A0A087YMQ3_POEFO Loading...

Mitotic deacetylase associated SANT domain protein a

AlphaFold DB , UniProt , Accession A0A087YMQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,077 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
1M29.6Very low32.3Very low232 Ų232139.7 Ų139.7100%1.14377%0.769SS**  0109.20-65.6173176.800105.9
2S31.9Very low32.2Very low114 Ų114137 Ų13780%0.79777%0.767SS**  88.5103.465.2-60.40000111.7
3L31.2Very low32.1Very low159 Ų159142.9 Ų142.983%0.83278%0.78SS**  trans20.4165.4136.8-56.4170.9000120.9
4P58Low31.9Very low111 Ų111144 Ų14472%0.72178%0.783SS**  cis-119.9175.4-13.912.414.5000111.5
5S34.3Very low32.2Very low106 Ų106151 Ų15174%0.74179%0.794SS**  67.3117.957.5-36.80000117.2
6Q29.8Very low31.9Very low168 Ų168149.7 Ų149.779%0.78579%0.794SS**  trans175.7146.2153.9-90.7-80.20.900106.7
7V31.1Very low32.6Very low112 Ų112148.1 Ų148.168%0.67979%0.794SS**  cis108.2137.5-0.9-1800000116.8
8N27.3Very low32.5Very low136 Ų136144.5 Ų144.573%0.72779%0.788SS**  trans67.3173.9171.3-70.4-4.6000120.5
9T28.1Very low32.3Very low106 Ų106146.4 Ų146.465%0.6579%0.793SS**  -173.2169.1-75.846.60000110.1
10D24Very low32.2Very low110 Ų110149.1 Ų149.159%0.58880%0.797SS**  trans71.2138.2164.8-60.8-65.4000117.6
11K30.1Very low32.5Very low183 Ų183148.8 Ų148.880%0.79680%0.796SS**  cis90.7140.236.4-69.2176.3-141.1138.20114
12S30.9Very low32.5Very low107 Ų107141.6 Ų141.675%0.74878%0.782SS**  cis-175.9141.2-18.449.70000110.5
13K30.9Very low32.3Very low214 Ų214141.7 Ų141.793%0.9378%0.777SS**  trans-166.6173.7177.5-103.7159.9-174.1174.50112.6
14L29.6Very low32.2Very low158 Ų158143.2 Ų143.283%0.82778%0.78SS**  -161.6124.9-84.8-137.3174.6000112.3
15R35.5Very low30.6Very low249 Ų249145.8 Ų145.894%0.9478%0.782SS**  trans-173163.4159-115.9176.6-179.3176.80.1113.6
16T28.4Very low31.3Very low130 Ų130147 Ų14780%0.79879%0.787SS**  trans-139.5168.4-173.613.50000110.3
17P43.4Very low31.1Very low122 Ų122142.1 Ų142.179%0.79278%0.782SS**  cis-147.5-170.839.444.7-24.3000118.5
18A31.8Very low30.8Very low84 Ų84145.5 Ų145.569%0.69479%0.79SS**  trans102.4115.615300000120.4
19M28.3Very low30.8Very low180 Ų180144.5 Ų144.589%0.88779%0.789SS**SBendtrans55.9126.7163.4-66.4-175.1162.700119D21M19-D21 VanDerWaalsContact C-OD2 3.25Å
20K29.3Very low30.7Very low200 Ų200148.7 Ų148.787%0.8779%0.794SS**  cis-168.673.3-14.3-177.7-175.1177.7-177.50106.5
21D38.4Very low30.9Very low143 Ų143153 Ų15377%0.76580%0.804SS**  72.9126.360.7-59.7-50000114.7M19M19-D21 VanDerWaalsContact C-OD2 3.25Å
22G30.9Very low30.7Very low82 Ų82148 Ų14885%0.84581%0.805SS**  trans172.252.5-176.700000115.9
23V26.4Very low30.5Very low115 Ų115152.3 Ų152.370%0.69782%0.815SS**  trans-84.3135.8169.9169.70000110.7
24Q28.8Very low30.2Very low191 Ų191145.8 Ų145.889%0.89381%0.808SS**  trans-156.5119.4151.6-120136.799.200113.3
25H25.8Very low30.1Very low166 Ų166143.9 Ų143.977%0.76981%0.809SS**  trans-90.8-160.8151.6-50.6-98.3000107.5
26P47.5Very low30.8Very low130 Ų130137.7 Ų137.784%0.84480%0.8SS**  cis-130.7-165.5-18.834.2-12.6000112.7
27G25.8Very low30.7Very low66 Ų66135.3 Ų135.368%0.6879%0.794SS**  trans135.8109.7164.800000111.4
28E26.1Very low30.1Very low183 Ų183136.1 Ų136.186%0.85579%0.791SS**  cis92.3115.245.5-73.9-150123.900115.3
29V27.6Very low29.9Very low116 Ų116141.4 Ų141.470%0.70380%0.798SS**  82.3127.6125172.40000121.1
30Y26.2Very low29.8Very low194 Ų194136.8 Ų136.876%0.76179%0.788SS**  trans93.1128.2149.6-106.6-131.4000124.8
31Y26.2Very low29.7Very low200 Ų200132 Ų13278%0.78478%0.78SS**  trans14.2138.6139.4-74.4-102.9000121.9
32G26.3Very low29.3Very low79 Ų79133.3 Ų133.381%0.81478%0.781SS**  trans-162.6124.1154.700000112.7
33M26.6Very low29.1Very low196 Ų196133.9 Ų133.997%0.96677%0.772SS**  trans-94.2155.5171.6-70.1-125.4-63.700111.2
34G26.2Very low29.3Very low77 Ų77135.6 Ų135.679%0.79478%0.778SS**  trans-176.7124.7171.200000117.2
35S26.7Very low29.5Very low119 Ų119132.3 Ų132.383%0.83278%0.776SS**  trans-141.8175.8164.3-640000107.1
36P49.5Very low29.9Very low118 Ų118128.4 Ų128.477%0.76677%0.772SS**  cis-109.6-114.9-1.136-16.6000112.7
37A27Very low29Very low80 Ų80128.5 Ų128.566%0.66178%0.776SS**  cis-148.1128.512.400000110.2
38L30.9Very low29.2Very low139 Ų139128.8 Ų128.873%0.72878%0.779SS**  72.4113.492.1-68179.3000119
39K26.9Very low29.5Very low196 Ų196125.9 Ų125.985%0.85278%0.779SS**  trans64160.2144.8-64178.7179.1-178.60118
40A27.2Very low29.6Very low82 Ų82123.4 Ų123.468%0.67878%0.777SS**  cis-164.8162.9-29.600000105.9
41S25.6Very low29.8Very low99 Ų99120.6 Ų120.669%0.69278%0.78SS**  161.215075-97.40000111.7
42H30.3Very low29.7Very low171 Ų171121.7 Ų121.779%0.79278%0.784SS**  trans59.8138.3145.1-70.8-69.8000126.2
43S27.8Very low29.7Very low94 Ų94124.4 Ų124.466%0.65778%0.78SS**  trans74.493.6136.462.90000123.2
44D29.6Very low30.8Very low152 Ų152119.5 Ų119.581%0.81376%0.762SS**  57.1148.4104-64.8-55.6000124.8
45S34.1Very low30.8Very low121 Ų121122.5 Ų122.585%0.84676%0.756SS**  trans77.2150156.9-620000119.5
46A32.9Very low31Very low84 Ų84125.3 Ų125.369%0.69475%0.753SS**  cis-170.6163.2-22.800000110.4
47S30.3Very low29.9Very low133 Ų133123.4 Ų123.493%0.9376%0.755SS**  trans66.4158.7165.6-58.30000117.6
48G28.6Very low30Very low72 Ų72128.6 Ų128.674%0.74277%0.765SS**  cis-174.7171-3.700000113.3
49S32.2Very low29.9Very low121 Ų121130 Ų13085%0.84677%0.768SS**  trans-62.3155.9178-1780000113.9
50G30.2Very low29.9Very low65 Ų65127.4 Ų127.467%0.6776%0.763SS**  cis152.1-178-2.400000113.3
51V30.1Very low29.8Very low134 Ų134131.2 Ų131.281%0.81277%0.771SS**  trans66.8115.6161.8-163.60000120.2
52Y23.9Very low30.7Very low223 Ų223131.4 Ų131.488%0.87577%0.771SS**  -176.5175.6115.4-143.5-104.7000113.1
53N27.6Very low30.6Very low137 Ų137132 Ų13273%0.73377%0.773SS**  trans-106.9-172.8-174.1-142.88.8000110.5
54P48.4Very low30.4Very low92 Ų92136.4 Ų136.460%0.59778%0.777SS**  cis-145.8-171.1-6.245.3-25000118.2
55E26.3Very low30.3Very low141 Ų141136.5 Ų136.566%0.65977%0.772SS**  trans80.6141.3142.3-82.8-153.1114.900126.5
56K31.2Very low29.8Very low178 Ų178138.6 Ų138.677%0.77477%0.769SS**  trans74.7137.2143.8-76.7163.7174.9136.60122.9
57G27.1Very low30.1Very low78 Ų78139.3 Ų139.380%0.80477%0.766SS**  trans151121155.800000116.3
58H28.6Very low29.7Very low188 Ų188138.5 Ų138.587%0.8776%0.761SS**  trans-115.4153.3168.3-76.9-113.3000110.3
59Q29.1Very low29.9Very low168 Ų168139.7 Ų139.779%0.78576%0.763SS**  160.3137.6108.9-84.4-163.422.600116.2
60N26Very low29.6Very low142 Ų142140.6 Ų140.676%0.75976%0.763SS**  trans75149.2138-77.1-40.6000126.4
61L26.2Very low29.3Very low162 Ų162142 Ų14285%0.84875%0.751SS**  trans-69.7-177.7169.2-122.860.8000111.8
62P44.6Very low29Very low104 Ų104144.5 Ų144.568%0.67575%0.746SS**  cis-141.2177.12.142.4-24.5000117.2
63H27.4Very low28.9Very low182 Ų182142.8 Ų142.884%0.84375%0.749SS**  -176.5-173.7110.6-139.963.2000112.5
64Y24.6Very low28.7Very low187 Ų187145 Ų14573%0.73375%0.754SS**  trans-147.3154.1-158.1-172.3-116.7000114.3
65Q26.8Very low27.5Very low154 Ų154147.8 Ų147.872%0.7276%0.764SS**  trans69.9132.8178.4-76.8177.6112.700116.6
66Q24.9Very low28Very low165 Ų165146 Ų14677%0.77177%0.765SS**  72147.862.8-74-92.710.300113.3
67P38.1Very low27.7Very low99 Ų99144.3 Ų144.364%0.64376%0.763SS**  cis-139.8-177.95.541.4-22.9000117.7
68S22.1Very low27.6Very low116 Ų116148.6 Ų148.681%0.81176%0.763SS**  trans73.5167.314669.80000121.3
69A33.1Very low27.4Very low97 Ų97143.8 Ų143.880%0.80276%0.756SS**  trans-148151.3-17000000113.8
70V26.2Very low27.6Very low140 Ų140142.1 Ų142.185%0.84876%0.759SS**  trans-150.9128.7175-176.50000104.9
71K22.7Very low27.6Very low96 Ų96138.3 Ų138.342%0.41775%0.753SS.*  cis96.5109.537.4-172173.1169.4179.40112.4D574 E576K71-D574 WeakPolarHBondContact CE-OD2 3.36Å; K71-D574 IonicContact NZ-OD1 2.67Å; K71-D574 PolarHBondContact NZ-OD1 3.49Å; K71-D574 IonicContact NZ-OD2 3.83Å; K71-D574 PolarHBondContact NZ-OD2 3.11Å; K71-D574 VanDerWaalsContact NZ-OD2 3.17Å; K71-E576 IonicContact NZ-OE2 3.9Å; K71-E576 PolarHBondContact NZ-OE2 3.4Å
72W23.3Very low27.5Very low186 Ų186142.2 Ų142.271%0.70576%0.757SS**  trans67.3155.8178-51.8138.6000116.8D574W72-D574 HydrophobicContact CZ2-CB 3.78Å
73M23.8Very low26.5Very low187 Ų187142.5 Ų142.592%0.92176%0.757SS**  cis-147.9-171.230.4-140165.1-17000113.4
74Q23.3Very low26.3Very low182 Ų182142.2 Ų142.285%0.8576%0.756SS**  trans-99.1147.7-168.3-70.6175.2-65.400116.2
75D22.1Very low26.4Very low152 Ų152141.9 Ų141.981%0.81376%0.761SS**  trans21.2153.5131.6-105.5-23.7000121.1
76P36.8Very low26.3Very low103 Ų103138.6 Ų138.667%0.66976%0.76SS**  -156.3-179.552.444.4-23.2000120.2
77L25.4Very low26.7Very low142 Ų142137 Ų13774%0.74376%0.764SS**  trans81.1138.5157.2-60.4176.8000119.8
78Q24Very low26.2Very low169 Ų169139.1 Ų139.179%0.7978%0.775SS**  cis-168.3149.2-22.3-144.9-176.319.500113.4
79A24.3Very low26.5Very low87 Ų87137.8 Ų137.872%0.71977%0.771SS**  trans62.6169.6150.300000120.4
80P34.8Very low26.3Very low132 Ų132136.7 Ų136.786%0.85777%0.769SS**  cis-117.4177.8-27.635.9-20.8000112.3
81G24.4Very low26.4Very low62 Ų62142.5 Ų142.564%0.63978%0.776SS**  cis161.1154.4-9.400000113.4
82W23.8Very low26.7Very low245 Ų245140.7 Ų140.793%0.92878%0.784SS**  trans69.2132.5165.5-61.859.7000117
83T23.7Very low27.2Very low109 Ų109141 Ų14167%0.66979%0.793SS**  cis76.3134.339.466.40000115
84Q25.1Very low27.4Very low176 Ų176139.6 Ų139.682%0.82279%0.79SS**  cis-167.1176-4.3167.1170.4-8.900109.5
85E25.2Very low27.7Very low181 Ų181140.8 Ų140.885%0.84679%0.793SS**  trans98139.4168.8-59.8-162.6165.400117
86A25.3Very low28Very low85 Ų85136.9 Ų136.970%0.70279%0.788SS**  cis-158.8140.4-21.200000110.7
87P32.5Very low27.9Very low130 Ų130137.6 Ų137.684%0.84479%0.793SS**PPolyproline II helixtrans-94.8135.6175.932.8-29.4000113.5
88V28.5Very low27.9Very low144 Ų144141.5 Ų141.587%0.87380%0.8SS**PPolyproline II helixtrans-79.6152.2169.7176.70000110.2G90V88-G90 PolarHBondContact O-N 2.78Å
89A28.3Very low28.2Very low89 Ų89140.8 Ų140.874%0.73680%0.798SS**PPolyproline II helixtrans-65.3121.3-170.900000114
90G27.9Very low28.4Very low73 Ų73142.2 Ų142.275%0.75380%0.803SS**PPolyproline II helixtrans-72.5142.9163.600000111.3V88 G92V88-G90 PolarHBondContact O-N 2.78Å; G90-G92 PolarHBondContact O-N 3.34Å
91W29.2Very low28Very low262 Ų262141.2 Ų141.299%0.99280%0.799SS**PPolyproline II helixtrans-70.6124.1-177.9-77.936.8000111.4
92G28.3Very low28.1Very low58 Ų58144.5 Ų144.560%0.59881%0.806SS**PPolyproline II helixtrans-84.4145.6175.100000112.2G90 N94G90-G92 PolarHBondContact O-N 3.34Å; G92-N94 PolarHBondContact O-N 3.22Å
93Q35.1Very low28.2Very low192 Ų192141 Ų14190%0.89781%0.805SS**  trans-67.4114.4174.1-67.1178.8-13.100110.6F95Q93-F95 PolarHBondContact O-N 3.05Å
94N26.5Very low28.3Very low159 Ų159141.9 Ų141.985%0.8581%0.811SS**  trans-90.997.5177.4-76.5-47.5000111.3G92G92-N94 PolarHBondContact O-N 3.22Å
95F30Very low28.4Very low206 Ų206144.2 Ų144.290%0.90481%0.812SS**  trans-115.792156-84.9-71.7000109.2Q93Q93-F95 PolarHBondContact O-N 3.05Å
96G29.4Very low28.4Very low70 Ų70141.4 Ų141.472%0.72280%0.803SS**PPolyproline II helixtrans-82149175.400000112.4
97P34.6Very low28.5Very low119 Ų119145.7 Ų145.777%0.77381%0.808SS**PPolyproline II helixtrans-78.7126.417531.4-32.8000111.1
98Y26.2Very low28.2Very low224 Ų224148.9 Ų148.988%0.87881%0.814SS**PPolyproline II helixtrans-67.3141179.4-170-98.1000112.7
99M29.8Very low27.9Very low153 Ų153145.9 Ų145.975%0.75480%0.804SS**PPolyproline II helixtrans-98.1124.8-176.7-78.3-76.4174.600111.7
100S27.4Very low27.7Very low117 Ų117150.6 Ų150.682%0.81881%0.809SS**PPolyproline II helixtrans-77122.2160.2-1750000108.9
101S27.7Very low27.6Very low111 Ų111155.8 Ų155.878%0.77681%0.813SS**PPolyproline II helixtrans-67.3150.3179.850.60000113
102V25.8Very low27.3Very low131 Ų131152.1 Ų152.179%0.79480%0.804SS**PPolyproline II helixtrans-74.4153.4170.3-84.50000111.6
103N26.9Very low27.2Very low171 Ų171152.9 Ų152.991%0.91481%0.812SS**  trans-134.3127.1160.8-123.1-22.5000108.6
104V25.7Very low26.7Very low128 Ų128149.1 Ų149.178%0.77680%0.802SS**  trans-145.295.7-175.7179.10000109.7
105R27Very low26.7Very low225 Ų225149 Ų14985%0.84980%0.796SS**  trans173.3153.4154-101-179137.8135.81.7108.5
106D24.6Very low26.3Very low122 Ų122146.8 Ų146.865%0.65279%0.788SS**  cis-141.1172-7-138.6-27.6000110.8
107Q27.1Very low26.1Very low175 Ų175146.4 Ų146.482%0.81879%0.785SS**  trans-97.3137.6170.6-681776000111
108M26.3Very low25.6Very low197 Ų197147.5 Ų147.597%0.9779%0.789SS**  trans-144.4152.2144.7-78.6-150.9174.600110.6
109A23.2Very low25.4Very low81 Ų81140.8 Ų140.867%0.66978%0.78SS**  trans-150.8173.1-179.400000109.5
110F22.9Very low25.1Very low188 Ų188140.9 Ų140.983%0.82578%0.78SS**  trans69.6151.4-169-53.5-86.3000113.5
111H25.5Very low25.4Very low183 Ų183141.1 Ų141.185%0.84778%0.779SS**  cis-110.2155.42.6-100.2-92.6000113.8
112K23.2Very low25.1Very low184 Ų184143.9 Ų143.980%0.878%0.782SS**  trans-104.3116.9167.2-175.2-174-178.6-169.90107.7V114K112-V114 HydrophobicContact CG-CG2 4.38Å
113G26.3Very low25Very low75 Ų75142 Ų14277%0.77378%0.78SS**  trans-106.2129.917200000110.3
114V23.7Very low24.8Very low112 Ų112138.2 Ų138.268%0.67977%0.773SS**  trans-145.7123.9175.8172.60000107.3K112K112-V114 HydrophobicContact CG-CG2 4.38Å
115H26.7Very low24.8Very low156 Ų156139.8 Ų139.872%0.72277%0.772SS**  trans-155.9164.6139.9-123-99.1000110.6
116E23.1Very low24.8Very low160 Ų160134.3 Ų134.375%0.74876%0.759SS**  trans-39.8171.6176-65.5153.7168.500117.4
117G24.6Very low24.9Very low63 Ų63135 Ų13565%0.64976%0.758SS**  cis124.8170.95.200000112.3
118V23.8Very low24.8Very low142 Ų142133.1 Ų133.186%0.86175%0.753SS**  trans68.1123.6-172.7-169.30000113.2
119A22.9Very low24.7Very low82 Ų82129.6 Ų129.668%0.67874%0.743SS**  cis103.5142.68.500000116.9
120M23.3Very low24.6Very low155 Ų155129.7 Ų129.776%0.76474%0.743SS**  trans74160.2174.2-55.5-54-75.300115.9M122M120-M122 HydrophobicContact CE-CG 4.26Å
121P32.9Very low25.5Very low122 Ų122126.4 Ų126.479%0.79274%0.741SS**  cis-132.2-174.112.944.4-27.3000118.7
122M22.4Very low25.6Very low169 Ų169123.9 Ų123.983%0.83374%0.738SS**  trans-58.1155.8-174.2-51.6163.7173.900118.9M120M120-M122 HydrophobicContact CE-CG 4.26Å
123A22.8Very low25.7Very low92 Ų92123 Ų12376%0.7674%0.737SS**  -175.3138.7119.800000107.9
124A23.2Very low25.7Very low92 Ų92125.1 Ų125.176%0.7674%0.735SS**  cis67.9130.745.800000111.2
125E25.5Very low25.8Very low161 Ų161127.7 Ų127.775%0.75273%0.733SS**  cis-160.9163.532.5-89.9-163.3100.800114.1
126N26.9Very low25.9Very low109 Ų109128.9 Ų128.958%0.58373%0.731SS**  trans70.9153135.9-70.7-10.4000124.6
127Q26.5Very low26.2Very low136 Ų136127.8 Ų127.864%0.63673%0.731SS**  cis-174.1171.8-29.6-137.5-175.794.700112.2
128L25.5Very low26.3Very low137 Ų137129.1 Ų129.172%0.71774%0.736SS**  trans69.9156.8158.7-60.8155.3000117.2
129T23.3Very low26.5Very low123 Ų123127.3 Ų127.376%0.75573%0.729SS**  cis-150.7136.86.1-20.90000106.5
130A20.9Very low27Very low82 Ų82132.6 Ų132.668%0.67874%0.74SS**  cis69147.746.100000114.8
131P42.3Very low27.4Very low120 Ų120129.3 Ų129.378%0.77974%0.737SS**  cis-137.4-141.6-1641.1-19.8000113.5
132V27.3Very low27.2Very low130 Ų130131.6 Ų131.679%0.78874%0.737SS**  trans97.3139.1168.3177.30000117.2
133E25.7Very low27.4Very low165 Ų165128.9 Ų128.977%0.77173%0.73SS**  cis-173.4161.2-40.7-133-176.615900110.4
134V27.1Very low27.7Very low119 Ų119133 Ų13372%0.72173%0.734SS**  trans67.5135.3156.6164.30000117
135Y25.1Very low27.7Very low167 Ų167131.5 Ų131.566%0.65573%0.728SS**  cis-160.6150.519.5-147.1-145.4000112.8
136R29.7Very low27.8Very low180 Ų180135 Ų13568%0.67973%0.734SS**  trans37.3153.6136.5-76.8-157.1-166.9137.511.6124.6
137D27.4Very low27.7Very low138 Ų138132.7 Ų132.774%0.73874%0.736SS**  cis-171.8162.7-19.8-146.9-31.2000110.8
138A27.7Very low27.8Very low91 Ų91133.3 Ų133.375%0.75274%0.743SS**  trans60.7147.7161.300000119.6
139S28.6Very low27.7Very low103 Ų103133.2 Ų133.272%0.7274%0.738SS**  cis-148.5136.46.158.90000113.9
140Q33.4Very low27.9Very low194 Ų194136.6 Ų136.691%0.90774%0.737SS**  trans48.2140.8138.4-64-179.37.800120.9
141A32.1Very low28.4Very low85 Ų85140.7 Ų140.770%0.70274%0.743SS**  cis-160.1178.2-8.200000107
142Q28.6Very low27.8Very low171 Ų171142.7 Ų142.780%0.79974%0.741SS**  cis-156.8127.117.5-150.4162.4-1600106.6
143T26.3Very low28.1Very low111 Ų111144.6 Ų144.668%0.68174%0.741SS**  33.6128.29629.90000114.7
144Q28.2Very low29.1Very low179 Ų179142.2 Ų142.284%0.83674%0.74SS**  cis-146.4174.113.6-86.3141.720.700109.3
145G24.5Very low29.6Very low61 Ų61142.7 Ų142.763%0.62975%0.749SS**  cis131.5141.8300000112
146R27.4Very low30Very low235 Ų235139.3 Ų139.389%0.88776%0.755SS**  trans67.9140.1-168.8-65.6-173.2-93.1-104.44114.5
147G23.4Very low30.2Very low60 Ų60135.9 Ų135.962%0.61977%0.765SS**  cis101.5149.8-300000114.3
148L29.3Very low30.8Very low149 Ų149134 Ų13478%0.7877%0.769SS**  trans70.4150.8-172-46.1176.3000112.8
149E23.7Very low31.5Very low135 Ų135135 Ų13563%0.63177%0.766SS**  cis-171.6-165.4-19.453.2-175.5-153.500108.9
150W28.1Very low32.3Very low194 Ų194139.1 Ų139.174%0.73578%0.776SS**  trans64.889.1174.4-61.7116.6000119.8Q152W150-Q152 PolarHBondContact O-N 3.34Å
151E29.5Very low32.5Very low168 Ų168139.1 Ų139.179%0.78578%0.775SS**  -25.7116121.7175177.5-166.500114.6
152Q30.5Very low33.2Very low161 Ų161143.4 Ų143.475%0.75278%0.781SS**  trans-164.9115.4148.3-120.2174.383.100114.2W150W150-Q152 PolarHBondContact O-N 3.34Å
153H34.2Very low33.8Very low171 Ų171139.5 Ų139.579%0.79278%0.778SS**  trans42.9151.9144.2-74.6-90.2000124
154P45.8Very low34.4Very low115 Ų115143 Ų14375%0.74779%0.787SS**  trans-96.9133.6-16735.9-33.1000115.1
155S37.7Very low35Very low128 Ų128142.8 Ų142.890%0.89579%0.79SS**  trans-176.214.2151.342.20000117.8
156A33.7Very low35.8Very low96 Ų96149.5 Ų149.579%0.79381%0.805SS**  trans-111.2-7-166.800000118.5A158A156-A158 PolarHBondContact O-N 2.88Å
157A34.2Very low36.1Very low108 Ų108142.7 Ų142.789%0.89380%0.799SS**THydrogen-bonded Turntrans-917.3-16500000116.8
158A39.8Very low36.4Very low99 Ų99151.1 Ų151.182%0.81881%0.814SS**THydrogen-bonded Turntrans-95.81.6-169.900000115.8A156A156-A158 PolarHBondContact O-N 2.88Å
159V42.9Very low36.6Very low112 Ų112151.8 Ų151.868%0.67981%0.813SS**SBendtrans-113-26.1-165.8-177.90000114.4H161V159-H161 PolarHBondContact O-N 3.3Å
160M44Very low36.9Very low189 Ų189153.8 Ų153.893%0.93182%0.822SS**THydrogen-bonded Turntrans-83.410.3-169.6-72.2-155.8-70.900117
161H39.6Very low36.9Very low194 Ų194147.8 Ų147.890%0.89882%0.82SS**THydrogen-bonded Turntrans-116.920.2172.1-156.5-77.5000113.6V159V159-H161 PolarHBondContact O-N 3.3Å
162Q45.3Very low36.9Very low175 Ų175149.3 Ų149.382%0.81883%0.827SS**SBendtrans-125.526.8174-152.1179.1-0.300113.3
163A40.8Very low37Very low89 Ų89151.4 Ų151.474%0.73683%0.834SS**SBendtrans-133.528.1-170.700000115.5
164Q40.5Very low36.7Very low185 Ų185146.7 Ų146.786%0.86483%0.831SS**SBendtrans-142.324.8-179.9-146.1-179.91.300116.6
165L39.8Very low35.8Very low175 Ų175147.7 Ų147.792%0.91684%0.835SS**SBendtrans-137.424.2175.2-78.4-179.6000115.2
166Q41.1Very low35.4Very low201 Ų201147.6 Ų147.694%0.93982%0.824SS**SBendtrans-13749.4175.6-70.6-165.1-11.300113.8
167A33.3Very low35.5Very low92 Ų92150 Ų15076%0.7682%0.823SS**  trans-156.658.517300000113.7
168Y30.8Very low35.2Very low238 Ų238153.5 Ų153.593%0.93382%0.821SS**  trans-154.573163.5-121.3-73.7000113.7
169Q32.5Very low34.5Very low162 Ų162152.4 Ų152.476%0.75782%0.819SS**  trans-142.3133.3162.4-94.2-65-4.200110
170H30.2Very low33.7Very low177 Ų177154.7 Ų154.782%0.81982%0.822SS**  trans72.5133.2169.5-67.934.7000119.6
171G28Very low33.8Very low68 Ų68151.3 Ų151.370%0.70182%0.815SS**  trans93.1126.1170.700000113.4
172H30.2Very low33.5Very low201 Ų201149 Ų14993%0.93180%0.804SS**  cis-149.9179.444.9-92.8-94.4000113.5
173K31.8Very low33.1Very low205 Ų205146 Ų14689%0.89180%0.797SS**  trans-120.1129.5-178.4-60.9177.4179.8178.80112.6
174G29.2Very low33.5Very low71 Ų71147.5 Ų147.573%0.73280%0.8SS**  trans61.1167.6140.300000122.3
175V26.5Very low33Very low137 Ų137142.8 Ų142.883%0.8379%0.793SS**  trans70.3126.7153177.90000116.5
176D29.8Very low32.7Very low125 Ų125142.5 Ų142.567%0.66879%0.786SS**  cis-166.9164.9-12.2-123.9-47.2000112.6
177L34.5Very low32.1Very low146 Ų146138 Ų13876%0.76477%0.772SS**  trans60.1159.3154.7-66.4165.9000118.9
178Q27.8Very low32Very low183 Ų183141 Ų14186%0.85577%0.773SS**  cis-150.8151.72.4-158.8167.9-13.900111.5
179G26Very low32.1Very low76 Ų76138 Ų13878%0.78477%0.767SS**  trans153104.1163.100000116.2
180Q26.7Very low31.9Very low159 Ų159133.1 Ų133.174%0.74376%0.761SS**  trans-104142.3174.2-98.6-76.5-43.400110.6
181P46.3Very low33.1Very low119 Ų119130.2 Ų130.277%0.77376%0.757SS**  -143-176.887.7230.1000115.3
182H32.1Very low33.2Very low145 Ų145134.1 Ų134.167%0.67176%0.76SS**  cis-177.9102.6-39.3173.6-92.4000111.8
183V37.5Very low33.2Very low111 Ų111131.1 Ų131.167%0.67375%0.751SS**  trans63.5150.4137.21770000120.8
184P49.8Very low33.2Very low121 Ų121129.6 Ų129.679%0.78675%0.747SS**  cis-113.6174.6-22.633.3-16.4000112
185A29.4Very low34.1Very low87 Ų87131.3 Ų131.372%0.71975%0.745SS**  cis-147.1-166.322.200000110.4
186H33.7Very low34.1Very low168 Ų168134.4 Ų134.478%0.77875%0.747SS**  cis-147.2-134.23.6-150.2-60.1000111.1
187T28.8Very low34.2Very low106 Ų106138 Ų13865%0.6576%0.76SS**  trans-144.8153.3-167.558.90000110.8
188M31.6Very low34Very low157 Ų157135.2 Ų135.277%0.77376%0.759SS**  cis80.4135.722.9-56-63.1174.100114.6
189Q31.9Very low34.1Very low174 Ų174131 Ų13181%0.81375%0.749SS**  cis-157.8-169.5-17.4-142.2-172.598.700110.5
190G27.8Very low34.5Very low60 Ų60136.8 Ų136.862%0.61975%0.753SS**  trans-90-155.5165.700000112.5
191P56.1Low34.5Very low115 Ų115140.9 Ų140.975%0.74776%0.762SS**  cis-140.5-158.2-3.739.8-18.2000114.6
192I29.7Very low33.7Very low150 Ų150140.7 Ų140.777%0.76976%0.764SS**  trans98.9130.3143.4-104.2169.4000123.1
193L30.9Very low33.6Very low138 Ų138141 Ų14172%0.72377%0.77SS**  trans68.8116.1155.7-70171.4000126
194Q31.2Very low33.6Very low173 Ų173145.3 Ų145.381%0.80878%0.78SS**  50.6164.8129.9-79.9-169.2-12.700123.8
195P47.8Very low32.7Very low107 Ų107147.1 Ų147.170%0.69578%0.778SS**  cis-134.4-170.7-29.337.7-18.4000114.7
196F27.8Very low32.8Very low202 Ų202150.6 Ų150.689%0.88678%0.779SS**  trans-18131.5173-75.9-93.7000121.4
197Q30.7Very low32.7Very low200 Ų200152.4 Ų152.494%0.93579%0.785SS**  -163.3179117.7-108.3-178.946.300111.4
198A31.5Very low32.6Very low89 Ų89153.2 Ų153.274%0.73680%0.795SS**  trans-140.3160-157.500000117.3
199S29.9Very low32.7Very low94 Ų94151.7 Ų151.766%0.65780%0.8SS**  trans104.3140.3151.1-42.10000119.5
200F32.7Very low32.7Very low198 Ų198146.5 Ų146.587%0.86879%0.793SS**  trans57.4126.9164.8-47.4-63.8000117.9
201R27.3Very low32.8Very low244 Ų244155.3 Ų155.392%0.92181%0.809SS**  cis-137.4163.430.7-72-175.4173.5-148.2-0.4114.1
202S30.6Very low31.6Very low116 Ų116160 Ų16081%0.81181%0.814SS**  trans-83.3157.9165.547.20000112.5
203N28.8Very low31.7Very low150 Ų150158.1 Ų158.180%0.80281%0.814SS**  trans-135.7134.6154.4-165.9-4.5000109.5
204K37.4Very low31.6Very low202 Ų202157.6 Ų157.688%0.87882%0.816SS**  trans-159.1105.8-178.5-115.1-167.2178.7-173.80109
205Q31.6Very low31.8Very low160 Ų160158.4 Ų158.475%0.74882%0.817SS**  trans-150.7143.1170.5-86.2-169.4-36.400108.6
206Q30.5Very low31.6Very low160 Ų160159.4 Ų159.475%0.74882%0.824SS**  cis-158.2157.9-14.8-140.7165-28.300109.9
207F32.2Very low31.8Very low205 Ų205153.8 Ų153.890%0.89981%0.814SS**  trans-90.6157.2160.2-80.1-92.2000109.7
208S25.7Very low31.9Very low123 Ų123150.7 Ų150.786%0.8681%0.805SS**  trans-139.2150.8162.157.60000110.4
209S33.9Very low32.5Very low125 Ų125155.9 Ų155.987%0.87481%0.81SS**  trans-158.4136.9-175.8179.60000111.1
210G31.8Very low32.7Very low65 Ų65155.2 Ų155.267%0.6782%0.818SS**  trans75.7125.4156.600000118.5
211Y31.4Very low33.2Very low246 Ų246153.4 Ų153.497%0.96582%0.816SS**  trans-151166.3140.2-119.9-83000109.9
212Y30.9Very low33.5Very low214 Ų214149.7 Ų149.784%0.83981%0.813SS**  trans-114.9137.1-157-153.4-92.1000112.3
213S30.5Very low34Very low109 Ų109154.8 Ų154.876%0.76282%0.816SS**  trans-168.4119.5155.8-88.80000115.9
214V29.6Very low34.4Very low128 Ų128151.6 Ų151.678%0.77682%0.818SS**  trans59.9124.4130.2-174.20000120.6
215F35.8Very low34.3Very low189 Ų189151 Ų15183%0.82982%0.819SS**  trans-63.9150166.2-77.5-93.3000112.8
216P42.5Very low35.1Very low128 Ų128152.1 Ų152.183%0.83182%0.824SS**  -132.5163.6100.938.2-31.7000113.3
217A31.7Very low36Very low84 Ų84149.9 Ų149.969%0.69482%0.823SS**  trans-106.4128-17900000113
218N33.8Very low37Very low136 Ų136147.6 Ų147.673%0.72781%0.813SS**  trans-169.9137.1133.2-111.5-57.1000114.2
219K44.1Very low38.8Very low197 Ų197146.3 Ų146.386%0.85780%0.8SS**  trans21.5125146.5-59.8165-169.3173.90120.2
220G33.8Very low40.3Very low80 Ų80148.2 Ų148.283%0.82580%0.795SS**  trans180113.9155.900000113.3
221I44Very low42Very low160 Ų160152.9 Ų152.982%0.82180%0.799SS**  trans-104.2120.7174.1-57.9168.2000108.8
222I33.7Very low44Very low166 Ų166147 Ų14785%0.85178%0.781SS**  trans-145139.3154.4-66.8-168.2000108.9
223Y41.3Very low46.1Very low224 Ų224141.5 Ų141.588%0.87877%0.765SS**  trans-87.8152172.8-98.1-103.9000111.7
224G35.5Very low48.3Very low83 Ų83141 Ų14186%0.85675%0.753SS**  trans-17365.1176.900000116.8
225E35.8Very low50.8Low189 Ų189139.8 Ų139.888%0.88374%0.739SS**  trans-122.9126162.4-164.8174.6-149.800108.9
226Q47.9Very low53.1Low184 Ų184136.6 Ų136.686%0.8673%0.726SS**PPolyproline II helixtrans-78.9130.5-175.7-84.1-162.3-6.800111.8K228Q226-K228 PolarHBondContact O-N 3.38Å
227P49.6Very low55Low112 Ų112134.7 Ų134.773%0.72771%0.708SS**PPolyproline II helixtrans-69.412716829.4-32.7000109.7T229P227-T229 PolarHBondContact O-N 3.12Å
228K53.4Low57.5Low157 Ų157136.1 Ų136.168%0.68370%0.7SS**PPolyproline II helixtrans-54.9128.9166-67.9177.1-177.8172.50108.4Q226 Q230Q226-K228 PolarHBondContact O-N 3.38Å; K228-Q230 PolarHBondContact O-N 3.23Å
229T64.6Low59.9Low97 Ų97134.8 Ų134.860%0.59569%0.689SS**PPolyproline II helixtrans-58138.5-172.150.30000111.1P227 Q231 Q232P227-T229 PolarHBondContact O-N 3.12Å; T229-Q231 PolarHBondContact O-N 3.21Å; T229-Q232 WeakPolarHBondContact O-CB 3.37Å; T229-Q232 PolarHBondContact O-N 3.06Å
230Q64.7Low61.9Low164 Ų164131.5 Ų131.577%0.76668%0.677SS**Hα-helixtrans-53.1-34.6-170.3-168.1177.41900113.1K228 Q232 I233 L234K228-Q230 PolarHBondContact O-N 3.23Å; Q230-Q232 PolarHBondContact O-N 3.18Å; Q230-I233 PolarHBondContact O-N 3.31Å; Q230-L234 PolarHBondContact O-N 2.73Å; Q230-L234 VanDerWaalsContact O-N 3.11Å
231Q68Low64.3Low163 Ų163133.4 Ų133.476%0.76266%0.664SS**Hα-helixtrans-61.4-38.4175.4-67.8178.8-14.400113.5T229 L234 H235T229-Q231 PolarHBondContact O-N 3.21Å; Q231-L234 PolarHBondContact O-N 3.27Å; Q231-H235 WeakPolarHBondContact O-CB 3.45Å; Q231-H235 PolarHBondContact O-N 2.82Å
232Q72Confident66.3Low122 Ų122132.1 Ų132.157%0.5766%0.656SS**Hα-helixtrans-69.6-36.2-178.1-164.1-179.951.700111.6T229 Q230 Q236T229-Q232 WeakPolarHBondContact O-CB 3.37Å; T229-Q232 PolarHBondContact O-N 3.06Å; Q230-Q232 PolarHBondContact O-N 3.18Å; Q232-Q236 WeakPolarHBondContact O-CB 3.26Å; Q232-Q236 PolarHBondContact O-N 2.65Å
233I76Confident68.8Low99 Ų99131.1 Ų131.151%0.50865%0.648SS.*Hα-helixtrans-66.9-42.9173.3-59.6174.6000110.3Q230 Q236 M237Q230-I233 PolarHBondContact O-N 3.31Å; I233-Q236 PolarHBondContact O-N 3.4Å; I233-M237 WeakPolarHBondContact O-CB 3.32Å; I233-M237 PolarHBondContact O-N 2.98Å
234L75.8Confident71Confident100 Ų100126.7 Ų126.752%0.52464%0.635SS.*Hα-helixtrans-64.2-42178.2-133.4163.9000111.7Q230 Q231 M237 Q238Q230-L234 PolarHBondContact O-N 2.73Å; Q230-L234 VanDerWaalsContact O-N 3.11Å; Q231-L234 PolarHBondContact O-N 3.27Å; L234-M237 HydrophobicContact CD2-CE 4.07Å; L234-M237 HydrophobicContact CG-CE 4.28Å; L234-M237 PolarHBondContact O-N 3.49Å; L234-Q238 PolarHBondContact O-N 2.7Å
235H83.1Confident73.5Confident102 Ų102128.2 Ų128.247%0.47262%0.62SS.*Hα-helixtrans-66.9-40.7176.1-166.372.7000112.3Q231 M237 Q238 Q239Q231-H235 WeakPolarHBondContact O-CB 3.45Å; Q231-H235 PolarHBondContact O-N 2.82Å; H235-M237 VanDerWaalsContact C-N 3.35Å; H235-M237 PolarHBondContact O-N 3.46Å; H235-Q238 PolarHBondContact O-N 3.49Å; H235-Q239 PolarHBondContact CD2-NE2 2.78Å; H235-Q239 PolarHBondContact NE2-NE2 2.93Å; H235-Q239 WeakPolarHBondContact O-CG 3.22Å; H235-Q239 PolarHBondContact O-N 3.42Å
236Q84.1Confident76.1Confident121 Ų121124.3 Ų124.357%0.56560%0.601SS**Hα-helixtrans-62.6-40.4173.8180167.493.700112.1Q232 I233 Q239 Q240Q232-Q236 WeakPolarHBondContact O-CB 3.26Å; Q232-Q236 PolarHBondContact O-N 2.65Å; I233-Q236 PolarHBondContact O-N 3.4Å; Q236-Q239 PolarHBondContact O-N 2.99Å; Q236-Q240 WeakPolarHBondContact O-CG 3.46Å; Q236-Q240 PolarHBondContact O-N 3.19Å
237M81.6Confident78.1Confident89 Ų89120.1 Ų120.144%0.43858%0.582SS.*Hα-helixtrans-63.7-40.8174.9-176-113.3-65.600111.8I233 L234 H235 Q240 Q241I233-M237 WeakPolarHBondContact O-CB 3.32Å; I233-M237 PolarHBondContact O-N 2.98Å; L234-M237 HydrophobicContact CD2-CE 4.07Å; L234-M237 HydrophobicContact CG-CE 4.28Å; L234-M237 PolarHBondContact O-N 3.49Å; H235-M237 VanDerWaalsContact C-N 3.35Å; H235-M237 PolarHBondContact O-N 3.46Å; M237-Q240 PolarHBondContact O-N 2.94Å; M237-Q241 WeakPolarHBondContact O-CG 3.28Å; M237-Q241 PolarHBondContact O-N 3.08Å; M237-Q241 PolarHBondContact SD-NE2 2.87Å
238Q85.6Confident80.1Confident113 Ų113119.5 Ų119.553%0.52857%0.569SS.*Hα-helixtrans-65-41.3175.6-170.5173.14600112.5L234 H235 Q240 Q241 M242L234-Q238 PolarHBondContact O-N 2.7Å; H235-Q238 PolarHBondContact O-N 3.49Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q238-Q241 PolarHBondContact O-N 3.35Å; Q238-M242 PolarHBondContact O-N 2.96Å
239Q84.2Confident81.9Confident108 Ų108117.3 Ų117.351%0.50556%0.561SS.*Hα-helixtrans-62.6-39.6174-71.4-177.45.200112.2H235 Q236 M242 H243H235-Q239 PolarHBondContact CD2-NE2 2.78Å; H235-Q239 PolarHBondContact NE2-NE2 2.93Å; H235-Q239 WeakPolarHBondContact O-CG 3.22Å; H235-Q239 PolarHBondContact O-N 3.42Å; Q236-Q239 PolarHBondContact O-N 2.99Å; Q239-M242 PolarHBondContact O-N 3.48Å; Q239-H243 PolarHBondContact O-N 3.46Å
240Q84.8Confident83.1Confident128 Ų128117.7 Ų117.760%0.59856%0.556SS**Hα-helixtrans-65.4-38.7175.2-72.9-179.98.800112.5Q236 M237 Q238 H243 H244Q236-Q240 WeakPolarHBondContact O-CG 3.46Å; Q236-Q240 PolarHBondContact O-N 3.19Å; M237-Q240 PolarHBondContact O-N 2.94Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q240-H243 PolarHBondContact O-N 2.92Å; Q240-H244 WeakPolarHBondContact O-CB 3.43Å; Q240-H244 PolarHBondContact O-N 2.96Å
241Q84.6Confident84.3Confident120 Ų120115 Ų11556%0.56154%0.543SS*.Hα-helixtrans-63.3-43.3174.2-71.7-179.19.400112.1M237 Q238 H243 H244 H245M237-Q241 WeakPolarHBondContact O-CG 3.28Å; M237-Q241 PolarHBondContact O-N 3.08Å; M237-Q241 PolarHBondContact SD-NE2 2.87Å; Q238-Q241 PolarHBondContact O-N 3.35Å; Q241-H243 PolarHBondContact O-N 2.71Å; Q241-H244 PolarHBondContact O-N 2.73Å; Q241-H245 PolarHBondContact O-N 2.94Å
242M85.8Confident85.4Confident133 Ų133113.6 Ų113.666%0.65554%0.537SS*.Hα-helixtrans-59.1-46.1174.3-78.5-66.5-67.800112.1Q238 Q239 H244 H245 H246Q238-M242 PolarHBondContact O-N 2.96Å; Q239-M242 PolarHBondContact O-N 3.48Å; M242-H244 PolarHBondContact O-N 3.44Å; M242-H245 PolarHBondContact O-N 3.17Å; M242-H246 PolarHBondContact O-N 3.48Å
243H85.9Confident86.4Confident145 Ų145114.4 Ų114.467%0.67154%0.541SS*.Hα-helixtrans-62.5-40.4176.4-107.1-68.4000112.8Q239 Q240 Q241 H247Q239-H243 PolarHBondContact O-N 3.46Å; Q240-H243 PolarHBondContact O-N 2.92Å; Q241-H243 PolarHBondContact O-N 2.71Å; H243-H247 WeakPolarHBondContact O-CB 3.49Å; H243-H247 PolarHBondContact O-N 3.44Å
244H87.3Confident87.1Confident131 Ų131116 Ų11661%0.60655%0.546SS*.Hα-helixtrans-65-43.6177.2-169.181.1000111.8Q240 Q241 M242 H247 Q248Q240-H244 WeakPolarHBondContact O-CB 3.43Å; Q240-H244 PolarHBondContact O-N 2.96Å; Q241-H244 PolarHBondContact O-N 2.73Å; M242-H244 PolarHBondContact O-N 3.44Å; H244-H247 PolarHBondContact O-N 3.33Å; H244-Q248 WeakPolarHBondContact O-CB 3.42Å; H244-Q248 PolarHBondContact O-N 3.27Å
