A0A096MN52_PAPAN Loading...

Deoxynucleotidyltransferase terminal interacting protein 2

AlphaFold DB , UniProt , Accession A0A096MN52, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 757 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.6Very low36.6Very low233 Ų233154.2 Ų154.2100%1.14885%0.847SS**  0113.40-177.6173-176.900106.9
2V32.1Very low36.6Very low127 Ų127150.6 Ų150.677%0.7784%0.841SS**  trans62.7110.3174.3-170.60000114.7
3V37.6Very low36.4Very low125 Ų125152.2 Ų152.276%0.75884%0.844SS**  73.713264.4176.50000111.1
4T39.7Very low36.2Very low111 Ų111154.4 Ų154.468%0.68185%0.845SS**  cis-159147.139.2-4.20000110.9
5R41.9Very low35.8Very low232 Ų232150.4 Ų150.488%0.87584%0.841SS**  61.5156.498.2-68.3-173.7-170.5-140.21.1118.4
6S37.8Very low35.4Very low103 Ų103152.4 Ų152.472%0.7284%0.842SS**  cis-177.5138.1-15.451.80000109.3
7A39Very low35Very low97 Ų97149.6 Ų149.680%0.80284%0.835SS**  96.3127.871.500000118.3
8R36.4Very low34.7Very low251 Ų251146.5 Ų146.595%0.94783%0.832SS**  trans29.4165.7150.7-85.1-174.6176.1-174.91.2122.9
9A36.4Very low34.2Very low99 Ų99148.5 Ų148.582%0.81883%0.833SS**  cis-155.1-150.526.700000116.4
10K37.1Very low34Very low212 Ų212145.8 Ų145.892%0.92283%0.825SS**  trans-113.8165.8-169.8-44.9172.2175.8-176.70115.3
11A33Very low34Very low106 Ų106144.8 Ų144.888%0.87683%0.827SS**  trans-164174.7147.400000114.2
12S36.4Very low33.8Very low111 Ų111136.9 Ų136.978%0.77681%0.805SS**  trans-168153.2177.859.70000112.8
13I34.8Very low33.8Very low171 Ų171140 Ų14088%0.87781%0.811SS**  trans-170.4175.9156.9-105.7153.9000112.9
14Q33.3Very low33.5Very low183 Ų183144.2 Ų144.286%0.85582%0.819SS**  trans-107.4168.2-164.6-52.3159.3-76.300115
15A30.2Very low33.3Very low95 Ų95144.1 Ų144.179%0.78582%0.823SS**  138.3121.1122.400000118.8
16E29.3Very low32.9Very low183 Ų183138.2 Ų138.286%0.85582%0.817SS**  trans52.9127.7135.4-80.9-175.4-162.200127.1
17S28Very low32.6Very low105 Ų105138 Ų13873%0.73482%0.822SS**  95.4126.4123.3-69.40000125
18A29.9Very low32.1Very low93 Ų93137 Ų13777%0.76981%0.814SS**  trans103.7147.413500000123.3
19E26.2Very low31.9Very low184 Ų184133.2 Ų133.286%0.8681%0.812SS**  trans65164.9164.2-55.9-161.2141.300121.5
20S29.4Very low31.4Very low95 Ų95131.8 Ų131.866%0.66481%0.807SS**  -163.3-178.2-54.876.30000111.3
21S32.8Very low31.2Very low125 Ų125129.2 Ų129.287%0.87480%0.802SS**  trans75.1153.4175.183.80000118.1
22G28.9Very low31.1Very low67 Ų67132.9 Ų132.969%0.69180%0.801SS**  cis176.9138.2-10.300000116.4
23Q32.4Very low30.7Very low192 Ų192132 Ų13290%0.89780%0.801SS**  trans62.1128.3157.6-59.1-175.2-51.400122.8
24K30.8Very low30.5Very low213 Ų213133.1 Ų133.193%0.92680%0.802SS**  -163.9162.5112.4-103.3157.8-172.1170.70113.1
25S34.7Very low31.6Very low109 Ų109129.8 Ų129.876%0.76280%0.796SS**  trans-90.1-178-168.665.50000112.9
26S34.9Very low31.8Very low108 Ų108133.4 Ų133.476%0.75580%0.797SS**  cis-175.4165.96.815.80000107
27A29.8Very low31.8Very low98 Ų98129.7 Ų129.781%0.8179%0.791SS**  cis-167.1-155.8-14.100000105.4
28A30.2Very low32Very low78 Ų78129.1 Ų129.165%0.64579%0.787SS**  cis-164.9173.91.300000109.7
29N31.2Very low32Very low170 Ų170131.1 Ų131.191%0.90979%0.79SS**  trans65.9149.3169.8-52-18000117.4
30G27.1Very low32.1Very low69 Ų69125.2 Ų125.271%0.71178%0.779SS**  cis165.8121-1400000115.6
31I32.6Very low32.4Very low158 Ų158125.8 Ų125.881%0.8178%0.783SS**  trans73.4101.9150.7-56.3178.7000120.9
32Q29.7Very low32.3Very low183 Ų183127.5 Ų127.586%0.85578%0.782SS**  57.7128.1121.5-160.9179.323.500124
33A28.9Very low32.5Very low94 Ų94127.8 Ų127.878%0.77778%0.778SS**  162.1154.512700000116.7
34H30.6Very low32.6Very low193 Ų193129.8 Ų129.889%0.89478%0.777SS**  trans-122.4-161.5172.9-77.6-83.2000109.1
35P57Low32.5Very low114 Ų114124.9 Ų124.974%0.7477%0.766SS**  cis-128.6-158.4-3.840-17.3000112.8
36E32.6Very low32.2Very low170 Ų170125.6 Ų125.679%0.79477%0.765SS**  cis-120.1-139.70-64.8-171.9-142.500110.8
37S30.3Very low31.9Very low106 Ų106124.3 Ų124.374%0.74176%0.761SS**  cis-159.3149.40.447.90000108.6
38S31Very low31.8Very low92 Ų92127.8 Ų127.864%0.64376%0.761SS**  cis83.4127.536.1-169.60000114.1
39T31.3Very low31.9Very low136 Ų136128.3 Ų128.383%0.83476%0.76SS**  cis-164.2149.2-9.4-81.20000111.6
40G28.3Very low32Very low60 Ų60128 Ų12862%0.61975%0.753SS**  trans122.4126.915900000116.3
41S34.4Very low32.1Very low107 Ų107129.8 Ų129.875%0.74875%0.75SS**  75.9136.754.571.30000113.6
42D32.2Very low31.9Very low160 Ų160129.3 Ų129.386%0.85676%0.755SS**  cis-170.2172.21.1-102-30.2000105.6
43A32.3Very low31.8Very low74 Ų74124 Ų12461%0.61275%0.749SS**  cis177.1160.9-17.800000106.5
44R33.8Very low31.9Very low233 Ų233129.1 Ų129.188%0.87975%0.753SS**  trans65.7160.8158.9-80178.9164.6-178.6-3.5118.5
45T28.6Very low31.8Very low111 Ų111128.7 Ų128.768%0.68175%0.752SS**  cis-153.21482.3-0.80000112.9
46T28.4Very low30.5Very low123 Ų123127.8 Ų127.876%0.75575%0.748SS**  trans37.7145.5144-9.10000125.3
47A29.2Very low30.5Very low82 Ų82124.1 Ų124.168%0.67874%0.741SS**  trans71.2150.6139.500000119.4
48E27.8Very low30.7Very low171 Ų171126.4 Ų126.480%0.79974%0.744SS**  cis-162.2-178.6-15.2-127.9-171.9-138.600110.1
49S33Very low31.4Very low88 Ų88126.6 Ų126.662%0.61574%0.743SS**  trans33.8140.7141.5-60.60000121.4
50Q32.3Very low31.4Very low164 Ų164131.5 Ų131.577%0.76675%0.746SS**  cis169144.9-8.5-122.6-168.446.300106.9
51T29.3Very low31.7Very low107 Ų107134.6 Ų134.666%0.65675%0.753SS**  trans70.5149.4149.570.30000124.1
52T29.3Very low32.3Very low147 Ų147135.1 Ų135.190%0.90275%0.754SS**  trans69.2152.5165.476.10000117.9
53G26.5Very low32.4Very low71 Ų71136.7 Ų136.773%0.73275%0.753SS**  cis-173.2157.4-5.900000114.6
54K31.5Very low32.3Very low202 Ų202138 Ų13888%0.87876%0.763SS**  trans-17.3134.9171-50.2165.1-176.9173.30117.5
55Q29.5Very low32.2Very low185 Ų185138.5 Ų138.586%0.86477%0.765SS**  -179.2161.1101.4-100.1-172.1-1000117.1
56S29.3Very low32.2Very low94 Ų94141.7 Ų141.766%0.65777%0.77SS**  trans-49.4165.6161.944.40000116.5
57S32.3Very low32.3Very low93 Ų93146 Ų14665%0.6577%0.772SS**  cis177.2-179.6-12.459.10000110
58I33.8Very low32.4Very low154 Ų154150.9 Ų150.979%0.7978%0.778SS**  trans72.2157.3160.1-68.2165.5000113.6
59P45.4Very low32.5Very low96 Ų96148.2 Ų148.262%0.62378%0.778SS**  cis-130.1169.62.919.26.3000118.9
60R31.4Very low32.3Very low240 Ų240154.1 Ų154.191%0.90679%0.787SS**  trans76.7136.4139.8-77.7163.1-171.2174.72.4122.8
61T36.1Very low32.1Very low125 Ų125151.2 Ų151.277%0.76778%0.781SS**  trans-96.317615658.60000110.7
62P45.8Very low32.1Very low117 Ų117151.9 Ų151.976%0.7679%0.785SS**  -149.2137.9112.335.9-19.2000118.3
63K33.9Very low32Very low194 Ų194149.9 Ų149.984%0.84378%0.777SS**  trans47.6121.6135.4-60.9-178.2178.4177.80123.5
64A31.4Very low32.3Very low100 Ų100152.5 Ų152.583%0.82678%0.784SS**  trans73.6166.3137.200000118.3
65R30.5Very low32.3Very low245 Ų245150.9 Ų150.993%0.92578%0.784SS**  cis-14716911.9-159.8175.4-179.8-170.30.5113.1
66K30.2Very low33.1Very low177 Ų177147.4 Ų147.477%0.7778%0.777SS**  trans-65.6151.5-171.1-64.3176.3176.11760118
67R28.9Very low33Very low213 Ų213152.4 Ų152.480%0.80479%0.788SS**  trans81.9118.7133.1-86.4176176.7-174.2-2.6123
68K32.3Very low32.9Very low185 Ų185151.3 Ų151.380%0.80479%0.79SS**  68.2138.6126.8-79-165.2170.9-166.10122.6
69S29.5Very low32.8Very low115 Ų115150.4 Ų150.480%0.80479%0.793SS**  trans65160.9150.5440000119.4
70R29.5Very low32.2Very low212 Ų212155 Ų15580%0.881%0.806SS**  cis172.1138.4-31-174.4-17086.6168.93.6104.9
71T28.4Very low32.7Very low103 Ų103149.4 Ų149.463%0.63280%0.8SS**  trans62.4155.4171.632.40000114
72T28.3Very low32.5Very low121 Ų121148 Ų14874%0.74280%0.796SS**  cis-165.2156.4-2.815.60000107.1
73S28Very low32Very low106 Ų106149 Ų14974%0.74180%0.8SS**  cis177.2136.6-2248.20000109.1
74S31.1Very low31.9Very low126 Ų126146.7 Ų146.788%0.88180%0.797SS**  trans-152.5153.7168.450.90000113.3
75L32Very low32Very low168 Ų168144.9 Ų144.988%0.8879%0.787SS**  trans-115.4174.4-175-88.7163.9000109.8
76P46.3Very low32.1Very low111 Ų111142 Ų14272%0.72179%0.785SS**  cis-131.4174.8-11.133.8-15.5000114.4
77K27.9Very low32.3Very low200 Ų200138.9 Ų138.987%0.8778%0.781SS**  153110.4104.2-170.2172.1-175.6178.70115
78G30.3Very low32.7Very low69 Ų69132.5 Ų132.571%0.71177%0.769SS**  trans83154.2157.400000117.1
79T32.2Very low32.7Very low136 Ų136132.1 Ų132.183%0.83477%0.77SS**  cis-159.1112.3-14.3-62.80000109.1
80E33Very low33Very low192 Ų192130.4 Ų130.490%0.89776%0.762SS**  trans-169139.9160.5-120.5167.5-137.900110.3
81P40.2Very low33.2Very low122 Ų122128.9 Ų128.979%0.79276%0.764SS**  trans-106.2129.2174.235.4-27.3000112.9
82S31.9Very low33.3Very low96 Ų96128.2 Ų128.267%0.67176%0.764SS**  trans-99.3156.6144.469.60000109.2
83T35.2Very low33.5Very low138 Ų138129.4 Ų129.485%0.84777%0.766SS**  trans-139.196.6156.752.70000109
84D33.1Very low33.6Very low146 Ų146135.6 Ų135.678%0.78177%0.774SS**  trans-56.3164.3144.5-49.8-88.3000108.9
85G33.6Very low33.5Very low61 Ų61135 Ų13563%0.62977%0.771SS**  cis164.6-155.7600000108
86E32.9Very low33.7Very low186 Ų186132 Ų13287%0.86976%0.764SS**  trans66.8151.3165.9-55.5-165.1128.600116.7
87T34.3Very low33Very low111 Ų111133.2 Ų133.268%0.68177%0.769SS**  cis-160-178.2-20.425.70000108.3
88S35.8Very low33.3Very low79 Ų79127.8 Ų127.855%0.55276%0.756SS**  trans80.3119.9151.8-61.20000116.4
89E33.3Very low33.7Very low177 Ų177132.8 Ų132.883%0.82776%0.761SS**  8114592-70.2156.6-119.800112.8
90A35.7Very low33.9Very low79 Ų79134.5 Ų134.565%0.65376%0.759SS**  cis-159.2-170.8-18.200000107.3
91E32.8Very low34.2Very low180 Ų180133.5 Ų133.584%0.84175%0.754SS**  trans61.5112.9161.2-63.5178.4-170.500117.8
92S30.8Very low34Very low89 Ų89135.4 Ų135.462%0.62276%0.757SS**  94.9147.166.787.10000114.7
93N32.4Very low34.4Very low146 Ų146136.6 Ų136.678%0.78176%0.761SS**  trans73.996.8167-55.7-43.7000121.2
94Y30.2Very low34.8Very low235 Ų235137.6 Ų137.692%0.92276%0.759SS**  52.799.9112.2-130.6-84.6000120.4
95S28.8Very low35.1Very low115 Ų115136.6 Ų136.680%0.80475%0.753SS**  -169.9149.1126-167.10000112.4
96S37.9Very low35.4Very low105 Ų105144.9 Ų144.973%0.73477%0.765SS**  trans-80.5155.1159.2-48.20000110.7
97V30.3Very low35.9Very low136 Ų136141 Ų14182%0.82476%0.755SS**  trans-176.7149.7140.8133.60000113.1
98S34.6Very low37.2Very low86 Ų86140.1 Ų140.160%0.60175%0.749SS**  trans50.5124.7163.163.50000122
99E39.3Very low38.1Very low173 Ų173148.4 Ų148.481%0.80877%0.768SS**  trans-63.1145.8147.1-61.2154.9117.700110.7
100H35.9Very low39.2Very low173 Ų173151.1 Ų151.180%0.80177%0.771SS**  trans-136.8134.6159.2-96.9-93.6000108.8
101H38.4Very low39.7Very low171 Ų171157.4 Ų157.479%0.79278%0.778SS**  trans-96126.1178.4-72.3-68.7000111.1
102D37.3Very low40.7Very low161 Ų161156.7 Ų156.786%0.86177%0.774SS**  trans-65.7131.5176.3-70.8-49.4000112.4
103T39.6Very low41.5Very low121 Ų121159.4 Ų159.474%0.74278%0.78SS**  trans-100108.7175.3-61.40000110.1L105T103-L105 PolarHBondContact O-N 2.75Å
104I44.1Very low42Very low159 Ų159159.8 Ų159.882%0.81578%0.781SS**  trans-80.5107.4-175.8-57176.4000110.8
105L38.3Very low42.7Very low126 Ų126155.8 Ų155.866%0.6678%0.775SS**  trans-91.8115173.7-73.8171.4000111.7T103 L114T103-L105 PolarHBondContact O-N 2.75Å; L105-L114 HydrophobicContact CD2-CD2 4.26Å
106R41.2Very low43.2Very low234 Ų234155.1 Ų155.188%0.88378%0.776SS**  trans-101.989.7175.1-164.5175.5-170.21743.5111.3
107V42.4Very low43.1Very low106 Ų106155.9 Ų155.964%0.64278%0.78SS**  trans-75.7131.3179.5-178.20000111
108T61.4Low43.6Very low92 Ų92154.8 Ų154.856%0.56478%0.778SS**BIsolated β-bridgetrans-127.4155.9166.167.80000110.3R110T108-R110 PolarHBondContact O-N 3.01Å
109R56.4Low44.2Very low252 Ų252156.6 Ų156.695%0.95179%0.788SS**THydrogen-bonded Turntrans-65.5-6.7-152.7-147.7177.6-175.3-166.42.1116.8
110R55.8Low43.9Very low234 Ų234155.5 Ų155.588%0.88379%0.793SS**THydrogen-bonded Turntrans-144.619.7-177.5-74.2-162.7170.8-176.2-2.9117.4T108T108-R110 PolarHBondContact O-N 3.01Å
111R46.3Very low44.1Very low212 Ų212152.2 Ų152.280%0.879%0.789SS**BIsolated β-bridgetrans-169.2151161-99.8139.2-151.8-103.86.6111.3
112Q53Low44Very low165 Ų165150 Ų15077%0.77179%0.793SS**  trans-108144.7164.6-69.3179.2-10.600108.9
113I48.8Very low43.8Very low146 Ų146148.8 Ų148.875%0.74979%0.791SS**  trans-135.4125.7172.8-58.9178.3000107.1I115I113-I115 HydrophobicContact CG2-CG1 4.35Å
114L41.4Very low43.6Very low153 Ų153153.4 Ų153.480%0.80180%0.795SS**  trans-93.7129.8170.7-75.8163.9000108.8L105L105-L114 HydrophobicContact CD2-CD2 4.26Å
115I44.6Very low43.3Very low152 Ų152154 Ų15478%0.77979%0.792SS**  trans-112.1112.3172.6-59.1177.3000106.9I113I113-I115 HydrophobicContact CG2-CG1 4.35Å
116A39.3Very low43.2Very low100 Ų100157.7 Ų157.783%0.82680%0.802SS**PPolyproline II helixtrans-99.2122.1177.700000110.2
117C36.9Very low43.6Very low122 Ų122151.9 Ų151.982%0.82480%0.795SS**PPolyproline II helixtrans-82129.2172.4-64.40000110.1
118S39.6Very low42.9Very low113 Ų113155.8 Ų155.879%0.7980%0.803SS**PPolyproline II helixtrans-78.2133.6179.453.60000112.3
119P49Very low41.5Very low123 Ų123157.2 Ų157.280%0.79981%0.811SS**PPolyproline II helixtrans-79141.6177.831.6-34.5000112.6
120V33.1Very low40.3Very low151 Ų151151.3 Ų151.392%0.91580%0.803SS**PPolyproline II helixtrans-81.1121.4171.1177.60000109.5
121S38.8Very low39.6Very low104 Ų104145.3 Ų145.373%0.72780%0.795SS**PPolyproline II helixtrans-93.3129.6-176.859.30000113.2
122S36.6Very low38.7Very low124 Ų124140.7 Ų140.787%0.86779%0.79SS**  trans-109.4128.616566.60000109.9
123V33.9Very low37.6Very low135 Ų135142.2 Ų142.282%0.81879%0.794SS**  trans-130.7140.7-172.8-179.50000111
124R35.2Very low36.7Very low219 Ų219144.9 Ų144.983%0.82680%0.804SS**  trans-123.4125.7178.1-117.8-173.5176.9-172.82.5111.4
125K37.9Very low36.5Very low172 Ų172143 Ų14375%0.74880%0.804SS**  trans64.9107.8152.5-62-175.8175.9-173.30120
126K35.6Very low35.7Very low203 Ų203144.4 Ų144.488%0.88380%0.8SS**  60.6161.9117.5-80.4-166.8177.2-168.20120.5
127P48.8Very low35.3Very low112 Ų112145 Ų14573%0.72779%0.794SS**  cis-136.6-175.6-19.534.1-14.1000114.8
128K28Very low35.2Very low187 Ų187145.7 Ų145.781%0.81379%0.785SS**  129.4145.7121.8-149.4-169.5179.1-175.70115.1
129V32.1Very low34.8Very low122 Ų122148.5 Ų148.574%0.73979%0.786SS**  trans74.1123.5167.3-166.70000117.4
130T30.9Very low34Very low128 Ų128148.7 Ų148.779%0.78578%0.778SS**  trans-108.4165.6157.853.20000108.5
131P42Very low33.9Very low108 Ų108148.3 Ų148.370%0.70178%0.776SS**  -149172.798.340.9-25000115.8
132T27.9Very low33.8Very low115 Ų115147.6 Ų147.671%0.70677%0.771SS**  trans24.4118.3153.646.80000119.9
133K30Very low33.5Very low197 Ų197150.7 Ų150.786%0.85777%0.772SS**  59.5114.980.9-75.4-169.3173.9-170.40113.8
134E28.2Very low33.5Very low203 Ų203148 Ų14895%0.94977%0.765SS**  -162.9172.8115.2-116.4163.6-157.300111.1
135S38.6Very low33.3Very low114 Ų114146.5 Ų146.580%0.79777%0.767SS**  trans-135.4138-174.553.70000110.2
136Y28Very low32.9Very low181 Ų181143.9 Ų143.971%0.7177%0.77SS**  trans-137.9158.7167.5-158.3-99.2000111.2E138Y136-E138 HydrophobicContact CE1-CB 4.29Å; Y136-E138 HydrophobicContact CE1-CG 4.15Å; Y136-E138 WeakPolarHBondContact CE1-OE2 3.42Å; Y136-E138 VanDerWaalsContact CZ-OE2 3.32Å; Y136-E138 PolarHBondContact OH-OE1 2.85Å; Y136-E138 PolarHBondContact OH-OE2 3.05Å
137T30.6Very low32.8Very low113 Ų113142.6 Ų142.669%0.69377%0.767SS**  trans-117.7-152.4-169.943.50000110.8
138E33.7Very low31.9Very low136 Ų136143 Ų14364%0.63677%0.767SS**  trans76.4111.9175.1-55.4175.5163.500112.5Y136Y136-E138 HydrophobicContact CE1-CB 4.29Å; Y136-E138 HydrophobicContact CE1-CG 4.15Å; Y136-E138 WeakPolarHBondContact CE1-OE2 3.42Å; Y136-E138 VanDerWaalsContact CZ-OE2 3.32Å; Y136-E138 PolarHBondContact OH-OE1 2.85Å; Y136-E138 PolarHBondContact OH-OE2 3.05Å
139E32.3Very low32Very low172 Ų172139.5 Ų139.580%0.80477%0.766SS**  cis69.5139.646.3-141.7-166.8152.500109.6
140I32.5Very low31.7Very low126 Ų126137.4 Ų137.465%0.64677%0.769SS**  cis-151.6149.633.1-63.6152.7000109.8
141V30.4Very low31.7Very low143 Ų143138.9 Ų138.987%0.86777%0.77SS**  trans-158126.4135166.30000109.1
142S36.4Very low31Very low90 Ų90138.7 Ų138.763%0.62977%0.772SS**  trans-82.5-173.4176-48.70000111.6
143E31Very low31Very low188 Ų188144.2 Ų144.288%0.87978%0.78SS**  cis-164.2-163.118.7-149.9161.3177.700109.6
144A33.2Very low31Very low80 Ų80141.7 Ų141.766%0.66177%0.774SS**  trans72.3105.6-179.400000115.3
145E31.4Very low31Very low186 Ų186138.4 Ų138.487%0.86977%0.768SS**  90.698.767.3-82.5-173.9124.100114.4
146S30.2Very low30.7Very low118 Ų118140.1 Ų140.183%0.82577%0.767SS**  178.6151.8118.143.30000113.6
147H32.2Very low31.7Very low175 Ų175136.9 Ų136.981%0.8177%0.768SS**  trans-71.8139.9-173.3-61.4-71.5000112.5
148V30.4Very low31.7Very low122 Ų122137.1 Ų137.174%0.73977%0.769SS**  77.4105.659.21750000114.7
149S30.8Very low31.6Very low112 Ų112137 Ų13778%0.78377%0.769SS**  trans48.2111.8142.9-55.90000123.5
150G25.7Very low31.8Very low78 Ų78135.9 Ų135.980%0.80476%0.761SS**  100.8-163.69800000120.9
