContact N-O 3.25Å; C140-K142 PolarHBondContact O-N 2.8Å; C140-K142 VanDerWaalsContact SG-CB 3.6Å; K142-F144 HydrophobicContact CB-CE2 4.09Å; K142-F144 HydrophobicContact CB-CZ 4.35Å; K142-F144 HydrophobicContact CD-CZ 4Å; K142-F144 HydrophobicContact CG-CE2 4.08Å; K142-F144 HydrophobicContact CG-CZ 3.96Å; K142-F144 VanDerWaalsContact O-CD2 3.28Å; K142-F144 WeakPolarHBondContact O-CD2 3.48Å; K142-F144 WeakPolarHBondContact O-CE2 3.44Å
143G78.6Confident80.1Confident12 Ų1279.7 Ų79.712%0.12438%0.384CS..EExtended strand (participates in β ladder)trans-86.6139.6-179.900000114.3K133 G141K133-G143 WeakPolarHBondContact CD-O 3.43Å; K133-G143 VanDerWaalsContact CE-O 3.28Å; K133-G143 WeakPolarHBondContact CE-O 3.3Å; G141-G143 PolarHBondContact O-N 3.48Å
144F81.5Confident81Confident32 Ų3276.6 Ų76.614%0.1437%0.372CS..EExtended strand (participates in β ladder)trans-121.4155.1177-60.8-89000111.2R134 H135 C137 K142 D149 L150 H153R134-F144 PolarHBondContact N-O 2.81Å; H135-F144 HydrophobicContact CB-CB 4.33Å; H135-F144 PolarHBondContact N-O 2.66Å; H135-F144 PolarHBondContact O-N 3.4Å; C137-F144 HydrophobicContact CB-CE2 4.24Å; K142-F144 HydrophobicContact CB-CE2 4.09Å; K142-F144 HydrophobicContact CB-CZ 4.35Å; K142-F144 HydrophobicContact CD-CZ 4Å; K142-F144 HydrophobicContact CG-CE2 4.08Å; K142-F144 HydrophobicContact CG-CZ 3.96Å; K142-F144 VanDerWaalsContact O-CD2 3.28Å; K142-F144 WeakPolarHBondContact O-CD2 3.48Å; K142-F144 WeakPolarHBondContact O-CE2 3.44Å; F144-D149 HydrophobicContact CB-CB 4.29Å; F144-D149 HydrophobicContact CD1-CB 3.95Å; F144-D149 HydrophobicContact CG-CB 4.44Å; F144-L150 HydrophobicContact CB-CB 4.22Å; F144-L150 HydrophobicContact CD2-CB 4.09Å; F144-L150 HydrophobicContact CD2-CD1 3.74Å; F144-L150 HydrophobicContact CE2-CD1 4.05Å; F144-L150 HydrophobicContact CG-CB 4.26Å; F144-H153 HydrophobicContact CE1-CB 3.76Å; F144-H153 HydrophobicContact CE2-CB 3.82Å; F144-H153 AromaticContact CE2-CD2 3.22Å; F144-H153 WeakPolarHBondContact CE2-CD2 3.49Å; F144-H153 AromaticContact CE2-CG 3.53Å; F144-H153 AromaticContact CE2-NE2 3.87Å; F144-H153 HydrophobicContact CZ-CB 3.32Å; F144-H153 AromaticContact CZ-CD2 3.36Å; F144-H153 WeakPolarHBondContact CZ-CD2 3.39Å; F144-H153 AromaticContact CZ-CG 3.14Å; F144-H153 AromaticContact CZ-ND1 3.7Å; F144-H153 AromaticContact CZ-NE2 3.95Å
145N77.1Confident81.6Confident29 Ų2970.5 Ų70.516%0.15535%0.349CS..SBendtrans-89.8-15.5-178.4-67.3-21.7000113.4K127 C128K127-N145 HydrophobicContact CB-CB 3.86Å; K127-N145 WeakPolarHBondContact CD-O 3.4Å; K127-N145 VanDerWaalsContact O-CG 3.23Å; K127-N145 PolarHBondContact O-ND2 3.08Å; K127-N145 PolarHBondContact O-OD1 2.97Å; C128-N145 WeakPolarHBondContact CA-ND2 3.4Å
146D78.4Confident81.9Confident41 Ų4172.2 Ų72.222%0.21936%0.363CS..SBendtrans-138.2147.8-178.7-161.8-7.2000110.4F148 D149 L150D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 2.86Å; D146-D149 HydrophobicContact CB-CB 4.41Å; D146-D149 PolarHBondContact O-N 3.28Å; D146-L150 PolarHBondContact O-N 2.79Å; D146-L150 VanDerWaalsContact O-N 3.15Å
147T80.4Confident82Confident82 Ų8272.3 Ų72.350%0.50336%0.357SS..Hα-helixtrans-66.9-33.1176.857.40000111.1H135 D149 L150 K151H135-T147 WeakPolarHBondContact CE1-CG2 3.43Å; T147-D149 VanDerWaalsContact C-N 3.35Å; T147-L150 PolarHBondContact O-N 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.29Å; T147-K151 PolarHBondContact O-N 3.16Å
148F82.3Confident82Confident121 Ų12175.9 Ų75.953%0.53138%0.379SS..Hα-helixtrans-61.4-44174.8179.8-95.8000111.7D146 K151 R152D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 2.86Å; F148-K151 PolarHBondContact O-N 2.84Å; F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 PolarHBondContact O-N 2.88Å
149D82.1Confident82Confident46 Ų4667.4 Ų67.425%0.24636%0.363CS..Hα-helixtrans-67.4-39.5179-71.1-36.3000111.4F144 D146 T147 R152 H153F144-D149 HydrophobicContact CB-CB 4.29Å; F144-D149 HydrophobicContact CD1-CB 3.95Å; F144-D149 HydrophobicContact CG-CB 4.44Å; D146-D149 HydrophobicContact CB-CB 4.41Å; D146-D149 PolarHBondContact O-N 3.28Å; T147-D149 VanDerWaalsContact C-N 3.35Å; D149-R152 PolarHBondContact O-N 3.31Å; D149-R152 IonicContact OD1-CZ 3.38Å; D149-R152 IonicContact OD1-NH1 2.72Å; D149-R152 IonicContact OD1-NH2 2.66Å; D149-R152 PolarHBondContact OD1-NH2 3.45Å; D149-H153 WeakPolarHBondContact O-CB 3.39Å; D149-H153 PolarHBondContact O-N 3.41Å
150L84.4Confident82.2Confident35 Ų3565.1 Ų65.118%0.18336%0.356CS..Hα-helixtrans-60.2-51.6171.517561.3000110.6H135 C137 F144 D146 T147 R152 H153 M154H135-L150 HydrophobicContact CB-CB 4.23Å; H135-L150 HydrophobicContact CB-CD2 3.95Å; C137-L150 HydrophobicContact CB-CD1 3.91Å; F144-L150 HydrophobicContact CB-CB 4.22Å; F144-L150 HydrophobicContact CD2-CB 4.09Å; F144-L150 HydrophobicContact CD2-CD1 3.74Å; F144-L150 HydrophobicContact CE2-CD1 4.05Å; F144-L150 HydrophobicContact CG-CB 4.26Å; D146-L150 PolarHBondContact O-N 2.79Å; D146-L150 VanDerWaalsContact O-N 3.15Å; T147-L150 PolarHBondContact O-N 3.28Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.24Å; L150-H153 CarbonylContact O-C 3.51Å; L150-H153 WeakPolarHBondContact O-CA 3.5Å; L150-H153 WeakPolarHBondContact O-CB 3.38Å; L150-H153 PolarHBondContact O-N 3.5Å; L150-M154 HydrophobicContact CD1-CG 4.35Å; L150-M154 HydrophobicContact CD1-SD 3.93Å; L150-M154 HydrophobicContact CG-CG 4.46Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.42Å; L150-M154 PolarHBondContact O-N 3.22Å
151K85.1Confident82.4Confident115 Ų11567.8 Ų67.850%0.536%0.357SS..Hα-helixtrans-58.5-40.2179.6-173.3177.1-177.5-179.60112.2I31 T147 F148 M154I31-K151 VanDerWaalsContact CD1-NZ 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.29Å; T147-K151 PolarHBondContact O-N 3.16Å; F148-K151 PolarHBondContact O-N 2.84Å; K151-M154 PolarHBondContact O-N 3Å