245H88.5Confident87.9Confident116 Ų116118 Ų11854%0.53755%0.553SS.*Hα-helixtrans-63.7-44.5177.8-17070.3000112.1Q241 M242 H247 Q248 Q249Q241-H245 PolarHBondContact O-N 2.94Å; M242-H245 PolarHBondContact O-N 3.17Å; H245-H247 PolarHBondContact O-N 3.38Å; H245-Q248 PolarHBondContact O-N 3.25Å; H245-Q249 WeakPolarHBondContact O-CB 3.33Å; H245-Q249 PolarHBondContact O-N 2.93Å
246H90.1Very high88.3Confident107 Ų107119.7 Ų119.750%0.49556%0.561SS.*Hα-helixtrans-62.6-41.7176.4-173.468.1000112.2M242 Q249 Q250M242-H246 PolarHBondContact O-N 3.48Å; H246-Q249 PolarHBondContact O-N 3.24Å; H246-Q250 WeakPolarHBondContact O-CB 3.22Å; H246-Q250 PolarHBondContact O-N 3.34Å
247H90.5Very high88.7Confident96 Ų96120.5 Ų120.544%0.44457%0.565SS.*Hα-helixtrans-64.7-40.1175.9-171.366.4000112.3H243 H244 H245 Q250 Q251H243-H247 WeakPolarHBondContact O-CB 3.49Å; H243-H247 PolarHBondContact O-N 3.44Å; H244-H247 PolarHBondContact O-N 3.33Å; H245-H247 PolarHBondContact O-N 3.38Å; H247-Q250 PolarHBondContact O-N 3.3Å; H247-Q251 PolarHBondContact CD2-NE2 3.32Å; H247-Q251 PolarHBondContact NE2-NE2 3.15Å; H247-Q251 WeakPolarHBondContact O-CG 3.3Å; H247-Q251 PolarHBondContact O-N 2.95Å
248Q90.8Very high89.2Confident98 Ų98122 Ų12246%0.45857%0.57SS.*Hα-helixtrans-63.4-41.1175.2-170.9178.639.600112.1H244 H245 Q251 Q252H244-Q248 WeakPolarHBondContact O-CB 3.42Å; H244-Q248 PolarHBondContact O-N 3.27Å; H245-Q248 PolarHBondContact O-N 3.25Å; Q248-Q251 PolarHBondContact O-N 3.06Å; Q248-Q252 PolarHBondContact O-N 3.24Å; Q248-Q252 VanDerWaalsContact O-N 3.09Å
249Q91Very high89.5Confident111 Ų111123 Ų12352%0.51958%0.575SS.*Hα-helixtrans-63.8-42.6175.4-171.317949.600111.7H245 H246 Q252 Q253H245-Q249 WeakPolarHBondContact O-CB 3.33Å; H245-Q249 PolarHBondContact O-N 2.93Å; H246-Q249 PolarHBondContact O-N 3.24Å; Q249-Q252 PolarHBondContact O-N 3.05Å; Q249-Q253 PolarHBondContact O-N 3.4Å
250Q91.2Very high89.9Confident105 Ų105124.4 Ų124.449%0.49158%0.582SS.*Hα-helixtrans-63.7-40.3176.8-170174.86800112.1H246 H247 Q253 Q254H246-Q250 WeakPolarHBondContact O-CB 3.22Å; H246-Q250 PolarHBondContact O-N 3.34Å; H247-Q250 PolarHBondContact O-N 3.3Å; Q250-Q253 PolarHBondContact O-N 3.07Å; Q250-Q254 WeakPolarHBondContact O-CB 3.46Å; Q250-Q254 PolarHBondContact O-N 3.3Å
251Q89.8Confident90.3Very high108 Ų108124 Ų12451%0.50558%0.58SS.*Hα-helixtrans-62.1-44.6173-72.7-170.620.400112.4H247 Q248 Q253 Q254 Q255H247-Q251 PolarHBondContact CD2-NE2 3.32Å; H247-Q251 PolarHBondContact NE2-NE2 3.15Å; H247-Q251 WeakPolarHBondContact O-CG 3.3Å; H247-Q251 PolarHBondContact O-N 2.95Å; Q248-Q251 PolarHBondContact O-N 3.06Å; Q251-Q253 VanDerWaalsContact C-N 3.35Å; Q251-Q253 PolarHBondContact O-N 3.29Å; Q251-Q254 PolarHBondContact O-N 2.65Å; Q251-Q255 WeakPolarHBondContact O-CB 3.48Å; Q251-Q255 PolarHBondContact O-N 2.94Å
252Q90.6Very high90.6Very high133 Ų133124.2 Ų124.262%0.62158%0.581SS**Hα-helixtrans-60.1-43.9176.4-76.6-1702.600112.1Q248 Q249 Q255 Q256Q248-Q252 PolarHBondContact O-N 3.24Å; Q248-Q252 VanDerWaalsContact O-N 3.09Å; Q249-Q252 PolarHBondContact O-N 3.05Å; Q252-Q255 PolarHBondContact O-N 3.23Å; Q252-Q256 WeakPolarHBondContact O-CB 3.35Å; Q252-Q256 PolarHBondContact O-N 3.41Å
253Q92.3Very high91Very high140 Ų140121.1 Ų121.165%0.65457%0.565SS**Hα-helixtrans-64-43-179.5-167.9175.778.900111.7Q249 Q250 Q251 Q256 Q257Q249-Q253 PolarHBondContact O-N 3.4Å; Q250-Q253 PolarHBondContact O-N 3.07Å; Q251-Q253 VanDerWaalsContact C-N 3.35Å; Q251-Q253 PolarHBondContact O-N 3.29Å; Q253-Q256 PolarHBondContact O-N 2.99Å; Q253-Q257 WeakPolarHBondContact O-CB 3.28Å; Q253-Q257 PolarHBondContact O-N 3.37Å
254Q91.5Very high91.3Very high132 Ų132120.1 Ų120.162%0.61756%0.56SS**Hα-helixtrans-64.9-40.5176.1-169174.592.900112.1Q250 Q251 Q257 Q258Q250-Q254 WeakPolarHBondContact O-CB 3.46Å; Q250-Q254 PolarHBondContact O-N 3.3Å; Q251-Q254 PolarHBondContact O-N 2.65Å; Q254-Q257 PolarHBondContact O-N 3.21Å; Q254-Q258 WeakPolarHBondContact O-CB 3.5Å; Q254-Q258 PolarHBondContact O-N 3.18Å
255Q91.8Very high91.5Very high142 Ų142119.3 Ų119.366%0.66456%0.557SS**Hα-helixtrans-66.4-39.3177.2-164.117699.600112Q251 Q252 Q258 Q259Q251-Q255 WeakPolarHBondContact O-CB 3.48Å; Q251-Q255 PolarHBondContact O-N 2.94Å; Q252-Q255 PolarHBondContact O-N 3.23Å; Q255-Q258 PolarHBondContact O-N 3.1Å; Q255-Q259 WeakPolarHBondContact O-CB 3.29Å; Q255-Q259 PolarHBondContact O-N 3.29Å
256Q92.1Very high91.7Very high137 Ų137118.6 Ų118.664%0.6455%0.554SS**Hα-helixtrans-66-40.7175.4-171.7174.3100.500112.1Q252 Q253 Q259 Q260Q252-Q256 WeakPolarHBondContact O-CB 3.35Å; Q252-Q256 PolarHBondContact O-N 3.41Å; Q253-Q256 PolarHBondContact O-N 2.99Å; Q256-Q259 PolarHBondContact O-N 3.49Å; Q256-Q260 WeakPolarHBondContact O-CB 3.47Å; Q256-Q260 PolarHBondContact O-N 2.89Å
257Q92.4Very high91.7Very high139 Ų139117.8 Ų117.865%0.6555%0.55SS**Hα-helixtrans-64.4-41.9176.2-165.8176.675.200111.7Q253 Q254 Q260 Q261Q253-Q257 WeakPolarHBondContact O-CB 3.28Å; Q253-Q257 PolarHBondContact O-N 3.37Å; Q254-Q257 PolarHBondContact O-N 3.21Å; Q257-Q260 PolarHBondContact O-N 3.04Å; Q257-Q261 PolarHBondContact O-N 2.94Å
258Q92.2Very high91.8Very high120 Ų120119.3 Ų119.356%0.56156%0.558SS**Hα-helixtrans-65.4-40.1176.1-168.417695.400112.5Q254 Q255 Q261 Q262Q254-Q258 WeakPolarHBondContact O-CB 3.5Å; Q254-Q258 PolarHBondContact O-N 3.18Å; Q255-Q258 PolarHBondContact O-N 3.1Å; Q258-Q261 PolarHBondContact O-N 2.95Å; Q258-Q262 PolarHBondContact O-N 3.28Å; Q258-Q262 VanDerWaalsContact O-N 3.09Å
259Q92.6Very high91.9Very high134 Ų134120.5 Ų120.563%0.62656%0.563SS**Hα-helixtrans-64.1-39.9174.1-175.817988.400112.1Q255 Q256 Q261 Q262 Q263Q255-Q259 WeakPolarHBondContact O-CB 3.29Å; Q255-Q259 PolarHBondContact O-N 3.29Å; Q256-Q259 PolarHBondContact O-N 3.49Å; Q259-Q261 VanDerWaalsContact C-N 3.34Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q259-Q262 PolarHBondContact O-N 2.86Å; Q259-Q263 PolarHBondContact O-N 3.42Å; Q259-Q263 VanDerWaalsContact O-N 3.08Å
260Q92.3Very high92Very high137 Ų137119.1 Ų119.164%0.6456%0.558SS**Hα-helixtrans-63.7-39.8176.5-168.6174.69400111.7Q256 Q257 Q263 Q264Q256-Q260 WeakPolarHBondContact O-CB 3.47Å; Q256-Q260 PolarHBondContact O-N 2.89Å; Q257-Q260 PolarHBondContact O-N 3.04Å; Q260-Q263 PolarHBondContact O-N 2.92Å; Q260-Q264 PolarHBondContact O-N 3.1Å
261Q92.8Very high92.1Very high119 Ų119120.4 Ų120.456%0.55656%0.564SS**Hα-helixtrans-66.2-42.6176.9-166.1175.578.400112.6Q257 Q258 Q259 Q263 Q264 Q265Q257-Q261 PolarHBondContact O-N 2.94Å; Q258-Q261 PolarHBondContact O-N 2.95Å; Q259-Q261 VanDerWaalsContact C-N 3.34Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q261-Q263 VanDerWaalsContact C-N 3.33Å; Q261-Q263 PolarHBondContact O-N 3.32Å; Q261-Q264 WeakPolarHBondContact O-CB 3.44Å; Q261-Q264 PolarHBondContact O-N 2.99Å; Q261-Q265 PolarHBondContact O-N 2.97Å; Q261-Q265 VanDerWaalsContact O-N 3.11Å
262Q92.1Very high92.2Very high126 Ų126121.1 Ų121.159%0.58957%0.567SS**Hα-helixtrans-58.9-43.7171.7-76.3-171.40.800112.1Q258 Q259 Q264 Q265 Q266Q258-Q262 PolarHBondContact O-N 3.28Å; Q258-Q262 VanDerWaalsContact O-N 3.09Å; Q259-Q262 PolarHBondContact O-N 2.86Å; Q262-Q264 PolarHBondContact O-N 3.3Å; Q262-Q265 PolarHBondContact O-N 3.33Å; Q262-Q266 WeakPolarHBondContact O-CB 3.25Å; Q262-Q266 PolarHBondContact O-N 2.94Å
263Q92.3Very high92.4Very high67 Ų67120.1 Ų120.131%0.31356%0.563SS.*Hα-helixtrans-64.5-31179.2-161.7-173.199.400111.8Q259 Q260 Q261 Q267Q259-Q263 PolarHBondContact O-N 3.42Å; Q259-Q263 VanDerWaalsContact O-N 3.08Å; Q260-Q263 PolarHBondContact O-N 2.92Å; Q261-Q263 VanDerWaalsContact C-N 3.33Å; Q261-Q263 PolarHBondContact O-N 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.42Å; Q263-Q267 PolarHBondContact O-N 3.5Å; Q263-Q267 PolarHBondContact O-NE2 3.46Å
264Q92.4Very high92.4Very high125 Ų125118.5 Ų118.558%0.58456%0.558SS**Hα-helixtrans-69.6-46.1175.3-154.6173.742.500111.7Q260 Q261 Q262 Q266 Q267 Q268Q260-Q264 PolarHBondContact O-N 3.1Å; Q261-Q264 WeakPolarHBondContact O-CB 3.44Å; Q261-Q264 PolarHBondContact O-N 2.99Å; Q262-Q264 PolarHBondContact O-N 3.3Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q266 PolarHBondContact O-N 3.12Å; Q264-Q267 PolarHBondContact O-N 2.95Å; Q264-Q268 PolarHBondContact O-N 3.26Å; Q264-Q268 VanDerWaalsContact O-N 3.13Å
265Q91.8Very high92.5Very high114 Ų114117.9 Ų117.953%0.53356%0.555SS.*Hα-helixtrans-60.2-41.2174.2-67.7175.43.200112.2Q261 Q262 Q267 Q268 H269Q261-Q265 PolarHBondContact O-N 2.97Å; Q261-Q265 VanDerWaalsContact O-N 3.11Å; Q262-Q265 PolarHBondContact O-N 3.33Å; Q265-Q267 VanDerWaalsContact C-N 3.34Å; Q265-Q267 PolarHBondContact O-N 3.31Å; Q265-Q268 PolarHBondContact O-N 3.33Å; Q265-H269 PolarHBondContact O-N 3.38Å
266Q92.5Very high92.5Very high100 Ų100115.7 Ų115.747%0.46755%0.547SS..Hα-helixtrans-63-38.7177.7-173.3173.883.100112.3Q262 Q264 H269 I270Q262-Q266 WeakPolarHBondContact O-CB 3.25Å; Q262-Q266 PolarHBondContact O-N 2.94Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q266 PolarHBondContact O-N 3.12Å; Q266-H269 PolarHBondContact O-N 2.93Å; Q266-I270 HydrophobicContact CG-CD1 4.23Å; Q266-I270 WeakPolarHBondContact O-CG1 3.48Å; Q266-I270 PolarHBondContact O-N 3.25Å; Q266-I270 VanDerWaalsContact O-N 3.1Å
267Q91.6Very high92.6Very high90 Ų90115.2 Ų115.242%0.42155%0.545SS..Hα-helixtrans-66.7-38.4174.9-74164114.100112.1Q263 Q264 Q265 I270 H271Q263-Q267 WeakPolarHBondContact O-CG 3.42Å; Q263-Q267 PolarHBondContact O-N 3.5Å; Q263-Q267 PolarHBondContact O-NE2 3.46Å; Q264-Q267 PolarHBondContact O-N 2.95Å; Q265-Q267 VanDerWaalsContact C-N 3.34Å; Q265-Q267 PolarHBondContact O-N 3.31Å; Q267-I270 PolarHBondContact O-N 2.75Å; Q267-H271 PolarHBondContact O-N 2.66Å
268Q91.5Very high92.5Very high129 Ų129115.6 Ų115.660%0.60355%0.547SS*.Hα-helixtrans-62.5-43.9174.3-70.7173.7-19.400111.9Q264 Q265 H271 Q272Q264-Q268 PolarHBondContact O-N 3.26Å; Q264-Q268 VanDerWaalsContact O-N 3.13Å; Q265-Q268 PolarHBondContact O-N 3.33Å; Q268-H271 PolarHBondContact O-N 3.41Å; Q268-Q272 PolarHBondContact O-N 3.27Å
269H92.4Very high92.5Very high123 Ų123116.5 Ų116.557%0.56955%0.551SS**Hα-helixtrans-62.2-43.6177.2-171.6-69.6000112.3Q265 Q266 H271 Q272 Q273Q265-H269 PolarHBondContact O-N 3.38Å; Q266-H269 PolarHBondContact O-N 2.93Å; H269-H271 VanDerWaalsContact C-N 3.32Å; H269-H271 PolarHBondContact O-N 2.94Å; H269-Q272 PolarHBondContact O-N 3.07Å; H269-Q273 WeakPolarHBondContact O-CB 3.24Å; H269-Q273 PolarHBondContact O-N 2.99Å
270I93.5Very high92.4Very high82 Ų82115.7 Ų115.742%0.42155%0.547SS..Hα-helixtrans-61-42.2176.1-69.3165.1000110.8Q266 Q267 Q273 L274Q266-I270 HydrophobicContact CG-CD1 4.23Å; Q266-I270 WeakPolarHBondContact O-CG1 3.48Å; Q266-I270 PolarHBondContact O-N 3.25Å; Q266-I270 VanDerWaalsContact O-N 3.1Å; Q267-I270 PolarHBondContact O-N 2.75Å; I270-Q273 PolarHBondContact O-N 3.11Å; I270-L274 PolarHBondContact O-N 2.98Å
271H92.8Very high92.3Very high132 Ų132115.9 Ų115.961%0.61155%0.548SS*.Hα-helixtrans-64.6-44179-163.490.1000112.2Q267 Q268 H269 L274 Q275Q267-H271 PolarHBondContact O-N 2.66Å; Q268-H271 PolarHBondContact O-N 3.41Å; H269-H271 VanDerWaalsContact C-N 3.32Å; H269-H271 PolarHBondContact O-N 2.94Å; H271-L274 PolarHBondContact O-N 3.28Å; H271-Q275 PolarHBondContact O-N 3.15Å
272Q92.9Very high92.2Very high123 Ų123115 Ų11558%0.57555%0.545SS*.Hα-helixtrans-64.6-39.5176.4-175.2169.486.500112.3Q268 H269 L274 Q275 L276Q268-Q272 PolarHBondContact O-N 3.27Å; H269-Q272 PolarHBondContact O-N 3.07Å; Q272-L274 PolarHBondContact O-N 2.64Å; Q272-Q275 PolarHBondContact O-N 2.88Å; Q272-L276 HydrophobicContact CG-CD1 4.45Å; Q272-L276 WeakPolarHBondContact O-CG 3.48Å; Q272-L276 PolarHBondContact O-N 3.35Å
273Q93.6Very high92.2Very high112 Ų112115 Ų11552%0.52355%0.545SS..Hα-helixtrans-62.7-40.9175.1-172.3177.114.200112.1H269 I270 L276 Q277H269-Q273 WeakPolarHBondContact O-CB 3.24Å; H269-Q273 PolarHBondContact O-N 2.99Å; I270-Q273 PolarHBondContact O-N 3.11Å; Q273-L276 PolarHBondContact O-N 2.84Å; Q273-Q277 PolarHBondContact O-N 2.97Å
274L93.3Very high92.2Very high105 Ų105118.1 Ų118.155%0.5556%0.56SS.*Hα-helixtrans-66.7-39177.4-168.167.4000111.9I270 H271 Q272 Q277 Q278I270-L274 PolarHBondContact O-N 2.98Å; H271-L274 PolarHBondContact O-N 3.28Å; Q272-L274 PolarHBondContact O-N 2.64Å; L274-Q277 PolarHBondContact O-N 2.92Å; L274-Q278 PolarHBondContact O-N 3.39Å
275Q93.1Very high92.2Very high120 Ų120116.1 Ų116.156%0.56155%0.55SS**Hα-helixtrans-63.3-43.4175.3-167.9178.836.100112H271 Q272 Q278 Q279H271-Q275 PolarHBondContact O-N 3.15Å; Q272-Q275 PolarHBondContact O-N 2.88Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-Q279 PolarHBondContact O-N 2.72Å
276L93.1Very high92.2Very high95 Ų95116.1 Ų116.150%0.49755%0.55SS..Hα-helixtrans-62.3-42.4174.4-73.5167000112Q272 Q273 Q279 Q280Q272-L276 HydrophobicContact CG-CD1 4.45Å; Q272-L276 WeakPolarHBondContact O-CG 3.48Å; Q272-L276 PolarHBondContact O-N 3.35Å; Q273-L276 PolarHBondContact O-N 2.84Å; L276-Q279 PolarHBondContact O-N 3.37Å; L276-Q280 WeakPolarHBondContact O-CG 3.39Å; L276-Q280 PolarHBondContact O-N 3.22Å
277Q92.6Very high92.2Very high127 Ų127115.7 Ų115.759%0.59355%0.55SS*.Hα-helixtrans-64-41.7177-175.6175.283.400112.1Q273 L274 Q279 Q280 H281Q273-Q277 PolarHBondContact O-N 2.97Å; L274-Q277 PolarHBondContact O-N 2.92Å; Q277-Q279 VanDerWaalsContact C-N 3.35Å; Q277-Q279 PolarHBondContact O-N 2.91Å; Q277-Q280 PolarHBondContact O-N 2.86Å; Q277-H281 PolarHBondContact O-N 3.42Å
278Q90.9Very high92.3Very high148 Ų148116.9 Ų116.969%0.69256%0.556SS**Hα-helixtrans-62.6-41.8175.5-168-173.199.200111.5L274 Q275 H281 M282L274-Q278 PolarHBondContact O-N 3.39Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q278-H281 PolarHBondContact O-N 2.99Å; Q278-M282 PolarHBondContact O-N 2.77Å
279Q91.9Very high92.3Very high138 Ų138116.3 Ų116.365%0.64555%0.553SS**Hα-helixtrans-63.9-41177.5-167.1176.310000112.2Q275 L276 Q277 H281 M282 Q283Q275-Q279 PolarHBondContact O-N 2.72Å; L276-Q279 PolarHBondContact O-N 3.37Å; Q277-Q279 VanDerWaalsContact C-N 3.35Å; Q277-Q279 PolarHBondContact O-N 2.91Å; Q279-H281 PolarHBondContact O-N 3.11Å; Q279-M282 PolarHBondContact O-N 3.22Å; Q279-Q283 PolarHBondContact O-N 2.72Å
280Q91.3Very high92.3Very high117 Ų117115.2 Ų115.255%0.54755%0.548SS..Hα-helixtrans-63.5-37.8173.5-71.6178.713.900112.6L276 Q277 Q283 Q284L276-Q280 WeakPolarHBondContact O-CG 3.39Å; L276-Q280 PolarHBondContact O-N 3.22Å; Q277-Q280 PolarHBondContact O-N 2.86Å; Q280-Q283 PolarHBondContact O-N 3.47Å; Q280-Q284 PolarHBondContact O-N 3.3Å
281H90.1Very high92.2Very high142 Ų142117.3 Ų117.366%0.65756%0.556SS**Hα-helixtrans-65.8-42.7175.8-169.2-81000111.7Q277 Q278 Q279 Q283 Q284 H285Q277-H281 PolarHBondContact O-N 3.42Å; Q278-H281 PolarHBondContact O-N 2.99Å; Q279-H281 PolarHBondContact O-N 3.11Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-Q283 PolarHBondContact O-N 3.31Å; H281-Q284 PolarHBondContact O-N 3.22Å; H281-H285 WeakPolarHBondContact O-CB 3.34Å; H281-H285 PolarHBondContact O-N 3.01Å
282M90.5Very high92.2Very high100 Ų100115.6 Ų115.649%0.49355%0.55SS.*Hα-helixtrans-58.9-44.3173.9-119.4-73.5-79.800111.9Q278 Q279 H285 Q286Q278-M282 PolarHBondContact O-N 2.77Å; Q279-M282 PolarHBondContact O-N 3.22Å; M282-H285 PolarHBondContact O-N 2.77Å; M282-Q286 PolarHBondContact O-N 3.16Å; M282-Q286 VanDerWaalsContact O-N 3.1Å
283Q92.7Very high92.1Very high126 Ų126115.6 Ų115.659%0.58955%0.55SS**Hα-helixtrans-65.5-42.9177.4-172.8174.362.400112.5Q279 Q280 H281 H285 Q286 I287Q279-Q283 PolarHBondContact O-N 2.72Å; Q280-Q283 PolarHBondContact O-N 3.47Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-Q283 PolarHBondContact O-N 3.31Å; Q283-H285 VanDerWaalsContact C-N 3.33Å; Q283-H285 PolarHBondContact O-N 3.09Å; Q283-Q286 PolarHBondContact O-N 3.4Å; Q283-I287 HydrophobicContact CG-CD1 4.07Å; Q283-I287 VanDerWaalsContact O-CG1 3.32Å; Q283-I287 WeakPolarHBondContact O-CG1 3.38Å; Q283-I287 PolarHBondContact O-N 3.44Å
284Q90.6Very high92Very high133 Ų133115.6 Ų115.662%0.62155%0.55SS**Hα-helixtrans-62.1-39.6174.5-78.7-17360.700112.3Q280 H281 I287 Q288Q280-Q284 PolarHBondContact O-N 3.3Å; H281-Q284 PolarHBondContact O-N 3.22Å; Q284-I287 PolarHBondContact O-N 2.77Å; Q284-Q288 WeakPolarHBondContact O-CB 3.33Å; Q284-Q288 PolarHBondContact O-N 2.88Å
285H93Very high91.9Very high83 Ų83116.4 Ų116.438%0.38455%0.551SS.*Hα-helixtrans-63.4-43.1177.2-177.6-104.2000112.3H281 M282 Q283 Q288 Q289H281-H285 WeakPolarHBondContact O-CB 3.34Å; H281-H285 PolarHBondContact O-N 3.01Å; M282-H285 PolarHBondContact O-N 2.77Å; Q283-H285 VanDerWaalsContact C-N 3.33Å; Q283-H285 PolarHBondContact O-N 3.09Å; H285-Q288 PolarHBondContact O-N 3.24Å; H285-Q289 PolarHBondContact CE1-NE2 3.47Å; H285-Q289 PolarHBondContact NE2-NE2 3.48Å; H285-Q289 PolarHBondContact O-N 3.13Å
286Q92.1Very high91.8Very high113 Ų113116.2 Ų116.253%0.52855%0.55SS.*Hα-helixtrans-62.1-44.1173.8-73.5-172.4-12.900112.4M282 Q283 Q288 Q289 H290M282-Q286 PolarHBondContact O-N 3.16Å; M282-Q286 VanDerWaalsContact O-N 3.1Å; Q283-Q286 PolarHBondContact O-N 3.4Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å; Q286-Q288 PolarHBondContact O-N 3.07Å; Q286-Q289 PolarHBondContact O-N 3.13Å; Q286-H290 PolarHBondContact O-N 2.65Å
287I93.6Very high91.6Very high91 Ų91117.7 Ų117.747%0.46756%0.556SS.*Hα-helixtrans-61-41.3176.5-67.8165.6000110.8Q283 Q284 H290 Q291Q283-I287 HydrophobicContact CG-CD1 4.07Å; Q283-I287 VanDerWaalsContact O-CG1 3.32Å; Q283-I287 WeakPolarHBondContact O-CG1 3.38Å; Q283-I287 PolarHBondContact O-N 3.44Å; Q284-I287 PolarHBondContact O-N 2.77Å; I287-H290 PolarHBondContact O-N 3.34Å; I287-Q291 WeakPolarHBondContact O-CG 3.3Å; I287-Q291 PolarHBondContact O-N 3.07Å
288Q92.5Very high91.5Very high116 Ų116117.4 Ų117.454%0.54256%0.555SS.*Hα-helixtrans-65.5-45.2178.1-178.5169.167.400112.2Q284 H285 Q286 H290 Q291 I292Q284-Q288 WeakPolarHBondContact O-CB 3.33Å; Q284-Q288 PolarHBondContact O-N 2.88Å; H285-Q288 PolarHBondContact O-N 3.24Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å; Q286-Q288 PolarHBondContact O-N 3.07Å; Q288-H290 VanDerWaalsContact C-N 3.32Å; Q288-H290 PolarHBondContact O-N 3.32Å; Q288-Q291 PolarHBondContact O-N 2.86Å; Q288-I292 HydrophobicContact CG-CD1 4.05Å; Q288-I292 WeakPolarHBondContact O-CG1 3.35Å; Q288-I292 PolarHBondContact O-N 2.77Å
289Q91.3Very high91.4Very high116 Ų116116 Ų11654%0.54255%0.548SS..Hα-helixtrans-62.1-39.5175.6-72.2-161-11.600112.1H285 Q286 Q291 I292 Q293H285-Q289 PolarHBondContact CE1-NE2 3.47Å; H285-Q289 PolarHBondContact NE2-NE2 3.48Å; H285-Q289 PolarHBondContact O-N 3.13Å; Q286-Q289 PolarHBondContact O-N 3.13Å; Q289-Q291 PolarHBondContact O-N 3.43Å; Q289-I292 PolarHBondContact O-N 3.47Å; Q289-Q293 PolarHBondContact O-N 3.24Å
290H92.3Very high91.4Very high100 Ų100114.4 Ų114.446%0.46354%0.543SS..Hα-helixtrans-65.5-37.8176.3-165.568.7000112.5Q286 I287 Q288 Q293 Q294Q286-H290 PolarHBondContact O-N 2.65Å; I287-H290 PolarHBondContact O-N 3.34Å; Q288-H290 VanDerWaalsContact C-N 3.32Å; Q288-H290 PolarHBondContact O-N 3.32Å; H290-Q293 PolarHBondContact O-N 2.89Å; H290-Q294 PolarHBondContact CD2-NE2 2.72Å; H290-Q294 VanDerWaalsContact CD2-NE2 3.26Å; H290-Q294 PolarHBondContact NE2-NE2 2.83Å; H290-Q294 WeakPolarHBondContact O-CG 3.39Å; H290-Q294 PolarHBondContact O-N 3.02Å
291Q92.3Very high91.3Very high126 Ų126115.6 Ų115.659%0.58955%0.548SS*.Hα-helixtrans-64.4-41.3172.4-74.6-177800112.7I287 Q288 Q289 Q293 Q294 Q295I287-Q291 WeakPolarHBondContact O-CG 3.3Å; I287-Q291 PolarHBondContact O-N 3.07Å; Q288-Q291 PolarHBondContact O-N 2.86Å; Q289-Q291 PolarHBondContact O-N 3.43Å; Q291-Q293 VanDerWaalsContact C-N 3.35Å; Q291-Q294 PolarHBondContact O-N 2.55Å; Q291-Q295 WeakPolarHBondContact O-CB 3.35Å; Q291-Q295 PolarHBondContact O-N 2.96Å
292I93.1Very high91.2Very high97 Ų97114.9 Ų114.950%0.49755%0.545SS..Hα-helixtrans-61.3-45.1176-68.9164.8000110.2Q288 Q289 Q294 Q295 Q296Q288-I292 HydrophobicContact CG-CD1 4.05Å; Q288-I292 WeakPolarHBondContact O-CG1 3.35Å; Q288-I292 PolarHBondContact O-N 2.77Å; Q289-I292 PolarHBondContact O-N 3.47Å; I292-Q294 PolarHBondContact O-N 2.83Å; I292-Q295 PolarHBondContact O-N 2.72Å; I292-Q296 WeakPolarHBondContact O-CB 3.31Å; I292-Q296 PolarHBondContact O-N 3.49Å
293Q91.1Very high91.1Very high122 Ų122116.6 Ų116.657%0.5755%0.552SS**Hα-helixtrans-63.3-41.8178.4-170.917461.400112.5Q289 H290 Q291 Q296 M297Q289-Q293 PolarHBondContact O-N 3.24Å; H290-Q293 PolarHBondContact O-N 2.89Å; Q291-Q293 VanDerWaalsContact C-N 3.35Å; Q293-Q296 PolarHBondContact O-N 3.18Å; Q293-M297 PolarHBondContact O-N 2.77Å
294Q90.4Very high90.9Very high112 Ų112117.7 Ų117.752%0.52355%0.552SS.*Hα-helixtrans-63.4-39.5173.3-72.1-173.515.500112.5H290 Q291 I292 M297 Q298H290-Q294 PolarHBondContact CD2-NE2 2.72Å; H290-Q294 VanDerWaalsContact CD2-NE2 3.26Å; H290-Q294 PolarHBondContact NE2-NE2 2.83Å; H290-Q294 WeakPolarHBondContact O-CG 3.39Å; H290-Q294 PolarHBondContact O-N 3.02Å; Q291-Q294 PolarHBondContact O-N 2.55Å; I292-Q294 PolarHBondContact O-N 2.83Å; Q294-M297 WeakPolarHBondContact O-CB 3.3Å; Q294-M297 PolarHBondContact O-N 3.05Å; Q294-Q298 PolarHBondContact O-N 3.03Å
295Q91.7Very high90.9Very high123 Ų123116.9 Ų116.958%0.57555%0.548SS*.Hα-helixtrans-68.1-37.5177.8-175.2165.895.300112.1Q291 I292 Q298 Q299Q291-Q295 WeakPolarHBondContact O-CB 3.35Å; Q291-Q295 PolarHBondContact O-N 2.96Å; I292-Q295 PolarHBondContact O-N 2.72Å; Q295-Q298 PolarHBondContact O-N 3.33Å; Q295-Q299 PolarHBondContact O-N 2.91Å
296Q91.1Very high90.6Very high116 Ų116119.8 Ų119.854%0.54256%0.562SS.*Hα-helixtrans-66.2-41.2174.7-163.4173.336.300111.6I292 Q293 Q298 Q299 I300I292-Q296 WeakPolarHBondContact O-CB 3.31Å; I292-Q296 PolarHBondContact O-N 3.49Å; Q293-Q296 PolarHBondContact O-N 3.18Å; Q296-Q298 VanDerWaalsContact C-N 3.33Å; Q296-Q298 PolarHBondContact O-N 3.37Å; Q296-Q299 PolarHBondContact O-N 3.45Å; Q296-I300 HydrophobicContact CG-CD1 4.48Å; Q296-I300 WeakPolarHBondContact O-CG1 3.29Å; Q296-I300 PolarHBondContact O-N 2.86Å
297M88.4Confident90.4Very high125 Ų125119.7 Ų119.762%0.61656%0.561SS**Hα-helixtrans-55.7-43.9169.5-98.8-82.6-75.500112.5Q293 Q294 Q301Q293-M297 PolarHBondContact O-N 2.77Å; Q294-M297 WeakPolarHBondContact O-CB 3.3Å; Q294-M297 PolarHBondContact O-N 3.05Å; M297-Q301 WeakPolarHBondContact O-CB 3.32Å; M297-Q301 PolarHBondContact O-N 2.88Å
298Q89.6Confident90Very high121 Ų121120.2 Ų120.257%0.56556%0.562SS**Hα-helixtrans-66.4-37.2175.9-75.7-172.8-8.900113Q294 Q295 Q296 Q301 Q302Q294-Q298 PolarHBondContact O-N 3.03Å; Q295-Q298 PolarHBondContact O-N 3.33Å; Q296-Q298 VanDerWaalsContact C-N 3.33Å; Q296-Q298 PolarHBondContact O-N 3.37Å; Q298-Q301 PolarHBondContact O-N 3.11Å; Q298-Q302 WeakPolarHBondContact O-CB 3.4Å; Q298-Q302 VanDerWaalsContact O-CG 3.31Å; Q298-Q302 WeakPolarHBondContact O-CG 3.44Å; Q298-Q302 PolarHBondContact O-N 3.08Å
299Q90.2Very high89.7Confident118 Ų118117.8 Ų117.855%0.55156%0.555SS**Hα-helixtrans-64.9-45.1175.8-74.5179.5-6.800111.9Q295 Q296 Q301 Q302 Q303Q295-Q299 PolarHBondContact O-N 2.91Å; Q296-Q299 PolarHBondContact O-N 3.45Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å; Q299-Q301 PolarHBondContact O-N 3.43Å; Q299-Q302 PolarHBondContact O-N 2.74Å; Q299-Q303 WeakPolarHBondContact O-CB 3.17Å; Q299-Q303 PolarHBondContact O-N 2.76Å
300I92.3Very high89.3Confident105 Ų105118.5 Ų118.554%0.53856%0.558SS.*Hα-helixtrans-59.9-43.8176.1-68.1166.8000110.6Q296 Q302 Q303 Y304Q296-I300 HydrophobicContact CG-CD1 4.48Å; Q296-I300 WeakPolarHBondContact O-CG1 3.29Å; Q296-I300 PolarHBondContact O-N 2.86Å; I300-Q302 PolarHBondContact O-N 3.36Å; I300-Q303 PolarHBondContact O-N 3.42Å; I300-Y304 PolarHBondContact O-N 3.2Å
301Q88.9Confident88.7Confident142 Ų142119.9 Ų119.966%0.66457%0.565SS**Hα-helixtrans-65.2-38.4177.6-169.1175.798.500112.7M297 Q298 Q299 H305M297-Q301 WeakPolarHBondContact O-CB 3.32Å; M297-Q301 PolarHBondContact O-N 2.88Å; Q298-Q301 PolarHBondContact O-N 3.11Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å; Q299-Q301 PolarHBondContact O-N 3.43Å; Q301-H305 PolarHBondContact O-N 3.26Å
302Q88.3Confident88.3Confident127 Ų127120.6 Ų120.659%0.59357%0.568SS**Hα-helixtrans-66.6-39.6173.9-74.7172.94100112.3Q298 Q299 I300 H305 Q306Q298-Q302 WeakPolarHBondContact O-CB 3.4Å; Q298-Q302 VanDerWaalsContact O-CG 3.31Å; Q298-Q302 WeakPolarHBondContact O-CG 3.44Å; Q298-Q302 PolarHBondContact O-N 3.08Å; Q299-Q302 PolarHBondContact O-N 2.74Å; I300-Q302 PolarHBondContact O-N 3.36Å; Q302-H305 PolarHBondContact O-N 3.38Å; Q302-Q306 WeakPolarHBondContact O-CB 3.38Å; Q302-Q306 PolarHBondContact O-N 3.04Å
303Q88Confident87.8Confident136 Ų136122.2 Ų122.264%0.63657%0.574SS**Hα-helixtrans-64.8-43.2176.5-174.4175-8.800111.4Q299 I300 H305 Q306 Q307Q299-Q303 WeakPolarHBondContact O-CB 3.17Å; Q299-Q303 PolarHBondContact O-N 2.76Å; I300-Q303 PolarHBondContact O-N 3.42Å; Q303-H305 PolarHBondContact O-N 3.4Å; Q303-Q306 PolarHBondContact O-N 3.05Å; Q303-Q307 WeakPolarHBondContact O-CB 3.49Å; Q303-Q307 PolarHBondContact O-N 2.82Å
304Y89Confident87.4Confident149 Ų149121.4 Ų121.458%0.58457%0.573SS**Hα-helixtrans-62.4-41.1175.5-162.8-86.7000112.2I300 Q307 Q308I300-Y304 PolarHBondContact O-N 3.2Å; Y304-Q307 PolarHBondContact O-N 2.85Å; Y304-Q308 HydrophobicContact CD1-CG 4.49Å; Y304-Q308 HydrophobicContact CE1-CG 4.3Å; Y304-Q308 PolarHBondContact O-N 3.38Å; Y304-Q308 VanDerWaalsContact O-N 3.08Å
305H89.2Confident86.9Confident117 Ų117122 Ų12254%0.54258%0.575SS.*Hα-helixtrans-65.4-41.4174.6-177.655.3000112.4Q301 Q302 Q303 Q307 Q308 V309Q301-H305 PolarHBondContact O-N 3.26Å; Q302-H305 PolarHBondContact O-N 3.38Å; Q303-H305 PolarHBondContact O-N 3.4Å; H305-Q307 VanDerWaalsContact C-N 3.3Å; H305-Q307 PolarHBondContact O-N 3.44Å; H305-Q308 PolarHBondContact O-N 3.46Å; H305-V309 WeakPolarHBondContact O-CG2 3.3Å; H305-V309 PolarHBondContact O-N 2.82Å
306Q86.3Confident86.3Confident143 Ų143122.4 Ų122.467%0.66858%0.577SS**Hα-helixtrans-62.4-38175.5-170.2175.211400111.7Q302 Q303 V309 Q310Q302-Q306 WeakPolarHBondContact O-CB 3.38Å; Q302-Q306 PolarHBondContact O-N 3.04Å; Q303-Q306 PolarHBondContact O-N 3.05Å; Q306-V309 PolarHBondContact O-N 3.42Å; Q306-Q310 WeakPolarHBondContact O-CB 3.27Å; Q306-Q310 PolarHBondContact O-N 2.99Å
307Q87.9Confident85.7Confident111 Ų111120.9 Ų120.952%0.51957%0.571SS.*Hα-helixtrans-64.3-45.2175.7-168.3163.838.300111.9Q303 Y304 H305 V309 Q310 E311Q303-Q307 WeakPolarHBondContact O-CB 3.49Å; Q303-Q307 PolarHBondContact O-N 2.82Å; Y304-Q307 PolarHBondContact O-N 2.85Å; H305-Q307 VanDerWaalsContact C-N 3.3Å; H305-Q307 PolarHBondContact O-N 3.44Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 3.37Å; Q307-Q310 WeakPolarHBondContact O-CB 3.42Å; Q307-Q310 PolarHBondContact O-N 2.91Å; Q307-Q310 VanDerWaalsContact O-N 3.12Å; Q307-E311 PolarHBondContact O-N 3.44Å
308Q86.5Confident85Confident103 Ų103120.7 Ų120.748%0.48157%0.569SS.*Hα-helixtrans-60.1-40.8173.4-76.5-167.3-31.500113.1Y304 H305 Q310 E311 Q312Y304-Q308 HydrophobicContact CD1-CG 4.49Å; Y304-Q308 HydrophobicContact CE1-CG 4.3Å; Y304-Q308 PolarHBondContact O-N 3.38Å; Y304-Q308 VanDerWaalsContact O-N 3.08Å; H305-Q308 PolarHBondContact O-N 3.46Å; Q308-Q310 VanDerWaalsContact C-N 3.29Å; Q308-Q310 PolarHBondContact O-N 3.31Å; Q308-E311 PolarHBondContact O-N 3.13Å; Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.02Å
309V85.3Confident84.2Confident65 Ų65120.8 Ų120.839%0.39457%0.569SS.*Hα-helixtrans-64-37.7175.5171.80000110.8H305 Q306 Q307 Q313H305-V309 WeakPolarHBondContact O-CG2 3.3Å; H305-V309 PolarHBondContact O-N 2.82Å; Q306-V309 PolarHBondContact O-N 3.42Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 3.37Å; V309-Q313 VanDerWaalsContact O-CB 3.28Å; V309-Q313 WeakPolarHBondContact O-CB 3.47Å; V309-Q313 PolarHBondContact O-N 3.23Å
310Q82.9Confident83.1Confident131 Ų131121.4 Ų121.461%0.61257%0.572SS**Hα-helixtrans-69.5-41.7177.6-165.3170.529.900112.4Q306 Q307 Q308 Q313 L314Q306-Q310 WeakPolarHBondContact O-CB 3.27Å; Q306-Q310 PolarHBondContact O-N 2.99Å; Q307-Q310 WeakPolarHBondContact O-CB 3.42Å; Q307-Q310 PolarHBondContact O-N 2.91Å; Q307-Q310 VanDerWaalsContact O-N 3.12Å; Q308-Q310 VanDerWaalsContact C-N 3.29Å; Q308-Q310 PolarHBondContact O-N 3.31Å; Q310-Q313 PolarHBondContact O-N 3.11Å; Q310-L314 WeakPolarHBondContact O-CB 3.44Å; Q310-L314 PolarHBondContact O-N 3.5Å
311E80.8Confident81.8Confident129 Ų129121.3 Ų121.360%0.60357%0.572SS**Hα-helixtrans-61.7-45.8172.1-73.1-174.8106.300111.9Q307 Q308 Q313 L314 Q315Q307-E311 PolarHBondContact O-N 3.44Å; Q308-E311 PolarHBondContact O-N 3.13Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 3.4Å; E311-L314 PolarHBondContact O-N 3.24Å; E311-Q315 WeakPolarHBondContact O-CB 3.45Å; E311-Q315 PolarHBondContact O-N 3.43Å
312Q83.8Confident80.4Confident140 Ų140121.8 Ų121.865%0.65457%0.574SS**Hα-helixtrans-61.7-39.3177.8-176.81728500111.8Q308 Q316Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.02Å; Q312-Q316 WeakPolarHBondContact O-CB 3.48Å; Q312-Q316 PolarHBondContact O-N 3.18Å
313Q82.9Confident79Confident132 Ų132123.2 Ų123.262%0.61758%0.58SS**Hα-helixtrans-69.8-38175.7-170.2169.798.700112.2V309 Q310 E311 Q316 M317V309-Q313 VanDerWaalsContact O-CB 3.28Å; V309-Q313 WeakPolarHBondContact O-CB 3.47Å; V309-Q313 PolarHBondContact O-N 3.23Å; Q310-Q313 PolarHBondContact O-N 3.11Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 3.4Å; Q313-Q316 PolarHBondContact O-N 3.13Å; Q313-M317 WeakPolarHBondContact O-CB 3.21Å; Q313-M317 PolarHBondContact O-N 3.38Å
314L81.3Confident77.4Confident105 Ų105124.8 Ų124.855%0.5559%0.588SS.*Hα-helixtrans-64.2-42.2174.2-162.381.9000111.4Q310 E311 M317 Q318Q310-L314 WeakPolarHBondContact O-CB 3.44Å; Q310-L314 PolarHBondContact O-N 3.5Å; E311-L314 PolarHBondContact O-N 3.24Å; L314-M317 HydrophobicContact CD1-CE 3.61Å; L314-M317 HydrophobicContact CG-CE 4.27Å; L314-M317 PolarHBondContact O-N 2.86Å; L314-Q318 WeakPolarHBondContact O-CB 3Å; L314-Q318 PolarHBondContact O-N 3.42Å
315Q81.1Confident75.5Confident124 Ų124124.2 Ų124.258%0.57960%0.595SS**Hα-helixtrans-70.2-34.4178-172.615680.100112.4E311 Q318 Q319E311-Q315 WeakPolarHBondContact O-CB 3.45Å; E311-Q315 PolarHBondContact O-N 3.43Å; Q315-Q318 PolarHBondContact O-N 3.04Å; Q315-Q319 PolarHBondContact O-N 2.94Å
316Q79.4Confident73.4Confident131 Ų131124.6 Ų124.661%0.61261%0.605SS**Hα-helixtrans-65.5-42.1171.3-173.617092.800111.8Q312 Q313 Q318 Q319 Q320Q312-Q316 WeakPolarHBondContact O-CB 3.48Å; Q312-Q316 PolarHBondContact O-N 3.18Å; Q313-Q316 PolarHBondContact O-N 3.13Å; Q316-Q318 VanDerWaalsContact C-N 3.35Å; Q316-Q319 PolarHBondContact O-N 3.49Å; Q316-Q320 PolarHBondContact O-N 2.77Å
317M77.1Confident71.5Confident84 Ų84122.7 Ų122.741%0.41461%0.605SS.*Hα-helixtrans-63.5-38.9173.1177.6-91.8-70.900112Q313 L314 Q320 I321Q313-M317 WeakPolarHBondContact O-CB 3.21Å; Q313-M317 PolarHBondContact O-N 3.38Å; L314-M317 HydrophobicContact CD1-CE 3.61Å; L314-M317 HydrophobicContact CG-CE 4.27Å; L314-M317 PolarHBondContact O-N 2.86Å; M317-Q320 WeakPolarHBondContact O-CB 3.19Å; M317-Q320 PolarHBondContact O-N 3.24Å; M317-Q320 VanDerWaalsContact O-N 3.1Å; M317-I321 PolarHBondContact O-N 3.43Å; M317-I321 HydrophobicContact SD-CD1 3.48Å; M317-I321 WeakPolarHBondContact SD-CD1 3.16Å; M317-I321 HydrophobicContact SD-CG1 4.27Å
318Q74.8Confident68.9Low121 Ų121125.9 Ų125.957%0.56562%0.62SS**Hα-helixtrans-64-41.9174.5-16917592.800112.2L314 Q315 Q316 Q320 I321 Q322L314-Q318 WeakPolarHBondContact O-CB 3Å; L314-Q318 PolarHBondContact O-N 3.42Å; Q315-Q318 PolarHBondContact O-N 3.04Å; Q316-Q318 VanDerWaalsContact C-N 3.35Å; Q318-Q320 PolarHBondContact O-N 3.06Å; Q318-I321 PolarHBondContact O-N 3.01Å; Q318-Q322 WeakPolarHBondContact O-CB 3.42Å; Q318-Q322 PolarHBondContact O-N 3.44Å
319Q72Confident66.7Low124 Ų124126 Ų12658%0.57963%0.63SS**Hα-helixtrans-62-29.6171.3-74.6-176.87.900113Q315 Q316 Q323Q315-Q319 PolarHBondContact O-N 2.94Å; Q316-Q319 PolarHBondContact O-N 3.49Å; Q319-Q323 PolarHBondContact O-N 3.46Å; Q319-Q323 PolarHBondContact O-NE2 3.26Å
320Q66.4Low64.2Low131 Ų131132.4 Ų132.461%0.61266%0.656SS**Hα-helixtrans-75.3-42.7178.1-155.8168.616.200111.5Q316 M317 Q318 Q322 Q323 Q324Q316-Q320 PolarHBondContact O-N 2.77Å; M317-Q320 WeakPolarHBondContact O-CB 3.19Å; M317-Q320 PolarHBondContact O-N 3.24Å; M317-Q320 VanDerWaalsContact O-N 3.1Å; Q318-Q320 PolarHBondContact O-N 3.06Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.93Å; Q320-Q323 PolarHBondContact O-N 2.94Å; Q320-Q324 PolarHBondContact O-N 2.93Å