151I29.5Very low31.9Very low159 Ų159137 Ų13782%0.81577%0.766SS**  trans85.188.4168.7-50.7177000118.5
152S29.1Very low32.2Very low104 Ų104136 Ų13673%0.72776%0.76SS**  55.8128.5125.5-51.80000123.6
153R27.3Very low31.9Very low232 Ų232134.8 Ų134.888%0.87576%0.762SS**  -171.3120.1113.4-101.8166.3-165.6-174.26.4116.3
154I29.2Very low32.1Very low144 Ų144130.9 Ų130.974%0.73875%0.751SS**  31.9128.5129.6-37.5170.4000120.1
155V29.3Very low32.4Very low134 Ų134137.9 Ų137.981%0.81276%0.76SS**  173146.8120.1154.20000112.7
156L30.7Very low32.6Very low150 Ų150139.5 Ų139.579%0.78576%0.759SS**  trans-105.3-155.8179.2-63.182.1000109.8
157P49.6Very low33Very low112 Ų112138.3 Ų138.373%0.72775%0.75SS**  cis-123.6-158.6-18.736-12.6000111.3
158T30.3Very low33.2Very low118 Ų118139.9 Ų139.972%0.72476%0.755SS**  cis-132.8175.52.972.80000109.2
159E33.2Very low33.3Very low135 Ų135137.9 Ų137.963%0.63175%0.751SS**  cis85.1145.99.1-138.6-142.1149.400118.6
160K34.4Very low33.7Very low147 Ų147142 Ų14264%0.63976%0.755SS**  trans70.7151.2165.7-64.6-178.7166.769.60118.2
161M36.6Very low34Very low149 Ų149142.9 Ų142.973%0.73475%0.748SS**  cis-163.3165-10.3-115.1167.452.200107.8
162T34.8Very low34.1Very low122 Ų122143 Ų14375%0.74875%0.75SS**  cis-138.3-159.95.4-22.90000107.3
163G30.9Very low34.1Very low65 Ų65144.5 Ų144.567%0.6776%0.755SS**  cis171.5-176.44.300000109.1
164T36.1Very low33.9Very low107 Ų107140.5 Ų140.566%0.65675%0.751SS**  cis-152119.9-1.1-70.60000110.7
165R37.9Very low35.3Very low226 Ų226138.9 Ų138.985%0.85375%0.75SS**  trans65.7152.7167.4-62.8168-172.8-178.81.2115
166R36.2Very low35.2Very low221 Ų221137.9 Ų137.983%0.83475%0.749SS**  cis-167.4165.2-5.4-111179.6173.9179.5-2.6106.4
167S38.3Very low35.1Very low92 Ų92138.5 Ų138.564%0.64375%0.748SS**  cis177.6144.1-31.554.80000110.2
168K36Very low33.9Very low208 Ų208140.4 Ų140.490%0.90475%0.747SS**  trans76.6143.1-176.1-65-176.1178-179.90115
169A33.1Very low33.8Very low80 Ų80138.8 Ų138.866%0.66174%0.74SS**  cis-164156.5-13.300000112.4
170K38.6Very low33.6Very low199 Ų199139.4 Ų139.487%0.86574%0.743SS**  trans42.2138.6145.4-65.8-179.5179.9-1730120.7
171S33.2Very low33.4Very low96 Ų96137.8 Ų137.867%0.67175%0.745SS**  cis-177.7146.3-3.448.30000114.4
172L31.8Very low33.1Very low163 Ų163139.4 Ų139.485%0.85375%0.751SS**  trans73.6144.9137-89.1163.1000124.1
173T27.7Very low33Very low135 Ų135137.7 Ų137.783%0.82875%0.75SS**  trans105.5150.2150.1-51.60000117.7
174D24.7Very low33.3Very low148 Ų148141.9 Ų141.979%0.79176%0.755SS**  trans-131.1-133-154.6-166.117.4000110.5
175P58Low33.1Very low109 Ų109141.5 Ų141.571%0.70876%0.757SS**  trans-127.2164.4-136.840.2-20.7000118.2
176S27Very low32.8Very low113 Ų113137.1 Ų137.179%0.7976%0.755SS**  trans-160.1160.8150.379.50000109.5
177Q29.8Very low32.7Very low164 Ų164130.7 Ų130.777%0.76675%0.749SS**  cis75.3143.624-81.8-70.49.700117.5
178E24.5Very low32.4Very low152 Ų152134.8 Ų134.871%0.7176%0.758SS**  trans59.7118.4172.5-72.9-177105.600117.7
179S27.4Very low32.1Very low84 Ų84130 Ų13059%0.58775%0.746SS**  90.5157.874.489.90000112.4
180H28.4Very low31.9Very low147 Ų147130.7 Ų130.768%0.68175%0.746SS**  -166.8171.562-72.9-87.9000112.7
181T31.5Very low31.5Very low113 Ų113126 Ų12669%0.69374%0.739SS**  trans58.6124.515147.20000119.5
182E28.5Very low31.2Very low183 Ų183126.5 Ų126.586%0.85574%0.742SS**  61.1130.970.8-63.6-172.1127.500113.7
183A32.8Very low31Very low87 Ų87125.7 Ų125.772%0.71974%0.739SS**  cis-130.9-165.25.400000109.7
184I38.8Very low31.1Very low153 Ų153125.9 Ų125.979%0.78573%0.733SS**  cis-155.914522.9-7.2176.6000111.5
185S32.1Very low31.3Very low99 Ų99124 Ų12469%0.69273%0.731SS**  trans43121.1139.9-69.40000123.3
186V31.4Very low30Very low133 Ų133127.6 Ų127.681%0.80674%0.736SS**  trans47.8123.7148.1-81.80000119.7
187A33.8Very low30.2Very low86 Ų86127.1 Ų127.171%0.71173%0.733SS**  69142.678.900000113.6
188E32.2Very low30.2Very low179 Ų179127.1 Ų127.184%0.83673%0.733SS**  cis-153.4-16713.3-142178.5-129.400112.8
189T29.4Very low30.7Very low107 Ų107127.1 Ų127.166%0.65674%0.736SS**  trans-38.6165.6-177.3-15.60000121.1
190S29.6Very low30.8Very low95 Ų95127.2 Ų127.266%0.66474%0.742SS**  trans91.9103.2138.2-72.80000121.7
191S29.3Very low31.2Very low101 Ų101126 Ų12671%0.70675%0.745SS**  50.1160.8109.871.60000123.2
192S27Very low31.3Very low106 Ų106131 Ų13174%0.74175%0.751SS**  trans73133.1-17965.50000114.5
193D27.5Very low31.5Very low146 Ų146131.5 Ų131.578%0.78175%0.75SS**  cis96.911930.8-81.4-47.6000114.7
194I29.8Very low31.5Very low139 Ų139133.9 Ų133.971%0.71376%0.756SS**  trans67.9104.4150.4-53.7159.1000118.8F196I194-F196 HydrophobicContact CG2-CD2 4.37Å
195S29.6Very low31.2Very low108 Ų108136.9 Ų136.976%0.75576%0.758SS**  166.7118.1126.255.10000109.6
196F30.1Very low31.4Very low185 Ų185137.5 Ų137.581%0.81176%0.762SS**  79.4113.171.2-84.4-64.6000115.7I194I194-F196 HydrophobicContact CG2-CD2 4.37Å
197S31.5Very low31.4Very low103 Ų103137 Ų13772%0.7275%0.752SS**  trans64.5158148.6-69.30000119.6
198E29.5Very low31.5Very low164 Ų164139.4 Ų139.477%0.76675%0.749SS**  cis-170.3-176.8-23.6-176.3165.8165.200107.5
199I34.7Very low31.4Very low152 Ų152140.6 Ų140.678%0.77975%0.746SS**  trans77.5110.7168.8-46169000113.7
200A30.2Very low31.6Very low85 Ų85144.4 Ų144.470%0.70275%0.753SS**  cis99.3163.122.700000115.8
201T35.4Very low32Very low122 Ų122148 Ų14875%0.74876%0.764SS**  trans87.3142.6-173.575.70000115.9
202R35Very low32Very low218 Ų218153 Ų15382%0.82377%0.773SS**  cis-160.8142.7-5.5-118.5164.5-168.9-173.93.6112.5
203K31.7Very low32.1Very low193 Ų193151.6 Ų151.684%0.83977%0.768SS**  trans33.8141.6147.7-66.7-179.2174.7178.10120.4
204T32.5Very low32.6Very low137 Ų137153.2 Ų153.284%0.8477%0.771SS**  -159-172.257.748.80000111.4
205R32.9Very low32.4Very low216 Ų216153.6 Ų153.682%0.81578%0.78SS**  -165.4105.1-54.2175.2-161.4168.7-175.9-4.1110
206S36.8Very low32.3Very low112 Ų112155.2 Ų155.278%0.78378%0.776SS**  trans-161.8107.8158.2-160.60000108.3
207M31.1Very low33Very low122 Ų122154.8 Ų154.860%0.60177%0.773SS**  63.3126.978.2-61.8-66.4-69.100113.8
208Q34.9Very low32.7Very low137 Ų137159.8 Ų159.864%0.6478%0.782SS**  cis-170.8148.3-23.6-128.7-171.749.500105.7
209R31.5Very low33.3Very low205 Ų205159.3 Ų159.377%0.77479%0.785SS**  cis-151.2160.928.4-66.4177.7165165.3-5.5111.9
210K34.1Very low32.9Very low187 Ų187157.4 Ų157.481%0.81379%0.785SS**  trans38.8123.1143.2-68.7-176.7179.1-171.50119.3
211L37.3Very low32.9Very low171 Ų171160.6 Ų160.690%0.89578%0.783SS**  cis-148.6143.8-6.5-78168.3000106.7
212K28Very low32.5Very low204 Ų204161.2 Ų161.289%0.88778%0.78SS**  trans-127.5126.3-175.7-150.8-177.8-176-177.60113.4
213A30.8Very low32.8Very low77 Ų77157.2 Ų157.264%0.63678%0.78SS**  trans32.9131.9146.700000122.6
214Q37.6Very low33.2Very low181 Ų181153.8 Ų153.885%0.84678%0.777SS**  trans63.6132.2139-66.1-177.420.700121.4
215T24.7Very low32.9Very low147 Ų147150.4 Ų150.490%0.90277%0.769SS**  -152.3176.4126.8-8.40000110.5
216E27.3Very low32.8Very low142 Ų142147.5 Ų147.566%0.66477%0.77SS**  trans-74.2153.2-153.4-60.4-171.190.300119.1
217K45.9Very low32.7Very low176 Ų176149.2 Ų149.277%0.76577%0.766SS**  trans35.1105.5136.2-59.2165.4-174.2151.30118.5
218K25.5Very low32.8Very low208 Ų208152.1 Ų152.190%0.90478%0.775SS**  trans-142.3158143.9-80.5-158.2175.2-1750111.7
219D41.2Very low32.5Very low153 Ų153152.2 Ų152.282%0.81878%0.775SS**  trans-70.5136.1179.1-62.5-92.4000113.9
220S26.1Very low32.3Very low112 Ų112150.6 Ų150.678%0.78378%0.78SS**  trans-151138.1151.756.30000106.7
221K30.2Very low32.1Very low152 Ų152147.2 Ų147.266%0.66178%0.775SS**  cis76.4112.513.3-145-145.3173.9-168.30115.6
222I28.3Very low31.7Very low136 Ų136142.6 Ų142.670%0.69777%0.769SS**  trans96123.8165.4-55.4177.9000116
223V40.7Very low31.7Very low133 Ų133139.3 Ų139.381%0.80677%0.766SS**  trans-89.7131.6168.5164.40000107.9
224P40.8Very low32Very low122 Ų122140.9 Ų140.979%0.79277%0.77SS**  -132.2159.499.637.5-27.7000112.3
225G26.2Very low31.7Very low65 Ų65138.7 Ų138.767%0.6777%0.769SS**  cis117.9103.64.300000111.6
226N30.2Very low31.7Very low156 Ų156138.8 Ų138.883%0.83476%0.764SS**  trans-156.2151.1161.254-5.3000111.9
227E34.1Very low31.7Very low148 Ų148135.9 Ų135.969%0.69276%0.759SS**  trans-111.3138.3-174.7177.2-173.4165.700109.4Q229E227-Q229 HydrophobicContact CG-CG 4.36Å; E227-Q229 PolarHBondContact OE1-NE2 3.38Å
228K33.6Very low31Very low182 Ų182135.3 Ų135.379%0.79176%0.759SS**  trans-148.6119.4164-65.7-168.1-179.9-172.60105.1
229Q29Very low31.2Very low139 Ų139132.6 Ų132.665%0.6575%0.754SS**  cis52.190.829.2-67.5-157.545.500112.7E227E227-Q229 HydrophobicContact CG-CG 4.36Å; E227-Q229 PolarHBondContact OE1-NE2 3.38Å
230I26Very low31Very low171 Ų171129.4 Ų129.488%0.87774%0.744SS**  trans-106.9111.4156.3-62.5175.7000105.4
231V30.5Very low31.2Very low116 Ų116131.2 Ų131.270%0.70375%0.745SS**  trans-125.7137.1174.51700000108.1
232G29.1Very low31.4Very low75 Ų75128.9 Ų128.977%0.77374%0.743SS**  trans31.6113.4157.700000120.1
233T28.1Very low31.6Very low135 Ų135133.3 Ų133.383%0.82875%0.752SS**  trans-148139.4156.6-48.30000108.5
234P35.9Very low32Very low110 Ų110131.8 Ų131.871%0.71474%0.744SS**  cis-118.7-172.4-23.638.9-24.3000112.1
235V31.7Very low31.6Very low135 Ų135132.3 Ų132.382%0.81875%0.745SS**  trans-86.6131.1162.9169.50000110.4
236N26Very low32.2Very low149 Ų149134.3 Ų134.380%0.79775%0.749SS**  trans-172.2146.2155.5-82.3-34.2000105.5
237S27.2Very low32.2Very low80 Ų80134.6 Ų134.656%0.55975%0.745SS**  cis-161.9165-7.746.40000108.6
238E29.8Very low32.3Very low164 Ų164133.3 Ų133.377%0.76674%0.742SS**  trans59.8113.3156.9-74.8137.8-147.700118.3
239D31.6Very low32.3Very low152 Ų152132.8 Ų132.881%0.81374%0.743SS**  85.1147.778-86.9-8.9000113.5
240S35.6Very low32.3Very low86 Ų86130.2 Ų130.260%0.60175%0.745SS**  cis-173.5141.6-19.859.30000110.3
241D29.6Very low32.6Very low150 Ų150133.6 Ų133.680%0.80275%0.747SS**  trans-171.5134.3151.4-107.1-29.3000112.3
242T35Very low32.7Very low102 Ų102132 Ų13263%0.62674%0.74SS**  cis-156.5148.9-29.24.10000111.8
243R32.3Very low32.8Very low230 Ų230136 Ų13687%0.86874%0.743SS**  trans69156.2150-73.4178.7177.3-167.1-0.6120.5
244P49.3Very low33Very low101 Ų101134 Ų13466%0.65674%0.735SS**  cis-142.2164.4-3238.1-20.9000116.9
245T33Very low32.8Very low132 Ų132137 Ų13781%0.8174%0.74SS**  trans66.2142.5152.544.40000120.5
246S38.6Very low32.7Very low107 Ų107136.9 Ų136.975%0.74873%0.733SS**  cis-166.7164.4-5.750.20000114.8
247H29.6Very low32.8Very low162 Ų162137.4 Ų137.475%0.7574%0.736SS**  trans99.584.4139.4-144.6-89.5000124.8
248L36.6Very low33.3Very low121 Ų121142.7 Ų142.763%0.63475%0.749SS**  trans68.9129.4131.6-59.8-166.7000126.9
249Q33.4Very low33.9Very low172 Ų172141.1 Ų141.180%0.80475%0.753SS**  trans72155.2137.7-69.2175.811.100122.8
250A30.1Very low33.9Very low84 Ų84140.3 Ų140.369%0.69475%0.748SS**  cis-176.4154-31.800000113.5
251R30.9Very low33.8Very low242 Ų242144.3 Ų144.391%0.91376%0.755SS**  trans65.4158.5161.9-84-171144.2135.4-3.3120.5
252S32.9Very low33.9Very low82 Ų82146.7 Ų146.757%0.57375%0.754SS**  cis-177.1144.4-3452.90000115.3
253L31.2Very low33.8Very low160 Ų160146.5 Ų146.584%0.83875%0.75SS**  trans73.8131141.2-75.5166.7000126.1
254S32Very low33.7Very low94 Ų94143 Ų14366%0.65775%0.748SS**  77.5115.5127.370.40000126.7
255E32.2Very low33Very low173 Ų173145 Ų14581%0.80875%0.753SS**  81.9146.4121.8-83.1-167.3138.100127.7
256I30.4Very low32.9Very low132 Ų132147.8 Ų147.868%0.67775%0.754SS**  trans91.1121.2142.9-77.2159.9000124
257N27.7Very low32.8Very low160 Ų160149.4 Ų149.486%0.85676%0.755SS**  trans61.8157.9149.9-73.7-22.4000126.1
258K37.1Very low33.1Very low190 Ų190148.6 Ų148.683%0.82676%0.756SS**  trans-115.8160170.8-63.8-176177.1-175.40111.2
259P42.3Very low33.1Very low131 Ų131149.6 Ų149.685%0.85176%0.762SS**  -148.7-157.9109.438.4-19.7000115.4
260N32.4Very low33.1Very low135 Ų135149.7 Ų149.772%0.72276%0.76SS**  trans-113.9-175.6-165.1-76.2-7.7000115.5
261F33.9Very low33.1Very low170 Ų170151.9 Ų151.975%0.74677%0.77SS**  trans90.8156.4167.4-58.3-81.4000116.4
262Y31.7Very low33.1Very low200 Ų200148.8 Ų148.878%0.78477%0.766SS**  cis-141.4176.524.2-118.5-80.7000116
263N33.2Very low33Very low99 Ų99156 Ų15653%0.52978%0.78SS.*  trans-76.2175.7-161.7-41.2-13.3000118.8
264N29.7Very low32.9Very low156 Ų156153.4 Ų153.483%0.83478%0.775SS**  -172.2152.6107.1-87.9-16.3000114
265D34.5Very low32.9Very low142 Ų142153.6 Ų153.676%0.75978%0.777SS**  trans-113.2173.2-178.8-63.2-73000112.6
266F29.8Very low32.8Very low191 Ų191153.1 Ų153.184%0.83878%0.775SS**  trans-168.4113.7148.1-111.4-69.3000113.7
267D37.3Very low32.8Very low142 Ų142152.9 Ų152.976%0.75978%0.775SS**  trans18.5150146.4-41.8-17.4000122.7
268D36.3Very low33Very low145 Ų145151.8 Ų151.878%0.77577%0.767SS**  cis-148.7-124.7-29.8-162.3-6000109.3
269D35.4Very low32.5Very low141 Ų141149.3 Ų149.375%0.75476%0.762SS**  cis-156.5175.40.6-178.422.2000109.9
270F33.6Very low31.6Very low175 Ų175149 Ų14977%0.76876%0.758SS**  trans-93.6147-172.9-82.9-117.7000116.6
271S30.5Very low31.4Very low129 Ų129148.1 Ų148.190%0.90276%0.758SS**  trans-174.6166.3131.4-93.20000118
272H31.5Very low31Very low178 Ų178147 Ų14782%0.82476%0.755SS**  trans-73.8148.2-156.1-115.1-118.1000121.3
273R30.4Very low30.9Very low233 Ų233144.1 Ų144.188%0.87975%0.749SS**  trans-28.5130.8154.3172.6-153.9-83.9-148.8-5.3118.5
274S28.4Very low30.6Very low105 Ų105146.9 Ų146.973%0.73476%0.758SS**  trans-167.5131.6145.4330000107.4
275S32.2Very low30.5Very low98 Ų98144 Ų14469%0.68576%0.756SS**  93102.950.774.30000114.9
276E30.5Very low30.1Very low164 Ų164144.2 Ų144.277%0.76676%0.757SS**  trans67.9149.1145.9-54.1-177.9-168.600122.6
277N30.3Very low30.1Very low127 Ų127141 Ų14168%0.67975%0.753SS**  trans71.3153.2150.4-60.2-28.7000119.1
278I31Very low29.7Very low136 Ų136143 Ų14370%0.69776%0.758SS**  cis-158.8156.3-23.9-115.3165.9000109.5
279L26.7Very low29.4Very low138 Ų138140.8 Ų140.872%0.72375%0.754SS**  trans13.7139161.1-63.8167.2000123.5
280T25Very low29.1Very low124 Ų124141.2 Ų141.276%0.76176%0.755SS**  trans67.7157.6147.256.70000117.7
281V27.6Very low28.9Very low118 Ų118142.5 Ų142.572%0.71576%0.76SS**  cis-147.9174.314.7-132.40000108.2
282Q26.4Very low28.9Very low146 Ų146144.6 Ų144.668%0.68276%0.756SS**  cis-161.2145.40.1-166.7166.7-55.100110.2
283E28.9Very low28.6Very low140 Ų140142.2 Ų142.265%0.65475%0.754SS**  trans59.2161.6158.2-81.8179109.100120.3
284Q27Very low28.5Very low156 Ų156140.6 Ų140.673%0.72975%0.753SS**  cis-151.5142.57.3-142166.849.800112.3
285A26.7Very low28.5Very low95 Ų95144.9 Ų144.979%0.78576%0.762SS**  trans52.6151.215800000119.8
286N26.5Very low28.1Very low148 Ų148146.6 Ų146.679%0.79176%0.763SS**  cis-165.8168.720-161.5-1000111.4
287V30.8Very low27.9Very low124 Ų124143.2 Ų143.275%0.75276%0.757SS**  trans66107.1163.5-164.50000119.7
288E28.9Very low27.9Very low184 Ų184145.1 Ų145.186%0.8676%0.759SS**  trans-93.1165.8158.4-100-170.7119.100111.4
289S28Very low27.7Very low98 Ų98144.2 Ų144.269%0.68576%0.756SS**  cis-159.2155.8-250.50000111
290L30Very low27.9Very low149 Ų149144.7 Ų144.778%0.7876%0.758SS**  trans-71.8162.6167.8-65.684.5000112.8
291K29.1Very low28.1Very low202 Ų202144.4 Ų144.488%0.87875%0.752SS**  -172.1160.7108.8-98151.7-170.4166.30115
292E31.8Very low28.4Very low174 Ų174146.5 Ų146.581%0.81375%0.754SS**  trans-78.4156.1-170.3-53.215599.300113.3
293T23.4Very low28.5Very low128 Ų128148.1 Ų148.179%0.78577%0.767SS**  trans-157.9138.9141.2-10.50000114
294K30Very low28.7Very low199 Ų199145.2 Ų145.287%0.86577%0.767SS**  trans4.5131152-58.2165.5-175.4171.20117.9
295Q28.4Very low28.8Very low194 Ų194145.8 Ų145.891%0.90778%0.775SS**  trans-113.4150.2154.2-167.2165.3-1.700111.2
296N23.5Very low29Very low135 Ų135144.3 Ų144.372%0.72277%0.769SS**  trans-135.1131.1-178176.330.3000109
297C26.3Very low29.2Very low93 Ų93144.7 Ų144.763%0.62877%0.77SS**  trans58.2138159-85.40000121
298K29.3Very low29.2Very low167 Ų167144.9 Ų144.973%0.72677%0.772SS**  trans74.1149144.2-66.4-178.1151.1-650117.6
299D28.2Very low29.1Very low117 Ų117143.3 Ų143.363%0.62677%0.769SS**  cis-159.8-164.1-7.2-104-18.3000108.1
300L31.1Very low29.3Very low147 Ų147147.9 Ų147.977%0.7778%0.78SS**  trans102.3103.5172.4-55.9-177.7000113.9
301N28Very low29.2Very low119 Ų119144.4 Ų144.464%0.63678%0.78SS**  84146.478-75.331000111
302E33.5Very low29.4Very low161 Ų161144.7 Ų144.775%0.75278%0.781SS**  cis-163.3146.7-10.9-113.1166145.100106
303D29.6Very low29.2Very low180 Ų180144.5 Ų144.596%0.96378%0.78SS**  trans-166.3153.6144.6-112.1-31.7000110.1
304A32Very low29.4Very low80 Ų80145.3 Ų145.366%0.66178%0.778SS**  trans-124.1154.2-166.700000113.2
305N30.5Very low29.4Very low168 Ų168143 Ų14390%0.89878%0.775SS**  -171.6143.8122.6-92.9-35.5000112.3
306G29.6Very low29.4Very low64 Ų64140.6 Ų140.666%0.6676%0.764SS**  trans-100.1-162.715400000109.9
307I31.9Very low29.9Very low155 Ų155141.4 Ų141.480%0.79576%0.761SS**  cis-162.9157.44-133.7160.8000108.9
308T31.2Very low30.1Very low129 Ų129142 Ų14279%0.79177%0.766SS**  trans53.7129.316850.30000121.1
309D26.5Very low30.2Very low151 Ų151139 Ų13981%0.80777%0.766SS**  trans-82.4138.9145.7168.430.8000109