152R84.7Confident82.7Confident85 Ų8568.4 Ų68.432%0.32135%0.35SS..Hα-helixtrans-63.6-43.3173.2-178.6-179.963.2-152.9-11.4111.1F148 D149 L150 M154 R155 Q174F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 PolarHBondContact O-N 2.88Å; D149-R152 PolarHBondContact O-N 3.31Å; D149-R152 IonicContact OD1-CZ 3.38Å; D149-R152 IonicContact OD1-NH1 2.72Å; D149-R152 IonicContact OD1-NH2 2.66Å; D149-R152 PolarHBondContact OD1-NH2 3.45Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.24Å; R152-M154 VanDerWaalsContact C-N 3.33Å; R152-R155 VanDerWaalsContact O-CB 3.3Å; R152-R155 WeakPolarHBondContact O-CB 3.26Å; R152-R155 WeakPolarHBondContact O-CG 3.22Å; R152-R155 PolarHBondContact O-N 3.45Å; R152-Q174 HydrophobicContact CG-CG 4.44Å
153H85.9Confident83.1Confident28 Ų2865.4 Ų65.413%0.1334%0.336CS..Hα-helixtrans-62.9-38176.1166.965.6000112.3C137 C140 F144 D149 L150 R155 T156 H157C137-H153 WeakPolarHBondContact CB-NE2 3.48Å; C137-H153 PolarHBondContact SG-NE2 3.26Å; C140-H153 PolarHBondContact SG-NE2 2.87Å; F144-H153 HydrophobicContact CE1-CB 3.76Å; F144-H153 HydrophobicContact CE2-CB 3.82Å; F144-H153 AromaticContact CE2-CD2 3.22Å; F144-H153 WeakPolarHBondContact CE2-CD2 3.49Å; F144-H153 AromaticContact CE2-CG 3.53Å; F144-H153 AromaticContact CE2-NE2 3.87Å; F144-H153 HydrophobicContact CZ-CB 3.32Å; F144-H153 AromaticContact CZ-CD2 3.36Å; F144-H153 WeakPolarHBondContact CZ-CD2 3.39Å; F144-H153 AromaticContact CZ-CG 3.14Å; F144-H153 AromaticContact CZ-ND1 3.7Å; F144-H153 AromaticContact CZ-NE2 3.95Å; D149-H153 WeakPolarHBondContact O-CB 3.39Å; D149-H153 PolarHBondContact O-N 3.41Å; L150-H153 CarbonylContact O-C 3.51Å; L150-H153 WeakPolarHBondContact O-CA 3.5Å; L150-H153 WeakPolarHBondContact O-CB 3.38Å; L150-H153 PolarHBondContact O-N 3.5Å; H153-R155 PolarHBondContact O-N 2.8Å; H153-T156 PolarHBondContact ND1-OG1 3.37Å; H153-T156 WeakPolarHBondContact O-CB 3.02Å; H153-T156 WeakPolarHBondContact O-CG2 3.41Å; H153-T156 PolarHBondContact O-N 3.46Å; H153-T156 PolarHBondContact O-OG1 3.16Å; H153-H157 AromaticContact CE1-NE2 3.61Å; H153-H157 AromaticContact NE2-CD2 3.82Å; H153-H157 AromaticContact NE2-NE2 3.35Å; H153-H157 PolarHBondContact NE2-NE2 3.08Å
154M85.6Confident83.4Confident49 Ų4971.7 Ų71.724%0.24136%0.36CS..Hα-helixtrans-56.1-25.8178.1-63-52.9-72.900113.3C137 F139 L150 K151 R152 T156 H157 T158C137-M154 VanDerWaalsContact SG-SD 3.69Å; F139-M154 HydrophobicContact CD2-CE 3.36Å; F139-M154 HydrophobicContact CD2-SD 4.4Å; F139-M154 HydrophobicContact CE2-CE 3.27Å; L150-M154 HydrophobicContact CD1-CG 4.35Å; L150-M154 HydrophobicContact CD1-SD 3.93Å; L150-M154 HydrophobicContact CG-CG 4.46Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.42Å; L150-M154 PolarHBondContact O-N 3.22Å; K151-M154 PolarHBondContact O-N 3Å; R152-M154 VanDerWaalsContact C-N 3.33Å; M154-T156 PolarHBondContact O-N 3.49Å; M154-H157 PolarHBondContact O-N 2.8Å; M154-T158 PolarHBondContact O-N 3.26Å; M154-T158 PolarHBondContact O-OG1 3.32Å
155R87Confident83.6Confident55 Ų5570.3 Ų70.321%0.20835%0.354CS..Hα-helixtrans-60.4-22.6173.8-58.2178.6-173.7168.30.3113.4R152 H153 H157 G159 T173R152-R155 VanDerWaalsContact O-CB 3.3Å; R152-R155 WeakPolarHBondContact O-CB 3.26Å; R152-R155 WeakPolarHBondContact O-CG 3.22Å; R152-R155 PolarHBondContact O-N 3.45Å; H153-R155 PolarHBondContact O-N 2.8Å; R155-H157 VanDerWaalsContact C-N 3.34Å; R155-G159 PolarHBondContact O-N 3.35Å; R155-G159 VanDerWaalsContact O-N 3.09Å; R155-T173 PolarHBondContact NH1-O 2.95Å
156T83.8Confident84Confident90 Ų9077.4 Ų77.455%0.55239%0.387SS*.Hα-helixtrans-75.5-25.7175.367.40000112.3H153 M154H153-T156 PolarHBondContact ND1-OG1 3.37Å; H153-T156 WeakPolarHBondContact O-CB 3.02Å; H153-T156 WeakPolarHBondContact O-CG2 3.41Å; H153-T156 PolarHBondContact O-N 3.46Å; H153-T156 PolarHBondContact O-OG1 3.16Å; M154-T156 PolarHBondContact O-N 3.49Å
157H82.6Confident84.2Confident78 Ų7880.5 Ų80.536%0.36140%0.403SS..Hα-helixtrans-86.2-40.1175.6-68.1-64.9000111.5C137 F139 C140 H153 M154 R155 G159C137-H157 PolarHBondContact SG-NE2 2.68Å; C137-H157 VanDerWaalsContact SG-NE2 3.43Å; F139-H157 HydrophobicContact CD2-CB 3.97Å; F139-H157 AromaticContact CD2-CD2 3.95Å; F139-H157 AromaticContact CD2-CG 3.89Å; F139-H157 HydrophobicContact CE2-CB 4.44Å; F139-H157 HydrophobicContact CG-CB 4.44Å; C140-H157 PolarHBondContact SG-NE2 2.94Å; H153-H157 AromaticContact CE1-NE2 3.61Å; H153-H157 AromaticContact NE2-CD2 3.82Å; H153-H157 AromaticContact NE2-NE2 3.35Å; H153-H157 PolarHBondContact NE2-NE2 3.08Å; M154-H157 PolarHBondContact O-N 2.8Å; R155-H157 VanDerWaalsContact C-N 3.34Å; H157-G159 VanDerWaalsContact C-N 3.34Å
158T83Confident84.6Confident79 Ų7979 Ų7949%0.48540%0.395SS..Hα-helixtrans-83.1-10.7-178.1600000113.8M154 I160M154-T158 PolarHBondContact O-N 3.26Å; M154-T158 PolarHBondContact O-OG1 3.32Å; T158-I160 HydrophobicContact CG2-CD1 4.49Å; T158-I160 PolarHBondContact O-N 3.31Å; T158-I160 VanDerWaalsContact O-N 3.14Å; T158-I160 WeakPolarHBondContact OG1-CD1 3.48Å; T158-I160 WeakPolarHBondContact OG1-CG1 3.32Å
159G81.4Confident84.7Confident52 Ų5281.2 Ų81.254%0.53641%0.407SS..  trans67.39-176.200000114.1R155 H157 R161R155-G159 PolarHBondContact O-N 3.35Å; R155-G159 VanDerWaalsContact O-N 3.09Å; H157-G159 VanDerWaalsContact C-N 3.34Å; G159-R161 PolarHBondContact O-N 3.35Å
160I83.3Confident84.9Confident96 Ų9685.2 Ų85.249%0.49242%0.422SS..  trans-70.3120.2-177.5-62.6170.7000109.7T158 P162T158-I160 HydrophobicContact CG2-CD1 4.49Å; T158-I160 PolarHBondContact O-N 3.31Å; T158-I160 VanDerWaalsContact O-N 3.14Å; T158-I160 WeakPolarHBondContact OG1-CD1 3.48Å; T158-I160 WeakPolarHBondContact OG1-CG1 3.32Å; I160-P162 WeakPolarHBondContact O-CD 3.36Å
161R86.4Confident85.1Confident121 Ų12184.7 Ų84.746%0.45742%0.423SS..  trans-119.782.7-179.7-65.4173.383.7104.1-0.5109.6G159 Y163 A171 F172 T173G159-R161 PolarHBondContact O-N 3.35Å; R161-Y163 PolarHBondContact O-N 3.34Å; R161-A171 HydrophobicContact CB-CB 3.44Å; R161-A171 VanDerWaalsContact CB-CB 3.44Å; R161-A171 HydrophobicContact CG-CB 4.36Å; R161-A171 PolarHBondContact NE-O 3.47Å; R161-A171 PolarHBondContact NH2-O 3.24Å; R161-F172 CarbonylContact C-O 3.53Å; R161-F172 VanDerWaalsContact C-O 3.25Å; R161-F172 VanDerWaalsContact CA-O 3.26Å; R161-F172 WeakPolarHBondContact CA-O 3.26Å; R161-T173 HydrophobicContact CG-CG2 3.82Å