321I66.3Low61.7Low103 Ų103132.5 Ų132.553%0.52867%0.665SS.*Hα-helixtrans-61.9-41.7172-68.5177.4000111M317 Q318 Q323 Q324M317-I321 PolarHBondContact O-N 3.43Å; M317-I321 HydrophobicContact SD-CD1 3.48Å; M317-I321 WeakPolarHBondContact SD-CD1 3.16Å; M317-I321 HydrophobicContact SD-CG1 4.27Å; Q318-I321 PolarHBondContact O-N 3.01Å; I321-Q323 PolarHBondContact O-N 3.19Å; I321-Q324 PolarHBondContact O-N 3.02Å
322Q59Low59.4Low152 Ų152133.1 Ų133.171%0.7168%0.678SS**Hα-helixtrans-59.2-29179.2-162.476.687.700113Q318 Q320Q318-Q322 WeakPolarHBondContact O-CB 3.42Å; Q318-Q322 PolarHBondContact O-N 3.44Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.93Å
323Q58.8Low56.8Low156 Ų156134.7 Ų134.773%0.72969%0.685SS**Hα-helixtrans-86.7-17.4177.8-74.3170.89000113.9Q319 Q320 I321Q319-Q323 PolarHBondContact O-N 3.46Å; Q319-Q323 PolarHBondContact O-NE2 3.26Å; Q320-Q323 PolarHBondContact O-N 2.94Å; I321-Q323 PolarHBondContact O-N 3.19Å
324Q53.9Low55.1Low170 Ų170132.5 Ų132.579%0.79468%0.683SS**Hα-helixtrans-93.6-3.3-173.5-157169.418.400113.8Q320 I321Q320-Q324 PolarHBondContact O-N 2.93Å; I321-Q324 PolarHBondContact O-N 3.02Å
325N49.9Very low52.6Low136 Ų136135.9 Ų135.973%0.72770%0.695SS**  trans-120.182.1-176.3-154.85000112.4
326V44.1Very low50.3Low125 Ų125136.2 Ų136.276%0.75871%0.706SS**  trans-134.2115.3171.1174.90000107.8
327P46.9Very low47.8Very low103 Ų103138.1 Ų138.167%0.66972%0.715SS**  -145.3132.7119.334.6-19.2000115.4
328Q32.9Very low46.7Very low178 Ų178139 Ų13983%0.83273%0.726SS**  trans64.1150.1151.4-62.4-68.6-5.300119.6
329P40.8Very low44.5Very low106 Ų106140.1 Ų140.169%0.68874%0.736SS**  trans-105.7142.3-17638.2-29.9000113.8
330E32.4Very low42.5Very low200 Ų200140.2 Ų140.294%0.93574%0.74SS**  trans-132.6156.1150.6-76.9-155113.800110.9
331T30.8Very low40.9Very low133 Ų133141.4 Ų141.482%0.81675%0.746SS**  trans-90.3144.4-167.448.60000113.6
332T31.8Very low39.2Very low142 Ų142144.1 Ų144.187%0.87176%0.756SS**  -173.1157.1118.6-73.50000111.2
333Q31.1Very low37.9Very low173 Ų173145.2 Ų145.281%0.80876%0.761SS**  trans-96.9-177.7-174.1-100.6-172.215.100112.9
334P46.9Very low36.4Very low86 Ų86142.5 Ų142.556%0.55876%0.755SS**  cis-139.7-177.1-26.334.4-14.8000115.2
335Q28.4Very low35.5Very low175 Ų175142.3 Ų142.382%0.81876%0.755SS**  trans70.5155.6144.6-98.2172.4-34.600119.4
336V32.5Very low34.6Very low131 Ų131140.4 Ų140.479%0.79475%0.752SS**  cis-133.11697.8-161.10000111.4
337Q28Very low33.9Very low172 Ų172144.6 Ų144.680%0.80476%0.76SS**  trans-116.2-172.4179.2-101.6-168.210.400110.9
338P52.1Low33Very low101 Ų101142.6 Ų142.666%0.65676%0.759SS**  cis-141.8177.8-4440.9-23.8000115.5
339N29.4Very low32.9Very low145 Ų145138.7 Ų138.778%0.77576%0.757SS**  trans77.5158.9138.4-120.2-13.8000125.5
340L29.9Very low32.3Very low126 Ų126144 Ų14466%0.6677%0.765SS**  trans65.596.7156.6-10169.5000122.8
341Q32.3Very low32.8Very low157 Ų157139.8 Ų139.873%0.73475%0.754SS**  61.8147.2100.7-161.7166.718.400123
342Q31.4Very low33.6Very low160 Ų160139 Ų13975%0.74875%0.752SS**  trans83.698.9164-90168.4126.400120.9
343Q31.7Very low34.1Very low175 Ų175137.1 Ų137.182%0.81874%0.742SS**  11.9134.6111.5-170.6-175.429.700118.7
344T27.8Very low33.8Very low98 Ų98136.1 Ų136.160%0.60174%0.742SS**  157.4127.3126.6-700000114
345Q33.4Very low33.5Very low167 Ų167137.7 Ų137.778%0.7875%0.752SS**  trans44.7132.4155-62.2163.525.500120.4
346S31.3Very low33.4Very low96 Ų96137.5 Ų137.567%0.67176%0.756SS**  cis88.2109.230.482.40000116.8
347F30.3Very low34.1Very low213 Ų213136.4 Ų136.493%0.93475%0.752SS**  trans-168.5137.9145.2-107.3-75.6000108.5
348G27.6Very low35.2Very low61 Ų61133.5 Ų133.563%0.62975%0.748SS**  cis177.6-177-9.600000112
349A31.3Very low33.9Very low96 Ų96136 Ų13679%0.79376%0.755SS**  trans47.2135157.900000120.6
350Y28.4Very low33.7Very low218 Ų218134.6 Ų134.686%0.85576%0.757SS**  cis-178.8164.5-4.4-120.6-92.4000104.3
351P41.5Very low33.6Very low111 Ų111132 Ų13272%0.72176%0.761SS**  cis-117.7-175.4-28.811.115.6000113.9
352P47.8Very low33.3Very low117 Ų117132 Ų13276%0.7677%0.772SS**  trans-98.4-166.3178.544-38.1000112.5
353P42.3Very low33Very low101 Ų101129.6 Ų129.666%0.65677%0.773SS**  cis-146.3-170.518.146.7-25.1000120.2
354D25Very low32.9Very low152 Ų152129.4 Ų129.481%0.81377%0.769SS**  trans72123.1160-58.3-25.1000121.4
355P42.1Very low32.7Very low120 Ų120131.8 Ų131.878%0.77977%0.774SS**  trans-123.1128.1174.838.1-24.9000115.7
356L25.9Very low32.3Very low170 Ų170130.6 Ų130.689%0.8977%0.773SS**  trans179151.1153.9-98.7175.7000107.8
357P45.9Very low32Very low109 Ų109131.5 Ų131.571%0.70877%0.774SS**  cis-116.9-122.4-38.534.6-16000109.1
358P51Low31.7Very low111 Ų111128.4 Ų128.472%0.72176%0.763SS**  -111.9-175-75.135.3-19.6000114.6
359D25.9Very low32.2Very low152 Ų152131 Ų13181%0.81377%0.768SS**  trans93158.3139.3-149.315.4000121.5
360S25.3Very low32.1Very low116 Ų116132.9 Ų132.981%0.81176%0.763SS**  trans70.8150.318075.50000117.4
361G27.3Very low32Very low73 Ų73128.3 Ų128.375%0.75375%0.749SS**  trans-134.2179-173.300000114.1
362T26.6Very low31.2Very low155 Ų155129.1 Ų129.195%0.95175%0.752SS**  trans-135.2170.2-175.548.10000112.7
363S24.5Very low30Very low111 Ų111130.5 Ų130.578%0.77675%0.748SS**  trans-135.8-177.5-163.5-177.80000111.9
364K28.7Very low30Very low171 Ų171130.4 Ų130.474%0.74375%0.747SS**  trans85.3150.1-178.4-61.7149.2150.3-790114.8
365E25.3Very low30Very low148 Ų148131.4 Ų131.469%0.69275%0.747SS**  cis-1481513.5-129.7146.663.900107.7
366D24.1Very low29.3Very low141 Ų141129.6 Ų129.675%0.75474%0.742SS**  cis-139.9-147.84.7-162.333.8000108.2
367T24.8Very low29.2Very low115 Ų115129.9 Ų129.971%0.70674%0.739SS**  cis-159-169.74.8-157.80000112.5
368Q24Very low28.1Very low148 Ų148131.5 Ų131.569%0.69275%0.747SS**  trans-135.1-178.3-173.5-100.3-167.4-11.600112.5
369P38.9Very low26.7Very low115 Ų115129.5 Ų129.575%0.74775%0.746SS**  cis-111150.7411.114.5000113.8
370M27.9Very low26.5Very low137 Ų137130.8 Ų130.868%0.67575%0.753SS**  67.2132.864.9-170.4177.7167.700111.6
371E26.7Very low26.3Very low122 Ų122128.3 Ų128.357%0.5775%0.747SS**  cis-124.5-126.924.8-155.7-168.7-110.600114.4H373E371-H373 IonicContact OE2-CD2 2.77Å; E371-H373 PolarHBondContact OE2-CD2 3.46Å
372T24.6Very low26Very low127 Ų127130.6 Ų130.678%0.77975%0.751SS**  cis-151.8162.614.4-54.80000113.5
373H24.2Very low25.8Very low147 Ų147127.7 Ų127.768%0.68174%0.742SS**  trans-81.7175.3-175.8-93.7-85.3000118.6E371E371-H373 IonicContact OE2-CD2 2.77Å; E371-H373 PolarHBondContact OE2-CD2 3.46Å
374P42.2Very low26Very low98 Ų98130.4 Ų130.464%0.63675%0.747SS**  cis-132.3-150.8-14.842.2-22.2000111.6
375E24.8Very low26Very low173 Ų173128 Ų12881%0.80875%0.749SS**  cis-161.3-178.6-10.6-137.8160.7104.700112.6
376A26.5Very low25.8Very low82 Ų82127.9 Ų127.968%0.67875%0.754SS**  trans36.5139.4154.300000122.8
377Q24.3Very low26.5Very low176 Ų176125.9 Ų125.982%0.82275%0.748SS**  cis87.9127.434-72.7-162.343.700118
378T22.4Very low26.3Very low143 Ų143125.3 Ų125.388%0.87775%0.749SS**  trans61.8153.2163.956.70000118.5
379G21.6Very low26.4Very low69 Ų69123.8 Ų123.871%0.71176%0.755SS**  cis171-177.4-5.300000113.1
380D21Very low25.8Very low179 Ų179124.9 Ų124.996%0.95775%0.75SS**  trans76.8164.3169.7-132-30000120
381G22.6Very low25.7Very low65 Ų65125.6 Ų125.667%0.6775%0.749SS**  trans-101.1-145.9-169.600000115.7
382S21.1Very low25.7Very low121 Ų121125.4 Ų125.485%0.84676%0.756SS**  cis-165.1179.54.3-166.60000111.5
383A21.8Very low25.8Very low93 Ų93123.3 Ų123.377%0.76975%0.752SS**  trans77.8132.5158.900000122
384L29.3Very low26Very low168 Ų168120.9 Ų120.988%0.8876%0.757SS**  trans-69.2158.4154.3-75.8161.6000110.1
385P28.7Very low25.2Very low121 Ų121122.6 Ų122.679%0.78677%0.766SS**  -153.2169.886.144-26000117.6
386D21.6Very low25.2Very low146 Ų146119.6 Ų119.678%0.78176%0.764SS**  trans-74.4179.4154.8-131.6-13.4000109.7
387P37.8Very low26.2Very low98 Ų98121.2 Ų121.264%0.63677%0.768SS**  cis-139.3-173.3-12.941.6-23.6000115.5
388S21.4Very low26.7Very low104 Ų104120.2 Ų120.273%0.72777%0.767SS**  trans84.8139.9141.7760000123.7
389S25.7Very low27Very low116 Ų116120.1 Ų120.181%0.81176%0.761SS**  trans32.4148146-58.40000123.1
390E25.3Very low27.4Very low137 Ų137121.1 Ų121.164%0.6476%0.763SS**  cis-139-13817.1-144.5-160.6109.800111.9
391K25.8Very low27.6Very low153 Ų153116.3 Ų116.367%0.66576%0.755SS**  cis-158.4144.98.2-159.5124.8-166.770.10112.8
392V27.1Very low28Very low117 Ų117120.8 Ų120.871%0.70976%0.764SS**  trans21.2140.7146174.10000120.7
393A26.3Very low29.1Very low84 Ų84120.7 Ų120.769%0.69476%0.76SS**  cis-147.9147.810.200000111.7
394A28.6Very low29.5Very low96 Ų96120.2 Ų120.279%0.79376%0.757SS**  71.7142.990.900000115.9
395T26.2Very low30.1Very low134 Ų134117.9 Ų117.982%0.82275%0.752SS**  cis-140.2155.717.850.20000114.5
396S25.1Very low30Very low109 Ų109117 Ų11776%0.76275%0.754SS**  trans-79.9-170.8168.6-32.60000112.1
397P45.7Very low30.4Very low117 Ų117114.4 Ų114.476%0.7675%0.753SS**  cis-105.9-172.422.95.520.4000113.1
398L34.8Very low30.6Very low154 Ų154113.6 Ų113.681%0.80675%0.748SS**  cis-164.2-165.7-29.1-102.3169.2000105.6
399D29.6Very low30.9Very low141 Ų141116 Ų11675%0.75474%0.741SS**  cis-154.7-157.111.1-145.7-66.9000111
400A30.1Very low30.9Very low91 Ų91116.7 Ų116.775%0.75273%0.726SS**  trans-103.8166.4-173.300000115.6
401G25.9Very low31Very low77 Ų77111.8 Ų111.879%0.79471%0.707SS**  cis177.8159-4.200000115.1
402D29.3Very low31.2Very low160 Ų160112.3 Ų112.386%0.85671%0.705SS**  trans-87.5-170.5-180-115.8-40.4000112.1
403P44.2Very low31.5Very low118 Ų118115.6 Ų115.677%0.76670%0.704SS**  cis-140.4-17514.640.9-19.3000118.2
404A30.5Very low31.5Very low84 Ų84118.3 Ų118.369%0.69471%0.707SS**  trans-79.5-163.6164.100000112
405P41.9Very low31.5Very low119 Ų119118.2 Ų118.277%0.77370%0.7SS**  cis-150.3-171.314.246.3-24.7000119.2
406A26.7Very low31.8Very low102 Ų102122.5 Ų122.584%0.84370%0.701SS**  trans77.5160.4144.600000123.1
407A29.5Very low31.9Very low92 Ų92126.2 Ų126.276%0.7671%0.706SS**  trans-99.7-164-173.300000111.7
408P43.1Very low31.2Very low81 Ų81123.4 Ų123.453%0.52670%0.699SS.*  cis-138.2-170.32.237.5-15.4000115.9
409R27.4Very low30.8Very low155 Ų155125.7 Ų125.759%0.58571%0.706SS**  trans163.6178.9131.8-84.3165.9-158.4972.6117.1R901 L902R409-R901 CarbonylContact C-O 3.4Å; R409-R901 VanDerWaalsContact CB-O 3.27Å; R409-R901 WeakPolarHBondContact CB-O 3.34Å; R409-R901 VanDerWaalsContact CG-C 3.48Å; R409-R901 WeakPolarHBondContact CG-O 3.49Å; R409-L902 VanDerWaalsContact CB-C 3.4Å; R409-L902 WeakPolarHBondContact CD-O 3.44Å
410R26.7Very low31Very low129 Ų129124.2 Ų124.249%0.48771%0.706SS.*  trans-160.2141.5-167171.5-88.8-66.7150.1-9.6117.5R901 L902 E903R410-R901 CarbonylContact C-O 3.18Å; R410-R901 PolarHBondContact N-O 3.4Å; R410-R901 CarbonylContact O-C 3.57Å; R410-R901 VanDerWaalsContact O-C 3.3Å; R410-L902 VanDerWaalsContact C-CA 3.49Å; R410-L902 WeakPolarHBondContact O-CA 3.39Å; R410-L902 WeakPolarHBondContact O-CB 3.48Å; R410-L902 PolarHBondContact O-N 2.95Å; R410-E903 WeakPolarHBondContact CA-OE1 3.43Å
411S26.8Very low31.4Very low35 Ų35125 Ų12525%0.24570%0.704CS.*  trans85.6122.1167.681.90000124.4L902 E903S411-L902 WeakPolarHBondContact O-CB 3.43Å; S411-L902 WeakPolarHBondContact O-CD2 3.38Å; S411-E903 WeakPolarHBondContact CA-OE2 3.43Å; S411-E903 PolarHBondContact N-OE1 3.03Å; S411-E903 PolarHBondContact N-OE2 2.95Å
412R30.6Very low31.4Very low163 Ų163129.6 Ų129.662%0.61571%0.709SS**  143.1135.686.6-131.3-177.8-176.3178.72.6116E903R412-E903 PolarHBondContact N-OE2 3Å
413R32.4Very low31.2Very low186 Ų186125.3 Ų125.370%0.70270%0.702SS**  trans78.3147.3158.4-59.6-167-170.5-77.86.8117.4
414L27Very low31.6Very low142 Ų142125.6 Ų125.674%0.74370%0.704SS**  cis-156.7-173.74.6-120.7166.4000112.6
415S27.7Very low32.7Very low94 Ų94127 Ų12766%0.65771%0.706SS**  trans-14136.6173.2-61.60000119.9
416R33.7Very low33.2Very low223 Ų223127.5 Ų127.584%0.84271%0.71SS**  85.162.851.2-167-123.9-175.7-178.61.7116
417E26.8Very low33.3Very low187 Ų187125.9 Ų125.987%0.87470%0.703SS**  trans-153.8159.9152.1-89.8109.9-145.900109.2
418G30.7Very low33.3Very low59 Ų59129 Ų12961%0.60871%0.707SS**  cis143.144.6-9.300000117.8
419Q26.7Very low32.4Very low202 Ų202132.3 Ų132.394%0.94472%0.717SS**  trans-170.6163.1160.7-110.9146.3111.200115.6
420S33.5Very low32.3Very low110 Ų110135.8 Ų135.877%0.76973%0.73SS**  trans-131.8146.6168.4167.70000109
421P39.1Very low32.3Very low108 Ų108134.3 Ų134.370%0.70174%0.74SS**  trans-139133.8157.933.7-16.4000116.1
422L25.6Very low32.5Very low173 Ų173142 Ų14291%0.90677%0.772SS**  trans64.1124.7139.3-56.1169000121.2
423G24.9Very low32.5Very low69 Ų69139.1 Ų139.171%0.71178%0.783SS**  trans-97.2-141.6151.700000110.5
424P52.9Low32.3Very low124 Ų124135.4 Ų135.481%0.80579%0.785SS**  cis-124.4-139.2-10.543.7-25.7000109.2
425P53.2Low32.2Very low113 Ų113138.3 Ų138.373%0.73479%0.792SS**  cis-118.4-164.7-28.941.7-25.9000111.6
426P51.5Low32.3Very low130 Ų130140.9 Ų140.984%0.84479%0.794SS**  cis-122-160.4-6.544.2-28.2000112
427G29.6Very low33.1Very low68 Ų68135.9 Ų135.970%0.70179%0.79SS**  cis146.2154.9-17.700000116.1
428N30.3Very low33.5Very low158 Ų158134 Ų13485%0.84579%0.785SS**  trans75123.8165.4-8121.6000124.5
429M22.8Very low35Very low151 Ų151137 Ų13774%0.74479%0.794SS**  trans97.9103.5139.2-71.8172.270.900124.3
430W25.3Very low37Very low227 Ų227133.1 Ų133.186%0.8679%0.786SS**  trans77.1-176.8133.8-105.3-51.2000123.4
431S27.7Very low38.4Very low98 Ų98133 Ų13369%0.68578%0.783SS**  trans-162.2173.8-141.7-43.40000115.4
432Q30.3Very low38.1Very low198 Ų198135.6 Ų135.693%0.92579%0.79SS**  trans72.2144156.6-73.3-167.9-3.500122.2
433A30.6Very low39.4Very low101 Ų101132.2 Ų132.284%0.83578%0.778SS**  trans-173151.513500000107.8
434S29.6Very low39.7Very low108 Ų108136.3 Ų136.376%0.75578%0.783SS**  cis-152.9177.60.157.20000108.4
435K24.2Very low39.5Very low203 Ų203136.3 Ų136.388%0.88378%0.783SS**  cis-155.4172.619.5-152.4161.9-176.3173.90112.9
436E29.3Very low39.5Very low149 Ų149136.4 Ų136.470%0.69678%0.784SS**  trans-93.2-176-164.7-108.8-170.48500116.1L438E436-L438 HydrophobicContact CG-CD1 4.17Å
437P50.8Low38.6Very low118 Ų118134.6 Ų134.677%0.76678%0.78SS**  cis-135.3178.422.635.4-12.1000119.7
438L34.3Very low39.8Very low148 Ų148136.9 Ų136.978%0.77578%0.782SS**  trans-79.3147.7-156.8-103.964.8000120.4E436E436-L438 HydrophobicContact CG-CD1 4.17Å
439P64Low39.9Very low120 Ų120137.3 Ų137.378%0.77978%0.779SS**  trans-130.8129.3162.536.8-21.1000116.2
440P66.8Low40.2Very low122 Ų122137.4 Ų137.479%0.79278%0.783SS**  trans-112-168.5168.243.2-34.2000111.6
441P64.2Low40.4Very low108 Ų108130 Ų13070%0.70178%0.776SS**  cis-134.9-173.4-6.843.2-25.8000116.4
442L33Very low40.4Very low162 Ų162132.3 Ų132.385%0.84879%0.786SS**  trans77.8144.9160.5-60.6-169.1000121.4
443P51.8Low40.1Very low102 Ų102127.8 Ų127.866%0.66278%0.783SS**  trans-146.8170.3-135.943.5-23.3000120.5
444L31.5Very low39.8Very low155 Ų155126.5 Ų126.581%0.81278%0.779SS**  trans47.8153.6142.5-72165.5000121.8
445P49.1Very low39.6Very low123 Ų123127.5 Ų127.580%0.79978%0.78SS**  cis-147.1-168.443.240-15.7000117.5
446P52.9Low39.7Very low116 Ų116124.6 Ų124.675%0.75378%0.78SS**  trans-133.4-171.8-165.645.6-31.6000119.2
447A32.6Very low39.5Very low92 Ų92120.6 Ų120.676%0.7678%0.779SS**  trans79.1168.2157.400000118.2
448P54.9Low38.4Very low116 Ų116119.9 Ų119.975%0.75378%0.783SS**  cis-120.4-14313.732.5-6.9000113.9
449Q32.1Very low38Very low167 Ų167123 Ų12378%0.7879%0.79SS**  cis-157.8-128.913.8-150.1175.922.800116
450N29.8Very low36.2Very low153 Ų153120.7 Ų120.782%0.81879%0.788SS**  trans-126.3172.6-156.5-57.9-17.6000113.7
451G28.3Very low34.4Very low70 Ų70119.3 Ų119.372%0.72279%0.787SS**  cis156.9162.2-9.800000115.2
452V27.1Very low32.6Very low147 Ų147123 Ų12389%0.89180%0.795SS**  trans84.4102157.5-171.70000122.7
453A25.2Very low32.4Very low104 Ų104120.3 Ų120.386%0.8679%0.789SS**  49.7140.4128.500000126.9
454G24.3Very low31.3Very low73 Ų73124.3 Ų124.375%0.75380%0.799SS**  trans134.3141.9144.800000116.7
455V25.8Very low31Very low129 Ų129122 Ų12278%0.78280%0.803SS**  cis-168.8133.8-34.9118.60000109
456T25.1Very low30.1Very low143 Ų143120.9 Ų120.988%0.87780%0.804SS**  trans56.7151.7169.854.20000119.9
457G26.7Very low28.9Very low65 Ų65122.4 Ų122.467%0.6781%0.811SS**  cis160.8173.2-800000112.9
458A26.9Very low28.8Very low103 Ų103122 Ų12285%0.85182%0.816SS**  trans62.2157.3170.100000117.2
459K25.1Very low27.5Very low214 Ų214120.2 Ų120.293%0.9382%0.818SS**  cis170155.5-28.2-114.4-171.8174.6-171.20104.4
460G26.6Very low27.3Very low71 Ų71115.7 Ų115.773%0.73280%0.802SS**  trans111.9106.6-177.400000110.9
461A28.9Very low27.3Very low93 Ų93115.3 Ų115.377%0.76980%0.798SS**  cis84.3134.721.200000115.5
462E27.1Very low27.3Very low185 Ų185116.1 Ų116.186%0.86478%0.783SS**  trans69.4145.3169.2-64.3174.2175.900116.2
463S29.3Very low28.2Very low105 Ų105114.2 Ų114.273%0.73477%0.772SS**  cis-154.5-178.2-7.6-125.80000114.1
464Q28.2Very low28.3Very low187 Ų187114.2 Ų114.287%0.87476%0.761SS**  trans-60.2152-174.7-58.1155-36.500115.5
465A25.7Very low29Very low107 Ų107121.6 Ų121.688%0.88477%0.767SS**  trans-153.3143.7140.300000109.4
466A29.3Very low29.3Very low99 Ų99126.9 Ų126.982%0.81877%0.773SS**  trans-143.5141.7175.900000110.4
467T28.2Very low30Very low148 Ų148131.5 Ų131.591%0.90877%0.774SS**  trans-159.7132.4155.836.50000108
468G29.8Very low30.5Very low83 Ų83140.2 Ų140.286%0.85679%0.787SS**  trans-82.2174.2160.200000111
469G27.7Very low30.8Very low79 Ų79147 Ų14781%0.81479%0.79SS**  trans-167.7110169.500000107.8
470V28.7Very low31.1Very low71 Ų71141.6 Ų141.643%0.4379%0.786SS.*  trans-75145.5172.7170.30000108Q472V470-Q472 HydrophobicContact CG1-CG 3.96Å
471I29.8Very low31.7Very low146 Ų146143.4 Ų143.475%0.74979%0.787SS**  trans-132.1133.4148-77.4-169000106.8E1069I471-E1069 WeakPolarHBondContact CA-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CB-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CG2-OE2 3.45Å
472Q28.9Very low32.4Very low87 Ų87144.8 Ų144.841%0.40778%0.776SS.*  trans-84.2-136.6-168.8-56.2179.9-400113V470 E1069V470-Q472 HydrophobicContact CG1-CG 3.96Å; Q472-E1069 VanDerWaalsContact CA-OE1 3.29Å; Q472-E1069 WeakPolarHBondContact CA-OE1 3.35Å; Q472-E1069 HydrophobicContact CB-CB 4.37Å; Q472-E1069 HydrophobicContact CB-CG 3.88Å; Q472-E1069 WeakPolarHBondContact CB-OE1 3.35Å; Q472-E1069 HydrophobicContact CG-CB 3.86Å; Q472-E1069 HydrophobicContact CG-CG 3.96Å; Q472-E1069 PolarHBondContact N-OE1 3.24Å; Q472-E1069 PolarHBondContact N-OE2 3.23Å
473T44.7Very low33.1Very low107 Ų107145.3 Ų145.366%0.65678%0.778SS**  trans-128135.8-153.573.90000114
474T28.3Very low33.8Very low103 Ų103146.3 Ų146.363%0.63277%0.774SS**  trans-116.7124.2171.9640000112.2R476 E1067T474-R476 PolarHBondContact O-N 3.43Å; T474-E1067 WeakPolarHBondContact CA-OE1 3.27Å; T474-E1067 WeakPolarHBondContact CB-OE1 2.99Å; T474-E1067 WeakPolarHBondContact CB-OE2 3.38Å; T474-E1067 HydrophobicContact CG2-CB 4.34Å; T474-E1067 HydrophobicContact CG2-CG 4.48Å; T474-E1067 VanDerWaalsContact CG2-OE2 3.26Å; T474-E1067 WeakPolarHBondContact CG2-OE2 3.42Å
475R37.7Very low34.8Very low228 Ų228141.7 Ų141.786%0.8676%0.755SS**  trans-98.181.9-167.9-83.4-173.9170.9-1740.8113.1R477 E1067R475-R477 PolarHBondContact O-N 3.38Å; R475-E1067 PolarHBondContact N-OE1 2.83Å
476R33Very low36Very low240 Ų240143.2 Ų143.291%0.90675%0.747SS**  trans-75.199.4179.9-153.9170.5-159.7-123.92.7114.1T474 R478T474-R476 PolarHBondContact O-N 3.43Å; R476-R478 PolarHBondContact O-N 2.93Å
477R40.3Very low37.1Very low240 Ų240144.5 Ų144.591%0.90674%0.737SS**PPolyproline II helixtrans-47.5123.8171.4-69.3-176.5-179.9-175.71.8111.9R475R475-R477 PolarHBondContact O-N 3.38Å
478R36.6Very low38.6Very low248 Ų248140.8 Ų140.894%0.93671%0.714SS**PPolyproline II helixtrans-85.2124.1160.9-68.7-169.5179.5-140.30.3109.3R476R476-R478 PolarHBondContact O-N 2.93Å
479R32.8Very low39.8Very low246 Ų246142.9 Ų142.993%0.92871%0.705SS**PPolyproline II helixtrans-71.8131.2171.4-63.7-176.4-177.1-167.20.2108.8S481R479-S481 PolarHBondContact O-N 2.88Å
480A31.8Very low40.8Very low101 Ų101142.2 Ų142.284%0.83569%0.691SS**PPolyproline II helixtrans-68.7123.4169.800000109.7
481S38.4Very low41.7Very low108 Ų108144.3 Ų144.376%0.75570%0.697SS**PPolyproline II helixtrans-72.7128.4168.7490000109.4R479 E483R479-S481 PolarHBondContact O-N 2.88Å; S481-E483 PolarHBondContact O-N 2.85Å
482K43.4Very low42.8Very low123 Ų123144.5 Ų144.554%0.53569%0.692SS.*PPolyproline II helixtrans-53.7123.3179.2-68.8-176.2-171.2165.70111.1
483E43.2Very low43.5Very low195 Ų195143.9 Ų143.991%0.91170%0.702SS**PPolyproline II helixtrans-71.7128.4167.3-61.8-172.2153.700108.9S481S481-E483 PolarHBondContact O-N 2.85Å
484I44Very low43.7Very low126 Ų126143.6 Ų143.665%0.64670%0.704SS**PPolyproline II helixtrans-82.5137.8178.334.4172.9000110.1L486I484-L486 PolarHBondContact O-N 3.23Å; I484-L486 VanDerWaalsContact O-N 3.08Å
485N48.5Very low44.5Very low90 Ų90146.4 Ų146.448%0.48171%0.71SS.*  trans-61.1113-169.7-172.6-6.3000112.2E487 T488N485-E487 PolarHBondContact O-N 2.93Å; N485-E487 VanDerWaalsContact OD1-CB 3.29Å; N485-E487 WeakPolarHBondContact OD1-CB 3.28Å; N485-E487 PolarHBondContact OD1-N 3.04Å; N485-T488 PolarHBondContact O-N 2.89Å
486L50.1Low44.6Very low139 Ų139143.7 Ų143.773%0.72871%0.709SS**Hα-helixtrans-61.8-28.4-179.5-129.472.9000112.8I484 L489 A490I484-L486 PolarHBondContact O-N 3.23Å; I484-L486 VanDerWaalsContact O-N 3.08Å; L486-L489 WeakPolarHBondContact O-CB 3.3Å; L486-L489 PolarHBondContact O-N 2.96Å; L486-A490 PolarHBondContact O-N 2.83Å
487E53.1Low45.1Very low126 Ų126138.9 Ų138.959%0.58970%0.697SS**Hα-helixtrans-69.1-37.5-178.9-165.9168.1-16100111.8N485 L489 A490 Q491N485-E487 PolarHBondContact O-N 2.93Å; N485-E487 VanDerWaalsContact OD1-CB 3.29Å; N485-E487 WeakPolarHBondContact OD1-CB 3.28Å; N485-E487 PolarHBondContact OD1-N 3.04Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 2.99Å; E487-A490 PolarHBondContact O-N 3.45Å; E487-Q491 WeakPolarHBondContact O-CG 3.2Å; E487-Q491 PolarHBondContact O-N 2.82Å
488T59.6Low44.7Very low71 Ų71132.4 Ų132.444%0.43669%0.688SS.*Hα-helixtrans-66.3-32.8174.4-45.60000111.8N485 K492N485-T488 PolarHBondContact O-N 2.89Å; T488-K492 WeakPolarHBondContact O-CB 3.33Å; T488-K492 PolarHBondContact O-N 3.1Å
489L54.7Low44.5Very low127 Ų127128.1 Ų128.167%0.66568%0.683SS**Hα-helixtrans-70.3-42174.7-164.676.3000111.4L486 E487 K492 A493L486-L489 WeakPolarHBondContact O-CB 3.3Å; L486-L489 PolarHBondContact O-N 2.96Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 2.99Å; L489-K492 PolarHBondContact O-N 2.79Å; L489-A493 PolarHBondContact O-N 3.08Å; L489-A493 VanDerWaalsContact O-N 3.08Å
490A48.8Very low44.6Very low64 Ų64122.3 Ų122.353%0.52968%0.678SS.*Hα-helixtrans-64.8-43177.300000112.4L486 E487 A493 S494L486-A490 PolarHBondContact O-N 2.83Å; E487-A490 PolarHBondContact O-N 3.45Å; A490-A493 PolarHBondContact O-N 2.96Å; A490-S494 PolarHBondContact O-N 2.73Å
491Q48.8Very low44.4Very low116 Ų116122.4 Ų122.454%0.54268%0.678SS.*Hα-helixtrans-60.5-46.7175-72.6171.42.200111.4E487 A493 S494 E495E487-Q491 WeakPolarHBondContact O-CG 3.2Å; E487-Q491 PolarHBondContact O-N 2.82Å; Q491-A493 VanDerWaalsContact C-N 3.29Å; Q491-A493 PolarHBondContact O-N 2.95Å; Q491-S494 WeakPolarHBondContact O-CB 3.37Å; Q491-S494 PolarHBondContact O-N 3.44Å; Q491-E495 PolarHBondContact O-N 3.05Å
492K51.7Low43.8Very low150 Ų150127.6 Ų127.665%0.65269%0.687SS**Hα-helixtrans-68.4-25.1-179.1-159.3165.8-171169.60113.8T488 L489T488-K492 WeakPolarHBondContact O-CB 3.33Å; T488-K492 PolarHBondContact O-N 3.1Å; L489-K492 PolarHBondContact O-N 2.79Å
493A43.5Very low43.1Very low74 Ų74126.6 Ų126.661%0.61270%0.702SS**Hα-helixtrans-73.6-29169.800000112.8L489 A490 Q491 E495L489-A493 PolarHBondContact O-N 3.08Å; L489-A493 VanDerWaalsContact O-N 3.08Å; A490-A493 PolarHBondContact O-N 2.96Å; Q491-A493 VanDerWaalsContact C-N 3.29Å; Q491-A493 PolarHBondContact O-N 2.95Å; A493-E495 VanDerWaalsContact C-N 3.29Å; A493-E495 PolarHBondContact O-N 3.29Å
494S49.9Very low42.3Very low100 Ų100121.8 Ų121.870%0.69970%0.695SS**Hα-helixtrans-76.6-12.5178.6-168.80000114A490 Q491A490-S494 PolarHBondContact O-N 2.73Å; Q491-S494 WeakPolarHBondContact O-CB 3.37Å; Q491-S494 PolarHBondContact O-N 3.44Å
495E45.2Very low41.4Very low163 Ų163123.5 Ų123.576%0.76270%0.698SS**THydrogen-bonded Turntrans-90.6-5.7-172.4-155.1168.5-145.600113.5Q491 A493Q491-E495 PolarHBondContact O-N 3.05Å; A493-E495 VanDerWaalsContact C-N 3.29Å; A493-E495 PolarHBondContact O-N 3.29Å
496M38.4Very low40.3Very low171 Ų171126 Ų12684%0.84271%0.707SS**SBendtrans-1147.9-173.5-68.4-168.464.200115.9
497E44Very low39.2Very low138 Ų138126.7 Ų126.765%0.64571%0.711SS**  trans-112.257-174.2-155.7-179.1-165.200115.3R564E497-R564 IonicContact OE1-CZ 2.93Å; E497-R564 IonicContact OE1-NH1 3.25Å; E497-R564 PolarHBondContact OE1-NH1 3.41Å; E497-R564 IonicContact OE2-CZ 2.67Å; E497-R564 IonicContact OE2-NH1 3.44Å; E497-R564 PolarHBondContact OE2-NH1 3.05Å; E497-R564 IonicContact OE2-NH2 3.4Å; E497-R564 PolarHBondContact OE2-NH2 2.73Å
498S32Very low38.1Very low104 Ų104124.5 Ų124.573%0.72772%0.715SS**  trans-167.3142.3161.578.70000109.1
499L33.1Very low37Very low159 Ų159126.7 Ų126.783%0.83273%0.73SS**  cis-133.3-149.32.6-67.4170.8000109.7
500P33.6Very low35.8Very low124 Ų124126.2 Ų126.281%0.80574%0.737SS**  -119.8174.8-96.239.4-23.7000114.7
501A28.2Very low34.7Very low103 Ų103127.2 Ų127.285%0.85175%0.746SS**  trans-104.3150.6174.500000113.4
502K27Very low33.7Very low216 Ų216129.9 Ų129.994%0.93976%0.762SS**  trans-151.4154162.6-138.4176.6-175.6-177.60109.5
503A27.6Very low32.8Very low102 Ų102128.9 Ų128.984%0.84377%0.768SS**  trans-145156.6-16400000114.4
504A26.6Very low32.1Very low94 Ų94130.8 Ų130.878%0.77777%0.774SS**  trans-162.7129.2159.800000112.3
505K26.1Very low31.1Very low163 Ų163133.3 Ų133.371%0.70978%0.779SS**  trans46.3120.1131.9-69-171.5160.9-74.70120.9
506E24.8Very low30.2Very low143 Ų143131.9 Ų131.967%0.66878%0.781SS**  77.4143.492.4-67.8158.9-169.200112.9
507D26.2Very low29.6Very low152 Ų152130.8 Ų130.881%0.81378%0.777SS**  cis-148-176.220.3-133.7-39.9000114.3
508A29.4Very low29.2Very low80 Ų80129.1 Ų129.166%0.66178%0.778SS**  trans-90.1-171.7-170.300000116.6
509P37.8Very low28.9Very low117 Ų117128.6 Ų128.676%0.7677%0.77SS**  -151.5154.995.740.1-23.1000118.7
510S29.2Very low28.7Very low117 Ų117126 Ų12682%0.81877%0.766SS**  trans62150.6146.8-63.10000122.2
511A25.4Very low28.6Very low85 Ų85124.9 Ų124.970%0.70276%0.757SS**  cis-172.1149.3-23.200000110
512I28.9Very low28.8Very low173 Ų173125.8 Ų125.889%0.88775%0.753SS**  trans175.5150.6145.9-94.7155.9000108.7
513V32.3Very low29Very low129 Ų129121.1 Ų121.178%0.78274%0.743SS**  trans-127.8152.4-167.7-174.10000110.5
514P29.4Very low29.1Very low113 Ų113123.1 Ų123.173%0.73474%0.735SS**  trans-137.8134.4130.935.5-23.3000115.5
515L27.6Very low29.1Very low154 Ų154126.8 Ų126.881%0.80673%0.733SS**  trans39.7126.8150.8-74.873.1000121.3
516V27.7Very low29.1Very low132 Ų132123.6 Ų123.680%0.873%0.731SS**  trans-113.8139.6155.5171.90000108.5
517I24.6Very low29.1Very low149 Ų149125.6 Ų125.676%0.76474%0.741SS**  trans-113.1124161-61.6178.7000107.6
518P36.1Very low29.1Very low103 Ų103123 Ų12367%0.66974%0.741SS**  trans-86.1150.6-178.534.5-34.5000112.1
519V24.8Very low28.9Very low92 Ų92127.6 Ų127.656%0.55875%0.749SS**  trans-134132.2157.4-176.70000107.5R551V519-R551 VanDerWaalsContact O-CZ 3.29Å; V519-R551 PolarHBondContact O-NH1 2.85Å; V519-R551 PolarHBondContact O-NH2 3.13Å
520S30.1Very low28.4Very low106 Ų106126.9 Ų126.974%0.74175%0.746SS**  trans-97.7152.7175.3-61.40000110.4
521V31.7Very low28.3Very low100 Ų100130.7 Ų130.761%0.60675%0.751SS**  trans-119.2108.7175.1179.90000109.3
522P31.6Very low28.4Very low121 Ų121130.7 Ų130.779%0.78676%0.759SS**  trans-74.4160.8166.2-15.532000112
523V31Very low28.2Very low119 Ų119125.7 Ų125.772%0.72175%0.75SS**  trans-147.9125.4-166.1173.70000111.5
524H29.5Very low27.7Very low144 Ų144132 Ų13267%0.66776%0.76SS**  trans177.1141.4143.8-101.826.6000115.5
525K26.9Very low27.6Very low170 Ų170130.6 Ų130.674%0.73976%0.758SS**  42149.3125-60.6179.7-171.4159.20120.9
526S25.3Very low27.5Very low97 Ų97132.6 Ų132.668%0.67876%0.764SS**  cis-175.9154.1-2.843.70000113.5
527Q24.9Very low27.4Very low184 Ų184130 Ų13086%0.8676%0.763SS**  trans46.1124.3136.7-172.3-177.810.900122.5
528A27.7Very low27.4Very low99 Ų99134.2 Ų134.282%0.81877%0.77SS**  trans-171.5166.3139.900000112.1
529E24.6Very low26.9Very low176 Ų176136.2 Ų136.282%0.82278%0.78SS**  trans-121.4168.6-174.6-64.8169.593.100114
530S28Very low26.8Very low102 Ų102134.9 Ų134.971%0.71379%0.785SS**  trans118.2137.7134.477.90000120.9
531Q25.9Very low26.6Very low196 Ų196139.9 Ų139.992%0.91680%0.796SS**  trans50.3140.1152.9-65-175.3-8400123.4
532G27.3Very low26.4Very low85 Ų85138.5 Ų138.588%0.87680%0.802SS**  trans128.2118.2151.400000114.5
533G24.6Very low26.2Very low68 Ų68142.3 Ų142.370%0.70181%0.809SS**  trans-113.6174.8-173.200000116.5
534W22.8Very low26Very low261 Ų261147.6 Ų147.699%0.98982%0.817SS**  trans83.2130.6163.9-61.888.7000120.9
535A26.9Very low25.8Very low84 Ų84147.4 Ų147.469%0.69483%0.825SS**  trans77.497.7144.200000122.4
536Q25.7Very low25.7Very low197 Ų197144.2 Ų144.292%0.92183%0.831SS**  67.1107.3111-168.9174.5-8.100120.7
537G25Very low25.7Very low77 Ų77143 Ų14379%0.79483%0.834SS**  trans-170.6159.4165.900000113.2
538R25.5Very low25.9Very low238 Ų238144 Ų14490%0.89884%0.838SS**  trans-121167.8176.9-61.9-165.6-153.9-115.312.9111.9
539V24.5Very low25.9Very low145 Ų145143.8 Ų143.888%0.87984%0.837SS**  trans74.4143.5165.4-165.90000114.1
540G23.6Very low26Very low64 Ų64140.8 Ų140.866%0.6683%0.827SS**  cis155.6115.6-13.500000114.9
541Q26Very low26Very low210 Ų210143.6 Ų143.698%0.98182%0.822SS**  trans62.8149.7168.4-69.5-168.5-64.400121
542G27.1Very low26.6Very low71 Ų71142 Ų14273%0.73281%0.812SS**  trans110132.5175.900000113.5
543E26.8Very low27.2Very low201 Ų201143.8 Ų143.894%0.93981%0.808SS**  cis-149.8-174.9-18.9-152.4166.2122.500109.7
544R26.4Very low27.3Very low231 Ų231146 Ų14687%0.87281%0.813SS**  trans-108.6142.3-162.1-66.5174162.9-168.4-5.4115.3
545T26.4Very low27.6Very low139 Ų139139.9 Ų139.985%0.85380%0.804SS**  174.8118.8128.833.60000108.6
546A25.2Very low27.7Very low104 Ų104143.5 Ų143.586%0.8681%0.81SS**  79.1123.66900000114.1
547G25.2Very low27.8Very low72 Ų72140.3 Ų140.374%0.74280%0.803SS**  cis172.5-173.8-6.100000115
548Q28.1Very low28Very low203 Ų203141.5 Ų141.595%0.94981%0.806SS**  trans67.5155.2173.7-65.6-153-24.800118.2
549A27.9Very low28.1Very low96 Ų96141.6 Ų141.679%0.79381%0.806SS**  cis-137.6166.96.700000113.9
550D27.5Very low28.5Very low113 Ų113146.3 Ų146.360%0.60481%0.808SS**  trans-94156-175.2-158-17.6000112.6K552D550-K552 WeakPolarHBondContact OD1-CE 3.34Å; D550-K552 IonicContact OD1-NZ 3.88Å; D550-K552 WeakPolarHBondContact OD2-CE 3.06Å; D550-K552 IonicContact OD2-NZ 2.66Å; D550-K552 PolarHBondContact OD2-NZ 2.78Å
551R28.6Very low28.8Very low160 Ų160155.1 Ų155.160%0.60482%0.821SS**  trans-148.9119.1160.1-162.3-177-168.4175.512.8111.2V519V519-R551 VanDerWaalsContact O-CZ 3.29Å; V519-R551 PolarHBondContact O-NH1 2.85Å; V519-R551 PolarHBondContact O-NH2 3.13Å
552K37.8Very low28.8Very low163 Ų163150.8 Ų150.871%0.70982%0.815SS**  trans-109.6161.9-171.3-87.7161.3178.7158.90113.7D550D550-K552 WeakPolarHBondContact OD1-CE 3.34Å; D550-K552 IonicContact OD1-NZ 3.88Å; D550-K552 WeakPolarHBondContact OD2-CE 3.06Å; D550-K552 IonicContact OD2-NZ 2.66Å; D550-K552 PolarHBondContact OD2-NZ 2.78Å
553P38.8Very low28.8Very low123 Ų123154.8 Ų154.880%0.79982%0.818SS**  trans-89.4172.6-161.236.1-37.9000114.4
554S28.1Very low29Very low114 Ų114154.5 Ų154.580%0.79781%0.809SS**  trans-108.2148.2168.855.50000111.9
555V27.6Very low29.1Very low132 Ų132150.6 Ų150.680%0.881%0.805SS**  trans-111.8137.1178.9174.60000109.2