310E31.3Very low30.4Very low194 Ų194141.5 Ų141.591%0.90777%0.774SS**  trans-172.6127.2145.8-87.2-140.5-135.700110.1
311G28.7Very low30.5Very low76 Ų76141.1 Ų141.178%0.78477%0.772SS**  trans101.4123.5160.400000118.2
312K33.7Very low30.6Very low208 Ų208144 Ų14490%0.90478%0.779SS**  trans-84157.5169.4-61.4175.5177.2178.30111.5
313E25.6Very low30.4Very low169 Ų169143.4 Ų143.479%0.7978%0.781SS**  trans-153.6148.9132.2-128.8-158.914900116.9
314I29.1Very low30.4Very low145 Ų145142.1 Ų142.174%0.74477%0.773SS**  trans38.7103.2163.651.6168.7000123.4
315N29.6Very low30.5Very low152 Ų152142.5 Ų142.581%0.81377%0.771SS**  -148.3159115.776.5-30.1000109.5
316E28.6Very low30.5Very low142 Ų142141.8 Ų141.866%0.66476%0.762SS**  cis-151.1177.6-16.9-137.1-150.2144.400111.2
317K33.7Very low30.5Very low153 Ų153144.3 Ų144.367%0.66576%0.76SS**  trans41109.9158.9-73.2179.4-179.281.50121.5
318S30.6Very low30.6Very low105 Ų105144 Ų14473%0.73476%0.755SS**  94.4126.8122.173.90000122.1
319S32.1Very low30.5Very low103 Ų103143 Ų14372%0.7275%0.745SS**  trans66.9142.9158.617.10000118.1
320Q32.6Very low30.8Very low171 Ų171142 Ų14280%0.79975%0.745SS**  cis-159.3145.4-0.5-123.1168.814.900112.1
321L31.4Very low30.8Very low139 Ų139137.3 Ų137.373%0.72873%0.732SS**  trans74.7126.3151.1-64.9173000123.8
322K30.6Very low31.1Very low179 Ų179140.4 Ų140.478%0.77873%0.73SS**  trans84.187.4142.5-69.2172.1-179.3179.30121.5
323N29.3Very low31.1Very low149 Ų149137.1 Ų137.180%0.79772%0.718SS**  16.9141.5119.2-52.5-18.7000118.4
324L29Very low31.4Very low152 Ų152136 Ų13680%0.79671%0.712SS**  -159.4156.460.3-84.1163.8000113.2
325S34.2Very low31.4Very low88 Ų88135.1 Ų135.162%0.61571%0.709SS**  trans45.5141.9143.6-64.50000120.8
326E31.7Very low31.3Very low154 Ų154134.7 Ų134.772%0.7271%0.706SS**  cis-176.7176.86.4-117.3161.568.200107.9
327L29.6Very low31.3Very low117 Ų117133 Ų13361%0.61371%0.709SS**  cis-149.7147.71.5-103.3178.9000106.7
328Q33.3Very low31.1Very low148 Ų148134.3 Ų134.369%0.69272%0.718SS**  trans57.1153.7139.7-62.6-172.8-59.100122.5
329D30.5Very low30.9Very low108 Ų108139.2 Ų139.258%0.57872%0.72SS**  cis-164.1133.3-18.2-109.6-19.5000112.1
330T31.7Very low30.6Very low130 Ų130142 Ų14280%0.79872%0.722SS**  trans62.7172.3146.477.20000118.2
331C31Very low30.3Very low96 Ų96139.5 Ų139.565%0.64972%0.723SS**  cis-151.4144.6-5.9109.30000110.7
332L36.2Very low30.1Very low140 Ų140138.9 Ų138.973%0.73373%0.725SS**  trans44.7156.3137.4-48.2-178.6000120.8
333Q32.2Very low30.5Very low140 Ų140135.7 Ų135.765%0.65472%0.723SS**  cis-158.4136.6-9.9-111167.9-25.300106.1
334Q31.8Very low30.4Very low144 Ų144137.9 Ų137.967%0.67373%0.728SS**  80.3139.475-155.5-160.5-8.800114.6
335L30.1Very low30.4Very low127 Ų127137.7 Ų137.767%0.66573%0.728SS**  trans94.9104.5160.9-53.3-178.8000121.8
336L26.6Very low30.2Very low143 Ų143142.1 Ų142.175%0.74974%0.736SS**  68.9109.4119.2-60.1-179.7000123.1
337S29.1Very low29.9Very low106 Ų106142.4 Ų142.474%0.74174%0.743SS**  83.2150.4111.5-61.80000124.1
338Q29.1Very low29.8Very low181 Ų181141.7 Ų141.785%0.84675%0.754SS**  trans97.377.8140.8-145.8162.339.500121.1
339R26.4Very low29.6Very low209 Ų209141 Ų14179%0.78976%0.759SS**  47.2127.5122.3-85.4-177.9172-156.21.1121.5
340H26.3Very low29.7Very low161 Ų161141.1 Ų141.175%0.74577%0.768SS**  trans104.3147.7135.8-65.2-30.1000120.8
341S25.6Very low29.5Very low119 Ų119140.5 Ų140.583%0.83276%0.764SS**  trans80.7105.6170.3-147.20000120.3
342T27.4Very low29.4Very low126 Ų126145 Ų14577%0.77378%0.775SS**  trans-65.1-176.5148.7290000112.3
343P40Very low29.3Very low111 Ų111142.8 Ų142.872%0.72177%0.772SS**  cis-130.1168.3-11.435.3-19.3000114.9
344Q26.4Very low29.7Very low196 Ų196143.7 Ų143.792%0.91678%0.781SS**  trans-157.5-175.4137.4-120.8-175.444.100114.7
345N28.8Very low29.9Very low147 Ų147144.5 Ų144.579%0.78679%0.789SS**  trans-95.5154.8-151.1-97.6-59.4000117.3
346K29.8Very low30.3Very low181 Ų181144.9 Ų144.979%0.78779%0.792SS**  trans-48.8136171.2-53.2167-176.9179.50113.1
347N26.6Very low31Very low161 Ų161143.7 Ų143.786%0.86180%0.796SS**  172.9119114.5-85.1-16.5000111
348A27.3Very low31.5Very low102 Ų102145.7 Ų145.784%0.84379%0.793SS**  trans-143.3131.6165.700000109.1
349V29.6Very low32.2Very low132 Ų132141.2 Ų141.280%0.879%0.787SS**  trans-139.5117.7178.5172.50000109.2V351V349-V351 HydrophobicContact CG1-CG2 3.87Å
350S31.2Very low33Very low111 Ų111136.8 Ų136.878%0.77678%0.783SS**  trans-146.6124156.2440000105.1
351V28.7Very low33.8Very low118 Ų118137 Ų13772%0.71579%0.786SS**  cis56.28536.1-167.80000110.7V349V349-V351 HydrophobicContact CG1-CG2 3.87Å
352H29Very low34.5Very low190 Ų190139.4 Ų139.488%0.8878%0.782SS**  trans-119.2109.1151.7-142.9-62.8000107.8
353S34Very low35.3Very low93 Ų93138.1 Ų138.165%0.6578%0.778SS**  trans-79.9157.2172.448.10000110.8
354N39.8Very low35.3Very low160 Ų160140.9 Ų140.986%0.85679%0.786SS**  trans-60.2147.5175.5-58.9-69000112.4
355L37.1Very low35.9Very low160 Ų160137.2 Ų137.284%0.83878%0.777SS**  trans-159.3165.6147.9-109.1172.1000109.3
356N36.8Very low36.5Very low135 Ų135138.9 Ų138.972%0.72278%0.78SS**  trans74.849.4168.9-52.2-9.1000118.4E358N356-E358 PolarHBondContact O-N 2.89Å
357S42.2Very low36.8Very low119 Ų119136.6 Ų136.683%0.83278%0.782SS**THydrogen-bonded Turntrans-82.628163.4650000113.9
358E39.7Very low37.1Very low147 Ų147139.5 Ų139.569%0.68779%0.787SS**THydrogen-bonded Turntrans-108-21.1-170.9-162.7174.5160.200113.4N356 V360N356-E358 PolarHBondContact O-N 2.89Å; E358-V360 VanDerWaalsContact C-N 3.3Å; E358-V360 PolarHBondContact O-N 2.96Å
359A43.3Very low37.3Very low87 Ų87139.3 Ų139.372%0.71979%0.786SS**G310 helixtrans-72.4-17-176.800000114.7
360V44.4Very low37.3Very low117 Ų117139.6 Ų139.671%0.70979%0.787SS**G310 helixtrans-89.6-15.5-171.5-175.20000112.9E358 K362E358-V360 VanDerWaalsContact C-N 3.3Å; E358-V360 PolarHBondContact O-N 2.96Å; V360-K362 PolarHBondContact O-N 3.15Å
361M41.9Very low37.3Very low164 Ų164140.7 Ų140.781%0.80879%0.789SS**G310 helixtrans-88.38.2-175.6-75.8-72.8-70.500114.7
362K41.4Very low37.4Very low170 Ų170143.8 Ų143.874%0.73980%0.796SS**G310 helixtrans-117.68.5-174.8-67.2-172.1177.4179.90115.4V360V360-K362 PolarHBondContact O-N 3.15Å
363S42.7Very low37.6Very low100 Ų100141.2 Ų141.270%0.69979%0.793SS**SBendtrans-115.810.2-176.356.50000115.3
364L40.5Very low37.4Very low168 Ų168140.4 Ų140.488%0.8880%0.8SS**SBendtrans-130.841.5-177.4-160.968.1000113.1
365T39.9Very low36.8Very low119 Ų119144.1 Ų144.173%0.7380%0.802SS**  trans-129.833.2-177.750.20000114
366Q41.1Very low36.4Very low182 Ų182146.8 Ų146.885%0.8580%0.801SS**  trans-157.3102164.6-14714531.200113.3
367T36.2Very low36.2Very low134 Ų134147.4 Ų147.482%0.82280%0.804SS**  trans166.663.4149.432.10000112.6
368F32.1Very low35.7Very low222 Ų222147.5 Ų147.597%0.97480%0.795SS**  trans-142.5103.6154.9-79.3-68.1000109.3
369A32.2Very low35.2Very low98 Ų98149.8 Ų149.881%0.8180%0.803SS**  trans-118.4145.3170.300000109
370T29.8Very low34.5Very low137 Ų137155.8 Ų155.884%0.8481%0.813SS**  trans-65.5135.8-166.9-530000113.3
371V30.1Very low33.9Very low135 Ų135159.8 Ų159.882%0.81882%0.821SS**  trans-84110.1164.2175.60000108.5
372E31.1Very low33.3Very low183 Ų183157.4 Ų157.486%0.85582%0.82SS**  trans-100.6144.3174.6-169.2166.5-141.200111.1G374E372-G374 PolarHBondContact O-N 2.99Å
373V34.1Very low33.4Very low136 Ų136155.2 Ų155.282%0.82482%0.823SS**  trans-96.698.5-167.6-177.90000111.4R375V373-R375 PolarHBondContact O-N 3.11Å
374G29.3Very low32.7Very low76 Ų76158.1 Ų158.178%0.78483%0.829SS**PPolyproline II helixtrans-68.7122176.400000113.6E372E372-G374 PolarHBondContact O-N 2.99Å
375R26.7Very low32.3Very low237 Ų237160 Ų16089%0.89483%0.83SS**PPolyproline II helixtrans-83.7130.9172.9177.1-174.5-75.4-120.12.6110.9V373V373-R375 PolarHBondContact O-N 3.11Å
376W29.6Very low31.7Very low217 Ų217159 Ų15982%0.82284%0.835SS**PPolyproline II helixtrans-72.6140177.2-165.6-70.6000112.9
377N31.2Very low31.5Very low147 Ų147156 Ų15679%0.78683%0.833SS**  trans-170.3160.6156.5-103.2-25.2000112.4
378D31.7Very low31.3Very low122 Ų122157.1 Ų157.165%0.65283%0.834SS**  trans-97.5172.5-160.2-58.4-54.6000117.8
379K29.3Very low31.3Very low195 Ų195154.8 Ų154.885%0.84883%0.831SS**  trans74.1109.7156.9-67.1167.9-178.8166.20119
380K28.9Very low31.3Very low213 Ų213155.7 Ų155.793%0.92683%0.827SS**  -163.2169.4109-106.8165-175.7176.30113
381K31.6Very low31.3Very low200 Ų200156.2 Ų156.287%0.8782%0.82SS**  trans-108.9178.3-178.4-66.5-178.3175.7-179.30111.3
382S30.5Very low31.3Very low114 Ų114158.8 Ų158.880%0.79782%0.82SS**  trans105.3163.1160.383.50000115.6
383P42.6Very low31.2Very low124 Ų124153.7 Ų153.781%0.80582%0.817SS**  -135.1-174.4-8438.6-20.3000115.6
384I29.2Very low31Very low162 Ų162154.5 Ų154.583%0.83182%0.816SS**  trans-81.8136.4-175.8-51.6156.1000112.2
385K30.6Very low31.1Very low207 Ų207156.7 Ų156.790%0.982%0.818SS**  179.6162125.9-99.5173.7-178.2-175.60114
386A29Very low31.3Very low99 Ų99149.5 Ų149.582%0.81882%0.818SS**  trans-115.6170.3-167.700000113.5
387S36.6Very low31.5Very low117 Ų117142.7 Ų142.782%0.81882%0.815SS**  trans-163.7135.9152.352.70000111.2
388D31.5Very low31.7Very low158 Ų158140.7 Ų140.785%0.84581%0.813SS**  trans-82.3149.9172-55.6-79.7000112.5
389L32.3Very low31.9Very low174 Ų174141 Ų14191%0.91182%0.815SS**  trans-168.7170.7136.2-111.1155.6000111.9
390T31.2Very low32.3Very low116 Ų116138.3 Ų138.371%0.71281%0.809SS**  trans-114.4168.8-156.1-20.10000114.3
391E30.7Very low32.6Very low149 Ų149135.2 Ų135.270%0.69680%0.798SS**  trans93.1132.9144.8-87.7180164.200122.5
392F29.2Very low32.8Very low188 Ų188133.5 Ų133.583%0.82579%0.793SS**  trans53.5136.5158.3-54.3-59.5000123.1
393G29.9Very low32.7Very low77 Ų77135 Ų13579%0.79479%0.788SS**  trans148.396.6148.400000118.5
394D28.7Very low32.1Very low152 Ų152134.6 Ų134.681%0.81379%0.788SS**  trans20.4122.3151.1-7814.4000124.3
395C33.1Very low31.9Very low122 Ų122131.6 Ų131.682%0.82478%0.777SS**  52.5112.7119.9-61.70000123.6
396G30.7Very low31.9Very low86 Ų86127.5 Ų127.589%0.88777%0.769SS**  trans92.3134.1140.400000117.1
397G32.3Very low31.9Very low74 Ų74129.7 Ų129.776%0.76377%0.766SS**  cis123104.8-13.300000115.2
398S35.6Very low31.4Very low105 Ų105128.9 Ų128.973%0.73476%0.76SS**  trans71.6137.5160-168.80000118.2
399D37.1Very low31.3Very low129 Ų129127.7 Ų127.769%0.6976%0.758SS**  cis-166.9179.1-21.2-92.8-37000108.7
400D37.7Very low31.2Very low138 Ų138124.5 Ų124.574%0.73875%0.751SS**  trans84.4122.7135.6-81.43.8000125.4
401E35.7Very low31.4Very low149 Ų149127.6 Ų127.670%0.69676%0.757SS**  trans90.5107.1130.2-61.8-69.782.600124.2
402E34.6Very low31.7Very low163 Ų163127 Ų12776%0.76276%0.758SS**  83.1156.5117-79.2-67162.200126.7
403E28.1Very low32Very low145 Ų145125.2 Ų125.268%0.67876%0.755SS**  trans74.5104.2157.2-155.1169.6-167.700123.3T405E403-T405 WeakPolarHBondContact CG-OG1 3.31Å; E403-T405 PolarHBondContact OE1-OG1 2.9Å
404S30.5Very low32.2Very low116 Ų116128.6 Ų128.681%0.81175%0.754SS**  trans-168.8127.1130.534.20000108.1
405T25.9Very low32.5Very low99 Ų99127.2 Ų127.261%0.60776%0.757SS**  cis69.4107.926.9-36.80000112.8E403E403-T405 WeakPolarHBondContact CG-OG1 3.31Å; E403-T405 PolarHBondContact OE1-OG1 2.9Å
406V28.8Very low32.3Very low121 Ų121131.1 Ų131.173%0.73376%0.763SS**  160.1113.8126.5160.60000114.6
407I30Very low32.3Very low145 Ų145130.7 Ų130.774%0.74476%0.759SS**  trans60.3113.5133.1-57.6-178.3000123.5
408S26.5Very low32.2Very low100 Ų100134.5 Ų134.570%0.69976%0.762SS**  48.8125.8123.1-43.40000127
409V28.3Very low32.1Very low134 Ų134135.9 Ų135.981%0.81277%0.765SS**  42.3117.2119.3-171.60000122.1
410S31.3Very low31.8Very low107 Ų107135.7 Ų135.775%0.74876%0.764SS**  trans-174.811813444.50000108.8
411E35.8Very low31.5Very low180 Ų180137.4 Ų137.484%0.84177%0.765SS**  85.7116.385.3-75.5-174.5172.600116.2
412D35.6Very low31.2Very low136 Ų136138.1 Ų138.173%0.72777%0.769SS**  trans53.9117.6143.3-75.424000124.8
413M35.1Very low30.9Very low152 Ų152135.5 Ų135.575%0.74977%0.767SS**  178.2170.9105.2-96.4-62.211300114.6
414N34.7Very low30.8Very low147 Ų147135.5 Ų135.579%0.78677%0.772SS**  trans-110.2152.6-171.7-49.7-81.8000114.4
415S34.6Very low30.9Very low124 Ų124136.8 Ų136.887%0.86778%0.775SS**  trans-165.8158.4146.354.80000113
416E30.5Very low31.1Very low204 Ų204142.3 Ų142.395%0.95379%0.785SS**  trans-98.1166-175.5-60.5163.2102.800113.6
417G30.4Very low31.1Very low77 Ų77144 Ų14479%0.79479%0.789SS**  trans176.1114.316600000114.8
418N29.3Very low30.8Very low154 Ų154147.5 Ų147.582%0.82479%0.794SS**  trans-112.2139.5172.7-70.9-66.2000111.3
419V33.4Very low31Very low134 Ų134148.7 Ų148.781%0.81280%0.797SS**  trans-174140.3138.2-92.30000106.3
420D31.1Very low30.9Very low125 Ų125147.6 Ų147.667%0.66880%0.796SS**  cis122.8153.78.5-86.6-44.4000110.4
421F30.5Very low30.6Very low173 Ų173147 Ų14776%0.75980%0.797SS**  trans72142.9172.1-59.6-70.9000117.8
422E29.6Very low31.2Very low164 Ų164143.2 Ų143.277%0.76679%0.788SS**  cis-163.6-166.2-21.6-145.5179.9165.700110.4
423C29.1Very low30.8Very low109 Ų109143.2 Ų143.274%0.73679%0.788SS**  trans78.189.8161.1-61.80000119.8
424D26.5Very low30.4Very low145 Ų145143 Ų14378%0.77579%0.788SS**  18.3135.1124-79.8-47.7000120.8
425T32.3Very low30.4Very low142 Ų142141.8 Ų141.887%0.87179%0.792SS**  -162.5155107.7-75.50000110.3
426R29.3Very low30.3Very low216 Ų216145 Ų14582%0.81579%0.793SS**  trans-94.3143.9-167.9-64179.7-179.31701.9115.1
427L29.3Very low30.1Very low155 Ų155139.2 Ų139.281%0.81279%0.788SS**  trans23.6124.4137.2-57172.2000119.2
428Y23.5Very low30.4Very low219 Ų219144.5 Ų144.586%0.85979%0.789SS**  trans-149.6154.9130.9-143.8-101.3000113.1
429T30Very low30.7Very low125 Ų125143 Ų14377%0.76778%0.781SS**  trans-125.5126.4179.249.40000110.3
430S26.2Very low30.7Very low112 Ų112143.6 Ų143.678%0.78378%0.78SS**  trans-162.4130.6171.555.20000114
431A26.9Very low30.9Very low93 Ų93142.7 Ų142.777%0.76978%0.783SS**  trans-109.8-175.8144.600000107
432P46.4Very low31.2Very low102 Ų102141.1 Ų141.166%0.66279%0.787SS**  cis-130.2-164-1125.5-0.7000112.2
433N28.4Very low31.5Very low135 Ų135140 Ų14072%0.72279%0.786SS**  trans129.1134.1132-74.9-32.9000121.5
434I27.5Very low31.7Very low147 Ų147143.4 Ų143.475%0.75480%0.796SS**  trans71.6118.5142.4-64161.9000121.3
435S33.3Very low31.9Very low122 Ų122141.9 Ų141.985%0.85379%0.792SS**  -148163.1125.663.10000109.5
436Q32.2Very low32.1Very low193 Ų193143.1 Ų143.190%0.90279%0.792SS**  trans-108.6152.1-163.2-65.2178.2-35.400114.5
437G28.1Very low32.4Very low82 Ų82137.5 Ų137.585%0.84579%0.786SS**  trans-163.491.817700000114.9
438K36.3Very low32.5Very low187 Ų187135.8 Ų135.881%0.81379%0.787SS**  trans-56.8158.6171.4-78.5-173.9175.1-172.40114.6
439D34.1Very low33.3Very low122 Ų122132.4 Ų132.465%0.65278%0.784SS**  cis-156.9172.65.6-91.9-31.4000111.1
440N34.5Very low33.9Very low147 Ų147134 Ų13479%0.78678%0.782SS**  trans69.5106.1159.8-62.5-21.4000119.7
441S35.2Very low34.4Very low107 Ų107133.3 Ų133.375%0.74878%0.778SS**  83.31388380.20000114.5
442V35.9Very low34.9Very low139 Ų139135.3 Ų135.384%0.84277%0.771SS**  cis-139.5161.618.9175.10000111.2
443L36.4Very low34.4Very low141 Ų141139.2 Ų139.274%0.73878%0.781SS**  trans-67.1151.6176.8-72.1150.6000115.5V445L443-V445 HydrophobicContact CD2-CG2 4.27Å
444L34.2Very low34.6Very low181 Ų181138.5 Ų138.595%0.94879%0.786SS**  trans-133.3148.5132.2-86.5-178.7000109.5
445V30.7Very low35.1Very low113 Ų113140 Ų14069%0.68579%0.79SS**  trans-119.8135.3-169.7171.20000110.1L443L443-V445 HydrophobicContact CD2-CG2 4.27Å
446L36.1Very low35Very low167 Ų167141.3 Ų141.387%0.87479%0.787SS**  trans-141.5142.5146.1-74.3-177.5000109.4
447S34.8Very low35.2Very low99 Ų99136.6 Ų136.669%0.69278%0.776SS**  trans-41142.1176.339.70000115.1
448S32.9Very low35.5Very low119 Ų119140.7 Ų140.783%0.83277%0.773SS**  58.813474.2-57.60000112.3
449D38.6Very low35.5Very low148 Ų148137 Ų13779%0.79176%0.762SS**  cis-142.916746.2-170.332.5000116
450E42.9Very low35.9Very low158 Ų158140.6 Ų140.674%0.73878%0.775SS**  trans-139.5113.2174-174.6-157.7131.200111.9
451S36.3Very low35.9Very low98 Ų98141.4 Ų141.469%0.68577%0.774SS**  trans-155.4135.1157.746.80000108.8
452Q38.7Very low35.9Very low135 Ų135144.4 Ų144.463%0.63178%0.782SS**  cis92.1106.139.4-66.6-71.60.600114
453Q35.1Very low35.8Very low184 Ų184143 Ų14386%0.8677%0.773SS**  trans38.7124151.4-61.8-177.4-21.100121.6
454S32.9Very low35.7Very low120 Ų120143 Ų14384%0.83977%0.773SS**  trans-146.9138.414463.60000111
455E38.5Very low35.4Very low179 Ų179140.4 Ų140.484%0.83677%0.769SS**  trans-92-164.2165.5-62.2-174.2124.600109.9
456N30.6Very low35.4Very low148 Ų148143.9 Ų143.979%0.79178%0.776SS**  trans77.4129-175.1-51.90.1000113.4
457S36.9Very low35.2Very low95 Ų95142.8 Ų142.866%0.66478%0.775SS**  cis88.9152.227.684.40000114.8
458E33.7Very low35Very low168 Ų168146 Ų14679%0.78578%0.779SS**  trans71.2154.5-177.6-52.1-167.8130.500113.6
459N37.3Very low34.8Very low110 Ų110148.1 Ų148.159%0.58878%0.781SS**  175.6147.6-51.953.926.8000104.6
