A0A096MS95_PAPAN Loading...

cAMP responsive element binding protein 1

AlphaFold DB (G7N8R8), UniProt , Accession A0A096MS95, Species PAPAN (Papio anubis, Olive baboon), Gene CREB1, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M37.3Very low36.2Very low236 Ų236159.1 Ų159.1100%1.16388%0.876SS**  080.70-69.3175.7170.300105.5
2T35.9Very low35.9Very low127 Ų127156.5 Ų156.578%0.77988%0.878SS**  67.988.278.5-38.10000109.8
3M34.9Very low35.5Very low172 Ų172150.2 Ų150.285%0.84787%0.869SS**  93.3123107.9-69.6-79.3-88.100111.8
4E35.7Very low35.4Very low200 Ų200151.1 Ų151.194%0.93587%0.869SS**  -167132.1119-161.4162.310300109.8
5S42.5Very low35.2Very low113 Ų113147.3 Ų147.379%0.7986%0.863SS**  trans-109.6132.9-176.6-164.70000108.1
6G35.4Very low35.1Very low79 Ų79143.8 Ų143.881%0.81486%0.856SS**  trans-77.6133.3171.800000111.4
7A40.2Very low34.9Very low100 Ų100143.5 Ų143.583%0.82686%0.855SS**  trans-135.4126.516600000108.9
8E35.4Very low34.8Very low203 Ų203143.4 Ų143.495%0.94986%0.856SS**PPolyproline II helixtrans-81.5153.2-178.3-64.8177129.500112
9N32.1Very low34.7Very low152 Ų152145.7 Ų145.781%0.81386%0.857SS**PPolyproline II helixtrans-92.6159.5-172.2-164.516.9000112.8
10Q34.8Very low34.6Very low176 Ų176143.2 Ų143.282%0.82285%0.854SS**PPolyproline II helixtrans-66.2151.8-176.3-81145.6500116.2
11Q34Very low34.4Very low192 Ų192145.3 Ų145.390%0.89786%0.855SS**  trans-153122.6140.8-157.1155.5-1.500114.2
12S32.3Very low34.2Very low128 Ų128141.9 Ų141.990%0.89584%0.841SS**  trans-0.5151.1162.1-69.30000126.4
13G31.7Very low34Very low74 Ų74144.4 Ų144.476%0.76384%0.844SS**  trans145.375.5141.200000113.8
14D33.5Very low33.8Very low163 Ų163145.3 Ų145.387%0.87285%0.847SS**  68.7115.190.7-157.511.5000116.7
15A32.8Very low33.3Very low94 Ų94143.9 Ų143.978%0.77784%0.842SS**  trans-167.497.1154.700000112.2
16A32.4Very low33Very low92 Ų92144.8 Ų144.876%0.7684%0.843SS**  trans53.9110.4138.600000121.2
17V32.7Very low32.9Very low138 Ų138147 Ų14784%0.83684%0.84SS**  trans-122.6125.1154.6-173.30000107.3
18T33Very low32.9Very low142 Ų142151.4 Ų151.487%0.87184%0.843SS**  trans-136.1115.9163.832.10000109.9
19E32.8Very low32.8Very low187 Ų187146.1 Ų146.187%0.87484%0.835SS**  trans-72146.8162.4-61.7177.8133.500109.8
20A32.3Very low32.9Very low96 Ų96146.5 Ų146.579%0.79383%0.832SS**  trans-166.7115.5145.200000112.1
21E31.1Very low33.1Very low188 Ų188143.7 Ų143.788%0.87983%0.828SS**  trans21.3131.8145.4-80.6173.29800123.1
22N32.4Very low33.1Very low163 Ų163143 Ų14387%0.87283%0.825SS**  trans-73.3114.1172.7-169.58.4000111.1
23Q31.5Very low33.3Very low181 Ų181144.4 Ų144.485%0.84682%0.821SS**  trans-117.9124.2167-94.3169.380.400111
24Q30.4Very low33.4Very low191 Ų191145.1 Ų145.189%0.89382%0.82SS**  trans-60.5123.2176.1-166.8172.124.800111.1
25M26.8Very low33.4Very low169 Ų169143.9 Ų143.983%0.83382%0.818SS**  trans-143.6113.4160-164.7156.255.100110.9
26T35.6Very low33.5Very low133 Ų133147.1 Ų147.182%0.81682%0.821SS**  trans-60.2122.5172.4-14.40000110.1
27V32.9Very low33.5Very low124 Ų124147 Ų14775%0.75282%0.821SS**  trans-131.1111.7158.8-175.10000109.1A29V27-A29 PolarHBondContact O-N 3.27Å
28Q40.2Very low33.6Very low193 Ų193149.2 Ų149.290%0.90282%0.822SS**  trans-64.4114.4170.5-173.1175.62100109.1
29A34.3Very low33.5Very low92 Ų92148.7 Ų148.776%0.7682%0.819SS**  trans-135.6111.2168.600000109.6V27V27-A29 PolarHBondContact O-N 3.27Å
30Q34Very low33.5Very low161 Ų161145.3 Ų145.375%0.75282%0.815SS**  trans-76.3128.4-179.1-165.6168.1-12.100109.1Q32Q30-Q32 PolarHBondContact O-N 3.45Å
31P37.5Very low33.6Very low116 Ų116148.1 Ų148.175%0.75381%0.814SS**  trans-79.4103.1169.530.1-28000108.3I33P31-I33 PolarHBondContact O-N 3.34Å
32Q35.3Very low34Very low179 Ų179145.1 Ų145.184%0.83681%0.811SS**  trans-71.7111.9165.3-72.9-175.7-19.300108.4Q30 A34Q30-Q32 PolarHBondContact O-N 3.45Å; Q32-A34 PolarHBondContact O-N 3.11Å
33I35.4Very low33.9Very low157 Ų157142.2 Ų142.281%0.80581%0.809SS**  trans-77.2113.2174.1-55.6173.7000107P31 T35P31-I33 PolarHBondContact O-N 3.34Å; I33-T35 PolarHBondContact O-N 3.39Å
34A33.4Very low33.9Very low89 Ų89138.3 Ų138.374%0.73681%0.808SS**  trans-71.6121.3173.100000110Q32 L36Q32-A34 PolarHBondContact O-N 3.11Å; A34-L36 PolarHBondContact O-N 3.13Å
35T34Very low34.1Very low136 Ų136138.4 Ų138.483%0.83481%0.808SS**  trans-70.6111.1176.1-40.10000109.9I33 A37I33-T35 PolarHBondContact O-N 3.39Å; T35-A37 PolarHBondContact O-N 3.34Å
36L34.9Very low34.3Very low162 Ų162135 Ų13585%0.84881%0.807SS**  trans-76.8100.3171-93.8147.9000109.6A34A34-L36 PolarHBondContact O-N 3.13Å
37A33.3Very low34.3Very low91 Ų91134.9 Ų134.975%0.75281%0.806SS**  trans-87.3103.216600000109.3T35T35-A37 PolarHBondContact O-N 3.34Å
38Q34.3Very low34.5Very low184 Ų184134.6 Ų134.686%0.8681%0.809SS**  trans-86.9109.3168-80.6-177.3-40.800109.4
39V32Very low34.8Very low131 Ų131131.3 Ų131.379%0.79481%0.808SS**  trans-97.8112.1163.9178.70000107.3
40S31.3Very low34.9Very low115 Ų115130.9 Ų130.980%0.80480%0.804SS**  trans-107.3114.1173.9-172.80000109.2
41M34.6Very low35.2Very low156 Ų156128.7 Ų128.777%0.76880%0.804SS**  trans-90144.7168.6-69.7-65.7-72.700109.8
42P38.9Very low35.4Very low125 Ų125129.7 Ų129.781%0.81281%0.808SS**  trans-85.9127.2176.933.6-28.5000109.4
43A30.9Very low35.6Very low101 Ų101125.4 Ų125.484%0.83579%0.794SS**  trans-127.4134.2166.200000110.2
44A31.4Very low36.2Very low99 Ų99122.6 Ų122.682%0.81878%0.784SS**  trans-67.6169-17000000114
45H35.5Very low36.7Very low194 Ų194124.4 Ų124.490%0.89878%0.781SS**  trans-39.1129.6177.5-74.434.4000114.6
46A30.1Very low37.3Very low97 Ų97122.1 Ų122.180%0.80277%0.767SS**  trans-176155.113100000111.1
47T36.8Very low37.5Very low131 Ų131121.2 Ų121.280%0.80476%0.758SS**  trans-54.5161.6-175.742.40000118.1
48S36.2Very low38.3Very low117 Ų117120.8 Ų120.882%0.81874%0.742SS**  trans101.4135.5150.4810000117.9A50S48-A50 PolarHBondContact O-N 3.02Å
49S46.9Very low38.9Very low125 Ų125119 Ų11987%0.87475%0.747SS**  trans-59.6121.5-175.855.60000113
50A36.9Very low39.7Very low82 Ų82118.5 Ų118.568%0.67874%0.74SS**  trans-141.9140.9158.500000109.6S48 T52S48-A50 PolarHBondContact O-N 3.02Å; A50-T52 PolarHBondContact O-N 3.45Å
51P40.4Very low40.7Very low116 Ų116115.6 Ų115.675%0.75373%0.728SS**  trans-67127.1176.827.3-32.4000110.2V53P51-V53 PolarHBondContact O-N 3.03Å
52T40.8Very low41Very low137 Ų137114.7 Ų114.784%0.8472%0.722SS**  trans-74.6107.5176.6-42.20000109.4A50A50-T52 PolarHBondContact O-N 3.45Å
53V40.5Very low41.4Very low88 Ų88112.7 Ų112.753%0.53371%0.708SS.*PPolyproline II helixtrans-88.4121172.6-177.40000108.3P51P51-V53 PolarHBondContact O-N 3.03Å
54T47.2Very low42Very low99 Ų99111.6 Ų111.661%0.60769%0.69SS**PPolyproline II helixtrans-94116.6173.1-52.80000108.5
55L42.8Very low42.6Very low126 Ų126114.8 Ų114.866%0.6669%0.688SS**PPolyproline II helixtrans-79.5123.3170-94.2104.3000109.5T63L55-T63 HydrophobicContact CD2-CG2 3.93Å
56V46.9Very low43.1Very low89 Ų89111 Ų11154%0.53968%0.678SS.*EExtended strand (participates in β ladder)trans-105.3120.8168.2-1790000108
57Q39.7Very low43.6Very low143 Ų143115.1 Ų115.167%0.66868%0.681SS**EExtended strand (participates in β ladder)trans-98.5116.7178.7-172.6134.5-7.600109.8
58L49.7Very low44Very low81 Ų81111.6 Ų111.642%0.42467%0.671SS.*  trans-83.3156.9174-75.490.5000111N60 G61L58-N60 WeakPolarHBondContact CB-OD1 3.29Å; L58-N60 PolarHBondContact O-N 3.49Å; L58-G61 PolarHBondContact O-N 3.43Å
59P47.3Very low44.3Very low146 Ų146113.1 Ų113.195%0.94868%0.675SS**THydrogen-bonded Turntrans-62.8-5.5-172.5-21.332.6000115.9
60N48.8Very low44Very low122 Ų122114.5 Ų114.565%0.65267%0.671SS**THydrogen-bonded Turntrans-106.611.117958-2.4000113.6L58 Q62L58-N60 WeakPolarHBondContact CB-OD1 3.29Å; L58-N60 PolarHBondContact O-N 3.49Å; N60-Q62 VanDerWaalsContact C-N 3.32Å; N60-Q62 PolarHBondContact O-N 3.37Å
61G52.2Low44.2Very low54 Ų54119.2 Ų119.256%0.55768%0.679SS**SBendtrans76.411.3170.400000115.7L58L58-G61 PolarHBondContact O-N 3.43Å
62Q41.8Very low44.3Very low137 Ų137117.1 Ų117.164%0.6467%0.672SS**  trans-97.7128175.6-149.3169.451.400110.4N60N60-Q62 VanDerWaalsContact C-N 3.32Å; N60-Q62 PolarHBondContact O-N 3.37Å
63T46.4Very low44.5Very low83 Ų83115.7 Ų115.751%0.50967%0.673SS.*EExtended strand (participates in β ladder)trans-93.4125.3178.652.60000110L55L55-T63 HydrophobicContact CD2-CG2 3.93Å
64V44.1Very low44.6Very low78 Ų78118.7 Ų118.747%0.47368%0.681SS.*EExtended strand (participates in β ladder)trans-113.5123.3175.4179.40000108.3V66V64-V66 HydrophobicContact CG1-CG2 3.81Å; V64-V66 PolarHBondContact O-N 3.11Å
65Q43.8Very low44.2Very low165 Ų165119.5 Ų119.577%0.77169%0.688SS**  trans-83.5110.5173.9-65-157.452.600109.4
66V46.2Very low44Very low115 Ų115118.9 Ų118.970%0.69770%0.695SS**  trans-112.4121.7175.3-168.40000108.7V64 G68V64-V66 HydrophobicContact CG1-CG2 3.81Å; V64-V66 PolarHBondContact O-N 3.11Å; V66-G68 PolarHBondContact O-N 2.88Å
67H40.6Very low43.6Very low183 Ų183120.1 Ų120.185%0.84770%0.702SS**  trans-71.494.2176.2-125.579.6000109.1V69H67-V69 PolarHBondContact O-N 2.94Å
68G45Very low43.6Very low58 Ų58120.4 Ų120.460%0.59871%0.707SS**  trans-74.2117.5179.100000111.7V66 I70V66-G68 PolarHBondContact O-N 2.88Å; G68-I70 PolarHBondContact O-N 3.17Å
69V42.9Very low42.7Very low149 Ų149124.9 Ų124.990%0.90373%0.726SS**  trans-7874.3164-174.30000107.9H67H67-V69 PolarHBondContact O-N 2.94Å
70I41.3Very low42.3Very low153 Ų153122.5 Ų122.579%0.78571%0.712SS**  trans-101.1101.2168-58-177.6000107G68 A72G68-I70 PolarHBondContact O-N 3.17Å; I70-A72 PolarHBondContact O-N 3.46Å; I70-A72 VanDerWaalsContact O-N 3.09Å
71Q39.5Very low41.9Very low181 Ų181122.6 Ų122.685%0.84672%0.719SS**  trans-69100.9169.1-168.6169.830.700107.7A73Q71-A73 PolarHBondContact O-N 3.17Å
72A42.4Very low41Very low73 Ų73128.6 Ų128.660%0.60373%0.733SS**  trans-54.8133.6165.500000108.4I70 Q74I70-A72 PolarHBondContact O-N 3.46Å; I70-A72 VanDerWaalsContact O-N 3.09Å; A72-Q74 PolarHBondContact O-N 3.11Å
73A44.8Very low40.5Very low106 Ų106128.4 Ų128.488%0.87674%0.741SS**  trans-59.296.8177.600000109.4Q71Q71-A73 PolarHBondContact O-N 3.17Å
74Q42.4Very low39.9Very low151 Ų151132.6 Ų132.671%0.70676%0.755SS**  trans-73.1140.1175.8-65-139.4-5.700109.4A72 S76A72-Q74 PolarHBondContact O-N 3.11Å; Q74-S76 PolarHBondContact O-N 3.44Å
75P40.3Very low39.5Very low116 Ų116134.8 Ų134.875%0.75377%0.769SS**  trans-63.4129.9165.428.5-31.3000108.2V77P75-V77 PolarHBondContact O-N 2.93Å
76S38.8Very low39Very low113 Ų113132.4 Ų132.479%0.7977%0.765SS**  trans-31.1113-179.9-51.60000114.7Q74 I78Q74-S76 PolarHBondContact O-N 3.44Å; S76-I78 PolarHBondContact O-N 3.32Å
77V38Very low38.8Very low115 Ų115136.1 Ų136.170%0.69778%0.775SS**  trans-86.189.8163-177.10000107.4P75 Q79P75-V77 PolarHBondContact O-N 2.93Å; V77-Q79 HydrophobicContact CG1-CB 4.49Å; V77-Q79 PolarHBondContact O-N 2.92Å
78I38.5Very low38.4Very low150 Ų150131.8 Ų131.877%0.76977%0.765SS**  trans-81.499.3157.8-65.1175.5000105.6S76 S80S76-I78 PolarHBondContact O-N 3.32Å; I78-S80 PolarHBondContact O-N 2.9Å
79Q32.3Very low38.1Very low175 Ų175134.3 Ų134.382%0.81877%0.774SS**  trans-71.1104.2171.9-161.2175.112.600107.9V77V77-Q79 HydrophobicContact CG1-CB 4.49Å; V77-Q79 PolarHBondContact O-N 2.92Å
80S39Very low37.8Very low95 Ų95132.9 Ų132.966%0.66477%0.769SS**PPolyproline II helixtrans-61133.7170.2-52.60000109.4I78 Q82I78-S80 PolarHBondContact O-N 2.9Å; S80-Q82 PolarHBondContact O-N 3.25Å