556I30.6Very low29Very low161 Ų161149.8 Ų149.883%0.82681%0.805SS**  trans-110.6123.3174.6-65.5179.5000109.8
557V28.1Very low29.1Very low129 Ų129151.2 Ų151.278%0.78280%0.803SS**  trans-85.3129.5178177.20000110.5
558A28.2Very low29.2Very low102 Ų102154.5 Ų154.584%0.84381%0.809SS**  trans-74130.6175.500000111.9
559R28.5Very low29.3Very low241 Ų241152.4 Ų152.491%0.90980%0.799SS**  trans-126135.1167.5-162.8168.8-176159.81.4111.2
560R31.2Very low29.2Very low244 Ų244153.7 Ų153.792%0.92180%0.802SS**  trans-54.3140.8-170.3-58.4166.6-176.3-99.1-1.6112.9
561R30.1Very low29.4Very low248 Ų248156.9 Ų156.994%0.93681%0.811SS**  trans-120.9144.9159.4-76.7-168.9173.5-166-0.9110.7
562S26.5Very low29.5Very low120 Ų120152.7 Ų152.784%0.83982%0.817SS**  trans-86.1153.7172.8-172.80000110.3
563L27.6Very low29.4Very low155 Ų155154.5 Ų154.581%0.81283%0.828SS**  trans-112.5121.4176.4-77169.2000111
564R30.1Very low28.9Very low195 Ų195153.3 Ų153.374%0.73682%0.815SS**  trans-140.1132.1158.5-110.5-177.4169.3-172.1-6.2107E497E497-R564 IonicContact OE1-CZ 2.93Å; E497-R564 IonicContact OE1-NH1 3.25Å; E497-R564 PolarHBondContact OE1-NH1 3.41Å; E497-R564 IonicContact OE2-CZ 2.67Å; E497-R564 IonicContact OE2-NH1 3.44Å; E497-R564 PolarHBondContact OE2-NH1 3.05Å; E497-R564 IonicContact OE2-NH2 3.4Å; E497-R564 PolarHBondContact OE2-NH2 2.73Å
565N28.4Very low29.1Very low149 Ų149150.7 Ų150.780%0.79781%0.806SS**  trans-108.2139.5-174.9-67.6-7000110.8
566S24Very low29.4Very low121 Ų121150.6 Ų150.685%0.84680%0.797SS**  trans-150.7124.5158.2580000108.8
567V27.5Very low29.4Very low134 Ų134148.1 Ų148.181%0.81279%0.794SS**  trans-120.5138.2177.4173.50000108.2
568T28.1Very low29.4Very low142 Ų142149.9 Ų149.987%0.87180%0.799SS**  trans-129.9137.5165.329.70000109.5
569E31Very low29.4Very low158 Ų158150 Ų15074%0.73879%0.794SS**  trans-76.8166.1-177.3-64.3159.7104.200112.2F571E569-F571 HydrophobicContact CB-CD2 4.46Å; E569-F571 HydrophobicContact CB-CE2 4.43Å; E569-F571 WeakPolarHBondContact OE1-CE2 3.16Å
570S25.4Very low29.4Very low123 Ų123141.8 Ų141.886%0.8678%0.784SS**  trans-138.3120.2155-159.20000108.7
571F31.4Very low29.4Very low181 Ų181139.1 Ų139.179%0.79479%0.785SS**  trans-86.3162.1173.4-83.2-102.4000110.3E569E569-F571 HydrophobicContact CB-CD2 4.46Å; E569-F571 HydrophobicContact CB-CE2 4.43Å; E569-F571 WeakPolarHBondContact OE1-CE2 3.16Å
572G30.8Very low29.4Very low71 Ų71136 Ų13673%0.73278%0.78SS**  trans-131.9150.1165.400000111
573Q34.6Very low29.8Very low201 Ų201139.2 Ų139.294%0.93978%0.782SS**  trans-162.7153.5165.8-120.51722.900109.8
574D28.6Very low30Very low98 Ų98136.9 Ų136.952%0.52477%0.77SS.*  trans-135160.9173.9-101.1-39.5000108K71 W72K71-D574 WeakPolarHBondContact CE-OD2 3.36Å; K71-D574 IonicContact NZ-OD1 2.67Å; K71-D574 PolarHBondContact NZ-OD1 3.49Å; K71-D574 IonicContact NZ-OD2 3.83Å; K71-D574 PolarHBondContact NZ-OD2 3.11Å; K71-D574 VanDerWaalsContact NZ-OD2 3.17Å; W72-D574 HydrophobicContact CZ2-CB 3.78Å
575G33.3Very low30.3Very low60 Ų60131 Ų13162%0.61977%0.77SS**  trans167.9151.8174.800000111.2
576E33.7Very low30.5Very low129 Ų129131.5 Ų131.560%0.60377%0.766SS**  trans-153.5138.8-171.2-66.992.8-11.500109.2K71K71-E576 IonicContact NZ-OE2 3.9Å; K71-E576 PolarHBondContact NZ-OE2 3.4Å
577S30.5Very low31Very low109 Ų109130.2 Ų130.276%0.76276%0.762SS**  cis-166.7170.9-9.7-79.90000111
578D27.3Very low31.3Very low166 Ų166131.6 Ų131.689%0.88876%0.757SS**  trans71.2174.3162.8-125.852.6000117.6
579S28.8Very low31.7Very low106 Ų106135 Ų13574%0.74176%0.76SS**  cis-147-144.6870.20000115.2
580G28.3Very low31.8Very low68 Ų68136.7 Ų136.770%0.70176%0.76SS**  trans-102.7-175.1-168.400000117.8
581M31.8Very low32.3Very low188 Ų188142.4 Ų142.493%0.92676%0.763SS**  cis-149.6-169.710.3-142.1177-176.100113
582E29.8Very low32.6Very low181 Ų181143.9 Ų143.985%0.84676%0.763SS**  trans-86.3175.6-161.6-53.7-170.411700114.8
583E34Very low32.9Very low189 Ų189146.6 Ų146.688%0.88377%0.766SS**  cis-150.6-168.633.3-146.1-156.3116.800115.7
584D32.9Very low33.3Very low105 Ų105148.3 Ų148.356%0.56176%0.763SS**  trans-67.7147.9-153.7-175.134.4000119.1K586D584-K586 WeakPolarHBondContact OD2-CE 3.48Å; D584-K586 WeakPolarHBondContact OD2-CG 3.46Å; D584-K586 IonicContact OD2-NZ 2.76Å; D584-K586 PolarHBondContact OD2-NZ 2.89Å
585G35.3Very low34.4Very low71 Ų71149.3 Ų149.373%0.73278%0.775SS**  trans-160.3102.7173.700000111.8A587G585-A587 PolarHBondContact O-N 3.3Å
586K32.7Very low34.7Very low161 Ų161155 Ų15570%0.779%0.786SS**  trans-80103.9-156.9-65.3171.6177.272.70116.2D584D584-K586 WeakPolarHBondContact OD2-CE 3.48Å; D584-K586 WeakPolarHBondContact OD2-CG 3.46Å; D584-K586 IonicContact OD2-NZ 2.76Å; D584-K586 PolarHBondContact OD2-NZ 2.89Å
587A35Very low35.4Very low94 Ų94154.1 Ų154.178%0.77779%0.791SS**  trans-143.4126.9150.200000110.9G585G585-A587 PolarHBondContact O-N 3.3Å
588K34.2Very low36Very low162 Ų162157 Ų15770%0.70480%0.797SS**  trans-110.396.1-159.3-66.9174.3-178.1169.30114.5R590K588-R590 PolarHBondContact O-N 2.94Å
589F36.3Very low36.6Very low214 Ų214156.3 Ų156.394%0.93979%0.792SS**  trans-72117.8157.3-78.4-81.9000110
590R34.1Very low37.3Very low193 Ų193158.5 Ų158.573%0.72879%0.794SS**  trans-110.2107.3172.4-75.8-154.1179.6-78.89.9112.3K588K588-R590 PolarHBondContact O-N 2.94Å
591R35.1Very low37.8Very low243 Ų243160 Ų16092%0.91779%0.791SS**  trans-78.7149.9147.7-56.1-174.2-168.8-1695.7108.5
592R37.6Very low38.3Very low213 Ų213156.5 Ų156.580%0.80478%0.783SS**  trans-129.9105.4161.8-77.3-174.1176.9-178.8-0.2106.2
593T36.9Very low38.8Very low128 Ų128154 Ų15479%0.78578%0.782SS**  61.811893.152.40000114.3
594R43.7Very low38.9Very low236 Ų236154.4 Ų154.489%0.89178%0.781SS**PPolyproline II helixtrans-78.5142170.4179.8-179.2-176.2166.51.2108.7
595P51.8Low39.5Very low119 Ų119155.5 Ų155.577%0.77379%0.793SS**PPolyproline II helixtrans-62.6144.8176-23.634.6000113
596E38.8Very low39.3Very low179 Ų179157.2 Ų157.284%0.83679%0.794SS**PPolyproline II helixtrans-83.5143.5171.3-171.9172.5-150.900110
597P49.6Very low39.3Very low111 Ų111155.3 Ų155.372%0.72180%0.796SS**PPolyproline II helixtrans-72.7128.517829-33.9000111.6I599P597-I599 PolarHBondContact O-N 3.26Å; P597-I599 VanDerWaalsContact O-N 3.16Å
598L41.2Very low39.5Very low170 Ų170160.6 Ų160.689%0.8980%0.802SS**  trans-62.3113.7174.1-86.6162.1000111.3I600L598-I600 PolarHBondContact O-N 3.48Å
599I40.9Very low39.4Very low152 Ų152160.3 Ų160.378%0.77981%0.807SS**  trans-79.4109.8170.1-60.3173.3000108.4P597P597-I599 PolarHBondContact O-N 3.26Å; P597-I599 VanDerWaalsContact O-N 3.16Å
600I42.6Very low39.1Very low152 Ų152155.3 Ų155.378%0.77980%0.796SS**PPolyproline II helixtrans-87.3123.5161.1-59.6178.5000106.8L598L598-I600 PolarHBondContact O-N 3.48Å
601P40.6Very low39.1Very low99 Ų99152.3 Ų152.364%0.64380%0.801SS**PPolyproline II helixtrans-70.1145.6-174.828.1-35000111.9
602P41.6Very low39.3Very low115 Ų115146.1 Ų146.175%0.74780%0.795SS**PPolyproline II helixtrans-68.6131.6175.328.1-33.7000110.6K604P602-K604 PolarHBondContact O-N 3.06Å
603P40.8Very low39.4Very low128 Ų128142 Ų14283%0.83179%0.793SS**PPolyproline II helixtrans-65.6132.4172.827.1-33000110.3
604K35.3Very low39.2Very low198 Ų198145.2 Ų145.286%0.86179%0.793SS**PPolyproline II helixtrans-74.5148.2-180-65.5179.2-179.8177.90111.1P602P602-K604 PolarHBondContact O-N 3.06Å
605P46.4Very low38.8Very low127 Ų127139.9 Ų139.983%0.82579%0.791SS**PPolyproline II helixtrans-80.1129.9-179.231.4-34.2000112.4
606S30.8Very low38.2Very low107 Ų107138.2 Ų138.275%0.74878%0.783SS**  trans-163.8152.8156.8-168.70000113.5
607T33.2Very low38.2Very low121 Ų121137.3 Ų137.374%0.74278%0.782SS**  trans80.7110.4155.9-42.10000118.7
608F37.4Very low37.6Very low206 Ų206138.5 Ų138.590%0.90479%0.787SS**  trans-70.4136.4167.4-85.6-124.9000112.7
609I32.8Very low37.3Very low156 Ų156138.8 Ų138.880%0.878%0.784SS**  trans-142.9138.9151.2-64.5-170.2000107
610P31.1Very low36.9Very low109 Ų109143.2 Ų143.271%0.70879%0.792SS**  trans-84.9161.9-160.132.5-37.6000116.5S612P610-S612 PolarHBondContact O-N 3.06Å
611P33.4Very low36.5Very low129 Ų129143.8 Ų143.884%0.83879%0.792SS**  trans-84.293.7-173.433.2-35.7000114.3
612S38.6Very low36.3Very low113 Ų113142.3 Ų142.379%0.7978%0.784SS**  trans-166.1132.2158.9-80.70000107.1P610P610-S612 PolarHBondContact O-N 3.06Å
613V41Very low36.2Very low127 Ų127144.9 Ų144.977%0.7779%0.791SS**  cis-142.4136.419.81770000109.4
614Y31Very low36.3Very low196 Ų196146.9 Ų146.977%0.76979%0.794SS**  trans-174.6139.5136.3-119.6-86000110.6S616Y614-S616 WeakPolarHBondContact CE1-OG 3.43Å
615S35.5Very low36.5Very low124 Ų124147.7 Ų147.787%0.86779%0.792SS**  trans-152.366.3176.1-73.40000110.8
616S40.1Very low36.1Very low84 Ų84146.6 Ų146.659%0.58779%0.787SS**  trans-16772.3178.145.80000113.2Y614Y614-S616 WeakPolarHBondContact CE1-OG 3.43Å
617I37.5Very low36.8Very low159 Ų159147.5 Ų147.582%0.81579%0.79SS**  trans-155.7118.7148.3-94136.6000106.8
618T38.8Very low37Very low137 Ų137148.6 Ų148.684%0.8480%0.796SS**  trans-98.3118.7175.548.30000109.8
619H33Very low37Very low176 Ų176149.2 Ų149.282%0.81579%0.793SS**  trans-131.5149.3160.1-92.150.8000108.9Q621H619-Q621 PolarHBondContact O-N 3.12Å
620Y33.2Very low37.3Very low244 Ų244149.5 Ų149.596%0.95780%0.795SS**PPolyproline II helixtrans-46.7121.1-165.7-85.8-110.1000114.9
621Q35.3Very low38.2Very low164 Ų164150 Ų15077%0.76680%0.799SS**PPolyproline II helixtrans-99.8141.5161-86.8-77.40.300109.6H619H619-Q621 PolarHBondContact O-N 3.12Å
622S35.2Very low38.6Very low69 Ų69150.9 Ų150.948%0.48380%0.796SS.*PPolyproline II helixtrans-84.4129-178.5580000111.8L624S622-L624 PolarHBondContact O-N 2.89Å
623N40.9Very low38.6Very low168 Ų168152.6 Ų152.690%0.89880%0.796SS**SBendtrans-68.824.3175.6-69.7-20.8000114.8
624L42.4Very low39Very low170 Ų170153.8 Ų153.889%0.8980%0.798SS**SBendtrans-13742.5-178.7-69.9176.7000112.1S622S622-L624 PolarHBondContact O-N 2.89Å
625R39.8Very low39.9Very low216 Ų216153.4 Ų153.482%0.81580%0.803SS**  trans-133138.7162.7-74.2-170.1175.1-107.2-2.5111.1
626S37.3Very low39.9Very low103 Ų103152.5 Ų152.572%0.7280%0.796SS**PPolyproline II helixtrans-72.2156.8176.953.50000112.2
627P44.7Very low40Very low126 Ų126155.6 Ų155.682%0.81881%0.805SS**PPolyproline II helixtrans-55.7139.5173.4-25.234.8000113.2
628V38Very low40.2Very low144 Ų144153.5 Ų153.587%0.87380%0.802SS**PPolyproline II helixtrans-76.6136.1167.41770000108.4
629R38Very low40.7Very low219 Ų219152.6 Ų152.683%0.82680%0.798SS**PPolyproline II helixtrans-80.2138.5179.9-68-174.8173110.2-2111.6
630L39.1Very low41.2Very low162 Ų162154 Ų15485%0.84880%0.798SS**PPolyproline II helixtrans-81.5144.3151.1-84.4163.6000109D632L630-D632 PolarHBondContact O-N 3.32Å
631P49.5Very low41.8Very low121 Ų121147.8 Ų147.879%0.78679%0.786SS**SBendtrans-9169.8-173.137.1-35.9000112.3
632D41.6Very low42.3Very low147 Ų147144 Ų14479%0.78678%0.775SS**  trans-148.1144.5163.7-101.4-44.4000110.8L630L630-D632 PolarHBondContact O-N 3.32Å
633N38Very low42.9Very low148 Ų148145.8 Ų145.879%0.79179%0.785SS**  trans66.987.2-174.4-52.1-78.7000115.7
634L49.2Very low43.2Very low153 Ų153143.7 Ų143.780%0.80178%0.781SS**  trans-68.1156.2148.7-67164.7000109.4
635H50.4Low43.6Very low188 Ų188143.1 Ų143.187%0.8778%0.777SS**SBendtrans80.143.6178-41.7103.5000118.5
636S36Very low43.8Very low104 Ų104139.8 Ų139.873%0.72778%0.775SS**  trans-158.2152.3138.954.30000112.2
637L41.1Very low44.1Very low149 Ų149138.9 Ų138.978%0.7877%0.768SS**  trans-121.7121168.2-73.3173.4000108.2P639L637-P639 WeakPolarHBondContact O-CD 3.21Å
638P43.6Very low44.4Very low116 Ų116137.4 Ų137.475%0.75376%0.759SS**  trans-72.6124.6170.628.8-31.8000109.5Y640P638-Y640 PolarHBondContact O-N 3.41Å
639P47.8Very low44.8Very low117 Ų117135.8 Ų135.876%0.7675%0.749SS**  trans-75.4108.8-179.629.1-33.2000110.9L637 T641L637-P639 WeakPolarHBondContact O-CD 3.21Å; P639-T641 PolarHBondContact O-N 2.76Å
640Y44.3Very low45.4Very low206 Ų206135.8 Ų135.881%0.80875%0.749SS**  trans-81.197.6165.5-179.3-96.5000109.6P638P638-Y640 PolarHBondContact O-N 3.41Å
641T46.6Very low45.9Very low114 Ų114132.4 Ų132.470%0.69975%0.753SS**  trans-102.4113.3175.3-51.40000109.4P639P639-T641 PolarHBondContact O-N 2.76Å
642P45.1Very low45.9Very low83 Ų83129.1 Ų129.154%0.53974%0.741SS.*  trans-67.7144.4174.128.5-33.8000110.6
643P46.7Very low46.5Very low107 Ų107128.4 Ų128.470%0.69574%0.743SS**  trans-60.9141.4178.1-2434.3000112.5I645P643-I645 PolarHBondContact O-N 3.17Å
644P48Very low46.9Very low124 Ų124123.5 Ų123.581%0.80573%0.726SS**  trans-68.3115.3178.927.4-33.8000111L646P644-L646 PolarHBondContact O-N 3.27Å
645I51Low47Very low159 Ų159123.9 Ų123.982%0.81573%0.728SS**  trans-78.595.9176.9-58.3178.7000108.8P643P643-I645 PolarHBondContact O-N 3.17Å
646L43.2Very low46.7Very low146 Ų146124.2 Ų124.276%0.76472%0.724SS**  trans79.2136.9173.4-51.7169.3000116.5P644P644-L646 PolarHBondContact O-N 3.27Å
647S43.8Very low46.9Very low84 Ų84126.1 Ų126.159%0.58772%0.719SS**  trans-84.3141.4170.4171.10000110.5V649S647-V649 PolarHBondContact O-N 2.96Å; S647-V649 PolarHBondContact OG-N 3.28Å
648P50.5Low47.2Very low95 Ų95122 Ų12262%0.61770%0.703SS**SBendtrans-65.4-22.9175.9-1829.6000114.4L708P648-L708 HydrophobicContact CG-CD2 3.82Å
649V48Very low47.2Very low110 Ų110119.1 Ų119.167%0.66769%0.688SS**  trans-112.780.1-171.1-168.60000110.2S647S647-V649 PolarHBondContact O-N 2.96Å; S647-V649 PolarHBondContact OG-N 3.28Å
650R49.2Very low47.1Very low218 Ų218121.9 Ų121.982%0.82369%0.689SS**  trans-120.7105.4164.2-162.2176.1-159.2-104.51.8109.3G652R650-G652 PolarHBondContact O-N 3.27Å
651G51.3Low47Very low91 Ų91117.2 Ų117.294%0.93868%0.678SS**  trans-65.393.9172.400000110.6
652G48.3Very low46.9Very low52 Ų52115.7 Ų115.754%0.53667%0.668SS.*SBendtrans170.1159-17900000112.3R650 G654R650-G652 PolarHBondContact O-N 3.27Å; G652-G654 PolarHBondContact O-N 3.1Å
653T53.5Low46.7Very low133 Ų133118.6 Ų118.682%0.81668%0.679SS**  trans-71.983.7-175.950.70000112
654G46.8Very low46.8Very low44 Ų44119.7 Ų119.745%0.45468%0.678SS.*  trans-75.3162.9171.400000113.2G652 Y656 F657G652-G654 PolarHBondContact O-N 3.1Å; G654-Y656 PolarHBondContact O-N 3.23Å; G654-F657 WeakPolarHBondContact O-CB 3.21Å; G654-F657 PolarHBondContact O-N 3.45Å
655L51.1Low46.6Very low161 Ų161117.4 Ų117.484%0.84367%0.669SS**THydrogen-bonded Turntrans-60.7-9.9-170.4-70.6166.9000116.4S658L655-S658 PolarHBondContact O-OG 3.15Å
656Y45.1Very low46.2Very low196 Ų196115.6 Ų115.677%0.76967%0.665SS**THydrogen-bonded Turntrans-95.6-14.6174.8-59.8-70.7000113.5G654 S658 A659G654-Y656 PolarHBondContact O-N 3.23Å; Y656-S658 VanDerWaalsContact C-N 3.34Å; Y656-A659 PolarHBondContact O-N 2.96Å
657F41.1Very low45.8Very low143 Ų143113.8 Ų113.863%0.62767%0.665SS**THydrogen-bonded Turntrans-73.2-28.4179.9-155-89.2000112.1G654 A659G654-F657 WeakPolarHBondContact O-CB 3.21Å; G654-F657 PolarHBondContact O-N 3.45Å; F657-A659 VanDerWaalsContact C-N 3.33Å
658S47.4Very low45.5Very low63 Ų63116.7 Ų116.744%0.44167%0.674SS.*Hα-helixtrans-68.1-28.8174.743.70000113.3L655 Y656 F660 L661 T662L655-S658 PolarHBondContact O-OG 3.15Å; Y656-S658 VanDerWaalsContact C-N 3.34Å; S658-F660 VanDerWaalsContact C-N 3.31Å; S658-F660 PolarHBondContact O-N 3.31Å; S658-L661 PolarHBondContact O-N 2.92Å; S658-L661 VanDerWaalsContact O-N 3.12Å; S658-T662 PolarHBondContact O-N 3.34Å; S658-T662 PolarHBondContact O-OG1 3.12Å; S658-T662 VanDerWaalsContact O-OG1 3.1Å
659A42.4Very low44.8Very low55 Ų55120.9 Ų120.946%0.45569%0.685SS.*Hα-helixtrans-62.9-33.3-17400000113.8Y656 F657 T662Y656-A659 PolarHBondContact O-N 2.96Å; F657-A659 VanDerWaalsContact C-N 3.33Å; A659-T662 PolarHBondContact O-OG1 3.34Å
660F44.8Very low44.4Very low175 Ų175123.2 Ų123.277%0.76869%0.692SS**Hα-helixtrans-76.9-28.5176.6-80.5-86.2000113.1S658S658-F660 VanDerWaalsContact C-N 3.31Å; S658-F660 PolarHBondContact O-N 3.31Å
661L42.7Very low43.7Very low109 Ų109120.7 Ų120.757%0.57169%0.694SS**Hα-helixtrans-85.5-34.4178.5-65.3176.8000112.5S658 N663 I664 A665S658-L661 PolarHBondContact O-N 2.92Å; S658-L661 VanDerWaalsContact O-N 3.12Å; L661-N663 PolarHBondContact O-N 3.34Å; L661-I664 PolarHBondContact O-N 3.01Å; L661-I664 VanDerWaalsContact O-N 3.1Å; L661-A665 PolarHBondContact O-N 3.33Å
662T44.2Very low43.2Very low82 Ų82121.5 Ų121.550%0.50368%0.683SS.*Hα-helixtrans-62.1-30.417643.90000113S658 A659 I664 A665 V666S658-T662 PolarHBondContact O-N 3.34Å; S658-T662 PolarHBondContact O-OG1 3.12Å; S658-T662 VanDerWaalsContact O-OG1 3.1Å; A659-T662 PolarHBondContact O-OG1 3.34Å; T662-I664 PolarHBondContact O-N 3.01Å; T662-A665 PolarHBondContact O-N 2.93Å; T662-V666 WeakPolarHBondContact O-CG2 3.2Å
663N42.5Very low42.7Very low143 Ų143124.6 Ų124.677%0.76569%0.693SS**THydrogen-bonded Turntrans-72.7-13.8178.5-153.928.8000113.3L661L661-N663 PolarHBondContact O-N 3.34Å
664I48.3Very low41.7Very low131 Ų131124.3 Ų124.367%0.67269%0.694SS**THydrogen-bonded Turntrans-92.3-28173-57.8176000110.4L661 T662 V666L661-I664 PolarHBondContact O-N 3.01Å; L661-I664 VanDerWaalsContact O-N 3.1Å; T662-I664 PolarHBondContact O-N 3.01Å; I664-V666 PolarHBondContact O-N 2.67Å
665A43.9Very low41.3Very low75 Ų75126.3 Ų126.362%0.6271%0.706SS**THydrogen-bonded Turntrans-84.72.5-17600000115.6L661 T662L661-A665 PolarHBondContact O-N 3.33Å; T662-A665 PolarHBondContact O-N 2.93Å
666V41.7Very low40.4Very low121 Ų121125 Ų12573%0.73371%0.705SS**THydrogen-bonded Turntrans-107.327.1179-173.80000111.6T662 I664T662-V666 WeakPolarHBondContact O-CG2 3.2Å; I664-V666 PolarHBondContact O-N 2.67Å
667S34.7Very low40Very low108 Ų108121.3 Ų121.376%0.75571%0.705SS**SBendtrans-110.4110.9154.4-158.70000107.2
668N37.2Very low40.2Very low146 Ų146124 Ų12478%0.78172%0.717SS**  trans-74.2129.8-166-64.3-14.6000112.3
669Q37Very low39.5Very low183 Ų183127.9 Ų127.986%0.85574%0.738SS**  -164.4149.1126.4-97.2-64.419.500108.7
670I38.6Very low38.9Very low159 Ų159129.7 Ų129.782%0.81575%0.753SS**  trans-106.6113.6-173.8-61.4169.9000110.5
671L34.8Very low38.7Very low164 Ų164127.8 Ų127.886%0.85976%0.755SS**  trans-149.3132.8163.6-96.2167.1000109.3
672P41.4Very low38.2Very low109 Ų109134 Ų13471%0.70877%0.771SS**PPolyproline II helixtrans-78.5135.8176.831.1-32.7000111.1
673P36.9Very low37.6Very low116 Ų116134.3 Ų134.375%0.75378%0.777SS**PPolyproline II helixtrans-67.9146.2170.429.1-33.8000110.8
674P32.2Very low37.1Very low127 Ų127136 Ų13683%0.82579%0.785SS**PPolyproline II helixtrans-69.9159.3-176.429.3-35.8000112.9
675A39.2Very low36.7Very low86 Ų86137.2 Ų137.271%0.71179%0.792SS**  trans-82.4174.3-179.200000113.6
676T31.6Very low36.1Very low134 Ų134145.3 Ų145.382%0.82281%0.807SS**  trans89.9154.9179.175.80000116.1
677P37.6Very low35.5Very low119 Ų119144.3 Ų144.377%0.77381%0.805SS**  -127.5166.9-50.136.2-24.3000112.8
678K44.6Very low35.4Very low199 Ų199145.4 Ų145.487%0.86581%0.807SS**  trans-91.4118.1175.7-60.8174.4-177.7175.20111.4
679T34.2Very low35Very low144 Ų144144.4 Ų144.488%0.88381%0.812SS**  trans-175.3163.5143.417.50000115.2
680A29.4Very low35Very low93 Ų93141.3 Ų141.377%0.76981%0.81SS**  trans74.3103.5148.100000121.1
681T39.1Very low35.1Very low135 Ų135142.6 Ų142.683%0.82881%0.813SS**  trans-47.1127.7150.347.10000116.2
682R34Very low35.3Very low239 Ų239142.6 Ų142.690%0.90281%0.812SS**  177.4122.6125.2-101.3-175.5163178.8-5.1108.9
683S31.2Very low35.2Very low89 Ų89143.5 Ų143.562%0.62282%0.816SS**  74.2106.279.1-170.10000113.9
684L30.6Very low35.2Very low180 Ų180142.9 Ų142.994%0.94281%0.812SS**  trans-125.9105.2152.9-74.5177.9000108.1
685L40.5Very low35.6Very low155 Ų155142.2 Ų142.281%0.81281%0.807SS**  trans-126.1131.4166.2-77.4177.6000108.7
686R31.5Very low35.6Very low246 Ų246144.7 Ų144.793%0.92881%0.813SS**  trans176.4132.8163-100.3165.2-161169.74.8104.8
687S28.9Very low35.9Very low100 Ų100145.5 Ų145.570%0.69981%0.812SS**  cis-154.5165.115.2-750000108.5
688T32.8Very low36Very low131 Ų131144.8 Ų144.880%0.80481%0.807SS**  cis-164.9119.6-13.923.20000108
689S29.4Very low35.9Very low125 Ų125142.8 Ų142.887%0.87481%0.805SS**  trans-157.5154.9152.8570000108.4
690S36.3Very low36.2Very low117 Ų117142.6 Ų142.682%0.81880%0.797SS**  trans-107.1158.9-168.9-60.70000112.6
691E40.9Very low36.8Very low186 Ų186143.5 Ų143.587%0.86979%0.793SS**  trans68.978.4143.3-160.6156.9-122.100118
692I38.2Very low36.9Very low164 Ų164143 Ų14384%0.84179%0.786SS**  trans-152.8129.6132.1-97.9144.3000108
693T39.6Very low37.4Very low129 Ų129136.6 Ų136.679%0.79178%0.784SS**PPolyproline II helixtrans-75.7122178.1-540000109.8
694P37.3Very low38.2Very low103 Ų103137.4 Ų137.467%0.66979%0.785SS**PPolyproline II helixtrans-65.8129.3172.227.5-33000109.2V696P694-V696 PolarHBondContact O-N 2.76Å
695P41.1Very low39Very low112 Ų112134.3 Ų134.373%0.72778%0.776SS**PPolyproline II helixtrans-66.3133.2-177.326.5-33.9000110.7L697P695-L697 PolarHBondContact O-N 3.05Å
696V38.5Very low39.8Very low139 Ų139131.5 Ų131.584%0.84277%0.765SS**  trans-66.4105.9173178.50000108.3P694P694-V696 PolarHBondContact O-N 2.76Å
697L37.7Very low40.9Very low150 Ų150122.5 Ų122.579%0.78574%0.739SS**  trans-64.8128.8172.3-68.5177.2000109.2P695P695-L697 PolarHBondContact O-N 3.05Å
698P39.6Very low42.5Very low105 Ų105124.5 Ų124.568%0.68274%0.741SS**  trans-57.6146.2177.4-26.535.3000112.4I700P698-I700 WeakPolarHBondContact O-CG1 3.31Å; P698-I700 PolarHBondContact O-N 2.99Å
699L42.8Very low44.8Very low157 Ų157124.5 Ų124.582%0.82273%0.732SS**  trans-69.293.3171.9-176.172.6000109.1T701L699-T701 HydrophobicContact CD2-CG2 4.16Å; L699-T701 HydrophobicContact CG-CG2 4.19Å; L699-T701 PolarHBondContact O-N 3.21Å
700I40.9Very low47.3Very low139 Ų139124.6 Ų124.671%0.71373%0.73SS**  trans-71.692.3-179.8-47.4179.8000109.1P698 D702P698-I700 WeakPolarHBondContact O-CG1 3.31Å; P698-I700 PolarHBondContact O-N 2.99Å; I700-D702 VanDerWaalsContact C-N 3.31Å
701T42.5Very low49.5Very low112 Ų112127.4 Ų127.469%0.68772%0.722SS**  trans-80.1-13174.845.90000113.5L699L699-T701 HydrophobicContact CD2-CG2 4.16Å; L699-T701 HydrophobicContact CG-CG2 4.19Å; L699-T701 PolarHBondContact O-N 3.21Å
702D40.7Very low51.9Low126 Ų126126 Ų12667%0.67472%0.719SS**SBendtrans-83.3129.5-175.5-67.4-32.5000112.3I700 T704I700-D702 VanDerWaalsContact C-N 3.31Å; D702-T704 PolarHBondContact O-N 2.97Å
703A45Very low54.3Low104 Ų104122.8 Ų122.886%0.8670%0.704SS**  trans-72.761.5-175.500000113P705A703-P705 WeakPolarHBondContact O-CD 3.42Å
704T47.3Very low56.8Low106 Ų106123 Ų12365%0.6570%0.699SS**  trans-59.5120.3167.5-55.30000107.8D702 V706D702-T704 PolarHBondContact O-N 2.97Å; T704-V706 PolarHBondContact O-N 3.46Å
705P48.3Very low59.3Low115 Ų115119 Ų11975%0.74768%0.676SS**  trans-65.3114.2-177.725.2-32.9000109.2A703 C707A703-P705 WeakPolarHBondContact O-CD 3.42Å; P705-C707 PolarHBondContact O-N 3.27Å
706V55.9Low61.7Low96 Ų96123.1 Ų123.158%0.58269%0.685SS**  trans-57.1112.1172.8177.80000107.2T704 L708T704-V706 PolarHBondContact O-N 3.46Å; V706-L708 PolarHBondContact O-N 3.33Å
707C54.1Low64.1Low56 Ų56124 Ų12438%0.37868%0.681SS.*  trans-69105.8-173.3-165.80000109P705 E709 R711P705-C707 PolarHBondContact O-N 3.27Å; C707-E709 PolarHBondContact O-N 3.27Å; C707-E709 VanDerWaalsContact SG-CB 3.6Å; C707-R711 PolarHBondContact SG-NE 3.42Å; C707-R711 PolarHBondContact SG-NH2 3.28Å
708L64.3Low66.6Low143 Ų143123 Ų12375%0.74967%0.667SS**  trans-70.9-3.3178.3-64.6175.4000113.2P648 V706P648-L708 HydrophobicContact CG-CD2 3.82Å; V706-L708 PolarHBondContact O-N 3.33Å
709E79.5Confident69.2Low130 Ų130122.8 Ų122.861%0.60766%0.657SS**SBendtrans-72129.1173.1-169.3174.4-148.600109.8C707 R711C707-E709 PolarHBondContact O-N 3.27Å; C707-E709 VanDerWaalsContact SG-CB 3.6Å; E709-R711 PolarHBondContact O-N 3.27Å
710P82.6Confident71.6Confident128 Ų128119.5 Ų119.583%0.83165%0.652SS**  trans-67.5109.1-18027.1-33.7000110.5
711R82.2Confident74.1Confident176 Ų176121.9 Ų121.966%0.66466%0.66SS**PPolyproline II helixtrans-95.2148.4179.9-70.6174.1176.8-148.9-7.5111.6C707 E709 N713C707-R711 PolarHBondContact SG-NE 3.42Å; C707-R711 PolarHBondContact SG-NH2 3.28Å; E709-R711 PolarHBondContact O-N 3.27Å; R711-N713 PolarHBondContact O-N 3.07Å
712I90.9Very high76.3Confident157 Ų157123.7 Ų123.781%0.80566%0.664SS**PPolyproline II helixtrans-75.8120.6170.7-59175.1000107.8I714I712-I714 HydrophobicContact CG2-CG1 4.37Å
713N89.9Confident78.5Confident95 Ų95123 Ų12351%0.50867%0.667SS.*PPolyproline II helixtrans-77.3136.4174-68-24.1000109.9R711 Y718R711-N713 PolarHBondContact O-N 3.07Å; N713-Y718 HydrophobicContact CB-CD1 3.73Å; N713-Y718 HydrophobicContact CB-CD2 3.61Å; N713-Y718 HydrophobicContact CB-CE1 3.81Å; N713-Y718 HydrophobicContact CB-CE2 3.69Å; N713-Y718 HydrophobicContact CB-CG 3.63Å
714I92Very high80.6Confident135 Ų135125.3 Ų125.369%0.69267%0.665SS**  trans-127.7126.6-177.4-58.1178.7000109.6I712I712-I714 HydrophobicContact CG2-CG1 4.37Å
715G90.1Very high82.3Confident19 Ų19128.7 Ų128.720%0.19668%0.678CS.*SBendtrans159.8169.2176.400000112Q717 Y718 Q719G715-Q717 PolarHBondContact O-N 3.41Å; G715-Q717 VanDerWaalsContact O-N 3.11Å; G715-Y718 PolarHBondContact O-N 2.83Å; G715-Q719 PolarHBondContact O-N 3.41Å; G715-Q719 PolarHBondContact O-OE1 3.04Å; G715-Q719 VanDerWaalsContact O-OE1 3.08Å
716Q90.4Very high84Confident197 Ų197129.8 Ų129.892%0.92167%0.673SS**THydrogen-bonded Turntrans-59.1-24.7179.8-70.3170.5-22.300113.6Y718Q716-Y718 VanDerWaalsContact C-N 3.26Å; Q716-Y718 PolarHBondContact O-N 3.39Å
717Q89.2Confident85.3Confident158 Ų158131 Ų13174%0.73868%0.676SS**THydrogen-bonded Turntrans-79.20.8173.871.1-147.8-48.100114.6G715G715-Q717 PolarHBondContact O-N 3.41Å; G715-Q717 VanDerWaalsContact O-N 3.11Å
718Y91.4Very high86.3Confident129 Ų129135.4 Ų135.451%0.50669%0.691SS.*THydrogen-bonded Turntrans-132.9-34.1-176.5-58.9-63.7000113.4N713 G715 Q716N713-Y718 HydrophobicContact CB-CD1 3.73Å; N713-Y718 HydrophobicContact CB-CD2 3.61Å; N713-Y718 HydrophobicContact CB-CE1 3.81Å; N713-Y718 HydrophobicContact CB-CE2 3.69Å; N713-Y718 HydrophobicContact CB-CG 3.63Å; G715-Y718 PolarHBondContact O-N 2.83Å; Q716-Y718 VanDerWaalsContact C-N 3.26Å; Q716-Y718 PolarHBondContact O-N 3.39Å
719Q94.1Very high86.9Confident101 Ų101132.8 Ų132.847%0.47268%0.683SS.*SBendtrans-79.2145168.3-7591.8-91.100110.8G715G715-Q719 PolarHBondContact O-N 3.41Å; G715-Q719 PolarHBondContact O-OE1 3.04Å; G715-Q719 VanDerWaalsContact O-OE1 3.08Å
720A93.1Very high86.5Confident87 Ų87129.4 Ų129.472%0.71967%0.673SS**PPolyproline II helixtrans-67.7141.9166.300000110.5I722A720-I722 PolarHBondContact O-N 3.32Å
721E92.1Very high85.9Confident189 Ų189126.6 Ų126.688%0.88366%0.657SS**PPolyproline II helixtrans-64.7126.7161-173.5168.1-157.700108.3P723E721-P723 WeakPolarHBondContact O-CD 3.07Å
722I90.2Very high85.4Confident150 Ų150125.4 Ų125.477%0.76966%0.659SS**  trans-96.7115.4-178.7-59176.8000107A720A720-I722 PolarHBondContact O-N 3.32Å
723P86.9Confident84.5Confident111 Ų111125.5 Ų125.572%0.72166%0.658SS**  trans-64.2145.3177.8-21.533.7000111.9E721E721-P723 WeakPolarHBondContact O-CD 3.07Å
724D87.3Confident83.9Confident153 Ų153126.8 Ų126.882%0.81867%0.665SS**  trans-60.9148.4171.3-72.3-51.5000111.7Q726D724-Q726 PolarHBondContact O-N 2.99Å; D724-Q726 VanDerWaalsContact O-N 3.1Å
725L84.8Confident83.4Confident178 Ų178128.4 Ų128.493%0.93267%0.669SS**  trans-69.9106.9-179.3-177.466.8000110.4
726Q83.6Confident82.9Confident137 Ų137135.4 Ų135.464%0.6470%0.697SS**  trans-75.2147.3178.6-62-170.216.700112.9D724D724-Q726 PolarHBondContact O-N 2.99Å; D724-Q726 VanDerWaalsContact O-N 3.1Å
727D83.4Confident82.7Confident122 Ų122135.5 Ų135.565%0.65269%0.694SS**  trans-67.1149.7172.9-77.5-53.8000112.6P729 S730 S731D727-P729 HydrophobicContact CB-CG 4.4Å; D727-S730 WeakPolarHBondContact O-CB 3.21Å; D727-S730 PolarHBondContact O-N 3.21Å; D727-S731 PolarHBondContact O-N 2.93Å
728Q74.8Confident82.5Confident149 Ų149130.9 Ų130.970%0.69668%0.683SS**Hα-helixtrans-53.7-42.3-175.9-162.3169.27.800115.7S730 S731 Q732Q728-S730 VanDerWaalsContact C-N 3.3Å; Q728-S730 PolarHBondContact O-N 2.8Å; Q728-S731 PolarHBondContact O-N 3.46Å; Q728-S731 PolarHBondContact O-OG 3.29Å; Q728-Q732 PolarHBondContact O-N 3.2Å
729P76.4Confident82Confident87 Ų87129 Ų12957%0.56568%0.682SS**Hα-helixtrans-62.6-32.4173.924.1-35.8000113.7D727 S731 Q732D727-P729 HydrophobicContact CB-CG 4.4Å; P729-S731 VanDerWaalsContact C-N 3.33Å; P729-Q732 PolarHBondContact O-N 3.04Å
730S71.9Confident81.6Confident59 Ų59129.5 Ų129.541%0.41369%0.687SS.*Hα-helixtrans-65.5-39.7174.9-53.60000110.9D727 Q728 Q732 M733D727-S730 WeakPolarHBondContact O-CB 3.21Å; D727-S730 PolarHBondContact O-N 3.21Å; Q728-S730 VanDerWaalsContact C-N 3.3Å; Q728-S730 PolarHBondContact O-N 2.8Å; S730-Q732 PolarHBondContact O-N 3Å; S730-M733 PolarHBondContact O-N 3.27Å
731S70.1Confident81.1Confident69 Ų69128.5 Ų128.548%0.48367%0.672SS.*Hα-helixtrans-66.2-17.1174.874.40000114.6D727 Q728 P729D727-S731 PolarHBondContact O-N 2.93Å; Q728-S731 PolarHBondContact O-N 3.46Å; Q728-S731 PolarHBondContact O-OG 3.29Å; P729-S731 VanDerWaalsContact C-N 3.33Å
732Q70.4Confident80.9Confident152 Ų152124 Ų12471%0.7165%0.647SS**THydrogen-bonded Turntrans-84-13.2173.2-68.9-179.6-2300113.2Q728 P729 S730Q728-Q732 PolarHBondContact O-N 3.2Å; P729-Q732 PolarHBondContact O-N 3.04Å; S730-Q732 PolarHBondContact O-N 3Å
733M71.9Confident80.5Confident158 Ų158121.6 Ų121.678%0.77863%0.632SS**THydrogen-bonded Turntrans-90.7-12.6172.4-67.5-101.764.400112.6S730 Q735S730-M733 PolarHBondContact O-N 3.27Å; M733-Q735 PolarHBondContact O-N 2.89Å
734D78.5Confident80.3Confident122 Ų122120.6 Ų120.665%0.65263%0.626SS**SBendtrans-71.6120.3176.7-169.424.6000110.4H736D734-H736 PolarHBondContact O-N 3.3Å
735Q80.7Confident79.6Confident169 Ų169116.5 Ų116.579%0.7960%0.603SS**  trans-78.9113.6-178.3-71.1-175.4-9.100109.8M733 K737M733-Q735 PolarHBondContact O-N 2.89Å; Q735-K737 PolarHBondContact O-N 3.4Å; Q735-K737 VanDerWaalsContact O-N 3.15Å
736H80.5Confident78.4Confident167 Ų167114.1 Ų114.177%0.77359%0.591SS**  trans-60.6117.7179.7-167.9-102.8000111.1D734 A738D734-H736 PolarHBondContact O-N 3.3Å; H736-A738 PolarHBondContact ND1-O 2.92Å; H736-A738 PolarHBondContact O-N 3.1Å
737K85.1Confident77.1Confident199 Ų199114.1 Ų114.187%0.86560%0.596SS**SBendtrans-78.822.9-170.7-58179.7-177.4172.30114.6Q735Q735-K737 PolarHBondContact O-N 3.4Å; Q735-K737 VanDerWaalsContact O-N 3.15Å
738A84.7Confident75.9Confident61 Ų61113 Ų11350%0.50460%0.598SS.*SBendtrans-141.3134.6179.600000111H736H736-A738 PolarHBondContact ND1-O 2.92Å; H736-A738 PolarHBondContact O-N 3.1Å
739D82.2Confident75Confident90 Ų90113 Ų11348%0.48160%0.603SS.*  trans-76.9146-177-61-78.2000113.3V741 H810 L811D739-V741 PolarHBondContact O-N 3.2Å; D739-H810 WeakPolarHBondContact CB-ND1 3.36Å; D739-H810 VanDerWaalsContact CG-ND1 3.26Å; D739-H810 IonicContact OD1-CE1 3.65Å; D739-H810 IonicContact OD1-CG 3.68Å; D739-H810 IonicContact OD1-ND1 2.73Å; D739-H810 PolarHBondContact OD1-ND1 2.95Å; D739-L811 HydrophobicContact CB-CD1 4.46Å
740L84.6Confident74.2Confident110 Ų110112.4 Ų112.458%0.57659%0.592SS**  trans-84.498.7175.7-177.966.1000110.4W742 H785L740-W742 WeakPolarHBondContact CD1-O 3.34Å; L740-H785 PolarHBondContact O-CE1 3.04Å
741V83.9Confident74Confident66 Ų66116.4 Ų116.440%0.460%0.602SS.*  trans-92.8-14.6179.7-62.80000114.8D739 H785 L811D739-V741 PolarHBondContact O-N 3.2Å; V741-H785 PolarHBondContact O-ND1 3.3Å; V741-L811 HydrophobicContact CG1-CD1 3.31Å
742W86.2Confident73.8Confident95 Ų95119.8 Ų119.836%0.3661%0.61SS.*  trans-159.5135.4-179.1-178.3-95.3000110.5L740 L781 L784 H785L740-W742 WeakPolarHBondContact CD1-O 3.34Å; W742-L781 HydrophobicContact CE3-CB 4.15Å; W742-L781 HydrophobicContact CH2-CD2 4.01Å; W742-L781 HydrophobicContact CZ3-CB 4.12Å; W742-L781 HydrophobicContact CZ3-CD2 3.89Å; W742-L781 WeakPolarHBondContact CZ3-O 3.41Å; W742-L784 HydrophobicContact CH2-CD2 4.26Å; W742-L784 HydrophobicContact CZ3-CB 4.5Å; W742-L784 HydrophobicContact CZ3-CD2 4.32Å; W742-H785 HydrophobicContact CE3-CB 3.89Å; W742-H785 HydrophobicContact CZ3-CB 4.29Å
743H83.5Confident73.5Confident100 Ų100115.3 Ų115.346%0.46360%0.596SS.*  trans-116.8126.2171.6-171.3-72.2000109.6L745 H785H743-L745 PolarHBondContact O-N 2.95Å; H743-H785 PolarHBondContact N-CD2 2.89Å; H743-H785 VanDerWaalsContact N-CD2 3.29Å; H743-H785 PolarHBondContact N-NE2 2.95Å