162P83.9Confident85.2Confident70 Ų7080.6 Ų80.646%0.45541%0.405SS..  trans-73.8-13.9-170.329.2-32.3000113.3I160 F172I160-P162 WeakPolarHBondContact O-CD 3.36Å; P162-F172 WeakPolarHBondContact CD-O 3.31Å
163Y86.9Confident85.2Confident58 Ų5878.1 Ų78.123%0.22740%0.399CS..EExtended strand (participates in β ladder)trans-103.599.7-176.1-56.1-74000109.7R161 A171 F172 T173 Q174 R175R161-Y163 PolarHBondContact O-N 3.34Å; Y163-A171 CarbonylContact O-C 3.55Å; Y163-A171 WeakPolarHBondContact O-CA 3.13Å; Y163-F172 PolarHBondContact N-O 3.07Å; Y163-F172 VanDerWaalsContact N-O 3.15Å; Y163-F172 PolarHBondContact O-N 3.39Å; Y163-T173 WeakPolarHBondContact CE2-O 3.43Å; Y163-Q174 VanDerWaalsContact CD2-CA 3.5Å; Y163-R175 HydrophobicContact CD1-CB 4.05Å; Y163-R175 HydrophobicContact CE1-CB 3.83Å; Y163-R175 HydrophobicContact CE2-CB 4.4Å; Y163-R175 HydrophobicContact CG-CB 4.43Å
164K85.9Confident85.2Confident144 Ų14479.9 Ų79.963%0.62641%0.408SS*.EExtended strand (participates in β ladder)trans-94.7143.1178.9-63.6-176.3-179.2-178.90111.2A171K164-A171 HydrophobicContact CG-CB 3.94Å
165C85.9Confident85.3Confident2 Ų284 Ų841%0.01442%0.421CS..  trans-78.5123.8167.6175.50000108.8L167 C168 E169 K170 F172 L178 H181 M182 H186C165-L167 VanDerWaalsContact C-N 3.26Å; C165-L167 PolarHBondContact O-N 3.01Å; C165-L167 PolarHBondContact SG-N 2.83Å; C165-C168 PolarHBondContact SG-N 3.25Å; C165-C168 PolarHBondContact SG-SG 3.39Å; C165-E169 WeakPolarHBondContact O-CA 3.27Å; C165-E169 PolarHBondContact O-N 3.06Å; C165-K170 HydrophobicContact CB-CB 4.37Å; C165-K170 VanDerWaalsContact CB-O 3.29Å; C165-K170 WeakPolarHBondContact CB-O 3.33Å; C165-K170 PolarHBondContact N-O 3.28Å; C165-F172 HydrophobicContact CB-CE2 4.42Å; C165-L178 HydrophobicContact CB-CD1 3.83Å; C165-H181 PolarHBondContact SG-NE2 2.92Å; C165-H181 VanDerWaalsContact SG-NE2 3.35Å; C165-M182 VanDerWaalsContact CA-CE 3.46Å; C165-M182 HydrophobicContact CB-CE 3.65Å; C165-M182 WeakPolarHBondContact SG-CE 3.08Å; C165-H186 PolarHBondContact SG-NE2 2.67Å; C165-H186 VanDerWaalsContact SG-NE2 3.35Å
166E84.8Confident85.1Confident178 Ų17884.6 Ų84.683%0.83243%0.432SS*.THydrogen-bonded Turntrans-75.4-18.6178.8-67.5169.7-169.100112.5
167L83.3Confident85.4Confident107 Ų10782.4 Ų82.456%0.5642%0.421SS*.THydrogen-bonded Turntrans-91.8-29.9-176.2-61.2175.5000113.8C165 M182 H186 V188C165-L167 VanDerWaalsContact C-N 3.26Å; C165-L167 PolarHBondContact O-N 3.01Å; C165-L167 PolarHBondContact SG-N 2.83Å; L167-M182 HydrophobicContact CD1-SD 4.19Å; L167-H186 HydrophobicContact CD1-CB 3.57Å; L167-V188 HydrophobicContact CD1-CG2 3.91Å
168C88.1Confident85.7Confident50 Ų5079.2 Ų79.234%0.33841%0.406SS..THydrogen-bonded Turntrans-136.313.817971.20000113.9C165 K170 H181 H186C165-C168 PolarHBondContact SG-N 3.25Å; C165-C168 PolarHBondContact SG-SG 3.39Å; C168-K170 PolarHBondContact O-N 3.11Å; C168-H181 PolarHBondContact SG-CE1 3.02Å; C168-H181 PolarHBondContact SG-NE2 3.1Å; C168-H186 PolarHBondContact SG-NE2 2.84Å
169E85.2Confident85.9Confident168 Ų16878.7 Ų78.779%0.78540%0.398SS*.  trans58.32176.5-57.8-170.1164.500116.1C165 A171C165-E169 WeakPolarHBondContact O-CA 3.27Å; C165-E169 PolarHBondContact O-N 3.06Å; E169-A171 PolarHBondContact O-N 2.93Å; E169-A171 VanDerWaalsContact O-N 3.12Å
170K85.8Confident86.3Confident130 Ų13078.4 Ų78.457%0.56539%0.388SS*.  trans-61.1119.1175.7-81.6-176.4177.2176.20110.3C165 C168 F172C165-K170 HydrophobicContact CB-CB 4.37Å; C165-K170 VanDerWaalsContact CB-O 3.29Å; C165-K170 WeakPolarHBondContact CB-O 3.33Å; C165-K170 PolarHBondContact N-O 3.28Å; C168-K170 PolarHBondContact O-N 3.11Å; K170-F172 HydrophobicContact CB-CE2 3.93Å; K170-F172 HydrophobicContact CB-CZ 4.11Å; K170-F172 WeakPolarHBondContact O-CD2 3.4Å; K170-F172 VanDerWaalsContact O-CE2 3.26Å; K170-F172 WeakPolarHBondContact O-CE2 3.49Å
171A88.6Confident86.6Confident23 Ų2374.8 Ų74.819%0.1937%0.369CS..EExtended strand (participates in β ladder)trans-83.5154.8174.900000111R161 Y163 K164 E169R161-A171 HydrophobicContact CB-CB 3.44Å; R161-A171 VanDerWaalsContact CB-CB 3.44Å; R161-A171 HydrophobicContact CG-CB 4.36Å; R161-A171 PolarHBondContact NE-O 3.47Å; R161-A171 PolarHBondContact NH2-O 3.24Å; Y163-A171 CarbonylContact O-C 3.55Å; Y163-A171 WeakPolarHBondContact O-CA 3.13Å; K164-A171 HydrophobicContact CG-CB 3.94Å; E169-A171 PolarHBondContact O-N 2.93Å; E169-A171 VanDerWaalsContact O-N 3.12Å
172F86.4Confident86.6Confident30 Ų3069.2 Ų69.213%0.13235%0.348CS..EExtended strand (participates in β ladder)trans-139151.3176.6-61.6-90000110.7R161 P162 Y163 C165 K170 Q174 L178 H181R161-F172 CarbonylContact C-O 3.53Å; R161-F172 VanDerWaalsContact C-O 3.25Å; R161-F172 VanDerWaalsContact CA-O 3.26Å; R161-F172 WeakPolarHBondContact CA-O 3.26Å; P162-F172 WeakPolarHBondContact CD-O 3.31Å; Y163-F172 PolarHBondContact N-O 3.07Å; Y163-F172 VanDerWaalsContact N-O 3.15Å; Y163-F172 PolarHBondContact O-N 3.39Å; C165-F172 HydrophobicContact CB-CE2 4.42Å; K170-F172 HydrophobicContact CB-CE2 3.93Å; K170-F172 HydrophobicContact CB-CZ 4.11Å; K170-F172 WeakPolarHBondContact O-CD2 3.4Å; K170-F172 VanDerWaalsContact O-CE2 3.26Å; K170-F172 WeakPolarHBondContact O-CE2 3.49Å; F172-Q174 VanDerWaalsContact C-N 3.34Å; F172-L178 HydrophobicContact CB-CB 4.35Å; F172-L178 HydrophobicContact CD2-CB 3.9Å; F172-L178 HydrophobicContact CD2-CD1 3.66Å; F172-L178 HydrophobicContact CD2-CG 4.4Å; F172-L178 HydrophobicContact CE2-CD1 3.82Å; F172-L178 HydrophobicContact CG-CB 4.27Å; F172-H181 HydrophobicContact CE1-CB 3.96Å; F172-H181 HydrophobicContact CE2-CB 3.94Å; F172-H181 AromaticContact CE2-CD2 3.49Å; F172-H181 VanDerWaalsContact CE2-CD2 3.49Å; F172-H181 WeakPolarHBondContact CE2-CD2 3.31Å; F172-H181 AromaticContact CE2-CG 3.66Å; F172-H181 HydrophobicContact CZ-CB 3.42Å; F172-H181 VanDerWaalsContact CZ-CB 3.42Å; F172-H181 AromaticContact CZ-CD2 3.59Å; F172-H181 AromaticContact CZ-CG 3.25Å; F172-H181 AromaticContact CZ-ND1 3.69Å