460E42.3Very low34.4Very low197 Ų197146.4 Ų146.492%0.92178%0.781SS**  trans-161.4130.2158.938.5-162.7154.200108.3
461E34.8Very low33.7Very low164 Ų164142.6 Ų142.677%0.76678%0.784SS**  trans-134.8100.3-163.749-173.499.200110.3T463E461-T463 PolarHBondContact O-N 2.94Å
462D33.8Very low33.4Very low170 Ų170145.6 Ų145.691%0.90979%0.787SS**  trans-88.7106-165.3-160.812.9000111.3
463T34.4Very low33Very low108 Ų108148.2 Ų148.266%0.66379%0.792SS**  trans-148.6146.1-175.5-41.80000112.4E461E461-T463 PolarHBondContact O-N 2.94Å
464L33.6Very low32.5Very low141 Ų141146.8 Ų146.874%0.73879%0.785SS**  trans78.8145.8178.8-48.6-179.2000112.7
465C29Very low32.4Very low128 Ų128145.9 Ų145.987%0.86578%0.779SS**  cis-113.8148.231.9-65.30000117.1
466F29.9Very low31.9Very low186 Ų186144.9 Ų144.982%0.81678%0.778SS**  trans-91.1141.4152.3-92.9-102.2000109.6
467V32.7Very low31.9Very low143 Ų143143.3 Ų143.387%0.86778%0.779SS**  trans-136.2136140.7176.40000107.8
468E30.1Very low31.4Very low167 Ų167141.9 Ų141.978%0.7878%0.779SS**  trans-100.2148.7-176178.7177.8-161.100110.5
469N29.3Very low31.1Very low163 Ų163141.5 Ų141.587%0.87278%0.782SS**  trans-151.9146.5159-121.5-33.2000112
470S30.2Very low30.6Very low113 Ų113143 Ų14379%0.7980%0.796SS**  trans-111.7152.1-166.764.20000113
471G27Very low30.1Very low78 Ų78142.4 Ų142.480%0.80479%0.793SS**  trans-160.4151.517900000111.8
472Q29.5Very low29.8Very low160 Ų160140.3 Ų140.375%0.74880%0.797SS**  trans-120.6152.9-172.9-75.6-168.18.400113.1
473R30.7Very low29.8Very low191 Ų191140.2 Ų140.272%0.72180%0.795SS**  trans70.2117.7145.3-76.8167.8-161.7-99.58.7120.5
474E26.1Very low29.8Very low153 Ų153140.4 Ų140.472%0.71580%0.801SS**  62.1105.4108.5-163.4174.9-160.800119.2
475S29.6Very low29.8Very low102 Ų102139.5 Ų139.571%0.71381%0.805SS**  trans154129132.1-72.10000115.9
476L29.2Very low30.1Very low157 Ų157140.8 Ų140.882%0.82280%0.803SS**  trans63.7144.4139.5-61.8170.5000123.5
477S29.8Very low30.5Very low116 Ų116140.1 Ų140.181%0.81181%0.808SS**  trans34.1132.714857.70000120.3
478G26.3Very low30.8Very low65 Ų65137.4 Ų137.467%0.6780%0.801SS**  cis121.6126.142.100000110.2
479D26.9Very low31.6Very low159 Ų159136.7 Ų136.785%0.8580%0.801SS**  trans67.9149.5157.7-53.1-25.1000123.3
480T27.9Very low31.8Very low142 Ų142138.7 Ų138.787%0.87180%0.803SS**  trans93135.4156.3-11.70000120.1
481E31.3Very low32.3Very low185 Ų185139 Ų13986%0.86480%0.799SS**  trans-92151.1171.7-53.1157116.700110.8
482S28.3Very low32.8Very low120 Ų120142.5 Ų142.584%0.83980%0.798SS**  trans-168155.514256.50000111.5
483L34.8Very low33.1Very low167 Ų167142.1 Ų142.187%0.87480%0.801SS**  trans-94151.2171.5-63.284.3000110.6
484S33.8Very low33.8Very low112 Ų112139 Ų13978%0.78380%0.804SS**  trans-157.5115.4146.157.70000110.2
485C33.8Very low34.9Very low123 Ų123138.3 Ų138.383%0.83181%0.81SS**  trans-95143162.1-59.10000107.9
486D35.7Very low35.7Very low155 Ų155139.5 Ų139.583%0.82982%0.816SS**  trans-143.5108.5164.7-99.1-43.2000109.7
487N38.4Very low36.1Very low172 Ų172135.2 Ų135.292%0.9281%0.809SS**  trans-132.5130.5164.2-91.8-15.3000105.5
488A38.3Very low36.7Very low85 Ų85138.5 Ų138.570%0.70281%0.814SS**  trans-150.4155-17800000112
489L47.3Very low37.2Very low152 Ų152140.1 Ų140.180%0.79682%0.815SS**  trans70.2118.4-175.7-44.1174.3000111.6
490F33Very low37.7Very low206 Ų206136.5 Ų136.590%0.90481%0.807SS**  cis-116.5175.233.5-70-90.2000115.4
491V40.9Very low38.2Very low119 Ų119135.9 Ų135.972%0.72180%0.799SS**  trans-130.9136.5177.9174.80000108.5
492I37.9Very low38.7Very low151 Ų151135 Ų13577%0.77479%0.792SS**  trans-135124.3165.5-59.8-178.9000107.1T494I492-T494 HydrophobicContact CG2-CG2 4.36Å
493D35.3Very low39.2Very low152 Ų152136.9 Ų136.981%0.81379%0.792SS**  trans-80.1129.7176-83.9-50.6000111.2
494T45.8Very low39.3Very low126 Ų126138.3 Ų138.377%0.77379%0.792SS**  trans-136.672.6174.256.20000112.8I492I492-T494 HydrophobicContact CG2-CG2 4.36Å
495T49.2Very low39.1Very low138 Ų138141.6 Ų141.685%0.84779%0.789SS**  trans-147.8134.2152.430.50000111.1
496P45.8Very low39.3Very low128 Ų128143 Ų14383%0.83179%0.787SS**  trans-97.4124.1-175.834.8-32000114.1
497G38Very low39.3Very low67 Ų67142.9 Ų142.969%0.69178%0.781SS**  trans72.6119.613900000120.8
498M41.3Very low39Very low185 Ų185143 Ų14391%0.91178%0.776SS**  trans71.9144.9153-55.1167.959.600117.7
499S37.8Very low38.7Very low98 Ų98147.6 Ų147.669%0.68578%0.783SS**  cis-170142-21.852.80000111.6
500A38Very low38Very low84 Ų84147.9 Ų147.969%0.69479%0.786SS**  trans68.6129.6152.600000121.7
501D37.5Very low37.9Very low129 Ų129146.8 Ų146.869%0.6978%0.781SS**  trans51.1103.2134.8-58.5-0.3000120.9
502K41.8Very low37.3Very low167 Ų167145.2 Ų145.273%0.72678%0.78SS**  -177.8139.895.5-92.4151.8-144.984.20113.5F504K502-F504 HydrophobicContact CB-CD2 4.32Å; K502-F504 HydrophobicContact CD-CE2 4.4Å; K502-F504 HydrophobicContact CG-CE2 4.38Å
503N39.5Very low37.1Very low158 Ų158143.6 Ų143.685%0.84578%0.782SS**  trans-81.2133156.5-57.5-37.6000108.5
504F36.1Very low36.8Very low197 Ų197145.2 Ų145.286%0.86479%0.785SS**  trans-143.2159.1154.2-90.5-69.2000111K502K502-F504 HydrophobicContact CB-CD2 4.32Å; K502-F504 HydrophobicContact CD-CE2 4.4Å; K502-F504 HydrophobicContact CG-CE2 4.38Å
505Y30Very low36Very low182 Ų182146.4 Ų146.471%0.71479%0.791SS**  trans-138.4131.6-158.3179.6-77000107.6
506L37.1Very low35Very low151 Ų151143.9 Ų143.979%0.79179%0.785SS**  trans179166.1140.7-99.5171.2000112.2
507E35.5Very low34.2Very low153 Ų153145 Ų14572%0.71579%0.789SS**  trans-109-152.4-173.4-62.1166.196.400110.8
508E33.7Very low33.8Very low174 Ų174150.3 Ų150.381%0.81380%0.796SS**  trans77.493.9175.4-57.3178.2-174.700113.9
509E32.1Very low33.2Very low183 Ų183150.1 Ų150.186%0.85579%0.793SS**  75.3115.378.6-75.6-161.1159.400114
510D31Very low32.7Very low157 Ų157152.6 Ų152.684%0.8479%0.794SS**  -163.7-178.8110.2-140-30.5000112.1
511K32.5Very low32.2Very low184 Ų184155.5 Ų155.580%0.879%0.791SS**  trans-109.4157.4-166.7-45.6-170.4-173.7-166.30114
512A28.3Very low31.8Very low86 Ų86156.5 Ų156.571%0.71179%0.791SS**  160.4153114.700000113.7
513S32.6Very low31.1Very low116 Ų116156.8 Ų156.881%0.81180%0.795SS**  trans59159.6157.647.60000119
514E29Very low30.7Very low187 Ų187157.4 Ų157.487%0.87479%0.793SS**  cis-161.9140.8-31.6179.1166.9175.300106.1
515V29.2Very low30.4Very low150 Ų150156.1 Ų156.191%0.90979%0.79SS**  trans-106.5101.5-165.9-178.60000112.6
516A28.6Very low30.3Very low86 Ų86150.2 Ų150.271%0.71179%0.785SS**  trans-170.1120.2151.500000112
517T28.3Very low29.9Very low151 Ų151152.5 Ų152.593%0.92679%0.791SS**  -174.9176.9125.428.90000110.6
518E29.1Very low29.6Very low179 Ų179154.8 Ų154.884%0.83680%0.799SS**  trans-103.1149.4-159.2-62.1168.9147.300114.4
519E28.6Very low29.5Very low181 Ų181150.6 Ų150.685%0.84679%0.788SS**  trans60.9160.1146.4-69.1-171.1179.900123.6
520E28.8Very low29.3Very low149 Ų149150.3 Ų150.370%0.69679%0.787SS**  trans80.9128.8162.4-64.3-139.2125.100121.9
521K27.3Very low29.7Very low145 Ų145151.7 Ų151.763%0.6379%0.789SS**  trans72.2155.6145.3-72.1-171.9179.468.30119.8
522E28.8Very low29.7Very low150 Ų150150.3 Ų150.370%0.70179%0.79SS**  cis-160.2-168.3-28.6-122.2171.1-123.500107.6
523E27.7Very low29.9Very low173 Ų173151 Ų15181%0.80879%0.79SS**  trans72.1133.4169.7-52.7-178.317600115.4
524E31.2Very low30Very low171 Ų171150.1 Ų150.180%0.79978%0.783SS**  70.8122.258.3-134.6164.6-131.800110.6
525E29.3Very low30.1Very low170 Ų170147.6 Ų147.679%0.79478%0.776SS**  -164.4167.364-104.8-73.5-152.400113.5
526G26.8Very low30.2Very low59 Ų59148.1 Ų148.161%0.60877%0.768SS**  trans72.6156.1150.300000120.9
527E29.8Very low30.8Very low198 Ų198149.4 Ų149.493%0.92576%0.763SS**  cis-148.6-176.4-11.4-73.2-155118.400110.6
528K29.7Very low31.3Very low201 Ų201149.4 Ų149.487%0.87475%0.753SS**  trans-79.1-172.7171.3-56.1177.3178.2175.90110.5
529S30.1Very low31.6Very low86 Ų86148.1 Ų148.160%0.60175%0.751SS**  cis-160.6-162.92142.80000109.4
530E29.1Very low32.2Very low177 Ų177147.9 Ų147.983%0.82775%0.75SS**  cis-141.9-175.412.7-70.5-62165.500111.2
531E39.8Very low32.4Very low186 Ų186148.9 Ų148.987%0.86976%0.761SS**  trans-146.4145.8179.5176.7173.4-132.600111.1
532D31.1Very low33.2Very low156 Ų156150.3 Ų150.383%0.83477%0.769SS**  trans-175.5151.6165.5-130.210.8000109.6
533S33.6Very low33.1Very low100 Ų100148.8 Ų148.870%0.69977%0.774SS**  cis-156.7-167.1-5.148.40000107.7
534S34Very low33.3Very low97 Ų97144.3 Ų144.368%0.67876%0.762SS**  cis-164.9-176.511-160.20000111.6
535D32Very low33.8Very low134 Ų134143.9 Ų143.972%0.71777%0.765SS**  trans79.9102.7150.6-74.525.8000122.6
536H31.6Very low34.5Very low161 Ų161142.8 Ų142.875%0.74576%0.76SS**  trans62.9138.8135.3-84.7-20.4000121.6
537D40Very low35.6Very low114 Ų114146.8 Ų146.861%0.6176%0.763SS**  cis-160.1166.7-8.1-140.313.7000115.1
538E39.4Very low36.6Very low151 Ų151144.7 Ų144.771%0.70676%0.758SS**  trans31121.1163-60-172.7165.200120.7
539N35.5Very low37.5Very low151 Ų151141.8 Ų141.881%0.80775%0.751SS**  -170.5149.187.7-100.6-93.6000110.8
540E40.7Very low38.3Very low176 Ų176141.7 Ų141.782%0.82274%0.744SS**  trans-97.8156.8-170.5-58.8177.516100113.3
541D34Very low39.2Very low171 Ų171139.8 Ų139.891%0.91474%0.739SS**  -167.5130.3124.2-107.5-29.1000109.3
542E42.3Very low39.5Very low174 Ų174135.1 Ų135.181%0.81373%0.727SS**  trans-104.7179.8-168.6-71.5-161.412500114.9
543C27.8Very low40.3Very low119 Ų119131 Ų13180%0.80471%0.707SS**  trans77.1149.8155-72.60000118.3
544S31.6Very low41.1Very low78 Ų78131.3 Ų131.355%0.54570%0.696SS.*  cis-163.8153.3-19.6175.40000108.6E546S544-E546 WeakPolarHBondContact CB-OE2 3.34Å; S544-E546 PolarHBondContact OG-OE2 3.04Å
545D41Very low42Very low162 Ų162130.3 Ų130.387%0.86669%0.694SS**  trans-95102176.3-88.3-35.4000111.6
546E44.5Very low42.9Very low148 Ų148132 Ų13269%0.69270%0.695SS**  trans-121.355.7171.738.9-101.9-152.900113S544 D548S544-E546 WeakPolarHBondContact CB-OE2 3.34Å; S544-E546 PolarHBondContact OG-OE2 3.04Å; E546-D548 VanDerWaalsContact C-N 3.27Å; E546-D548 PolarHBondContact O-N 2.91Å
547E49.6Very low43.6Very low143 Ų143129.6 Ų129.667%0.66869%0.687SS**  trans-70.768.5171.6-94.7-78.2-160.800113
548D51.2Low43.9Very low154 Ų154129.8 Ų129.882%0.82469%0.687SS**SBendtrans-139.711175.5-136.7-9000115.8E546E546-D548 VanDerWaalsContact C-N 3.27Å; E546-D548 PolarHBondContact O-N 2.91Å
549L48.2Very low44.4Very low139 Ų139130.9 Ų130.973%0.72869%0.69SS**SBendtrans-120.3-9.2-179.6-71.2175.9000115.7N551 S552L549-N551 PolarHBondContact O-N 2.93Å; L549-S552 PolarHBondContact O-OG 3.14Å
550L47.9Very low45Very low85 Ų85131.1 Ų131.145%0.44569%0.69SS.*THydrogen-bonded Turntrans-81.4-4.8-167.3-65.2-174.7000116.3T553 K554L550-T553 PolarHBondContact O-OG1 3.17Å; L550-K554 WeakPolarHBondContact O-CD 3.38Å; L550-K554 WeakPolarHBondContact O-CE 3.38Å; L550-K554 VanDerWaalsContact O-CG 3.29Å; L550-K554 WeakPolarHBondContact O-CG 3.3Å
551N46.5Very low45.3Very low136 Ų136126.7 Ų126.773%0.72768%0.676SS**THydrogen-bonded Turntrans-87.8-19.1-179.3-70.4-30.1000114.3L549 K554L549-N551 PolarHBondContact O-N 2.93Å; N551-K554 PolarHBondContact OD1-NZ 3Å
552S46.9Very low46.1Very low88 Ų88122.9 Ų122.962%0.61566%0.662SS**THydrogen-bonded Turntrans-83.1-24.6177.3710000113.8L549L549-S552 PolarHBondContact O-OG 3.14Å
553T49Very low46.4Very low70 Ų70119 Ų11943%0.42965%0.654SS.*THydrogen-bonded Turntrans-91.1-33.3-172.752.70000113.3L550 A555 K556 L557L550-T553 PolarHBondContact O-OG1 3.17Å; T553-A555 PolarHBondContact O-N 2.84Å; T553-K556 PolarHBondContact O-N 2.93Å; T553-L557 PolarHBondContact O-N 3.09Å
554K49.5Very low47.7Very low106 Ų106119 Ų11946%0.46166%0.655SS.*Hα-helixtrans-49.9-42.5177.6-72.7163.8-169.1163.40112.3L550 N551 K556 L557 L558L550-K554 WeakPolarHBondContact O-CD 3.38Å; L550-K554 WeakPolarHBondContact O-CE 3.38Å; L550-K554 VanDerWaalsContact O-CG 3.29Å; L550-K554 WeakPolarHBondContact O-CG 3.3Å; N551-K554 PolarHBondContact OD1-NZ 3Å; K554-K556 VanDerWaalsContact C-N 3.3Å; K554-K556 PolarHBondContact O-N 2.8Å; K554-L557 PolarHBondContact O-N 3.43Å; K554-L558 WeakPolarHBondContact O-CG 3.46Å; K554-L558 PolarHBondContact O-N 3.45Å; K554-L558 VanDerWaalsContact O-N 3.13Å
555A51.8Low49.1Very low77 Ų77122.2 Ų122.264%0.63667%0.665SS**Hα-helixtrans-67.7-20.8178.600000115T553T553-A555 PolarHBondContact O-N 2.84Å
556K51Low49.7Very low168 Ų168120.6 Ų120.673%0.7366%0.657SS**Hα-helixtrans-94.2-35.4174.3-74.5178.4177.4172.50112.2T553 K554 K559T553-K556 PolarHBondContact O-N 2.93Å; K554-K556 VanDerWaalsContact C-N 3.3Å; K554-K556 PolarHBondContact O-N 2.8Å; K556-K559 WeakPolarHBondContact O-CB 3.33Å; K556-K559 PolarHBondContact O-N 2.82Å
557L47.2Very low50.4Low111 Ų111118 Ų11858%0.58165%0.652SS**Hα-helixtrans-68.1-41.7179.6-158.9155.9000111.7T553 K554 K559 L560 T561T553-L557 PolarHBondContact O-N 3.09Å; K554-L557 PolarHBondContact O-N 3.43Å; L557-K559 PolarHBondContact O-N 3.23Å; L557-L560 PolarHBondContact O-N 3.02Å; L557-T561 HydrophobicContact CD2-CG2 3.76Å; L557-T561 PolarHBondContact O-N 3.37Å; L557-T561 VanDerWaalsContact O-N 3.1Å; L557-T561 PolarHBondContact O-OG1 3.1Å
558L46.2Very low50.7Low118 Ų118114.3 Ų114.362%0.61865%0.653SS**THydrogen-bonded Turntrans-54.2-25.8172.9-75.4168.8000113.7K554 S562K554-L558 WeakPolarHBondContact O-CG 3.46Å; K554-L558 PolarHBondContact O-N 3.45Å; K554-L558 VanDerWaalsContact O-N 3.13Å; L558-S562 PolarHBondContact O-OG 2.92Å
559K49.3Very low51.1Low174 Ų174112.1 Ų112.176%0.75764%0.641SS**THydrogen-bonded Turntrans-85-9.9179.9-151.3168.7-174.3174.80113.8K556 L557K556-K559 WeakPolarHBondContact O-CB 3.33Å; K556-K559 PolarHBondContact O-N 2.82Å; L557-K559 PolarHBondContact O-N 3.23Å
560L49.5Very low51.4Low156 Ų156107.9 Ų107.982%0.81762%0.623SS**THydrogen-bonded Turntrans-107.8-19.4173.7-65.7177.4000112.9L557 S562L557-L560 PolarHBondContact O-N 3.02Å; L560-S562 VanDerWaalsContact C-N 3.27Å
561T46.8Very low51.7Low84 Ų84110.2 Ų110.252%0.51563%0.634SS.*SBendtrans-87.69.9167.156.10000113.4L557 S563L557-T561 HydrophobicContact CD2-CG2 3.76Å; L557-T561 PolarHBondContact O-N 3.37Å; L557-T561 VanDerWaalsContact O-N 3.1Å; L557-T561 PolarHBondContact O-OG1 3.1Å; T561-S563 PolarHBondContact O-N 3.15Å
562S49.6Very low52.2Low90 Ų90113.4 Ų113.463%0.62964%0.642SS**  trans-7537.5175.2-68.20000113.1L558 L560 S564L558-S562 PolarHBondContact O-OG 2.92Å; L560-S562 VanDerWaalsContact C-N 3.27Å; S562-S564 PolarHBondContact O-N 3.36Å
563S50.2Low52.6Low93 Ų93117.2 Ų117.265%0.6565%0.65SS**  trans-74.489.4170.854.60000109.2T561 I565T561-S563 PolarHBondContact O-N 3.15Å; S563-I565 PolarHBondContact O-N 3.22Å
564S54Low53.1Low118 Ų118119 Ų11983%0.82566%0.656SS**  trans-59.597.8170.31750000109.8S562 D566S562-S564 PolarHBondContact O-N 3.36Å; S564-D566 PolarHBondContact O-N 2.93Å
565I60.6Low53.3Low147 Ų147117.6 Ų117.675%0.75467%0.672SS**  trans-67.5103.5169-63.1171.6000107S563 P567S563-I565 PolarHBondContact O-N 3.22Å; I565-P567 WeakPolarHBondContact O-CD 3.41Å
566D54.2Low53.3Low128 Ų128116.6 Ų116.668%0.68467%0.669SS**  trans-61.6118.1160.9179.7-4.1000107.2S564 G568S564-D566 PolarHBondContact O-N 2.93Å; D566-G568 PolarHBondContact O-N 3.46Å; D566-G568 VanDerWaalsContact O-N 3.11Å; D566-G568 PolarHBondContact OD1-N 3.13Å
567P59.9Low53.1Low93 Ų93115.5 Ų115.560%0.60467%0.67SS**  trans-69.4-3179.930-35.9000113I565 L569I565-P567 WeakPolarHBondContact O-CD 3.41Å; P567-L569 PolarHBondContact O-N 3.42Å
568G55.3Low53.1Low66 Ų66119.4 Ų119.468%0.6868%0.679SS**SBendtrans68.6-0.6179.600000114.2D566D566-G568 PolarHBondContact O-N 3.46Å; D566-G568 VanDerWaalsContact O-N 3.11Å; D566-G568 PolarHBondContact OD1-N 3.13Å
569L58.7Low53.7Low108 Ų108118.8 Ų118.857%0.56568%0.675SS**  trans-105100.4-175.2-71.2173.1000109.3P567 I571 L574P567-L569 PolarHBondContact O-N 3.42Å; L569-I571 PolarHBondContact O-N 2.98Å; L569-I571 VanDerWaalsContact O-N 3.15Å; L569-L574 HydrophobicContact CB-CD1 3.99Å; L569-L574 HydrophobicContact CD1-CD1 4.19Å; L569-L574 HydrophobicContact CD2-CD1 4.21Å; L569-L574 HydrophobicContact CG-CD1 4.37Å
570S55.3Low54Low50 Ų50114.5 Ų114.535%0.3566%0.66SS.*  trans-67.6118.5178.290.90000110.3K572 Q573 L574S570-K572 PolarHBondContact O-N 3.32Å; S570-Q573 PolarHBondContact O-N 2.91Å; S570-Q573 WeakPolarHBondContact OG-CB 3.21Å; S570-Q573 VanDerWaalsContact OG-CD 3.26Å; S570-Q573 VanDerWaalsContact OG-CG 3.31Å; S570-Q573 WeakPolarHBondContact OG-CG 3.42Å; S570-Q573 PolarHBondContact OG-N 3.18Å; S570-Q573 PolarHBondContact OG-OE1 3.46Å; S570-L574 PolarHBondContact O-N 3.47Å
571I54.5Low54.1Low133 Ų133115.8 Ų115.868%0.68266%0.66SS**THydrogen-bonded Turntrans-62.7-4.4175.5-72.9169.8000112.3L569 L574L569-I571 PolarHBondContact O-N 2.98Å; L569-I571 VanDerWaalsContact O-N 3.15Å; I571-L574 VanDerWaalsContact O-O 3.13Å
572K56.5Low54.3Low204 Ų204116.8 Ų116.889%0.88766%0.662SS**THydrogen-bonded Turntrans-91.4-16.5172-62.1-180-179.3177.20113.4S570S570-K572 PolarHBondContact O-N 3.32Å