744P80.8Confident73.7Confident90 Ų90110.4 Ų110.458%0.58457%0.573SS**  trans-60.9122.5173-21.933.6000111.2
745L72.8Confident73.8Confident67 Ų67111.3 Ų111.335%0.35157%0.573SS.*  trans-56.6138.8173-87.3157.9000110.8H743 N747 D789H743-L745 PolarHBondContact O-N 2.95Å; L745-N747 PolarHBondContact O-N 2.88Å; L745-N747 PolarHBondContact O-OD1 3.39Å; L745-D789 WeakPolarHBondContact CD2-OD2 3.47Å
746N59.7Low74Confident127 Ų127107.6 Ų107.668%0.67956%0.556SS**  trans-81.1113.5172.1-85.6-44.9000109.2S748N746-S748 PolarHBondContact O-N 2.94Å
747N57Low74.3Confident137 Ų137103 Ų10373%0.73354%0.54SS*.THydrogen-bonded Turntrans-6114-175.5-59.3-2.8000115.9L745 N749L745-N747 PolarHBondContact O-N 2.88Å; L745-N747 PolarHBondContact O-OD1 3.39Å; N747-N749 VanDerWaalsContact C-N 3.33Å; N747-N749 PolarHBondContact O-N 2.94Å
748S58.5Low74.4Confident100 Ų10095.6 Ų95.670%0.69951%0.509SS*.THydrogen-bonded Turntrans-68.3-26.7-175.4-49.80000114.2N746N746-S748 PolarHBondContact O-N 2.94Å
749N54.7Low74.6Confident149 Ų14998.6 Ų98.680%0.79751%0.513SS*.SBendtrans-129.5-3.1-173-69.2-46.8000114.3N747 K751N747-N749 VanDerWaalsContact C-N 3.33Å; N747-N749 PolarHBondContact O-N 2.94Å; N749-K751 PolarHBondContact O-N 2.93Å
750Q61Low74.9Confident73 Ų73100.6 Ų100.634%0.34152%0.519SS..  trans-75.7128-169.2-162.1161.110.300111D754Q750-D754 HydrophobicContact CG-CB 3.88Å
751K66.3Low75.2Confident143 Ų14395.6 Ų95.662%0.62249%0.492SS*.  trans-90.8156.6176.7-59.2162.3-171.5159.40109.1N749 S753 D754N749-K751 PolarHBondContact O-N 2.93Å; K751-S753 VanDerWaalsContact CB-OG 3.28Å; K751-S753 WeakPolarHBondContact CB-OG 3.45Å; K751-S753 PolarHBondContact O-N 3.42Å; K751-D754 WeakPolarHBondContact CB-OD2 3.34Å; K751-D754 PolarHBondContact N-OD2 3.49Å; K751-D754 WeakPolarHBondContact O-CB 3.47Å; K751-D754 PolarHBondContact O-N 3.24Å
752Q66.8Low75.4Confident140 Ų14094.2 Ų94.265%0.65448%0.482SS*.Hα-helixtrans-58.2-30.2175.3-169.2-176.6-31.400112.7D754 E755 E756Q752-D754 PolarHBondContact O-N 3.11Å; Q752-E755 PolarHBondContact O-N 3.06Å; Q752-E756 PolarHBondContact NE2-OE1 3.2Å; Q752-E756 WeakPolarHBondContact O-CG 3.21Å; Q752-E756 PolarHBondContact O-N 3.25Å; Q752-E756 VanDerWaalsContact O-N 3.11Å
753S63.8Low75.6Confident59 Ų5994.2 Ų94.241%0.41349%0.489SS..Hα-helixtrans-56-31.4171.446.40000113.6K751 T757K751-S753 VanDerWaalsContact CB-OG 3.28Å; K751-S753 WeakPolarHBondContact CB-OG 3.45Å; K751-S753 PolarHBondContact O-N 3.42Å; S753-T757 WeakPolarHBondContact O-CB 3.49Å; S753-T757 PolarHBondContact O-N 3.17Å; S753-T757 PolarHBondContact O-OG1 3.42Å
754D75.6Confident75.9Confident55 Ų5592.3 Ų92.329%0.29448%0.482SS..Hα-helixtrans-85.5-37.5-168.4-42.6-18.6000109.1Q750 K751 Q752 T757 I758Q750-D754 HydrophobicContact CG-CB 3.88Å; K751-D754 WeakPolarHBondContact CB-OD2 3.34Å; K751-D754 PolarHBondContact N-OD2 3.49Å; K751-D754 WeakPolarHBondContact O-CB 3.47Å; K751-D754 PolarHBondContact O-N 3.24Å; Q752-D754 PolarHBondContact O-N 3.11Å; D754-T757 PolarHBondContact O-N 3.39Å; D754-I758 VanDerWaalsContact O-CG1 3.3Å; D754-I758 WeakPolarHBondContact O-CG1 3.32Å; D754-I758 PolarHBondContact O-N 3.46Å
755E81.3Confident76.3Confident141 Ų14188 Ų8866%0.65945%0.454SS*.Hα-helixtrans-61-48.4167.4-176175.7-165.600111.2Q752 T757 I758 E759Q752-E755 PolarHBondContact O-N 3.06Å; E755-T757 VanDerWaalsContact C-N 3.31Å; E755-T757 PolarHBondContact O-N 2.92Å; E755-I758 PolarHBondContact O-N 3.09Å; E755-E759 PolarHBondContact O-N 3.39Å
756E85.6Confident77Confident91 Ų9187.5 Ų87.543%0.42546%0.455SS..Hα-helixtrans-59.8-39.6175-72.4174.4-160.700111.5Q752 E759 H760Q752-E756 PolarHBondContact NE2-OE1 3.2Å; Q752-E756 WeakPolarHBondContact O-CG 3.21Å; Q752-E756 PolarHBondContact O-N 3.25Å; Q752-E756 VanDerWaalsContact O-N 3.11Å; E756-E759 PolarHBondContact O-N 3.07Å; E756-H760 PolarHBondContact O-N 2.75Å; E756-H760 PolarHBondContact O-ND1 2.89Å
757T86.7Confident78.3Confident70 Ų7083.1 Ų83.143%0.42944%0.435SS..Hα-helixtrans-69.5-36.9179.1-53.40000111.9S753 D754 E755 H760 F761 I791S753-T757 WeakPolarHBondContact O-CB 3.49Å; S753-T757 PolarHBondContact O-N 3.17Å; S753-T757 PolarHBondContact O-OG1 3.42Å; D754-T757 PolarHBondContact O-N 3.39Å; E755-T757 VanDerWaalsContact C-N 3.31Å; E755-T757 PolarHBondContact O-N 2.92Å; T757-H760 PolarHBondContact O-N 2.88Å; T757-F761 PolarHBondContact O-N 3.33Å; T757-I791 HydrophobicContact CG2-CD1 3.64Å
758I86.4Confident79.5Confident44 Ų4482.3 Ų82.323%0.22644%0.44CS..Hα-helixtrans-65.4-39.7172.3-68164.1000110.8D754 E755 H760 F761 M762 I791D754-I758 VanDerWaalsContact O-CG1 3.3Å; D754-I758 WeakPolarHBondContact O-CG1 3.32Å; D754-I758 PolarHBondContact O-N 3.46Å; E755-I758 PolarHBondContact O-N 3.09Å; I758-H760 VanDerWaalsContact C-N 3.34Å; I758-H760 PolarHBondContact O-N 3.47Å; I758-F761 PolarHBondContact O-N 3.31Å; I758-M762 HydrophobicContact CG2-CG 4.44Å; I758-M762 WeakPolarHBondContact O-CG 3.32Å; I758-M762 PolarHBondContact O-N 3.2Å; I758-I791 HydrophobicContact CG1-CD1 4.34Å
759E88.7Confident80.6Confident124 Ų12480.9 Ų80.958%0.57943%0.427SS*.Hα-helixtrans-62.2-41.2174-166.7-174.4178.800111.5E755 E756 M762 N763E755-E759 PolarHBondContact O-N 3.39Å; E756-E759 PolarHBondContact O-N 3.07Å; E759-M762 PolarHBondContact O-N 3.49Å; E759-N763 WeakPolarHBondContact O-CB 3.38Å; E759-N763 PolarHBondContact O-N 3.43Å; E759-N763 PolarHBondContact O-ND2 2.99Å
760H90Very high81.8Confident132 Ų13274.5 Ų74.561%0.61139%0.392SS*.Hα-helixtrans-64.5-40174.4-74.883.6000112.2E756 T757 I758 N763 L764E756-H760 PolarHBondContact O-N 2.75Å; E756-H760 PolarHBondContact O-ND1 2.89Å; T757-H760 PolarHBondContact O-N 2.88Å; I758-H760 VanDerWaalsContact C-N 3.34Å; I758-H760 PolarHBondContact O-N 3.47Å; H760-N763 PolarHBondContact O-N 2.9Å; H760-L764 WeakPolarHBondContact O-CB 3.32Å; H760-L764 PolarHBondContact O-N 3.23Å
761F89.3Confident82.3Confident5 Ų573.1 Ų73.12%0.02239%0.39CS..Hα-helixtrans-62.8-43.1173.7173.4-104000112.1T757 I758 L764 A765 A780 L784 I791 T794 L795 L798T757-F761 PolarHBondContact O-N 3.33Å; I758-F761 PolarHBondContact O-N 3.31Å; F761-L764 WeakPolarHBondContact O-CB 3.45Å; F761-L764 PolarHBondContact O-N 2.95Å; F761-A765 PolarHBondContact O-N 3.31Å; F761-A780 HydrophobicContact CE1-CB 4.03Å; F761-A780 HydrophobicContact CZ-CB 3.94Å; F761-L784 HydrophobicContact CD1-CD2 4.26Å; F761-L784 HydrophobicContact CE1-CB 4.3Å; F761-L784 HydrophobicContact CE1-CD2 4.13Å; F761-I791 HydrophobicContact CB-CD1 4.47Å; F761-I791 HydrophobicContact CB-CG2 4.28Å; F761-I791 HydrophobicContact CD2-CG2 3.8Å; F761-I791 HydrophobicContact CE2-CG2 4.5Å; F761-I791 HydrophobicContact CG-CG2 4.24Å; F761-T794 HydrophobicContact CE2-CG2 3.92Å; F761-T794 HydrophobicContact CZ-CG2 3.55Å; F761-L795 HydrophobicContact CD2-CD2 4.04Å; F761-L795 HydrophobicContact CD2-CG 4.41Å; F761-L795 HydrophobicContact CE2-CD2 3.87Å; F761-L795 HydrophobicContact CE2-CG 4.29Å; F761-L798 HydrophobicContact CE2-CD1 4.24Å; F761-L798 HydrophobicContact CZ-CD1 4.01Å
762M89.6Confident82.6Confident37 Ų3767.7 Ų67.718%0.18238%0.375CS..Hα-helixtrans-68.5-34.4176.8-68-52-6100112.7I758 E759 A765 C766 Q777 L781I758-M762 HydrophobicContact CG2-CG 4.44Å; I758-M762 WeakPolarHBondContact O-CG 3.32Å; I758-M762 PolarHBondContact O-N 3.2Å; E759-M762 PolarHBondContact O-N 3.49Å; M762-A765 PolarHBondContact O-N 3.12Å; M762-C766 PolarHBondContact O-N 3.35Å; M762-C766 VanDerWaalsContact O-N 3.07Å; M762-C766 PolarHBondContact O-SG 3.03Å; M762-Q777 HydrophobicContact CE-CB 3.85Å; M762-Q777 HydrophobicContact CE-CG 4.03Å; M762-L781 HydrophobicContact CE-CD1 4.1Å; M762-L781 HydrophobicContact CE-CD2 4.26Å; M762-L781 HydrophobicContact CE-CG 3.97Å; M762-L781 HydrophobicContact SD-CD2 3.63Å; M762-L781 HydrophobicContact SD-CG 3.88Å
763N90.1Very high82.8Confident94 Ų9462.8 Ų62.850%0.50336%0.362SS..Hα-helixtrans-66.4-38.3170.9-79.9-62.3000112E759 H760 C766 S767E759-N763 WeakPolarHBondContact O-CB 3.38Å; E759-N763 PolarHBondContact O-N 3.43Å; E759-N763 PolarHBondContact O-ND2 2.99Å; H760-N763 PolarHBondContact O-N 2.9Å; N763-C766 WeakPolarHBondContact O-CB 3.11Å; N763-C766 PolarHBondContact O-N 3.39Å; N763-C766 VanDerWaalsContact O-N 3.13Å; N763-S767 PolarHBondContact O-N 3.24Å
764L89.6Confident83.4Confident60 Ų6060.9 Ų60.931%0.31435%0.352SS..Hα-helixtrans-64.5-39.1172.1-178.461.1000111.4H760 F761 C766 S767 V769 F770 L795H760-L764 WeakPolarHBondContact O-CB 3.32Å; H760-L764 PolarHBondContact O-N 3.23Å; F761-L764 WeakPolarHBondContact O-CB 3.45Å; F761-L764 PolarHBondContact O-N 2.95Å; L764-C766 PolarHBondContact O-N 3.47Å; L764-S767 VanDerWaalsContact O-CB 3.27Å; L764-S767 WeakPolarHBondContact O-CB 3.41Å; L764-S767 PolarHBondContact O-N 3.5Å; L764-S767 PolarHBondContact O-OG 2.91Å; L764-V769 HydrophobicContact CD1-CB 4.12Å; L764-V769 HydrophobicContact CD1-CG1 4.35Å; L764-V769 HydrophobicContact CD1-CG2 3.95Å; L764-F770 HydrophobicContact CG-CZ 4.3Å; L764-L795 HydrophobicContact CD2-CD1 4.36Å; L764-L795 HydrophobicContact CD2-CD2 3.66Å
765A88.8Confident83.6Confident1 Ų161.5 Ų61.51%0.00836%0.358CS..Hα-helixtrans-65.8-19.2172.100000114F761 M762 F770 G774 A780F761-A765 PolarHBondContact O-N 3.31Å; M762-A765 PolarHBondContact O-N 3.12Å; A765-F770 HydrophobicContact CB-CD2 3.96Å; A765-F770 HydrophobicContact CB-CE2 3.72Å; A765-G774 WeakPolarHBondContact O-CA 3.46Å; A765-G774 PolarHBondContact O-N 2.9Å; A765-G774 VanDerWaalsContact O-N 3.07Å; A765-A780 HydrophobicContact CB-CB 3.78Å
766C87.5Confident83.7Confident55 Ų5555 Ų5537%0.37233%0.327SS..THydrogen-bonded Turntrans-86.4-5.5170.3-63.10000113.9M762 N763 L764 Q777M762-C766 PolarHBondContact O-N 3.35Å; M762-C766 VanDerWaalsContact O-N 3.07Å; M762-C766 PolarHBondContact O-SG 3.03Å; N763-C766 WeakPolarHBondContact O-CB 3.11Å; N763-C766 PolarHBondContact O-N 3.39Å; N763-C766 VanDerWaalsContact O-N 3.13Å; L764-C766 PolarHBondContact O-N 3.47Å; C766-Q777 PolarHBondContact SG-NE2 3.41Å
767S86.8Confident83.9Confident35 Ų3554.6 Ų54.625%0.24533%0.326CS..SBendtrans-89.2168.1178.682.40000111.9N763 L764 V769 G773N763-S767 PolarHBondContact O-N 3.24Å; L764-S767 VanDerWaalsContact O-CB 3.27Å; L764-S767 WeakPolarHBondContact O-CB 3.41Å; L764-S767 PolarHBondContact O-N 3.5Å; L764-S767 PolarHBondContact O-OG 2.91Å; S767-V769 PolarHBondContact O-N 3.25Å; S767-V769 VanDerWaalsContact O-N 3.09Å; S767-V769 WeakPolarHBondContact OG-CB 3.44Å; S767-V769 VanDerWaalsContact OG-CG2 3.3Å; S767-V769 WeakPolarHBondContact OG-CG2 3.32Å; S767-V769 PolarHBondContact OG-N 3.2Å; S767-G773 WeakPolarHBondContact O-CA 3.26Å
768S81.9Confident83.9Confident120 Ų12056.7 Ų56.784%0.83933%0.331SS*.THydrogen-bonded Turntrans-7413.5174.2610000114.5
769V82.4Confident84Confident70 Ų7054.8 Ų54.842%0.42432%0.321SS..THydrogen-bonded Turntrans-74.8-31.9175.8175.50000111.2L764 S767 M799L764-V769 HydrophobicContact CD1-CB 4.12Å; L764-V769 HydrophobicContact CD1-CG1 4.35Å; L764-V769 HydrophobicContact CD1-CG2 3.95Å; S767-V769 PolarHBondContact O-N 3.25Å; S767-V769 VanDerWaalsContact O-N 3.09Å; S767-V769 WeakPolarHBondContact OG-CB 3.44Å; S767-V769 VanDerWaalsContact OG-CG2 3.3Å; S767-V769 WeakPolarHBondContact OG-CG2 3.32Å; S767-V769 PolarHBondContact OG-N 3.2Å; V769-M799 HydrophobicContact CG1-CE 3.54Å; V769-M799 HydrophobicContact CG1-CG 4.39Å; V769-M799 HydrophobicContact CG1-SD 3.7Å
770F79.9Confident84Confident15 Ų1549 Ų497%0.06629%0.294CS..SBendtrans-102.3161.4170.7-50.6-26.5000110.8L764 A765 L795 L798 M799L764-F770 HydrophobicContact CG-CZ 4.3Å; A765-F770 HydrophobicContact CB-CD2 3.96Å; A765-F770 HydrophobicContact CB-CE2 3.72Å; F770-L795 HydrophobicContact CE1-CD2 4.04Å; F770-L795 HydrophobicContact CZ-CD2 3.58Å; F770-L798 HydrophobicContact CD1-CB 4.27Å; F770-L798 HydrophobicContact CD2-CD1 4.33Å; F770-L798 HydrophobicContact CE1-CB 4.09Å; F770-L798 HydrophobicContact CE1-CD1 4.49Å; F770-L798 HydrophobicContact CE2-CD1 3.81Å; F770-L798 HydrophobicContact CZ-CB 4.35Å; F770-L798 HydrophobicContact CZ-CD1 3.93Å; F770-M799 HydrophobicContact CD1-CG 4.06Å; F770-M799 HydrophobicContact CE1-CG 3.71Å; F770-M799 HydrophobicContact CE1-SD 4.1Å
771S70.8Confident83.9Confident44 Ų4445.2 Ų45.231%0.30828%0.278SS..THydrogen-bonded Turntrans-52.815716253.30000110.6G773 N776S771-G773 PolarHBondContact O-N 3.48Å; S771-N776 PolarHBondContact O-ND2 2.76Å; S771-N776 PolarHBondContact O-OD1 2.67Å
772G73.5Confident83.8Confident29 Ų2945.4 Ų45.430%0.29928%0.279SS..THydrogen-bonded Turntrans71.2-25.1178.800000117.2G774 T775 G818G772-G774 PolarHBondContact O-N 3.33Å; G772-T775 WeakPolarHBondContact CA-OG1 3.41Å; G772-T775 PolarHBondContact O-N 3.17Å; G772-T775 VanDerWaalsContact O-N 3.16Å; G772-T775 PolarHBondContact O-OG1 3.17Å; G772-G818 WeakPolarHBondContact CA-O 3.32Å; G772-G818 PolarHBondContact N-O 3.1Å
773G71.4Confident83.7Confident37 Ų3743.6 Ų43.638%0.38127%0.27SS..THydrogen-bonded Turntrans52.852.8174.200000113.8S767 S771S767-G773 WeakPolarHBondContact O-CA 3.26Å; S771-G773 PolarHBondContact O-N 3.48Å
774G76.4Confident83.6Confident20 Ų2039.2 Ų39.221%0.20625%0.246CC..THydrogen-bonded Turntrans85.90.2-178.200000115.9A765 G772 N776A765-G774 WeakPolarHBondContact O-CA 3.46Å; A765-G774 PolarHBondContact O-N 2.9Å; A765-G774 VanDerWaalsContact O-N 3.07Å; G772-G774 PolarHBondContact O-N 3.33Å; G774-N776 VanDerWaalsContact C-N 3.32Å; G774-N776 PolarHBondContact N-OD1 2.85Å
775T79.6Confident83.5Confident67 Ų6738.6 Ų38.641%0.41124%0.242SC..SBendtrans-82.4-12.7166.553.30000113.3G772 S817 G818G772-T775 WeakPolarHBondContact CA-OG1 3.41Å; G772-T775 PolarHBondContact O-N 3.17Å; G772-T775 VanDerWaalsContact O-N 3.16Å; G772-T775 PolarHBondContact O-OG1 3.17Å; T775-S817 CarbonylContact C-O 3.57Å; T775-S817 VanDerWaalsContact O-O 3.07Å; T775-G818 WeakPolarHBondContact OG1-CA 3.35Å
776N83.6Confident83.4Confident4 Ų441.6 Ų41.62%0.02126%0.256CS..  trans-11527.8-175.264.1-37.3000113.8S771 G774 E778 L779 S817S771-N776 PolarHBondContact O-ND2 2.76Å; S771-N776 PolarHBondContact O-OD1 2.67Å; G774-N776 VanDerWaalsContact C-N 3.32Å; G774-N776 PolarHBondContact N-OD1 2.85Å; N776-E778 PolarHBondContact O-N 2.91Å; N776-L779 HydrophobicContact CB-CB 4.46Å; N776-L779 WeakPolarHBondContact O-CB 3.32Å; N776-L779 PolarHBondContact O-N 3.23Å; N776-S817 WeakPolarHBondContact CA-O 3.38Å; N776-S817 WeakPolarHBondContact CB-O 3.46Å; N776-S817 PolarHBondContact N-O 2.95Å
777Q87.9Confident83.3Confident84 Ų8439.5 Ų39.539%0.39324%0.241SC..Hα-helixtrans-51.7-33-179.8-71.5175.31.900113.5M762 C766 L779 A780 L781M762-Q777 HydrophobicContact CE-CB 3.85Å; M762-Q777 HydrophobicContact CE-CG 4.03Å; C766-Q777 PolarHBondContact SG-NE2 3.41Å; Q777-L779 VanDerWaalsContact C-N 3.3Å; Q777-L779 PolarHBondContact O-N 3.44Å; Q777-A780 PolarHBondContact O-N 3Å; Q777-L781 PolarHBondContact O-N 3.46Å; Q777-L781 VanDerWaalsContact O-N 3.12Å
778E87.7Confident83Confident114 Ų11440.6 Ų40.653%0.53326%0.259SS..Hα-helixtrans-61.1-35.1176.9-61.5175.8166.500112.8N776 H782 Y816N776-E778 PolarHBondContact O-N 2.91Å; E778-H782 VanDerWaalsContact O-CB 3.3Å; E778-H782 WeakPolarHBondContact O-CB 3.26Å; E778-H782 PolarHBondContact O-N 3.47Å; E778-Y816 HydrophobicContact CB-CD1 4.33Å
779L87.5Confident82.9Confident4 Ų437.9 Ų37.92%0.02124%0.235CC..Hα-helixtrans-69.1-42.4176.5177.258.2000111.2N776 Q777 L781 H782 C783 L798 I804 F805 Y816N776-L779 HydrophobicContact CB-CB 4.46Å; N776-L779 WeakPolarHBondContact O-CB 3.32Å; N776-L779 PolarHBondContact O-N 3.23Å; Q777-L779 VanDerWaalsContact C-N 3.3Å; Q777-L779 PolarHBondContact O-N 3.44Å; L779-L781 PolarHBondContact O-N 3.3Å; L779-H782 PolarHBondContact O-N 3.23Å; L779-C783 PolarHBondContact O-N 2.97Å; L779-C783 PolarHBondContact O-SG 3.36Å; L779-C783 VanDerWaalsContact O-SG 3.33Å; L779-L798 HydrophobicContact CG-CD2 4.18Å; L779-I804 HydrophobicContact CD1-CG2 4.46Å; L779-I804 HydrophobicContact CD2-CD1 3.93Å; L779-F805 HydrophobicContact CD1-CE2 3.61Å; L779-F805 HydrophobicContact CD1-CZ 3.62Å; L779-Y816 HydrophobicContact CB-CD1 3.82Å; L779-Y816 HydrophobicContact CB-CD2 4.47Å; L779-Y816 HydrophobicContact CB-CE1 4.39Å; L779-Y816 HydrophobicContact CB-CG 3.89Å; L779-Y816 HydrophobicContact CD1-CD1 4.38Å; L779-Y816 HydrophobicContact CD1-CD2 3.85Å; L779-Y816 HydrophobicContact CD1-CE1 4.41Å; L779-Y816 HydrophobicContact CD1-CE2 3.88Å; L779-Y816 HydrophobicContact CD1-CG 4.13Å; L779-Y816 HydrophobicContact CG-CG 4.42Å
780A89.1Confident83.1Confident1 Ų137.9 Ų37.91%0.00823%0.232CC..Hα-helixtrans-64.2-40.8178.500000112F761 A765 Q777 L784 L798F761-A780 HydrophobicContact CE1-CB 4.03Å; F761-A780 HydrophobicContact CZ-CB 3.94Å; A765-A780 HydrophobicContact CB-CB 3.78Å; Q777-A780 PolarHBondContact O-N 3Å; A780-L784 WeakPolarHBondContact O-CB 3.42Å; A780-L784 PolarHBondContact O-N 2.95Å; A780-L798 HydrophobicContact CB-CD1 4.15Å
781L88Confident83.4Confident54 Ų5438.7 Ų38.728%0.28324%0.237SC..Hα-helixtrans-67.4-40.2174.1-70.8168.8000112.5W742 M762 Q777 L779 L784 H785W742-L781 HydrophobicContact CE3-CB 4.15Å; W742-L781 HydrophobicContact CH2-CD2 4.01Å; W742-L781 HydrophobicContact CZ3-CB 4.12Å; W742-L781 HydrophobicContact CZ3-CD2 3.89Å; W742-L781 WeakPolarHBondContact CZ3-O 3.41Å; M762-L781 HydrophobicContact CE-CD1 4.1Å; M762-L781 HydrophobicContact CE-CD2 4.26Å; M762-L781 HydrophobicContact CE-CG 3.97Å; M762-L781 HydrophobicContact SD-CD2 3.63Å; M762-L781 HydrophobicContact SD-CG 3.88Å; Q777-L781 PolarHBondContact O-N 3.46Å; Q777-L781 VanDerWaalsContact O-N 3.12Å; L779-L781 PolarHBondContact O-N 3.3Å; L781-L784 WeakPolarHBondContact O-CB 3.36Å; L781-L784 PolarHBondContact O-N 3.34Å; L781-H785 PolarHBondContact O-N 2.9Å
782H87.8Confident84.2Confident8 Ų843.1 Ų43.14%0.03726%0.256CS..Hα-helixtrans-64.7-45.7177.3179.4-135000112.1E778 L779 L784 H785 E786 F805 H809 Y816E778-H782 VanDerWaalsContact O-CB 3.3Å; E778-H782 WeakPolarHBondContact O-CB 3.26Å; E778-H782 PolarHBondContact O-N 3.47Å; L779-H782 PolarHBondContact O-N 3.23Å; H782-L784 VanDerWaalsContact C-N 3.28Å; H782-L784 PolarHBondContact O-N 2.95Å; H782-H785 PolarHBondContact O-N 3.38Å; H782-E786 PolarHBondContact O-N 3.48Å; H782-F805 AromaticContact CE1-CE1 3.67Å; H782-F805 AromaticContact CE1-CZ 3.7Å; H782-F805 AromaticContact ND1-CE1 3.64Å; H782-F805 AromaticContact ND1-CZ 3.29Å; H782-F805 VanDerWaalsContact ND1-CZ 3.29Å; H782-F805 WeakPolarHBondContact ND1-CZ 3.32Å; H782-H809 AromaticContact CE1-CE1 3.68Å; H782-Y816 PolarHBondContact CE1-OH 3.43Å; H782-Y816 VanDerWaalsContact CE1-OH 3.28Å; H782-Y816 AromaticContact ND1-CZ 3.73Å; H782-Y816 PolarHBondContact ND1-OH 2.96Å
783C87.3Confident84.9Confident0 Ų046 Ų460%026%0.262CS..Hα-helixtrans-62.5-35.3174.5-66.70000112.1L779 E786 C787 T794 L798L779-C783 PolarHBondContact O-N 2.97Å; L779-C783 PolarHBondContact O-SG 3.36Å; L779-C783 VanDerWaalsContact O-SG 3.33Å; C783-E786 PolarHBondContact O-N 3.4Å; C783-C787 WeakPolarHBondContact O-CB 3.48Å; C783-C787 PolarHBondContact O-N 2.6Å; C783-C787 PolarHBondContact O-SG 3.11Å; C783-T794 HydrophobicContact CB-CG2 3.85Å; C783-L798 HydrophobicContact CB-CD2 4.18Å; C783-L798 HydrophobicContact CB-CG 4.25Å
784L88.4Confident85.7Confident1 Ų144.3 Ų44.31%0.00524%0.244CC..Hα-helixtrans-63.3-43175.7-176.464.2000112W742 F761 A780 L781 H782 C787 G788 D789 I791 T794W742-L784 HydrophobicContact CH2-CD2 4.26Å; W742-L784 HydrophobicContact CZ3-CB 4.5Å; W742-L784 HydrophobicContact CZ3-CD2 4.32Å; F761-L784 HydrophobicContact CD1-CD2 4.26Å; F761-L784 HydrophobicContact CE1-CB 4.3Å; F761-L784 HydrophobicContact CE1-CD2 4.13Å; A780-L784 WeakPolarHBondContact O-CB 3.42Å; A780-L784 PolarHBondContact O-N 2.95Å; L781-L784 WeakPolarHBondContact O-CB 3.36Å; L781-L784 PolarHBondContact O-N 3.34Å; H782-L784 VanDerWaalsContact C-N 3.28Å; H782-L784 PolarHBondContact O-N 2.95Å; L784-C787 CarbonylContact O-C 3.57Å; L784-C787 PolarHBondContact O-N 2.96Å; L784-G788 PolarHBondContact O-N 3.27Å; L784-D789 WeakPolarHBondContact O-CA 3.45Å; L784-D789 PolarHBondContact O-N 3.05Å; L784-I791 HydrophobicContact CD1-CG1 3.72Å; L784-T794 WeakPolarHBondContact CA-OG1 3.47Å; L784-T794 HydrophobicContact CB-CG2 4.1Å; L784-T794 HydrophobicContact CD1-CG2 4.48Å
785H87.3Confident86.3Confident47 Ų4745 Ų4522%0.21824%0.243CC..Hα-helixtrans-65.7-42.8173.9172.6-107.1000112.3L740 V741 W742 H743 L781 H782 C787 G788L740-H785 PolarHBondContact O-CE1 3.04Å; V741-H785 PolarHBondContact O-ND1 3.3Å; W742-H785 HydrophobicContact CE3-CB 3.89Å; W742-H785 HydrophobicContact CZ3-CB 4.29Å; H743-H785 PolarHBondContact N-CD2 2.89Å; H743-H785 VanDerWaalsContact N-CD2 3.29Å; H743-H785 PolarHBondContact N-NE2 2.95Å; L781-H785 PolarHBondContact O-N 2.9Å; H782-H785 PolarHBondContact O-N 3.38Å; H785-C787 VanDerWaalsContact C-N 3.31Å; H785-C787 PolarHBondContact O-N 3.08Å; H785-G788 PolarHBondContact O-N 3.3Å; H785-G788 VanDerWaalsContact O-N 3.12Å
786E86.5Confident86.7Confident65 Ų6547.1 Ų47.130%0.30425%0.248SC..Hα-helixtrans-65.5-34.3177.9-152.9-159.3141.300112.2H782 C783 G788 R797 F805 H809H782-E786 PolarHBondContact O-N 3.48Å; C783-E786 PolarHBondContact O-N 3.4Å; E786-G788 PolarHBondContact O-N 2.85Å; E786-R797 IonicContact OE1-CZ 3.57Å; E786-R797 IonicContact OE1-NH1 2.7Å; E786-R797 PolarHBondContact OE1-NH1 3.29Å; E786-R797 IonicContact OE1-NH2 3.6Å; E786-R797 IonicContact OE2-CZ 3.91Å; E786-R797 IonicContact OE2-NH1 2.87Å; E786-R797 PolarHBondContact OE2-NH1 2.92Å; E786-F805 WeakPolarHBondContact OE2-CD1 3.48Å; E786-F805 VanDerWaalsContact OE2-CE1 3.29Å; E786-F805 WeakPolarHBondContact OE2-CE1 3.45Å; E786-H809 IonicContact OE1-NE2 3.81Å; E786-H809 IonicContact OE2-CE1 3.7Å; E786-H809 IonicContact OE2-NE2 3.72Å
787C85.6Confident86.8Confident10 Ų1048.7 Ų48.77%0.06825%0.254CS..THydrogen-bonded Turntrans-84.914.7174.1-57.30000113.4C783 L784 H785 D789 N790 E793 T794C783-C787 WeakPolarHBondContact O-CB 3.48Å; C783-C787 PolarHBondContact O-N 2.6Å; C783-C787 PolarHBondContact O-SG 3.11Å; L784-C787 CarbonylContact O-C 3.57Å; L784-C787 PolarHBondContact O-N 2.96Å; H785-C787 VanDerWaalsContact C-N 3.31Å; H785-C787 PolarHBondContact O-N 3.08Å; C787-D789 PolarHBondContact O-N 3.07Å; C787-N790 WeakPolarHBondContact O-CB 3.17Å; C787-N790 PolarHBondContact O-N 3.19Å; C787-E793 HydrophobicContact CB-CB 4.44Å; C787-E793 HydrophobicContact CB-CG 4.27Å; C787-T794 WeakPolarHBondContact CB-OG1 3.11Å
788G79.5Confident86.7Confident59 Ų5945.7 Ų45.761%0.60824%0.241SC*.THydrogen-bonded Turntrans58.742.4174.800000114.2L784 H785 E786 N790L784-G788 PolarHBondContact O-N 3.27Å; H785-G788 PolarHBondContact O-N 3.3Å; H785-G788 VanDerWaalsContact O-N 3.12Å; E786-G788 PolarHBondContact O-N 2.85Å; G788-N790 PolarHBondContact O-N 3.37Å
789D80.7Confident86.5Confident63 Ų6345.4 Ų45.434%0.33724%0.241SC..THydrogen-bonded Turntrans65.19.6-176.1-55.5-64.5000115.2L745 L784 C787 I791L745-D789 WeakPolarHBondContact CD2-OD2 3.47Å; L784-D789 WeakPolarHBondContact O-CA 3.45Å; L784-D789 PolarHBondContact O-N 3.05Å; C787-D789 PolarHBondContact O-N 3.07Å; D789-I791 PolarHBondContact O-N 3.21Å
790N85.7Confident86.2Confident69 Ų6951.6 Ų51.637%0.36927%0.273SS..  trans-75.793.7174.1-174.41.9000111.6C787 G788 L792 E793 T794C787-N790 WeakPolarHBondContact O-CB 3.17Å; C787-N790 PolarHBondContact O-N 3.19Å; G788-N790 PolarHBondContact O-N 3.37Å; N790-L792 VanDerWaalsContact C-N 3.28Å; N790-L792 PolarHBondContact O-N 3.08Å; N790-L792 PolarHBondContact OD1-N 3.43Å; N790-E793 HydrophobicContact CB-CB 4.08Å; N790-E793 VanDerWaalsContact ND2-CB 3.26Å; N790-E793 WeakPolarHBondContact ND2-CB 3.29Å; N790-E793 PolarHBondContact ND2-OE2 3.01Å; N790-E793 PolarHBondContact O-N 2.65Å; N790-T794 WeakPolarHBondContact O-CB 3.48Å; N790-T794 PolarHBondContact O-N 3.46Å; N790-T794 PolarHBondContact O-OG1 2.78Å
791I87.5Confident85.7Confident33 Ų3355.3 Ų55.317%0.16929%0.29CS..Hα-helixtrans-57.1-36.5-178.1-64.5173.6000112.6T757 I758 F761 L784 D789 T794 L795T757-I791 HydrophobicContact CG2-CD1 3.64Å; I758-I791 HydrophobicContact CG1-CD1 4.34Å; F761-I791 HydrophobicContact CB-CD1 4.47Å; F761-I791 HydrophobicContact CB-CG2 4.28Å; F761-I791 HydrophobicContact CD2-CG2 3.8Å; F761-I791 HydrophobicContact CE2-CG2 4.5Å; F761-I791 HydrophobicContact CG-CG2 4.24Å; L784-I791 HydrophobicContact CD1-CG1 3.72Å; D789-I791 PolarHBondContact O-N 3.21Å; I791-T794 WeakPolarHBondContact O-CB 3.38Å; I791-T794 PolarHBondContact O-N 2.74Å; I791-L795 HydrophobicContact CG2-CD1 4.16Å; I791-L795 HydrophobicContact CG2-CG 4.41Å; I791-L795 VanDerWaalsContact O-CG 3.24Å; I791-L795 WeakPolarHBondContact O-CG 3.35Å; I791-L795 PolarHBondContact O-N 3.42Å
792L87.9Confident84.9Confident136 Ų13660.6 Ų60.671%0.71232%0.319SS*.Hα-helixtrans-70.1-43.9-177.9-68.9176.1000112.3N790 T794 L795 E796N790-L792 VanDerWaalsContact C-N 3.28Å; N790-L792 PolarHBondContact O-N 3.08Å; N790-L792 PolarHBondContact OD1-N 3.43Å; L792-T794 VanDerWaalsContact C-N 3.31Å; L792-L795 PolarHBondContact O-N 3.01Å; L792-E796 PolarHBondContact O-N 3.27Å
793E87.3Confident84.1Confident91 Ų9164.3 Ų64.343%0.42534%0.344SS..Hα-helixtrans-67.6-34.2175.3-176.9175.5177.500111.5C787 N790 E796 R797C787-E793 HydrophobicContact CB-CB 4.44Å; C787-E793 HydrophobicContact CB-CG 4.27Å; N790-E793 HydrophobicContact CB-CB 4.08Å; N790-E793 VanDerWaalsContact ND2-CB 3.26Å; N790-E793 WeakPolarHBondContact ND2-CB 3.29Å; N790-E793 PolarHBondContact ND2-OE2 3.01Å; N790-E793 PolarHBondContact O-N 2.65Å; E793-E796 PolarHBondContact O-N 3.47Å; E793-R797 WeakPolarHBondContact O-CB 3.48Å; E793-R797 PolarHBondContact O-N 2.99Å
794T89Confident83.6Confident0 Ų065.9 Ų65.90%035%0.352CS..Hα-helixtrans-61.6-44170.8-52.80000111.5F761 C783 L784 C787 N790 I791 L792 R797 L798F761-T794 HydrophobicContact CE2-CG2 3.92Å; F761-T794 HydrophobicContact CZ-CG2 3.55Å; C783-T794 HydrophobicContact CB-CG2 3.85Å; L784-T794 WeakPolarHBondContact CA-OG1 3.47Å; L784-T794 HydrophobicContact CB-CG2 4.1Å; L784-T794 HydrophobicContact CD1-CG2 4.48Å; C787-T794 WeakPolarHBondContact CB-OG1 3.11Å; N790-T794 WeakPolarHBondContact O-CB 3.48Å; N790-T794 PolarHBondContact O-N 3.46Å; N790-T794 PolarHBondContact O-OG1 2.78Å; I791-T794 WeakPolarHBondContact O-CB 3.38Å; I791-T794 PolarHBondContact O-N 2.74Å; L792-T794 VanDerWaalsContact C-N 3.31Å; T794-R797 PolarHBondContact O-N 3.34Å; T794-L798 HydrophobicContact CG2-CD1 3.86Å; T794-L798 HydrophobicContact CG2-CG 4.46Å; T794-L798 WeakPolarHBondContact O-CB 3.16Å; T794-L798 VanDerWaalsContact O-CG 3.25Å; T794-L798 WeakPolarHBondContact O-CG 3.5Å; T794-L798 PolarHBondContact O-N 3.46Å
795L88.3Confident83.2Confident36 Ų3666.9 Ų66.919%0.18836%0.356CS..Hα-helixtrans-66.3-41.5175.8-71.1172.9000112F761 L764 F770 I791 L792 R797 L798 M799F761-L795 HydrophobicContact CD2-CD2 4.04Å; F761-L795 HydrophobicContact CD2-CG 4.41Å; F761-L795 HydrophobicContact CE2-CD2 3.87Å; F761-L795 HydrophobicContact CE2-CG 4.29Å; L764-L795 HydrophobicContact CD2-CD1 4.36Å; L764-L795 HydrophobicContact CD2-CD2 3.66Å; F770-L795 HydrophobicContact CE1-CD2 4.04Å; F770-L795 HydrophobicContact CZ-CD2 3.58Å; I791-L795 HydrophobicContact CG2-CD1 4.16Å; I791-L795 HydrophobicContact CG2-CG 4.41Å; I791-L795 VanDerWaalsContact O-CG 3.24Å; I791-L795 WeakPolarHBondContact O-CG 3.35Å; I791-L795 PolarHBondContact O-N 3.42Å; L792-L795 PolarHBondContact O-N 3.01Å; L795-R797 VanDerWaalsContact C-N 3.35Å; L795-R797 PolarHBondContact O-N 3.04Å; L795-L798 PolarHBondContact O-N 3.4Å; L795-M799 VanDerWaalsContact O-CB 3.28Å; L795-M799 WeakPolarHBondContact O-CB 3.49Å; L795-M799 WeakPolarHBondContact O-CG 3.47Å; L795-M799 PolarHBondContact O-N 3Å
796E88.1Confident82.7Confident110 Ų11068.3 Ų68.351%0.51437%0.369SS..Hα-helixtrans-57.6-48.5175.4-163.2-173.8144.400110.9L792 E793 M799 L800L792-E796 PolarHBondContact O-N 3.27Å; E793-E796 PolarHBondContact O-N 3.47Å; E796-M799 PolarHBondContact O-N 2.93Å; E796-L800 HydrophobicContact CG-CD1 3.87Å; E796-L800 WeakPolarHBondContact O-CB 3.28Å; E796-L800 PolarHBondContact O-N 3.23Å
797R85.1Confident81.7Confident38 Ų3875.2 Ų75.214%0.14340%0.398CS..Hα-helixtrans-64-43.8177.1-171.1-179.4-69.1-146.26.9112.8E786 E793 T794 L795 M799 Q801 I804E786-R797 IonicContact OE1-CZ 3.57Å; E786-R797 IonicContact OE1-NH1 2.7Å; E786-R797 PolarHBondContact OE1-NH1 3.29Å; E786-R797 IonicContact OE1-NH2 3.6Å; E786-R797 IonicContact OE2-CZ 3.91Å; E786-R797 IonicContact OE2-NH1 2.87Å; E786-R797 PolarHBondContact OE2-NH1 2.92Å; E793-R797 WeakPolarHBondContact O-CB 3.48Å; E793-R797 PolarHBondContact O-N 2.99Å; T794-R797 PolarHBondContact O-N 3.34Å; L795-R797 VanDerWaalsContact C-N 3.35Å; L795-R797 PolarHBondContact O-N 3.04Å; R797-M799 VanDerWaalsContact C-N 3.33Å; R797-M799 PolarHBondContact O-N 2.87Å; R797-Q801 HydrophobicContact CG-CB 4.44Å; R797-Q801 WeakPolarHBondContact O-CB 3.41Å; R797-Q801 PolarHBondContact O-N 3.01Å; R797-I804 WeakPolarHBondContact CD-O 3.47Å; R797-I804 HydrophobicContact CG-CG2 4.17Å
798L86Confident80.8Confident21 Ų2178.2 Ų78.211%0.1143%0.431CS..Hα-helixtrans-71.9-21.6-179.2-73171.5000114.3F761 F770 L779 A780 C783 T794 L795F761-L798 HydrophobicContact CE2-CD1 4.24Å; F761-L798 HydrophobicContact CZ-CD1 4.01Å; F770-L798 HydrophobicContact CD1-CB 4.27Å; F770-L798 HydrophobicContact CD2-CD1 4.33Å; F770-L798 HydrophobicContact CE1-CB 4.09Å; F770-L798 HydrophobicContact CE1-CD1 4.49Å; F770-L798 HydrophobicContact CE2-CD1 3.81Å; F770-L798 HydrophobicContact CZ-CB 4.35Å; F770-L798 HydrophobicContact CZ-CD1 3.93Å; L779-L798 HydrophobicContact CG-CD2 4.18Å; A780-L798 HydrophobicContact CB-CD1 4.15Å; C783-L798 HydrophobicContact CB-CD2 4.18Å; C783-L798 HydrophobicContact CB-CG 4.25Å; T794-L798 HydrophobicContact CG2-CD1 3.86Å; T794-L798 HydrophobicContact CG2-CG 4.46Å; T794-L798 WeakPolarHBondContact O-CB 3.16Å; T794-L798 VanDerWaalsContact O-CG 3.25Å; T794-L798 WeakPolarHBondContact O-CG 3.5Å; T794-L798 PolarHBondContact O-N 3.46Å; L795-L798 PolarHBondContact O-N 3.4Å
799M84.7Confident80.7Confident108 Ų10877 Ų7753%0.53241%0.41SS..Hα-helixtrans-110.6-22.9-174.9-65-175.46200114.8V769 F770 L795 E796 R797V769-M799 HydrophobicContact CG1-CE 3.54Å; V769-M799 HydrophobicContact CG1-CG 4.39Å; V769-M799 HydrophobicContact CG1-SD 3.7Å; F770-M799 HydrophobicContact CD1-CG 4.06Å; F770-M799 HydrophobicContact CE1-CG 3.71Å; F770-M799 HydrophobicContact CE1-SD 4.1Å; L795-M799 VanDerWaalsContact O-CB 3.28Å; L795-M799 WeakPolarHBondContact O-CB 3.49Å; L795-M799 WeakPolarHBondContact O-CG 3.47Å; L795-M799 PolarHBondContact O-N 3Å; E796-M799 PolarHBondContact O-N 2.93Å; R797-M799 VanDerWaalsContact C-N 3.33Å; R797-M799 PolarHBondContact O-N 2.87Å
800L81.4Confident80.6Confident134 Ų13478.8 Ų78.870%0.70242%0.416SS*.Hα-helixtrans-121.3-11.4-172.7-53.8-178.6000114.7E796E796-L800 HydrophobicContact CG-CD1 3.87Å; E796-L800 WeakPolarHBondContact O-CB 3.28Å; E796-L800 PolarHBondContact O-N 3.23Å
801Q77.1Confident80.2Confident79 Ų7976.6 Ų76.637%0.36940%0.404SS..  trans-109.3103.6-174-59.1-174.421.900112.3R797 P803 I804R797-Q801 HydrophobicContact CG-CB 4.44Å; R797-Q801 WeakPolarHBondContact O-CB 3.41Å; R797-Q801 PolarHBondContact O-N 3.01Å; Q801-P803 CarbonylContact O-C 3.3Å; Q801-I804 VanDerWaalsContact O-CA 3.31Å; Q801-I804 WeakPolarHBondContact O-CA 3.41Å; Q801-I804 WeakPolarHBondContact O-CG1 3.39Å; Q801-I804 PolarHBondContact O-N 3.39Å
802D72.3Confident79.5Confident165 Ų16577.8 Ų77.888%0.88242%0.419SS*.SBendtrans-107.5112166-87.8-45.2000109.6
803P71.3Confident78.9Confident86 Ų8675.1 Ų75.156%0.55842%0.424SS*.SBendcis-80.2149.6-234-35.4000113.5Q801 F805Q801-P803 CarbonylContact O-C 3.3Å; P803-F805 PolarHBondContact O-N 2.9Å
804I76.3Confident78.8Confident33 Ų3376.7 Ų76.717%0.16943%0.427CS..SBendtrans-59.1-30.2-179-61.5171.8000112.9L779 R797 Q801L779-I804 HydrophobicContact CD1-CG2 4.46Å; L779-I804 HydrophobicContact CD2-CD1 3.93Å; R797-I804 WeakPolarHBondContact CD-O 3.47Å; R797-I804 HydrophobicContact CG-CG2 4.17Å; Q801-I804 VanDerWaalsContact O-CA 3.31Å; Q801-I804 WeakPolarHBondContact O-CA 3.41Å; Q801-I804 WeakPolarHBondContact O-CG1 3.39Å; Q801-I804 PolarHBondContact O-N 3.39Å