173T86Confident86.7Confident33 Ų3370.1 Ų70.120%0.20234%0.342CS..SBendtrans-78.6-2017855.60000112.9R155 R161 Y163R155-T173 PolarHBondContact NH1-O 2.95Å; R161-T173 HydrophobicContact CG-CG2 3.82Å; Y163-T173 WeakPolarHBondContact CE2-O 3.43Å
174Q86.2Confident86.8Confident65 Ų6575.6 Ų75.630%0.30437%0.368SS..SBendtrans-135.5147.2-176.2-54.5-175.827.900112.2R152 Y163 F172 S177 L178R152-Q174 HydrophobicContact CG-CG 4.44Å; Y163-Q174 VanDerWaalsContact CD2-CA 3.5Å; F172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-S177 WeakPolarHBondContact O-CB 3.49Å; Q174-S177 PolarHBondContact O-N 3.05Å; Q174-L178 PolarHBondContact O-N 2.72Å
175R85.9Confident87Confident136 Ų13674.2 Ų74.251%0.51337%0.366SS..Hα-helixtrans-64.6-44.4178.8-178.7179.3-75.1157.1-5.3112.6Y163 S177 L178 E179Y163-R175 HydrophobicContact CD1-CB 4.05Å; Y163-R175 HydrophobicContact CE1-CB 3.83Å; Y163-R175 HydrophobicContact CE2-CB 4.4Å; Y163-R175 HydrophobicContact CG-CB 4.43Å; R175-S177 PolarHBondContact O-N 3.45Å; R175-L178 WeakPolarHBondContact O-CB 3.44Å; R175-L178 PolarHBondContact O-N 2.93Å; R175-L178 VanDerWaalsContact O-N 3.08Å; R175-E179 PolarHBondContact O-N 3.4Å
176C84.7Confident86.9Confident67 Ų6776.9 Ų76.945%0.45338%0.378SS..Hα-helixtrans-61.2-31.517954.50000112.6S180C176-S180 VanDerWaalsContact O-CB 3.32Å; C176-S180 WeakPolarHBondContact O-CB 3.36Å; C176-S180 PolarHBondContact O-N 3.21Å; C176-S180 PolarHBondContact O-OG 2.82Å
177S89.1Confident86.8Confident44 Ų4471.4 Ų71.431%0.30837%0.369SS..Hα-helixtrans-68.8-43.4173.6-52.60000111.5Q174 R175 S180 H181Q174-S177 WeakPolarHBondContact O-CB 3.49Å; Q174-S177 PolarHBondContact O-N 3.05Å; R175-S177 PolarHBondContact O-N 3.45Å; S177-S180 PolarHBondContact O-N 3.05Å; S177-H181 VanDerWaalsContact O-CB 3.31Å; S177-H181 WeakPolarHBondContact O-CB 3.38Å; S177-H181 PolarHBondContact O-N 2.94Å
178L89.1Confident86.4Confident10 Ų1069.1 Ų69.15%0.05236%0.36CS..Hα-helixtrans-60.8-46.8173.1174.164.8000111.1C165 F172 Q174 R175 S180 H181 M182C165-L178 HydrophobicContact CB-CD1 3.83Å; F172-L178 HydrophobicContact CB-CB 4.35Å; F172-L178 HydrophobicContact CD2-CB 3.9Å; F172-L178 HydrophobicContact CD2-CD1 3.66Å; F172-L178 HydrophobicContact CD2-CG 4.4Å; F172-L178 HydrophobicContact CE2-CD1 3.82Å; F172-L178 HydrophobicContact CG-CB 4.27Å; Q174-L178 PolarHBondContact O-N 2.72Å; R175-L178 WeakPolarHBondContact O-CB 3.44Å; R175-L178 PolarHBondContact O-N 2.93Å; R175-L178 VanDerWaalsContact O-N 3.08Å; L178-S180 PolarHBondContact O-N 3.26Å; L178-H181 CarbonylContact O-C 3.25Å; L178-H181 WeakPolarHBondContact O-CB 3.28Å; L178-H181 PolarHBondContact O-N 3.29Å; L178-H181 VanDerWaalsContact O-N 3.16Å; L178-M182 HydrophobicContact CD1-CE 3.82Å; L178-M182 HydrophobicContact CD1-CG 4.11Å; L178-M182 HydrophobicContact CG-CG 4.34Å; L178-M182 WeakPolarHBondContact O-CB 3.36Å; L178-M182 VanDerWaalsContact O-CG 3.26Å; L178-M182 WeakPolarHBondContact O-CG 3.46Å; L178-M182 PolarHBondContact O-N 3.02Å
179E87.6Confident85.5Confident68 Ų6871.5 Ų71.532%0.31837%0.366SS..Hα-helixtrans-62.6-43.2179.9-170.1-166.3147.700111.9R175 H181 M182 R183R175-E179 PolarHBondContact O-N 3.4Å; E179-H181 VanDerWaalsContact C-N 3.29Å; E179-H181 PolarHBondContact O-N 3.09Å; E179-M182 PolarHBondContact O-N 2.82Å; E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 PolarHBondContact O-N 3.39Å; E179-R183 IonicContact OE1-CZ 3.58Å; E179-R183 IonicContact OE1-NH2 2.75Å; E179-R183 PolarHBondContact OE1-NH2 3.02Å
180S88.6Confident84.4Confident47 Ų4766.8 Ų66.833%0.32934%0.344SS..Hα-helixtrans-63.8-37.7175.1-60.80000111.8C176 S177 L178 K184C176-S180 VanDerWaalsContact O-CB 3.32Å; C176-S180 WeakPolarHBondContact O-CB 3.36Å; C176-S180 PolarHBondContact O-N 3.21Å; C176-S180 PolarHBondContact O-OG 2.82Å; S177-S180 PolarHBondContact O-N 3.05Å; L178-S180 PolarHBondContact O-N 3.26Å; S180-K184 WeakPolarHBondContact O-CB 3.42Å; S180-K184 VanDerWaalsContact O-CG 3.27Å; S180-K184 WeakPolarHBondContact O-CG 3.3Å; S180-K184 PolarHBondContact O-N 3.23Å
181H89.8Confident82.8Confident19 Ų1967.4 Ų67.49%0.08835%0.348CS..Hα-helixtrans-65-47.2173.8162.375.5000111.6C165 C168 F172 S177 L178 E179 R183 K184 I185 H186C165-H181 PolarHBondContact SG-NE2 2.92Å; C165-H181 VanDerWaalsContact SG-NE2 3.35Å; C168-H181 PolarHBondContact SG-CE1 3.02Å; C168-H181 PolarHBondContact SG-NE2 3.1Å; F172-H181 HydrophobicContact CE1-CB 3.96Å; F172-H181 HydrophobicContact CE2-CB 3.94Å; F172-H181 AromaticContact CE2-CD2 3.49Å; F172-H181 VanDerWaalsContact CE2-CD2 3.49Å; F172-H181 WeakPolarHBondContact CE2-CD2 3.31Å; F172-H181 AromaticContact CE2-CG 3.66Å; F172-H181 HydrophobicContact CZ-CB 3.42Å; F172-H181 VanDerWaalsContact CZ-CB 3.42Å; F172-H181 AromaticContact CZ-CD2 3.59Å; F172-H181 AromaticContact CZ-CG 3.25Å; F172-H181 AromaticContact CZ-ND1 3.69Å; S177-H181 VanDerWaalsContact O-CB 3.31Å; S177-H181 WeakPolarHBondContact O-CB 3.38Å; S177-H181 PolarHBondContact O-N 2.94Å; L178-H181 CarbonylContact O-C 3.25Å; L178-H181 WeakPolarHBondContact O-CB 3.28Å; L178-H181 PolarHBondContact O-N 3.29Å; L178-H181 VanDerWaalsContact O-N 3.16Å; E179-H181 VanDerWaalsContact C-N 3.29Å; E179-H181 PolarHBondContact O-N 3.09Å; H181-R183 VanDerWaalsContact C-N 3.3Å; H181-R183 PolarHBondContact O-N 3.25Å; H181-K184 PolarHBondContact O-N 3.01Å; H181-I185 WeakPolarHBondContact ND1-CG1 3.18Å; H181-I185 VanDerWaalsContact O-CB 3.31Å; H181-I185 WeakPolarHBondContact O-CB 3.39Å; H181-I185 WeakPolarHBondContact O-CG1 3.41Å; H181-I185 PolarHBondContact O-N 2.93Å; H181-H186 AromaticContact CE1-NE2 3.73Å; H181-H186 AromaticContact NE2-CD2 3.6Å; H181-H186 AromaticContact NE2-NE2 3.32Å; H181-H186 PolarHBondContact NE2-NE2 2.79Å