573Q55.3Low54.6Low168 Ų168115.9 Ų115.979%0.78566%0.66SS**THydrogen-bonded Turntrans-104.9-36.5174.4-72.1166-38.700111.9S570 G575S570-Q573 PolarHBondContact O-N 2.91Å; S570-Q573 WeakPolarHBondContact OG-CB 3.21Å; S570-Q573 VanDerWaalsContact OG-CD 3.26Å; S570-Q573 VanDerWaalsContact OG-CG 3.31Å; S570-Q573 WeakPolarHBondContact OG-CG 3.42Å; S570-Q573 PolarHBondContact OG-N 3.18Å; S570-Q573 PolarHBondContact OG-OE1 3.46Å; Q573-G575 VanDerWaalsContact C-N 3.3Å; Q573-G575 PolarHBondContact O-N 3.47Å
574L59Low54.9Low106 Ų106118.4 Ų118.456%0.55567%0.666SS**THydrogen-bonded Turntrans-73.288.7160.6-76.4174.2000108.4L569 S570 I571 G576L569-L574 HydrophobicContact CB-CD1 3.99Å; L569-L574 HydrophobicContact CD1-CD1 4.19Å; L569-L574 HydrophobicContact CD2-CD1 4.21Å; L569-L574 HydrophobicContact CG-CD1 4.37Å; S570-L574 PolarHBondContact O-N 3.47Å; I571-L574 VanDerWaalsContact O-O 3.13Å; L574-G576 PolarHBondContact O-N 2.94Å
575G54.8Low54.9Low78 Ų78121.6 Ų121.680%0.80467%0.665SS**THydrogen-bonded Turntrans-59.391.5-165.700000115.5Q573Q573-G575 VanDerWaalsContact C-N 3.3Å; Q573-G575 PolarHBondContact O-N 3.47Å
576G51.8Low54.5Low56 Ų56120.9 Ų120.958%0.57766%0.662SS**  trans78.9112.3164.400000115.1L574 Y578L574-G576 PolarHBondContact O-N 2.94Å; G576-Y578 PolarHBondContact O-N 3.04Å
577L46.5Very low54.5Low144 Ų144120.7 Ų120.775%0.75466%0.657SS**  trans-64.997.5164.8-179.467.7000109.4I579L577-I579 HydrophobicContact CD2-CD1 3.99Å; L577-I579 HydrophobicContact CD2-CG1 4.49Å; L577-I579 HydrophobicContact CG-CD1 4.18Å; L577-I579 HydrophobicContact CG-CG1 4.15Å; L577-I579 PolarHBondContact O-N 3.38Å
578Y47.7Very low54.2Low194 Ų194121 Ų12176%0.76166%0.661SS**  trans-76.364.8-174.5-171.1-102.5000112.9G576 N580G576-Y578 PolarHBondContact O-N 3.04Å; Y578-N580 HydrophobicContact CD1-CB 4.39Å; Y578-N580 HydrophobicContact CD2-CB 4.24Å; Y578-N580 HydrophobicContact CE1-CB 4.01Å; Y578-N580 HydrophobicContact CE2-CB 3.82Å; Y578-N580 VanDerWaalsContact CE2-ND2 3.3Å; Y578-N580 WeakPolarHBondContact CE2-ND2 3.31Å; Y578-N580 VanDerWaalsContact CZ-ND2 3.27Å; Y578-N580 PolarHBondContact O-N 3.07Å; Y578-N580 PolarHBondContact OH-ND2 3.42Å
579I57.6Low54.2Low105 Ų105122.9 Ų122.954%0.53866%0.656SS.*  trans-92.784161.8-57.3175000107L577 F581L577-I579 HydrophobicContact CD2-CD1 3.99Å; L577-I579 HydrophobicContact CD2-CG1 4.49Å; L577-I579 HydrophobicContact CG-CD1 4.18Å; L577-I579 HydrophobicContact CG-CG1 4.15Å; L577-I579 PolarHBondContact O-N 3.38Å; I579-F581 HydrophobicContact CB-CE2 4.23Å; I579-F581 HydrophobicContact CG2-CD2 3.87Å; I579-F581 HydrophobicContact CG2-CE1 4.44Å; I579-F581 HydrophobicContact CG2-CE2 3.4Å; I579-F581 HydrophobicContact CG2-CZ 3.73Å; I579-F581 WeakPolarHBondContact O-CD2 3.26Å; I579-F581 PolarHBondContact O-N 2.64Å; I579-F581 VanDerWaalsContact O-N 3.09Å
580N56Low54.2Low84 Ų84122.9 Ų122.945%0.44965%0.651SS.*  trans-81.791.4-171.4-153.64000110.6Y578 N582Y578-N580 HydrophobicContact CD1-CB 4.39Å; Y578-N580 HydrophobicContact CD2-CB 4.24Å; Y578-N580 HydrophobicContact CE1-CB 4.01Å; Y578-N580 HydrophobicContact CE2-CB 3.82Å; Y578-N580 VanDerWaalsContact CE2-ND2 3.3Å; Y578-N580 WeakPolarHBondContact CE2-ND2 3.31Å; Y578-N580 VanDerWaalsContact CZ-ND2 3.27Å; Y578-N580 PolarHBondContact O-N 3.07Å; Y578-N580 PolarHBondContact OH-ND2 3.42Å; N580-N582 PolarHBondContact ND2-ND2 3.45Å; N580-N582 VanDerWaalsContact ND2-ND2 3.17Å; N580-N582 PolarHBondContact O-N 3.31Å; N580-N582 PolarHBondContact OD1-ND2 3.42Å; N580-N582 VanDerWaalsContact OD1-ND2 3.14Å
581F52.5Low54.5Low183 Ų183130.4 Ų130.480%0.80367%0.672SS**  trans-70.151.5-178-77.5-80000114.3I579 A583I579-F581 HydrophobicContact CB-CE2 4.23Å; I579-F581 HydrophobicContact CG2-CD2 3.87Å; I579-F581 HydrophobicContact CG2-CE1 4.44Å; I579-F581 HydrophobicContact CG2-CE2 3.4Å; I579-F581 HydrophobicContact CG2-CZ 3.73Å; I579-F581 WeakPolarHBondContact O-CD2 3.26Å; I579-F581 PolarHBondContact O-N 2.64Å; I579-F581 VanDerWaalsContact O-N 3.09Å; F581-A583 VanDerWaalsContact C-N 3.27Å; F581-A583 PolarHBondContact O-N 3.08Å
582N50.5Low54.9Low104 Ų104127.3 Ų127.356%0.55666%0.659SS**  trans-76.474.4171.4-75.9-59.7000111N580 D584N580-N582 PolarHBondContact ND2-ND2 3.45Å; N580-N582 VanDerWaalsContact ND2-ND2 3.17Å; N580-N582 PolarHBondContact O-N 3.31Å; N580-N582 PolarHBondContact OD1-ND2 3.42Å; N580-N582 VanDerWaalsContact OD1-ND2 3.14Å; N582-D584 PolarHBondContact O-N 3.35Å
583A56.9Low55.2Low71 Ų71121.5 Ų121.559%0.58764%0.638SS**G310 helixtrans-56.5-32.5178.400000113F581 K585F581-A583 VanDerWaalsContact C-N 3.27Å; F581-A583 PolarHBondContact O-N 3.08Å; A583-K585 PolarHBondContact O-N 2.88Å
584D55.7Low55.7Low146 Ų146116.7 Ų116.778%0.78162%0.62SS**G310 helixtrans-86.5-0.1-163.1-54.1-47.1000115.4N582N582-D584 PolarHBondContact O-N 3.35Å
585K54.7Low56.2Low186 Ų186116.5 Ų116.581%0.80962%0.616SS**G310 helixtrans-112.72.3175.2-70.8-168176.2-177.60115.2A583A583-K585 PolarHBondContact O-N 2.88Å
586L51.7Low56.8Low131 Ų131117 Ų11769%0.68660%0.599SS**  trans-100.123.1-179.9-147.791.5000114.7
587Q53Low57.8Low125 Ų125120.1 Ų120.158%0.58460%0.597SS**SBendtrans-79.4-35-179.8-68-74.34.600113.5
588S54.1Low59.1Low99 Ų99117.8 Ų117.869%0.69258%0.582SS**THydrogen-bonded Turntrans-72.8-37-166.450.90000115.2K590S588-K590 PolarHBondContact O-N 3.28Å
589N54.9Low60.3Low106 Ų106115.5 Ų115.557%0.56758%0.576SS**THydrogen-bonded Turntrans-92.314.6-173.7-76.9-48.9000114.7T592 L593N589-T592 PolarHBondContact O-OG1 2.99Å; N589-T592 VanDerWaalsContact O-OG1 3.07Å; N589-T592 PolarHBondContact OD1-OG1 3.04Å; N589-L593 VanDerWaalsContact O-CB 3.26Å; N589-L593 WeakPolarHBondContact O-CB 3.29Å; N589-L593 PolarHBondContact O-N 3.16Å
590K59.7Low61.3Low108 Ų108116.5 Ų116.547%0.4758%0.577SS.*Hα-helixtrans-62.4-46-178.6-71.6178.1174.5178.20112.3S588 L593 T594S588-K590 PolarHBondContact O-N 3.28Å; K590-L593 PolarHBondContact O-N 2.84Å; K590-T594 WeakPolarHBondContact O-CG2 3.46Å; K590-T594 PolarHBondContact O-N 3.01Å; K590-T594 PolarHBondContact O-OG1 3.39Å
591R62.3Low62.4Low207 Ų207119.1 Ų119.178%0.78158%0.584SS**Hα-helixtrans-67.3-39.9-178-67.4178.8179.3156.7-0.9113.4T594 Q595R591-T594 PolarHBondContact O-OG1 3.3Å; R591-T594 VanDerWaalsContact O-OG1 3.08Å; R591-Q595 WeakPolarHBondContact O-CB 3.44Å; R591-Q595 VanDerWaalsContact O-CG 3.31Å; R591-Q595 WeakPolarHBondContact O-CG 3.36Å; R591-Q595 PolarHBondContact O-N 2.92Å
592T61.7Low63.6Low68 Ų68114.9 Ų114.942%0.41757%0.57SS.*Hα-helixtrans-68.7-40.5175.744.60000110.7N589 Q595 I596N589-T592 PolarHBondContact O-OG1 2.99Å; N589-T592 VanDerWaalsContact O-OG1 3.07Å; N589-T592 PolarHBondContact OD1-OG1 3.04Å; T592-Q595 PolarHBondContact O-N 2.75Å; T592-I596 WeakPolarHBondContact O-CB 3.41Å; T592-I596 WeakPolarHBondContact O-CD1 3.21Å; T592-I596 WeakPolarHBondContact O-CG1 3.12Å; T592-I596 PolarHBondContact O-N 3Å
593L62.3Low65.1Low83 Ų83115 Ų11544%0.43557%0.567SS.*Hα-helixtrans-68.2-35.7176-173.960.8000113.3N589 K590 K597N589-L593 VanDerWaalsContact O-CB 3.26Å; N589-L593 WeakPolarHBondContact O-CB 3.29Å; N589-L593 PolarHBondContact O-N 3.16Å; K590-L593 PolarHBondContact O-N 2.84Å; L593-K597 HydrophobicContact CG-CD 4.31Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 VanDerWaalsContact O-CG 3.25Å; L593-K597 WeakPolarHBondContact O-CG 3.43Å; L593-K597 PolarHBondContact O-N 3.49Å
594T66.2Low66.1Low66 Ų66117.5 Ų117.541%0.40557%0.57SS.*Hα-helixtrans-67.9-46.6172.656.70000111.2K590 R591 I596 K597 E598K590-T594 WeakPolarHBondContact O-CG2 3.46Å; K590-T594 PolarHBondContact O-N 3.01Å; K590-T594 PolarHBondContact O-OG1 3.39Å; R591-T594 PolarHBondContact O-OG1 3.3Å; R591-T594 VanDerWaalsContact O-OG1 3.08Å; T594-I596 VanDerWaalsContact C-N 3.29Å; T594-I596 PolarHBondContact O-N 2.98Å; T594-K597 CarbonylContact O-C 3.5Å; T594-K597 WeakPolarHBondContact O-CA 3.25Å; T594-K597 WeakPolarHBondContact O-CB 3.4Å; T594-K597 PolarHBondContact O-N 3.23Å; T594-E598 WeakPolarHBondContact O-CB 3.22Å; T594-E598 VanDerWaalsContact O-CD 3.32Å; T594-E598 WeakPolarHBondContact O-CG 3.31Å; T594-E598 PolarHBondContact O-N 3.47Å
595Q69.1Low67.3Low102 Ų102115.6 Ų115.648%0.47756%0.559SS.*Hα-helixtrans-59-37.6175.6-73.9177.73.500113R591 T592 K599R591-Q595 WeakPolarHBondContact O-CB 3.44Å; R591-Q595 VanDerWaalsContact O-CG 3.31Å; R591-Q595 WeakPolarHBondContact O-CG 3.36Å; R591-Q595 PolarHBondContact O-N 2.92Å; T592-Q595 PolarHBondContact O-N 2.75Å; Q595-K599 WeakPolarHBondContact O-CB 3.26Å; Q595-K599 VanDerWaalsContact O-CG 3.26Å; Q595-K599 WeakPolarHBondContact O-CG 3.31Å; Q595-K599 PolarHBondContact O-N 2.92Å
596I69.1Low68.3Low89 Ų89114.5 Ų114.546%0.45656%0.557SS.*Hα-helixtrans-68.1-39.5174.1-70.4164000110.9T592 T594 K600T592-I596 WeakPolarHBondContact O-CB 3.41Å; T592-I596 WeakPolarHBondContact O-CD1 3.21Å; T592-I596 WeakPolarHBondContact O-CG1 3.12Å; T592-I596 PolarHBondContact O-N 3Å; T594-I596 VanDerWaalsContact C-N 3.29Å; T594-I596 PolarHBondContact O-N 2.98Å; I596-K600 HydrophobicContact CG2-CD 4.38Å; I596-K600 WeakPolarHBondContact O-CB 3.44Å; I596-K600 VanDerWaalsContact O-CG 3.31Å; I596-K600 WeakPolarHBondContact O-CG 3.24Å; I596-K600 PolarHBondContact O-N 2.8Å
597K72.5Confident69.6Low122 Ų122116.1 Ų116.153%0.5356%0.558SS.*Hα-helixtrans-68.5-36.4175.1-75.5173.5177.2-176.10112.5L593 T594 K601L593-K597 HydrophobicContact CG-CD 4.31Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 VanDerWaalsContact O-CG 3.25Å; L593-K597 WeakPolarHBondContact O-CG 3.43Å; L593-K597 PolarHBondContact O-N 3.49Å; T594-K597 CarbonylContact O-C 3.5Å; T594-K597 WeakPolarHBondContact O-CA 3.25Å; T594-K597 WeakPolarHBondContact O-CB 3.4Å; T594-K597 PolarHBondContact O-N 3.23Å; K597-K601 WeakPolarHBondContact O-CB 3.45Å; K597-K601 VanDerWaalsContact O-CG 3.31Å; K597-K601 WeakPolarHBondContact O-CG 3.34Å; K597-K601 PolarHBondContact O-N 2.91Å
598E73.1Confident71Confident95 Ų95112 Ų11244%0.44455%0.546SS..Hα-helixtrans-68.8-47.1175.8-74.4149.4-16100111T594 K600 K601 N602T594-E598 WeakPolarHBondContact O-CB 3.22Å; T594-E598 VanDerWaalsContact O-CD 3.32Å; T594-E598 WeakPolarHBondContact O-CG 3.31Å; T594-E598 PolarHBondContact O-N 3.47Å; E598-K600 VanDerWaalsContact C-N 3.32Å; E598-K600 PolarHBondContact O-N 3.34Å; E598-K601 WeakPolarHBondContact O-CB 3.39Å; E598-K601 PolarHBondContact O-N 2.95Å; E598-K601 VanDerWaalsContact O-N 3.16Å; E598-N602 VanDerWaalsContact O-CG 3.22Å; E598-N602 PolarHBondContact O-N 3.42Å; E598-N602 PolarHBondContact O-OD1 2.95Å
599K73.6Confident71.9Confident146 Ų146112.6 Ų112.664%0.63555%0.545SS*.Hα-helixtrans-57.2-44.7172.6-74173.2180-177.90111.6Q595 N602 E603Q595-K599 WeakPolarHBondContact O-CB 3.26Å; Q595-K599 VanDerWaalsContact O-CG 3.26Å; Q595-K599 WeakPolarHBondContact O-CG 3.31Å; Q595-K599 PolarHBondContact O-N 2.92Å; K599-N602 PolarHBondContact O-N 3.5Å; K599-E603 WeakPolarHBondContact O-CB 3.41Å; K599-E603 PolarHBondContact O-N 2.88Å
600K77.8Confident73.1Confident126 Ų126113.7 Ų113.755%0.54855%0.549SS..Hα-helixtrans-66-37174.8-75-176.6175.5-165.70113.6I596 E598 E603 L604I596-K600 HydrophobicContact CG2-CD 4.38Å; I596-K600 WeakPolarHBondContact O-CB 3.44Å; I596-K600 VanDerWaalsContact O-CG 3.31Å; I596-K600 WeakPolarHBondContact O-CG 3.24Å; I596-K600 PolarHBondContact O-N 2.8Å; E598-K600 VanDerWaalsContact C-N 3.32Å; E598-K600 PolarHBondContact O-N 3.34Å; K600-E603 PolarHBondContact O-N 3.08Å; K600-L604 WeakPolarHBondContact O-CB 3.46Å; K600-L604 VanDerWaalsContact O-CG 3.24Å; K600-L604 WeakPolarHBondContact O-CG 3.31Å; K600-L604 PolarHBondContact O-N 3.34Å
601K79.8Confident74.2Confident138 Ų138111.6 Ų111.660%0.655%0.546SS*.Hα-helixtrans-60.8-46.2171.7-81.5176.6174-169.80110.7K597 E598 E603 L604 L605K597-K601 WeakPolarHBondContact O-CB 3.45Å; K597-K601 VanDerWaalsContact O-CG 3.31Å; K597-K601 WeakPolarHBondContact O-CG 3.34Å; K597-K601 PolarHBondContact O-N 2.91Å; E598-K601 WeakPolarHBondContact O-CB 3.39Å; E598-K601 PolarHBondContact O-N 2.95Å; E598-K601 VanDerWaalsContact O-N 3.16Å; K601-E603 PolarHBondContact O-N 3.14Å; K601-L604 PolarHBondContact O-N 2.82Å; K601-L605 WeakPolarHBondContact O-CB 3.48Å; K601-L605 VanDerWaalsContact O-CG 3.27Å; K601-L605 WeakPolarHBondContact O-CG 3.13Å; K601-L605 PolarHBondContact O-N 3.25Å
602N77.1Confident75.2Confident94 Ų94107.1 Ų107.150%0.50354%0.543SS..Hα-helixtrans-65.9-39.3180-63.1-4.4000111.5E598 K599 L604 L605 Q606E598-N602 VanDerWaalsContact O-CG 3.22Å; E598-N602 PolarHBondContact O-N 3.42Å; E598-N602 PolarHBondContact O-OD1 2.95Å; K599-N602 PolarHBondContact O-N 3.5Å; N602-L604 VanDerWaalsContact C-N 3.34Å; N602-L604 PolarHBondContact O-N 2.89Å; N602-L605 PolarHBondContact O-N 2.92Å; N602-Q606 VanDerWaalsContact O-CG 3.31Å; N602-Q606 WeakPolarHBondContact O-CG 3.46Å; N602-Q606 PolarHBondContact O-N 2.59Å
603E82.4Confident76.1Confident106 Ų106108 Ų10850%0.49555%0.545SS..Hα-helixtrans-63.7-34.6173.4-169.7-169159.800113K599 K600 K601K599-E603 WeakPolarHBondContact O-CB 3.41Å; K599-E603 PolarHBondContact O-N 2.88Å; K600-E603 PolarHBondContact O-N 3.08Å; K601-E603 PolarHBondContact O-N 3.14Å
604L77.9Confident77Confident124 Ų124106.3 Ų106.365%0.64954%0.535SS*.Hα-helixtrans-73.7-41.8173.2-71.4167000111.8K600 K601 N602 Q606 K607K600-L604 WeakPolarHBondContact O-CB 3.46Å; K600-L604 VanDerWaalsContact O-CG 3.24Å; K600-L604 WeakPolarHBondContact O-CG 3.31Å; K600-L604 PolarHBondContact O-N 3.34Å; K601-L604 PolarHBondContact O-N 2.82Å; N602-L604 VanDerWaalsContact C-N 3.34Å; N602-L604 PolarHBondContact O-N 2.89Å; L604-Q606 VanDerWaalsContact C-N 3.3Å; L604-Q606 PolarHBondContact O-N 3.3Å; L604-K607 PolarHBondContact O-N 2.89Å
605L79.9Confident77.8Confident107 Ų107111.8 Ų111.856%0.5656%0.556SS**Hα-helixtrans-66.3-30177-71.2168.3000112.5K601 N602 K607 A608K601-L605 WeakPolarHBondContact O-CB 3.48Å; K601-L605 VanDerWaalsContact O-CG 3.27Å; K601-L605 WeakPolarHBondContact O-CG 3.13Å; K601-L605 PolarHBondContact O-N 3.25Å; N602-L605 PolarHBondContact O-N 2.92Å; L605-K607 PolarHBondContact O-N 2.91Å; L605-K607 VanDerWaalsContact O-N 3.1Å; L605-A608 WeakPolarHBondContact O-CB 3.31Å; L605-A608 PolarHBondContact O-N 3.44Å
606Q77.2Confident78.6Confident162 Ų162114.5 Ų114.576%0.75757%0.566SS**THydrogen-bonded Turntrans-61.2-13.5170.1-80173.70.600114.2N602 L604N602-Q606 VanDerWaalsContact O-CG 3.31Å; N602-Q606 WeakPolarHBondContact O-CG 3.46Å; N602-Q606 PolarHBondContact O-N 2.59Å; L604-Q606 VanDerWaalsContact C-N 3.3Å; L604-Q606 PolarHBondContact O-N 3.3Å
607K78.1Confident79.2Confident165 Ų165114.4 Ų114.472%0.71757%0.567SS**THydrogen-bonded Turntrans-109.22.5175.5-63.6174-177.6166.90112.9L604 L605L604-K607 PolarHBondContact O-N 2.89Å; L605-K607 PolarHBondContact O-N 2.91Å; L605-K607 VanDerWaalsContact O-N 3.1Å
608A82.7Confident79.6Confident39 Ų39118.1 Ų118.132%0.32259%0.586SS.*  trans-79.7144.3176.700000111L605 I610L605-A608 WeakPolarHBondContact O-CB 3.31Å; L605-A608 PolarHBondContact O-N 3.44Å; A608-I610 VanDerWaalsContact C-N 3.26Å; A608-I610 PolarHBondContact O-N 3.34Å
609V72Confident79.9Confident112 Ų112118.6 Ų118.668%0.67960%0.598SS**SBendtrans-66.8-32.5173.1178.90000111T611 F614V609-T611 PolarHBondContact O-N 2.85Å; V609-T611 VanDerWaalsContact O-N 3.17Å; V609-F614 HydrophobicContact CG1-CE2 3.95Å; V609-F614 VanDerWaalsContact O-CD2 3.26Å; V609-F614 WeakPolarHBondContact O-CD2 3.27Å
610I80.8Confident80.3Confident128 Ų128115.9 Ų115.966%0.65659%0.593SS**  trans-84.686.4177.1-50.6174.7000108.8A608A608-I610 VanDerWaalsContact C-N 3.26Å; A608-I610 PolarHBondContact O-N 3.34Å
611T82.3Confident80.3Confident64 Ų64113.8 Ų113.839%0.39359%0.593SS.*  trans-78159.3163.353.90000110.2V609 D613 F614V609-T611 PolarHBondContact O-N 2.85Å; V609-T611 VanDerWaalsContact O-N 3.17Å; T611-D613 PolarHBondContact O-N 3.11Å; T611-F614 WeakPolarHBondContact O-CB 3.44Å; T611-F614 PolarHBondContact O-N 3.1Å; T611-F614 PolarHBondContact OG1-N 3.04Å
612P83Confident80.4Confident113 Ų113111.4 Ų111.473%0.73459%0.592SS**THydrogen-bonded Turntrans-65.6-14.7174.227.5-35.9000113.6
613D81Confident80.5Confident86 Ų86118.4 Ų118.446%0.4661%0.612SS.*THydrogen-bonded Turntrans-88.8-1.8170.5-64.5-65.1000113T611 E615 K616T611-D613 PolarHBondContact O-N 3.11Å; D613-E615 VanDerWaalsContact C-N 3.28Å; D613-E615 PolarHBondContact O-N 2.77Å; D613-K616 HydrophobicContact CB-CD 4.37Å; D613-K616 WeakPolarHBondContact O-CB 3.41Å; D613-K616 PolarHBondContact O-N 2.71Å; D613-K616 WeakPolarHBondContact OD1-CE 3.48Å; D613-K616 IonicContact OD1-NZ 2.95Å; D613-K616 PolarHBondContact OD1-NZ 2.79Å
614F81.9Confident80.5Confident48 Ų48117.7 Ų117.721%0.21162%0.62CS.*G310 helixtrans-60.5-37.9-178-175.2-94.2000112.3V609 T611 K616 N617 V620V609-F614 HydrophobicContact CG1-CE2 3.95Å; V609-F614 VanDerWaalsContact O-CD2 3.26Å; V609-F614 WeakPolarHBondContact O-CD2 3.27Å; T611-F614 WeakPolarHBondContact O-CB 3.44Å; T611-F614 PolarHBondContact O-N 3.1Å; T611-F614 PolarHBondContact OG1-N 3.04Å; F614-K616 PolarHBondContact O-N 3.06Å; F614-K616 VanDerWaalsContact O-N 3.13Å; F614-N617 WeakPolarHBondContact CA-ND2 3.22Å; F614-N617 WeakPolarHBondContact O-CB 3.39Å; F614-N617 PolarHBondContact O-N 3.03Å; F614-N617 PolarHBondContact O-ND2 3.37Å; F614-V620 HydrophobicContact CE1-CG2 4.17Å; F614-V620 HydrophobicContact CE2-CG1 4.18Å; F614-V620 HydrophobicContact CZ-CB 4.25Å; F614-V620 HydrophobicContact CZ-CG1 3.78Å; F614-V620 HydrophobicContact CZ-CG2 3.7Å