81P40.1Very low37.5Very low124 Ų124134 Ų13481%0.80577%0.768SS**PPolyproline II helixtrans-65.2129.2171.2-10.224.7000108.7V83P81-V83 PolarHBondContact O-N 2.9Å
82Q33.4Very low37.9Very low180 Ų180132.1 Ų132.184%0.84176%0.764SS**PPolyproline II helixtrans-64.4125.9173.8-63.2-178.2-11.300109.2S80 Q84S80-Q82 PolarHBondContact O-N 3.25Å; Q82-Q84 PolarHBondContact O-N 3.36Å; Q82-Q84 VanDerWaalsContact O-N 3.14Å
83V31.3Very low37.9Very low133 Ų133136.4 Ų136.481%0.80678%0.776SS**  trans-71.3102.4171.2179.90000107.7P81P81-V83 PolarHBondContact O-N 2.9Å
84Q33.8Very low37.6Very low171 Ų171141 Ų14180%0.79978%0.776SS**  trans-90.4104.1159.7-103.6171.5-0.100108.3Q82 V86Q82-Q84 PolarHBondContact O-N 3.36Å; Q82-Q84 VanDerWaalsContact O-N 3.14Å; Q84-V86 PolarHBondContact O-N 3.28Å
85T34.3Very low37.8Very low125 Ų125144.4 Ų144.477%0.76778%0.782SS**  trans-59.4102.2166.1-55.30000108.7
86V33.7Very low38.1Very low115 Ų115146.1 Ų146.170%0.69779%0.785SS**  trans-102.1100.8160.8-177.50000107.3Q84 S88Q84-V86 PolarHBondContact O-N 3.28Å; V86-S88 WeakPolarHBondContact CG1-OG 3.49Å; V86-S88 PolarHBondContact O-N 3.45Å; V86-S88 VanDerWaalsContact O-N 3.13Å
87Q41.5Very low38.4Very low192 Ų192150.6 Ų150.690%0.89779%0.79SS**  trans-68.892.2168.9-175.7-179.824.900108.5
88S33.3Very low38.5Very low93 Ų93151.3 Ų151.365%0.6580%0.8SS**  trans-148.7104.616643.80000112.3V86V86-S88 WeakPolarHBondContact CG1-OG 3.49Å; V86-S88 PolarHBondContact O-N 3.45Å; V86-S88 VanDerWaalsContact O-N 3.13Å
89S37.9Very low38.6Very low111 Ų111147.3 Ų147.378%0.77680%0.796SS**  trans55.377.2150-1530000118.8
90C36.8Very low38.9Very low119 Ų119145.4 Ų145.480%0.80480%0.797SS**  trans-98.892151.5-177.70000108.9
91K36.3Very low38.7Very low176 Ų176149.8 Ų149.877%0.76581%0.806SS**  trans-119.9-5.6166.8-84.4-173.7176.8175.90114.5
92D46.4Very low38.6Very low141 Ų141151.5 Ų151.575%0.75481%0.807SS**SBendtrans-118.116.6-167.7-69.7-48.6000117.5
93L42.3Very low38.5Very low164 Ų164147.2 Ų147.286%0.85980%0.797SS**SBendtrans-115.113.9172.8-12474.6000115.3
94K40.1Very low38.6Very low201 Ų201146.9 Ų146.987%0.87480%0.795SS**SBendtrans-97.116.7176.5-161.6145.3-174.9176.40114.2
95R46.3Very low38.6Very low223 Ų223146 Ų14684%0.84280%0.795SS**SBendtrans-133.425.9-172-128-170.7-69.5-1185.3116.5
96L47.2Very low39Very low153 Ų153143.8 Ų143.880%0.80179%0.789SS**SBendtrans-136.114.8175.2-142.976.9000116.8
97F43.5Very low39Very low207 Ų207147 Ų14791%0.90880%0.796SS**SBendtrans-134.717.3171.9-77.2-77000114.2G99F97-G99 VanDerWaalsContact C-N 3.31Å; F97-G99 PolarHBondContact O-N 2.91Å
98S40Very low39.3Very low129 Ų129143.3 Ų143.390%0.90279%0.792SS**  trans-92.358.2173-1660000111.1
99G42.1Very low39.7Very low66 Ų66145.6 Ų145.668%0.6879%0.792SS**  trans-167.240.3-172.300000115.7F97F97-G99 VanDerWaalsContact C-N 3.31Å; F97-G99 PolarHBondContact O-N 2.91Å
100T36.9Very low40.1Very low136 Ų136148.2 Ų148.283%0.83480%0.798SS**  trans-150.697.6156.9-390000109.6
101Q36.3Very low40.9Very low186 Ų186147.5 Ų147.587%0.86979%0.794SS**  trans-78122.8169.1-71.8-125.646.600109.4
102I36.8Very low41.7Very low161 Ų161144.5 Ų144.583%0.82678%0.783SS**  trans-138.3120144.6-57.5-176.7000108.7
103S32.4Very low41.8Very low90 Ų90146.8 Ų146.863%0.62979%0.788SS**  trans-28.1141.4172.7-71.80000121.4
104T32.6Very low42.3Very low125 Ų125143.2 Ų143.277%0.76778%0.778SS**  trans62.1133.9136.460.70000118
105I34.5Very low42.8Very low153 Ų153137.5 Ų137.579%0.78576%0.759SS**  -159.3119.251.1-58.2152.4000105.9
106A41.6Very low43.2Very low78 Ų78132.1 Ų132.165%0.64575%0.747SS**  62.1128.4109.100000117.4
107E35.1Very low43.6Very low182 Ų182128.5 Ų128.585%0.8573%0.734SS**  trans77.498.7153.1-57.4173.6167.400115.7
108S47.2Very low44.6Very low115 Ų115122.9 Ų122.980%0.80472%0.717SS**  53.6106.185.7-165.20000112.1
109E40.8Very low46.3Very low142 Ų142119.4 Ų119.466%0.66469%0.69SS**  trans-17499.3143.3-104.3-179.4166.900112.1S111E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 3.09Å
110D47.8Very low48.1Very low166 Ų166120.9 Ų120.989%0.88868%0.683SS**SBendtrans-76.883.1157.8-179.736.6000107.3
111S52.8Low50.3Low103 Ų103117.6 Ų117.672%0.7267%0.665SS**  trans169.970.2167.3-80.20000111.7E109E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 3.09Å
112Q52.6Low52.7Low114 Ų114115.2 Ų115.253%0.53365%0.654SS.*  trans-130.656.1-178.4-82.7169.75.200113.4V115Q112-V115 HydrophobicContact CB-CG2 4.06Å; Q112-V115 HydrophobicContact CG-CG2 4.06Å
113E49.6Very low55.3Low188 Ų188113 Ų11388%0.87964%0.639SS**SBendtrans-87-17.1169.9-39.1-81.4110.800112
114S51.4Low58.3Low90 Ų90116.4 Ų116.463%0.62964%0.637SS**SBendtrans-93.7-35.2-169.1178.90000114.1D116 S117S114-D116 PolarHBondContact O-N 3.16Å; S114-S117 PolarHBondContact O-OG 3.01Å
115V52.4Low61.1Low81 Ų81118.8 Ų118.849%0.49163%0.632SS.*Hα-helixtrans-73.2-27-173-630000113.7Q112 S117 V118 T119Q112-V115 HydrophobicContact CB-CG2 4.06Å; Q112-V115 HydrophobicContact CG-CG2 4.06Å; V115-S117 VanDerWaalsContact C-N 3.29Å; V115-S117 PolarHBondContact O-N 3.19Å; V115-V118 PolarHBondContact O-N 3.02Å; V115-T119 WeakPolarHBondContact O-CG2 3.46Å; V115-T119 PolarHBondContact O-N 3.22Å
116D54.3Low63.8Low110 Ų110117 Ų11759%0.58862%0.621SS**Hα-helixtrans-70.1-29.8-176.4-144.613.2000111.8S114 T119 D120S114-D116 PolarHBondContact O-N 3.16Å; D116-T119 PolarHBondContact O-N 3.38Å; D116-T119 PolarHBondContact O-OG1 2.8Å; D116-T119 PolarHBondContact OD1-OG1 2.94Å; D116-D120 PolarHBondContact O-N 3.23Å
117S56Low66.3Low76 Ų76118.5 Ų118.553%0.53162%0.617SS.*Hα-helixtrans-66.3-38.2177.872.40000113.4S114 V115 S121S114-S117 PolarHBondContact O-OG 3.01Å; V115-S117 VanDerWaalsContact C-N 3.29Å; V115-S117 PolarHBondContact O-N 3.19Å; S117-S121 WeakPolarHBondContact O-CB 3.49Å; S117-S121 PolarHBondContact O-N 3.4Å; S117-S121 VanDerWaalsContact O-N 3.07Å
118V63.3Low69.1Low90 Ų90111.4 Ų111.455%0.54559%0.585SS.*Hα-helixtrans-70.5-39.7176.6-1790000110V115 S121 Q122V115-V118 PolarHBondContact O-N 3.02Å; V118-S121 PolarHBondContact O-N 3.42Å; V118-Q122 WeakPolarHBondContact O-CB 3.37Å; V118-Q122 PolarHBondContact O-N 3.02Å
119T75.4Confident71.2Confident55 Ų55108.4 Ų108.434%0.33756%0.564SS.*Hα-helixtrans-69-35.517783.20000112.9V115 D116 Q122 K123V115-T119 WeakPolarHBondContact O-CG2 3.46Å; V115-T119 PolarHBondContact O-N 3.22Å; D116-T119 PolarHBondContact O-N 3.38Å; D116-T119 PolarHBondContact O-OG1 2.8Å; D116-T119 PolarHBondContact OD1-OG1 2.94Å; T119-Q122 PolarHBondContact O-N 3.17Å; T119-K123 WeakPolarHBondContact O-CB 3.22Å; T119-K123 VanDerWaalsContact O-CG 3.24Å; T119-K123 WeakPolarHBondContact O-CG 3.37Å; T119-K123 PolarHBondContact O-N 3.46Å
120D80.2Confident73.8Confident98 Ų98111 Ų11152%0.52457%0.568SS.*Hα-helixtrans-66.8-44.6175.2-167.1-7.6000110.9D116 Q122 K123 R124D116-D120 PolarHBondContact O-N 3.23Å; D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 2.98Å; D120-K123 PolarHBondContact O-N 3.04Å; D120-R124 VanDerWaalsContact O-CB 3.3Å; D120-R124 WeakPolarHBondContact O-CB 3.5Å; D120-R124 PolarHBondContact O-N 2.9Å
121S83.3Confident76.1Confident67 Ų67109.5 Ų109.547%0.46955%0.549SS..Hα-helixtrans-57.5-41.3174.4-172.20000112.1S117 V118 R125S117-S121 WeakPolarHBondContact O-CB 3.49Å; S117-S121 PolarHBondContact O-N 3.4Å; S117-S121 VanDerWaalsContact O-N 3.07Å; V118-S121 PolarHBondContact O-N 3.42Å; S121-R125 WeakPolarHBondContact O-CB 3.48Å; S121-R125 PolarHBondContact O-N 2.78Å
122Q87.2Confident78Confident135 Ų135109.9 Ų109.963%0.63155%0.549SS*.Hα-helixtrans-68-44.9177.5-161.1134.4-22.100112.1V118 T119 D120 R124 R125 E126V118-Q122 WeakPolarHBondContact O-CB 3.37Å; V118-Q122 PolarHBondContact O-N 3.02Å; T119-Q122 PolarHBondContact O-N 3.17Å; D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 2.98Å; Q122-R124 PolarHBondContact O-N 3.29Å; Q122-R125 PolarHBondContact O-N 3.25Å; Q122-E126 PolarHBondContact O-N 2.93Å
123K91.9Very high80Confident115 Ų115107.4 Ų107.450%0.555%0.545SS..Hα-helixtrans-61.9-41.7174.6-74.1166.4-176.1161.70111.7T119 D120 E126 I127T119-K123 WeakPolarHBondContact O-CB 3.22Å; T119-K123 VanDerWaalsContact O-CG 3.24Å; T119-K123 WeakPolarHBondContact O-CG 3.37Å; T119-K123 PolarHBondContact O-N 3.46Å; D120-K123 PolarHBondContact O-N 3.04Å; K123-E126 PolarHBondContact O-N 3.5Å; K123-I127 WeakPolarHBondContact O-CD1 3.39Å; K123-I127 WeakPolarHBondContact O-CG1 3.43Å; K123-I127 PolarHBondContact O-N 2.95Å
124R93.5Very high82.1Confident161 Ų161102.8 Ų102.861%0.60852%0.52SS*.Hα-helixtrans-63.5-42.4176.2-173.8177.8-177.6-82.20.5111.3D120 Q122 I127 L128D120-R124 VanDerWaalsContact O-CB 3.3Å; D120-R124 WeakPolarHBondContact O-CB 3.5Å; D120-R124 PolarHBondContact O-N 2.9Å; Q122-R124 PolarHBondContact O-N 3.29Å; R124-I127 PolarHBondContact O-N 3.4Å; R124-L128 HydrophobicContact CG-CD1 4.17Å; R124-L128 WeakPolarHBondContact O-CB 3.19Å; R124-L128 VanDerWaalsContact O-CG 3.25Å; R124-L128 WeakPolarHBondContact O-CG 3.33Å; R124-L128 PolarHBondContact O-N 3.37Å
125R91.6Very high84.1Confident175 Ų175106.9 Ų106.966%0.6652%0.521SS*.Hα-helixtrans-62.4-42.7175.6-172.5-177.4-64.8-135.70.8111.6S121 Q122 L128 S129S121-R125 WeakPolarHBondContact O-CB 3.48Å; S121-R125 PolarHBondContact O-N 2.78Å; Q122-R125 PolarHBondContact O-N 3.25Å; R125-L128 PolarHBondContact O-N 3.49Å; R125-S129 WeakPolarHBondContact O-CB 3.44Å; R125-S129 PolarHBondContact O-N 2.91Å; R125-S129 PolarHBondContact O-OG 3.23Å
126E92.6Very high86Confident115 Ų115109.7 Ų109.754%0.53753%0.527SS..Hα-helixtrans-65.5-43.5177.4-172-177.1176.400112.5Q122 K123 L128 S129 R130Q122-E126 PolarHBondContact O-N 2.93Å; K123-E126 PolarHBondContact O-N 3.5Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 2.96Å; E126-S129 PolarHBondContact O-N 2.97Å; E126-S129 PolarHBondContact O-OG 2.91Å; E126-R130 VanDerWaalsContact O-CG 3.3Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 3.31Å
127I94.1Very high87.9Confident111 Ų111109 Ų10957%0.56952%0.522SS*.Hα-helixtrans-63.8-39.5176.9-67.1163.3000110.6K123 R124 R131K123-I127 WeakPolarHBondContact O-CD1 3.39Å; K123-I127 WeakPolarHBondContact O-CG1 3.43Å; K123-I127 PolarHBondContact O-N 2.95Å; R124-I127 PolarHBondContact O-N 3.4Å; I127-R131 WeakPolarHBondContact O-CG 3.36Å
128L93.9Very high89.4Confident32 Ų32109.8 Ų109.817%0.16852%0.52CS..Hα-helixtrans-69-44.5177.3-71.7171.7000111.9R124 R125 E126 R130 R131 Y134R124-L128 HydrophobicContact CG-CD1 4.17Å; R124-L128 WeakPolarHBondContact O-CB 3.19Å; R124-L128 VanDerWaalsContact O-CG 3.25Å; R124-L128 WeakPolarHBondContact O-CG 3.33Å; R124-L128 PolarHBondContact O-N 3.37Å; R125-L128 PolarHBondContact O-N 3.49Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 2.96Å; L128-R130 PolarHBondContact O-N 3.14Å; L128-R131 WeakPolarHBondContact O-CB 3.47Å; L128-R131 PolarHBondContact O-N 3.23Å; L128-Y134 HydrophobicContact CB-CD1 4.19Å; L128-Y134 HydrophobicContact CB-CD2 4.17Å; L128-Y134 HydrophobicContact CB-CE1 4.29Å; L128-Y134 HydrophobicContact CB-CE2 4.29Å; L128-Y134 HydrophobicContact CB-CG 4.11Å; L128-Y134 WeakPolarHBondContact O-CB 3.24Å; L128-Y134 WeakPolarHBondContact O-CD1 3.38Å
129S91.6Very high90.5Very high52 Ų52110.2 Ų110.236%0.36452%0.52SS..Hα-helixtrans-65.8-23.3-17967.30000113.9R125 E126R125-S129 WeakPolarHBondContact O-CB 3.44Å; R125-S129 PolarHBondContact O-N 2.91Å; R125-S129 PolarHBondContact O-OG 3.23Å; E126-S129 PolarHBondContact O-N 2.97Å; E126-S129 PolarHBondContact O-OG 2.91Å
130R94.8Very high91.1Very high198 Ų198111.7 Ų111.775%0.74753%0.525SS*.THydrogen-bonded Turntrans-77-17.8172.1-68.3176.3110.4-143.92.2113.7E126 L128E126-R130 VanDerWaalsContact O-CG 3.3Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 3.31Å; L128-R130 PolarHBondContact O-N 3.14Å