182M86.1Confident80.9Confident5 Ų575.5 Ų75.53%0.02538%0.375CS..Iπ-helixtrans-58.3-44.3177.7-73-69.8-173.800111.6C165 L167 L178 E179 H186 G187 V188 Q190C165-M182 VanDerWaalsContact CA-CE 3.46Å; C165-M182 HydrophobicContact CB-CE 3.65Å; C165-M182 WeakPolarHBondContact SG-CE 3.08Å; L167-M182 HydrophobicContact CD1-SD 4.19Å; L178-M182 HydrophobicContact CD1-CE 3.82Å; L178-M182 HydrophobicContact CD1-CG 4.11Å; L178-M182 HydrophobicContact CG-CG 4.34Å; L178-M182 WeakPolarHBondContact O-CB 3.36Å; L178-M182 VanDerWaalsContact O-CG 3.26Å; L178-M182 WeakPolarHBondContact O-CG 3.46Å; L178-M182 PolarHBondContact O-N 3.02Å; E179-M182 PolarHBondContact O-N 2.82Å; M182-H186 CarbonylContact O-C 3.56Å; M182-H186 WeakPolarHBondContact O-CA 3.41Å; M182-H186 WeakPolarHBondContact O-CB 3.46Å; M182-H186 PolarHBondContact O-N 3.41Å; M182-H186 HydrophobicContact SD-CB 4.46Å; M182-G187 PolarHBondContact O-N 2.9Å; M182-V188 CarbonylContact C-O 3.59Å; M182-V188 VanDerWaalsContact CB-O 3.3Å; M182-V188 WeakPolarHBondContact CB-O 3.46Å; M182-V188 PolarHBondContact O-N 3.5Å; M182-Q190 HydrophobicContact CB-CG 4.23Å; M182-Q190 HydrophobicContact CG-CG 3.93Å
183R87.3Confident78.9Confident88 Ų8878.2 Ų78.233%0.33240%0.403SS..Iπ-helixtrans-63.5-47.3176.5-174.1-174.9-60.6105.45.6112.5E179 H181 G187 V188 H189E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 PolarHBondContact O-N 3.39Å; E179-R183 IonicContact OE1-CZ 3.58Å; E179-R183 IonicContact OE1-NH2 2.75Å; E179-R183 PolarHBondContact OE1-NH2 3.02Å; H181-R183 VanDerWaalsContact C-N 3.3Å; H181-R183 PolarHBondContact O-N 3.25Å; R183-G187 WeakPolarHBondContact O-CA 3.15Å; R183-G187 PolarHBondContact O-N 3.48Å; R183-V188 PolarHBondContact N-O 3.17Å; R183-H189 PolarHBondContact NE-NE2 3.05Å
184K88Confident76.8Confident174 Ų17484.9 Ų84.976%0.75743%0.426SS*.Iπ-helixtrans-79.5-36.2-172.2-72.2-178.8179.1-170.70113.9S180 H181S180-K184 WeakPolarHBondContact O-CB 3.42Å; S180-K184 VanDerWaalsContact O-CG 3.27Å; S180-K184 WeakPolarHBondContact O-CG 3.3Å; S180-K184 PolarHBondContact O-N 3.23Å; H181-K184 PolarHBondContact O-N 3.01Å
185I90.2Very high74.8Confident114 Ų11492.2 Ų92.259%0.58545%0.451SS*.Iπ-helixtrans-99.8-40.4-171.7-56.4-55.4000111.3H181H181-I185 WeakPolarHBondContact ND1-CG1 3.18Å; H181-I185 VanDerWaalsContact O-CB 3.31Å; H181-I185 WeakPolarHBondContact O-CB 3.39Å; H181-I185 WeakPolarHBondContact O-CG1 3.41Å; H181-I185 PolarHBondContact O-N 2.93Å
186H84.1Confident73.1Confident58 Ų5894.3 Ų94.327%0.26947%0.466SS..Iπ-helixtrans-105.2-7.2-175.2-60.7-64.8000113.1C165 L167 C168 H181 M182 V188C165-H186 PolarHBondContact SG-NE2 2.67Å; C165-H186 VanDerWaalsContact SG-NE2 3.35Å; L167-H186 HydrophobicContact CD1-CB 3.57Å; C168-H186 PolarHBondContact SG-NE2 2.84Å; H181-H186 AromaticContact CE1-NE2 3.73Å; H181-H186 AromaticContact NE2-CD2 3.6Å; H181-H186 AromaticContact NE2-NE2 3.32Å; H181-H186 PolarHBondContact NE2-NE2 2.79Å; M182-H186 CarbonylContact O-C 3.56Å; M182-H186 WeakPolarHBondContact O-CA 3.41Å; M182-H186 WeakPolarHBondContact O-CB 3.46Å; M182-H186 PolarHBondContact O-N 3.41Å; M182-H186 HydrophobicContact SD-CB 4.46Å; H186-V188 HydrophobicContact CB-CB 4.3Å; H186-V188 HydrophobicContact CB-CG2 3.96Å; H186-V188 PolarHBondContact O-N 2.77Å; H186-V188 VanDerWaalsContact O-N 3.09Å
187G82.7Confident71.5Confident63 Ų63100.7 Ų100.765%0.64948%0.481SS*.  trans64.18.2-171.500000113.4M182 R183M182-G187 PolarHBondContact O-N 2.9Å; R183-G187 WeakPolarHBondContact O-CA 3.15Å; R183-G187 PolarHBondContact O-N 3.48Å
188V75.3Confident69.9Low60 Ų60109.6 Ų109.636%0.36451%0.508SS..  trans-90.1119.7-176.3178.20000109.1L167 M182 R183 H186 Q190L167-V188 HydrophobicContact CD1-CG2 3.91Å; M182-V188 CarbonylContact C-O 3.59Å; M182-V188 VanDerWaalsContact CB-O 3.3Å; M182-V188 WeakPolarHBondContact CB-O 3.46Å; M182-V188 PolarHBondContact O-N 3.5Å; R183-V188 PolarHBondContact N-O 3.17Å; H186-V188 HydrophobicContact CB-CB 4.3Å; H186-V188 HydrophobicContact CB-CG2 3.96Å; H186-V188 PolarHBondContact O-N 2.77Å; H186-V188 VanDerWaalsContact O-N 3.09Å; V188-Q190 PolarHBondContact O-N 2.77Å
189H69.9Low68.5Low100 Ų100114 Ų11446%0.46354%0.54SS..  trans-79109.4160.9-100.2-122.3000108.2R183 H191R183-H189 PolarHBondContact NE-NE2 3.05Å; H189-H191 PolarHBondContact O-N 2.75Å
190Q61.4Low68.1Low68 Ų68117.2 Ų117.232%0.31855%0.553SS.*  trans-65.487.6164.2-77-172.5-18.100107.9M182 V188 Y192M182-Q190 HydrophobicContact CB-CG 4.23Å; M182-Q190 HydrophobicContact CG-CG 3.93Å; V188-Q190 PolarHBondContact O-N 2.77Å; Q190-Y192 VanDerWaalsContact C-N 3.34Å; Q190-Y192 PolarHBondContact O-N 2.66Å
191H52.4Low67.7Low144 Ų144120.1 Ų120.167%0.66756%0.563SS**  trans-66.495.2172.5-97.2-95.6000108.2H189 A193H189-H191 PolarHBondContact O-N 2.75Å; H191-A193 PolarHBondContact O-N 3.08Å
192Y47.8Very low67.3Low192 Ų192120.7 Ų120.775%0.75357%0.565SS**  trans-60122.1153.2-164.6-92.5000105.7Q190 Y194Q190-Y192 VanDerWaalsContact C-N 3.34Å; Q190-Y192 PolarHBondContact O-N 2.66Å; Y192-Y194 PolarHBondContact O-N 3.02Å
193A45.3Very low67.3Low87 Ų87124 Ų12472%0.71959%0.585SS**  trans-59.281.5-173.100000112.3H191 R195H191-A193 PolarHBondContact O-N 3.08Å; A193-R195 PolarHBondContact O-N 3.34Å
194Y41.4Very low67.2Low173 Ų173119.8 Ų119.868%0.67857%0.57SS**  trans-79.7106.9143.1-162.4-97.7000104.7Y192 Q196Y192-Y194 PolarHBondContact O-N 3.02Å; Y194-Q196 PolarHBondContact O-N 3.15Å
195R45Very low66.9Low220 Ų220119.7 Ų119.783%0.8357%0.572SS**  trans-39.4126178.7-69.5-179.7177.8118-2.2109A193 R197A193-R195 PolarHBondContact O-N 3.34Å; R195-R197 VanDerWaalsContact C-N 3.27Å; R195-R197 PolarHBondContact O-N 2.85Å
196Q48.9Very low66.5Low180 Ų180118.3 Ų118.384%0.84157%0.566SS**  trans-51.697.6163.9-65170.28.800106.9Y194 R198Y194-Q196 PolarHBondContact O-N 3.15Å; Q196-R198 VanDerWaalsContact C-N 3.31Å; Q196-R198 PolarHBondContact O-N 3Å
197R51.4Low66.7Low201 Ų201118.7 Ų118.776%0.75858%0.575SS**  trans-63.3109.3153.4-75.9-176.3179.7153.9-0.1102.2R195 S199R195-R197 VanDerWaalsContact C-N 3.27Å; R195-R197 PolarHBondContact O-N 2.85Å; R197-S199 PolarHBondContact O-N 3.16Å; R197-S199 VanDerWaalsContact O-N 3.08Å
198R55.2Low66.8Low231 Ų231117.9 Ų117.987%0.87257%0.566SS**  trans-27.3120.6167.8-80.1169114.992.1-6107.2Q196 K200Q196-R198 VanDerWaalsContact C-N 3.31Å; Q196-R198 PolarHBondContact O-N 3Å; R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 WeakPolarHBondContact O-CA 3.03Å; R198-K200 PolarHBondContact O-N 3.05Å