615E83.3Confident80.9Confident182 Ų182115.5 Ų115.585%0.8561%0.606SS**G310 helixtrans-60.4-18.3176.1-62.7173-171.500113.6D613D613-E615 VanDerWaalsContact C-N 3.28Å; D613-E615 PolarHBondContact O-N 2.77Å
616K85.9Confident81.5Confident158 Ų158113.4 Ų113.469%0.68760%0.6SS**G310 helixtrans-88.9-7.9178.5-56.9170.5-174.2167.60112.8D613 F614D613-K616 HydrophobicContact CB-CD 4.37Å; D613-K616 WeakPolarHBondContact O-CB 3.41Å; D613-K616 PolarHBondContact O-N 2.71Å; D613-K616 WeakPolarHBondContact OD1-CE 3.48Å; D613-K616 IonicContact OD1-NZ 2.95Å; D613-K616 PolarHBondContact OD1-NZ 2.79Å; F614-K616 PolarHBondContact O-N 3.06Å; F614-K616 VanDerWaalsContact O-N 3.13Å
617N80.7Confident82.3Confident88 Ų88114.9 Ų114.947%0.47160%0.604SS.*  trans-84.3119.9178.8-63.4-52.5000110.2F614 C619F614-N617 WeakPolarHBondContact CA-ND2 3.22Å; F614-N617 WeakPolarHBondContact O-CB 3.39Å; F614-N617 PolarHBondContact O-N 3.03Å; F614-N617 PolarHBondContact O-ND2 3.37Å; N617-C619 PolarHBondContact O-N 2.61Å
618H80.1Confident83Confident200 Ų200114.1 Ų114.193%0.92660%0.598SS**SBendtrans-63.4-11.4-179.2-154.8-42.5000114
619C80.1Confident83.5Confident105 Ų105116.3 Ų116.371%0.70960%0.601SS**SBendtrans-154.8149.1170.8-174.80000109.6N617N617-C619 PolarHBondContact O-N 2.61Å
620V81.4Confident84.5Confident88 Ų88114.2 Ų114.253%0.53359%0.586SS.*PPolyproline II helixtrans-70.1132.9174.7-179.70000109.8F614F614-V620 HydrophobicContact CE1-CG2 4.17Å; F614-V620 HydrophobicContact CE2-CG1 4.18Å; F614-V620 HydrophobicContact CZ-CB 4.25Å; F614-V620 HydrophobicContact CZ-CG1 3.78Å; F614-V620 HydrophobicContact CZ-CG2 3.7Å
621P78.8Confident85.1Confident83 Ų83113.1 Ų113.154%0.53958%0.578SS.*PPolyproline II helixtrans-57133.6174.1-25.434.9000111.7
622P81.7Confident85.7Confident88 Ų88115 Ų11557%0.57158%0.581SS**PPolyproline II helixtrans-64.4138.4-177.226.7-34.9000111.3S624P622-S624 PolarHBondContact O-N 2.76Å; P622-S624 VanDerWaalsContact O-N 3.12Å
623Y79.2Confident86.1Confident240 Ų240113.8 Ų113.894%0.94156%0.564SS**SBendtrans-56.5-30.4-175.2178.4-102.6000114
624S83.1Confident86.6Confident92 Ų92116.8 Ų116.864%0.64357%0.569SS**SBendtrans-142.4151.6165.663.50000111.3P622P622-S624 PolarHBondContact O-N 2.76Å; P622-S624 VanDerWaalsContact O-N 3.12Å
625E86.5Confident87.1Confident78 Ų78119.9 Ų119.936%0.36458%0.579SS.*  trans-85.8133.4177.3-63.9-168.7-156.300111.3L630 K633E625-L630 HydrophobicContact CB-CD1 4.36Å; E625-L630 HydrophobicContact CB-CD2 3.96Å; E625-L630 HydrophobicContact CB-CG 3.87Å; E625-L630 WeakPolarHBondContact OE2-CD2 3.34Å; E625-K633 IonicContact OE1-NZ 2.62Å; E625-K633 PolarHBondContact OE1-NZ 3.46Å; E625-K633 WeakPolarHBondContact OE2-CD 3.49Å; E625-K633 WeakPolarHBondContact OE2-CE 3.37Å; E625-K633 IonicContact OE2-NZ 3.73Å; E625-K633 PolarHBondContact OE2-NZ 3.38Å
626S92.4Very high87.5Confident63 Ų63115 Ų11544%0.44156%0.556SS.*  trans-60.4145.4175.3169.70000111.3Y628 Q629 L630S626-Y628 PolarHBondContact O-N 3Å; S626-Y628 PolarHBondContact OG-N 2.79Å; S626-Q629 WeakPolarHBondContact O-CA 3.44Å; S626-Q629 WeakPolarHBondContact O-CB 3.4Å; S626-Q629 PolarHBondContact O-N 3.49Å; S626-L630 PolarHBondContact O-N 3.12Å
627K92.8Very high87.7Confident192 Ų192112.6 Ų112.684%0.83555%0.547SS*.Hα-helixtrans-48.9-36172.6-66.9179.2-178.9174.20111.9Q631K627-Q631 WeakPolarHBondContact O-CB 3.19Å; K627-Q631 PolarHBondContact O-N 3.39Å
628Y93.8Very high88Confident149 Ų149117.2 Ų117.258%0.58456%0.558SS**Hα-helixtrans-69.7-42.4175.7179-97.3000113S626 Q631 K632S626-Y628 PolarHBondContact O-N 3Å; S626-Y628 PolarHBondContact OG-N 2.79Å; Y628-Q631 PolarHBondContact O-N 3.17Å; Y628-K632 WeakPolarHBondContact O-CB 3.49Å; Y628-K632 PolarHBondContact O-N 3.36Å
629Q92.9Very high88.4Confident86 Ų86112.7 Ų112.740%0.40254%0.538SS..Hα-helixtrans-62.6-44.8176.1-68.9167.8-1700110.8S626 Q631 K632 K633S626-Q629 WeakPolarHBondContact O-CA 3.44Å; S626-Q629 WeakPolarHBondContact O-CB 3.4Å; S626-Q629 PolarHBondContact O-N 3.49Å; Q629-Q631 PolarHBondContact O-N 3.19Å; Q629-K632 WeakPolarHBondContact O-CB 3.31Å; Q629-K632 PolarHBondContact O-N 2.65Å; Q629-K633 WeakPolarHBondContact O-CG 3.37Å; Q629-K633 PolarHBondContact O-N 3.49Å
630L92.1Very high88.9Confident67 Ų67113.8 Ų113.835%0.35153%0.53SS..Hα-helixtrans-61.6-40.9174.1-67.9170.5000112E625 S626 R634E625-L630 HydrophobicContact CB-CD1 4.36Å; E625-L630 HydrophobicContact CB-CD2 3.96Å; E625-L630 HydrophobicContact CB-CG 3.87Å; E625-L630 WeakPolarHBondContact OE2-CD2 3.34Å; S626-L630 PolarHBondContact O-N 3.12Å; L630-R634 WeakPolarHBondContact O-CB 3.39Å; L630-R634 WeakPolarHBondContact O-CD 3.1Å; L630-R634 WeakPolarHBondContact O-CG 3.33Å; L630-R634 PolarHBondContact O-N 3.49Å
631Q93.8Very high89.4Confident106 Ų106111.4 Ų111.450%0.49552%0.516SS..Hα-helixtrans-66.7-37.6175-162.3-168.156.800112K627 Y628 Q629 R635K627-Q631 WeakPolarHBondContact O-CB 3.19Å; K627-Q631 PolarHBondContact O-N 3.39Å; Y628-Q631 PolarHBondContact O-N 3.17Å; Q629-Q631 PolarHBondContact O-N 3.19Å; Q631-R635 WeakPolarHBondContact O-CB 3.47Å; Q631-R635 PolarHBondContact O-N 3.44Å
632K94.8Very high90Very high104 Ų104108.8 Ų108.845%0.45250%0.502SS..Hα-helixtrans-64.3-50.1175-176.6-178.1174.1-175.60111.2Y628 Q629 R634 R635 E636Y628-K632 WeakPolarHBondContact O-CB 3.49Å; Y628-K632 PolarHBondContact O-N 3.36Å; Q629-K632 WeakPolarHBondContact O-CB 3.31Å; Q629-K632 PolarHBondContact O-N 2.65Å; K632-R634 PolarHBondContact O-N 3Å; K632-R635 CarbonylContact O-C 3.33Å; K632-R635 WeakPolarHBondContact O-CA 3.46Å; K632-R635 WeakPolarHBondContact O-CB 3.21Å; K632-R635 PolarHBondContact O-N 3.12Å; K632-E636 WeakPolarHBondContact CE-OE1 3.37Å; K632-E636 WeakPolarHBondContact CG-OE1 3.36Å; K632-E636 WeakPolarHBondContact O-CG 3.47Å; K632-E636 PolarHBondContact O-N 2.96Å
633K92.3Very high90.4Very high87 Ų87106.2 Ų106.238%0.37849%0.491SS..Hα-helixtrans-55.9-49.2174.4-72.9-177.4178.7-176.70111.8E625 Q629 R635 E636 E637E625-K633 IonicContact OE1-NZ 2.62Å; E625-K633 PolarHBondContact OE1-NZ 3.46Å; E625-K633 WeakPolarHBondContact OE2-CD 3.49Å; E625-K633 WeakPolarHBondContact OE2-CE 3.37Å; E625-K633 IonicContact OE2-NZ 3.73Å; E625-K633 PolarHBondContact OE2-NZ 3.38Å; Q629-K633 WeakPolarHBondContact O-CG 3.37Å; Q629-K633 PolarHBondContact O-N 3.49Å; K633-R635 VanDerWaalsContact C-N 3.25Å; K633-R635 PolarHBondContact O-N 3.18Å; K633-E636 PolarHBondContact O-N 2.95Å; K633-E636 VanDerWaalsContact O-N 3.08Å; K633-E637 WeakPolarHBondContact O-CB 3.19Å; K633-E637 VanDerWaalsContact O-CG 3.31Å; K633-E637 WeakPolarHBondContact O-CG 3.43Å; K633-E637 PolarHBondContact O-N 3.26Å
634R92.3Very high91Very high148 Ų148102 Ų10256%0.55848%0.484SS*.Hα-helixtrans-58.9-32.9174.3-72.2169.9179.9-176.60.6113.1L630 K632 E637 R638L630-R634 WeakPolarHBondContact O-CB 3.39Å; L630-R634 WeakPolarHBondContact O-CD 3.1Å; L630-R634 WeakPolarHBondContact O-CG 3.33Å; L630-R634 PolarHBondContact O-N 3.49Å; K632-R634 PolarHBondContact O-N 3Å; R634-E637 WeakPolarHBondContact CA-OE2 3.47Å; R634-R638 WeakPolarHBondContact O-CD 3.26Å; R634-R638 WeakPolarHBondContact O-CG 3.3Å; R634-R638 PolarHBondContact O-N 3.3Å
635R92.3Very high91.5Very high114 Ų114100.9 Ų100.943%0.4349%0.488SS..Hα-helixtrans-72.4-40.5175-171-177-69.2139.90.9111.2Q631 K632 K633 R638 Q639Q631-R635 WeakPolarHBondContact O-CB 3.47Å; Q631-R635 PolarHBondContact O-N 3.44Å; K632-R635 CarbonylContact O-C 3.33Å; K632-R635 WeakPolarHBondContact O-CA 3.46Å; K632-R635 WeakPolarHBondContact O-CB 3.21Å; K632-R635 PolarHBondContact O-N 3.12Å; K633-R635 VanDerWaalsContact C-N 3.25Å; K633-R635 PolarHBondContact O-N 3.18Å; R635-R638 PolarHBondContact O-N 2.89Å; R635-Q639 WeakPolarHBondContact O-CB 3.48Å; R635-Q639 VanDerWaalsContact O-CG 3.3Å; R635-Q639 WeakPolarHBondContact O-CG 3.39Å; R635-Q639 PolarHBondContact O-N 2.78Å
636E91.2Very high91.8Very high78 Ų78105.4 Ų105.436%0.36450%0.502SS..Hα-helixtrans-67.4-41.9175.9-70.3169.1-166.900112.3K632 K633 Q639 K640K632-E636 WeakPolarHBondContact CE-OE1 3.37Å; K632-E636 WeakPolarHBondContact CG-OE1 3.36Å; K632-E636 WeakPolarHBondContact O-CG 3.47Å; K632-E636 PolarHBondContact O-N 2.96Å; K633-E636 PolarHBondContact O-N 2.95Å; K633-E636 VanDerWaalsContact O-N 3.08Å; E636-Q639 CarbonylContact O-C 3.59Å; E636-Q639 PolarHBondContact O-N 2.79Å; E636-Q639 VanDerWaalsContact O-N 3.09Å; E636-K640 WeakPolarHBondContact O-CG 3.36Å; E636-K640 PolarHBondContact O-N 3.42Å
637E89.3Confident91.9Very high108 Ų108112.1 Ų112.151%0.50552%0.524SS..Hα-helixtrans-58.4-46.3172.8-72.7161.3-179.500111.9K633 R634 Q639 K640 T641K633-E637 WeakPolarHBondContact O-CB 3.19Å; K633-E637 VanDerWaalsContact O-CG 3.31Å; K633-E637 WeakPolarHBondContact O-CG 3.43Å; K633-E637 PolarHBondContact O-N 3.26Å; R634-E637 WeakPolarHBondContact CA-OE2 3.47Å; E637-Q639 VanDerWaalsContact C-N 3.34Å; E637-Q639 PolarHBondContact O-N 2.98Å; E637-K640 PolarHBondContact O-N 3.05Å; E637-T641 PolarHBondContact O-OG1 2.95Å
638R88.4Confident91.8Very high185 Ų185104.6 Ų104.670%0.69850%0.501SS*.Hα-helixtrans-60.2-42.9170.5-69.9170.6-155.8-168.13.2111.3R634 R635 K640 T641R634-R638 WeakPolarHBondContact O-CD 3.26Å; R634-R638 WeakPolarHBondContact O-CG 3.3Å; R634-R638 PolarHBondContact O-N 3.3Å; R635-R638 PolarHBondContact O-N 2.89Å; R638-K640 VanDerWaalsContact C-N 3.31Å; R638-K640 PolarHBondContact O-N 3.33Å; R638-T641 CarbonylContact O-C 3.55Å; R638-T641 PolarHBondContact O-N 3.44Å; R638-T641 VanDerWaalsContact O-N 3.12Å
639Q88.4Confident91.7Very high106 Ų10698.8 Ų98.850%0.49548%0.479SS..Hα-helixtrans-70.6-17.9-179.1-77.7-175.524.300115.3R635 E636 E637 T641 K687 Y688R635-Q639 WeakPolarHBondContact O-CB 3.48Å; R635-Q639 VanDerWaalsContact O-CG 3.3Å; R635-Q639 WeakPolarHBondContact O-CG 3.39Å; R635-Q639 PolarHBondContact O-N 2.78Å; E636-Q639 CarbonylContact O-C 3.59Å; E636-Q639 PolarHBondContact O-N 2.79Å; E636-Q639 VanDerWaalsContact O-N 3.09Å; E637-Q639 VanDerWaalsContact C-N 3.34Å; E637-Q639 PolarHBondContact O-N 2.98Å; Q639-T641 PolarHBondContact O-N 3.17Å; Q639-K687 PolarHBondContact O-NZ 3.31Å; Q639-Y688 PolarHBondContact O-OH 2.92Å
640K89.1Confident91.7Very high128 Ų128102.2 Ų102.256%0.55749%0.492SS*.THydrogen-bonded Turntrans-71.8-10.3170.4-69.9162.8-169170.90112.4E636 E637 R638 K650 A651E636-K640 WeakPolarHBondContact O-CG 3.36Å; E636-K640 PolarHBondContact O-N 3.42Å; E637-K640 PolarHBondContact O-N 3.05Å; R638-K640 VanDerWaalsContact C-N 3.31Å; R638-K640 PolarHBondContact O-N 3.33Å; K640-K650 WeakPolarHBondContact O-CA 3.38Å; K640-A651 PolarHBondContact O-N 3.25Å
641T92.6Very high91.6Very high37 Ų37100.8 Ų100.823%0.22749%0.491CS..BIsolated β-bridgetrans-137.7151.4-162.8-40.90000111.2E637 R638 Q639 G643 G648 M649 Y688E637-T641 PolarHBondContact O-OG1 2.95Å; R638-T641 CarbonylContact O-C 3.55Å; R638-T641 PolarHBondContact O-N 3.44Å; R638-T641 VanDerWaalsContact O-N 3.12Å; Q639-T641 PolarHBondContact O-N 3.17Å; T641-G643 PolarHBondContact O-N 2.78Å; T641-G648 VanDerWaalsContact CG2-CA 3.48Å; T641-G648 WeakPolarHBondContact CG2-O 3.43Å; T641-M649 CarbonylContact C-O 3.55Å; T641-Y688 VanDerWaalsContact C-CE1 3.42Å; T641-Y688 WeakPolarHBondContact O-CE1 3.44Å; T641-Y688 PolarHBondContact O-OH 3.29Å
642A91.1Very high91.5Very high29 Ų2997.9 Ų97.924%0.2448%0.481CS..  trans-73-13.4174.800000113.8W646 M649 Y688A642-W646 HydrophobicContact CB-CB 3.54Å; A642-W646 HydrophobicContact CB-CG 4.16Å; A642-M649 HydrophobicContact CB-CB 4.01Å; A642-M649 HydrophobicContact CB-CE 4.2Å; A642-M649 WeakPolarHBondContact CB-O 3.47Å; A642-M649 PolarHBondContact N-O 3.08Å; A642-Y688 HydrophobicContact CB-CD1 4.4Å; A642-Y688 HydrophobicContact CB-CD2 3.94Å; A642-Y688 HydrophobicContact CB-CG 3.87Å
643G91.1Very high91.2Very high34 Ų34101.1 Ų101.135%0.35150%0.497SS..  trans102176.9-174.200000113.2T641 W646 G648T641-G643 PolarHBondContact O-N 2.78Å; G643-W646 CarbonylContact O-C 3.54Å; G643-W646 PolarHBondContact O-N 3.14Å; G643-G648 PolarHBondContact O-N 2.84Å; G643-G648 VanDerWaalsContact O-N 3.14Å
644D91.7Very high91.1Very high150 Ų150100.1 Ų100.180%0.80250%0.495SS*.G310 helixtrans-68.9-41.5-175.3-171.656000112.7W646 F647D644-W646 PolarHBondContact O-N 3.39Å; D644-F647 PolarHBondContact O-N 3.09Å
645G93.3Very high91.3Very high70 Ų7096.5 Ų96.572%0.72249%0.489SS*.G310 helixtrans-642.9171.900000115.6
646W92.7Very high91.3Very high173 Ų17396.5 Ų96.566%0.65550%0.498SS*.G310 helixtrans-128.631.5168.1-85.489.7000111.6A642 G643 D644 G648 M649A642-W646 HydrophobicContact CB-CB 3.54Å; A642-W646 HydrophobicContact CB-CG 4.16Å; G643-W646 CarbonylContact O-C 3.54Å; G643-W646 PolarHBondContact O-N 3.14Å; D644-W646 PolarHBondContact O-N 3.39Å; W646-G648 PolarHBondContact O-N 2.96Å; W646-G648 VanDerWaalsContact O-N 3.08Å; W646-M649 HydrophobicContact CD2-CE 4.11Å; W646-M649 HydrophobicContact CE3-CE 3.51Å; W646-M649 HydrophobicContact CZ3-CE 4.03Å; W646-M649 VanDerWaalsContact O-CB 3.31Å; W646-M649 WeakPolarHBondContact O-CB 3.47Å; W646-M649 PolarHBondContact O-N 2.78Å
647F93.5Very high91.4Very high204 Ų20499.1 Ų99.190%0.89551%0.51SS*.THydrogen-bonded Turntrans50.134.8175.1-56.8-74.5000114.5D644 M649D644-F647 PolarHBondContact O-N 3.09Å; F647-M649 VanDerWaalsContact C-N 3.33Å; F647-M649 PolarHBondContact O-N 2.9Å
648G90.6Very high91.7Very high34 Ų3494.8 Ų94.835%0.35149%0.49SS..THydrogen-bonded Turntrans69.225.7-17900000114.5T641 G643 W646 K650T641-G648 VanDerWaalsContact CG2-CA 3.48Å; T641-G648 WeakPolarHBondContact CG2-O 3.43Å; G643-G648 PolarHBondContact O-N 2.84Å; G643-G648 VanDerWaalsContact O-N 3.14Å; W646-G648 PolarHBondContact O-N 2.96Å; W646-G648 VanDerWaalsContact O-N 3.08Å; G648-K650 PolarHBondContact O-N 2.89Å
649M92.5Very high91.9Very high26 Ų2689.9 Ų89.913%0.12847%0.474CS..  trans-56.1109.8177.7175165.764.600111.6T641 A642 W646 F647 Q690T641-M649 CarbonylContact C-O 3.55Å; A642-M649 HydrophobicContact CB-CB 4.01Å; A642-M649 HydrophobicContact CB-CE 4.2Å; A642-M649 WeakPolarHBondContact CB-O 3.47Å; A642-M649 PolarHBondContact N-O 3.08Å; W646-M649 HydrophobicContact CD2-CE 4.11Å; W646-M649 HydrophobicContact CE3-CE 3.51Å; W646-M649 HydrophobicContact CZ3-CE 4.03Å; W646-M649 VanDerWaalsContact O-CB 3.31Å; W646-M649 WeakPolarHBondContact O-CB 3.47Å; W646-M649 PolarHBondContact O-N 2.78Å; F647-M649 VanDerWaalsContact C-N 3.33Å; F647-M649 PolarHBondContact O-N 2.9Å; M649-Q690 HydrophobicContact CG-CG 3.94Å; M649-Q690 HydrophobicContact SD-CG 4Å
650K91.8Very high92.2Very high158 Ų15889 Ų8969%0.68747%0.473SS*.BIsolated β-bridgetrans-67.8154.6178.3-60.6-179.6-179178.90111.7K640 G648 P652K640-K650 WeakPolarHBondContact O-CA 3.38Å; G648-K650 PolarHBondContact O-N 2.89Å; K650-P652 WeakPolarHBondContact O-CD 3.29Å
651A91.7Very high92.5Very high38 Ų3883.4 Ų83.431%0.31445%0.449SS..PPolyproline II helixtrans-78.1120163.500000109.9K640 K687 Y688K640-A651 PolarHBondContact O-N 3.25Å; A651-K687 WeakPolarHBondContact CB-O 3.48Å; A651-Y688 HydrophobicContact CB-CD1 3.7Å; A651-Y688 HydrophobicContact CB-CE1 3.94Å
652P90.8Very high92.6Very high44 Ų4482.5 Ų82.529%0.28644%0.443SS..PPolyproline II helixtrans-72.8151.9173.8-18.534.5000111.9K650 L658 F689K650-P652 WeakPolarHBondContact O-CD 3.29Å; P652-L658 HydrophobicContact CB-CD2 4.21Å; P652-F689 HydrophobicContact CB-CE2 4.1Å; P652-F689 HydrophobicContact CB-CZ 3.96Å; P652-F689 WeakPolarHBondContact CD-O 3.27Å; P652-F689 HydrophobicContact CG-CD2 4.02Å; P652-F689 HydrophobicContact CG-CE1 4.22Å; P652-F689 HydrophobicContact CG-CE2 3.66Å; P652-F689 HydrophobicContact CG-CG 4.41Å; P652-F689 HydrophobicContact CG-CZ 3.78Å; P652-F689 WeakPolarHBondContact CG-O 3.32Å
653E89.5Confident92.7Very high172 Ų17286.7 Ų86.780%0.80446%0.455SS*.PPolyproline II helixtrans-67.8132.8170.4-68.6-179.9-164.100110.7T655E653-T655 VanDerWaalsContact C-N 3.28Å; E653-T655 PolarHBondContact O-N 3.01Å
654M90.3Very high92.8Very high67 Ų6785.6 Ų85.633%0.3344%0.443SS..  trans-80.671.4-172.6-68.4-66.7-67.500111.6K659 L662 F685 F689M654-K659 HydrophobicContact CE-CG 4.02Å; M654-K659 WeakPolarHBondContact O-CE 3.37Å; M654-K659 PolarHBondContact O-NZ 2.87Å; M654-L662 HydrophobicContact CE-CD1 3.73Å; M654-L662 HydrophobicContact SD-CD1 4.19Å; M654-F685 HydrophobicContact CE-CB 4.21Å; M654-F685 HydrophobicContact CE-CD2 3.71Å; M654-F685 HydrophobicContact CE-CE2 4.45Å; M654-F685 HydrophobicContact CE-CG 4.26Å; M654-F689 HydrophobicContact SD-CE1 3.8Å; M654-F689 HydrophobicContact SD-CZ 3.83Å
655T94.8Very high92.9Very high71 Ų7182.5 Ų82.544%0.43643%0.426SS..  trans-61.8161.5174.275.50000111.7E653 L658 K659E653-T655 VanDerWaalsContact C-N 3.28Å; E653-T655 PolarHBondContact O-N 3.01Å; T655-L658 PolarHBondContact O-N 2.72Å; T655-L658 VanDerWaalsContact OG1-CB 3.27Å; T655-L658 WeakPolarHBondContact OG1-CB 3.42Å; T655-L658 PolarHBondContact OG1-N 3.26Å; T655-K659 WeakPolarHBondContact O-CG 3.48Å; T655-K659 PolarHBondContact O-N 3.2Å