131R96.1Very high91.4Very high133 Ų133113.1 Ų113.150%0.50253%0.532SS..SBendtrans-77.8132.1-177.7-70.4172.471.9173.72.8111.2I127 L128 S133 Y134 R135I127-R131 WeakPolarHBondContact O-CG 3.36Å; L128-R131 WeakPolarHBondContact O-CB 3.47Å; L128-R131 PolarHBondContact O-N 3.23Å; R131-S133 VanDerWaalsContact C-N 3.29Å; R131-S133 PolarHBondContact O-N 2.94Å; R131-Y134 PolarHBondContact O-N 3.25Å; R131-R135 PolarHBondContact O-N 3.32Å; R131-R135 VanDerWaalsContact O-N 3.09Å
132P91.9Very high91Very high111 Ų111114.4 Ų114.472%0.72154%0.541SS*.Hα-helixtrans-57.1-39.5179-25.132.9000113.5R135 K136P132-R135 PolarHBondContact O-N 3.05Å; P132-K136 WeakPolarHBondContact O-CB 3.32Å; P132-K136 PolarHBondContact O-N 2.86Å
133S94.1Very high89.9Confident63 Ų63112.1 Ų112.144%0.44154%0.54SS..Hα-helixtrans-66.3-38.1-179.461.10000113.3R131 K136 I137R131-S133 VanDerWaalsContact C-N 3.29Å; R131-S133 PolarHBondContact O-N 2.94Å; S133-K136 PolarHBondContact O-N 3.42Å; S133-I137 WeakPolarHBondContact O-CG1 3.48Å; S133-I137 PolarHBondContact O-N 2.89Å; S133-I137 VanDerWaalsContact O-N 3.14Å
134Y95.2Very high88.1Confident90 Ų90112.4 Ų112.435%0.35355%0.547SS..Hα-helixtrans-73.5-39.7178.4-173.6-95.1000110.8L128 R131 K136 I137 L138L128-Y134 HydrophobicContact CB-CD1 4.19Å; L128-Y134 HydrophobicContact CB-CD2 4.17Å; L128-Y134 HydrophobicContact CB-CE1 4.29Å; L128-Y134 HydrophobicContact CB-CE2 4.29Å; L128-Y134 HydrophobicContact CB-CG 4.11Å; L128-Y134 WeakPolarHBondContact O-CB 3.24Å; L128-Y134 WeakPolarHBondContact O-CD1 3.38Å; R131-Y134 PolarHBondContact O-N 3.25Å; Y134-K136 VanDerWaalsContact C-N 3.3Å; Y134-K136 PolarHBondContact O-N 3.12Å; Y134-I137 PolarHBondContact O-N 3.31Å; Y134-L138 WeakPolarHBondContact O-CB 3.45Å; Y134-L138 PolarHBondContact O-N 2.83Å
135R92.1Very high86.3Confident176 Ų176109.4 Ų109.466%0.66456%0.557SS**Hα-helixtrans-58.4-41.4169.4-102.1-165-167.8164.71.9112.5R131 P132 L138 N139R131-R135 PolarHBondContact O-N 3.32Å; R131-R135 VanDerWaalsContact O-N 3.09Å; P132-R135 PolarHBondContact O-N 3.05Å; R135-L138 PolarHBondContact O-N 2.89Å; R135-N139 VanDerWaalsContact O-CB 3.31Å; R135-N139 WeakPolarHBondContact O-CB 3.35Å; R135-N139 PolarHBondContact O-N 3.02Å
136K93.4Very high84.2Confident140 Ų140105.4 Ų105.461%0.60955%0.553SS**Hα-helixtrans-60.3-52.7178.9-168.8179.6179.1-175.60110.5P132 S133 Y134 L138 N139 D140P132-K136 WeakPolarHBondContact O-CB 3.32Å; P132-K136 PolarHBondContact O-N 2.86Å; S133-K136 PolarHBondContact O-N 3.42Å; Y134-K136 VanDerWaalsContact C-N 3.3Å; Y134-K136 PolarHBondContact O-N 3.12Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-L138 PolarHBondContact O-N 3.01Å; K136-N139 PolarHBondContact O-N 3.32Å; K136-N139 VanDerWaalsContact O-N 3.14Å; K136-D140 WeakPolarHBondContact O-CB 3.48Å; K136-D140 PolarHBondContact O-N 3.09Å
137I93.2Very high82Confident96 Ų96103 Ų10349%0.49256%0.56SS.*Hα-helixtrans-59.6-41.5177.1-62.6162.3000111.4S133 Y134 N139 D140 L141S133-I137 WeakPolarHBondContact O-CG1 3.48Å; S133-I137 PolarHBondContact O-N 2.89Å; S133-I137 VanDerWaalsContact O-N 3.14Å; Y134-I137 PolarHBondContact O-N 3.31Å; I137-N139 VanDerWaalsContact C-N 3.33Å; I137-N139 PolarHBondContact O-N 3.5Å; I137-D140 PolarHBondContact O-N 2.95Å; I137-L141 HydrophobicContact CG2-CD1 3.86Å; I137-L141 HydrophobicContact CG2-CG 4.29Å; I137-L141 WeakPolarHBondContact O-CB 3.37Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.43Å
138L88.1Confident79.7Confident93 Ų93104.4 Ų104.449%0.48757%0.573SS.*Hα-helixtrans-65.6-37.4179-167.670.8000112.3Y134 R135 K136 S142Y134-L138 WeakPolarHBondContact O-CB 3.45Å; Y134-L138 PolarHBondContact O-N 2.83Å; R135-L138 PolarHBondContact O-N 2.89Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-L138 PolarHBondContact O-N 3.01Å; L138-S142 WeakPolarHBondContact O-CB 3.46Å; L138-S142 PolarHBondContact O-N 3.07Å; L138-S142 PolarHBondContact O-OG 3.36Å
139N87Confident77.2Confident99 Ų99108.4 Ų108.453%0.52960%0.601SS.*Hα-helixtrans-71.5-42.8175.7-164.5-12000111.1R135 K136 I137 L141 S142 S143R135-N139 VanDerWaalsContact O-CB 3.31Å; R135-N139 WeakPolarHBondContact O-CB 3.35Å; R135-N139 PolarHBondContact O-N 3.02Å; K136-N139 PolarHBondContact O-N 3.32Å; K136-N139 VanDerWaalsContact O-N 3.14Å; I137-N139 VanDerWaalsContact C-N 3.33Å; I137-N139 PolarHBondContact O-N 3.5Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 3.26Å; N139-S142 CarbonylContact O-C 3.54Å; N139-S142 PolarHBondContact O-N 2.9Å; N139-S142 VanDerWaalsContact O-N 3.11Å; N139-S143 WeakPolarHBondContact O-CB 3.36Å; N139-S143 PolarHBondContact O-N 3.04Å; N139-S143 PolarHBondContact O-OG 3.35Å; N139-S143 PolarHBondContact OD1-OG 2.88Å
140D87.9Confident74.9Confident86 Ų86115.8 Ų115.846%0.4662%0.621SS.*Hα-helixtrans-59.5-44.5175.9-63.2-12.5000110.4K136 I137 S142 S143 D144K136-D140 WeakPolarHBondContact O-CB 3.48Å; K136-D140 PolarHBondContact O-N 3.09Å; I137-D140 PolarHBondContact O-N 2.95Å; D140-S142 VanDerWaalsContact C-N 3.34Å; D140-S142 PolarHBondContact O-N 2.81Å; D140-S143 PolarHBondContact O-N 3.38Å; D140-D144 VanDerWaalsContact O-CB 3.28Å; D140-D144 WeakPolarHBondContact O-CB 3.45Å; D140-D144 PolarHBondContact O-N 3.47Å
141L85.4Confident72.7Confident128 Ų128113.8 Ų113.867%0.6762%0.624SS**Hα-helixtrans-69.5-27.1175.1-69.4171.5000113.9I137 N139I137-L141 HydrophobicContact CG2-CD1 3.86Å; I137-L141 HydrophobicContact CG2-CG 4.29Å; I137-L141 WeakPolarHBondContact O-CB 3.37Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.43Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 3.26Å
142S74.6Confident70Confident94 Ų94114.6 Ų114.666%0.65763%0.633SS**Hα-helixtrans-84.4-22.6175.9-56.80000112.2L138 N139 D140L138-S142 WeakPolarHBondContact O-CB 3.46Å; L138-S142 PolarHBondContact O-N 3.07Å; L138-S142 PolarHBondContact O-OG 3.36Å; N139-S142 CarbonylContact O-C 3.54Å; N139-S142 PolarHBondContact O-N 2.9Å; N139-S142 VanDerWaalsContact O-N 3.11Å; D140-S142 VanDerWaalsContact C-N 3.34Å; D140-S142 PolarHBondContact O-N 2.81Å
143S65Low67.7Low87 Ų87117.8 Ų117.861%0.60864%0.639SS**Hα-helixtrans-95.6-19.3-178-59.70000112.7N139 D140 A145N139-S143 WeakPolarHBondContact O-CB 3.36Å; N139-S143 PolarHBondContact O-N 3.04Å; N139-S143 PolarHBondContact O-OG 3.35Å; N139-S143 PolarHBondContact OD1-OG 2.88Å; D140-S143 PolarHBondContact O-N 3.38Å; S143-A145 PolarHBondContact O-N 3.3Å
144D53.3Low65Low120 Ų120123.7 Ų123.764%0.64266%0.659SS**  trans-97.173177-158.442.3000111.1D140 P146D140-D144 VanDerWaalsContact O-CB 3.28Å; D140-D144 WeakPolarHBondContact O-CB 3.45Å; D140-D144 PolarHBondContact O-N 3.47Å; D144-P146 WeakPolarHBondContact OD1-CD 3.31Å; D144-P146 VanDerWaalsContact OD1-CG 3.23Å; D144-P146 WeakPolarHBondContact OD1-CG 3.47Å
145A55.4Low62Low98 Ų98128 Ų12881%0.8168%0.68SS**  trans-113.670154.600000110.5S143S143-A145 PolarHBondContact O-N 3.3Å
146P49.2Very low59.4Low91 Ų91124.3 Ų124.359%0.59168%0.681SS**  trans-86.3135.1150.634-26.4000108D144D144-P146 WeakPolarHBondContact OD1-CD 3.31Å; D144-P146 VanDerWaalsContact OD1-CG 3.23Å; D144-P146 WeakPolarHBondContact OD1-CG 3.47Å
147G46.3Very low56.7Low66 Ų66125.9 Ų125.968%0.6869%0.69SS**  trans-53.1146.8-176.400000113.1P149G147-P149 WeakPolarHBondContact O-CD 3.35Å
148V45.2Very low53.8Low139 Ų139129.8 Ų129.884%0.84271%0.707SS**  trans-29.6108.7162.2179.90000110.7R150V148-R150 PolarHBondContact O-N 2.98Å; V148-R150 VanDerWaalsContact O-N 3.08Å
149P42.3Very low51.4Low117 Ų117133.7 Ų133.776%0.7672%0.722SS**  trans-71.2107.2166.2-15.431.3000107.3G147 I151G147-P149 WeakPolarHBondContact O-CD 3.35Å; P149-I151 PolarHBondContact O-N 3.34Å
150R42.6Very low48.7Very low207 Ų207135 Ų13578%0.78173%0.734SS**  trans-51.9113.7164.3-171.5-176.1-171.3-172.8-0.6107.8V148 E152V148-R150 PolarHBondContact O-N 2.98Å; V148-R150 VanDerWaalsContact O-N 3.08Å; R150-E152 PolarHBondContact O-N 2.89Å; R150-E152 VanDerWaalsContact O-N 3.13Å
151I48.4Very low46.3Very low156 Ų156136.5 Ų136.580%0.875%0.751SS**  trans-66.9107172.2-61.2165000106.6P149P149-I151 PolarHBondContact O-N 3.34Å
152E39.8Very low43.8Very low149 Ų149134.8 Ų134.870%0.69676%0.755SS**  trans-98.3120.8155.3-73.6-176.1179.300106.8R150R150-E152 PolarHBondContact O-N 2.89Å; R150-E152 VanDerWaalsContact O-N 3.13Å
153E44.1Very low42.1Very low179 Ų179135.8 Ų135.884%0.83676%0.76SS**  trans-70.2120.7176.2-65.4178.1135.300109.8
154E36.5Very low40.6Very low187 Ų187136.3 Ų136.387%0.87477%0.769SS**  trans-138.2103.5156.1-81.6-159126.500111.5
155K32.8Very low39.9Very low180 Ų180137.7 Ų137.778%0.78378%0.775SS**  42.6114.9123.4-155.8171.8177.8-176.10119.7
156S37.8Very low39Very low99 Ų99139 Ų13969%0.69277%0.773SS**  trans-24.6135.6149.9-1.40000116.9
157E34.8Very low38.3Very low172 Ų172139.9 Ų139.980%0.80478%0.777SS**  174.7151.7115.2-92.2164.7-156.600112.5
158E33.6Very low37.7Very low179 Ų179142.5 Ų142.584%0.83678%0.78SS**  trans88.193.9153.2-140.2159.3162.600121.6
159E37.5Very low37.6Very low174 Ų174142 Ų14281%0.81378%0.777SS**  11.2120.5126.5-163.3172.6176.200118.6
160T30Very low37.9Very low126 Ų126141.8 Ų141.877%0.77377%0.773SS**  167.8123.7120.2-670000111.5
161S38.6Very low38.3Very low118 Ų118137.4 Ų137.483%0.82577%0.772SS**  trans63.8106.5155.3-162.10000119.9
162A31.1Very low38.9Very low92 Ų92133.3 Ų133.376%0.7675%0.754SS**  trans-131.8150.9157.100000109.6
163P38.7Very low40Very low115 Ų115129.4 Ų129.475%0.74774%0.742SS**  trans-85.1162-142.433.6-35.9000114.7I165P163-I165 PolarHBondContact O-N 2.93Å; P163-I165 VanDerWaalsContact O-N 3.14Å
164A34.5Very low41.3Very low98 Ų98126.2 Ų126.281%0.8173%0.729SS**  trans-48.2113.1175.500000112.6T166A164-T166 PolarHBondContact O-N 3.13Å
165I38.2Very low43Very low149 Ų149123.6 Ų123.676%0.76471%0.712SS**  trans-73.7107.8170.7-53.7172.8000106.8P163 T167P163-I165 PolarHBondContact O-N 2.93Å; P163-I165 VanDerWaalsContact O-N 3.14Å; I165-T167 HydrophobicContact CG2-CG2 4.21Å; I165-T167 PolarHBondContact O-N 3.42Å
166T36.4Very low44.8Very low125 Ų125120.5 Ų120.577%0.76770%0.701SS**  trans-70.297.2166.1-61.10000107.5A164 V168A164-T166 PolarHBondContact O-N 3.13Å; T166-V168 PolarHBondContact O-N 3.37Å; T166-V168 VanDerWaalsContact O-N 3.16Å
167T35Very low46.3Very low110 Ų110117.8 Ų117.868%0.67568%0.68SS**  trans-73.2102.1170.245.60000108.3I165 T169I165-T167 HydrophobicContact CG2-CG2 4.21Å; I165-T167 PolarHBondContact O-N 3.42Å; T167-T169 PolarHBondContact O-N 3.42Å
168V34.4Very low47.1Very low121 Ų121116.2 Ų116.273%0.73369%0.688SS**  trans-66.9100.9165.8178.80000106.9T166 V170T166-V168 PolarHBondContact O-N 3.37Å; T166-V168 VanDerWaalsContact O-N 3.16Å; V168-V170 PolarHBondContact O-N 2.98Å
169T42.8Very low48.7Very low129 Ų129111.8 Ų111.879%0.79168%0.677SS**  trans-67.899.1173-2.50000108.3T167T167-T169 PolarHBondContact O-N 3.42Å
170V47.9Very low50Low112 Ų112104.4 Ų104.468%0.67965%0.647SS**PPolyproline II helixtrans-68.5127.9171-174.40000107.7V168 T172V168-V170 PolarHBondContact O-N 2.98Å; V170-T172 PolarHBondContact O-N 3.3Å
171P52.2Low52Low116 Ų116101.4 Ų101.475%0.75362%0.624SS**PPolyproline II helixtrans-60.6123.9177-19.230.3000109.9
172T60.8Low53.5Low70 Ų70100.2 Ų100.243%0.42960%0.603SS.*PPolyproline II helixtrans-61.9125.5171.640.10000109.1V170 I174V170-T172 PolarHBondContact O-N 3.3Å; T172-I174 PolarHBondContact O-N 2.79Å
173P62Low55.6Low66 Ų6697.7 Ų97.743%0.42958%0.576SS.*PPolyproline II helixtrans-66.5130179.626.7-32.9000110.2Y175P173-Y175 HydrophobicContact CB-CE2 3.81Å; P173-Y175 HydrophobicContact CG-CE2 3.99Å