805F79.6Confident78.6Confident22 Ų2280.6 Ų80.610%0.09645%0.445CS..SBendtrans-115.5137.6175.9-58.7-70.3000111.1L779 H782 E786 P803 H809 Y816L779-F805 HydrophobicContact CD1-CE2 3.61Å; L779-F805 HydrophobicContact CD1-CZ 3.62Å; H782-F805 AromaticContact CE1-CE1 3.67Å; H782-F805 AromaticContact CE1-CZ 3.7Å; H782-F805 AromaticContact ND1-CE1 3.64Å; H782-F805 AromaticContact ND1-CZ 3.29Å; H782-F805 VanDerWaalsContact ND1-CZ 3.29Å; H782-F805 WeakPolarHBondContact ND1-CZ 3.32Å; E786-F805 WeakPolarHBondContact OE2-CD1 3.48Å; E786-F805 VanDerWaalsContact OE2-CE1 3.29Å; E786-F805 WeakPolarHBondContact OE2-CE1 3.45Å; P803-F805 PolarHBondContact O-N 2.9Å; F805-H809 HydrophobicContact CB-CB 3.9Å; F805-H809 AromaticContact CD1-CE1 3.65Å; F805-H809 AromaticContact CD1-ND1 3.3Å; F805-H809 VanDerWaalsContact CD1-ND1 3.3Å; F805-H809 WeakPolarHBondContact CD1-ND1 3.48Å; F805-H809 AromaticContact CE1-CE1 3.9Å; F805-H809 AromaticContact CE1-ND1 3.92Å; F805-H809 AromaticContact CG-ND1 3.73Å; F805-Y816 AromaticContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CZ-CE2 4.35Å
806P76.9Confident78.5Confident77 Ų7779.7 Ų79.750%0.544%0.439SS..  trans-66.6155.117827.7-34.8000112.2G808 H809P806-G808 VanDerWaalsContact C-N 3.27Å; P806-G808 PolarHBondContact O-N 2.98Å; P806-H809 HydrophobicContact CG-CB 4.45Å; P806-H809 PolarHBondContact O-N 3.2Å
807K64.6Low78.4Confident209 Ų20977.1 Ų77.191%0.90943%0.434SS*.THydrogen-bonded Turntrans-68.379.9179.1-65.7177.2-177.9172.30111.2
808G66.9Low78.2Confident74 Ų7475.7 Ų75.776%0.76343%0.431SS*.THydrogen-bonded Turntrans154.4-11.2-172.400000113.7P806P806-G808 VanDerWaalsContact C-N 3.27Å; P806-G808 PolarHBondContact O-N 2.98Å
809H79Confident78Confident34 Ų3476.4 Ų76.416%0.15744%0.438CS..  trans-63.1135173.7-160.2-123.5000110.9H782 E786 F805 P806 L811 A812H782-H809 AromaticContact CE1-CE1 3.68Å; E786-H809 IonicContact OE1-NE2 3.81Å; E786-H809 IonicContact OE2-CE1 3.7Å; E786-H809 IonicContact OE2-NE2 3.72Å; F805-H809 HydrophobicContact CB-CB 3.9Å; F805-H809 AromaticContact CD1-CE1 3.65Å; F805-H809 AromaticContact CD1-ND1 3.3Å; F805-H809 VanDerWaalsContact CD1-ND1 3.3Å; F805-H809 WeakPolarHBondContact CD1-ND1 3.48Å; F805-H809 AromaticContact CE1-CE1 3.9Å; F805-H809 AromaticContact CE1-ND1 3.92Å; F805-H809 AromaticContact CG-ND1 3.73Å; P806-H809 HydrophobicContact CG-CB 4.45Å; P806-H809 PolarHBondContact O-N 3.2Å; H809-L811 PolarHBondContact O-N 3.43Å; H809-L811 VanDerWaalsContact O-N 3.08Å; H809-A812 HydrophobicContact CB-CB 4.13Å; H809-A812 VanDerWaalsContact O-CB 3.22Å; H809-A812 WeakPolarHBondContact O-CB 3.49Å; H809-A812 PolarHBondContact O-N 3.3Å
810H76.8Confident78Confident99 Ų9972.6 Ų72.646%0.45842%0.419SS..THydrogen-bonded Turntrans-53-31.8-179.561.3157.9000114.1D739D739-H810 WeakPolarHBondContact CB-ND1 3.36Å; D739-H810 VanDerWaalsContact CG-ND1 3.26Å; D739-H810 IonicContact OD1-CE1 3.65Å; D739-H810 IonicContact OD1-CG 3.68Å; D739-H810 IonicContact OD1-ND1 2.73Å; D739-H810 PolarHBondContact OD1-ND1 2.95Å
811L77.4Confident78.1Confident23 Ų2372.3 Ų72.312%0.1242%0.419CS..THydrogen-bonded Turntrans-106.216.3178.6-65170.1000113.8D739 V741 H809 G813 Y814D739-L811 HydrophobicContact CB-CD1 4.46Å; V741-L811 HydrophobicContact CG1-CD1 3.31Å; H809-L811 PolarHBondContact O-N 3.43Å; H809-L811 VanDerWaalsContact O-N 3.08Å; L811-G813 PolarHBondContact O-N 3.34Å; L811-G813 VanDerWaalsContact O-N 3.1Å; L811-Y814 HydrophobicContact CD2-CD2 4.39Å; L811-Y814 HydrophobicContact CD2-CG 4.47Å; L811-Y814 WeakPolarHBondContact O-CB 3.22Å; L811-Y814 PolarHBondContact O-N 3.3Å
812A74.6Confident78.6Confident58 Ų5869.9 Ų69.948%0.47941%0.406SS..THydrogen-bonded Turntrans-61.1-17.9173.700000113.7H809H809-A812 HydrophobicContact CB-CB 4.13Å; H809-A812 VanDerWaalsContact O-CB 3.22Å; H809-A812 WeakPolarHBondContact O-CB 3.49Å; H809-A812 PolarHBondContact O-N 3.3Å
813G75.2Confident79.5Confident81 Ų8165.4 Ų65.484%0.83539%0.385SS*.THydrogen-bonded Turntrans-98.34.1172.500000115L811L811-G813 PolarHBondContact O-N 3.34Å; L811-G813 VanDerWaalsContact O-N 3.1Å
814Y84.1Confident80.3Confident123 Ų12363.8 Ų63.848%0.48238%0.379SS..  trans-83.7134.4179.4-174.4-88000111.2L811 Y816L811-Y814 HydrophobicContact CD2-CD2 4.39Å; L811-Y814 HydrophobicContact CD2-CG 4.47Å; L811-Y814 WeakPolarHBondContact O-CB 3.22Å; L811-Y814 PolarHBondContact O-N 3.3Å; Y814-Y816 AromaticContact CD1-CD1 3.94Å; Y814-Y816 HydrophobicContact CD1-CD1 3.94Å; Y814-Y816 AromaticContact CD1-CD2 3.82Å; Y814-Y816 HydrophobicContact CD1-CD2 3.82Å; Y814-Y816 AromaticContact CD1-CE1 3.71Å; Y814-Y816 HydrophobicContact CD1-CE1 3.71Å; Y814-Y816 AromaticContact CD1-CE2 3.56Å; Y814-Y816 HydrophobicContact CD1-CE2 3.56Å; Y814-Y816 AromaticContact CD1-CG 3.97Å; Y814-Y816 HydrophobicContact CD1-CG 3.97Å; Y814-Y816 AromaticContact CD1-CZ 3.47Å; Y814-Y816 VanDerWaalsContact CD1-CZ 3.47Å; Y814-Y816 AromaticContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD2 4.4Å; Y814-Y816 AromaticContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE2 4.36Å; Y814-Y816 HydrophobicContact CE1-CG 4.09Å; Y814-Y816 AromaticContact CE1-CZ 3.99Å; Y814-Y816 HydrophobicContact CG-CE2 4.43Å
815H85.3Confident81Confident82 Ų8268.7 Ų68.738%0.3840%0.401SS..  trans-95.6110.1178.618081.7000110.6D820 E858H815-D820 IonicContact CE1-OD1 2.67Å; H815-E858 IonicContact CD2-OE2 3.84Å; H815-E858 IonicContact CE1-OE2 2.77Å; H815-E858 IonicContact NE2-OE2 3.52Å; H815-E858 PolarHBondContact NE2-OE2 3.17Å
816Y86.8Confident81.7Confident17 Ų1768.5 Ų68.57%0.06740%0.4CS..  trans-80.5131.9174.4-66.6-86000110.1E778 L779 H782 F805 Y814 G818 S819E778-Y816 HydrophobicContact CB-CD1 4.33Å; L779-Y816 HydrophobicContact CB-CD1 3.82Å; L779-Y816 HydrophobicContact CB-CD2 4.47Å; L779-Y816 HydrophobicContact CB-CE1 4.39Å; L779-Y816 HydrophobicContact CB-CG 3.89Å; L779-Y816 HydrophobicContact CD1-CD1 4.38Å; L779-Y816 HydrophobicContact CD1-CD2 3.85Å; L779-Y816 HydrophobicContact CD1-CE1 4.41Å; L779-Y816 HydrophobicContact CD1-CE2 3.88Å; L779-Y816 HydrophobicContact CD1-CG 4.13Å; L779-Y816 HydrophobicContact CG-CG 4.42Å; H782-Y816 PolarHBondContact CE1-OH 3.43Å; H782-Y816 VanDerWaalsContact CE1-OH 3.28Å; H782-Y816 AromaticContact ND1-CZ 3.73Å; H782-Y816 PolarHBondContact ND1-OH 2.96Å; F805-Y816 AromaticContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CZ-CE2 4.35Å; Y814-Y816 AromaticContact CD1-CD1 3.94Å; Y814-Y816 HydrophobicContact CD1-CD1 3.94Å; Y814-Y816 AromaticContact CD1-CD2 3.82Å; Y814-Y816 HydrophobicContact CD1-CD2 3.82Å; Y814-Y816 AromaticContact CD1-CE1 3.71Å; Y814-Y816 HydrophobicContact CD1-CE1 3.71Å; Y814-Y816 AromaticContact CD1-CE2 3.56Å; Y814-Y816 HydrophobicContact CD1-CE2 3.56Å; Y814-Y816 AromaticContact CD1-CG 3.97Å; Y814-Y816 HydrophobicContact CD1-CG 3.97Å; Y814-Y816 AromaticContact CD1-CZ 3.47Å; Y814-Y816 VanDerWaalsContact CD1-CZ 3.47Å; Y814-Y816 AromaticContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD2 4.4Å; Y814-Y816 AromaticContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE2 4.36Å; Y814-Y816 HydrophobicContact CE1-CG 4.09Å; Y814-Y816 AromaticContact CE1-CZ 3.99Å; Y814-Y816 HydrophobicContact CG-CE2 4.43Å; Y816-G818 PolarHBondContact O-N 3.44Å; Y816-S819 WeakPolarHBondContact O-CB 3.36Å; Y816-S819 PolarHBondContact O-N 2.9Å; Y816-S819 VanDerWaalsContact O-N 3.11Å; Y816-S819 PolarHBondContact O-OG 3.38Å
817S85.8Confident82.4Confident57 Ų5767 Ų6740%0.39939%0.386SS..THydrogen-bonded Turntrans-54.8134.4174.6-64.90000109.9T775 N776 S819 E858T775-S817 CarbonylContact C-O 3.57Å; T775-S817 VanDerWaalsContact O-O 3.07Å; N776-S817 WeakPolarHBondContact CA-O 3.38Å; N776-S817 WeakPolarHBondContact CB-O 3.46Å; N776-S817 PolarHBondContact N-O 2.95Å; S817-S819 VanDerWaalsContact C-N 3.34Å; S817-S819 PolarHBondContact O-N 3.06Å; S817-E858 WeakPolarHBondContact CA-OE1 3.47Å
818G80.8Confident83.6Confident8 Ų859.4 Ų59.48%0.08236%0.359CS..THydrogen-bonded Turntrans82-5.6-179.300000116.7G772 T775 Y816 D820 E858G772-G818 WeakPolarHBondContact CA-O 3.32Å; G772-G818 PolarHBondContact N-O 3.1Å; T775-G818 WeakPolarHBondContact OG1-CA 3.35Å; Y816-G818 PolarHBondContact O-N 3.44Å; G818-D820 PolarHBondContact O-N 3.34Å; G818-E858 PolarHBondContact N-OE1 3.37Å
819S81.9Confident84.9Confident36 Ų3660.6 Ų60.625%0.25234%0.341SS..  trans-67.9-16.1177.965.60000113.6Y816 S817 N821Y816-S819 WeakPolarHBondContact O-CB 3.36Å; Y816-S819 PolarHBondContact O-N 2.9Å; Y816-S819 VanDerWaalsContact O-N 3.11Å; Y816-S819 PolarHBondContact O-OG 3.38Å; S817-S819 VanDerWaalsContact C-N 3.34Å; S817-S819 PolarHBondContact O-N 3.06Å; S819-N821 PolarHBondContact O-N 3.45Å; S819-N821 PolarHBondContact O-OD1 3.33Å
820D84.4Confident85.5Confident27 Ų2759 Ų5914%0.14433%0.333CS..  trans-68.6114.5178.4-76.4-18.2000113.5H815 G818 W822 Q855H815-D820 IonicContact CE1-OD1 2.67Å; G818-D820 PolarHBondContact O-N 3.34Å; D820-W822 PolarHBondContact O-N 2.91Å; D820-Q855 PolarHBondContact OD1-NE2 2.88Å; D820-Q855 WeakPolarHBondContact OD2-CB 3.42Å; D820-Q855 WeakPolarHBondContact OD2-CG 3.48Å
821N83.4Confident86.2Confident129 Ų12955.3 Ų55.369%0.6932%0.317SS*.  trans-69.6121.3161.7-53.572.6000109.7S819 K851S819-N821 PolarHBondContact O-N 3.45Å; S819-N821 PolarHBondContact O-OD1 3.33Å; N821-K851 WeakPolarHBondContact O-CE 3.27Å; N821-K851 PolarHBondContact O-NZ 3.46Å
822W88Confident86.9Confident28 Ų2859.3 Ų59.311%0.10633%0.334CS..  trans-110.8120.5175-80.576.1000111.3D820 E826 K827 F830 V848 K851 Q855 F859D820-W822 PolarHBondContact O-N 2.91Å; W822-E826 VanDerWaalsContact CA-OE2 3.3Å; W822-E826 WeakPolarHBondContact CA-OE2 3.2Å; W822-E826 HydrophobicContact CE3-CB 3.83Å; W822-E826 HydrophobicContact CZ3-CB 4.26Å; W822-K827 HydrophobicContact CB-CG 4.25Å; W822-K827 HydrophobicContact CE3-CG 4.5Å; W822-K827 WeakPolarHBondContact O-CE 3.35Å; W822-K827 PolarHBondContact O-NZ 3.06Å; W822-F830 HydrophobicContact CH2-CD2 4.07Å; W822-F830 HydrophobicContact CZ3-CB 3.99Å; W822-F830 HydrophobicContact CZ3-CD2 4.2Å; W822-F830 HydrophobicContact CZ3-CG 4.26Å; W822-V848 HydrophobicContact CZ3-CG1 4.22Å; W822-K851 HydrophobicContact CD2-CG 4.5Å; W822-K851 HydrophobicContact CE3-CG 4.47Å; W822-K851 HydrophobicContact CH2-CB 4.15Å; W822-K851 HydrophobicContact CH2-CG 3.78Å; W822-K851 HydrophobicContact CZ2-CB 4.25Å; W822-K851 HydrophobicContact CZ2-CD 4.12Å; W822-K851 HydrophobicContact CZ2-CG 3.78Å; W822-K851 HydrophobicContact CZ3-CG 4.13Å; W822-Q855 HydrophobicContact CZ2-CB 4.45Å; W822-F859 HydrophobicContact CB-CD2 4.44Å; W822-F859 HydrophobicContact CB-CE2 4.23Å; W822-F859 AromaticContact CD1-CD2 3.79Å; W822-F859 HydrophobicContact CD2-CB 4.35Å; W822-F859 AromaticContact CD2-CD2 3.51Å; W822-F859 HydrophobicContact CD2-CD2 3.51Å; W822-F859 AromaticContact CD2-CE2 3.95Å; W822-F859 HydrophobicContact CD2-CE2 3.95Å; W822-F859 AromaticContact CD2-CG 3.91Å; W822-F859 HydrophobicContact CD2-CG 3.91Å; W822-F859 AromaticContact CE2-CD2 3.59Å; W822-F859 AromaticContact CE2-CG 3.68Å; W822-F859 HydrophobicContact CE3-CD1 4.44Å; W822-F859 HydrophobicContact CE3-CD2 4.05Å; W822-F859 HydrophobicContact CE3-CE2 4.24Å; W822-F859 HydrophobicContact CE3-CG 4.18Å; W822-F859 AromaticContact CG-CD2 3.68Å; W822-F859 HydrophobicContact CG-CD2 3.68Å; W822-F859 AromaticContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CH2-CB 3.96Å; W822-F859 HydrophobicContact CH2-CD1 4.31Å; W822-F859 HydrophobicContact CH2-CG 4.06Å; W822-F859 HydrophobicContact CZ2-CB 3.39Å; W822-F859 HydrophobicContact CZ2-CD1 4.47Å; W822-F859 HydrophobicContact CZ2-CD2 4.18Å; W822-F859 AromaticContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ3-CD1 4.3Å; W822-F859 HydrophobicContact CZ3-CG 4.25Å; W822-F859 AromaticContact NE1-CD2 3.75Å
823T90.4Very high87.8Confident71 Ų7156.6 Ų56.644%0.43631%0.311SS..  trans-73.8164.8177.278.70000112.1E825 E826 K827T823-E825 VanDerWaalsContact C-N 3.31Å; T823-E825 PolarHBondContact OG1-N 3.29Å; T823-E826 HydrophobicContact CG2-CG 4.46Å; T823-E826 PolarHBondContact N-OE2 3.35Å; T823-E826 PolarHBondContact O-N 3.28Å; T823-E826 WeakPolarHBondContact OG1-CG 3.4Å; T823-E826 PolarHBondContact OG1-N 3.37Å; T823-K827 WeakPolarHBondContact O-CB 3.47Å; T823-K827 WeakPolarHBondContact O-CD 3.23Å; T823-K827 WeakPolarHBondContact O-CG 3.44Å; T823-K827 PolarHBondContact O-N 3.29Å
824A88.6Confident88.7Confident52 Ų5253.3 Ų53.343%0.4327%0.274SS..Hα-helixtrans-62.2-39.6173.600000111.6K827 C828A824-K827 PolarHBondContact O-N 3.04Å; A824-C828 VanDerWaalsContact O-CB 3.32Å; A824-C828 WeakPolarHBondContact O-CB 3.35Å; A824-C828 PolarHBondContact O-N 3.18Å
825E91.4Very high89Confident136 Ų13650 Ų5064%0.63627%0.268SS*.Hα-helixtrans-62.6-48.5174.8-65.9178.5-146.900112.2T823 K827 C828 Y829T823-E825 VanDerWaalsContact C-N 3.31Å; T823-E825 PolarHBondContact OG1-N 3.29Å; E825-K827 VanDerWaalsContact C-N 3.3Å; E825-K827 PolarHBondContact O-N 3.49Å; E825-C828 CarbonylContact O-C 3.58Å; E825-C828 WeakPolarHBondContact O-CA 3.49Å; E825-C828 WeakPolarHBondContact O-CB 3.3Å; E825-C828 PolarHBondContact O-N 3.49Å; E825-Y829 HydrophobicContact CB-CD2 4.43Å; E825-Y829 HydrophobicContact CB-CE2 4.32Å; E825-Y829 WeakPolarHBondContact O-CD2 3.37Å; E825-Y829 PolarHBondContact O-N 2.95Å
826E93.6Very high89.4Confident17 Ų1749.2 Ų49.28%0.07928%0.277CS..Hα-helixtrans-58.8-42.6177.1-72176.314100111.3W822 T823 C828 Y829 F830 V848 T850 K851W822-E826 VanDerWaalsContact CA-OE2 3.3Å; W822-E826 WeakPolarHBondContact CA-OE2 3.2Å; W822-E826 HydrophobicContact CE3-CB 3.83Å; W822-E826 HydrophobicContact CZ3-CB 4.26Å; T823-E826 HydrophobicContact CG2-CG 4.46Å; T823-E826 PolarHBondContact N-OE2 3.35Å; T823-E826 PolarHBondContact O-N 3.28Å; T823-E826 WeakPolarHBondContact OG1-CG 3.4Å; T823-E826 PolarHBondContact OG1-N 3.37Å; E826-C828 VanDerWaalsContact C-N 3.35Å; E826-Y829 PolarHBondContact O-N 3.21Å; E826-F830 WeakPolarHBondContact O-CB 3.49Å; E826-F830 PolarHBondContact O-N 3Å; E826-V848 HydrophobicContact CB-CG1 4.25Å; E826-V848 HydrophobicContact CG-CG1 4.26Å; E826-T850 VanDerWaalsContact OE1-CB 3.28Å; E826-T850 WeakPolarHBondContact OE1-CB 3.34Å; E826-T850 PolarHBondContact OE1-OG1 3.36Å; E826-K851 IonicContact OE1-NZ 2.96Å; E826-K851 PolarHBondContact OE1-NZ 3.08Å; E826-K851 IonicContact OE2-NZ 3.57Å; E826-K851 PolarHBondContact OE2-NZ 2.9Å
827K90.6Very high89.7Confident47 Ų4753.4 Ų53.420%0.20429%0.293CS..Hα-helixtrans-62-41.1173.2-70.7163.2176.81440111.4W822 T823 A824 E825 F830 N831 F859W822-K827 HydrophobicContact CB-CG 4.25Å; W822-K827 HydrophobicContact CE3-CG 4.5Å; W822-K827 WeakPolarHBondContact O-CE 3.35Å; W822-K827 PolarHBondContact O-NZ 3.06Å; T823-K827 WeakPolarHBondContact O-CB 3.47Å; T823-K827 WeakPolarHBondContact O-CD 3.23Å; T823-K827 WeakPolarHBondContact O-CG 3.44Å; T823-K827 PolarHBondContact O-N 3.29Å; A824-K827 PolarHBondContact O-N 3.04Å; E825-K827 VanDerWaalsContact C-N 3.3Å; E825-K827 PolarHBondContact O-N 3.49Å; K827-F830 PolarHBondContact O-N 3.35Å; K827-N831 WeakPolarHBondContact O-CB 3.08Å; K827-N831 PolarHBondContact O-N 3.16Å; K827-N831 PolarHBondContact O-ND2 3.09Å; K827-F859 HydrophobicContact CG-CE2 4.15Å; K827-F859 HydrophobicContact CG-CZ 3.81Å
828C90.3Very high89.9Confident49 Ų4959.3 Ų59.333%0.33131%0.307SS..Hα-helixtrans-64.8-46.8177-174.20000111.8A824 E825 E826 N831 K832A824-C828 VanDerWaalsContact O-CB 3.32Å; A824-C828 WeakPolarHBondContact O-CB 3.35Å; A824-C828 PolarHBondContact O-N 3.18Å; E825-C828 CarbonylContact O-C 3.58Å; E825-C828 WeakPolarHBondContact O-CA 3.49Å; E825-C828 WeakPolarHBondContact O-CB 3.3Å; E825-C828 PolarHBondContact O-N 3.49Å; E826-C828 VanDerWaalsContact C-N 3.35Å; C828-N831 PolarHBondContact O-N 3.01Å; C828-K832 WeakPolarHBondContact O-CB 3.29Å; C828-K832 WeakPolarHBondContact O-CD 3.46Å; C828-K832 VanDerWaalsContact O-CG 3.26Å; C828-K832 WeakPolarHBondContact O-CG 3.44Å; C828-K832 PolarHBondContact O-N 3.44Å; C828-K832 WeakPolarHBondContact SG-CE 3.49Å; C828-K832 PolarHBondContact SG-NZ 3.46Å
829Y93.6Very high90.4Very high98 Ų9865.3 Ų65.338%0.38433%0.33SS..Hα-helixtrans-65.1-38.1174.6-72.1-63.7000112.6E825 E826 K832 G833 L847E825-Y829 HydrophobicContact CB-CD2 4.43Å; E825-Y829 HydrophobicContact CB-CE2 4.32Å; E825-Y829 WeakPolarHBondContact O-CD2 3.37Å; E825-Y829 PolarHBondContact O-N 2.95Å; E826-Y829 PolarHBondContact O-N 3.21Å; Y829-K832 HydrophobicContact CD1-CD 4.28Å; Y829-K832 PolarHBondContact O-N 3.21Å; Y829-G833 PolarHBondContact O-N 2.93Å; Y829-L847 HydrophobicContact CD1-CD1 4.37Å; Y829-L847 HydrophobicContact CD1-CG 4.26Å; Y829-L847 WeakPolarHBondContact O-CD2 3.41Å
830F93.4Very high91Very high0 Ų066.8 Ų66.80%034%0.335CS..Hα-helixtrans-62.9-47.5173.3177.6-88.9000111.7W822 E826 K827 K832 G833 I834 V844 V848 C856 F859 Y860 F877W822-F830 HydrophobicContact CH2-CD2 4.07Å; W822-F830 HydrophobicContact CZ3-CB 3.99Å; W822-F830 HydrophobicContact CZ3-CD2 4.2Å; W822-F830 HydrophobicContact CZ3-CG 4.26Å; E826-F830 WeakPolarHBondContact O-CB 3.49Å; E826-F830 PolarHBondContact O-N 3Å; K827-F830 PolarHBondContact O-N 3.35Å; F830-K832 VanDerWaalsContact C-N 3.35Å; F830-K832 PolarHBondContact O-N 3.44Å; F830-G833 PolarHBondContact O-N 3.49Å; F830-G833 VanDerWaalsContact O-N 3.1Å; F830-I834 HydrophobicContact CD1-CG1 4.01Å; F830-I834 HydrophobicContact CD2-CG1 4.37Å; F830-I834 HydrophobicContact CE1-CD1 4.31Å; F830-I834 HydrophobicContact CE1-CG1 3.52Å; F830-I834 HydrophobicContact CE2-CD1 4.06Å; F830-I834 HydrophobicContact CE2-CG1 3.92Å; F830-I834 HydrophobicContact CG-CG1 4.41Å; F830-I834 HydrophobicContact CZ-CD1 3.75Å; F830-I834 HydrophobicContact CZ-CG1 3.46Å; F830-I834 VanDerWaalsContact CZ-CG1 3.46Å; F830-I834 WeakPolarHBondContact O-CG1 3.34Å; F830-I834 PolarHBondContact O-N 2.89Å; F830-V844 HydrophobicContact CD2-CG1 3.64Å; F830-V844 HydrophobicContact CE2-CG1 3.95Å; F830-V844 HydrophobicContact CG-CG1 4.48Å; F830-V848 HydrophobicContact CB-CG2 3.9Å; F830-C856 HydrophobicContact CE2-CB 4.43Å; F830-C856 WeakPolarHBondContact CE2-O 3.27Å; F830-F859 AromaticContact CD1-CD1 3.66Å; F830-F859 HydrophobicContact CD1-CD1 3.66Å; F830-F859 AromaticContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD1-CE1 3.49Å; F830-F859 VanDerWaalsContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD2-CD1 4.13Å; F830-F859 AromaticContact CE1-CD1 3.53Å; F830-F859 HydrophobicContact CE1-CD1 3.53Å; F830-F859 AromaticContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE2-CD1 4.02Å; F830-F859 AromaticContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CE1 4.06Å; F830-F859 AromaticContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CE1 4.31Å; F830-Y860 HydrophobicContact CZ-CD2 4.47Å; F830-F877 HydrophobicContact CD1-CB 4.29Å; F830-F877 HydrophobicContact CE1-CB 3.95Å; F830-F877 HydrophobicContact CE1-CD1 4.17Å; F830-F877 HydrophobicContact CE1-CD2 4.19Å; F830-F877 AromaticContact CE1-CG 3.87Å; F830-F877 HydrophobicContact CE1-CG 3.87Å
831N91.1Very high91.5Very high23 Ų2366.9 Ų66.912%0.12334%0.335CS..Hα-helixtrans-62.2-40177.1-79.3-54.1000112.1K827 C828 S835 L875 F877K827-N831 WeakPolarHBondContact O-CB 3.08Å; K827-N831 PolarHBondContact O-N 3.16Å; K827-N831 PolarHBondContact O-ND2 3.09Å; C828-N831 PolarHBondContact O-N 3.01Å; N831-S835 VanDerWaalsContact O-CB 3.28Å; N831-S835 WeakPolarHBondContact O-CB 3.4Å; N831-S835 PolarHBondContact O-N 2.98Å; N831-S835 PolarHBondContact O-OG 3.3Å; N831-L875 PolarHBondContact OD1-O 2.87Å; N831-F877 PolarHBondContact ND2-O 3.3Å; N831-F877 WeakPolarHBondContact OD1-CD2 3.48Å; N831-F877 PolarHBondContact OD1-N 3.02Å
832K91.9Very high92.1Very high107 Ų10767.3 Ų67.347%0.46533%0.331SS..Hα-helixtrans-60.3-45.6170.1-72.3162.9179.1165.80111.2C828 Y829 F830 S835 A836 L847C828-K832 WeakPolarHBondContact O-CB 3.29Å; C828-K832 WeakPolarHBondContact O-CD 3.46Å; C828-K832 VanDerWaalsContact O-CG 3.26Å; C828-K832 WeakPolarHBondContact O-CG 3.44Å; C828-K832 PolarHBondContact O-N 3.44Å; C828-K832 WeakPolarHBondContact SG-CE 3.49Å; C828-K832 PolarHBondContact SG-NZ 3.46Å; Y829-K832 HydrophobicContact CD1-CD 4.28Å; Y829-K832 PolarHBondContact O-N 3.21Å; F830-K832 VanDerWaalsContact C-N 3.35Å; F830-K832 PolarHBondContact O-N 3.44Å; K832-S835 WeakPolarHBondContact O-CB 3.46Å; K832-S835 PolarHBondContact O-N 3.11Å; K832-A836 WeakPolarHBondContact O-CB 3.37Å; K832-A836 PolarHBondContact O-N 3.46Å; K832-L847 HydrophobicContact CB-CD2 4Å
833G93.7Very high92.5Very high0 Ų069.1 Ų69.10%034%0.342CS..Hα-helixtrans-65.2-47.1-179.100000113.6Y829 F830 S835 A836 Y837Y829-G833 PolarHBondContact O-N 2.93Å; F830-G833 PolarHBondContact O-N 3.49Å; F830-G833 VanDerWaalsContact O-N 3.1Å; G833-S835 VanDerWaalsContact C-N 3.26Å; G833-S835 PolarHBondContact O-N 3.27Å; G833-A836 PolarHBondContact O-N 3.37Å; G833-Y837 WeakPolarHBondContact O-CA 3.31Å; G833-Y837 WeakPolarHBondContact O-CB 3.25Å; G833-Y837 PolarHBondContact O-N 3.04Å
834I93.1Very high92.7Very high13 Ų1365.7 Ų65.77%0.06732%0.321CS..Hα-helixtrans-65.4-31.5175-65.2-66.9000111.1F830 R838 F841 V844 Y860 F877F830-I834 HydrophobicContact CD1-CG1 4.01Å; F830-I834 HydrophobicContact CD2-CG1 4.37Å; F830-I834 HydrophobicContact CE1-CD1 4.31Å; F830-I834 HydrophobicContact CE1-CG1 3.52Å; F830-I834 HydrophobicContact CE2-CD1 4.06Å; F830-I834 HydrophobicContact CE2-CG1 3.92Å; F830-I834 HydrophobicContact CG-CG1 4.41Å; F830-I834 HydrophobicContact CZ-CD1 3.75Å; F830-I834 HydrophobicContact CZ-CG1 3.46Å; F830-I834 VanDerWaalsContact CZ-CG1 3.46Å; F830-I834 WeakPolarHBondContact O-CG1 3.34Å; F830-I834 PolarHBondContact O-N 2.89Å; I834-R838 WeakPolarHBondContact CD1-O 3.4Å; I834-R838 WeakPolarHBondContact O-CA 3.22Å; I834-R838 PolarHBondContact O-N 3Å; I834-R838 VanDerWaalsContact O-N 3.13Å; I834-F841 HydrophobicContact CD1-CE1 4.03Å; I834-V844 HydrophobicContact CD1-CG1 4.42Å; I834-V844 HydrophobicContact CD1-CG2 3.87Å; I834-V844 HydrophobicContact CG1-CG2 4.37Å; I834-Y860 HydrophobicContact CD1-CD2 4.32Å; I834-F877 HydrophobicContact CG2-CE2 3.89Å; I834-F877 HydrophobicContact CG2-CZ 4.34Å
835S90.5Very high93Very high52 Ų5265.5 Ų65.536%0.36431%0.311SS..Hα-helixtrans-68.7-44.9174.4-62.30000112.2N831 K832 G833N831-S835 VanDerWaalsContact O-CB 3.28Å; N831-S835 WeakPolarHBondContact O-CB 3.4Å; N831-S835 PolarHBondContact O-N 2.98Å; N831-S835 PolarHBondContact O-OG 3.3Å; K832-S835 WeakPolarHBondContact O-CB 3.46Å; K832-S835 PolarHBondContact O-N 3.11Å; G833-S835 VanDerWaalsContact C-N 3.26Å; G833-S835 PolarHBondContact O-N 3.27Å
836A93.3Very high93.2Very high67 Ų6765.9 Ų65.955%0.55431%0.311SS*.Hα-helixtrans-79.6-47.2-177.700000114K832 G833K832-A836 WeakPolarHBondContact O-CB 3.37Å; K832-A836 PolarHBondContact O-N 3.46Å; G833-A836 PolarHBondContact O-N 3.37Å
837Y93.5Very high93.2Very high104 Ų10467.6 Ų67.641%0.40832%0.32SS..Hα-helixtrans-1104.2-169.9-46.9-60.6000113.7G833 K839 D840 L843 L847G833-Y837 WeakPolarHBondContact O-CA 3.31Å; G833-Y837 WeakPolarHBondContact O-CB 3.25Å; G833-Y837 PolarHBondContact O-N 3.04Å; Y837-K839 PolarHBondContact O-N 3.33Å; Y837-D840 PolarHBondContact O-N 3.2Å; Y837-L843 HydrophobicContact CD1-CB 4.12Å; Y837-L843 HydrophobicContact CD1-CD1 3.74Å; Y837-L843 HydrophobicContact CD2-CB 3.72Å; Y837-L843 HydrophobicContact CE1-CD1 4.26Å; Y837-L843 HydrophobicContact CE2-CB 4.24Å; Y837-L843 HydrophobicContact CG-CB 3.65Å; Y837-L843 HydrophobicContact CG-CD1 4.05Å; Y837-L847 HydrophobicContact CE2-CD2 4.4Å
838R89.8Confident93.3Very high182 Ų18265.8 Ų65.869%0.68731%0.313SS*.THydrogen-bonded Turntrans59.8-83.5176.2-57-53.6-158.9-175.65.7115.2I834I834-R838 WeakPolarHBondContact CD1-O 3.4Å; I834-R838 WeakPolarHBondContact O-CA 3.22Å; I834-R838 PolarHBondContact O-N 3Å; I834-R838 VanDerWaalsContact O-N 3.13Å
839K92.3Very high93.4Very high133 Ų13373 Ų7358%0.57833%0.334SS*.THydrogen-bonded Turntrans-135.813.9-178-64.5-178.4-174.3166.80112.2Y837 F841 Y860Y837-K839 PolarHBondContact O-N 3.33Å; K839-F841 HydrophobicContact CB-CE2 4.08Å; K839-F841 HydrophobicContact CB-CZ 4.46Å; K839-F841 WeakPolarHBondContact O-CD2 3.33Å; K839-F841 WeakPolarHBondContact O-CE2 3.42Å; K839-F841 PolarHBondContact O-N 3.43Å; K839-Y860 WeakPolarHBondContact CE-OH 3.44Å
840D95.1Very high93.4Very high67 Ų6773 Ų7336%0.35834%0.343SS..  trans-73.188.2165.4-170.9-33.6000108.3Y837 F842 L843 V844Y837-D840 PolarHBondContact O-N 3.2Å; D840-F842 PolarHBondContact O-N 2.9Å; D840-F842 WeakPolarHBondContact OD1-CB 3.35Å; D840-F842 PolarHBondContact OD1-N 3.27Å; D840-L843 HydrophobicContact CB-CB 4.18Å; D840-L843 HydrophobicContact CB-CD1 4.2Å; D840-L843 HydrophobicContact CB-CG 4.3Å; D840-L843 PolarHBondContact O-N 3.24Å; D840-L843 PolarHBondContact OD1-N 3.48Å; D840-L843 WeakPolarHBondContact OD2-CD1 3.37Å; D840-L843 WeakPolarHBondContact OD2-CG 3.43Å; D840-V844 VanDerWaalsContact O-CG2 3.26Å; D840-V844 WeakPolarHBondContact O-CG2 3.15Å; D840-V844 PolarHBondContact O-N 3.27Å
841F94.6Very high93.4Very high30 Ų3074 Ų7413%0.13235%0.348CS..Hα-helixtrans-67-15.7-178.4-65.5-75.5000112.8I834 K839 Q845 V853 C856 V857 Y860I834-F841 HydrophobicContact CD1-CE1 4.03Å; K839-F841 HydrophobicContact CB-CE2 4.08Å; K839-F841 HydrophobicContact CB-CZ 4.46Å; K839-F841 WeakPolarHBondContact O-CD2 3.33Å; K839-F841 WeakPolarHBondContact O-CE2 3.42Å; K839-F841 PolarHBondContact O-N 3.43Å; F841-Q845 WeakPolarHBondContact O-CB 3.2Å; F841-Q845 PolarHBondContact O-N 2.93Å; F841-V853 HydrophobicContact CB-CG1 3.84Å; F841-C856 HydrophobicContact CD1-CB 4.43Å; F841-V857 HydrophobicContact CB-CG2 3.99Å; F841-V857 HydrophobicContact CD1-CG2 3.78Å; F841-V857 HydrophobicContact CD2-CG2 3.61Å; F841-V857 HydrophobicContact CE1-CG2 4.13Å; F841-V857 HydrophobicContact CE2-CG2 3.98Å; F841-V857 HydrophobicContact CG-CG2 3.51Å; F841-V857 HydrophobicContact CZ-CG2 4.22Å; F841-Y860 HydrophobicContact CE1-CD1 4.36Å; F841-Y860 HydrophobicContact CE1-CD2 4.47Å; F841-Y860 AromaticContact CE1-CG 3.96Å; F841-Y860 HydrophobicContact CE1-CG 3.96Å; F841-Y860 AromaticContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD2 4.38Å; F841-Y860 HydrophobicContact CZ-CE1 4.34Å; F841-Y860 AromaticContact CZ-CG 3.81Å; F841-Y860 HydrophobicContact CZ-CG 3.81Å
842F96.1Very high93.5Very high138 Ų13876.4 Ų76.461%0.60536%0.363SS*.Hα-helixtrans-76.3-40.4172.1-59.4-81.7000111.3D840 K846 V853D840-F842 PolarHBondContact O-N 2.9Å; D840-F842 WeakPolarHBondContact OD1-CB 3.35Å; D840-F842 PolarHBondContact OD1-N 3.27Å; F842-K846 WeakPolarHBondContact O-CG 3.47Å; F842-K846 PolarHBondContact O-N 2.91Å; F842-V853 HydrophobicContact CD1-CG2 3.8Å; F842-V853 HydrophobicContact CE1-CG1 4.37Å; F842-V853 HydrophobicContact CE1-CG2 4.07Å
843L94.9Very high93.7Very high65 Ų6573.3 Ų73.334%0.3435%0.353SS..Hα-helixtrans-72.2-36.6173.2-66.5179000112.5Y837 D840 K846 L847Y837-L843 HydrophobicContact CD1-CB 4.12Å; Y837-L843 HydrophobicContact CD1-CD1 3.74Å; Y837-L843 HydrophobicContact CD2-CB 3.72Å; Y837-L843 HydrophobicContact CE1-CD1 4.26Å; Y837-L843 HydrophobicContact CE2-CB 4.24Å; Y837-L843 HydrophobicContact CG-CB 3.65Å; Y837-L843 HydrophobicContact CG-CD1 4.05Å; D840-L843 HydrophobicContact CB-CB 4.18Å; D840-L843 HydrophobicContact CB-CD1 4.2Å; D840-L843 HydrophobicContact CB-CG 4.3Å; D840-L843 PolarHBondContact O-N 3.24Å; D840-L843 PolarHBondContact OD1-N 3.48Å; D840-L843 WeakPolarHBondContact OD2-CD1 3.37Å; D840-L843 WeakPolarHBondContact OD2-CG 3.43Å; L843-K846 HydrophobicContact CD2-CD 4.47Å; L843-K846 PolarHBondContact O-N 3.04Å; L843-L847 PolarHBondContact O-N 3.43Å
844V94.8Very high93.7Very high0 Ų076.7 Ų76.70%038%0.381CS..Hα-helixtrans-61.8-46.6171.1176.80000110.4F830 I834 D840 K846 L847 V848F830-V844 HydrophobicContact CD2-CG1 3.64Å; F830-V844 HydrophobicContact CE2-CG1 3.95Å; F830-V844 HydrophobicContact CG-CG1 4.48Å; I834-V844 HydrophobicContact CD1-CG1 4.42Å; I834-V844 HydrophobicContact CD1-CG2 3.87Å; I834-V844 HydrophobicContact CG1-CG2 4.37Å; D840-V844 VanDerWaalsContact O-CG2 3.26Å; D840-V844 WeakPolarHBondContact O-CG2 3.15Å; D840-V844 PolarHBondContact O-N 3.27Å; V844-K846 PolarHBondContact O-N 3.33Å; V844-L847 PolarHBondContact O-N 3.4Å; V844-V848 HydrophobicContact CG1-CG2 4.45Å; V844-V848 PolarHBondContact O-N 3.48Å
845Q95.9Very high93.6Very high48 Ų4877.9 Ų77.922%0.22439%0.387CS..Hα-helixtrans-60.6-42.7177.5-172.5-76.7-32.500111.7F841 L847 V848 R849 K851 V853F841-Q845 WeakPolarHBondContact O-CB 3.2Å; F841-Q845 PolarHBondContact O-N 2.93Å; Q845-L847 PolarHBondContact O-N 3.45Å; Q845-V848 PolarHBondContact O-N 2.97Å; Q845-R849 WeakPolarHBondContact O-CA 3.45Å; Q845-R849 PolarHBondContact O-N 2.96Å; Q845-K851 WeakPolarHBondContact CG-O 3.28Å; Q845-K851 PolarHBondContact NE2-O 2.95Å; Q845-V853 HydrophobicContact CB-CG2 3.92Å; Q845-V853 HydrophobicContact CG-CG2 3.91Å
846K95.1Very high93.8Very high143 Ų14375.4 Ų75.462%0.62237%0.369SS*.Hα-helixtrans-62.1-22.5175-76.7174.7179-1780114.3F842 L843 V844 R849F842-K846 WeakPolarHBondContact O-CG 3.47Å; F842-K846 PolarHBondContact O-N 2.91Å; L843-K846 HydrophobicContact CD2-CD 4.47Å; L843-K846 PolarHBondContact O-N 3.04Å; V844-K846 PolarHBondContact O-N 3.33Å; K846-R849 VanDerWaalsContact O-CG 3.31Å; K846-R849 WeakPolarHBondContact O-CG 3.44Å
847L93.6Very high93.8Very high54 Ų5474.4 Ų74.428%0.28336%0.356SS..Hα-helixtrans-87.4-36.8176-170.363.6000112.6Y829 K832 Y837 L843 V844 Q845Y829-L847 HydrophobicContact CD1-CD1 4.37Å; Y829-L847 HydrophobicContact CD1-CG 4.26Å; Y829-L847 WeakPolarHBondContact O-CD2 3.41Å; K832-L847 HydrophobicContact CB-CD2 4Å; Y837-L847 HydrophobicContact CE2-CD2 4.4Å; L843-L847 PolarHBondContact O-N 3.43Å; V844-L847 PolarHBondContact O-N 3.4Å; Q845-L847 PolarHBondContact O-N 3.45Å
848V93Very high93.7Very high8 Ų871.2 Ų71.25%0.04835%0.345CS..Hα-helixtrans-76.2-35.5175.3178.90000111.8W822 E826 F830 V844 Q845 T850 K851W822-V848 HydrophobicContact CZ3-CG1 4.22Å; E826-V848 HydrophobicContact CB-CG1 4.25Å; E826-V848 HydrophobicContact CG-CG1 4.26Å; F830-V848 HydrophobicContact CB-CG2 3.9Å; V844-V848 HydrophobicContact CG1-CG2 4.45Å; V844-V848 PolarHBondContact O-N 3.48Å; Q845-V848 PolarHBondContact O-N 2.97Å; V848-T850 PolarHBondContact O-N 3.41Å; V848-T850 PolarHBondContact O-OG1 3.12Å; V848-K851 HydrophobicContact CG1-CB 3.93Å; V848-K851 HydrophobicContact CG1-CG 3.86Å
849R92.3Very high93.7Very high202 Ų20263 Ų6376%0.76231%0.314SS*.  trans63.9-48.5178.7-57.7177.2177.4176.7-1.6116.5Q845 K846Q845-R849 WeakPolarHBondContact O-CA 3.45Å; Q845-R849 PolarHBondContact O-N 2.96Å; K846-R849 VanDerWaalsContact O-CG 3.31Å; K846-R849 WeakPolarHBondContact O-CG 3.44Å
850T92.8Very high93.6Very high96 Ų9657.6 Ų57.659%0.58929%0.29SS*.SBendtrans-71.1-30.6-175.152.30000113.8E826 V848E826-T850 VanDerWaalsContact OE1-CB 3.28Å; E826-T850 WeakPolarHBondContact OE1-CB 3.34Å; E826-T850 PolarHBondContact OE1-OG1 3.36Å; V848-T850 PolarHBondContact O-N 3.41Å; V848-T850 PolarHBondContact O-OG1 3.12Å
851K93.3Very high93.3Very high22 Ų2261 Ų6110%0.09630%0.299CS..SBendtrans-94.8156.3-178.8-63-66-167.7-97.30111.5N821 W822 E826 Q845 V848 Q855N821-K851 WeakPolarHBondContact O-CE 3.27Å; N821-K851 PolarHBondContact O-NZ 3.46Å; W822-K851 HydrophobicContact CD2-CG 4.5Å; W822-K851 HydrophobicContact CE3-CG 4.47Å; W822-K851 HydrophobicContact CH2-CB 4.15Å; W822-K851 HydrophobicContact CH2-CG 3.78Å; W822-K851 HydrophobicContact CZ2-CB 4.25Å; W822-K851 HydrophobicContact CZ2-CD 4.12Å; W822-K851 HydrophobicContact CZ2-CG 3.78Å; W822-K851 HydrophobicContact CZ3-CG 4.13Å; E826-K851 IonicContact OE1-NZ 2.96Å; E826-K851 PolarHBondContact OE1-NZ 3.08Å; E826-K851 IonicContact OE2-NZ 3.57Å; E826-K851 PolarHBondContact OE2-NZ 2.9Å; Q845-K851 WeakPolarHBondContact CG-O 3.28Å; Q845-K851 PolarHBondContact NE2-O 2.95Å; V848-K851 HydrophobicContact CG1-CB 3.93Å; V848-K851 HydrophobicContact CG1-CG 3.86Å; K851-Q855 HydrophobicContact CB-CB 4.29Å; K851-Q855 HydrophobicContact CD-CB 4.33Å
852T94.8Very high92.8Very high73 Ų7361.6 Ų61.645%0.44831%0.307SS..  trans-84.8168.4171.270.70000111.7A854 Q855 C856T852-A854 VanDerWaalsContact C-N 3.27Å; T852-A854 PolarHBondContact O-N 3.36Å; T852-A854 PolarHBondContact OG1-N 2.88Å; T852-Q855 PolarHBondContact O-N 3.22Å; T852-Q855 WeakPolarHBondContact OG1-CG 3.49Å; T852-Q855 PolarHBondContact OG1-N 3.39Å; T852-Q855 PolarHBondContact OG1-OE1 3.36Å; T852-C856 WeakPolarHBondContact O-CB 3.36Å; T852-C856 PolarHBondContact O-N 2.9Å; T852-C856 PolarHBondContact O-SG 3.4Å