656N94.1Very high92.9Very high114 Ų11483 Ų8361%0.6141%0.409SS*.Hα-helixtrans-71-33.5-177.2-67.2-23000112.8L658 K659 N660N656-L658 VanDerWaalsContact C-N 3.35Å; N656-K659 PolarHBondContact OD1-NZ 2.82Å; N656-K659 VanDerWaalsContact OD1-NZ 3.17Å; N656-N660 PolarHBondContact O-N 3.46Å; N656-N660 VanDerWaalsContact O-N 3.08Å; N656-N660 PolarHBondContact O-ND2 2.88Å; N656-N660 VanDerWaalsContact O-ND2 3.14Å
657E93.3Very high92.9Very high134 Ų13479.4 Ų79.463%0.62640%0.4SS*.Hα-helixtrans-60.6-45.8170.2-62.2179.5175.500110.9N660 D661 T714E657-N660 WeakPolarHBondContact O-CA 3.02Å; E657-N660 WeakPolarHBondContact O-CB 3.49Å; E657-N660 PolarHBondContact O-N 2.72Å; E657-D661 PolarHBondContact O-N 3.36Å; E657-T714 HydrophobicContact CB-CG2 4.46Å
658L94Very high92.9Very high17 Ų1774 Ų749%0.08937%0.374CS..Hα-helixtrans-69.8-37.8-178.1-170.545.3000113P652 T655 N656 N660 D661 L662 F689 I691P652-L658 HydrophobicContact CB-CD2 4.21Å; T655-L658 PolarHBondContact O-N 2.72Å; T655-L658 VanDerWaalsContact OG1-CB 3.27Å; T655-L658 WeakPolarHBondContact OG1-CB 3.42Å; T655-L658 PolarHBondContact OG1-N 3.26Å; N656-L658 VanDerWaalsContact C-N 3.35Å; L658-N660 PolarHBondContact O-N 2.91Å; L658-D661 PolarHBondContact O-N 3.25Å; L658-L662 HydrophobicContact CD1-CD1 4.32Å; L658-L662 HydrophobicContact CD1-CG 4.33Å; L658-L662 HydrophobicContact CG-CD1 4.23Å; L658-L662 WeakPolarHBondContact O-CB 3.22Å; L658-L662 VanDerWaalsContact O-CG 3.26Å; L658-L662 WeakPolarHBondContact O-CG 3.42Å; L658-L662 PolarHBondContact O-N 2.84Å; L658-F689 HydrophobicContact CD1-CE2 3.8Å; L658-F689 HydrophobicContact CD1-CZ 4.28Å; L658-F689 HydrophobicContact CD2-CE2 3.72Å; L658-F689 HydrophobicContact CD2-CZ 3.72Å; L658-F689 HydrophobicContact CG-CE2 3.94Å; L658-F689 HydrophobicContact CG-CZ 3.95Å; L658-I691 HydrophobicContact CD1-CD1 3.54Å; L658-I691 HydrophobicContact CD1-CG1 4.03Å; L658-I691 HydrophobicContact CD2-CD1 4.1Å; L658-I691 HydrophobicContact CG-CD1 4.41Å
659K94.1Very high93Very high82 Ų8275.5 Ų75.536%0.35738%0.383SS..Hα-helixtrans-58.7-36.6167.6-73.2160.5174.9142.20111.8M654 T655 N656 K663M654-K659 HydrophobicContact CE-CG 4.02Å; M654-K659 WeakPolarHBondContact O-CE 3.37Å; M654-K659 PolarHBondContact O-NZ 2.87Å; T655-K659 WeakPolarHBondContact O-CG 3.48Å; T655-K659 PolarHBondContact O-N 3.2Å; N656-K659 PolarHBondContact OD1-NZ 2.82Å; N656-K659 VanDerWaalsContact OD1-NZ 3.17Å; K659-K663 WeakPolarHBondContact O-CB 3.46Å; K659-K663 PolarHBondContact O-N 2.67Å
660N94.6Very high93Very high86 Ų8677.6 Ų77.646%0.4640%0.4SS..Hα-helixtrans-71.6-45.1177.6-71.3-30.1000111.8N656 E657 L658 K663 A664 V716N656-N660 PolarHBondContact O-N 3.46Å; N656-N660 VanDerWaalsContact O-N 3.08Å; N656-N660 PolarHBondContact O-ND2 2.88Å; N656-N660 VanDerWaalsContact O-ND2 3.14Å; E657-N660 WeakPolarHBondContact O-CA 3.02Å; E657-N660 WeakPolarHBondContact O-CB 3.49Å; E657-N660 PolarHBondContact O-N 2.72Å; L658-N660 PolarHBondContact O-N 2.91Å; N660-K663 WeakPolarHBondContact O-CB 3.32Å; N660-K663 PolarHBondContact O-N 3.17Å; N660-A664 WeakPolarHBondContact O-CB 3.47Å; N660-A664 PolarHBondContact O-N 3.33Å; N660-V716 HydrophobicContact CB-CG2 4.37Å
661D94.7Very high92.9Very high12 Ų1272 Ų726%0.06438%0.377CS..Hα-helixtrans-62.6-44.1175.7-88.28.2000112.1E657 L658 K663 A664 L665 T714 I715 V716E657-D661 PolarHBondContact O-N 3.36Å; L658-D661 PolarHBondContact O-N 3.25Å; D661-K663 VanDerWaalsContact C-N 3.32Å; D661-K663 PolarHBondContact O-N 2.92Å; D661-A664 WeakPolarHBondContact O-CB 3.39Å; D661-A664 PolarHBondContact O-N 3.06Å; D661-L665 WeakPolarHBondContact O-CG 3.06Å; D661-L665 PolarHBondContact O-N 3.06Å; D661-T714 WeakPolarHBondContact OD2-CA 3.46Å; D661-T714 VanDerWaalsContact OD2-CB 3.32Å; D661-T714 WeakPolarHBondContact OD2-CB 3.45Å; D661-I715 PolarHBondContact OD1-N 3.19Å; D661-I715 PolarHBondContact OD2-N 3.25Å; D661-V716 WeakPolarHBondContact OD1-CB 3.38Å; D661-V716 VanDerWaalsContact OD1-CG2 3.29Å; D661-V716 WeakPolarHBondContact OD1-CG2 3.13Å; D661-V716 PolarHBondContact OD1-N 3.33Å
662L93.9Very high92.8Very high18 Ų1872.5 Ų72.59%0.09437%0.374CS..Hα-helixtrans-64.8-34.9175.1-69.7168.2000112.4M654 L658 L665 K666 F685 P686 F689M654-L662 HydrophobicContact CE-CD1 3.73Å; M654-L662 HydrophobicContact SD-CD1 4.19Å; L658-L662 HydrophobicContact CD1-CD1 4.32Å; L658-L662 HydrophobicContact CD1-CG 4.33Å; L658-L662 HydrophobicContact CG-CD1 4.23Å; L658-L662 WeakPolarHBondContact O-CB 3.22Å; L658-L662 VanDerWaalsContact O-CG 3.26Å; L658-L662 WeakPolarHBondContact O-CG 3.42Å; L658-L662 PolarHBondContact O-N 2.84Å; L662-L665 HydrophobicContact CD2-CD1 4.48Å; L662-K666 WeakPolarHBondContact O-CB 3.42Å; L662-K666 PolarHBondContact O-N 3.32Å; L662-F685 HydrophobicContact CB-CD1 3.66Å; L662-F685 HydrophobicContact CB-CE1 3.67Å; L662-F685 HydrophobicContact CB-CG 4.23Å; L662-F685 HydrophobicContact CB-CZ 4.25Å; L662-F685 HydrophobicContact CD1-CB 4.4Å; L662-F685 HydrophobicContact CD1-CG 4.36Å; L662-P686 HydrophobicContact CD2-CG 4.37Å; L662-F689 HydrophobicContact CD1-CE1 4.08Å; L662-F689 HydrophobicContact CD1-CE2 4.29Å; L662-F689 HydrophobicContact CD1-CZ 3.82Å
663K93.6Very high92.8Very high116 Ų11673.6 Ų73.650%0.50438%0.382SS..Hα-helixtrans-68.3-40.2172.3-176178.1179.3-179.40111.7K659 N660 D661 K666 M667 F685K659-K663 WeakPolarHBondContact O-CB 3.46Å; K659-K663 PolarHBondContact O-N 2.67Å; N660-K663 WeakPolarHBondContact O-CB 3.32Å; N660-K663 PolarHBondContact O-N 3.17Å; D661-K663 VanDerWaalsContact C-N 3.32Å; D661-K663 PolarHBondContact O-N 2.92Å; K663-K666 PolarHBondContact O-N 3.4Å; K663-M667 HydrophobicContact CG-SD 4.19Å; K663-M667 WeakPolarHBondContact O-CB 3.45Å; K663-M667 WeakPolarHBondContact O-CG 3.44Å; K663-M667 PolarHBondContact O-N 3.04Å; K663-F685 HydrophobicContact CB-CE1 4.39Å; K663-F685 HydrophobicContact CB-CZ 4.14Å
664A93.9Very high93Very high11 Ų1174 Ų749%0.09138%0.381CS..Hα-helixtrans-58.7-50.5172.400000110.8N660 D661 K666 M667 R668 M671 V716N660-A664 WeakPolarHBondContact O-CB 3.47Å; N660-A664 PolarHBondContact O-N 3.33Å; D661-A664 WeakPolarHBondContact O-CB 3.39Å; D661-A664 PolarHBondContact O-N 3.06Å; A664-K666 VanDerWaalsContact C-N 3.35Å; A664-K666 PolarHBondContact O-N 3.34Å; A664-M667 CarbonylContact O-C 3.55Å; A664-M667 WeakPolarHBondContact O-CA 3.45Å; A664-M667 PolarHBondContact O-N 3.05Å; A664-R668 PolarHBondContact O-N 3.13Å; A664-M671 HydrophobicContact CB-CE 3.52Å; A664-M671 WeakPolarHBondContact O-CE 3.32Å; A664-V716 HydrophobicContact CB-CG2 3.78Å
665L93.8Very high93.2Very high85 Ų8578 Ų7845%0.44539%0.392SS..Hα-helixtrans-57.8-43.1175.1-72.9168.4000112.4D661 L662 M667 R668 I715D661-L665 WeakPolarHBondContact O-CG 3.06Å; D661-L665 PolarHBondContact O-N 3.06Å; L662-L665 HydrophobicContact CD2-CD1 4.48Å; L665-M667 PolarHBondContact O-N 2.77Å; L665-R668 WeakPolarHBondContact O-CB 3.08Å; L665-R668 WeakPolarHBondContact O-CD 3.32Å; L665-R668 VanDerWaalsContact O-CG 3.24Å; L665-R668 WeakPolarHBondContact O-CG 3.23Å; L665-R668 PolarHBondContact O-N 2.93Å; L665-I715 HydrophobicContact CD1-CD1 4Å; L665-I715 HydrophobicContact CD2-CD1 4.14Å; L665-I715 HydrophobicContact CG-CD1 4.1Å
666K93.3Very high93.2Very high82 Ų8283.4 Ų83.436%0.35741%0.41SS..Hα-helixtrans-60.4-34.1173.9-168.7177.4-177.2-179.70112.1L662 K663 A664 N680 D683L662-K666 WeakPolarHBondContact O-CB 3.42Å; L662-K666 PolarHBondContact O-N 3.32Å; K663-K666 PolarHBondContact O-N 3.4Å; A664-K666 VanDerWaalsContact C-N 3.35Å; A664-K666 PolarHBondContact O-N 3.34Å; K666-N680 PolarHBondContact O-ND2 3.36Å; K666-D683 WeakPolarHBondContact CE-OD1 3.38Å; K666-D683 IonicContact NZ-OD1 2.63Å; K666-D683 PolarHBondContact NZ-OD1 3.41Å
667M92.7Very high93.2Very high96 Ų9682.8 Ų82.847%0.47340%0.4SS..THydrogen-bonded Turntrans-92.47.2-180-67-178.763.800114.6K663 A664 L665 A669 S670K663-M667 HydrophobicContact CG-SD 4.19Å; K663-M667 WeakPolarHBondContact O-CB 3.45Å; K663-M667 WeakPolarHBondContact O-CG 3.44Å; K663-M667 PolarHBondContact O-N 3.04Å; A664-M667 CarbonylContact O-C 3.55Å; A664-M667 WeakPolarHBondContact O-CA 3.45Å; A664-M667 PolarHBondContact O-N 3.05Å; L665-M667 PolarHBondContact O-N 2.77Å; M667-A669 PolarHBondContact O-N 3.33Å; M667-S670 PolarHBondContact O-N 3.04Å; M667-S670 PolarHBondContact O-OG 3.37Å
668R93.5Very high93.2Very high90 Ų9083.1 Ų83.134%0.3440%0.399SS..G310 helixtrans-48.2-35.5-175.766.1-173.3177.8174.31.8115.4A664 L665 S670 M671 Y677 K678A664-R668 PolarHBondContact O-N 3.13Å; L665-R668 WeakPolarHBondContact O-CB 3.08Å; L665-R668 WeakPolarHBondContact O-CD 3.32Å; L665-R668 VanDerWaalsContact O-CG 3.24Å; L665-R668 WeakPolarHBondContact O-CG 3.23Å; L665-R668 PolarHBondContact O-N 2.93Å; R668-S670 PolarHBondContact O-N 3.18Å; R668-M671 WeakPolarHBondContact O-CB 3.46Å; R668-M671 PolarHBondContact O-N 3.11Å; R668-M671 VanDerWaalsContact O-N 3.17Å; R668-Y677 HydrophobicContact CB-CD2 4.25Å; R668-Y677 HydrophobicContact CB-CE2 4.23Å; R668-Y677 HydrophobicContact CG-CD1 4.47Å; R668-Y677 HydrophobicContact CG-CD2 3.85Å; R668-Y677 HydrophobicContact CG-CE2 4.29Å; R668-Y677 HydrophobicContact CG-CG 3.95Å; R668-K678 PolarHBondContact NH2-O 3.04Å
669A93Very high93.1Very high67 Ų6791.2 Ų91.255%0.55443%0.434SS*.G310 helixtrans-69.7-7.4179.600000114.9M667M667-A669 PolarHBondContact O-N 3.33Å
670S91Very high92.9Very high70 Ų7090.8 Ų90.849%0.4944%0.435SS..G310 helixtrans-105.7-1.9172.263.90000114.1M667 R668M667-S670 PolarHBondContact O-N 3.04Å; M667-S670 PolarHBondContact O-OG 3.37Å; R668-S670 PolarHBondContact O-N 3.18Å
671M90.1Very high92.5Very high41 Ų4192.7 Ų92.720%0.20245%0.445CS..THydrogen-bonded Turntrans-81.6-55.7-174-69.2-179.6167.400113.3A664 R668 L719 F725A664-M671 HydrophobicContact CB-CE 3.52Å; A664-M671 WeakPolarHBondContact O-CE 3.32Å; R668-M671 WeakPolarHBondContact O-CB 3.46Å; R668-M671 PolarHBondContact O-N 3.11Å; R668-M671 VanDerWaalsContact O-N 3.17Å; M671-L719 HydrophobicContact CE-CD1 3.55Å; M671-L719 HydrophobicContact SD-CD1 3.88Å; M671-F725 HydrophobicContact CB-CE2 3.8Å; M671-F725 HydrophobicContact CG-CE2 3.9Å; M671-F725 HydrophobicContact CG-CZ 4.3Å
672D90.4Very high92.1Very high47 Ų47102.7 Ų102.725%0.25148%0.482SS..  trans-110.2113.3178.6178.6-2.2000108.9K674 R675D672-K674 PolarHBondContact O-N 2.96Å; D672-K674 VanDerWaalsContact O-N 3.1Å; D672-K674 VanDerWaalsContact OD1-CB 3.27Å; D672-K674 WeakPolarHBondContact OD1-CB 3.29Å; D672-K674 PolarHBondContact OD1-N 3.31Å; D672-R675 HydrophobicContact CB-CB 4.16Å; D672-R675 HydrophobicContact CB-CG 4.37Å; D672-R675 PolarHBondContact O-N 3.26Å; D672-R675 VanDerWaalsContact O-N 3.1Å; D672-R675 WeakPolarHBondContact OD2-CD 3.27Å; D672-R675 WeakPolarHBondContact OD2-CG 3.42Å; D672-R675 IonicContact OD2-NE 2.71Å; D672-R675 PolarHBondContact OD2-NE 3.19Å
673P91Very high91.6Very high68 Ų68109 Ų10944%0.44252%0.516SS..THydrogen-bonded Turntrans-65.8-9.5179.329.7-36.8000113.9Y728P673-Y728 HydrophobicContact CB-CE2 4.48Å; P673-Y728 HydrophobicContact CG-CE1 4.43Å; P673-Y728 HydrophobicContact CG-CE2 3.81Å
674K93.4Very high91.3Very high179 Ų179105.4 Ų105.478%0.77851%0.512SS*.THydrogen-bonded Turntrans-90.5-15.6175.2-56.4174.1-178.9171.90112.9D672D672-K674 PolarHBondContact O-N 2.96Å; D672-K674 VanDerWaalsContact O-N 3.1Å; D672-K674 VanDerWaalsContact OD1-CB 3.27Å; D672-K674 WeakPolarHBondContact OD1-CB 3.29Å; D672-K674 PolarHBondContact OD1-N 3.31Å
675R93.8Very high91.1Very high152 Ų152109.2 Ų109.257%0.57453%0.527SS*.  trans-114.7100.6-173.1-70.2176.8-166.7-98.84.3112.4D672 Y677D672-R675 HydrophobicContact CB-CB 4.16Å; D672-R675 HydrophobicContact CB-CG 4.37Å; D672-R675 PolarHBondContact O-N 3.26Å; D672-R675 VanDerWaalsContact O-N 3.1Å; D672-R675 WeakPolarHBondContact OD2-CD 3.27Å; D672-R675 WeakPolarHBondContact OD2-CG 3.42Å; D672-R675 IonicContact OD2-NE 2.71Å; D672-R675 PolarHBondContact OD2-NE 3.19Å; R675-Y677 HydrophobicContact CB-CE2 3.83Å; R675-Y677 WeakPolarHBondContact O-CD2 3.34Å
676F94.6Very high91Very high184 Ų184108.2 Ų108.281%0.80753%0.526SS*.  trans-85.8113.1172.8-58.6-75.8000110.5
677Y93.9Very high90.9Very high102 Ų102109.8 Ų109.840%0.453%0.532SS..PPolyproline II helixtrans-92.2154.8175.4-63.6-88000111.3R668 R675 K679R668-Y677 HydrophobicContact CB-CD2 4.25Å; R668-Y677 HydrophobicContact CB-CE2 4.23Å; R668-Y677 HydrophobicContact CG-CD1 4.47Å; R668-Y677 HydrophobicContact CG-CD2 3.85Å; R668-Y677 HydrophobicContact CG-CE2 4.29Å; R668-Y677 HydrophobicContact CG-CG 3.95Å; R675-Y677 HydrophobicContact CB-CE2 3.83Å; R675-Y677 WeakPolarHBondContact O-CD2 3.34Å; Y677-K679 PolarHBondContact O-N 2.84Å
678K94.4Very high90.9Very high141 Ų141108.4 Ų108.461%0.61352%0.522SS*.PPolyproline II helixtrans-54.4135.6163-166.9-162.6174-158.80109R668 D681R668-K678 PolarHBondContact NH2-O 3.04Å; K678-D681 VanDerWaalsContact CE-OD1 3.29Å; K678-D681 WeakPolarHBondContact CE-OD1 3.45Å; K678-D681 IonicContact NZ-OD1 3.17Å; K678-D681 PolarHBondContact NZ-OD1 3.45Å; K678-D681 IonicContact NZ-OD2 3.6Å; K678-D681 PolarHBondContact NZ-OD2 2.87Å
679K92.1Very high90.9Very high187 Ų187105.2 Ų105.281%0.81351%0.511SS*.PPolyproline II helixtrans-52.9150.1171.4-66177.8-178.8176.80110.1Y677Y677-K679 PolarHBondContact O-N 2.84Å
680N89.9Confident90.9Very high73 Ų73108.9 Ų108.939%0.3952%0.517SS..PPolyproline II helixtrans-75.3126.8-180-52.8-35.7000109.5K666 R682K666-N680 PolarHBondContact O-ND2 3.36Å; N680-R682 VanDerWaalsContact C-N 3.27Å; N680-R682 PolarHBondContact O-N 3.22Å
681D85.9Confident91Very high126 Ų126111.4 Ų111.467%0.67452%0.523SS*.SBendtrans-78.8-5.3-174.5-58-63.2000114.2K678K678-D681 VanDerWaalsContact CE-OD1 3.29Å; K678-D681 WeakPolarHBondContact CE-OD1 3.45Å; K678-D681 IonicContact NZ-OD1 3.17Å; K678-D681 PolarHBondContact NZ-OD1 3.45Å; K678-D681 IonicContact NZ-OD2 3.6Å; K678-D681 PolarHBondContact NZ-OD2 2.87Å
682R86.8Confident91.1Very high221 Ų221112.7 Ų112.783%0.83455%0.548SS*.SBendtrans-136.8141.4-179.7-63.5-176.1-178.9-178.70.1110.6N680N680-R682 VanDerWaalsContact C-N 3.27Å; N680-R682 PolarHBondContact O-N 3.22Å
683D82.5Confident91.3Very high150 Ų150116.7 Ų116.780%0.80257%0.574SS**SBendtrans-96.7104172.1-164.518.6000110.9K666K666-D683 WeakPolarHBondContact CE-OD1 3.38Å; K666-D683 IonicContact NZ-OD1 2.63Å; K666-D683 PolarHBondContact NZ-OD1 3.41Å
684G87.2Confident91.4Very high42 Ų42121.2 Ų121.243%0.43359%0.593SS.*SBendtrans152.3-167.3-178.800000112.2
685F90Very high91.4Very high90 Ų90118.8 Ų118.840%0.39559%0.592SS.*  trans-108.2149.4165.8-62.6-41.2000109.5M654 L662 K663M654-F685 HydrophobicContact CE-CB 4.21Å; M654-F685 HydrophobicContact CE-CD2 3.71Å; M654-F685 HydrophobicContact CE-CE2 4.45Å; M654-F685 HydrophobicContact CE-CG 4.26Å; L662-F685 HydrophobicContact CB-CD1 3.66Å; L662-F685 HydrophobicContact CB-CE1 3.67Å; L662-F685 HydrophobicContact CB-CG 4.23Å; L662-F685 HydrophobicContact CB-CZ 4.25Å; L662-F685 HydrophobicContact CD1-CB 4.4Å; L662-F685 HydrophobicContact CD1-CG 4.36Å; K663-F685 HydrophobicContact CB-CE1 4.39Å; K663-F685 HydrophobicContact CB-CZ 4.14Å
686P91.6Very high91.3Very high64 Ų64113.6 Ų113.642%0.41658%0.576SS.*  trans-65.6142.2174.127.8-33.7000111.1L662 F689L662-P686 HydrophobicContact CD2-CG 4.37Å; P686-F689 HydrophobicContact CB-CD1 4.29Å; P686-F689 HydrophobicContact CG-CB 4.12Å; P686-F689 HydrophobicContact CG-CD1 3.81Å; P686-F689 HydrophobicContact CG-CG 4.17Å; P686-F689 VanDerWaalsContact O-CD1 3.32Å; P686-F689 WeakPolarHBondContact O-CD1 3.46Å; P686-F689 WeakPolarHBondContact O-CE1 3.16Å
687K91.5Very high91.2Very high115 Ų115109 Ų10950%0.556%0.56SS.*SBendtrans-73.9-40.2175-173.1-171.1172.7-159.30112.4Q639 A651Q639-K687 PolarHBondContact O-NZ 3.31Å; A651-K687 WeakPolarHBondContact CB-O 3.48Å
688Y93.1Very high91Very high67 Ų67109.7 Ų109.726%0.26358%0.577SS.*SBendtrans-116.4128.1178.2-47.5-69.5000108.5Q639 T641 A642 A651Q639-Y688 PolarHBondContact O-OH 2.92Å; T641-Y688 VanDerWaalsContact C-CE1 3.42Å; T641-Y688 WeakPolarHBondContact O-CE1 3.44Å; T641-Y688 PolarHBondContact O-OH 3.29Å; A642-Y688 HydrophobicContact CB-CD1 4.4Å; A642-Y688 HydrophobicContact CB-CD2 3.94Å; A642-Y688 HydrophobicContact CB-CG 3.87Å; A651-Y688 HydrophobicContact CB-CD1 3.7Å; A651-Y688 HydrophobicContact CB-CE1 3.94Å
689F92.5Very high90.8Very high24 Ų24107.3 Ų107.311%0.10558%0.583CS.*  trans-165.4168.2177.860.7-87.5000108.3P652 M654 L658 L662 P686P652-F689 HydrophobicContact CB-CE2 4.1Å; P652-F689 HydrophobicContact CB-CZ 3.96Å; P652-F689 WeakPolarHBondContact CD-O 3.27Å; P652-F689 HydrophobicContact CG-CD2 4.02Å; P652-F689 HydrophobicContact CG-CE1 4.22Å; P652-F689 HydrophobicContact CG-CE2 3.66Å; P652-F689 HydrophobicContact CG-CG 4.41Å; P652-F689 HydrophobicContact CG-CZ 3.78Å; P652-F689 WeakPolarHBondContact CG-O 3.32Å; M654-F689 HydrophobicContact SD-CE1 3.8Å; M654-F689 HydrophobicContact SD-CZ 3.83Å; L658-F689 HydrophobicContact CD1-CE2 3.8Å; L658-F689 HydrophobicContact CD1-CZ 4.28Å; L658-F689 HydrophobicContact CD2-CE2 3.72Å; L658-F689 HydrophobicContact CD2-CZ 3.72Å; L658-F689 HydrophobicContact CG-CE2 3.94Å; L658-F689 HydrophobicContact CG-CZ 3.95Å; L662-F689 HydrophobicContact CD1-CE1 4.08Å; L662-F689 HydrophobicContact CD1-CE2 4.29Å; L662-F689 HydrophobicContact CD1-CZ 3.82Å; P686-F689 HydrophobicContact CB-CD1 4.29Å; P686-F689 HydrophobicContact CG-CB 4.12Å; P686-F689 HydrophobicContact CG-CD1 3.81Å; P686-F689 HydrophobicContact CG-CG 4.17Å; P686-F689 VanDerWaalsContact O-CD1 3.32Å; P686-F689 WeakPolarHBondContact O-CD1 3.46Å; P686-F689 WeakPolarHBondContact O-CE1 3.16Å