174I71.1Confident57.2Low113 Ų11393 Ų9358%0.57955%0.547SS*.EExtended strand (participates in β ladder)trans-106.9123.1178.1-55.8175.8000107.7T172 Y182 I183 A184T172-I174 PolarHBondContact O-N 2.79Å; I174-Y182 HydrophobicContact CG2-CD1 3.96Å; I174-Y182 HydrophobicContact CG2-CG 4.44Å; I174-I183 CarbonylContact C-O 3.56Å; I174-I183 WeakPolarHBondContact CA-O 3.49Å; I174-A184 HydrophobicContact CG1-CB 4.33Å
175Y72.1Confident59.1Low132 Ų13292 Ų9252%0.51853%0.527SS..EExtended strand (participates in β ladder)trans-109.2133.1179.5-58.1-84.4000109.8P173 I183 I185P173-Y175 HydrophobicContact CB-CE2 3.81Å; P173-Y175 HydrophobicContact CG-CE2 3.99Å; Y175-I183 PolarHBondContact N-O 2.9Å; Y175-I183 PolarHBondContact O-N 3.36Å; Y175-I185 HydrophobicContact CE2-CD1 4.5Å
176Q71.8Confident60.6Low114 Ų11486.8 Ų86.853%0.53350%0.502SS..EExtended strand (participates in β ladder)trans-101.9129.1176.4-164.8175.425.800110.1Q181 Y182Q176-Q181 WeakPolarHBondContact CA-O 3.44Å; Q176-Y182 HydrophobicContact CB-CD1 4.07Å; Q176-Y182 HydrophobicContact CB-CE1 4.07Å; Q176-Y182 HydrophobicContact CG-CD1 4Å; Q176-Y182 HydrophobicContact CG-CE1 3.79Å; Q176-Y182 PolarHBondContact NE2-OH 2.95Å; Q176-Y182 VanDerWaalsContact NE2-OH 3.11Å
177T68.7Low61.6Low43 Ų4390.4 Ų90.426%0.26451%0.51SS..  trans-79.3162.4174.167.60000110.8S179 G180 Q181 I183T177-S179 PolarHBondContact O-N 2.9Å; T177-S179 VanDerWaalsContact O-N 3.09Å; T177-S179 PolarHBondContact OG1-OG 2.92Å; T177-G180 PolarHBondContact O-N 2.86Å; T177-Q181 HydrophobicContact CG2-CB 4.49Å; T177-Q181 PolarHBondContact N-O 3.43Å; T177-Q181 WeakPolarHBondContact OG1-CB 3.46Å; T177-Q181 PolarHBondContact OG1-N 3.45Å; T177-Q181 PolarHBondContact OG1-O 3.16Å; T177-I183 HydrophobicContact CG2-CD1 3.49Å; T177-I183 VanDerWaalsContact CG2-CD1 3.49Å; T177-I183 HydrophobicContact CG2-CG1 4.19Å
178S51.8Low62.9Low139 Ų13988.4 Ų88.497%0.97251%0.512SS*.THydrogen-bonded Turntrans-61.5-16.1175.253.50000114
179S66.8Low64.5Low86 Ų8684.2 Ų84.260%0.60149%0.493SS*.THydrogen-bonded Turntrans-89.73.3172.9580000113.9T177T177-S179 PolarHBondContact O-N 2.9Å; T177-S179 VanDerWaalsContact O-N 3.09Å; T177-S179 PolarHBondContact OG1-OG 2.92Å
180G64.9Low65.4Low18 Ų1878.6 Ų78.619%0.18646%0.46CS..SBendtrans81.912.2177.200000115.2T177 N196T177-G180 PolarHBondContact O-N 2.86Å; G180-N196 PolarHBondContact O-ND2 2.82Å
181Q72.2Confident66.5Low63 Ų6375.8 Ų75.829%0.29444%0.44SS..  trans-82.5140.2174.6-63.4170.4-1.400110.3Q176 T177Q176-Q181 WeakPolarHBondContact CA-O 3.44Å; T177-Q181 HydrophobicContact CG2-CB 4.49Å; T177-Q181 PolarHBondContact N-O 3.43Å; T177-Q181 WeakPolarHBondContact OG1-CB 3.46Å; T177-Q181 PolarHBondContact OG1-N 3.45Å; T177-Q181 PolarHBondContact OG1-O 3.16Å
182Y70.5Confident67.4Low94 Ų9473.1 Ų73.137%0.36942%0.418SS..EExtended strand (participates in β ladder)trans-99.4128.7176.5-64.5-79.1000110.3I174 Q176 A194I174-Y182 HydrophobicContact CG2-CD1 3.96Å; I174-Y182 HydrophobicContact CG2-CG 4.44Å; Q176-Y182 HydrophobicContact CB-CD1 4.07Å; Q176-Y182 HydrophobicContact CB-CE1 4.07Å; Q176-Y182 HydrophobicContact CG-CD1 4Å; Q176-Y182 HydrophobicContact CG-CE1 3.79Å; Q176-Y182 PolarHBondContact NE2-OH 2.95Å; Q176-Y182 VanDerWaalsContact NE2-OH 3.11Å; Y182-A194 PolarHBondContact N-O 3.26Å; Y182-A194 PolarHBondContact O-N 2.88Å
183I75.6Confident67.9Low39 Ų3971.3 Ų71.320%0.241%0.405CS..EExtended strand (participates in β ladder)trans-115.7124.3-179.9-57173.8000108.5I174 Y175 T177 I191 Q192 L193I174-I183 CarbonylContact C-O 3.56Å; I174-I183 WeakPolarHBondContact CA-O 3.49Å; Y175-I183 PolarHBondContact N-O 2.9Å; Y175-I183 PolarHBondContact O-N 3.36Å; T177-I183 HydrophobicContact CG2-CD1 3.49Å; T177-I183 VanDerWaalsContact CG2-CD1 3.49Å; T177-I183 HydrophobicContact CG2-CG1 4.19Å; I183-I191 HydrophobicContact CG2-CG2 3.67Å; I183-Q192 WeakPolarHBondContact CA-O 3.41Å; I183-L193 HydrophobicContact CG1-CD2 4.31Å; I183-L193 HydrophobicContact CG1-CG 4.48Å
184A71.8Confident67.9Low16 Ų1669.7 Ų69.713%0.13240%0.397CS..EExtended strand (participates in β ladder)trans-118.4133.1171.900000110.4I174 Q192I174-A184 HydrophobicContact CG1-CB 4.33Å; A184-Q192 HydrophobicContact CB-CB 4.45Å; A184-Q192 PolarHBondContact N-O 3.3Å; A184-Q192 PolarHBondContact O-N 2.96Å
185I74.6Confident67.4Low76 Ų7669.1 Ų69.139%0.3940%0.395SS..EExtended strand (participates in β ladder)trans-104.3116.3175.5-55174.1000107.8Y175Y175-I185 HydrophobicContact CE2-CD1 4.5Å
186T69.7Low66.4Low41 Ų4168.7 Ų68.725%0.25240%0.402SS..  trans-75.9160.4177.867.60000110.8G188 G189 A190 Q192T186-G188 PolarHBondContact O-N 3.03Å; T186-G189 PolarHBondContact O-N 3.25Å; T186-A190 PolarHBondContact N-O 3.38Å; T186-A190 WeakPolarHBondContact OG1-CB 3.27Å; T186-A190 PolarHBondContact OG1-N 3.28Å; T186-A190 PolarHBondContact OG1-O 3Å; T186-Q192 HydrophobicContact CG2-CG 4.47Å
187Q57.8Low65.4Low200 Ų20066.2 Ų66.294%0.93541%0.407SS*.THydrogen-bonded Turntrans-58.2-19.9176-162.8174.533.200113
188G62.7Low64.4Low69 Ų6970.9 Ų70.971%0.71144%0.436SS*.THydrogen-bonded Turntrans-888.5173.100000115.3T186 A190T186-G188 PolarHBondContact O-N 3.03Å; G188-A190 VanDerWaalsContact C-N 3.27Å; G188-A190 PolarHBondContact O-N 3.4Å
189G66Low64.1Low32 Ų3272.1 Ų72.133%0.3343%0.432SS..SBendtrans74.310.8178.300000114.9T186T186-G189 PolarHBondContact O-N 3.25Å
190A61.7Low62.8Low12 Ų1270.8 Ų70.810%0.09943%0.431CS..  trans-79.5135.917300000110T186 G188 T206 L207T186-A190 PolarHBondContact N-O 3.38Å; T186-A190 WeakPolarHBondContact OG1-CB 3.27Å; T186-A190 PolarHBondContact OG1-N 3.28Å; T186-A190 PolarHBondContact OG1-O 3Å; G188-A190 VanDerWaalsContact C-N 3.27Å; G188-A190 PolarHBondContact O-N 3.4Å; A190-T206 HydrophobicContact CB-CG2 4.22Å; A190-L207 WeakPolarHBondContact CA-O 3.47Å
191I72.3Confident61.8Low53 Ų5377.2 Ų77.227%0.27247%0.466SS..EExtended strand (participates in β ladder)trans-100.2115.9179.1-56.3176.6000107.6I183 L193 L207I183-I191 HydrophobicContact CG2-CG2 3.67Å; I191-L193 HydrophobicContact CG2-CD1 4.09Å; I191-L193 HydrophobicContact CG2-CG 4.5Å; I191-L207 HydrophobicContact CB-CB 4.35Å; I191-L207 PolarHBondContact N-O 3.02Å; I191-L207 PolarHBondContact O-N 3.46Å
192Q70.4Confident60.5Low59 Ų5983.1 Ų83.128%0.27649%0.494SS..EExtended strand (participates in β ladder)trans-99.2121.7175-65.7178.188.800109.1I183 A184 T186 T206I183-Q192 WeakPolarHBondContact CA-O 3.41Å; A184-Q192 HydrophobicContact CB-CB 4.45Å; A184-Q192 PolarHBondContact N-O 3.3Å; A184-Q192 PolarHBondContact O-N 2.96Å; T186-Q192 HydrophobicContact CG2-CG 4.47Å; Q192-T206 HydrophobicContact CG-CG2 4.14Å
193L72.4Confident59.5Low32 Ų3280.6 Ų80.617%0.16850%0.497CS..EExtended strand (participates in β ladder)trans-104.9125.9172.2-62.6102.8000109.7I183 I191 Q205 L207I183-L193 HydrophobicContact CG1-CD2 4.31Å; I183-L193 HydrophobicContact CG1-CG 4.48Å; I191-L193 HydrophobicContact CG2-CD1 4.09Å; I191-L193 HydrophobicContact CG2-CG 4.5Å; L193-Q205 PolarHBondContact N-O 2.9Å; L193-Q205 PolarHBondContact O-N 3.44Å; L193-Q205 VanDerWaalsContact O-N 3.09Å; L193-L207 HydrophobicContact CD1-CD1 3.46Å; L193-L207 VanDerWaalsContact CD1-CD1 3.46Å; L193-L207 HydrophobicContact CD1-CG 4.11Å
194A61.8Low58.4Low32 Ų3284.5 Ų84.526%0.26452%0.517SS..EExtended strand (participates in β ladder)trans-114124.1171.500000109.7Y182Y182-A194 PolarHBondContact N-O 3.26Å; Y182-A194 PolarHBondContact O-N 2.88Å
195N59.4Low57.9Low101 Ų10188.6 Ų88.654%0.5453%0.534SS..  trans-89.9139.6176.2-71.423.1000110.1G197N195-G197 VanDerWaalsContact C-N 3.31Å; N195-G197 PolarHBondContact O-N 3.48Å
196N52.5Low56.8Low124 Ų12488.3 Ų88.366%0.66354%0.536SS*.  trans-74.882.4170.2-95-7.6000110G180G180-N196 PolarHBondContact O-ND2 2.82Å
197G50.4Low56.4Low62 Ų6287.2 Ų87.264%0.63953%0.528SS*.  trans-133.7117.1170.800000109.5N195N195-G197 VanDerWaalsContact C-N 3.31Å; N195-G197 PolarHBondContact O-N 3.48Å
198T47.2Very low56.3Low140 Ų14082 Ų8286%0.85951%0.51SS*.  trans-65.1139.9171.148.50000109.7
199D44.9Very low55.5Low166 Ų16681.5 Ų81.589%0.88849%0.49SS*.SBendtrans83.7109.1179.6-70.5-32.6000118.4
200G41Very low54.5Low57 Ų5785.4 Ų85.459%0.58851%0.508SS*.SBendtrans88.982.313900000118.1Q202G200-Q202 VanDerWaalsContact C-N 3.28Å; G200-Q202 PolarHBondContact O-N 2.96Å
201V43.9Very low53.6Low153 Ų15391.5 Ų91.593%0.92754%0.538SS*.SBendtrans63.2-3.2137.9-173.70000119.5
202Q44.7Very low51.8Low188 Ų18892.1 Ų92.188%0.87955%0.552SS**  trans-117.926.7-176.3-71.1-85.540.400115.3G200G200-Q202 VanDerWaalsContact C-N 3.28Å; G200-Q202 PolarHBondContact O-N 2.96Å
203G49.7Very low50.3Low41 Ų4194.6 Ų94.642%0.42358%0.582SS.*  trans-116.35.1-16100000119.5
204L52.8Low48.7Very low120 Ų12096.4 Ų96.463%0.62860%0.602SS**EExtended strand (participates in β ladder)trans-108.297.6175.5-103.880.7000110.2T206L204-T206 PolarHBondContact O-N 3.32Å
205Q59.4Low47.6Very low102 Ų102101.9 Ų101.948%0.47763%0.632SS.*EExtended strand (participates in β ladder)trans-86.7104.3171.9-168.7150.86900109L193L193-Q205 PolarHBondContact N-O 2.9Å; L193-Q205 PolarHBondContact O-N 3.44Å; L193-Q205 VanDerWaalsContact O-N 3.09Å
206T52Low46.5Very low71 Ų71105.1 Ų105.144%0.43664%0.644SS.*EExtended strand (participates in β ladder)trans-91.6102.5175.4-59.30000109.5A190 Q192 L204 T208A190-T206 HydrophobicContact CB-CG2 4.22Å; Q192-T206 HydrophobicContact CG-CG2 4.14Å; L204-T206 PolarHBondContact O-N 3.32Å; T206-T208 PolarHBondContact O-N 3.07Å
207L61.6Low45.9Very low18 Ų18105.6 Ų105.69%0.09465%0.654CS.*EExtended strand (participates in β ladder)trans-83.499.4171.5-65166.7000108.4A190 I191 L193 M209 P236A190-L207 WeakPolarHBondContact CA-O 3.47Å; I191-L207 HydrophobicContact CB-CB 4.35Å; I191-L207 PolarHBondContact N-O 3.02Å; I191-L207 PolarHBondContact O-N 3.46Å; L193-L207 HydrophobicContact CD1-CD1 3.46Å; L193-L207 VanDerWaalsContact CD1-CD1 3.46Å; L193-L207 HydrophobicContact CD1-CG 4.11Å; L207-M209 PolarHBondContact O-N 3.49Å; L207-P236 HydrophobicContact CD2-CG 3.85Å
208T55Low45.6Very low90 Ų90105.6 Ų105.655%0.55265%0.654SS**  trans-79.4113.7173.5-57.60000109.1T206 T210T206-T208 PolarHBondContact O-N 3.07Å; T208-T210 PolarHBondContact O-N 3.17Å
209M46.4Very low45.4Very low58 Ų58105 Ų10529%0.28665%0.65SS.*  trans-7997.8170-64.3-72.788.200108.3L207 N211 T220L207-M209 PolarHBondContact O-N 3.49Å; M209-N211 PolarHBondContact O-N 3Å; M209-T220 HydrophobicContact CE-CG2 4.12Å; M209-T220 HydrophobicContact SD-CG2 4.09Å
210T44.2Very low45.7Very low115 Ų115101.2 Ų101.271%0.70663%0.633SS**  trans-71.780.1173.1-510000109.4T208 A212T208-T210 PolarHBondContact O-N 3.17Å; T210-A212 HydrophobicContact CG2-CB 4.07Å; T210-A212 PolarHBondContact O-N 3.01Å
211N44.1Very low46.3Very low139 Ų139103.6 Ų103.674%0.74363%0.631SS**  trans-85.473.6154.7-164.231.2000106.9M209 A213M209-N211 PolarHBondContact O-N 3Å; N211-A213 PolarHBondContact O-N 3.4Å
212A34.9Very low47.1Very low67 Ų6799.6 Ų99.655%0.55460%0.604SS**  trans-58.7126.7164.900000106.4T210 A214T210-A212 HydrophobicContact CG2-CB 4.07Å; T210-A212 PolarHBondContact O-N 3.01Å; A212-A214 VanDerWaalsContact C-N 3.27Å; A212-A214 PolarHBondContact O-N 3.47Å
213A38.3Very low47.7Very low110 Ų11096.1 Ų96.191%0.90959%0.588SS**SBendtrans-53.287-17800000111.7N211N211-A213 PolarHBondContact O-N 3.4Å
214A37.8Very low48Very low70 Ų70102 Ų10258%0.57960%0.598SS**  trans-154.8105.3170.400000107.1A212 Q216A212-A214 VanDerWaalsContact C-N 3.27Å; A212-A214 PolarHBondContact O-N 3.47Å; A214-Q216 PolarHBondContact O-N 3.25Å