853V94.8Very high92Very high42 Ų4258 Ų5826%0.25529%0.29SS..Hα-helixtrans-61.6-36.8176-178.40000111.3F841 F842 Q845 C856 V857F841-V853 HydrophobicContact CB-CG1 3.84Å; F842-V853 HydrophobicContact CD1-CG2 3.8Å; F842-V853 HydrophobicContact CE1-CG1 4.37Å; F842-V853 HydrophobicContact CE1-CG2 4.07Å; Q845-V853 HydrophobicContact CB-CG2 3.92Å; Q845-V853 HydrophobicContact CG-CG2 3.91Å; V853-C856 PolarHBondContact O-N 3.3Å; V853-V857 VanDerWaalsContact O-CG2 3.32Å; V853-V857 WeakPolarHBondContact O-CG2 3.49Å; V853-V857 PolarHBondContact O-N 2.96Å
854A94Very high91.3Very high71 Ų7159.1 Ų59.159%0.58729%0.292SS*.Hα-helixtrans-63.8-51178.500000111.7T852 C856 V857 E858T852-A854 VanDerWaalsContact C-N 3.27Å; T852-A854 PolarHBondContact O-N 3.36Å; T852-A854 PolarHBondContact OG1-N 2.88Å; A854-C856 VanDerWaalsContact C-N 3.31Å; A854-C856 PolarHBondContact O-N 3.22Å; A854-V857 WeakPolarHBondContact O-CB 3.44Å; A854-V857 PolarHBondContact O-N 2.97Å; A854-E858 PolarHBondContact O-N 2.98Å
855Q92.3Very high90.1Very high38 Ų3868.9 Ų68.918%0.17834%0.335CS..Hα-helixtrans-59-41.3176.2-64.3172.5-54.300111.4D820 W822 K851 T852 V857 E858 F859D820-Q855 PolarHBondContact OD1-NE2 2.88Å; D820-Q855 WeakPolarHBondContact OD2-CB 3.42Å; D820-Q855 WeakPolarHBondContact OD2-CG 3.48Å; W822-Q855 HydrophobicContact CZ2-CB 4.45Å; K851-Q855 HydrophobicContact CB-CB 4.29Å; K851-Q855 HydrophobicContact CD-CB 4.33Å; T852-Q855 PolarHBondContact O-N 3.22Å; T852-Q855 WeakPolarHBondContact OG1-CG 3.49Å; T852-Q855 PolarHBondContact OG1-N 3.39Å; T852-Q855 PolarHBondContact OG1-OE1 3.36Å; Q855-V857 VanDerWaalsContact C-N 3.33Å; Q855-V857 PolarHBondContact O-N 2.86Å; Q855-E858 PolarHBondContact O-N 3.01Å; Q855-F859 WeakPolarHBondContact O-CB 3.39Å; Q855-F859 PolarHBondContact O-N 2.96Å
856C93.1Very high88.6Confident0 Ų072.4 Ų72.40%035%0.351CS..Hα-helixtrans-62.7-36.6174.7-66.80000112.8F830 F841 T852 V853 A854 Y860F830-C856 HydrophobicContact CE2-CB 4.43Å; F830-C856 WeakPolarHBondContact CE2-O 3.27Å; F841-C856 HydrophobicContact CD1-CB 4.43Å; T852-C856 WeakPolarHBondContact O-CB 3.36Å; T852-C856 PolarHBondContact O-N 2.9Å; T852-C856 PolarHBondContact O-SG 3.4Å; V853-C856 PolarHBondContact O-N 3.3Å; A854-C856 VanDerWaalsContact C-N 3.31Å; A854-C856 PolarHBondContact O-N 3.22Å; C856-Y860 WeakPolarHBondContact O-CB 3.48Å; C856-Y860 PolarHBondContact O-N 3.28Å
857V93.4Very high87Confident47 Ų4767.1 Ų67.129%0.28533%0.331SS..Hα-helixtrans-71.7-41.3174.9169.10000111F841 V853 A854 Q855 Y860 Y861F841-V857 HydrophobicContact CB-CG2 3.99Å; F841-V857 HydrophobicContact CD1-CG2 3.78Å; F841-V857 HydrophobicContact CD2-CG2 3.61Å; F841-V857 HydrophobicContact CE1-CG2 4.13Å; F841-V857 HydrophobicContact CE2-CG2 3.98Å; F841-V857 HydrophobicContact CG-CG2 3.51Å; F841-V857 HydrophobicContact CZ-CG2 4.22Å; V853-V857 VanDerWaalsContact O-CG2 3.32Å; V853-V857 WeakPolarHBondContact O-CG2 3.49Å; V853-V857 PolarHBondContact O-N 2.96Å; A854-V857 WeakPolarHBondContact O-CB 3.44Å; A854-V857 PolarHBondContact O-N 2.97Å; Q855-V857 VanDerWaalsContact C-N 3.33Å; Q855-V857 PolarHBondContact O-N 2.86Å; V857-Y860 WeakPolarHBondContact O-CB 3.26Å; V857-Y860 PolarHBondContact O-N 2.96Å; V857-Y861 HydrophobicContact CG1-CD2 3.98Å; V857-Y861 HydrophobicContact CG1-CE2 4.06Å; V857-Y861 VanDerWaalsContact O-CD2 3.32Å; V857-Y861 WeakPolarHBondContact O-CD2 3.4Å; V857-Y861 PolarHBondContact O-N 3.39Å; V857-Y861 VanDerWaalsContact O-N 3.11Å
858E91.2Very high85.4Confident37 Ų3772.5 Ų72.517%0.17335%0.352CS..Hα-helixtrans-60.7-54.9176.5-169.4-169.6138.300111H815 S817 G818 A854 Q855 Y860 Y861 S862H815-E858 IonicContact CD2-OE2 3.84Å; H815-E858 IonicContact CE1-OE2 2.77Å; H815-E858 IonicContact NE2-OE2 3.52Å; H815-E858 PolarHBondContact NE2-OE2 3.17Å; S817-E858 WeakPolarHBondContact CA-OE1 3.47Å; G818-E858 PolarHBondContact N-OE1 3.37Å; A854-E858 PolarHBondContact O-N 2.98Å; Q855-E858 PolarHBondContact O-N 3.01Å; E858-Y860 PolarHBondContact O-N 3.02Å; E858-Y861 PolarHBondContact O-N 3.48Å; E858-S862 PolarHBondContact O-N 3.05Å; E858-S862 PolarHBondContact O-OG 3.4Å
859F89.9Confident83.6Confident8 Ų876.7 Ų76.74%0.03538%0.377CS..Hα-helixtrans-55.7-39.8177.8-177.4-90.4000112.1W822 K827 F830 Q855 Y861 Y863 F877W822-F859 HydrophobicContact CB-CD2 4.44Å; W822-F859 HydrophobicContact CB-CE2 4.23Å; W822-F859 AromaticContact CD1-CD2 3.79Å; W822-F859 HydrophobicContact CD2-CB 4.35Å; W822-F859 AromaticContact CD2-CD2 3.51Å; W822-F859 HydrophobicContact CD2-CD2 3.51Å; W822-F859 AromaticContact CD2-CE2 3.95Å; W822-F859 HydrophobicContact CD2-CE2 3.95Å; W822-F859 AromaticContact CD2-CG 3.91Å; W822-F859 HydrophobicContact CD2-CG 3.91Å; W822-F859 AromaticContact CE2-CD2 3.59Å; W822-F859 AromaticContact CE2-CG 3.68Å; W822-F859 HydrophobicContact CE3-CD1 4.44Å; W822-F859 HydrophobicContact CE3-CD2 4.05Å; W822-F859 HydrophobicContact CE3-CE2 4.24Å; W822-F859 HydrophobicContact CE3-CG 4.18Å; W822-F859 AromaticContact CG-CD2 3.68Å; W822-F859 HydrophobicContact CG-CD2 3.68Å; W822-F859 AromaticContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CH2-CB 3.96Å; W822-F859 HydrophobicContact CH2-CD1 4.31Å; W822-F859 HydrophobicContact CH2-CG 4.06Å; W822-F859 HydrophobicContact CZ2-CB 3.39Å; W822-F859 HydrophobicContact CZ2-CD1 4.47Å; W822-F859 HydrophobicContact CZ2-CD2 4.18Å; W822-F859 AromaticContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ3-CD1 4.3Å; W822-F859 HydrophobicContact CZ3-CG 4.25Å; W822-F859 AromaticContact NE1-CD2 3.75Å; K827-F859 HydrophobicContact CG-CE2 4.15Å; K827-F859 HydrophobicContact CG-CZ 3.81Å; F830-F859 AromaticContact CD1-CD1 3.66Å; F830-F859 HydrophobicContact CD1-CD1 3.66Å; F830-F859 AromaticContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD1-CE1 3.49Å; F830-F859 VanDerWaalsContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD2-CD1 4.13Å; F830-F859 AromaticContact CE1-CD1 3.53Å; F830-F859 HydrophobicContact CE1-CD1 3.53Å; F830-F859 AromaticContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE2-CD1 4.02Å; F830-F859 AromaticContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CE1 4.06Å; F830-F859 AromaticContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CE1 4.31Å; Q855-F859 WeakPolarHBondContact O-CB 3.39Å; Q855-F859 PolarHBondContact O-N 2.96Å; F859-Y861 PolarHBondContact O-N 3.3Å; F859-Y863 HydrophobicContact CD1-CD2 4.39Å; F859-Y863 AromaticContact CD2-CD2 3.61Å; F859-Y863 HydrophobicContact CD2-CD2 3.61Å; F859-Y863 AromaticContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CE1-CD2 4.14Å; F859-Y863 AromaticContact CE2-CD2 3.31Å; F859-Y863 HydrophobicContact CE2-CD2 3.31Å; F859-Y863 AromaticContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CG 4.38Å; F859-Y863 HydrophobicContact CG-CD2 4.13Å; F859-Y863 AromaticContact CZ-CD2 3.58Å; F859-Y863 HydrophobicContact CZ-CD2 3.58Å; F859-Y863 AromaticContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CG 4.27Å; F859-Y863 PolarHBondContact O-N 3.48Å; F859-Y863 VanDerWaalsContact O-N 3.13Å; F859-F877 HydrophobicContact CE1-CB 3.8Å; F859-F877 HydrophobicContact CZ-CB 4.38Å
860Y90.4Very high82Confident20 Ų2068.4 Ų68.48%0.07835%0.354CS..Hα-helixtrans-54.5-53.5171.1173.6-106.4000111.4F830 I834 K839 F841 C856 V857 E858 K864 F877F830-Y860 HydrophobicContact CZ-CD2 4.47Å; I834-Y860 HydrophobicContact CD1-CD2 4.32Å; K839-Y860 WeakPolarHBondContact CE-OH 3.44Å; F841-Y860 HydrophobicContact CE1-CD1 4.36Å; F841-Y860 HydrophobicContact CE1-CD2 4.47Å; F841-Y860 AromaticContact CE1-CG 3.96Å; F841-Y860 HydrophobicContact CE1-CG 3.96Å; F841-Y860 AromaticContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD2 4.38Å; F841-Y860 HydrophobicContact CZ-CE1 4.34Å; F841-Y860 AromaticContact CZ-CG 3.81Å; F841-Y860 HydrophobicContact CZ-CG 3.81Å; C856-Y860 WeakPolarHBondContact O-CB 3.48Å; C856-Y860 PolarHBondContact O-N 3.28Å; V857-Y860 WeakPolarHBondContact O-CB 3.26Å; V857-Y860 PolarHBondContact O-N 2.96Å; E858-Y860 PolarHBondContact O-N 3.02Å; Y860-K864 HydrophobicContact CE1-CD 3.82Å; Y860-K864 WeakPolarHBondContact O-CA 3.41Å; Y860-K864 WeakPolarHBondContact O-CB 3.29Å; Y860-K864 PolarHBondContact O-N 3.37Å; Y860-K864 WeakPolarHBondContact OH-CE 3.34Å; Y860-K864 PolarHBondContact OH-NZ 2.94Å; Y860-F877 HydrophobicContact CD2-CD1 4.45Å; Y860-F877 AromaticContact CD2-CE1 3.54Å; Y860-F877 HydrophobicContact CD2-CE1 3.54Å; Y860-F877 AromaticContact CD2-CZ 3.79Å; Y860-F877 HydrophobicContact CD2-CZ 3.79Å; Y860-F877 AromaticContact CE2-CE1 3.79Å; Y860-F877 HydrophobicContact CE2-CE1 3.79Å; Y860-F877 AromaticContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CG-CE1 4.49Å
861Y88.8Confident80Confident139 Ų13975.7 Ų75.755%0.54537%0.371SS..Hα-helixtrans-71.2-39.4-175.9-84-80.4000113.7V857 E858 F859 Y863 K864V857-Y861 HydrophobicContact CG1-CD2 3.98Å; V857-Y861 HydrophobicContact CG1-CE2 4.06Å; V857-Y861 VanDerWaalsContact O-CD2 3.32Å; V857-Y861 WeakPolarHBondContact O-CD2 3.4Å; V857-Y861 PolarHBondContact O-N 3.39Å; V857-Y861 VanDerWaalsContact O-N 3.11Å; E858-Y861 PolarHBondContact O-N 3.48Å; F859-Y861 PolarHBondContact O-N 3.3Å; Y861-Y863 PolarHBondContact O-N 3.04Å; Y861-K864 HydrophobicContact CD1-CD 4.23Å; Y861-K864 HydrophobicContact CE1-CD 4.4Å; Y861-K864 PolarHBondContact O-N 3.39Å
862S84.4Confident78Confident43 Ų4381 Ų8130%0.30140%0.401SS..Hα-helixtrans-59.8-45.7177.5-640000111.6E858E858-S862 PolarHBondContact O-N 3.05Å; E858-S862 PolarHBondContact O-OG 3.4Å
863Y78.8Confident76Confident61 Ų6180 Ų8024%0.23941%0.405CS..Hα-helixtrans-87.8-15178.3-72.6-77.2000114.7F859 Y861 K865 Q866 V867F859-Y863 HydrophobicContact CD1-CD2 4.39Å; F859-Y863 AromaticContact CD2-CD2 3.61Å; F859-Y863 HydrophobicContact CD2-CD2 3.61Å; F859-Y863 AromaticContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CE1-CD2 4.14Å; F859-Y863 AromaticContact CE2-CD2 3.31Å; F859-Y863 HydrophobicContact CE2-CD2 3.31Å; F859-Y863 AromaticContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CG 4.38Å; F859-Y863 HydrophobicContact CG-CD2 4.13Å; F859-Y863 AromaticContact CZ-CD2 3.58Å; F859-Y863 HydrophobicContact CZ-CD2 3.58Å; F859-Y863 AromaticContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CG 4.27Å; F859-Y863 PolarHBondContact O-N 3.48Å; F859-Y863 VanDerWaalsContact O-N 3.13Å; Y861-Y863 PolarHBondContact O-N 3.04Å; Y863-K865 PolarHBondContact O-N 3.5Å; Y863-K865 VanDerWaalsContact O-N 3.08Å; Y863-Q866 HydrophobicContact CD1-CB 4.31Å; Y863-Q866 CarbonylContact O-C 3.47Å; Y863-Q866 WeakPolarHBondContact O-CA 3.4Å; Y863-Q866 WeakPolarHBondContact O-CB 3.44Å; Y863-Q866 PolarHBondContact O-N 3.4Å; Y863-V867 WeakPolarHBondContact O-CG2 3.48Å; Y863-V867 PolarHBondContact O-N 3.47Å
864K81.4Confident74.4Confident89 Ų8982 Ų8239%0.38741%0.414SS..Hα-helixtrans-50.8-36.6-179.5-175.2172.1-177.6171.50115Y860 Y861 F877Y860-K864 HydrophobicContact CE1-CD 3.82Å; Y860-K864 WeakPolarHBondContact O-CA 3.41Å; Y860-K864 WeakPolarHBondContact O-CB 3.29Å; Y860-K864 PolarHBondContact O-N 3.37Å; Y860-K864 WeakPolarHBondContact OH-CE 3.34Å; Y860-K864 PolarHBondContact OH-NZ 2.94Å; Y861-K864 HydrophobicContact CD1-CD 4.23Å; Y861-K864 HydrophobicContact CE1-CD 4.4Å; Y861-K864 PolarHBondContact O-N 3.39Å; K864-F877 HydrophobicContact CB-CE1 4.5Å
865K68.7Low72.8Confident205 Ų20582.5 Ų82.589%0.89141%0.406SS*.THydrogen-bonded Turntrans-78.6-23176.7-66.1178.2-176.9170.10112.9Y863Y863-K865 PolarHBondContact O-N 3.5Å; Y863-K865 VanDerWaalsContact O-N 3.08Å
866Q64.1Low71.6Confident123 Ų12383.1 Ų83.158%0.57541%0.412SS*.THydrogen-bonded Turntrans-93.9-8.4-178.6-53.2-171.318.800113.1Y863 K868Y863-Q866 HydrophobicContact CD1-CB 4.31Å; Y863-Q866 CarbonylContact O-C 3.47Å; Y863-Q866 WeakPolarHBondContact O-CA 3.4Å; Y863-Q866 WeakPolarHBondContact O-CB 3.44Å; Y863-Q866 PolarHBondContact O-N 3.4Å; Q866-K868 PolarHBondContact O-N 3Å
867V63.1Low70.3Confident31 Ų3183.4 Ų83.419%0.18841%0.413CS..  trans-54.5104.2179.31770000110.3Y863 L875 F877Y863-V867 WeakPolarHBondContact O-CG2 3.48Å; Y863-V867 PolarHBondContact O-N 3.47Å; V867-L875 HydrophobicContact CG1-CB 3.67Å; V867-L875 HydrophobicContact CG1-CD2 3.77Å; V867-L875 HydrophobicContact CG1-CG 4.16Å; V867-F877 HydrophobicContact CG2-CD1 3.6Å; V867-F877 HydrophobicContact CG2-CD2 4.12Å; V867-F877 HydrophobicContact CG2-CE1 3.44Å; V867-F877 VanDerWaalsContact CG2-CE1 3.44Å; V867-F877 HydrophobicContact CG2-CE2 3.97Å; V867-F877 HydrophobicContact CG2-CG 3.93Å; V867-F877 HydrophobicContact CG2-CZ 3.63Å
868K58.7Low68.9Low167 Ų16781.9 Ų81.973%0.72641%0.408SS*.EExtended strand (participates in β ladder)trans-81.5116.3165.2-68.1167.5-173.31700106.1Q866 G870Q866-K868 PolarHBondContact O-N 3Å; K868-G870 PolarHBondContact O-N 3.28Å; K868-G870 VanDerWaalsContact O-N 3.11Å
869V56.1Low67.2Low97 Ų9784.2 Ų84.259%0.58843%0.426SS*.EExtended strand (participates in β ladder)trans-60.1116.7168.6-174.90000106.7L875V869-L875 HydrophobicContact CG2-CD2 3.89Å
870G57.6Low65.4Low27 Ų2788.6 Ų88.628%0.27846%0.455SS..PPolyproline II helixtrans-64.7165.317800000111.1K868 N872 G873 I874K868-G870 PolarHBondContact O-N 3.28Å; K868-G870 VanDerWaalsContact O-N 3.11Å; G870-N872 PolarHBondContact O-N 2.97Å; G870-G873 PolarHBondContact O-N 3.34Å; G870-I874 PolarHBondContact N-O 3.47Å
871R50.7Low63.3Low249 Ų24993.1 Ų93.194%0.9448%0.481SS*.THydrogen-bonded Turntrans-53.6-17.6172.2-67.4178.1176.4151.6-4.4113.1
872N51.2Low60.7Low134 Ų13490.9 Ų90.972%0.71749%0.486SS*.THydrogen-bonded Turntrans-94.81-176.5-44.214.2000113.1G870 I874G870-N872 PolarHBondContact O-N 2.97Å; N872-I874 HydrophobicContact CB-CD1 4.24Å; N872-I874 HydrophobicContact CB-CG1 4.24Å; N872-I874 PolarHBondContact O-N 3.28Å; N872-I874 VanDerWaalsContact O-N 3.15Å
873G53.7Low58.6Low53 Ų5395.1 Ų95.155%0.54651%0.512SS..SBendtrans74.3-8.8-171.700000115.3G870G870-G873 PolarHBondContact O-N 3.34Å
874I60.8Low56.5Low84 Ų8498.2 Ų98.243%0.43154%0.537SS..  trans-69139176.4-61.8173.4000110G870 N872 T876G870-I874 PolarHBondContact N-O 3.47Å; N872-I874 HydrophobicContact CB-CD1 4.24Å; N872-I874 HydrophobicContact CB-CG1 4.24Å; N872-I874 PolarHBondContact O-N 3.28Å; N872-I874 VanDerWaalsContact O-N 3.15Å; I874-T876 PolarHBondContact O-N 2.95Å
875L61.3Low54.2Low80 Ų80103 Ų10342%0.41956%0.561SS.*EExtended strand (participates in β ladder)trans-87.3101.6174.9-58.8-170.4000109.3N831 V867 V869 F877N831-L875 PolarHBondContact OD1-O 2.87Å; V867-L875 HydrophobicContact CG1-CB 3.67Å; V867-L875 HydrophobicContact CG1-CD2 3.77Å; V867-L875 HydrophobicContact CG1-CG 4.16Å; V869-L875 HydrophobicContact CG2-CD2 3.89Å; L875-F877 HydrophobicContact CB-CD2 4.48Å; L875-F877 HydrophobicContact CB-CE2 3.81Å; L875-F877 WeakPolarHBondContact O-CD2 3.28Å
876T67.1Low52.6Low52 Ų52102.9 Ų102.932%0.31956%0.56SS.*EExtended strand (participates in β ladder)trans-87.1122.3174.2-53.50000110.1I874I874-T876 PolarHBondContact O-N 2.95Å
877F65.9Low50.9Low5 Ų5105.8 Ų105.82%0.02257%0.573CS.*  trans-100.1130171.7-63.5-109.1000108.8F830 N831 I834 F859 Y860 K864 V867 L875F830-F877 HydrophobicContact CD1-CB 4.29Å; F830-F877 HydrophobicContact CE1-CB 3.95Å; F830-F877 HydrophobicContact CE1-CD1 4.17Å; F830-F877 HydrophobicContact CE1-CD2 4.19Å; F830-F877 AromaticContact CE1-CG 3.87Å; F830-F877 HydrophobicContact CE1-CG 3.87Å; N831-F877 PolarHBondContact ND2-O 3.3Å; N831-F877 WeakPolarHBondContact OD1-CD2 3.48Å; N831-F877 PolarHBondContact OD1-N 3.02Å; I834-F877 HydrophobicContact CG2-CE2 3.89Å; I834-F877 HydrophobicContact CG2-CZ 4.34Å; F859-F877 HydrophobicContact CE1-CB 3.8Å; F859-F877 HydrophobicContact CZ-CB 4.38Å; Y860-F877 HydrophobicContact CD2-CD1 4.45Å; Y860-F877 AromaticContact CD2-CE1 3.54Å; Y860-F877 HydrophobicContact CD2-CE1 3.54Å; Y860-F877 AromaticContact CD2-CZ 3.79Å; Y860-F877 HydrophobicContact CD2-CZ 3.79Å; Y860-F877 AromaticContact CE2-CE1 3.79Å; Y860-F877 HydrophobicContact CE2-CE1 3.79Å; Y860-F877 AromaticContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CG-CE1 4.49Å; K864-F877 HydrophobicContact CB-CE1 4.5Å; V867-F877 HydrophobicContact CG2-CD1 3.6Å; V867-F877 HydrophobicContact CG2-CD2 4.12Å; V867-F877 HydrophobicContact CG2-CE1 3.44Å; V867-F877 VanDerWaalsContact CG2-CE1 3.44Å; V867-F877 HydrophobicContact CG2-CE2 3.97Å; V867-F877 HydrophobicContact CG2-CG 3.93Å; V867-F877 HydrophobicContact CG2-CZ 3.63Å; L875-F877 HydrophobicContact CB-CD2 4.48Å; L875-F877 HydrophobicContact CB-CE2 3.81Å; L875-F877 WeakPolarHBondContact O-CD2 3.28Å
878G62.4Low49.4Very low16 Ų16109.1 Ų109.117%0.16560%0.598CS.*SBendtrans93.6173.2-16900000113.5
879P56.5Low48.1Very low85 Ų85110.4 Ų110.455%0.55261%0.607SS**PPolyproline II helixtrans-60145.6170-19.632.7000110.8
880P51.6Low46.9Very low101 Ų101110.1 Ų110.166%0.65662%0.615SS**PPolyproline II helixtrans-69.8132.4167.130.7-32.5000109.1
881D45.5Very low45.8Very low114 Ų114115.4 Ų115.461%0.6164%0.641SS**PPolyproline II helixtrans-61.6146.1177.8-56-71.8000111.5
882S35.3Very low45.1Very low93 Ų93109.4 Ų109.465%0.6563%0.632SS**PPolyproline II helixtrans-62.4145.2-179.9-169.50000110.6V884S882-V884 PolarHBondContact O-N 3.03Å
883P40Very low44Very low131 Ų131109 Ų10985%0.85163%0.629SS**SBendtrans-76.554.7-177.533.7-38.2000113
884V33.8Very low42.8Very low126 Ų126113.8 Ų113.876%0.76465%0.648SS**  trans-119.844.7178.9-164.30000110.2S882S882-V884 PolarHBondContact O-N 3.03Å
885E33.8Very low41.6Very low190 Ų190118.6 Ų118.689%0.88867%0.666SS**  trans-141.361.1162.6-151.1168.2-138.100110.6
886K34.7Very low39.8Very low202 Ų202120.5 Ų120.588%0.87869%0.686SS**  trans-114.384.7156.4-79.4-172.9174.7-176.50107.4
887H29.5Very low37.8Very low184 Ų184121.8 Ų121.885%0.85270%0.697SS**  trans-70.2136.6166.5-134.3-88.1000109.4
888S30.9Very low36Very low101 Ų101130.3 Ų130.371%0.70674%0.736SS**  trans-98.3126.9-174.2520000110.9
889E31.2Very low34.1Very low195 Ų195135.2 Ų135.291%0.91176%0.755SS**  trans-126.8109.8163.8-68.3-166.6148.900109.4
890A31.8Very low33Very low91 Ų91135.8 Ų135.875%0.75276%0.759SS**  trans-162.861176.100000113.5
891V33.6Very low31.6Very low137 Ų137139.1 Ų139.183%0.8376%0.758SS**  trans70.3152.8151.1-175.60000114.9
892V35.6Very low30.8Very low123 Ų123137.5 Ų137.575%0.74575%0.749SS**  cis-132.3135.915-118.60000108.4
893D28.4Very low30.4Very low125 Ų125137.8 Ų137.867%0.66874%0.74SS**  71.4112.781.1-171.237.4000117.2
894V29.9Very low29.7Very low154 Ų154140 Ų14093%0.93374%0.739SS**  trans-146.7145.6140.4175.40000107.4
895K34Very low29.6Very low186 Ų186141 Ų14181%0.80974%0.74SS**  trans-134.3118.5-157.8173.7-175.3179.5178.30114.3
896S24.1Very low29.3Very low120 Ų120138.3 Ų138.384%0.83973%0.728SS**  trans-179153.3160.3-171.50000111.1
897S25.7Very low29.1Very low79 Ų79136.6 Ų136.655%0.55272%0.72SS**  cis-169.9148.3-41.4-163.70000109.1
898H27.9Very low29Very low183 Ų183135.6 Ų135.685%0.84771%0.713SS**  trans74.8142.6166.6-47.8-65.4000122.6
899Q22.1Very low28.6Very low119 Ų119138.4 Ų138.456%0.55672%0.715SS**  trans-97.6-164.2164.8-51.6-170.226.200110.4
900P33.4Very low28.3Very low97 Ų97133 Ų13363%0.6370%0.704SS**  cis-126.9-155.1-440.1-17.6000113.1
901R23.4Very low27.9Very low171 Ų171134.4 Ų134.465%0.64571%0.709SS**  cis-146-133.112.6-163.5-178159.9106.1-1.8110.5R409 R410R409-R901 CarbonylContact C-O 3.4Å; R409-R901 VanDerWaalsContact CB-O 3.27Å; R409-R901 WeakPolarHBondContact CB-O 3.34Å; R409-R901 VanDerWaalsContact CG-C 3.48Å; R409-R901 WeakPolarHBondContact CG-O 3.49Å; R410-R901 CarbonylContact C-O 3.18Å; R410-R901 PolarHBondContact N-O 3.4Å; R410-R901 CarbonylContact O-C 3.57Å; R410-R901 VanDerWaalsContact O-C 3.3Å
902L28Very low27.4Very low80 Ų80135.6 Ų135.642%0.41970%0.703SS.*  trans-122.9161-170.264105.7000114.2R409 R410 S411R409-L902 VanDerWaalsContact CB-C 3.4Å; R409-L902 WeakPolarHBondContact CD-O 3.44Å; R410-L902 VanDerWaalsContact C-CA 3.49Å; R410-L902 WeakPolarHBondContact O-CA 3.39Å; R410-L902 WeakPolarHBondContact O-CB 3.48Å; R410-L902 PolarHBondContact O-N 2.95Å; S411-L902 WeakPolarHBondContact O-CB 3.43Å; S411-L902 WeakPolarHBondContact O-CD2 3.38Å
903E26.2Very low27Very low100 Ų100138.8 Ų138.847%0.46770%0.703SS.*  cis-170-161.5-21.7-177.9144.2-104.600108.7R410 S411 R412R410-E903 WeakPolarHBondContact CA-OE1 3.43Å; S411-E903 WeakPolarHBondContact CA-OE2 3.43Å; S411-E903 PolarHBondContact N-OE1 3.03Å; S411-E903 PolarHBondContact N-OE2 2.95Å; R412-E903 PolarHBondContact N-OE2 3Å
904E26.9Very low26.7Very low178 Ų178139.5 Ų139.583%0.83271%0.707SS**  trans78155.4160.9-75.3169.6169.900120.7
905D30.4Very low26.4Very low145 Ų145138.3 Ų138.378%0.77570%0.695SS**  cis-166.1175.3-15.7-17325.5000112.3
906E28.6Very low26Very low135 Ų135133.6 Ų133.663%0.63169%0.686SS**  trans69.4155.6170.2-68-150106.200119.3
907K28.7Very low26.1Very low166 Ų166136.1 Ų136.172%0.72268%0.684SS**  cis-150.8-176.114.7-142.5164.8-175.574.10114.2
908K28.1Very low26.2Very low162 Ų162140.1 Ų140.170%0.70469%0.693SS**  trans-80.1159.8-165.9-75.1156153.9-88.90118.9
909E22.9Very low26.1Very low160 Ų160136.2 Ų136.275%0.74868%0.683SS**  trans36.1148.1132.9-49.9168.898.700120.1
910A24.5Very low26.3Very low83 Ų83136.7 Ų136.769%0.68669%0.689SS**  cis-169.916130.200000114.6
911S22.9Very low26.1Very low120 Ų120139 Ų13984%0.83969%0.691SS**  trans68.2165.8150.584.60000117.9
912F23.2Very low26.3Very low162 Ų162139.7 Ų139.771%0.71170%0.699SS**  cis-159.1153.8-5.3-157.4-165.8000111.1
913Y27.1Very low26.4Very low189 Ų189140.1 Ų140.174%0.74171%0.714SS**  trans54172.1173.2-70.6-59.7000117.9
914D22.8Very low26.6Very low141 Ų141146.5 Ų146.575%0.75473%0.734SS**  cis163.6165.6-43.9-171.622.6000108.6
915D23.2Very low26.7Very low129 Ų129143.3 Ų143.369%0.6973%0.726SS**  trans66.694.3167.9-148.245.1000120.9
916S25.9Very low26.9Very low87 Ų87142.5 Ų142.561%0.60873%0.727SS**  62152119.8-52.40000125.4
917H27.3Very low27.2Very low173 Ų173143.3 Ų143.380%0.80173%0.731SS**  trans71.794156.6-76.2-67.2000121.9
918E26.6Very low27.3Very low162 Ų162139.7 Ų139.776%0.75773%0.726SS**  57.2151.1108.1-113.7-66.984.300122.9
919T27Very low27.6Very low101 Ų101138.1 Ų138.162%0.6272%0.724SS**  trans81.275.3154.7-380000119.6
920N25.5Very low27.9Very low130 Ų130138.2 Ų138.270%0.69573%0.725SS**  76139.1115.7-143.6-28.9000122.3
921Q28.8Very low28.2Very low144 Ų144137.7 Ų137.767%0.67372%0.72SS**  trans75.796.6144.5-114.2169.794.100122.6
922K27.9Very low28.5Very low187 Ų187139.9 Ų139.981%0.81372%0.717SS**  167128.7112.5-85146.6-165.3159.10108.8
923A29.8Very low28.6Very low88 Ų88137.8 Ų137.873%0.72771%0.713SS**  cis70.1105.634.400000115.2
924R30Very low28.9Very low235 Ų235138.3 Ų138.389%0.88772%0.715SS**  -177.4129.3115.5-96.4-174176.5-168.4-2110.7
925V30.7Very low29.2Very low111 Ų111137.1 Ų137.167%0.67371%0.713SS**  72.8120.978.1170.30000113.5
926T33.9Very low29.3Very low127 Ų127138 Ų13878%0.77972%0.723SS**  -173.4149.3118.735.90000110.6
927Q33.8Very low29.3Very low153 Ų153137.4 Ų137.472%0.71573%0.731SS**  cis-171.6163.8-25.8-151-179.6-19.300111.5
928S32.2Very low29.4Very low89 Ų89136 Ų13662%0.62274%0.735SS**  trans88.1140.2143.8-59.80000119.4
929L33.8Very low29.4Very low129 Ų129135.5 Ų135.568%0.67574%0.742SS**  cis-156.5-169.7-12.7-106.2172000106.5
930Q29.3Very low29.5Very low163 Ų163138.4 Ų138.476%0.76275%0.753SS**  cis-154.6133.59.5-135.7129.1-18.800105.4
931A29.9Very low29.6Very low71 Ų71139.1 Ų139.159%0.58776%0.762SS**  78.5136.667.600000114.9
932H29Very low29.7Very low167 Ų167140 Ų14077%0.77377%0.769SS**  cis-160.5-179.4-4-120.8-44.1000113.3
933D26.2Very low29.6Very low117 Ų117140.7 Ų140.763%0.62677%0.773SS**  trans-80.8-171.7-171.8-41-99.7000114.1V935D933-V935 HydrophobicContact CB-CG2 4.45Å
934Y32.5Very low29.3Very low200 Ų200144.8 Ų144.878%0.78478%0.777SS**  -153.1140.257.2-97.6-112.2000109.7
935V29.1Very low29.9Very low116 Ų116137.9 Ų137.970%0.70376%0.762SS**  85141.562.7167.70000114.6D933D933-V935 HydrophobicContact CB-CG2 4.45Å
936T25.4Very low29.6Very low148 Ų148139.8 Ų139.891%0.90877%0.769SS**  trans-134.2140.8-178.7-60.80000110.6
937G27.7Very low29.3Very low75 Ų75137.2 Ų137.277%0.77376%0.76SS**  trans139.9125.4163.500000115
938T29.4Very low28.8Very low143 Ų143138.9 Ų138.988%0.87777%0.77SS**  trans-116.9140.3-179.745.80000112.5
939V25.1Very low28.5Very low151 Ų151138.1 Ų138.192%0.91578%0.776SS**  trans-138.2152.7158.5-178.60000108.9
940L30.5Very low28.1Very low162 Ų162142.7 Ų142.785%0.84879%0.785SS**  trans-83.9156.7-168.8-61.1157.6000114
941V27.1Very low27.9Very low145 Ų145142 Ų14288%0.87978%0.782SS**  -165161.1124.6137.10000110.7
942I30.1Very low27.8Very low162 Ų162142.2 Ų142.283%0.83178%0.783SS**  trans-92143.3-163-63.5150.8000112.7
943K25.8Very low27.9Very low203 Ų203141.5 Ų141.588%0.88378%0.78SS**  176.2143.1120.3-164.2158.2-179.1-177.90114.3
944E24.1Very low27.9Very low174 Ų174144.2 Ų144.281%0.81379%0.789SS**  trans-101.4-177.7175.3-115.3-161.5150.900111.3
945P43Very low27.5Very low90 Ų90140.3 Ų140.358%0.58479%0.791SS**  cis-137.5-168.49.940-19.2000116.6
946D24.3Very low27.4Very low150 Ų150140.2 Ų140.280%0.80280%0.795SS**  trans73.3149.7151-68.3-27.4000121.4
947A26.4Very low27.4Very low73 Ų73138.3 Ų138.360%0.60378%0.783SS**  cis-169.4147.1-21.600000112.2
948M24.2Very low27.8Very low188 Ų188140.4 Ų140.493%0.92678%0.783SS**  trans57.6132.4165.5-80.556173.400118.7
949G25.1Very low27.7Very low73 Ų73139.7 Ų139.775%0.75377%0.769SS**  cis-156.1-135.53.800000111.2
950R26.2Very low27.8Very low225 Ų225142.1 Ų142.185%0.84976%0.762SS**  cis-157.8-149.6-1.2-114.6-70.4174.7175.3-1.5108.7
951E25.1Very low27.6Very low150 Ų150139 Ų13970%0.70175%0.754SS**  trans-107.3172.9-171-70.4148.9132.500113.7
952A27.2Very low27.5Very low75 Ų75143.5 Ų143.562%0.6276%0.755SS**  cis-172.5158.6-24.100000106.9
953H30.7Very low27.4Very low152 Ų152139.3 Ų139.370%0.70475%0.745SS**  -168.5146.961.1-98.1-103.2000112.3
954Q26.8Very low27.4Very low174 Ų174138.9 Ų138.981%0.81375%0.746SS**  trans31.4144.3132.2-61.1162-1000121
955S25.1Very low27.7Very low118 Ų118135.1 Ų135.183%0.82574%0.744SS**  cis-149.5174.614.965.80000110
956S25.8Very low27.1Very low113 Ų113135.8 Ų135.879%0.7976%0.757SS**  cis-146.5-174.525.463.10000114.2
957V26.1Very low27.3Very low108 Ų108133 Ų13366%0.65576%0.755SS**  trans-150.9149-154.91680000108.2
958P35.6Very low27.8Very low119 Ų119138.8 Ų138.877%0.77377%0.767SS**  cis-127.5151.843.118.67.3000116.7
959H28.3Very low28.2Very low128 Ų128139.5 Ų139.559%0.59377%0.765SS**  73141.257.3-75.70.5000114.7
960R25.3Very low28.8Very low203 Ų203141.9 Ų141.977%0.76677%0.767SS**  cis-166.9173-3.6-108.7179.2-154-154.911.2106.7
961S27.6Very low29.1Very low96 Ų96140.5 Ų140.567%0.67177%0.767SS**  cis-167.3128.3-9.239.40000107
962R24.3Very low29.8Very low240 Ų240138.5 Ų138.591%0.90677%0.767SS**  68.6128.487.5180173.2179.7170.82.8117
963A27.5Very low30.7Very low74 Ų74140.4 Ų140.461%0.61277%0.773SS**  trans74.5107.1154.600000122.2
964E27.7Very low31Very low193 Ų193139.1 Ų139.190%0.90278%0.778SS**  42.5118.8109.2-170.4176.2-165.500121.5
965A29.1Very low31.5Very low95 Ų95140.1 Ų140.179%0.78578%0.78SS**  -178.3133.1126.600000114.3
966A30.5Very low32.5Very low104 Ų104139.8 Ų139.886%0.8678%0.775SS**  trans53147.814800000125
967A29.4Very low33.3Very low91 Ų91140.7 Ų140.775%0.75278%0.778SS**  trans87.491.9146.300000123.5
968K36.7Very low33.9Very low195 Ų195142.4 Ų142.485%0.84878%0.779SS**  64.3126.2129.1-66.9-180178.1175.80122.2
969K32.7Very low34.4Very low204 Ų204143 Ų14389%0.88778%0.775SS**  trans75.8159.6159.5-61.1178.3178.9-1780117
970P36.7Very low35.7Very low122 Ų122142.7 Ų142.779%0.79279%0.785SS**  cis-123.8-178.2-15.434.1-15.7000114.5
971K33.8Very low37.2Very low196 Ų196138.9 Ų138.985%0.85278%0.78SS**PPolyproline II helixtrans-68.9138.2173.9179.1-178.3-179.9179.40112.1
972P39.3Very low39.2Very low108 Ų108138.4 Ų138.470%0.70177%0.767SS**PPolyproline II helixtrans-72.8154174.230.2-34.8000112.6
973P44.8Very low41.9Very low115 Ų115130.7 Ų130.775%0.74775%0.747SS**PPolyproline II helixtrans-76.4160.2-172.931.1-36.4000114
974P38.4Very low44.7Very low126 Ų126129.5 Ų129.582%0.81873%0.728SS**PPolyproline II helixtrans-64.9149.2169.929.7-35.2000111.4
975K37.4Very low47.6Very low195 Ų195123.6 Ų123.685%0.84871%0.706SS**PPolyproline II helixtrans-73.1149.1176.7-66.3-176.6178.6-176.90111.2
976P45.2Very low50.5Low110 Ų110119.2 Ų119.271%0.71467%0.67SS**PPolyproline II helixtrans-65.9167172.329.8-36.1000112
977P42.7Very low53.1Low132 Ų132123.4 Ų123.486%0.85767%0.668SS**PPolyproline II helixtrans-56.4140178.1-24.234.8000112.7
978Q40Very low55.8Low144 Ų144124.5 Ų124.567%0.67366%0.656SS**PPolyproline II helixtrans-77.3144.7177.4-71.5173.3-76.200111.7E982Q978-E982 PolarHBondContact NE2-OE1 3.35Å; Q978-E982 PolarHBondContact NE2-OE2 3.09Å
979D44.5Very low58.2Low131 Ų131117.9 Ų117.970%0.70163%0.634SS**PPolyproline II helixtrans-54.7143.7170.8-104.1-69.6000112.3N981D979-N981 PolarHBondContact O-N 3.38Å
980P56.3Low60.8Low122 Ų122110.7 Ų110.779%0.79262%0.617SS**THydrogen-bonded Turntrans-70.57.3179.729.8-35.7000114.8
981N57Low63.2Low123 Ų123112.8 Ų112.866%0.65861%0.61SS**THydrogen-bonded Turntrans-124.740.6-175.2-85.1-34.2000113.4D979 V983D979-N981 PolarHBondContact O-N 3.38Å; N981-V983 WeakPolarHBondContact O-CG2 3.47Å; N981-V983 PolarHBondContact O-N 3.42Å
982E68.6Low65.9Low86 Ų86107.2 Ų107.240%0.40259%0.592SS.*  trans-70.2117.6166.1-72.3-157156.400111.7Q978 F984Q978-E982 PolarHBondContact NE2-OE1 3.35Å; Q978-E982 PolarHBondContact NE2-OE2 3.09Å; E982-F984 HydrophobicContact CB-CE1 4.05Å; E982-F984 HydrophobicContact CB-CE2 3.77Å; E982-F984 HydrophobicContact CB-CZ 3.4Å; E982-F984 VanDerWaalsContact CB-CZ 3.4Å; E982-F984 HydrophobicContact CG-CZ 4.41Å; E982-F984 WeakPolarHBondContact O-CD2 3.35Å; E982-F984 WeakPolarHBondContact O-CE2 3.49Å; E982-F984 VanDerWaalsContact OE2-CZ 3.29Å; E982-F984 WeakPolarHBondContact OE2-CZ 3.44Å
983V82.1Confident68.2Low79 Ų79104 Ų10448%0.47957%0.567SS.*  trans-102.5115.1-173.4-179.40000109.7N981 P985 V992N981-V983 WeakPolarHBondContact O-CG2 3.47Å; N981-V983 PolarHBondContact O-N 3.42Å; V983-P985 WeakPolarHBondContact O-CD 3.49Å; V983-V992 HydrophobicContact CG1-CB 4.46Å; V983-V992 HydrophobicContact CG1-CG1 3.3Å; V983-V992 HydrophobicContact CG1-CG2 4.38Å
984F85.2Confident70.2Confident48 Ų48104.9 Ų104.921%0.21156%0.561CS.*EExtended strand (participates in β ladder)trans-109.298.8-172.2-51.3-80.6000112.8E982 F993 V996 R999E982-F984 HydrophobicContact CB-CE1 4.05Å; E982-F984 HydrophobicContact CB-CE2 3.77Å; E982-F984 HydrophobicContact CB-CZ 3.4Å; E982-F984 VanDerWaalsContact CB-CZ 3.4Å; E982-F984 HydrophobicContact CG-CZ 4.41Å; E982-F984 WeakPolarHBondContact O-CD2 3.35Å; E982-F984 WeakPolarHBondContact O-CE2 3.49Å; E982-F984 VanDerWaalsContact OE2-CZ 3.29Å; E982-F984 WeakPolarHBondContact OE2-CZ 3.44Å; F984-F993 WeakPolarHBondContact CA-O 3.32Å; F984-F993 WeakPolarHBondContact CB-O 3.38Å; F984-F993 WeakPolarHBondContact CD2-O 3.4Å; F984-F993 PolarHBondContact N-O 3.45Å; F984-F993 PolarHBondContact O-N 3.05Å; F984-V996 HydrophobicContact CD1-CG2 3.95Å; F984-V996 HydrophobicContact CD2-CG2 4Å; F984-V996 HydrophobicContact CE1-CG2 3.58Å; F984-V996 HydrophobicContact CE2-CG2 3.65Å; F984-V996 HydrophobicContact CG-CG2 4.14Å; F984-V996 HydrophobicContact CZ-CG2 3.41Å; F984-V996 VanDerWaalsContact CZ-CG2 3.41Å; F984-R999 HydrophobicContact CB-CB 4.45Å; F984-R999 VanDerWaalsContact CB-CD 3.5Å
985P89.4Confident72.6Confident69 Ų69106.2 Ų106.245%0.44855%0.554SS.*EExtended strand (participates in β ladder)trans-81.1141.5179.930.6-35.5000114.1V983 V992 R999V983-P985 WeakPolarHBondContact O-CD 3.49Å; P985-V992 HydrophobicContact CB-CG2 4.29Å; P985-R999 PolarHBondContact O-NE 3.32Å; P985-R999 PolarHBondContact O-NH2 3.2Å
986C89.8Confident75Confident4 Ų4100.6 Ų100.63%0.02754%0.536CS..  trans-75125.7173.9-179.30000111.8K988 G990 R991 F993 H1002C986-K988 VanDerWaalsContact C-N 3.26Å; C986-K988 PolarHBondContact O-N 3.41Å; C986-G990 WeakPolarHBondContact O-CA 3.49Å; C986-G990 PolarHBondContact O-N 3.34Å; C986-R991 WeakPolarHBondContact CB-O 3.31Å; C986-R991 PolarHBondContact N-O 3.4Å; C986-F993 HydrophobicContact CB-CE2 4.21Å; C986-H1002 VanDerWaalsContact SG-CD2 3.51Å; C986-H1002 PolarHBondContact SG-NE2 2.97Å
987K85.6Confident77Confident191 Ų191104.2 Ų104.283%0.8354%0.54SS*.THydrogen-bonded Turntrans-71-12.8-179-70-170.2174.9-170.20114.8