199S61.1Low67.4Low103 Ų103119.1 Ų119.172%0.7257%0.565SS**  trans-46.997.1-180-54.60000107.9R197 I201R197-S199 PolarHBondContact O-N 3.16Å; R197-S199 VanDerWaalsContact O-N 3.08Å; S199-I201 PolarHBondContact O-N 3.28Å
200K77.6Confident68.1Low135 Ų135118.3 Ų118.359%0.58757%0.567SS**  trans-76.1105.2-172-179.1177.5178.5178.10103.9R198 F202R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 WeakPolarHBondContact O-CA 3.03Å; R198-K200 PolarHBondContact O-N 3.05Å; K200-F202 HydrophobicContact CB-CE2 4.48Å; K200-F202 HydrophobicContact CD-CE1 4.49Å; K200-F202 HydrophobicContact CD-CZ 4.45Å; K200-F202 WeakPolarHBondContact O-CD2 3.2Å; K200-F202 WeakPolarHBondContact O-CE2 3.21Å; K200-F202 PolarHBondContact O-N 2.82Å
201I81Confident69.2Low107 Ų107115.4 Ų115.455%0.54955%0.554SS.*  trans-68.6119172.8-59.3172.2000105.8S199 V203 T210S199-I201 PolarHBondContact O-N 3.28Å; I201-V203 HydrophobicContact CG2-CG2 4.26Å; I201-T210 HydrophobicContact CG2-CG2 4.45Å
202F81.3Confident70.5Confident31 Ų31112.3 Ų112.314%0.13655%0.549CS..EExtended strand (participates in β ladder)trans-85.1125.3173.4-63.4-95.5000107.4K200 T210 S211 P214 Y217K200-F202 HydrophobicContact CB-CE2 4.48Å; K200-F202 HydrophobicContact CD-CE1 4.49Å; K200-F202 HydrophobicContact CD-CZ 4.45Å; K200-F202 WeakPolarHBondContact O-CD2 3.2Å; K200-F202 WeakPolarHBondContact O-CE2 3.21Å; K200-F202 PolarHBondContact O-N 2.82Å; F202-T210 CarbonylContact O-C 3.42Å; F202-T210 VanDerWaalsContact O-CA 3.26Å; F202-T210 WeakPolarHBondContact O-CA 3.45Å; F202-S211 PolarHBondContact N-O 3.01Å; F202-S211 PolarHBondContact O-N 3.35Å; F202-P214 HydrophobicContact CD2-CB 4.48Å; F202-P214 HydrophobicContact CD2-CG 4.46Å; F202-P214 HydrophobicContact CE2-CB 3.85Å; F202-P214 HydrophobicContact CE2-CG 3.55Å; F202-P214 HydrophobicContact CZ-CB 3.86Å; F202-P214 HydrophobicContact CZ-CG 3.79Å; F202-Y217 HydrophobicContact CB-CD1 3.86Å; F202-Y217 HydrophobicContact CB-CD2 3.53Å; F202-Y217 HydrophobicContact CB-CE1 4.33Å; F202-Y217 HydrophobicContact CB-CE2 4.02Å; F202-Y217 HydrophobicContact CB-CG 3.41Å; F202-Y217 VanDerWaalsContact CB-CG 3.41Å; F202-Y217 HydrophobicContact CD1-CD1 4.01Å; F202-Y217 HydrophobicContact CD1-CE1 4.29Å; F202-Y217 HydrophobicContact CD1-CG 4.41Å; F202-Y217 HydrophobicContact CG-CD1 4.16Å; F202-Y217 HydrophobicContact CG-CG 4.09Å
203V85.9Confident72Confident74 Ų74108.9 Ų108.945%0.44853%0.534SS..EExtended strand (participates in β ladder)trans-113.4131178.5-175.40000107.7I201 Y209 T210 Y217I201-V203 HydrophobicContact CG2-CG2 4.26Å; V203-Y209 CarbonylContact C-O 3.13Å; V203-Y209 WeakPolarHBondContact CA-O 3.02Å; V203-T210 HydrophobicContact CB-CG2 4.35Å; V203-T210 HydrophobicContact CG1-CG2 4.09Å; V203-T210 HydrophobicContact CG2-CG2 3.85Å; V203-Y217 WeakPolarHBondContact O-CE2 3.39Å; V203-Y217 PolarHBondContact O-OH 3.08Å
204C85.6Confident73.7Confident1 Ų1107.6 Ų107.61%0.00752%0.518CS..  trans-79.6120.8174-1770000108.1D206 C207 G208 Y209 Y217C204-D206 PolarHBondContact O-N 3.37Å; C204-C207 VanDerWaalsContact SG-SG 3.62Å; C204-G208 WeakPolarHBondContact O-CA 3.12Å; C204-G208 PolarHBondContact O-N 2.99Å; C204-Y209 PolarHBondContact N-O 3.13Å; C204-Y217 HydrophobicContact CB-CE2 3.98Å
205E81.8Confident75.5Confident172 Ų172103.5 Ų103.580%0.80451%0.508SS*.THydrogen-bonded Turntrans-73-21.3-179.4-66173.8-177.800111.8
206D82.1Confident77.3Confident84 Ų8496.8 Ų96.845%0.44949%0.486SS..THydrogen-bonded Turntrans-84.2-25.6-177-58.8-49.3000113.3C204 H225 S228C204-D206 PolarHBondContact O-N 3.37Å; D206-H225 HydrophobicContact CB-CB 4.43Å; D206-H225 IonicContact OD2-CG 3.88Å; D206-S228 WeakPolarHBondContact OD2-CB 3.19Å; D206-S228 PolarHBondContact OD2-OG 3.44Å
207C87Confident79.1Confident67 Ų6789.2 Ų89.245%0.45345%0.45SS..THydrogen-bonded Turntrans-143.3-1.4-177.771.30000115.9C204 Y209 H220 H225C204-C207 VanDerWaalsContact SG-SG 3.62Å; C207-Y209 VanDerWaalsContact C-N 3.28Å; C207-Y209 PolarHBondContact O-N 3.48Å; C207-Y209 VanDerWaalsContact SG-CB 3.59Å; C207-H220 PolarHBondContact SG-CE1 3.22Å; C207-H220 PolarHBondContact SG-NE2 3.38Å; C207-H225 WeakPolarHBondContact CB-NE2 3.2Å; C207-H225 PolarHBondContact SG-NE2 3.2Å
208G84.6Confident80.7Confident45 Ų4581.5 Ų81.546%0.46442%0.422SS..  trans77.33.8-179.900000115.5C204 T210C204-G208 WeakPolarHBondContact O-CA 3.12Å; C204-G208 PolarHBondContact O-N 2.99Å; G208-T210 WeakPolarHBondContact O-CG2 3.39Å; G208-T210 PolarHBondContact O-N 3.24Å
209Y89.3Confident82.2Confident87 Ų8774.9 Ų74.934%0.34140%0.404SS..  trans-57.7131.6176.2176-101.7000111.4V203 C204 C207 H220V203-Y209 CarbonylContact C-O 3.13Å; V203-Y209 WeakPolarHBondContact CA-O 3.02Å; C204-Y209 PolarHBondContact N-O 3.13Å; C207-Y209 VanDerWaalsContact C-N 3.28Å; C207-Y209 PolarHBondContact O-N 3.48Å; C207-Y209 VanDerWaalsContact SG-CB 3.59Å; Y209-H220 HydrophobicContact CD1-CB 3.92Å; Y209-H220 AromaticContact CD1-CD2 3.53Å; Y209-H220 AromaticContact CD1-CG 3.5Å; Y209-H220 VanDerWaalsContact CD1-CG 3.5Å; Y209-H220 AromaticContact CD1-ND1 3.97Å; Y209-H220 HydrophobicContact CE1-CB 3.83Å; Y209-H220 AromaticContact CE1-CG 3.92Å; Y209-H220 AromaticContact CG-CD2 3.92Å; Y209-H220 AromaticContact CG-CE1 3.91Å; Y209-H220 AromaticContact CG-CG 3.89Å; Y209-H220 AromaticContact CG-ND1 3.88Å; Y209-H220 AromaticContact CG-NE2 3.95Å
210T84.6Confident83.5Confident82 Ų8271.3 Ų71.350%0.50338%0.375SS..EExtended strand (participates in β ladder)trans-116.1136.4179.668.70000111.4I201 F202 V203 G208I201-T210 HydrophobicContact CG2-CG2 4.45Å; F202-T210 CarbonylContact O-C 3.42Å; F202-T210 VanDerWaalsContact O-CA 3.26Å; F202-T210 WeakPolarHBondContact O-CA 3.45Å; V203-T210 HydrophobicContact CB-CG2 4.35Å; V203-T210 HydrophobicContact CG1-CG2 4.09Å; V203-T210 HydrophobicContact CG2-CG2 3.85Å; G208-T210 WeakPolarHBondContact O-CG2 3.39Å; G208-T210 PolarHBondContact O-N 3.24Å
211S83.3Confident83.9Confident7 Ų764.9 Ų64.95%0.04935%0.348CS..EExtended strand (participates in β ladder)trans-140.1142.1169.4-1790000111.2F202 R213 E216F202-S211 PolarHBondContact N-O 3.01Å; F202-S211 PolarHBondContact O-N 3.35Å; S211-R213 PolarHBondContact OG-N 2.91Å; S211-R213 PolarHBondContact OG-O 3.27Å; S211-R213 VanDerWaalsContact OG-O 3.13Å; S211-E216 PolarHBondContact OG-OE2 3.03Å