215T38.9Very low48.2Very low147 Ų14797.7 Ų97.790%0.90258%0.581SS**SBendtrans-11.189.5158.732.40000115.2
216Q37.1Very low47.7Very low169 Ų16999.7 Ų99.779%0.7959%0.59SS**  trans-163.9132.4147.6-81.5-125.529.100110.6A214 G218A214-Q216 PolarHBondContact O-N 3.25Å; Q216-G218 PolarHBondContact O-N 3.47Å; Q216-G218 VanDerWaalsContact O-N 3.11Å
217P39.8Very low48.2Very low134 Ų13497 Ų9787%0.8757%0.574SS**  trans-84.581.1173.533.9-29000109.1
218G44.8Very low47.6Very low62 Ų62101.5 Ų101.564%0.63960%0.602SS**  trans-102.3117.1168.900000110.1Q216 T220Q216-G218 PolarHBondContact O-N 3.47Å; Q216-G218 VanDerWaalsContact O-N 3.11Å; G218-T220 PolarHBondContact O-N 3.39Å
219T42.9Very low47.9Very low127 Ų127103.3 Ų103.378%0.77961%0.608SS**  trans-62.8121171.149.10000109.3I221T219-I221 PolarHBondContact O-N 3.23Å
220T50.6Low48.4Very low87 Ų87102.5 Ų102.553%0.53461%0.614SS.*  trans-68.2113.9171.7-65.90000108.2M209 G218M209-T220 HydrophobicContact CE-CG2 4.12Å; M209-T220 HydrophobicContact SD-CG2 4.09Å; G218-T220 PolarHBondContact O-N 3.39Å
221I52.9Low49Very low107 Ų107103.5 Ų103.555%0.54961%0.611SS.*PPolyproline II helixtrans-82.5129.1175.8-57.4-178.6000107.4T219 S237T219-I221 PolarHBondContact O-N 3.23Å; I221-S237 WeakPolarHBondContact O-CB 3.4Å; I221-S237 PolarHBondContact O-N 3.46Å; I221-S237 VanDerWaalsContact O-N 3.15Å
222L62Low49.7Very low69 Ų69103.3 Ų103.336%0.36161%0.606SS.*EExtended strand (participates in β ladder)trans-92.4122.5173.4-64.3169.1000107.7L234L222-L234 HydrophobicContact CB-CD1 3.69Å; L222-L234 HydrophobicContact CB-CD2 4.25Å; L222-L234 HydrophobicContact CB-CG 3.88Å; L222-L234 HydrophobicContact CD1-CD2 3.74Å; L222-L234 HydrophobicContact CD1-CG 4.25Å; L222-L234 HydrophobicContact CD2-CG 4.35Å; L222-L234 HydrophobicContact CG-CD2 4.39Å; L222-L234 HydrophobicContact CG-CG 4.37Å
223Q55.9Low51.1Low116 Ų116102.6 Ų102.654%0.54259%0.592SS.*EExtended strand (participates in β ladder)trans-93.3125.9179.1-165.98651.300108.6A225 V235Q223-A225 PolarHBondContact O-N 3.33Å; Q223-V235 PolarHBondContact N-O 3.35Å; Q223-V235 PolarHBondContact O-N 3.49Å
224Y57Low52.3Low163 Ų16399.5 Ų99.564%0.63956%0.56SS**EExtended strand (participates in β ladder)trans-80.2117.5171-69.6-95.4000108.5L234Y224-L234 HydrophobicContact CD1-CD1 3.86Å; Y224-L234 HydrophobicContact CD2-CD1 4.04Å; Y224-L234 HydrophobicContact CE1-CD1 3.7Å; Y224-L234 HydrophobicContact CE2-CD1 3.88Å; Y224-L234 HydrophobicContact CG-CD1 4.03Å
225A56.2Low53.6Low31 Ų3196.5 Ų96.526%0.25654%0.535SS..EExtended strand (participates in β ladder)trans-111118.4169.300000108.3Q223 I233 V235Q223-A225 PolarHBondContact O-N 3.33Å; A225-I233 PolarHBondContact N-O 3Å; A225-I233 PolarHBondContact O-N 2.94Å; A225-V235 HydrophobicContact CB-CG2 4.12Å
226Q50Low54.7Low143 Ų14390.1 Ų90.167%0.66850%0.496SS*.EExtended strand (participates in β ladder)trans-92.7118.8177.1-175.8172.7-6.800108.5
227T60.9Low55.7Low15 Ų1585.2 Ų85.29%0.09248%0.48CS..  trans-73.3162.217467.40000110.2D229 G230 Q231 I233T227-D229 PolarHBondContact O-N 2.84Å; T227-G230 PolarHBondContact O-N 3.22Å; T227-Q231 PolarHBondContact N-O 2.88Å; T227-Q231 PolarHBondContact OG1-O 3.45Å; T227-I233 HydrophobicContact CG2-CD1 3.62Å; T227-I233 HydrophobicContact CG2-CG1 4.21Å
228T50.3Low56.9Low113 Ų11381.8 Ų81.869%0.69345%0.454SS*.THydrogen-bonded Turntrans-57.4-19.4178.949.70000113.9G230 Q243T228-G230 VanDerWaalsContact C-N 3.29Å; T228-Q243 PolarHBondContact OG1-NE2 2.82Å
229D59.8Low57.7Low128 Ų12881.9 Ų81.968%0.68444%0.438SS*.THydrogen-bonded Turntrans-91.67-178.1-44.7-31000111.9T227 Q231T227-D229 PolarHBondContact O-N 2.84Å; D229-Q231 VanDerWaalsContact C-N 3.26Å; D229-Q231 PolarHBondContact O-N 2.86Å
230G57.7Low58.5Low40 Ų4079 Ų7941%0.41242%0.42SS..SBendtrans80.10.6179.700000114.7T227 T228T227-G230 PolarHBondContact O-N 3.22Å; T228-G230 VanDerWaalsContact C-N 3.29Å
231Q57.8Low59.1Low137 Ų13776.9 Ų76.964%0.6441%0.407SS*.  trans-77.6130.3177.4-66.8-71.916.500110.6T227 D229T227-Q231 PolarHBondContact N-O 2.88Å; T227-Q231 PolarHBondContact OG1-O 3.45Å; D229-Q231 VanDerWaalsContact C-N 3.26Å; D229-Q231 PolarHBondContact O-N 2.86Å
232Q57Low59.4Low134 Ų13475.5 Ų75.563%0.62640%0.403SS*.EExtended strand (participates in β ladder)trans-92.5117178.8-62.7-177.310.800109.2
233I65.3Low59.1Low52 Ų5275.1 Ų75.127%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-105.9130.8175.9-59177.3000108.4A225 T227 V235A225-I233 PolarHBondContact N-O 3Å; A225-I233 PolarHBondContact O-N 2.94Å; T227-I233 HydrophobicContact CG2-CD1 3.62Å; T227-I233 HydrophobicContact CG2-CG1 4.21Å; I233-V235 HydrophobicContact CG2-CG2 3.9Å
234L64Low59Low45 Ų4571.9 Ų71.924%0.23639%0.393CS..EExtended strand (participates in β ladder)trans-93.8107179.1-16060.5000109.4L222 Y224L222-L234 HydrophobicContact CB-CD1 3.69Å; L222-L234 HydrophobicContact CB-CD2 4.25Å; L222-L234 HydrophobicContact CB-CG 3.88Å; L222-L234 HydrophobicContact CD1-CD2 3.74Å; L222-L234 HydrophobicContact CD1-CG 4.25Å; L222-L234 HydrophobicContact CD2-CG 4.35Å; L222-L234 HydrophobicContact CG-CD2 4.39Å; L222-L234 HydrophobicContact CG-CG 4.37Å; Y224-L234 HydrophobicContact CD1-CD1 3.86Å; Y224-L234 HydrophobicContact CD2-CD1 4.04Å; Y224-L234 HydrophobicContact CE1-CD1 3.7Å; Y224-L234 HydrophobicContact CE2-CD1 3.88Å; Y224-L234 HydrophobicContact CG-CD1 4.03Å
235V64.4Low58.6Low8 Ų870 Ų705%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-106.4128-172.9-171.20000108.9Q223 A225 I233 S237 Q239 V241Q223-V235 PolarHBondContact N-O 3.35Å; Q223-V235 PolarHBondContact O-N 3.49Å; A225-V235 HydrophobicContact CB-CG2 4.12Å; I233-V235 HydrophobicContact CG2-CG2 3.9Å; V235-S237 PolarHBondContact O-N 3.23Å; V235-Q239 HydrophobicContact CG1-CB 3.51Å; V235-Q239 WeakPolarHBondContact CG1-O 3.47Å; V235-V241 HydrophobicContact CG1-CG2 4.23Å; V235-V241 HydrophobicContact CG2-CG2 3.6Å
236P61.7Low58.5Low13 Ų1372.8 Ų72.88%0.08443%0.429CS..EExtended strand (participates in β ladder)trans-55.7137.6170.7-24.334.5000110.5L207 N238 Q239L207-P236 HydrophobicContact CD2-CG 3.85Å; P236-N238 WeakPolarHBondContact CB-OD1 3.41Å; P236-N238 PolarHBondContact O-N 2.94Å; P236-Q239 PolarHBondContact O-N 3.38Å
237S59.3Low58.8Low65 Ų6568.1 Ų68.146%0.45542%0.418SS..THydrogen-bonded Turntrans-56.6-8.7-174.8176.20000115.7I221 V235I221-S237 WeakPolarHBondContact O-CB 3.4Å; I221-S237 PolarHBondContact O-N 3.46Å; I221-S237 VanDerWaalsContact O-N 3.15Å; V235-S237 PolarHBondContact O-N 3.23Å
238N64.9Low58.5Low63 Ų6372.3 Ų72.334%0.33744%0.44SS..THydrogen-bonded Turntrans-92.76.4173.467.1-4.2000114P236 I254P236-N238 WeakPolarHBondContact CB-OD1 3.41Å; P236-N238 PolarHBondContact O-N 2.94Å; N238-I254 PolarHBondContact O-N 3.09Å
239Q60.4Low58.7Low64 Ų6469.8 Ų69.830%0.29943%0.425SS..EExtended strand (participates in β ladder)trans-125.1140.5177.5-68.5178.322.800110.2V235 P236 T251 Y252 Q253V235-Q239 HydrophobicContact CG1-CB 3.51Å; V235-Q239 WeakPolarHBondContact CG1-O 3.47Å; P236-Q239 PolarHBondContact O-N 3.38Å; Q239-T251 PolarHBondContact OE1-OG1 3.43Å; Q239-Y252 CarbonylContact C-O 3.6Å; Q239-Y252 WeakPolarHBondContact CA-O 3.46Å; Q239-Q253 HydrophobicContact CG-CB 4.33Å; Q239-Q253 HydrophobicContact CG-CG 4.23Å
240V59.3Low58.7Low67 Ų6768.8 Ų68.841%0.40642%0.416SS..EExtended strand (participates in β ladder)trans-115.7126.6175.4175.80000107.8V242 Y252 I254V240-V242 HydrophobicContact CG1-CG2 3.99Å; V240-Y252 PolarHBondContact N-O 3.35Å; V240-Y252 PolarHBondContact O-N 3Å; V240-I254 HydrophobicContact CG2-CD1 3.52Å; V240-I254 HydrophobicContact CG2-CG1 3.78Å
241V64Low58.5Low41 Ų4170.7 Ų70.725%0.24842%0.419CS..EExtended strand (participates in β ladder)trans-90121.3172.7174.50000108.2V235 V249V235-V241 HydrophobicContact CG1-CG2 4.23Å; V235-V241 HydrophobicContact CG2-CG2 3.6Å; V241-V249 HydrophobicContact CG1-CG1 3.27Å
242V59.8Low58.5Low78 Ų7870.9 Ų70.947%0.47342%0.416SS..EExtended strand (participates in β ladder)trans-113.4119174-176.90000107.5V240 Q250 Y252V240-V242 HydrophobicContact CG1-CG2 3.99Å; V242-Q250 PolarHBondContact N-O 3.45Å; V242-Q250 PolarHBondContact O-N 3.33Å; V242-Q250 VanDerWaalsContact O-N 3.14Å; V242-Y252 HydrophobicContact CB-CD2 4.06Å; V242-Y252 HydrophobicContact CB-CE2 3.97Å; V242-Y252 HydrophobicContact CG2-CD2 3.87Å; V242-Y252 HydrophobicContact CG2-CE2 4.21Å
243Q56.3Low58.5Low62 Ų6270.7 Ų70.729%0.2941%0.414SS..EExtended strand (participates in β ladder)trans-92.9118.7177.2-167.1150.311.400109.5T228 G247 V249T228-Q243 PolarHBondContact OG1-NE2 2.82Å; Q243-G247 PolarHBondContact NE2-O 2.8Å; Q243-V249 HydrophobicContact CG-CG2 4.17Å
244A53.5Low58Low48 Ų4872.1 Ų72.140%0.39742%0.422SS..  trans-74.8155.5176.300000110.4S246 G247 D248A244-S246 PolarHBondContact O-N 2.95Å; A244-G247 PolarHBondContact O-N 3.4Å; A244-D248 PolarHBondContact N-O 3.14Å
245A47.2Very low57.3Low122 Ų12281.1 Ų81.1100%1.00845%0.453SS*.THydrogen-bonded Turntrans-61.5-10.6179.700000114.3G247A245-G247 VanDerWaalsContact C-N 3.35Å
246S55.2Low56.5Low91 Ų9186.3 Ų86.364%0.63648%0.484SS*.THydrogen-bonded Turntrans-84.4-2.1172.662.90000114.3A244 D248A244-S246 PolarHBondContact O-N 2.95Å; S246-D248 VanDerWaalsContact C-N 3.32Å
247G55.7Low55.4Low44 Ų4489.5 Ų89.545%0.45451%0.512SS..SBendtrans89-10.9-175.900000114.3Q243 A244 A245 V249Q243-G247 PolarHBondContact NE2-O 2.8Å; A244-G247 PolarHBondContact O-N 3.4Å; A245-G247 VanDerWaalsContact C-N 3.35Å; G247-V249 PolarHBondContact O-N 3.44Å
248D54.3Low54.5Low103 Ų10391.7 Ų91.755%0.55153%0.525SS*.  trans-70122.8177.4-76.5-36.7000111.4A244 S246A244-D248 PolarHBondContact N-O 3.14Å; S246-D248 VanDerWaalsContact C-N 3.32Å
249V56Low53.6Low60 Ų6095.7 Ų95.736%0.36455%0.551SS.*EExtended strand (participates in β ladder)trans-91.5114.3178.5-176.10000108.4V241 Q243 G247V241-V249 HydrophobicContact CG1-CG1 3.27Å; Q243-V249 HydrophobicContact CG-CG2 4.17Å; G247-V249 PolarHBondContact O-N 3.44Å
250Q58.1Low53Low107 Ų10797.2 Ų97.250%0.557%0.569SS.*EExtended strand (participates in β ladder)trans-112.6129.9176.3-68.3-68.9-9.700110.3V242 Y252V242-Q250 PolarHBondContact N-O 3.45Å; V242-Q250 PolarHBondContact O-N 3.33Å; V242-Q250 VanDerWaalsContact O-N 3.14Å; Q250-Y252 HydrophobicContact CB-CD2 4.42Å; Q250-Y252 HydrophobicContact CB-CE2 3.68Å
251T55.2Low52Low80 Ų80100.9 Ų100.949%0.49159%0.592SS.*EExtended strand (participates in β ladder)trans-94.9121.8175.3-176.80000110Q239Q239-T251 PolarHBondContact OE1-OG1 3.43Å
252Y56.6Low50.9Low142 Ų142106.7 Ų106.756%0.55762%0.62SS**EExtended strand (participates in β ladder)trans-107.2122.9176.5-66.4-86.6000109.2Q239 V240 V242 Q250 I254Q239-Y252 CarbonylContact C-O 3.6Å; Q239-Y252 WeakPolarHBondContact CA-O 3.46Å; V240-Y252 PolarHBondContact N-O 3.35Å; V240-Y252 PolarHBondContact O-N 3Å; V242-Y252 HydrophobicContact CB-CD2 4.06Å; V242-Y252 HydrophobicContact CB-CE2 3.97Å; V242-Y252 HydrophobicContact CG2-CD2 3.87Å; V242-Y252 HydrophobicContact CG2-CE2 4.21Å; Q250-Y252 HydrophobicContact CB-CD2 4.42Å; Q250-Y252 HydrophobicContact CB-CE2 3.68Å; Y252-I254 PolarHBondContact O-N 2.95Å
253Q56.3Low50.1Low129 Ų129107 Ų10760%0.60363%0.631SS**EExtended strand (participates in β ladder)trans-78.1120175.4-167.7172.722.100109.9Q239 R255Q239-Q253 HydrophobicContact CG-CB 4.33Å; Q239-Q253 HydrophobicContact CG-CG 4.23Å; Q253-R255 PolarHBondContact O-N 3Å