988K84.9Confident79.1Confident114 Ų114100.4 Ų100.450%0.49652%0.517SS..THydrogen-bonded Turntrans-102.2-15.7-177.8-73.8-97-176.9163.50114.3C986 M1003 H1006 E1010C986-K988 VanDerWaalsContact C-N 3.26Å; C986-K988 PolarHBondContact O-N 3.41Å; K988-M1003 HydrophobicContact CB-CE 4.01Å; K988-M1003 HydrophobicContact CG-CE 3.67Å; K988-H1006 HydrophobicContact CB-CB 4.35Å; K988-H1006 HydrophobicContact CG-CB 4.43Å; K988-E1010 IonicContact NZ-OE1 2.6Å; K988-E1010 PolarHBondContact NZ-OE1 3.43Å; K988-E1010 IonicContact NZ-OE2 3.17Å; K988-E1010 PolarHBondContact NZ-OE2 3.02Å
989C88.5Confident81.6Confident57 Ų5796.2 Ų96.239%0.38550%0.495SS..THydrogen-bonded Turntrans-152.716.8176.971.20000115.4R991 H1002 H1006C989-R991 PolarHBondContact O-N 3.02Å; C989-H1002 PolarHBondContact SG-CE1 3.2Å; C989-H1002 PolarHBondContact SG-NE2 3.44Å; C989-H1006 PolarHBondContact SG-NE2 3.4Å
990G86Confident83.6Confident52 Ų5292.9 Ų92.954%0.53648%0.482SS..  trans71.8-20.8177.500000116.3C986 V992C986-G990 WeakPolarHBondContact O-CA 3.49Å; C986-G990 PolarHBondContact O-N 3.34Å; G990-V992 PolarHBondContact O-N 3.41Å
991R88.8Confident85.3Confident166 Ų16690 Ų9063%0.62647%0.468SS*.  trans-50.2129.7-174.8-72.3-177.4-176.5-1782.2112.9C986 C989 F993C986-R991 WeakPolarHBondContact CB-O 3.31Å; C986-R991 PolarHBondContact N-O 3.4Å; C989-R991 PolarHBondContact O-N 3.02Å; R991-F993 HydrophobicContact CB-CE2 3.75Å; R991-F993 HydrophobicContact CB-CZ 4.07Å; R991-F993 VanDerWaalsContact O-CD2 3.3Å; R991-F993 WeakPolarHBondContact O-CD2 3.42Å; R991-F993 VanDerWaalsContact O-CE2 3.22Å; R991-F993 WeakPolarHBondContact O-CE2 3.41Å
992V89.6Confident86.9Confident79 Ų7985.4 Ų85.448%0.47944%0.443SS..EExtended strand (participates in β ladder)trans-93.6138.5-174.8166.20000111.2V983 P985 G990V983-V992 HydrophobicContact CG1-CB 4.46Å; V983-V992 HydrophobicContact CG1-CG1 3.3Å; V983-V992 HydrophobicContact CG1-CG2 4.38Å; P985-V992 HydrophobicContact CB-CG2 4.29Å; G990-V992 PolarHBondContact O-N 3.41Å
993F88.1Confident88Confident40 Ų4083.6 Ų83.618%0.17544%0.435CS..EExtended strand (participates in β ladder)trans-134.4130.9178.4-60.3-92.1000110.8F984 C986 R991 K995 R999 H1002F984-F993 WeakPolarHBondContact CA-O 3.32Å; F984-F993 WeakPolarHBondContact CB-O 3.38Å; F984-F993 WeakPolarHBondContact CD2-O 3.4Å; F984-F993 PolarHBondContact N-O 3.45Å; F984-F993 PolarHBondContact O-N 3.05Å; C986-F993 HydrophobicContact CB-CE2 4.21Å; R991-F993 HydrophobicContact CB-CE2 3.75Å; R991-F993 HydrophobicContact CB-CZ 4.07Å; R991-F993 VanDerWaalsContact O-CD2 3.3Å; R991-F993 WeakPolarHBondContact O-CD2 3.42Å; R991-F993 VanDerWaalsContact O-CE2 3.22Å; R991-F993 WeakPolarHBondContact O-CE2 3.41Å; F993-K995 PolarHBondContact O-N 2.93Å; F993-R999 HydrophobicContact CB-CB 3.96Å; F993-R999 HydrophobicContact CD2-CB 3.91Å; F993-R999 HydrophobicContact CD2-CG 4.22Å; F993-R999 HydrophobicContact CG-CB 4.02Å; F993-H1002 HydrophobicContact CE1-CB 4.06Å; F993-H1002 HydrophobicContact CE2-CB 4.16Å; F993-H1002 AromaticContact CE2-CD2 3.25Å; F993-H1002 WeakPolarHBondContact CE2-CD2 3.49Å; F993-H1002 AromaticContact CE2-CG 3.84Å; F993-H1002 HydrophobicContact CZ-CB 3.57Å; F993-H1002 AromaticContact CZ-CD2 3.31Å; F993-H1002 WeakPolarHBondContact CZ-CD2 3.37Å; F993-H1002 AromaticContact CZ-CG 3.4Å
994H86.8Confident88.5Confident134 Ų13487.2 Ų87.262%0.6244%0.444SS*.SBendtrans-807.4177.3-53.7102.4000114
995K88.7Confident88.6Confident154 Ų15487.7 Ų87.767%0.6745%0.453SS*.SBendtrans-146.1129.9178.1-62.5-172.7-179.8-177.80110.1F993 K997 S998 R999F993-K995 PolarHBondContact O-N 2.93Å; K995-K997 PolarHBondContact O-N 3.41Å; K995-K997 VanDerWaalsContact O-N 3.17Å; K995-S998 PolarHBondContact O-N 3Å; K995-S998 PolarHBondContact O-OG 3.32Å; K995-R999 PolarHBondContact O-N 3.06Å
996V87.3Confident88.7Confident77 Ų7786 Ų8647%0.46744%0.44SS..Hα-helixtrans-53.5-39.6178.5-1760000111.8F984 S998 R999 S1000F984-V996 HydrophobicContact CD1-CG2 3.95Å; F984-V996 HydrophobicContact CD2-CG2 4Å; F984-V996 HydrophobicContact CE1-CG2 3.58Å; F984-V996 HydrophobicContact CE2-CG2 3.65Å; F984-V996 HydrophobicContact CG-CG2 4.14Å; F984-V996 HydrophobicContact CZ-CG2 3.41Å; F984-V996 VanDerWaalsContact CZ-CG2 3.41Å; V996-S998 PolarHBondContact O-N 3.03Å; V996-R999 WeakPolarHBondContact O-CB 3.49Å; V996-R999 PolarHBondContact O-N 3.45Å; V996-S1000 WeakPolarHBondContact O-CB 3.32Å; V996-S1000 PolarHBondContact O-N 3.4Å; V996-S1000 PolarHBondContact O-OG 2.81Å; V996-S1000 VanDerWaalsContact O-OG 3.12Å
997K86.8Confident88.6Confident187 Ų18788.7 Ų88.781%0.81346%0.461SS*.Hα-helixtrans-63.3-37.6-177.1-162.8170.4-176.9175.60113.4K995 A1001K995-K997 PolarHBondContact O-N 3.41Å; K995-K997 VanDerWaalsContact O-N 3.17Å; K997-A1001 WeakPolarHBondContact O-CB 3.45Å; K997-A1001 PolarHBondContact O-N 2.95Å
998S87.9Confident88.7Confident52 Ų5284.3 Ų84.336%0.36444%0.444SS..Hα-helixtrans-76.7-36.9176.950.70000112.1K995 V996 S1000 A1001 H1002K995-S998 PolarHBondContact O-N 3Å; K995-S998 PolarHBondContact O-OG 3.32Å; V996-S998 PolarHBondContact O-N 3.03Å; S998-S1000 VanDerWaalsContact C-N 3.34Å; S998-S1000 PolarHBondContact O-N 3.33Å; S998-A1001 PolarHBondContact O-N 3.39Å; S998-H1002 WeakPolarHBondContact O-CB 3.39Å; S998-H1002 PolarHBondContact O-N 3.09Å
999R90.7Very high88.8Confident55 Ų5584.9 Ų84.921%0.20845%0.449CS..Hα-helixtrans-56.7-46.9168.5-179.6179.6-179.8-80-0.5112F984 P985 F993 K995 V996 H1002 M1003F984-R999 HydrophobicContact CB-CB 4.45Å; F984-R999 VanDerWaalsContact CB-CD 3.5Å; P985-R999 PolarHBondContact O-NE 3.32Å; P985-R999 PolarHBondContact O-NH2 3.2Å; F993-R999 HydrophobicContact CB-CB 3.96Å; F993-R999 HydrophobicContact CD2-CB 3.91Å; F993-R999 HydrophobicContact CD2-CG 4.22Å; F993-R999 HydrophobicContact CG-CB 4.02Å; K995-R999 PolarHBondContact O-N 3.06Å; V996-R999 WeakPolarHBondContact O-CB 3.49Å; V996-R999 PolarHBondContact O-N 3.45Å; R999-H1002 PolarHBondContact O-N 3.08Å; R999-M1003 HydrophobicContact CG-CG 4.29Å; R999-M1003 WeakPolarHBondContact O-CB 3.41Å; R999-M1003 VanDerWaalsContact O-CG 3.23Å; R999-M1003 WeakPolarHBondContact O-CG 3.47Å; R999-M1003 PolarHBondContact O-N 3.31Å
1000S88.3Confident88.8Confident61 Ų6187.4 Ų87.443%0.42746%0.455SS..Hα-helixtrans-67.5-38.9-179-64.70000112.4V996 S998 M1003 K1004V996-S1000 WeakPolarHBondContact O-CB 3.32Å; V996-S1000 PolarHBondContact O-N 3.4Å; V996-S1000 PolarHBondContact O-OG 2.81Å; V996-S1000 VanDerWaalsContact O-OG 3.12Å; S998-S1000 VanDerWaalsContact C-N 3.34Å; S998-S1000 PolarHBondContact O-N 3.33Å; S1000-M1003 PolarHBondContact O-N 2.96Å; S1000-K1004 PolarHBondContact O-N 3.25Å
1001A90.6Very high88.9Confident61 Ų6192.9 Ų92.950%0.50446%0.464SS..Hα-helixtrans-60.4-44.4171.900000111.8K997 S998 K1004 S1005K997-A1001 WeakPolarHBondContact O-CB 3.45Å; K997-A1001 PolarHBondContact O-N 2.95Å; S998-A1001 PolarHBondContact O-N 3.39Å; A1001-K1004 WeakPolarHBondContact O-CB 3.42Å; A1001-K1004 PolarHBondContact O-N 3.02Å; A1001-S1005 PolarHBondContact O-N 3.05Å; A1001-S1005 PolarHBondContact O-OG 3.44Å
1002H91.8Very high89Confident28 Ų2890.9 Ų90.913%0.1346%0.459CS..Hα-helixtrans-68.7-37.6177.2165.161.2000113.4C986 C989 F993 S998 R999 K1004 S1005 H1006C986-H1002 VanDerWaalsContact SG-CD2 3.51Å; C986-H1002 PolarHBondContact SG-NE2 2.97Å; C989-H1002 PolarHBondContact SG-CE1 3.2Å; C989-H1002 PolarHBondContact SG-NE2 3.44Å; F993-H1002 HydrophobicContact CE1-CB 4.06Å; F993-H1002 HydrophobicContact CE2-CB 4.16Å; F993-H1002 AromaticContact CE2-CD2 3.25Å; F993-H1002 WeakPolarHBondContact CE2-CD2 3.49Å; F993-H1002 AromaticContact CE2-CG 3.84Å; F993-H1002 HydrophobicContact CZ-CB 3.57Å; F993-H1002 AromaticContact CZ-CD2 3.31Å; F993-H1002 WeakPolarHBondContact CZ-CD2 3.37Å; F993-H1002 AromaticContact CZ-CG 3.4Å; S998-H1002 WeakPolarHBondContact O-CB 3.39Å; S998-H1002 PolarHBondContact O-N 3.09Å; R999-H1002 PolarHBondContact O-N 3.08Å; H1002-K1004 VanDerWaalsContact C-N 3.25Å; H1002-K1004 PolarHBondContact O-N 3.44Å; H1002-S1005 WeakPolarHBondContact O-CB 3.45Å; H1002-S1005 PolarHBondContact O-N 3.27Å; H1002-S1005 VanDerWaalsContact O-N 3.12Å; H1002-H1006 AromaticContact CE1-CD2 3.62Å; H1002-H1006 AromaticContact CE1-NE2 3.24Å; H1002-H1006 PolarHBondContact CE1-NE2 3.03Å; H1002-H1006 AromaticContact NE2-CD2 3.7Å; H1002-H1006 AromaticContact NE2-NE2 3.39Å; H1002-H1006 PolarHBondContact NE2-NE2 3.44Å; H1002-H1006 PolarHBondContact O-N 3.46Å
1003M92.1Very high88.9Confident48 Ų4889.7 Ų89.724%0.23646%0.458CS..Hα-helixtrans-62.6-33172.5-72.8-109.355.100111.9K988 R999 S1000 S1005 H1006 A1007K988-M1003 HydrophobicContact CB-CE 4.01Å; K988-M1003 HydrophobicContact CG-CE 3.67Å; R999-M1003 HydrophobicContact CG-CG 4.29Å; R999-M1003 WeakPolarHBondContact O-CB 3.41Å; R999-M1003 VanDerWaalsContact O-CG 3.23Å; R999-M1003 WeakPolarHBondContact O-CG 3.47Å; R999-M1003 PolarHBondContact O-N 3.31Å; S1000-M1003 PolarHBondContact O-N 2.96Å; M1003-S1005 VanDerWaalsContact C-N 3.34Å; M1003-H1006 PolarHBondContact O-N 3.43Å; M1003-A1007 PolarHBondContact O-N 3.04Å
1004K90.9Very high88.8Confident155 Ų15590.3 Ų90.367%0.67447%0.47SS*.Hα-helixtrans-64.3-36.5172.3-168.5179.1179.1-178.50112.1S1000 A1001 H1002 H1006 A1007 E1008S1000-K1004 PolarHBondContact O-N 3.25Å; A1001-K1004 WeakPolarHBondContact O-CB 3.42Å; A1001-K1004 PolarHBondContact O-N 3.02Å; H1002-K1004 VanDerWaalsContact C-N 3.25Å; H1002-K1004 PolarHBondContact O-N 3.44Å; K1004-H1006 VanDerWaalsContact C-N 3.33Å; K1004-H1006 PolarHBondContact O-N 3.1Å; K1004-A1007 PolarHBondContact O-N 3.44Å; K1004-E1008 PolarHBondContact O-N 3.32Å
1005S88.9Confident88.9Confident58 Ų5886.6 Ų86.641%0.40646%0.463SS..Hα-helixtrans-62.2-38.2174.7-50.20000112.7A1001 H1002 M1003 E1008 Q1009A1001-S1005 PolarHBondContact O-N 3.05Å; A1001-S1005 PolarHBondContact O-OG 3.44Å; H1002-S1005 WeakPolarHBondContact O-CB 3.45Å; H1002-S1005 PolarHBondContact O-N 3.27Å; H1002-S1005 VanDerWaalsContact O-N 3.12Å; M1003-S1005 VanDerWaalsContact C-N 3.34Å; S1005-E1008 PolarHBondContact O-N 3.5Å; S1005-Q1009 WeakPolarHBondContact O-CG 3.42Å; S1005-Q1009 PolarHBondContact O-N 3.49Å
1006H89.8Confident88.9Confident34 Ų3485 Ų8516%0.15746%0.461CS..Hα-helixtrans-63.4-45.5173.7-79.4-65.6000111.9K988 C989 H1002 M1003 K1004 E1008 Q1009 E1010K988-H1006 HydrophobicContact CB-CB 4.35Å; K988-H1006 HydrophobicContact CG-CB 4.43Å; C989-H1006 PolarHBondContact SG-NE2 3.4Å; H1002-H1006 AromaticContact CE1-CD2 3.62Å; H1002-H1006 AromaticContact CE1-NE2 3.24Å; H1002-H1006 PolarHBondContact CE1-NE2 3.03Å; H1002-H1006 AromaticContact NE2-CD2 3.7Å; H1002-H1006 AromaticContact NE2-NE2 3.39Å; H1002-H1006 PolarHBondContact NE2-NE2 3.44Å; H1002-H1006 PolarHBondContact O-N 3.46Å; M1003-H1006 PolarHBondContact O-N 3.43Å; K1004-H1006 VanDerWaalsContact C-N 3.33Å; K1004-H1006 PolarHBondContact O-N 3.1Å; H1006-E1008 VanDerWaalsContact C-N 3.26Å; H1006-E1008 PolarHBondContact O-N 2.97Å; H1006-Q1009 PolarHBondContact O-N 3.19Å; H1006-E1010 WeakPolarHBondContact O-CB 3.45Å; H1006-E1010 PolarHBondContact O-N 2.97Å
1007A89.1Confident88.9Confident59 Ų5988.8 Ų88.849%0.48847%0.467SS..Hα-helixtrans-61.9-33.2176.500000112.7M1003 K1004 K1011M1003-A1007 PolarHBondContact O-N 3.04Å; K1004-A1007 PolarHBondContact O-N 3.44Å; A1007-K1011 WeakPolarHBondContact O-CB 3.43Å; A1007-K1011 PolarHBondContact O-N 3.36Å
1008E87.4Confident88.9Confident100 Ų10086.5 Ų86.547%0.46746%0.459SS..Hα-helixtrans-71.1-40.7175-162.4-168.3127.500112.6K1004 S1005 H1006 K1011 K1012K1004-E1008 PolarHBondContact O-N 3.32Å; S1005-E1008 PolarHBondContact O-N 3.5Å; H1006-E1008 VanDerWaalsContact C-N 3.26Å; H1006-E1008 PolarHBondContact O-N 2.97Å; E1008-K1011 PolarHBondContact O-N 3.35Å; E1008-K1012 HydrophobicContact CG-CD 4.48Å; E1008-K1012 WeakPolarHBondContact O-CB 3.47Å; E1008-K1012 WeakPolarHBondContact O-CG 3.45Å; E1008-K1012 PolarHBondContact O-N 3.04Å; E1008-K1012 WeakPolarHBondContact OE1-CE 3.43Å; E1008-K1012 IonicContact OE1-NZ 3.45Å; E1008-K1012 PolarHBondContact OE1-NZ 3.33Å
1009Q85.8Confident89Confident126 Ų12690 Ų9059%0.58947%0.468SS*.Hα-helixtrans-63.5-43.7173.6-74.2176.5-32.400111.7S1005 H1006 K1011 K1012 A1013S1005-Q1009 WeakPolarHBondContact O-CG 3.42Å; S1005-Q1009 PolarHBondContact O-N 3.49Å; H1006-Q1009 PolarHBondContact O-N 3.19Å; Q1009-K1011 PolarHBondContact O-N 3.39Å; Q1009-K1012 PolarHBondContact O-N 3.37Å; Q1009-A1013 PolarHBondContact O-N 3.02Å
1010E88.9Confident89Confident110 Ų11092 Ų9251%0.51448%0.48SS..Hα-helixtrans-62.8-41.7177.7-163.6161.2176.100111.1K988 H1006 A1013 A1014K988-E1010 IonicContact NZ-OE1 2.6Å; K988-E1010 PolarHBondContact NZ-OE1 3.43Å; K988-E1010 IonicContact NZ-OE2 3.17Å; K988-E1010 PolarHBondContact NZ-OE2 3.02Å; H1006-E1010 WeakPolarHBondContact O-CB 3.45Å; H1006-E1010 PolarHBondContact O-N 2.97Å; E1010-A1013 PolarHBondContact O-N 2.99Å; E1010-A1014 PolarHBondContact O-N 3.49Å
1011K89.6Confident89.1Confident167 Ų16793.7 Ų93.773%0.72648%0.481SS*.Hα-helixtrans-65.2-38.2172.3-173.3172.4-177.81760113.3A1007 E1008 Q1009 A1014 A1015A1007-K1011 WeakPolarHBondContact O-CB 3.43Å; A1007-K1011 PolarHBondContact O-N 3.36Å; E1008-K1011 PolarHBondContact O-N 3.35Å; Q1009-K1011 PolarHBondContact O-N 3.39Å; K1011-A1014 PolarHBondContact O-N 3.49Å; K1011-A1015 PolarHBondContact O-N 2.96Å; K1011-A1015 VanDerWaalsContact O-N 3.09Å
1012K89.6Confident89Confident123 Ų12397 Ų9754%0.53549%0.486SS..Hα-helixtrans-66.9-40.4175.9-79.6168.7169.3170.30111.9E1008 Q1009 A1015 L1016E1008-K1012 HydrophobicContact CG-CD 4.48Å; E1008-K1012 WeakPolarHBondContact O-CB 3.47Å; E1008-K1012 WeakPolarHBondContact O-CG 3.45Å; E1008-K1012 PolarHBondContact O-N 3.04Å; E1008-K1012 WeakPolarHBondContact OE1-CE 3.43Å; E1008-K1012 IonicContact OE1-NZ 3.45Å; E1008-K1012 PolarHBondContact OE1-NZ 3.33Å; Q1009-K1012 PolarHBondContact O-N 3.37Å; K1012-A1015 PolarHBondContact O-N 2.98Å; K1012-L1016 WeakPolarHBondContact O-CG 3.49Å; K1012-L1016 PolarHBondContact O-N 3.46Å; K1012-L1016 VanDerWaalsContact O-N 3.11Å
1013A86.8Confident88.9Confident55 Ų55101.4 Ų101.446%0.45551%0.506SS..Hα-helixtrans-64-42.5174.200000112.3Q1009 E1010 A1015 L1016 R1017Q1009-A1013 PolarHBondContact O-N 3.02Å; E1010-A1013 PolarHBondContact O-N 2.99Å; A1013-A1015 PolarHBondContact O-N 3.35Å; A1013-L1016 PolarHBondContact O-N 3.35Å; A1013-R1017 PolarHBondContact O-N 3.24Å; A1013-R1017 VanDerWaalsContact O-N 3.07Å
1014A87.5Confident88.7Confident52 Ų52105.1 Ų105.143%0.4352%0.521SS..Hα-helixtrans-61.5-41.5175.700000112.7E1010 K1011 R1017 Q1018E1010-A1014 PolarHBondContact O-N 3.49Å; K1011-A1014 PolarHBondContact O-N 3.49Å; A1014-R1017 PolarHBondContact O-N 3.42Å; A1014-Q1018 PolarHBondContact O-N 2.97Å
1015A88.1Confident88.6Confident56 Ų56100.4 Ų100.446%0.46351%0.511SS..Hα-helixtrans-66.2-37.517700000113K1011 K1012 A1013 Q1018 K1019K1011-A1015 PolarHBondContact O-N 2.96Å; K1011-A1015 VanDerWaalsContact O-N 3.09Å; K1012-A1015 PolarHBondContact O-N 2.98Å; A1013-A1015 PolarHBondContact O-N 3.35Å; A1015-Q1018 PolarHBondContact O-N 3.38Å; A1015-K1019 PolarHBondContact O-N 3.38Å; A1015-K1019 VanDerWaalsContact O-N 3.11Å
1016L88.5Confident88.5Confident122 Ų12299.8 Ų99.864%0.63951%0.51SS*.Hα-helixtrans-64.6-43.4174.4-74.3171.3000111.7K1012 A1013 K1019 E1020K1012-L1016 WeakPolarHBondContact O-CG 3.49Å; K1012-L1016 PolarHBondContact O-N 3.46Å; K1012-L1016 VanDerWaalsContact O-N 3.11Å; A1013-L1016 PolarHBondContact O-N 3.35Å; L1016-K1019 PolarHBondContact O-N 3.31Å; L1016-E1020 PolarHBondContact O-N 3.49Å
1017R87.8Confident88.3Confident156 Ų156101 Ų10159%0.58953%0.525SS*.Hα-helixtrans-59.8-45.5174.8-82-165.856.5-167.9-11.6112.9A1013 A1014 K1019 E1020 E1021A1013-R1017 PolarHBondContact O-N 3.24Å; A1013-R1017 VanDerWaalsContact O-N 3.07Å; A1014-R1017 PolarHBondContact O-N 3.42Å; R1017-K1019 VanDerWaalsContact C-N 3.3Å; R1017-K1019 PolarHBondContact O-N 3.28Å; R1017-E1020 PolarHBondContact O-N 3.36Å; R1017-E1021 IonicContact CZ-OE1 2.65Å; R1017-E1021 IonicContact NE-OE1 2.74Å; R1017-E1021 PolarHBondContact NE-OE1 2.96Å; R1017-E1021 IonicContact NH2-OE1 2.78Å; R1017-E1021 PolarHBondContact NH2-OE1 2.89Å; R1017-E1021 WeakPolarHBondContact O-CB 3.47Å; R1017-E1021 VanDerWaalsContact O-CG 3.27Å; R1017-E1021 WeakPolarHBondContact O-CG 3.39Å; R1017-E1021 PolarHBondContact O-N 3.48Å
1018Q87.2Confident88.2Confident139 Ų139103.9 Ų103.965%0.6553%0.529SS*.Hα-helixtrans-60.4-39.8176.3-75-176.5-23.500112.2A1014 A1015 E1021 E1022A1014-Q1018 PolarHBondContact O-N 2.97Å; A1015-Q1018 PolarHBondContact O-N 3.38Å; Q1018-E1021 PolarHBondContact O-N 3.1Å; Q1018-E1022 WeakPolarHBondContact O-CB 3.34Å; Q1018-E1022 PolarHBondContact O-N 3.34Å
1019K90.1Very high88Confident125 Ų125102 Ų10254%0.54353%0.53SS..Hα-helixtrans-64.2-43.3175-167.2-159.7171.4-149.90111.8A1015 L1016 R1017 E1022 E1023A1015-K1019 PolarHBondContact O-N 3.38Å; A1015-K1019 VanDerWaalsContact O-N 3.11Å; L1016-K1019 PolarHBondContact O-N 3.31Å; R1017-K1019 VanDerWaalsContact C-N 3.3Å; R1017-K1019 PolarHBondContact O-N 3.28Å; K1019-E1022 PolarHBondContact O-N 3.05Å; K1019-E1023 IonicContact NZ-OE2 3.2Å; K1019-E1023 VanDerWaalsContact O-CB 3.28Å; K1019-E1023 WeakPolarHBondContact O-CB 3.47Å; K1019-E1023 PolarHBondContact O-N 3Å
1020E90.5Very high87.9Confident98 Ų98105.3 Ų105.346%0.45854%0.537SS..Hα-helixtrans-65.2-38.9178.2-166-167.614700112.1L1016 R1017 E1023 K1024L1016-E1020 PolarHBondContact O-N 3.49Å; R1017-E1020 PolarHBondContact O-N 3.36Å; E1020-E1023 PolarHBondContact O-N 3.41Å; E1020-K1024 HydrophobicContact CG-CD 4.35Å; E1020-K1024 WeakPolarHBondContact O-CB 3.48Å; E1020-K1024 VanDerWaalsContact O-CG 3.27Å; E1020-K1024 WeakPolarHBondContact O-CG 3.47Å; E1020-K1024 PolarHBondContact O-N 2.98Å; E1020-K1024 WeakPolarHBondContact OE1-CE 3.49Å; E1020-K1024 IonicContact OE1-NZ 2.75Å; E1020-K1024 PolarHBondContact OE1-NZ 2.96Å
1021E89.5Confident87.7Confident96 Ų96103 Ų10345%0.44954%0.536SS..Hα-helixtrans-67.6-40.1175.6-70.9162.8-164.100111.3R1017 Q1018 A1025R1017-E1021 IonicContact CZ-OE1 2.65Å; R1017-E1021 IonicContact NE-OE1 2.74Å; R1017-E1021 PolarHBondContact NE-OE1 2.96Å; R1017-E1021 IonicContact NH2-OE1 2.78Å; R1017-E1021 PolarHBondContact NH2-OE1 2.89Å; R1017-E1021 WeakPolarHBondContact O-CB 3.47Å; R1017-E1021 VanDerWaalsContact O-CG 3.27Å; R1017-E1021 WeakPolarHBondContact O-CG 3.39Å; R1017-E1021 PolarHBondContact O-N 3.48Å; Q1018-E1021 PolarHBondContact O-N 3.1Å; E1021-A1025 WeakPolarHBondContact O-CB 3.4Å; E1021-A1025 PolarHBondContact O-N 3.4Å
1022E89.4Confident87.4Confident131 Ų131103.6 Ų103.661%0.61253%0.534SS*.Hα-helixtrans-66.7-41.7172.3-176.1170.9-160.700112.5Q1018 K1019 A1025 A1026Q1018-E1022 WeakPolarHBondContact O-CB 3.34Å; Q1018-E1022 PolarHBondContact O-N 3.34Å; K1019-E1022 PolarHBondContact O-N 3.05Å; E1022-A1025 PolarHBondContact O-N 3.26Å; E1022-A1026 WeakPolarHBondContact O-CB 3.5Å; E1022-A1026 PolarHBondContact O-N 3.02Å
1023E89.5Confident87.1Confident119 Ų119105.7 Ų105.756%0.55654%0.543SS*.Hα-helixtrans-66-39.2178.2-171164.1170.200111.6K1019 E1020 A1026 A1027K1019-E1023 IonicContact NZ-OE2 3.2Å; K1019-E1023 VanDerWaalsContact O-CB 3.28Å; K1019-E1023 WeakPolarHBondContact O-CB 3.47Å; K1019-E1023 PolarHBondContact O-N 3Å; E1020-E1023 PolarHBondContact O-N 3.41Å; E1023-A1026 PolarHBondContact O-N 3.43Å; E1023-A1027 WeakPolarHBondContact O-CB 3.41Å; E1023-A1027 PolarHBondContact O-N 3.43Å
1024K87.3Confident87Confident127 Ų127106 Ų10655%0.55255%0.546SS*.Hα-helixtrans-64.6-42171.9-77.3168.6172.8173.70112.5E1020 A1027 Q1028E1020-K1024 HydrophobicContact CG-CD 4.35Å; E1020-K1024 WeakPolarHBondContact O-CB 3.48Å; E1020-K1024 VanDerWaalsContact O-CG 3.27Å; E1020-K1024 WeakPolarHBondContact O-CG 3.47Å; E1020-K1024 PolarHBondContact O-N 2.98Å; E1020-K1024 WeakPolarHBondContact OE1-CE 3.49Å; E1020-K1024 IonicContact OE1-NZ 2.75Å; E1020-K1024 PolarHBondContact OE1-NZ 2.96Å; K1024-A1027 PolarHBondContact O-N 3.41Å; K1024-Q1028 PolarHBondContact O-N 2.89Å
1025A89.6Confident86.6Confident56 Ų56106.5 Ų106.546%0.46355%0.55SS.*Hα-helixtrans-63.2-41.7174.300000112E1021 E1022 Q1028 A1029E1021-A1025 WeakPolarHBondContact O-CB 3.4Å; E1021-A1025 PolarHBondContact O-N 3.4Å; E1022-A1025 PolarHBondContact O-N 3.26Å; A1025-Q1028 PolarHBondContact O-N 3.21Å; A1025-A1029 WeakPolarHBondContact O-CB 3.43Å; A1025-A1029 PolarHBondContact O-N 3.06Å
1026A86.6Confident86.2Confident45 Ų45106.8 Ų106.837%0.37255%0.552SS.*Hα-helixtrans-64.8-39175.400000112.5E1022 E1023 A1029 R1030E1022-A1026 WeakPolarHBondContact O-CB 3.5Å; E1022-A1026 PolarHBondContact O-N 3.02Å; E1023-A1026 PolarHBondContact O-N 3.43Å; A1026-A1029 PolarHBondContact O-N 3.43Å; A1026-R1030 WeakPolarHBondContact O-CG 3.49Å; A1026-R1030 PolarHBondContact O-N 3Å
1027A86.1Confident85.6Confident58 Ų58103.8 Ų103.848%0.47955%0.546SS..Hα-helixtrans-63.7-44.7173.600000111.8E1023 K1024 A1029 R1030 A1031E1023-A1027 WeakPolarHBondContact O-CB 3.41Å; E1023-A1027 PolarHBondContact O-N 3.43Å; K1024-A1027 PolarHBondContact O-N 3.41Å; A1027-A1029 VanDerWaalsContact C-N 3.35Å; A1027-A1029 PolarHBondContact O-N 3.43Å; A1027-R1030 PolarHBondContact O-N 3.31Å; A1027-A1031 PolarHBondContact O-N 3.49Å
1028Q85.7Confident85Confident120 Ų12099.3 Ų99.356%0.56154%0.542SS*.Hα-helixtrans-64.7-37.5177.1-164.8-179.828.900112.3K1024 A1025 A1031 R1032K1024-Q1028 PolarHBondContact O-N 2.89Å; A1025-Q1028 PolarHBondContact O-N 3.21Å; Q1028-A1031 PolarHBondContact O-N 3.5Å; Q1028-R1032 PolarHBondContact O-N 3.02Å
1029A83.5Confident84.3Confident60 Ų6095.8 Ų95.850%0.49654%0.536SS..Hα-helixtrans-65-40.2173.500000112.3A1025 A1026 A1027 K1033A1025-A1029 WeakPolarHBondContact O-CB 3.43Å; A1025-A1029 PolarHBondContact O-N 3.06Å; A1026-A1029 PolarHBondContact O-N 3.43Å; A1027-A1029 VanDerWaalsContact C-N 3.35Å; A1027-A1029 PolarHBondContact O-N 3.43Å; A1029-K1033 PolarHBondContact O-N 3.07Å
1030R84.4Confident83.4Confident197 Ų19792.9 Ų92.974%0.74354%0.536SS*.Hα-helixtrans-63.7-44.1173-73.3173.3-177.7-179.12.2111.8A1026 A1027 K1033 A1034A1026-R1030 WeakPolarHBondContact O-CG 3.49Å; A1026-R1030 PolarHBondContact O-N 3Å; A1027-R1030 PolarHBondContact O-N 3.31Å; R1030-K1033 PolarHBondContact O-N 3.06Å; R1030-A1034 WeakPolarHBondContact O-CB 3.5Å; R1030-A1034 PolarHBondContact O-N 3.18Å
1031A84.2Confident82.5Confident60 Ų6090.4 Ų90.450%0.49653%0.532SS..Hα-helixtrans-60.8-45176.800000112A1027 Q1028 K1033 A1034 A1035A1027-A1031 PolarHBondContact O-N 3.49Å; Q1028-A1031 PolarHBondContact O-N 3.5Å; A1031-K1033 PolarHBondContact O-N 2.81Å; A1031-A1034 PolarHBondContact O-N 3.43Å; A1031-A1035 WeakPolarHBondContact O-CB 3.32Å; A1031-A1035 PolarHBondContact O-N 2.97Å
1032R84.5Confident81.5Confident180 Ų18088.5 Ų88.568%0.67953%0.532SS*.Hα-helixtrans-60.8-41.4173.7-76.7-178.5171.3-177.4-3.2112.6Q1028 A1035 A1036Q1028-R1032 PolarHBondContact O-N 3.02Å; R1032-A1035 PolarHBondContact O-N 2.96Å; R1032-A1036 WeakPolarHBondContact O-CB 3.45Å; R1032-A1036 PolarHBondContact O-N 3.5Å
1033K83.2Confident80.3Confident167 Ų16785.6 Ų85.673%0.72653%0.531SS*.Hα-helixtrans-67.8-36.5176.9-170.1171.2-178.4176.10112.5A1029 R1030 A1031 A1037A1029-K1033 PolarHBondContact O-N 3.07Å; R1030-K1033 PolarHBondContact O-N 3.06Å; A1031-K1033 PolarHBondContact O-N 2.81Å; K1033-A1037 WeakPolarHBondContact O-CB 3.43Å; K1033-A1037 PolarHBondContact O-N 3.11Å
1034A83.2Confident79Confident63 Ų6383.3 Ų83.352%0.52153%0.532SS..Hα-helixtrans-66.5-43.6174.100000111.8R1030 A1031 A1037 A1038R1030-A1034 WeakPolarHBondContact O-CB 3.5Å; R1030-A1034 PolarHBondContact O-N 3.18Å; A1031-A1034 PolarHBondContact O-N 3.43Å; A1034-A1037 PolarHBondContact O-N 3.02Å; A1034-A1038 WeakPolarHBondContact O-CB 3.45Å; A1034-A1038 PolarHBondContact O-N 3.23Å
1035A79.1Confident77.7Confident62 Ų6285.3 Ų85.351%0.51254%0.543SS..Hα-helixtrans-62.1-42.8175.300000112.3A1031 R1032 A1038 A1039A1031-A1035 WeakPolarHBondContact O-CB 3.32Å; A1031-A1035 PolarHBondContact O-N 2.97Å; R1032-A1035 PolarHBondContact O-N 2.96Å; A1035-A1038 PolarHBondContact O-N 3.05Å; A1035-A1039 WeakPolarHBondContact O-CB 3.48Å; A1035-A1039 PolarHBondContact O-N 3.13Å
1036A79.4Confident76.1Confident61 Ų6191 Ų9150%0.50456%0.561SS.*Hα-helixtrans-63.8-39.5174.800000112.6R1032 A1039 A1040R1032-A1036 WeakPolarHBondContact O-CB 3.45Å; R1032-A1036 PolarHBondContact O-N 3.5Å; A1036-A1039 PolarHBondContact O-N 3.36Å; A1036-A1040 WeakPolarHBondContact O-CB 3.41Å; A1036-A1040 PolarHBondContact O-N 3.4Å
1037A76.9Confident74.5Confident60 Ų6092.1 Ų92.150%0.49658%0.576SS.*Hα-helixtrans-67.4-38.3175.100000112.4K1033 A1034 A1040 A1041K1033-A1037 WeakPolarHBondContact O-CB 3.43Å; K1033-A1037 PolarHBondContact O-N 3.11Å; A1034-A1037 PolarHBondContact O-N 3.02Å; A1037-A1040 PolarHBondContact O-N 3.05Å; A1037-A1041 WeakPolarHBondContact O-CB 3.41Å; A1037-A1041 PolarHBondContact O-N 3.03Å
1038A75.4Confident72.5Confident62 Ų6292.6 Ų92.651%0.51259%0.586SS.*Hα-helixtrans-66.3-40.3174.900000112A1034 A1035 A1041 A1042A1034-A1038 WeakPolarHBondContact O-CB 3.45Å; A1034-A1038 PolarHBondContact O-N 3.23Å; A1035-A1038 PolarHBondContact O-N 3.05Å; A1038-A1041 PolarHBondContact O-N 3Å; A1038-A1042 WeakPolarHBondContact O-CB 3.47Å; A1038-A1042 PolarHBondContact O-N 3.02Å
1039A72.9Confident70.3Confident64 Ų6496.9 Ų96.953%0.52961%0.606SS.*Hα-helixtrans-63.3-42.4173.700000112.1A1035 A1036 A1042 A1043A1035-A1039 WeakPolarHBondContact O-CB 3.48Å; A1035-A1039 PolarHBondContact O-N 3.13Å; A1036-A1039 PolarHBondContact O-N 3.36Å; A1039-A1042 PolarHBondContact O-N 3.01Å; A1039-A1043 PolarHBondContact O-N 2.95Å
1040A70.2Confident68Low64 Ų6497.6 Ų97.653%0.52962%0.62SS.*Hα-helixtrans-64.4-39.5174.800000112.7A1036 A1037 A1043 A1044A1036-A1040 WeakPolarHBondContact O-CB 3.41Å; A1036-A1040 PolarHBondContact O-N 3.4Å; A1037-A1040 PolarHBondContact O-N 3.05Å; A1040-A1043 PolarHBondContact O-N 3.26Å; A1040-A1044 PolarHBondContact O-N 3.16Å; A1040-A1044 VanDerWaalsContact O-N 3.09Å
1041A71Confident65.8Low46 Ų4697.6 Ų97.638%0.3863%0.628SS.*Hα-helixtrans-66.7-41.8174.800000112.2A1037 A1038 A1043 A1044 H1045A1037-A1041 WeakPolarHBondContact O-CB 3.41Å; A1037-A1041 PolarHBondContact O-N 3.03Å; A1038-A1041 PolarHBondContact O-N 3Å; A1041-A1043 VanDerWaalsContact C-N 3.31Å; A1041-A1043 PolarHBondContact O-N 3.39Å; A1041-A1044 PolarHBondContact O-N 3.26Å; A1041-A1044 VanDerWaalsContact O-N 3.16Å; A1041-H1045 PolarHBondContact O-CD2 3.42Å; A1041-H1045 PolarHBondContact O-N 3.41Å
1042A68.3Low63.4Low56 Ų5698 Ų9846%0.46364%0.639SS.*Hα-helixtrans-62.6-37.5175.800000112.3A1038 A1039 H1045A1038-A1042 WeakPolarHBondContact O-CB 3.47Å; A1038-A1042 PolarHBondContact O-N 3.02Å; A1039-A1042 PolarHBondContact O-N 3.01Å; A1042-H1045 PolarHBondContact O-N 3.45Å
1043A65.9Low61.1Low70 Ų7094 Ų9458%0.57964%0.644SS**Hα-helixtrans-65.6-38.1172.900000112.4A1039 A1040 A1041A1039-A1043 PolarHBondContact O-N 2.95Å; A1040-A1043 PolarHBondContact O-N 3.26Å; A1041-A1043 VanDerWaalsContact C-N 3.31Å; A1041-A1043 PolarHBondContact O-N 3.39Å
1044A61.8Low58.7Low71 Ų7190 Ų9059%0.58764%0.642SS**Hα-helixtrans-67.1-37.9176.600000112.9A1040 A1041 Q1046 G1047A1040-A1044 PolarHBondContact O-N 3.16Å; A1040-A1044 VanDerWaalsContact O-N 3.09Å; A1041-A1044 PolarHBondContact O-N 3.26Å; A1041-A1044 VanDerWaalsContact O-N 3.16Å; A1044-Q1046 VanDerWaalsContact C-N 3.26Å; A1044-Q1046 PolarHBondContact O-N 3.33Å; A1044-G1047 PolarHBondContact O-N 2.67Å
1045H59.3Low56.4Low169 Ų16996 Ų9678%0.78266%0.659SS**Hα-helixtrans-73-10-178.3-79.6-66.1000115.2A1041 A1042A1041-H1045 PolarHBondContact O-CD2 3.42Å; A1041-H1045 PolarHBondContact O-N 3.41Å; A1042-H1045 PolarHBondContact O-N 3.45Å
1046Q56.3Low54.2Low177 Ų177102.4 Ų102.483%0.82768%0.678SS**THydrogen-bonded Turntrans-91.6-1.3168.1-61.6-176.12000112.5A1044 G1048A1044-Q1046 VanDerWaalsContact C-N 3.26Å; A1044-Q1046 PolarHBondContact O-N 3.33Å; Q1046-G1048 VanDerWaalsContact C-N 3.34Å; Q1046-G1048 PolarHBondContact O-N 3.45Å
1047G53.6Low51.9Low68 Ų68102.8 Ų102.870%0.70169%0.688SS**SBendtrans-81.86.2-171.300000117A1044A1044-G1047 PolarHBondContact O-N 2.67Å
1048G43.3Very low49.9Very low67 Ų67108.8 Ų108.869%0.69171%0.706SS**  trans127.2136.3164.500000116.4Q1046Q1046-G1048 VanDerWaalsContact C-N 3.34Å; Q1046-G1048 PolarHBondContact O-N 3.45Å
1049E40.1Very low47.9Very low210 Ų210113.4 Ų113.498%0.98172%0.72SS**  trans-125.6135.3153.3-75.4-162.5109.300108.9
1050G35.8Very low45.8Very low76 Ų76115.8 Ų115.878%0.78473%0.734SS**  trans-164.6116-179.100000111.4
1051H38.2Very low44.2Very low196 Ų196117.8 Ų117.891%0.90774%0.743SS**  trans-52.7157.6175.1-82.3-117.9000113.2
1052G33.7Very low42.2Very low70 Ų70124.8 Ų124.872%0.72277%0.768SS**  cis124.2158.65.100000112.6
1053A34.7Very low40.6Very low95 Ų95130.6 Ų130.679%0.78579%0.786SS**  cis-170.1178.7-6.700000111.6
1054A32.5Very low38.8Very low84 Ų84134.9 Ų134.969%0.69480%0.799SS**  trans79.4109.1148.600000123.1
1055Q35.3Very low37.7Very low187 Ų187136.3 Ų136.387%0.87481%0.805SS**  trans-176.1102.8131.8-102.2160.488.600107.1
1056Q33.5Very low36.3Very low197 Ų197133.3 Ų133.392%0.92180%0.803SS**  76.9129.872.5-75.7-164.4-1600115.5
1057G31.7Very low35.6Very low69 Ų69130.6 Ų130.671%0.71179%0.79SS**  trans9989.9-172.900000112.1
1058E34.9Very low34.6Very low187 Ų187130.7 Ų130.787%0.87479%0.791SS**  54.1123.557.5-63.8-157.6158.100113.2
1059I32.9Very low34.4Very low158 Ų158130.9 Ų130.981%0.8177%0.774SS**  cis-157.6175.21.328.4164.1000110
1060S29.8Very low34.2Very low115 Ų115125.7 Ų125.780%0.80475%0.753SS**  trans110.2100.9158.7-162.90000116.1
1061S36.2Very low34.5Very low105 Ų105127.5 Ų127.573%0.73474%0.744SS**  trans-47.7133.7167.749.70000115.2
1062Q29.2Very low34.3Very low193 Ų193125.6 Ų125.690%0.90274%0.741SS**  trans-149136.2135.5-152.6171.1-79.200110
1063E32.9Very low34.4Very low179 Ų179128.9 Ų128.984%0.83674%0.742SS**  trans-94.8139.1178.759.7-135.883.800111.7
1064D29.3Very low34.3Very low160 Ų160132.3 Ų132.386%0.85674%0.742SS**  trans-137.9169.9176.4-154-2.5000112
1065S38.3Very low34.5Very low100 Ų100132.8 Ų132.870%0.69973%0.732SS**  trans-118.8-164.3-169.8-60.10000112.6
1066S30.6Very low34.2Very low106 Ų106133.3 Ų133.374%0.74173%0.727SS**  trans69.4122.2-16864.60000113.2
1067E41.3Very low34.4Very low121 Ų121134.2 Ų134.257%0.56573%0.73SS**  cis70.794.839.4-52.6-17913400111.2T474 R475T474-E1067 WeakPolarHBondContact CA-OE1 3.27Å; T474-E1067 WeakPolarHBondContact CB-OE1 2.99Å; T474-E1067 WeakPolarHBondContact CB-OE2 3.38Å; T474-E1067 HydrophobicContact CG2-CB 4.34Å; T474-E1067 HydrophobicContact CG2-CG 4.48Å; T474-E1067 VanDerWaalsContact CG2-OE2 3.26Å; T474-E1067 WeakPolarHBondContact CG2-OE2 3.42Å; R475-E1067 PolarHBondContact N-OE1 2.83Å
1068G32.3Very low34.5Very low69 Ų69137.5 Ų137.571%0.71173%0.731SS**  trans-178.468.7-171.100000116.4
1069E38.5Very low34.5Very low72 Ų72134.8 Ų134.834%0.33672%0.724SS.*  33.3141.1122.5-16.9-165153.800118.6I471 Q472I471-E1069 WeakPolarHBondContact CA-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CB-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CG2-OE2 3.45Å; Q472-E1069 VanDerWaalsContact CA-OE1 3.29Å; Q472-E1069 WeakPolarHBondContact CA-OE1 3.35Å; Q472-E1069 HydrophobicContact CB-CB 4.37Å; Q472-E1069 HydrophobicContact CB-CG 3.88Å; Q472-E1069 WeakPolarHBondContact CB-OE1 3.35Å; Q472-E1069 HydrophobicContact CG-CB 3.86Å; Q472-E1069 HydrophobicContact CG-CG 3.96Å; Q472-E1069 PolarHBondContact N-OE1 3.24Å; Q472-E1069 PolarHBondContact N-OE2 3.23Å
1070D37.4Very low34.6Very low101 Ų101133.6 Ų133.654%0.5472%0.719SS.*  cis-148.7-164.144.8-147.7-10.2000114.1
1071D40.3Very low34.9Very low114 Ų114134.6 Ų134.661%0.6171%0.714SS**  trans-71.3154.2170.2-74.6-47.5000113.9
1072D35.1Very low34.8Very low155 Ų155136.5 Ų136.583%0.82971%0.713SS**  trans-169.5135.4135.8-106.9-15.9000114.1
1073D35.6Very low35.2Very low140 Ų140132.7 Ų132.775%0.74970%0.7SS**  trans50.3118.7152.8-75.4-7.2000126.8
1074E32Very low35.4Very low166 Ų166129.4 Ų129.478%0.77669%0.69SS**  81.4140.8125.9-67.8-84.491.400123.8
1075D37.1Very low35.8Very low94 Ų94127.1 Ų127.150%0.50368%0.678SS.*  trans-11135.6167.5-83.4-17.6000118.8
1076W29Very low35.6Very low198 Ų198129.3 Ų129.375%0.7568%0.676SS**  -178.3127.491.2-90.9104.8000113.4
1077H38Very low36.1Very low216 Ų216131.5 Ų131.5100%167%0.67SS**  trans690162.6-73.3-43.8000119.9

Retrieved 1,077 of 1,077 residues in 2890.3 ms (Link to these results)