212S80Confident84.2Confident80 Ų8067.9 Ų67.956%0.55935%0.352SS*.SBendtrans-81.1-9.5170.760.60000112.3
213R79.1Confident84.5Confident120 Ų12072.5 Ų72.545%0.45337%0.374SS..SBendtrans-110.6118-176.9-71.31785979.59.4110S211 D215 E216 Y217S211-R213 PolarHBondContact OG-N 2.91Å; S211-R213 PolarHBondContact OG-O 3.27Å; S211-R213 VanDerWaalsContact OG-O 3.13Å; R213-D215 VanDerWaalsContact C-N 3.3Å; R213-D215 WeakPolarHBondContact CB-OD1 3.49Å; R213-D215 IonicContact CZ-OD1 3.86Å; R213-D215 IonicContact CZ-OD2 3.75Å; R213-D215 IonicContact NE-OD1 3.87Å; R213-D215 IonicContact NE-OD2 3.75Å; R213-D215 IonicContact NH2-OD1 3.6Å; R213-D215 IonicContact NH2-OD2 3.87Å; R213-D215 PolarHBondContact NH2-OD2 3.38Å; R213-D215 PolarHBondContact O-N 2.95Å; R213-E216 HydrophobicContact CB-CB 4.27Å; R213-E216 HydrophobicContact CB-CG 4.16Å; R213-E216 WeakPolarHBondContact CD-OE1 3.26Å; R213-E216 IonicContact NE-OE1 3Å; R213-E216 PolarHBondContact NE-OE1 3.31Å; R213-E216 PolarHBondContact O-N 2.98Å; R213-Y217 PolarHBondContact O-N 3.45Å
214P82.1Confident84.5Confident59 Ų5974.9 Ų74.938%0.38338%0.38SS..Hα-helixtrans-60.5-38-177.1-15.922.5000113.3F202 E216 Y217 F218F202-P214 HydrophobicContact CD2-CB 4.48Å; F202-P214 HydrophobicContact CD2-CG 4.46Å; F202-P214 HydrophobicContact CE2-CB 3.85Å; F202-P214 HydrophobicContact CE2-CG 3.55Å; F202-P214 HydrophobicContact CZ-CB 3.86Å; F202-P214 HydrophobicContact CZ-CG 3.79Å; P214-E216 PolarHBondContact O-N 3.05Å; P214-Y217 PolarHBondContact O-N 2.95Å; P214-F218 HydrophobicContact CB-CD2 4.39Å; P214-F218 HydrophobicContact CB-CE2 4.26Å; P214-F218 WeakPolarHBondContact O-CD2 3.45Å; P214-F218 PolarHBondContact O-N 3.44Å
215D78.1Confident84.6Confident88 Ų8876.8 Ų76.847%0.47139%0.389SS..Hα-helixtrans-59.6-43.6179.748.3-49.5000112.4R213 L219R213-D215 VanDerWaalsContact C-N 3.3Å; R213-D215 WeakPolarHBondContact CB-OD1 3.49Å; R213-D215 IonicContact CZ-OD1 3.86Å; R213-D215 IonicContact CZ-OD2 3.75Å; R213-D215 IonicContact NE-OD1 3.87Å; R213-D215 IonicContact NE-OD2 3.75Å; R213-D215 IonicContact NH2-OD1 3.6Å; R213-D215 IonicContact NH2-OD2 3.87Å; R213-D215 PolarHBondContact NH2-OD2 3.38Å; R213-D215 PolarHBondContact O-N 2.95Å; D215-L219 WeakPolarHBondContact O-CB 3.41Å; D215-L219 PolarHBondContact O-N 3.35Å
216E83Confident84.4Confident79 Ų7973 Ų7337%0.36938%0.379SS..Hα-helixtrans-69.1-42.5177.7-70.4171.8-17000111.8S211 R213 P214 L219 H220S211-E216 PolarHBondContact OG-OE2 3.03Å; R213-E216 HydrophobicContact CB-CB 4.27Å; R213-E216 HydrophobicContact CB-CG 4.16Å; R213-E216 WeakPolarHBondContact CD-OE1 3.26Å; R213-E216 IonicContact NE-OE1 3Å; R213-E216 PolarHBondContact NE-OE1 3.31Å; R213-E216 PolarHBondContact O-N 2.98Å; P214-E216 PolarHBondContact O-N 3.05Å; E216-L219 PolarHBondContact O-N 2.77Å; E216-H220 WeakPolarHBondContact O-CB 3.35Å; E216-H220 PolarHBondContact O-N 2.95Å
217Y86.4Confident84.4Confident20 Ų2075.1 Ų75.18%0.07840%0.395CS..Hα-helixtrans-58.3-50.7175.5170.9-100.9000112.1F202 V203 C204 R213 P214 L219 H220 V221F202-Y217 HydrophobicContact CB-CD1 3.86Å; F202-Y217 HydrophobicContact CB-CD2 3.53Å; F202-Y217 HydrophobicContact CB-CE1 4.33Å; F202-Y217 HydrophobicContact CB-CE2 4.02Å; F202-Y217 HydrophobicContact CB-CG 3.41Å; F202-Y217 VanDerWaalsContact CB-CG 3.41Å; F202-Y217 HydrophobicContact CD1-CD1 4.01Å; F202-Y217 HydrophobicContact CD1-CE1 4.29Å; F202-Y217 HydrophobicContact CD1-CG 4.41Å; F202-Y217 HydrophobicContact CG-CD1 4.16Å; F202-Y217 HydrophobicContact CG-CG 4.09Å; V203-Y217 WeakPolarHBondContact O-CE2 3.39Å; V203-Y217 PolarHBondContact O-OH 3.08Å; C204-Y217 HydrophobicContact CB-CE2 3.98Å; R213-Y217 PolarHBondContact O-N 3.45Å; P214-Y217 PolarHBondContact O-N 2.95Å; Y217-L219 VanDerWaalsContact C-N 3.34Å; Y217-L219 PolarHBondContact O-N 3.37Å; Y217-H220 WeakPolarHBondContact O-CB 3.17Å; Y217-H220 PolarHBondContact O-N 3.1Å; Y217-V221 HydrophobicContact CD2-CG2 4.31Å; Y217-V221 HydrophobicContact CE1-CG2 4.12Å; Y217-V221 HydrophobicContact CE2-CG2 3.89Å; Y217-V221 WeakPolarHBondContact O-CG2 3.09Å; Y217-V221 PolarHBondContact O-N 3.1Å
218F84.9Confident83.9Confident40 Ų4072.3 Ų72.318%0.17538%0.376CS..Hα-helixtrans-69.5-31.6-178.9-71.7-64000112.6P214 R222 L231 Y234P214-F218 HydrophobicContact CB-CD2 4.39Å; P214-F218 HydrophobicContact CB-CE2 4.26Å; P214-F218 WeakPolarHBondContact O-CD2 3.45Å; P214-F218 PolarHBondContact O-N 3.44Å; F218-R222 WeakPolarHBondContact O-CB 3.39Å; F218-R222 VanDerWaalsContact O-CG 3.26Å; F218-R222 WeakPolarHBondContact O-CG 3.35Å; F218-R222 PolarHBondContact O-N 3.19Å; F218-L231 HydrophobicContact CD1-CD2 4.39Å; F218-Y234 HydrophobicContact CE1-CD2 4.04Å; F218-Y234 HydrophobicContact CE2-CD2 4.44Å; F218-Y234 AromaticContact CZ-CD2 3.49Å; F218-Y234 HydrophobicContact CZ-CD2 3.49Å; F218-Y234 VanDerWaalsContact CZ-CD2 3.49Å; F218-Y234 AromaticContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CG 4.14Å
219L87Confident83.3Confident92 Ų9274 Ų7448%0.48238%0.379SS..Hα-helixtrans-63.9-46.9172.6-175.465.2000111D215 E216 Y217 R222 Q223D215-L219 WeakPolarHBondContact O-CB 3.41Å; D215-L219 PolarHBondContact O-N 3.35Å; E216-L219 PolarHBondContact O-N 2.77Å; Y217-L219 VanDerWaalsContact C-N 3.34Å; Y217-L219 PolarHBondContact O-N 3.37Å; L219-R222 PolarHBondContact O-N 2.84Å; L219-Q223 HydrophobicContact CD1-CG 4.37Å; L219-Q223 WeakPolarHBondContact O-CB 3.26Å; L219-Q223 WeakPolarHBondContact O-CG 3.45Å; L219-Q223 PolarHBondContact O-N 3.48Å