254I54.7Low49.5Very low83 Ų83110 Ų11043%0.42666%0.656SS.*  trans-68.6102.8167.8-56.1175.6000106.4N238 V240 Y252 T256N238-I254 PolarHBondContact O-N 3.09Å; V240-I254 HydrophobicContact CG2-CD1 3.52Å; V240-I254 HydrophobicContact CG2-CG1 3.78Å; Y252-I254 PolarHBondContact O-N 2.95Å; I254-T256 VanDerWaalsContact C-N 3.28Å; I254-T256 HydrophobicContact CG2-CG2 4.16Å; I254-T256 PolarHBondContact O-N 3.22Å
255R50.7Low49Very low234 Ų234111 Ų11188%0.88367%0.67SS**  trans-67.492.3162.6-82.8-174.9178.1-126.60.8107.8Q253 A257Q253-R255 PolarHBondContact O-N 3Å; R255-A257 PolarHBondContact O-N 3.25Å; R255-A257 VanDerWaalsContact O-N 3.13Å
256T47Very low49Very low116 Ų116111.5 Ų111.571%0.71266%0.661SS**  trans-69.7103.1155.843.50000106.3I254I254-T256 VanDerWaalsContact C-N 3.28Å; I254-T256 HydrophobicContact CG2-CG2 4.16Å; I254-T256 PolarHBondContact O-N 3.22Å
257A38.8Very low48.5Very low80 Ų80114 Ų11466%0.66167%0.671SS**  trans-57.1132.2173.200000108.3R255 T259R255-A257 PolarHBondContact O-N 3.25Å; R255-A257 VanDerWaalsContact O-N 3.13Å; A257-T259 PolarHBondContact O-N 3.18Å
258P39.9Very low48Very low112 Ų112120.5 Ų120.573%0.72769%0.692SS**  trans-60.7128.3164.726.7-30.7000106.6S260P258-S260 PolarHBondContact O-N 3.27Å
259T46.6Very low47.6Very low146 Ų146119.9 Ų119.990%0.89670%0.702SS**SBendtrans-64.685.9164.7-61.50000107.5A257A257-T259 PolarHBondContact O-N 3.18Å
260S48.1Very low46.9Very low96 Ų96122.5 Ų122.567%0.67172%0.723SS**  trans-171.5140.1157.7-83.50000108.8P258P258-S260 PolarHBondContact O-N 3.27Å
261T38.3Very low46Very low144 Ų144122.9 Ų122.988%0.88374%0.737SS**  trans73.568.3-176.872.40000115.4A263T261-A263 PolarHBondContact O-N 3.15Å
262I40.8Very low45.5Very low163 Ų163125.3 Ų125.384%0.83675%0.754SS**  trans-63.8117.2150.1-69.7169.6000106.8
263A41.7Very low45Very low85 Ų85123 Ų12370%0.70277%0.765SS**  trans-60.6127.5161.100000107.9T261 G265T261-A263 PolarHBondContact O-N 3.15Å; A263-G265 PolarHBondContact O-N 3.24Å
264P43.9Very low44.6Very low126 Ų126123.2 Ų123.282%0.81877%0.769SS**  trans-7292.3-173.727.2-32.1000110.5
265G43.5Very low44.4Very low67 Ų67125.3 Ų125.369%0.69179%0.788SS**  trans-72.7117.9154.600000108.4A263 V267A263-G265 PolarHBondContact O-N 3.24Å; G265-V267 PolarHBondContact O-N 2.92Å
266V48.4Very low44.7Very low134 Ų134117.1 Ų117.181%0.81276%0.764SS**  trans-54114.2-178.8177.40000111.1
267V43.4Very low45.1Very low142 Ų142118 Ų11886%0.86176%0.76SS**  trans-150.1120.3143.9-80.30000109.6G265G265-V267 PolarHBondContact O-N 2.92Å
268M46.4Very low46.3Very low181 Ų181118.7 Ų118.789%0.89276%0.758SS**  trans-74.2129.6178.8-70.9-91.9-84.200110.8
269A44.3Very low47.6Very low91 Ų91116.7 Ų116.775%0.75275%0.751SS**  166.7131128.200000113.2
270S41.2Very low49Very low115 Ų115113.9 Ų113.980%0.80473%0.728SS**  trans74.6112155.360.10000121.9
271S39.2Very low50.5Low114 Ų114115.9 Ų115.980%0.79773%0.727SS**  trans73.4125.6145.6-71.70000121.5A273S271-A273 PolarHBondContact O-N 3.41Å
272P45.7Very low52.8Low131 Ų131111.9 Ų111.985%0.85171%0.708SS**  trans-85.5101174.133.8-28.2000110.4
273A45.5Very low55.2Low95 Ų95106.9 Ų106.979%0.78569%0.691SS**  trans-97.6125.3160.400000108.6S271S271-A273 PolarHBondContact O-N 3.41Å
274L48Very low57.7Low132 Ų132109.4 Ų109.469%0.69168%0.682SS**  trans-56.7141.6177.7-75.287.3000111.4T276L274-T276 PolarHBondContact O-N 3.44Å
275P52Low60.2Low127 Ų127110.5 Ų110.583%0.82567%0.674SS**THydrogen-bonded Turntrans-8025.3-177.833.3-34.9000114.6
276T55.9Low62.6Low62 Ų62115.2 Ų115.238%0.3867%0.671SS.*THydrogen-bonded Turntrans-92.5-14.1-172.952.70000115.3L274 E280L274-T276 PolarHBondContact O-N 3.44Å; T276-E280 PolarHBondContact O-N 3.22Å
277Q56.3Low64.9Low135 Ų135114.7 Ų114.763%0.63166%0.66SS**Hα-helixtrans-59.9-49-168.7-69.2-92.1-30.200116.1A279 E281Q277-A279 PolarHBondContact O-N 3Å; Q277-E281 PolarHBondContact O-N 2.86Å
278P62.3Low67.4Low95 Ų95111.7 Ų111.762%0.61764%0.641SS**Hα-helixtrans-75.3-25.9-173.927.7-33.4000113.6A282P278-A282 PolarHBondContact O-N 2.9Å
279A68.4Low69.9Low70 Ų70110.7 Ų110.758%0.57963%0.628SS**Hα-helixtrans-73.8-3917700000111.7Q277 A282 A283Q277-A279 PolarHBondContact O-N 3Å; A279-A282 PolarHBondContact O-N 3.41Å; A279-A283 WeakPolarHBondContact O-CB 3.39Å; A279-A283 PolarHBondContact O-N 3.31Å
280E75.9Confident72.4Confident87 Ų87111.4 Ų111.441%0.40762%0.619SS.*Hα-helixtrans-68.6-36.9175.4-72.1-177.6-169.500112.5T276 A283 R284T276-E280 PolarHBondContact O-N 3.22Å; E280-A283 PolarHBondContact O-N 3.19Å; E280-R284 WeakPolarHBondContact O-CG 3.34Å; E280-R284 PolarHBondContact O-N 3.15Å; E280-R284 IonicContact OE2-NH2 3.42Å; E280-R284 PolarHBondContact OE2-NH2 3.5Å
281E79.1Confident75.1Confident138 Ų138111.3 Ų111.365%0.64561%0.606SS**Hα-helixtrans-66.3-39.8175.7-164.617917400111.9Q277 A283 R284 K285Q277-E281 PolarHBondContact O-N 2.86Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.15Å; E281-R284 PolarHBondContact O-N 2.8Å; E281-K285 WeakPolarHBondContact O-CB 3.49Å; E281-K285 PolarHBondContact O-N 2.94Å
282A86.5Confident77.9Confident59 Ų59112.7 Ų112.749%0.48860%0.598SS.*Hα-helixtrans-64.1-38.3172.700000112.4P278 A279 K285 R286P278-A282 PolarHBondContact O-N 2.9Å; A279-A282 PolarHBondContact O-N 3.41Å; A282-K285 PolarHBondContact O-N 2.82Å; A282-R286 WeakPolarHBondContact O-CB 3.44Å; A282-R286 PolarHBondContact O-N 3.06Å
283A91.7Very high80.4Confident58 Ų58111.8 Ų111.848%0.47959%0.586SS.*Hα-helixtrans-64.8-48.9175.200000111.6A279 E280 E281 K285 R286 E287A279-A283 WeakPolarHBondContact O-CB 3.39Å; A279-A283 PolarHBondContact O-N 3.31Å; E280-A283 PolarHBondContact O-N 3.19Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.15Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 3.34Å; A283-R286 WeakPolarHBondContact O-CB 3.31Å; A283-R286 PolarHBondContact O-N 3.14Å; A283-R286 VanDerWaalsContact O-N 3.1Å; A283-E287 PolarHBondContact O-N 2.87Å
284R94Very high82.9Confident139 Ų139114 Ų11453%0.52557%0.574SS.*Hα-helixtrans-56.7-43.7174.2-76.8-171.3-92.7-100.6-3.7111.8E280 E281 R286 E287 V288E280-R284 WeakPolarHBondContact O-CG 3.34Å; E280-R284 PolarHBondContact O-N 3.15Å; E280-R284 IonicContact OE2-NH2 3.42Å; E280-R284 PolarHBondContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact O-N 2.8Å; R284-R286 PolarHBondContact O-N 2.8Å; R284-E287 WeakPolarHBondContact O-CB 3.4Å; R284-E287 PolarHBondContact O-N 2.97Å; R284-V288 WeakPolarHBondContact O-CG2 3.18Å; R284-V288 PolarHBondContact O-N 3.4Å
285K95.7Very high85.3Confident148 Ų148114 Ų11464%0.64357%0.571SS**Hα-helixtrans-65.1-36.8176.3-174.3175-178.21760112.8E281 A282 A283 R289E281-K285 WeakPolarHBondContact O-CB 3.49Å; E281-K285 PolarHBondContact O-N 2.94Å; A282-K285 PolarHBondContact O-N 2.82Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 3.34Å; K285-R289 WeakPolarHBondContact O-CG 3.43Å; K285-R289 PolarHBondContact O-N 3.24Å
286R95Very high87.5Confident167 Ų167110.7 Ų110.763%0.6355%0.554SS**Hα-helixtrans-65.7-42.4173.8-177.3-179-179.8-180-0.1111A282 A283 R284 R289 L290A282-R286 WeakPolarHBondContact O-CB 3.44Å; A282-R286 PolarHBondContact O-N 3.06Å; A283-R286 WeakPolarHBondContact O-CB 3.31Å; A283-R286 PolarHBondContact O-N 3.14Å; A283-R286 VanDerWaalsContact O-N 3.1Å; R284-R286 PolarHBondContact O-N 2.8Å; R286-R289 WeakPolarHBondContact O-CB 3.42Å; R286-R289 PolarHBondContact O-N 3.38Å; R286-L290 HydrophobicContact CG-CD1 4.35Å; R286-L290 WeakPolarHBondContact O-CG 3.42Å; R286-L290 PolarHBondContact O-N 3.34Å
287E95.8Very high89.5Confident122 Ų122109.6 Ų109.657%0.5755%0.551SS**Hα-helixtrans-61.8-47.8178.5-175.8170.7-159.300112A283 R284 R289 L290 M291A283-E287 PolarHBondContact O-N 2.87Å; R284-E287 WeakPolarHBondContact O-CB 3.4Å; R284-E287 PolarHBondContact O-N 2.97Å; E287-R289 VanDerWaalsContact C-N 3.26Å; E287-R289 PolarHBondContact O-N 2.93Å; E287-L290 PolarHBondContact O-N 3.47Å; E287-L290 VanDerWaalsContact O-N 3.08Å; E287-M291 WeakPolarHBondContact O-CG 3.36Å; E287-M291 PolarHBondContact O-N 3.09Å
288V96.9Very high91.5Very high79 Ų79109.5 Ų109.548%0.47955%0.545SS..Hα-helixtrans-57.4-40.1174.8172.60000111.6R284 M291 K292R284-V288 WeakPolarHBondContact O-CG2 3.18Å; R284-V288 PolarHBondContact O-N 3.4Å; V288-M291 PolarHBondContact O-N 2.78Å; V288-K292 HydrophobicContact CG1-CD 4.29Å; V288-K292 WeakPolarHBondContact O-CG 3.34Å; V288-K292 PolarHBondContact O-N 2.71Å
289R97.8Very high93.3Very high160 Ų160108.3 Ų108.360%0.60453%0.531SS*.Hα-helixtrans-63.7-42.6176.3-76.2-173.2-69.6162.3-3.1112.2K285 R286 E287 N293K285-R289 WeakPolarHBondContact O-CG 3.43Å; K285-R289 PolarHBondContact O-N 3.24Å; R286-R289 WeakPolarHBondContact O-CB 3.42Å; R286-R289 PolarHBondContact O-N 3.38Å; E287-R289 VanDerWaalsContact C-N 3.26Å; E287-R289 PolarHBondContact O-N 2.93Å; R289-N293 WeakPolarHBondContact O-CB 3.22Å; R289-N293 PolarHBondContact O-N 3.11Å
290L98.1Very high94.7Very high107 Ų107109 Ų10956%0.5653%0.531SS*.Hα-helixtrans-65.8-40.1177.3-69.2173.8000111.5R286 E287 N293 R294R286-L290 HydrophobicContact CG-CD1 4.35Å; R286-L290 WeakPolarHBondContact O-CG 3.42Å; R286-L290 PolarHBondContact O-N 3.34Å; E287-L290 PolarHBondContact O-N 3.47Å; E287-L290 VanDerWaalsContact O-N 3.08Å; L290-N293 PolarHBondContact O-N 3.04Å; L290-R294 WeakPolarHBondContact O-CB 3.3Å; L290-R294 PolarHBondContact O-N 2.9Å
291M96.6Very high95.8Very high112 Ų112113.9 Ų113.955%0.55255%0.546SS*.Hα-helixtrans-62.6-48.1175.7-70.5-67.2-10800111.9E287 V288 N293 R294 E295E287-M291 WeakPolarHBondContact O-CG 3.36Å; E287-M291 PolarHBondContact O-N 3.09Å; V288-M291 PolarHBondContact O-N 2.78Å; M291-N293 VanDerWaalsContact C-N 3.35Å; M291-N293 PolarHBondContact O-N 3.44Å; M291-R294 WeakPolarHBondContact O-CB 3.37Å; M291-R294 PolarHBondContact O-N 3.27Å; M291-E295 PolarHBondContact O-N 3.03Å
292K98.5Very high96.7Very high143 Ų143112.9 Ų112.962%0.62254%0.536SS*.Hα-helixtrans-62.1-39.7175.7-73.2-176.4175.6-173.50112.6V288 E295 A296V288-K292 HydrophobicContact CG1-CD 4.29Å; V288-K292 WeakPolarHBondContact O-CG 3.34Å; V288-K292 PolarHBondContact O-N 2.71Å; K292-E295 PolarHBondContact O-N 2.91Å; K292-A296 WeakPolarHBondContact O-CB 3.3Å; K292-A296 PolarHBondContact O-N 3.4Å
293N98.1Very high97.3Very high112 Ų112116 Ų11660%0.59954%0.538SS*.Hα-helixtrans-66.1-39.5176.2-172.6-94.2000111.7R289 L290 M291 E295 A296 A297R289-N293 WeakPolarHBondContact O-CB 3.22Å; R289-N293 PolarHBondContact O-N 3.11Å; L290-N293 PolarHBondContact O-N 3.04Å; M291-N293 VanDerWaalsContact C-N 3.35Å; M291-N293 PolarHBondContact O-N 3.44Å; N293-E295 VanDerWaalsContact C-N 3.31Å; N293-E295 PolarHBondContact O-N 3.47Å; N293-A296 PolarHBondContact O-N 3.14Å; N293-A297 WeakPolarHBondContact O-CB 3.43Å; N293-A297 PolarHBondContact O-N 2.89Å
294R98.3Very high97.7Very high142 Ų142120.4 Ų120.454%0.53655%0.547SS..Hα-helixtrans-59.7-43.8174.6-169.4-179.3-176.9-178.1-2.1111L290 M291 R298L290-R294 WeakPolarHBondContact O-CB 3.3Å; L290-R294 PolarHBondContact O-N 2.9Å; M291-R294 WeakPolarHBondContact O-CB 3.37Å; M291-R294 PolarHBondContact O-N 3.27Å; R294-R298 WeakPolarHBondContact O-CG 3.39Å; R294-R298 PolarHBondContact O-N 2.92Å
295E98.3Very high97.9Very high131 Ų131121.8 Ų121.861%0.61256%0.557SS**Hα-helixtrans-66.3-48.1176.3-169.9172.8-17200112.4M291 K292 N293 A297 R298 E299M291-E295 PolarHBondContact O-N 3.03Å; K292-E295 PolarHBondContact O-N 2.91Å; N293-E295 VanDerWaalsContact C-N 3.31Å; N293-E295 PolarHBondContact O-N 3.47Å; E295-A297 VanDerWaalsContact C-N 3.26Å; E295-A297 PolarHBondContact O-N 3.02Å; E295-R298 WeakPolarHBondContact O-CB 3.26Å; E295-R298 PolarHBondContact O-N 3.48Å; E295-E299 PolarHBondContact O-N 3.41Å
296A98.3Very high98Very high59 Ų59120.1 Ų120.149%0.48855%0.551SS.*Hα-helixtrans-57.5-38.5176.600000112.5K292 N293 E299 C300K292-A296 WeakPolarHBondContact O-CB 3.3Å; K292-A296 PolarHBondContact O-N 3.4Å; N293-A296 PolarHBondContact O-N 3.14Å; A296-E299 PolarHBondContact O-N 2.95Å; A296-C300 VanDerWaalsContact O-CB 3.26Å; A296-C300 WeakPolarHBondContact O-CB 3.42Å; A296-C300 PolarHBondContact O-N 3.11Å
297A98.6Very high98.2Very high38 Ų38119.3 Ų119.331%0.31455%0.549SS..Hα-helixtrans-66.2-39.517600000112.5N293 E295 R301N293-A297 WeakPolarHBondContact O-CB 3.43Å; N293-A297 PolarHBondContact O-N 2.89Å; E295-A297 VanDerWaalsContact C-N 3.26Å; E295-A297 PolarHBondContact O-N 3.02Å; A297-R301 VanDerWaalsContact O-CG 3.3Å; A297-R301 WeakPolarHBondContact O-CG 3.09Å; A297-R301 PolarHBondContact O-N 3.43Å; A297-R301 VanDerWaalsContact O-N 3.15Å
298R98.6Very high98.4Very high134 Ų134116.4 Ų116.451%0.50654%0.54SS..Hα-helixtrans-63-46.6173.9-69-177.1-167.6112-14.1110.8R294 E295 C300 R301 R302R294-R298 WeakPolarHBondContact O-CG 3.39Å; R294-R298 PolarHBondContact O-N 2.92Å; E295-R298 WeakPolarHBondContact O-CB 3.26Å; E295-R298 PolarHBondContact O-N 3.48Å; R298-C300 PolarHBondContact O-N 2.91Å; R298-R301 PolarHBondContact O-N 2.89Å; R298-R302 PolarHBondContact O-N 3.45Å
299E98.6Very high98.5Very high69 Ų69120 Ų12032%0.32255%0.549SS..Hα-helixtrans-64.9-40.7-178.9-177.858.3-164.200112.2E295 A296 R301 R302 K303E295-E299 PolarHBondContact O-N 3.41Å; A296-E299 PolarHBondContact O-N 2.95Å; E299-R301 VanDerWaalsContact C-N 3.35Å; E299-R301 PolarHBondContact O-N 2.9Å; E299-R302 PolarHBondContact O-N 3.43Å; E299-R302 IonicContact OE1-CZ 3.43Å; E299-R302 IonicContact OE1-NE 3.46Å; E299-R302 IonicContact OE1-NH2 2.63Å; E299-R302 PolarHBondContact OE1-NH2 2.78Å; E299-R302 IonicContact OE2-CZ 2.82Å; E299-R302 IonicContact OE2-NE 3.53Å; E299-R302 PolarHBondContact OE2-NE 2.69Å; E299-R302 IonicContact OE2-NH2 3.9Å; E299-R302 PolarHBondContact OE2-NH2 3.25Å; E299-K303 PolarHBondContact O-N 3.33Å; E299-K303 WeakPolarHBondContact OE1-CE 3Å; E299-K303 IonicContact OE1-NZ 3.92Å
300C98.8Very high98.5Very high85 Ų85116.2 Ų116.257%0.57455%0.546SS*.Hα-helixtrans-57.3-46.7172.71790000111.6A296 R298 K304A296-C300 VanDerWaalsContact O-CB 3.26Å; A296-C300 WeakPolarHBondContact O-CB 3.42Å; A296-C300 PolarHBondContact O-N 3.11Å; R298-C300 PolarHBondContact O-N 2.91Å; C300-K304 WeakPolarHBondContact O-CB 3.23Å; C300-K304 PolarHBondContact O-N 3.21Å
301R98.8Very high98.5Very high190 Ų190113.9 Ų113.972%0.71753%0.534SS*.Hα-helixtrans-64.2-40.9176.8-68.6171.1-172.9-172.32112A297 R298 E299 K304 K305A297-R301 VanDerWaalsContact O-CG 3.3Å; A297-R301 WeakPolarHBondContact O-CG 3.09Å; A297-R301 PolarHBondContact O-N 3.43Å; A297-R301 VanDerWaalsContact O-N 3.15Å; R298-R301 PolarHBondContact O-N 2.89Å; E299-R301 VanDerWaalsContact C-N 3.35Å; E299-R301 PolarHBondContact O-N 2.9Å; R301-K304 PolarHBondContact O-N 3.37Å; R301-K305 PolarHBondContact O-N 3.26Å
302R98.8Very high98.6Very high117 Ų117114.4 Ų114.444%0.44254%0.535SS..Hα-helixtrans-61.2-51.4177.7-169-169.468.171.8-1.4111.2R298 E299 K304 K305 E306R298-R302 PolarHBondContact O-N 3.45Å; E299-R302 PolarHBondContact O-N 3.43Å; E299-R302 IonicContact OE1-CZ 3.43Å; E299-R302 IonicContact OE1-NE 3.46Å; E299-R302 IonicContact OE1-NH2 2.63Å; E299-R302 PolarHBondContact OE1-NH2 2.78Å; E299-R302 IonicContact OE2-CZ 2.82Å; E299-R302 IonicContact OE2-NE 3.53Å; E299-R302 PolarHBondContact OE2-NE 2.69Å; E299-R302 IonicContact OE2-NH2 3.9Å; E299-R302 PolarHBondContact OE2-NH2 3.25Å; R302-K304 VanDerWaalsContact C-N 3.33Å; R302-K304 PolarHBondContact O-N 3.39Å; R302-K305 WeakPolarHBondContact O-CB 3.18Å; R302-K305 PolarHBondContact O-N 2.89Å; R302-K305 VanDerWaalsContact O-N 3.17Å; R302-E306 IonicContact CZ-OE2 3.52Å; R302-E306 IonicContact NH1-OE2 2.78Å; R302-E306 PolarHBondContact NH1-OE2 2.95Å; R302-E306 PolarHBondContact O-N 3Å
303K98.8Very high98.6Very high123 Ų123112.6 Ų112.654%0.53553%0.532SS..Hα-helixtrans-59.7-41.3176.8-76.4-179173.7172.30112.3E299 K305 E306 Y307E299-K303 PolarHBondContact O-N 3.33Å; E299-K303 WeakPolarHBondContact OE1-CE 3Å; E299-K303 IonicContact OE1-NZ 3.92Å; K303-K305 PolarHBondContact O-N 2.96Å; K303-E306 PolarHBondContact O-N 3.43Å; K303-Y307 WeakPolarHBondContact O-CB 3.28Å; K303-Y307 PolarHBondContact O-N 3.41Å
304K98.8Very high98.7Very high152 Ų152114.9 Ų114.966%0.66153%0.532SS*.Hα-helixtrans-61.4-44.7175.7-173.8175.8-179.21800111.5C300 R301 R302 E306 Y307 V308C300-K304 WeakPolarHBondContact O-CB 3.23Å; C300-K304 PolarHBondContact O-N 3.21Å; R301-K304 PolarHBondContact O-N 3.37Å; R302-K304 VanDerWaalsContact C-N 3.33Å; R302-K304 PolarHBondContact O-N 3.39Å; K304-E306 VanDerWaalsContact C-N 3.33Å; K304-E306 PolarHBondContact O-N 2.78Å; K304-Y307 PolarHBondContact O-N 3.05Å; K304-V308 VanDerWaalsContact O-CG2 3.31Å; K304-V308 WeakPolarHBondContact O-CG2 3.21Å; K304-V308 PolarHBondContact O-N 3.2Å
305K98.8Very high98.7Very high168 Ų168111.6 Ų111.673%0.7353%0.528SS*.Hα-helixtrans-61.5-42.5177.1-169.3176.9-172.5179.50111.7R301 R302 K303 K309R301-K305 PolarHBondContact O-N 3.26Å; R302-K305 WeakPolarHBondContact O-CB 3.18Å; R302-K305 PolarHBondContact O-N 2.89Å; R302-K305 VanDerWaalsContact O-N 3.17Å; K303-K305 PolarHBondContact O-N 2.96Å; K305-K309 PolarHBondContact O-N 3.36Å
306E98.6Very high98.7Very high112 Ų112107.2 Ų107.252%0.52351%0.514SS..Hα-helixtrans-67.3-41.8178-169.9176.7172.100112.4R302 K303 K304 K309 C310R302-E306 IonicContact CZ-OE2 3.52Å; R302-E306 IonicContact NH1-OE2 2.78Å; R302-E306 PolarHBondContact NH1-OE2 2.95Å; R302-E306 PolarHBondContact O-N 3Å; K303-E306 PolarHBondContact O-N 3.43Å; K304-E306 VanDerWaalsContact C-N 3.33Å; K304-E306 PolarHBondContact O-N 2.78Å; E306-K309 PolarHBondContact O-N 3.44Å; E306-C310 WeakPolarHBondContact O-CB 3.42Å; E306-C310 PolarHBondContact O-N 3.34Å
307Y98.8Very high98.7Very high151 Ų151107.4 Ų107.459%0.59251%0.509SS*.Hα-helixtrans-61.3-45.2175.6177.7-110.7000112K303 K304 K309 C310 L311K303-Y307 WeakPolarHBondContact O-CB 3.28Å; K303-Y307 PolarHBondContact O-N 3.41Å; K304-Y307 PolarHBondContact O-N 3.05Å; Y307-K309 VanDerWaalsContact C-N 3.34Å; Y307-K309 PolarHBondContact O-N 2.8Å; Y307-C310 WeakPolarHBondContact O-CB 3.43Å; Y307-C310 PolarHBondContact O-N 3.32Å; Y307-L311 HydrophobicContact CD1-CD1 4.03Å; Y307-L311 HydrophobicContact CE1-CD1 3.43Å; Y307-L311 VanDerWaalsContact CE1-CD1 3.43Å; Y307-L311 HydrophobicContact CE1-CG 4.13Å; Y307-L311 HydrophobicContact CE2-CD1 4.35Å; Y307-L311 HydrophobicContact CE2-CD2 4.36Å; Y307-L311 HydrophobicContact CE2-CG 4.2Å; Y307-L311 WeakPolarHBondContact O-CG 3.25Å; Y307-L311 PolarHBondContact O-N 3.21Å
308V98.9Very high98.7Very high61 Ų61109.4 Ų109.437%0.3751%0.514SS..Hα-helixtrans-58.8-47.5174.7171.30000110.4K304 C310 L311 E312K304-V308 VanDerWaalsContact O-CG2 3.31Å; K304-V308 WeakPolarHBondContact O-CG2 3.21Å; K304-V308 PolarHBondContact O-N 3.2Å; V308-C310 VanDerWaalsContact C-N 3.3Å; V308-C310 PolarHBondContact O-N 2.82Å; V308-L311 WeakPolarHBondContact O-CB 3.34Å; V308-L311 PolarHBondContact O-N 2.63Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V308-E312 HydrophobicContact CG1-CG 4.39Å; V308-E312 WeakPolarHBondContact O-CG 3.45Å; V308-E312 PolarHBondContact O-N 2.93Å
309K98.8Very high98.7Very high154 Ų154108.8 Ų108.867%0.6752%0.517SS*.Hα-helixtrans-60.2-39177.2-171.5179.9-179.2-176.70112.8K305 E306 Y307 E312 N313K305-K309 PolarHBondContact O-N 3.36Å; E306-K309 PolarHBondContact O-N 3.44Å; Y307-K309 VanDerWaalsContact C-N 3.34Å; Y307-K309 PolarHBondContact O-N 2.8Å; K309-E312 PolarHBondContact O-N 2.83Å; K309-N313 WeakPolarHBondContact O-CB 3.37Å; K309-N313 PolarHBondContact O-N 3.48Å
310C98.6Very high98.7Very high80 Ų80110.4 Ų110.454%0.54153%0.528SS..Hα-helixtrans-65.7-40.5176.1-176.80000111.6E306 Y307 V308 N313 R314E306-C310 WeakPolarHBondContact O-CB 3.42Å; E306-C310 PolarHBondContact O-N 3.34Å; Y307-C310 WeakPolarHBondContact O-CB 3.43Å; Y307-C310 PolarHBondContact O-N 3.32Å; V308-C310 VanDerWaalsContact C-N 3.3Å; V308-C310 PolarHBondContact O-N 2.82Å; C310-N313 PolarHBondContact O-N 3.49Å; C310-R314 WeakPolarHBondContact O-CB 3.24Å; C310-R314 PolarHBondContact O-N 2.96Å
311L98.9Very high98.7Very high59 Ų59111.3 Ų111.331%0.30952%0.524SS..Hα-helixtrans-64-46.3173.8-72.9179.4000111.9Y307 V308 N313 R314 V315Y307-L311 HydrophobicContact CD1-CD1 4.03Å; Y307-L311 HydrophobicContact CE1-CD1 3.43Å; Y307-L311 VanDerWaalsContact CE1-CD1 3.43Å; Y307-L311 HydrophobicContact CE1-CG 4.13Å; Y307-L311 HydrophobicContact CE2-CD1 4.35Å; Y307-L311 HydrophobicContact CE2-CD2 4.36Å; Y307-L311 HydrophobicContact CE2-CG 4.2Å; Y307-L311 WeakPolarHBondContact O-CG 3.25Å; Y307-L311 PolarHBondContact O-N 3.21Å; V308-L311 WeakPolarHBondContact O-CB 3.34Å; V308-L311 PolarHBondContact O-N 2.63Å; V308-L311 VanDerWaalsContact O-N 3.13Å; L311-N313 VanDerWaalsContact C-N 3.3Å; L311-N313 PolarHBondContact O-N 3.27Å; L311-R314 PolarHBondContact O-N 3.23Å; L311-R314 VanDerWaalsContact O-N 3.16Å; L311-V315 WeakPolarHBondContact O-CG2 3.35Å; L311-V315 PolarHBondContact O-N 3.3Å
312E98.6Very high98.7Very high122 Ų122106.9 Ų106.957%0.5751%0.514SS*.Hα-helixtrans-57.6-44.4175.7-70.3167.9168.400111.1V308 K309 V315 A316V308-E312 HydrophobicContact CG1-CG 4.39Å; V308-E312 WeakPolarHBondContact O-CG 3.45Å; V308-E312 PolarHBondContact O-N 2.93Å; K309-E312 PolarHBondContact O-N 2.83Å; E312-V315 PolarHBondContact O-N 3.2Å; E312-A316 PolarHBondContact O-N 3.32Å
313N98.8Very high98.7Very high105 Ų105107.2 Ų107.256%0.56152%0.519SS*.Hα-helixtrans-63.4-43.3175.4-177.9-98.9000112.1K309 C310 L311 V315 A316 V317K309-N313 WeakPolarHBondContact O-CB 3.37Å; K309-N313 PolarHBondContact O-N 3.48Å; C310-N313 PolarHBondContact O-N 3.49Å; L311-N313 VanDerWaalsContact C-N 3.3Å; L311-N313 PolarHBondContact O-N 3.27Å; N313-V315 VanDerWaalsContact C-N 3.32Å; N313-V315 PolarHBondContact O-N 3.04Å; N313-A316 PolarHBondContact O-N 3.46Å; N313-V317 WeakPolarHBondContact O-CG2 3.45Å; N313-V317 PolarHBondContact O-N 2.96Å
314R98.8Very high98.7Very high160 Ų160104.7 Ų104.760%0.60451%0.514SS*.Hα-helixtrans-62.6-40.5177.5-167.1172.781.9164.85.6111.6C310 L311 V317 L318C310-R314 WeakPolarHBondContact O-CB 3.24Å; C310-R314 PolarHBondContact O-N 2.96Å; L311-R314 PolarHBondContact O-N 3.23Å; L311-R314 VanDerWaalsContact O-N 3.16Å; R314-V317 PolarHBondContact O-N 2.9Å; R314-L318 HydrophobicContact CG-CD1 4.19Å; R314-L318 WeakPolarHBondContact O-CB 3.41Å; R314-L318 VanDerWaalsContact O-CG 3.27Å; R314-L318 WeakPolarHBondContact O-CG 3.37Å; R314-L318 PolarHBondContact O-N 3.27Å
315V98.9Very high98.7Very high73 Ų73101.9 Ų101.944%0.44251%0.505SS..Hα-helixtrans-60.5-49.8174169.30000110.1L311 E312 N313 V317 L318 E319L311-V315 WeakPolarHBondContact O-CG2 3.35Å; L311-V315 PolarHBondContact O-N 3.3Å; E312-V315 PolarHBondContact O-N 3.2Å; N313-V315 VanDerWaalsContact C-N 3.32Å; N313-V315 PolarHBondContact O-N 3.04Å; V315-V317 VanDerWaalsContact C-N 3.32Å; V315-V317 PolarHBondContact O-N 3.4Å; V315-L318 PolarHBondContact O-N 3.08Å; V315-L318 VanDerWaalsContact O-N 3.12Å; V315-E319 HydrophobicContact CG1-CG 4.2Å; V315-E319 WeakPolarHBondContact CG1-OE1 3.45Å; V315-E319 WeakPolarHBondContact O-CB 3.13Å; V315-E319 WeakPolarHBondContact O-CG 3.38Å; V315-E319 PolarHBondContact O-N 3.23Å