220H89.1Confident82.1Confident27 Ų2770.8 Ų70.813%0.12537%0.37CS..Hα-helixtrans-56.8-51.1175162.582.4000111.5C207 Y209 E216 Y217 R222 Q223 H224 H225C207-H220 PolarHBondContact SG-CE1 3.22Å; C207-H220 PolarHBondContact SG-NE2 3.38Å; Y209-H220 HydrophobicContact CD1-CB 3.92Å; Y209-H220 AromaticContact CD1-CD2 3.53Å; Y209-H220 AromaticContact CD1-CG 3.5Å; Y209-H220 VanDerWaalsContact CD1-CG 3.5Å; Y209-H220 AromaticContact CD1-ND1 3.97Å; Y209-H220 HydrophobicContact CE1-CB 3.83Å; Y209-H220 AromaticContact CE1-CG 3.92Å; Y209-H220 AromaticContact CG-CD2 3.92Å; Y209-H220 AromaticContact CG-CE1 3.91Å; Y209-H220 AromaticContact CG-CG 3.89Å; Y209-H220 AromaticContact CG-ND1 3.88Å; Y209-H220 AromaticContact CG-NE2 3.95Å; E216-H220 WeakPolarHBondContact O-CB 3.35Å; E216-H220 PolarHBondContact O-N 2.95Å; Y217-H220 WeakPolarHBondContact O-CB 3.17Å; Y217-H220 PolarHBondContact O-N 3.1Å; H220-R222 VanDerWaalsContact C-N 3.31Å; H220-R222 PolarHBondContact O-N 3.1Å; H220-Q223 PolarHBondContact O-N 3.42Å; H220-H224 AromaticContact ND1-CD2 3.7Å; H220-H224 PolarHBondContact O-N 2.91Å; H220-H225 AromaticContact NE2-CD2 3.63Å; H220-H225 AromaticContact NE2-NE2 3.79Å
221V86.6Confident81.2Confident0 Ų069.2 Ų69.20%036%0.359CS..Hα-helixtrans-62.1-39.5179.7178.80000110.8Y217 Q223 H225 A230 L231Y217-V221 HydrophobicContact CD2-CG2 4.31Å; Y217-V221 HydrophobicContact CE1-CG2 4.12Å; Y217-V221 HydrophobicContact CE2-CG2 3.89Å; Y217-V221 WeakPolarHBondContact O-CG2 3.09Å; Y217-V221 PolarHBondContact O-N 3.1Å; V221-Q223 PolarHBondContact O-N 3.3Å; V221-H225 HydrophobicContact CG1-CB 4.23Å; V221-H225 CarbonylContact O-C 3.57Å; V221-H225 WeakPolarHBondContact O-CA 3.48Å; V221-H225 PolarHBondContact O-N 3.49Å; V221-A230 HydrophobicContact CG1-CB 4.29Å; V221-L231 HydrophobicContact CB-CD2 4.08Å; V221-L231 HydrophobicContact CG1-CD1 4.16Å; V221-L231 HydrophobicContact CG1-CD2 3.69Å; V221-L231 HydrophobicContact CG1-CG 3.68Å
222R87.5Confident80.3Confident171 Ų17179.1 Ų79.165%0.64540%0.395SS*.Hα-helixtrans-65.3-37.9176.8-76.8178.3-172.6172.53113.6F218 L219 H220 L231F218-R222 WeakPolarHBondContact O-CB 3.39Å; F218-R222 VanDerWaalsContact O-CG 3.26Å; F218-R222 WeakPolarHBondContact O-CG 3.35Å; F218-R222 PolarHBondContact O-N 3.19Å; L219-R222 PolarHBondContact O-N 2.84Å; H220-R222 VanDerWaalsContact C-N 3.31Å; H220-R222 PolarHBondContact O-N 3.1Å; R222-L231 HydrophobicContact CG-CD1 4.04Å; R222-L231 HydrophobicContact CG-CD2 3.6Å; R222-L231 HydrophobicContact CG-CG 4.5Å
223Q87.6Confident79.1Confident127 Ų12784.3 Ų84.359%0.59340%0.402SS*.Hα-helixtrans-81.3-39.4-175.9-72.8177.5-17.300112.5L219 H220 V221L219-Q223 HydrophobicContact CD1-CG 4.37Å; L219-Q223 WeakPolarHBondContact O-CB 3.26Å; L219-Q223 WeakPolarHBondContact O-CG 3.45Å; L219-Q223 PolarHBondContact O-N 3.48Å; H220-Q223 PolarHBondContact O-N 3.42Å; V221-Q223 PolarHBondContact O-N 3.3Å
224H85.7Confident77.5Confident125 Ų12589.2 Ų89.258%0.57942%0.422SS*.Hα-helixtrans-105.1-24.2-173.1-65.2-77.9000113.7H220H220-H224 AromaticContact ND1-CD2 3.7Å; H220-H224 PolarHBondContact O-N 2.91Å
225H86.4Confident77.3Confident41 Ų4190.7 Ų90.719%0.1942%0.424CS..  trans-13560.3-177.2-53.8-66.6000112.3D206 C207 H220 V221 T227 S228D206-H225 HydrophobicContact CB-CB 4.43Å; D206-H225 IonicContact OD2-CG 3.88Å; C207-H225 WeakPolarHBondContact CB-NE2 3.2Å; C207-H225 PolarHBondContact SG-NE2 3.2Å; H220-H225 AromaticContact NE2-CD2 3.63Å; H220-H225 AromaticContact NE2-NE2 3.79Å; V221-H225 HydrophobicContact CG1-CB 4.23Å; V221-H225 CarbonylContact O-C 3.57Å; V221-H225 WeakPolarHBondContact O-CA 3.48Å; V221-H225 PolarHBondContact O-N 3.49Å; H225-T227 PolarHBondContact O-N 2.67Å; H225-T227 VanDerWaalsContact O-N 3.1Å; H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 2.93Å
226P78.8Confident77.3Confident93 Ų9390.8 Ų90.860%0.60442%0.422SS*.THydrogen-bonded Turntrans-65-18.9-171.226.5-36000114.4
227T80.9Confident76.9Confident127 Ų12791.5 Ų91.578%0.77943%0.425SS*.THydrogen-bonded Turntrans-91.9-3175.552.40000113.2H225H225-T227 PolarHBondContact O-N 2.67Å; H225-T227 VanDerWaalsContact O-N 3.1Å
228S77.6Confident76.4Confident8 Ų895.7 Ų95.76%0.05645%0.445CS..  trans-59.1134.2-173.3-172.20000112D206 H225 A230 L231D206-S228 WeakPolarHBondContact OD2-CB 3.19Å; D206-S228 PolarHBondContact OD2-OG 3.44Å; H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 2.93Å; S228-A230 PolarHBondContact O-N 3.1Å; S228-A230 VanDerWaalsContact O-N 3.1Å; S228-A230 PolarHBondContact OG-N 3.31Å; S228-L231 PolarHBondContact O-N 3.37Å
229P70.6Confident75.8Confident82 Ų8299.2 Ų99.253%0.53246%0.462SS..G310 helixtrans-58.5-22.6174.7-21.531.9000113.3L231 R232P229-L231 PolarHBondContact O-N 2.82Å; P229-R232 PolarHBondContact O-N 2.99Å; P229-R232 VanDerWaalsContact O-N 3.08Å
230A64.6Low75.1Confident18 Ų1899.7 Ų99.715%0.14946%0.461CS..G310 helixtrans-59.6-25.8178.600000113.2V221 S228 R232V221-A230 HydrophobicContact CG1-CB 4.29Å; S228-A230 PolarHBondContact O-N 3.1Å; S228-A230 VanDerWaalsContact O-N 3.1Å; S228-A230 PolarHBondContact OG-N 3.31Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 3.38Å
231L65.6Low74.1Confident49 Ų49104.9 Ų104.926%0.25749%0.485SS..G310 helixtrans-78.3-8.5178.2-61.2178000114.1F218 V221 R222 S228 P229F218-L231 HydrophobicContact CD1-CD2 4.39Å; V221-L231 HydrophobicContact CB-CD2 4.08Å; V221-L231 HydrophobicContact CG1-CD1 4.16Å; V221-L231 HydrophobicContact CG1-CD2 3.69Å; V221-L231 HydrophobicContact CG1-CG 3.68Å; R222-L231 HydrophobicContact CG-CD1 4.04Å; R222-L231 HydrophobicContact CG-CD2 3.6Å; R222-L231 HydrophobicContact CG-CG 4.5Å; S228-L231 PolarHBondContact O-N 3.37Å; P229-L231 PolarHBondContact O-N 2.82Å
232R63.9Low73.1Confident215 Ų215112.9 Ų112.981%0.81152%0.522SS*.G310 helixtrans-98.9-6.4-178.1-57.8-172.3-167.2-150.44114.3P229 A230P229-R232 PolarHBondContact O-N 2.99Å; P229-R232 VanDerWaalsContact O-N 3.08Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 3.38Å
233R56.4Low71.9Confident189 Ų189108.1 Ų108.171%0.71351%0.511SS*.  trans-975.5-173.1-75.1-175.7179147.3-1.1114.6
234Y45.3Very low70.5Confident223 Ų223106.4 Ų106.488%0.87550%0.504SS*.  trans-140.90177.1-76.3-85.1000111.8F218F218-Y234 HydrophobicContact CE1-CD2 4.04Å; F218-Y234 HydrophobicContact CE2-CD2 4.44Å; F218-Y234 AromaticContact CZ-CD2 3.49Å; F218-Y234 HydrophobicContact CZ-CD2 3.49Å; F218-Y234 VanDerWaalsContact CZ-CD2 3.49Å; F218-Y234 AromaticContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CG 4.14Å

Retrieved 234 of 234 residues in 111.5 ms (Link to these results)