316A98.8Very high98.7Very high40 Ų4099.3 Ų99.333%0.33150%0.499SS..Hα-helixtrans-59.8-39.6179.100000113E312 N313 N320E312-A316 PolarHBondContact O-N 3.32Å; N313-A316 PolarHBondContact O-N 3.46Å; A316-N320 WeakPolarHBondContact O-CB 3.43Å; A316-N320 VanDerWaalsContact O-CG 3.3Å; A316-N320 PolarHBondContact O-N 3.07Å; A316-N320 PolarHBondContact O-ND2 3.13Å
317V98.8Very high98.6Very high62 Ų6299.1 Ų99.138%0.37650%0.498SS..Hα-helixtrans-63.8-46.2175170.70000111N313 R314 V315 N320 Q321N313-V317 WeakPolarHBondContact O-CG2 3.45Å; N313-V317 PolarHBondContact O-N 2.96Å; R314-V317 PolarHBondContact O-N 2.9Å; V315-V317 VanDerWaalsContact C-N 3.32Å; V315-V317 PolarHBondContact O-N 3.4Å; V317-N320 PolarHBondContact O-N 3.16Å; V317-Q321 HydrophobicContact CG1-CG 4.44Å; V317-Q321 WeakPolarHBondContact O-CG 3.34Å; V317-Q321 PolarHBondContact O-N 3.43Å
318L98.6Very high98.6Very high80 Ų8097.3 Ų97.342%0.41950%0.495SS..Hα-helixtrans-65.9-38179.5-71.8170.1000112.1R314 V315 Q321 N322R314-L318 HydrophobicContact CG-CD1 4.19Å; R314-L318 WeakPolarHBondContact O-CB 3.41Å; R314-L318 VanDerWaalsContact O-CG 3.27Å; R314-L318 WeakPolarHBondContact O-CG 3.37Å; R314-L318 PolarHBondContact O-N 3.27Å; V315-L318 PolarHBondContact O-N 3.08Å; V315-L318 VanDerWaalsContact O-N 3.12Å; L318-Q321 PolarHBondContact O-N 3.01Å; L318-N322 WeakPolarHBondContact O-CB 3.17Å; L318-N322 PolarHBondContact O-N 3.27Å; L318-N322 PolarHBondContact O-ND2 3.23Å
319E98.5Very high98.5Very high121 Ų12199.3 Ų99.357%0.56550%0.503SS*.Hα-helixtrans-62.3-44.6173.8-74174.3168.300111.4V315 N322 K323V315-E319 HydrophobicContact CG1-CG 4.2Å; V315-E319 WeakPolarHBondContact CG1-OE1 3.45Å; V315-E319 WeakPolarHBondContact O-CB 3.13Å; V315-E319 WeakPolarHBondContact O-CG 3.38Å; V315-E319 PolarHBondContact O-N 3.23Å; E319-N322 PolarHBondContact O-N 2.89Å; E319-K323 WeakPolarHBondContact O-CB 3.3Å; E319-K323 PolarHBondContact O-N 3.13Å
320N98.7Very high98.4Very high103 Ų10398.4 Ų98.455%0.55150%0.499SS*.Hα-helixtrans-63.8-44.6175.4-74.9-25.6000112A316 V317 N322 K323 T324A316-N320 WeakPolarHBondContact O-CB 3.43Å; A316-N320 VanDerWaalsContact O-CG 3.3Å; A316-N320 PolarHBondContact O-N 3.07Å; A316-N320 PolarHBondContact O-ND2 3.13Å; V317-N320 PolarHBondContact O-N 3.16Å; N320-N322 PolarHBondContact O-N 2.97Å; N320-K323 WeakPolarHBondContact O-CB 3.42Å; N320-K323 PolarHBondContact O-N 3.38Å; N320-T324 PolarHBondContact O-N 3.17Å; N320-T324 PolarHBondContact O-OG1 3.4Å
321Q98.6Very high98.2Very high105 Ų10597.4 Ų97.449%0.49150%0.496SS..Hα-helixtrans-60-46.3176-75.5177.5-24.900111.6V317 L318 K323 T324 L325V317-Q321 HydrophobicContact CG1-CG 4.44Å; V317-Q321 WeakPolarHBondContact O-CG 3.34Å; V317-Q321 PolarHBondContact O-N 3.43Å; L318-Q321 PolarHBondContact O-N 3.01Å; Q321-K323 VanDerWaalsContact C-N 3.29Å; Q321-K323 PolarHBondContact O-N 3.14Å; Q321-T324 PolarHBondContact O-N 3.4Å; Q321-L325 WeakPolarHBondContact O-CG 3.44Å; Q321-L325 PolarHBondContact O-N 3.36Å
322N98.6Very high98.1Very high96 Ų96100.4 Ų100.451%0.51351%0.512SS..Hα-helixtrans-59.8-41.3175.9-83-32.8000111.8L318 E319 N320 L325 I326L318-N322 WeakPolarHBondContact O-CB 3.17Å; L318-N322 PolarHBondContact O-N 3.27Å; L318-N322 PolarHBondContact O-ND2 3.23Å; E319-N322 PolarHBondContact O-N 2.89Å; N320-N322 PolarHBondContact O-N 2.97Å; N322-L325 PolarHBondContact O-N 3Å; N322-I326 WeakPolarHBondContact O-CB 3.46Å; N322-I326 WeakPolarHBondContact O-CD1 3.44Å; N322-I326 WeakPolarHBondContact O-CG1 3.38Å; N322-I326 PolarHBondContact O-N 3.05Å
323K98.7Very high97.9Very high124 Ų124101.6 Ų101.654%0.53952%0.515SS..Hα-helixtrans-60.9-48.9176.7-174.1-179.4175.8-175.10111.7E319 N320 Q321 L325 I326 E327E319-K323 WeakPolarHBondContact O-CB 3.3Å; E319-K323 PolarHBondContact O-N 3.13Å; N320-K323 WeakPolarHBondContact O-CB 3.42Å; N320-K323 PolarHBondContact O-N 3.38Å; Q321-K323 VanDerWaalsContact C-N 3.29Å; Q321-K323 PolarHBondContact O-N 3.14Å; K323-L325 PolarHBondContact O-N 3.08Å; K323-I326 PolarHBondContact O-N 3.13Å; K323-E327 WeakPolarHBondContact CE-OE1 3.5Å; K323-E327 WeakPolarHBondContact O-CG 3.4Å; K323-E327 PolarHBondContact O-N 3.3Å
324T98.6Very high97.7Very high71 Ų71100.3 Ų100.344%0.43651%0.509SS..Hα-helixtrans-59.2-45.9176.9-59.90000111.5N320 Q321 I326 E327 E328N320-T324 PolarHBondContact O-N 3.17Å; N320-T324 PolarHBondContact O-OG1 3.4Å; Q321-T324 PolarHBondContact O-N 3.4Å; T324-I326 VanDerWaalsContact C-N 3.31Å; T324-I326 PolarHBondContact O-N 3.44Å; T324-E327 PolarHBondContact O-N 3.49Å; T324-E327 VanDerWaalsContact O-N 3.17Å; T324-E328 HydrophobicContact CG2-CG 4.48Å; T324-E328 WeakPolarHBondContact O-CG 3.43Å; T324-E328 PolarHBondContact O-N 3.33Å
325L98.6Very high97.4Very high92 Ų9298 Ų9848%0.48251%0.507SS..Hα-helixtrans-62-38.4178.3-70.3172.5000112.4Q321 N322 K323 E328 L329Q321-L325 WeakPolarHBondContact O-CG 3.44Å; Q321-L325 PolarHBondContact O-N 3.36Å; N322-L325 PolarHBondContact O-N 3Å; K323-L325 PolarHBondContact O-N 3.08Å; L325-E328 PolarHBondContact O-N 3.38Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 VanDerWaalsContact O-CG 3.24Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 3.48Å
326I98Very high97Very high115 Ų115103.1 Ų103.159%0.5952%0.52SS*.Hα-helixtrans-64.1-43.8175.2-71.5164.8000110.9N322 K323 T324 L329 K330N322-I326 WeakPolarHBondContact O-CB 3.46Å; N322-I326 WeakPolarHBondContact O-CD1 3.44Å; N322-I326 WeakPolarHBondContact O-CG1 3.38Å; N322-I326 PolarHBondContact O-N 3.05Å; K323-I326 PolarHBondContact O-N 3.13Å; T324-I326 VanDerWaalsContact C-N 3.31Å; T324-I326 PolarHBondContact O-N 3.44Å; I326-L329 PolarHBondContact O-N 3.2Å; I326-K330 WeakPolarHBondContact O-CB 3.5Å; I326-K330 PolarHBondContact O-N 3.02Å
327E97.8Very high95.9Very high108 Ų108105.3 Ų105.351%0.50553%0.532SS..Hα-helixtrans-63.4-43.3177.8-72.5174.3-173.200111.6K323 T324 K330 A331K323-E327 WeakPolarHBondContact CE-OE1 3.5Å; K323-E327 WeakPolarHBondContact O-CG 3.4Å; K323-E327 PolarHBondContact O-N 3.3Å; T324-E327 PolarHBondContact O-N 3.49Å; T324-E327 VanDerWaalsContact O-N 3.17Å; E327-K330 PolarHBondContact O-N 3.1Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.46Å
328E97.3Very high94.4Very high112 Ų112109.5 Ų109.552%0.52355%0.547SS..Hα-helixtrans-62.2-46.9175.1-73.3179.8179.400112T324 L325 K330 A331 L332T324-E328 HydrophobicContact CG2-CG 4.48Å; T324-E328 WeakPolarHBondContact O-CG 3.43Å; T324-E328 PolarHBondContact O-N 3.33Å; L325-E328 PolarHBondContact O-N 3.38Å; E328-K330 VanDerWaalsContact C-N 3.26Å; E328-K330 PolarHBondContact O-N 2.94Å; E328-A331 PolarHBondContact O-N 3.37Å; E328-L332 WeakPolarHBondContact O-CB 3.5Å; E328-L332 PolarHBondContact O-N 3.47Å
329L97.3Very high92.6Very high104 Ų104113.4 Ų113.455%0.54556%0.561SS.*Hα-helixtrans-61.5-37176.7-74.8176.2000111.8L325 I326 K333L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 VanDerWaalsContact O-CG 3.24Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 3.48Å; I326-L329 PolarHBondContact O-N 3.2Å; L329-K333 WeakPolarHBondContact O-CB 3.49Å; L329-K333 VanDerWaalsContact O-CG 3.29Å; L329-K333 WeakPolarHBondContact O-CG 3.4Å; L329-K333 PolarHBondContact O-N 2.9Å
330K96.6Very high90.7Very high134 Ų134111.9 Ų111.958%0.58356%0.564SS**Hα-helixtrans-65.9-48.6175.1-173.4-179.6177.7-176.70111I326 E327 E328 L332 K333 D334I326-K330 WeakPolarHBondContact O-CB 3.5Å; I326-K330 PolarHBondContact O-N 3.02Å; E327-K330 PolarHBondContact O-N 3.1Å; E328-K330 VanDerWaalsContact C-N 3.26Å; E328-K330 PolarHBondContact O-N 2.94Å; K330-L332 VanDerWaalsContact C-N 3.27Å; K330-L332 PolarHBondContact O-N 2.95Å; K330-K333 PolarHBondContact O-N 3.45Å; K330-K333 VanDerWaalsContact O-N 3.13Å; K330-D334 VanDerWaalsContact O-CG 3.26Å; K330-D334 PolarHBondContact O-N 3.26Å
331A96Very high88.3Confident59 Ų59117.1 Ų117.149%0.48859%0.592SS.*Hα-helixtrans-58.7-39.6177.100000112.1E327 E328 L335E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.46Å; E328-A331 PolarHBondContact O-N 3.37Å; A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 PolarHBondContact O-N 3.27Å
332L96.4Very high87.8Confident123 Ų123117.8 Ų117.864%0.64460%0.597SS**Hα-helixtrans-65.4-42.4175.7-122.869.3000112.4E328 K330 L335 Y336E328-L332 WeakPolarHBondContact O-CB 3.5Å; E328-L332 PolarHBondContact O-N 3.47Å; K330-L332 VanDerWaalsContact C-N 3.27Å; K330-L332 PolarHBondContact O-N 2.95Å; L332-L335 PolarHBondContact O-N 3.46Å; L332-Y336 PolarHBondContact O-N 3.2Å; L332-Y336 VanDerWaalsContact O-N 3.17Å
333K94.9Very high87.2Confident146 Ų146118.9 Ų118.964%0.63560%0.601SS**Hα-helixtrans-64-45176.1-76.9175.1-179.4-177.40111.7L329 K330 L335 Y336 C337L329-K333 WeakPolarHBondContact O-CB 3.49Å; L329-K333 VanDerWaalsContact O-CG 3.29Å; L329-K333 WeakPolarHBondContact O-CG 3.4Å; L329-K333 PolarHBondContact O-N 2.9Å; K330-K333 PolarHBondContact O-N 3.45Å; K330-K333 VanDerWaalsContact O-N 3.13Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-L335 PolarHBondContact O-N 3.36Å; K333-Y336 PolarHBondContact O-N 2.9Å; K333-C337 PolarHBondContact O-N 3Å
334D93.5Very high86.6Confident79 Ų79118.6 Ų118.642%0.42261%0.605SS.*Hα-helixtrans-61.1-42.8179-67.7-10000110.4K330 Y336 C337 H338K330-D334 VanDerWaalsContact O-CG 3.26Å; K330-D334 PolarHBondContact O-N 3.26Å; D334-Y336 VanDerWaalsContact C-N 3.31Å; D334-Y336 PolarHBondContact O-N 2.75Å; D334-C337 PolarHBondContact O-N 3.25Å; D334-H338 PolarHBondContact O-CD2 2.81Å; D334-H338 PolarHBondContact O-N 2.84Å
335L93.3Very high85.9Confident110 Ų110121.4 Ų121.458%0.57662%0.615SS**Hα-helixtrans-63.4-34.3176.7-171.666.7000113.1A331 L332 K333A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 PolarHBondContact O-N 3.27Å; L332-L335 PolarHBondContact O-N 3.46Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-L335 PolarHBondContact O-N 3.36Å
336Y89.4Confident85.1Confident181 Ų181123.3 Ų123.371%0.7162%0.623SS**Hα-helixtrans-81-34.4-179.6-148.4-93.7000112.4L332 K333 D334 H338 K339 S340L332-Y336 PolarHBondContact O-N 3.2Å; L332-Y336 VanDerWaalsContact O-N 3.17Å; K333-Y336 PolarHBondContact O-N 2.9Å; D334-Y336 VanDerWaalsContact C-N 3.31Å; D334-Y336 PolarHBondContact O-N 2.75Å; Y336-H338 VanDerWaalsContact C-N 3.33Å; Y336-H338 PolarHBondContact O-N 3.35Å; Y336-K339 PolarHBondContact O-N 3.39Å; Y336-S340 PolarHBondContact O-OG 3.21Å; Y336-S340 VanDerWaalsContact O-OG 3.11Å
337C76.4Confident84.2Confident87 Ų87123.8 Ų123.859%0.58863%0.625SS**Hα-helixtrans-61.7-38.3173.2-88.80000112.4K333 D334 K339 S340K333-C337 PolarHBondContact O-N 3Å; D334-C337 PolarHBondContact O-N 3.25Å; C337-K339 VanDerWaalsContact C-N 3.29Å; C337-K339 PolarHBondContact O-N 3.42Å; C337-S340 PolarHBondContact O-N 3.06Å
338H67.1Low83.2Confident149 Ų149124.9 Ų124.969%0.6963%0.634SS**THydrogen-bonded Turntrans-77.6-4.5-179.8-68.9-51.4000115.7D334 Y336D334-H338 PolarHBondContact O-CD2 2.81Å; D334-H338 PolarHBondContact O-N 2.84Å; Y336-H338 VanDerWaalsContact C-N 3.33Å; Y336-H338 PolarHBondContact O-N 3.35Å
339K60.7Low82.1Confident162 Ų162125.9 Ų125.970%0.70464%0.642SS**THydrogen-bonded Turntrans-95.7-0.9173.2-72.9-170.5178.8-176.10113.6Y336 C337Y336-K339 PolarHBondContact O-N 3.39Å; C337-K339 VanDerWaalsContact C-N 3.29Å; C337-K339 PolarHBondContact O-N 3.42Å
340S59Low80.9Confident90 Ų90127.8 Ų127.863%0.62965%0.651SS**  trans-102.53-172.9-46.90000113.8Y336 C337Y336-S340 PolarHBondContact O-OG 3.21Å; Y336-S340 VanDerWaalsContact O-OG 3.11Å; C337-S340 PolarHBondContact O-N 3.06Å
341D47.5Very low79.5Confident213 Ų213127.2 Ų127.2100%1.13966%0.657SS**  trans-112.20170.1-75.5-48000109.7

Retrieved 341 of 341 residues in 1254 ms (Link to these results)