690Q92.6Very high90.6Very high144 Ų144100.3 Ų100.367%0.67356%0.555SS**  trans-133154.8173.3-72.4174.6-9.900109.8M649M649-Q690 HydrophobicContact CG-CG 3.94Å; M649-Q690 HydrophobicContact SD-CG 4Å
691I93.2Very high90.4Very high122 Ų122102.6 Ų102.663%0.62656%0.561SS**  trans-103.5119.4173.1-48.1170.6000106.5L658L658-I691 HydrophobicContact CD1-CD1 3.54Å; L658-I691 HydrophobicContact CD1-CG1 4.03Å; L658-I691 HydrophobicContact CD2-CD1 4.1Å; L658-I691 HydrophobicContact CG-CD1 4.41Å
692G93.8Very high90.5Very high69 Ų69105.8 Ų105.871%0.71157%0.565SS**  trans-120.8146.6176.300000110.8
693T94.1Very high90.6Very high130 Ų130103.4 Ų103.480%0.79856%0.563SS**PPolyproline II helixtrans-94.5141.2168.444.40000109.9V695T693-V695 PolarHBondContact O-N 3.29Å
694I93.4Very high90.8Very high164 Ų16499.4 Ų99.484%0.84155%0.547SS*.PPolyproline II helixtrans-75.1124.6174.3-58.9174.7000108
695V92.5Very high91.1Very high127 Ų127101.1 Ų101.177%0.7754%0.541SS*.PPolyproline II helixtrans-81.6133.2172.7-178.50000108.6T693T693-V695 PolarHBondContact O-N 3.29Å
696D91.6Very high91.1Very high43 Ų43100 Ų10023%0.2354%0.538CS..PPolyproline II helixtrans-65136.7179.2-47-90.3000111R705 R711D696-R705 HydrophobicContact CB-CG 4.37Å; D696-R705 WeakPolarHBondContact OD1-CG 3.26Å; D696-R711 IonicContact OD1-CZ 2.78Å; D696-R711 IonicContact OD1-NH1 2.72Å; D696-R711 IonicContact OD1-NH2 2.65Å; D696-R711 PolarHBondContact OD1-NH2 3.31Å; D696-R711 IonicContact OD2-CZ 2.72Å; D696-R711 IonicContact OD2-NH1 2.67Å; D696-R711 PolarHBondContact OD2-NH1 3.05Å; D696-R711 IonicContact OD2-NH2 3.06Å; D696-R711 PolarHBondContact OD2-NH2 2.93Å
697N92Very high91.1Very high87 Ų87100.3 Ų100.347%0.46554%0.54SS..PPolyproline II helixtrans-64.6130.7170.1-174.6-10.5000109.3A699 R705N697-A699 PolarHBondContact O-N 2.87Å; N697-A699 WeakPolarHBondContact OD1-CB 3.42Å; N697-A699 PolarHBondContact OD1-N 3.01Å; N697-R705 PolarHBondContact O-NH2 3.2Å
698P89.7Confident91.2Very high117 Ų117103.9 Ų103.976%0.7656%0.556SS**SBendtrans-59.9-30.2171.623.1-33.8000113.2
699A90.8Very high91.1Very high91 Ų91109.8 Ų109.875%0.75258%0.583SS**SBendtrans-80.8-22.7-173.900000115.2N697N697-A699 PolarHBondContact O-N 2.87Å; N697-A699 WeakPolarHBondContact OD1-CB 3.42Å; N697-A699 PolarHBondContact OD1-N 3.01Å
700D88.7Confident91.1Very high40 Ų40114.4 Ų114.421%0.21461%0.605CS.*  trans-114.1103.8172.6173.232.9000110.4Y702 H703 S704D700-Y702 PolarHBondContact OD1-N 2.85Å; D700-Y702 VanDerWaalsContact OD1-N 3.11Å; D700-H703 IonicContact OD1-CG 3.52Å; D700-H703 PolarHBondContact OD1-N 3.01Å; D700-H703 IonicContact OD1-ND1 2.77Å; D700-H703 PolarHBondContact OD1-ND1 2.98Å; D700-S704 WeakPolarHBondContact OD2-CB 3.43Å; D700-S704 PolarHBondContact OD2-N 3.39Å; D700-S704 PolarHBondContact OD2-OG 2.86Å
701F86.2Confident91.2Very high121 Ų121112.4 Ų112.453%0.53159%0.591SS.*SBendtrans-85.9-23.3179-174.5-91000113.2R705F701-R705 WeakPolarHBondContact O-CB 3.35Å
702Y87.4Confident91.2Very high193 Ų193110.2 Ų110.276%0.75758%0.577SS**SBendtrans-109.2-29.9-160.2-68.3-77.1000114.8D700D700-Y702 PolarHBondContact OD1-N 2.85Å; D700-Y702 VanDerWaalsContact OD1-N 3.11Å
703H87.9Confident91.2Very high171 Ų171118.1 Ų118.179%0.79259%0.585SS**SBendtrans-109.6-47.1-169.4-55.491.6000113.8D700D700-H703 IonicContact OD1-CG 3.52Å; D700-H703 PolarHBondContact OD1-N 3.01Å; D700-H703 IonicContact OD1-ND1 2.77Å; D700-H703 PolarHBondContact OD1-ND1 2.98Å
704S88.1Confident91.3Very high66 Ų66113.5 Ų113.546%0.46256%0.557SS.*SBendtrans-85.8-19179.557.30000114.1D700 I706D700-S704 WeakPolarHBondContact OD2-CB 3.43Å; D700-S704 PolarHBondContact OD2-N 3.39Å; D700-S704 PolarHBondContact OD2-OG 2.86Å; S704-I706 PolarHBondContact O-N 2.82Å
705R91.6Very high91.4Very high78 Ų78108.9 Ų108.929%0.29453%0.533SS..  trans-82.6103.3-171.1-175.9168.3-64.2-153.42.1112.8D696 N697 F701D696-R705 HydrophobicContact CB-CG 4.37Å; D696-R705 WeakPolarHBondContact OD1-CG 3.26Å; N697-R705 PolarHBondContact O-NH2 3.2Å; F701-R705 WeakPolarHBondContact O-CB 3.35Å
706I91.4Very high91.5Very high67 Ų67104.9 Ų104.934%0.34451%0.509SS..  trans-71.3128.4177.4-58.9176000109.9S704 Q710 R711S704-I706 PolarHBondContact O-N 2.82Å; I706-Q710 HydrophobicContact CG2-CB 3.7Å; I706-R711 HydrophobicContact CB-CG 4.22Å; I706-R711 HydrophobicContact CG2-CG 3.87Å; I706-R711 PolarHBondContact O-NE 3.42Å; I706-R711 PolarHBondContact O-NH2 2.74Å
707P91.7Very high91.7Very high71 Ų71106.4 Ų106.446%0.46152%0.515SS..  trans-67.2145.7178.627.1-35.3000112.2K709 Q710 R711P707-K709 PolarHBondContact O-N 3.03Å; P707-Q710 HydrophobicContact CG-CB 4.24Å; P707-Q710 HydrophobicContact CG-CG 4.15Å; P707-Q710 PolarHBondContact O-N 3.4Å; P707-R711 PolarHBondContact O-N 3.25Å
708K92.2Very high91.8Very high189 Ų189106.8 Ų106.882%0.82251%0.514SS*.THydrogen-bonded Turntrans-51-27.9-172.8-67.1-174.9178.7-178.50115.3
709K92.4Very high92Very high192 Ų192103 Ų10384%0.83549%0.487SS*.THydrogen-bonded Turntrans-72.4-29.9177.8-62.5-178-179.9179.50113.6P707 K712P707-K709 PolarHBondContact O-N 3.03Å; K709-K712 PolarHBondContact O-NZ 2.92Å
710Q91.8Very high92.2Very high121 Ų121103.7 Ų103.757%0.56548%0.477SS*.THydrogen-bonded Turntrans-88.1-28.1-179.2-74.5175.8-21.100112.4I706 P707 K712I706-Q710 HydrophobicContact CG2-CB 3.7Å; P707-Q710 HydrophobicContact CG-CB 4.24Å; P707-Q710 HydrophobicContact CG-CG 4.15Å; P707-Q710 PolarHBondContact O-N 3.4Å; Q710-K712 WeakPolarHBondContact O-CD 3.08Å; Q710-K712 WeakPolarHBondContact O-CG 3.35Å; Q710-K712 PolarHBondContact O-N 3.1Å
711R93.9Very high92.4Very high102 Ų102104 Ų10439%0.38549%0.486SS..  trans-58.1121.4173.7-59.8-176.6-164.5-147-5.6110.8D696 I706 P707D696-R711 IonicContact OD1-CZ 2.78Å; D696-R711 IonicContact OD1-NH1 2.72Å; D696-R711 IonicContact OD1-NH2 2.65Å; D696-R711 PolarHBondContact OD1-NH2 3.31Å; D696-R711 IonicContact OD2-CZ 2.72Å; D696-R711 IonicContact OD2-NH1 2.67Å; D696-R711 PolarHBondContact OD2-NH1 3.05Å; D696-R711 IonicContact OD2-NH2 3.06Å; D696-R711 PolarHBondContact OD2-NH2 2.93Å; I706-R711 HydrophobicContact CB-CG 4.22Å; I706-R711 HydrophobicContact CG2-CG 3.87Å; I706-R711 PolarHBondContact O-NE 3.42Å; I706-R711 PolarHBondContact O-NH2 2.74Å; P707-R711 PolarHBondContact O-N 3.25Å
712K95.1Very high92.8Very high76 Ų76101.4 Ų101.433%0.3348%0.477SS..  trans-112.4171.6-179-64.6-35.3-169.6-170.80111.7K709 Q710 E717 E718K709-K712 PolarHBondContact O-NZ 2.92Å; Q710-K712 WeakPolarHBondContact O-CD 3.08Å; Q710-K712 WeakPolarHBondContact O-CG 3.35Å; Q710-K712 PolarHBondContact O-N 3.1Å; K712-E717 HydrophobicContact CB-CB 3.94Å; K712-E717 HydrophobicContact CB-CG 3.9Å; K712-E717 WeakPolarHBondContact CB-OE2 3.24Å; K712-E717 HydrophobicContact CD-CG 4.12Å; K712-E717 WeakPolarHBondContact CD-OE1 3.37Å; K712-E717 HydrophobicContact CG-CB 4.24Å; K712-E717 HydrophobicContact CG-CG 3.83Å; K712-E718 HydrophobicContact CB-CB 4.11Å; K712-E718 HydrophobicContact CG-CB 4.12Å
713R93.8Very high93.1Very high235 Ų23596 Ų9689%0.88747%0.468SS*.SBendtrans-83.4-33178.5-67.4-178.4175.7179.5-1.4112.7E717R713-E717 PolarHBondContact N-OE2 3.1Å
714T95.6Very high93.3Very high32 Ų3295 Ų9520%0.19646%0.463CS..SBendtrans-129.4155.9-177.158.30000111.2E657 D661 V716 E717 E718E657-T714 HydrophobicContact CB-CG2 4.46Å; D661-T714 WeakPolarHBondContact OD2-CA 3.46Å; D661-T714 VanDerWaalsContact OD2-CB 3.32Å; D661-T714 WeakPolarHBondContact OD2-CB 3.45Å; T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.98Å; T714-E717 PolarHBondContact O-N 2.99Å; T714-E717 VanDerWaalsContact OG1-CB 3.23Å; T714-E717 WeakPolarHBondContact OG1-CB 3.34Å; T714-E717 PolarHBondContact OG1-N 2.87Å; T714-E718 PolarHBondContact O-N 2.77Å; T714-E718 VanDerWaalsContact O-N 3.11Å
715I94.3Very high93.6Very high68 Ų6893.7 Ų93.735%0.34945%0.449SS..Hα-helixtrans-64.8-38.4-179.5-56.4173.2000109.8D661 L665 E718 L719D661-I715 PolarHBondContact OD1-N 3.19Å; D661-I715 PolarHBondContact OD2-N 3.25Å; L665-I715 HydrophobicContact CD1-CD1 4Å; L665-I715 HydrophobicContact CD2-CD1 4.14Å; L665-I715 HydrophobicContact CG-CD1 4.1Å; I715-E718 PolarHBondContact O-N 3.45Å; I715-L719 HydrophobicContact CG2-CD1 4.24Å; I715-L719 WeakPolarHBondContact O-CG 3.23Å; I715-L719 PolarHBondContact O-N 2.96Å
716V95.5Very high93.7Very high42 Ų4296.1 Ų96.126%0.25546%0.458SS..Hα-helixtrans-66.6-35.9175.1169.60000112.1N660 D661 A664 T714 L720N660-V716 HydrophobicContact CB-CG2 4.37Å; D661-V716 WeakPolarHBondContact OD1-CB 3.38Å; D661-V716 VanDerWaalsContact OD1-CG2 3.29Å; D661-V716 WeakPolarHBondContact OD1-CG2 3.13Å; D661-V716 PolarHBondContact OD1-N 3.33Å; A664-V716 HydrophobicContact CB-CG2 3.78Å; T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.98Å; V716-L720 HydrophobicContact CG1-CD1 3.9Å; V716-L720 HydrophobicContact CG1-CG 4.39Å; V716-L720 WeakPolarHBondContact O-CB 3.16Å; V716-L720 WeakPolarHBondContact O-CG 3.38Å; V716-L720 PolarHBondContact O-N 3.37Å
717E95.4Very high93.9Very high75 Ų75102.9 Ų102.935%0.3548%0.48SS..Hα-helixtrans-65.6-39.6174.1-171.7-162.8173.800111.6K712 R713 T714 L720 A721K712-E717 HydrophobicContact CB-CB 3.94Å; K712-E717 HydrophobicContact CB-CG 3.9Å; K712-E717 WeakPolarHBondContact CB-OE2 3.24Å; K712-E717 HydrophobicContact CD-CG 4.12Å; K712-E717 WeakPolarHBondContact CD-OE1 3.37Å; K712-E717 HydrophobicContact CG-CB 4.24Å; K712-E717 HydrophobicContact CG-CG 3.83Å; R713-E717 PolarHBondContact N-OE2 3.1Å; T714-E717 PolarHBondContact O-N 2.99Å; T714-E717 VanDerWaalsContact OG1-CB 3.23Å; T714-E717 WeakPolarHBondContact OG1-CB 3.34Å; T714-E717 PolarHBondContact OG1-N 2.87Å; E717-L720 PolarHBondContact O-N 2.96Å; E717-A721 PolarHBondContact O-N 3.34Å
718E94.3Very high94Very high96 Ų96102.3 Ų102.345%0.44947%0.469SS..Hα-helixtrans-62.4-48.4175.3-168.6178.4162.100111.7K712 T714 I715 L720 A721 D722K712-E718 HydrophobicContact CB-CB 4.11Å; K712-E718 HydrophobicContact CG-CB 4.12Å; T714-E718 PolarHBondContact O-N 2.77Å; T714-E718 VanDerWaalsContact O-N 3.11Å; I715-E718 PolarHBondContact O-N 3.45Å; E718-L720 VanDerWaalsContact C-N 3.27Å; E718-L720 PolarHBondContact O-N 3Å; E718-A721 WeakPolarHBondContact O-CB 3.38Å; E718-A721 PolarHBondContact O-N 2.77Å; E718-D722 PolarHBondContact O-N 2.98Å
719L94Very high94.1Very high38 Ų3895.7 Ų95.720%0.19944%0.443CS..Hα-helixtrans-61.5-33175.5-71.2171.8000112.9M671 I715 F725M671-L719 HydrophobicContact CE-CD1 3.55Å; M671-L719 HydrophobicContact SD-CD1 3.88Å; I715-L719 HydrophobicContact CG2-CD1 4.24Å; I715-L719 WeakPolarHBondContact O-CG 3.23Å; I715-L719 PolarHBondContact O-N 2.96Å; L719-F725 HydrophobicContact CB-CD1 3.99Å; L719-F725 HydrophobicContact CB-CE1 3.68Å; L719-F725 HydrophobicContact CB-CZ 4.18Å; L719-F725 HydrophobicContact CD1-CE1 4.46Å; L719-F725 HydrophobicContact CD1-CZ 4.15Å; L719-F725 HydrophobicContact CD2-CD1 4.35Å; L719-F725 HydrophobicContact CD2-CD2 4.14Å; L719-F725 HydrophobicContact CD2-CE1 4.22Å; L719-F725 HydrophobicContact CD2-CE2 4.02Å; L719-F725 HydrophobicContact CD2-CG 4.29Å; L719-F725 HydrophobicContact CD2-CZ 4.03Å; L719-F725 HydrophobicContact CG-CE1 4.34Å; L719-F725 HydrophobicContact CG-CZ 4.36Å; L719-F725 WeakPolarHBondContact O-CD1 3.33Å
720L94.1Very high94.2Very high105 Ų10595.9 Ų95.955%0.5544%0.438SS..Hα-helixtrans-77.2-22.3174.4-72.7171.5000113.1V716 E717 E718 R726V716-L720 HydrophobicContact CG1-CD1 3.9Å; V716-L720 HydrophobicContact CG1-CG 4.39Å; V716-L720 WeakPolarHBondContact O-CB 3.16Å; V716-L720 WeakPolarHBondContact O-CG 3.38Å; V716-L720 PolarHBondContact O-N 3.37Å; E717-L720 PolarHBondContact O-N 2.96Å; E718-L720 VanDerWaalsContact C-N 3.27Å; E718-L720 PolarHBondContact O-N 3Å; L720-R726 VanDerWaalsContact O-CD 3.23Å; L720-R726 WeakPolarHBondContact O-CD 3.22Å; L720-R726 PolarHBondContact O-NE 2.87Å
721A94.8Very high94.4Very high47 Ų4796.5 Ų96.539%0.38844%0.435SS..Hα-helixtrans-73.4-39.3173.200000111.7E717 E718 S723 R726E717-A721 PolarHBondContact O-N 3.34Å; E718-A721 WeakPolarHBondContact O-CB 3.38Å; E718-A721 PolarHBondContact O-N 2.77Å; A721-S723 PolarHBondContact O-N 3.45Å; A721-R726 PolarHBondContact O-NH2 2.99Å
722D93.9Very high94.5Very high66 Ų6694.6 Ų94.635%0.35343%0.429SS..  trans-59.3133.6178.2178.528.7000112.6E718 E724 F725 R726E718-D722 PolarHBondContact O-N 2.98Å; D722-E724 PolarHBondContact OD1-N 2.81Å; D722-F725 HydrophobicContact CB-CB 4.15Å; D722-F725 WeakPolarHBondContact OD2-CB 3.01Å; D722-F725 PolarHBondContact OD2-N 3.1Å; D722-R726 WeakPolarHBondContact O-CG 3.27Å; D722-R726 PolarHBondContact O-NE 3.21Å
723S93.6Very high94.6Very high80 Ų8097.7 Ų97.756%0.55944%0.44SS*.Hα-helixtrans-82.7-30.5176.656.90000112.6A721 R727A721-S723 PolarHBondContact O-N 3.45Å; S723-R727 WeakPolarHBondContact O-CB 3.15Å; S723-R727 PolarHBondContact O-N 3.14Å
724E92.6Very high94.8Very high148 Ų14891.6 Ų91.669%0.69243%0.425SS*.Hα-helixtrans-72-50.9-179.1-63.2-148.2153.300111.3D722 R726 R727 Y728D722-E724 PolarHBondContact OD1-N 2.81Å; E724-R726 VanDerWaalsContact C-N 3.32Å; E724-R726 PolarHBondContact O-N 2.62Å; E724-R727 PolarHBondContact O-N 3.08Å; E724-R727 VanDerWaalsContact O-N 3.1Å; E724-Y728 WeakPolarHBondContact O-CB 3.44Å; E724-Y728 PolarHBondContact O-N 3.17Å
725F93.4Very high94.8Very high40 Ų4094.4 Ų94.418%0.17544%0.436CS..Hα-helixtrans-54.3-45.8173.8-177.9-103.4000111.7M671 L719 D722 Y728 N729M671-F725 HydrophobicContact CB-CE2 3.8Å; M671-F725 HydrophobicContact CG-CE2 3.9Å; M671-F725 HydrophobicContact CG-CZ 4.3Å; L719-F725 HydrophobicContact CB-CD1 3.99Å; L719-F725 HydrophobicContact CB-CE1 3.68Å; L719-F725 HydrophobicContact CB-CZ 4.18Å; L719-F725 HydrophobicContact CD1-CE1 4.46Å; L719-F725 HydrophobicContact CD1-CZ 4.15Å; L719-F725 HydrophobicContact CD2-CD1 4.35Å; L719-F725 HydrophobicContact CD2-CD2 4.14Å; L719-F725 HydrophobicContact CD2-CE1 4.22Å; L719-F725 HydrophobicContact CD2-CE2 4.02Å; L719-F725 HydrophobicContact CD2-CG 4.29Å; L719-F725 HydrophobicContact CD2-CZ 4.03Å; L719-F725 HydrophobicContact CG-CE1 4.34Å; L719-F725 HydrophobicContact CG-CZ 4.36Å; L719-F725 WeakPolarHBondContact O-CD1 3.33Å; D722-F725 HydrophobicContact CB-CB 4.15Å; D722-F725 WeakPolarHBondContact OD2-CB 3.01Å; D722-F725 PolarHBondContact OD2-N 3.1Å; F725-Y728 PolarHBondContact O-N 3.17Å; F725-N729 VanDerWaalsContact CD1-ND2 3.26Å; F725-N729 WeakPolarHBondContact CD1-ND2 3.34Å; F725-N729 WeakPolarHBondContact CD2-ND2 3.43Å; F725-N729 WeakPolarHBondContact CE1-ND2 3.44Å; F725-N729 WeakPolarHBondContact CE2-ND2 3.26Å; F725-N729 WeakPolarHBondContact CG-ND2 3.19Å; F725-N729 WeakPolarHBondContact CZ-ND2 3.15Å; F725-N729 VanDerWaalsContact O-CB 3.27Å; F725-N729 WeakPolarHBondContact O-CB 3.05Å; F725-N729 VanDerWaalsContact O-CG 3.3Å; F725-N729 PolarHBondContact O-N 2.93Å; F725-N729 PolarHBondContact O-ND2 2.9Å
726R94.3Very high94.9Very high128 Ų12894.6 Ų94.648%0.48344%0.437SS..Hα-helixtrans-61.6-44.1174.8-78.2-175.4-70.2164.6-7.9112.5L720 A721 D722 E724 R730L720-R726 VanDerWaalsContact O-CD 3.23Å; L720-R726 WeakPolarHBondContact O-CD 3.22Å; L720-R726 PolarHBondContact O-NE 2.87Å; A721-R726 PolarHBondContact O-NH2 2.99Å; D722-R726 WeakPolarHBondContact O-CG 3.27Å; D722-R726 PolarHBondContact O-NE 3.21Å; E724-R726 VanDerWaalsContact C-N 3.32Å; E724-R726 PolarHBondContact O-N 2.62Å; R726-R730 VanDerWaalsContact O-CB 3.26Å; R726-R730 WeakPolarHBondContact O-CB 3.38Å; R726-R730 PolarHBondContact O-N 2.9Å
727R94.9Very high95Very high210 Ų21096.5 Ų96.579%0.79244%0.444SS*.Hα-helixtrans-65.1-44.1177.8-173.7-179-177.4-168.22111.7S723 E724 R731S723-R727 WeakPolarHBondContact O-CB 3.15Å; S723-R727 PolarHBondContact O-N 3.14Å; E724-R727 PolarHBondContact O-N 3.08Å; E724-R727 VanDerWaalsContact O-N 3.1Å; R727-R731 WeakPolarHBondContact O-CB 3.26Å; R727-R731 PolarHBondContact O-N 3.46Å
728Y94.3Very high95Very high58 Ų5896 Ų9623%0.22745%0.452CS..Hα-helixtrans-62.3-53.5177.6176.3-102.2000111.4P673 E724 F725 R730 R731 K732P673-Y728 HydrophobicContact CB-CE2 4.48Å; P673-Y728 HydrophobicContact CG-CE1 4.43Å; P673-Y728 HydrophobicContact CG-CE2 3.81Å; E724-Y728 WeakPolarHBondContact O-CB 3.44Å; E724-Y728 PolarHBondContact O-N 3.17Å; F725-Y728 PolarHBondContact O-N 3.17Å; Y728-R730 PolarHBondContact O-N 2.95Å; Y728-R731 PolarHBondContact O-N 3.46Å; Y728-K732 HydrophobicContact CD2-CG 4.47Å; Y728-K732 HydrophobicContact CE1-CG 4.26Å; Y728-K732 HydrophobicContact CE2-CG 3.9Å; Y728-K732 PolarHBondContact O-N 3.17Å
729N94.3Very high95.1Very high51 Ų5196.9 Ų96.927%0.27346%0.456SS..Hα-helixtrans-64.8-40.1-178.2-73.6-30.1000112.6F725 R731 K732 Y733F725-N729 VanDerWaalsContact CD1-ND2 3.26Å; F725-N729 WeakPolarHBondContact CD1-ND2 3.34Å; F725-N729 WeakPolarHBondContact CD2-ND2 3.43Å; F725-N729 WeakPolarHBondContact CE1-ND2 3.44Å; F725-N729 WeakPolarHBondContact CE2-ND2 3.26Å; F725-N729 WeakPolarHBondContact CG-ND2 3.19Å; F725-N729 WeakPolarHBondContact CZ-ND2 3.15Å; F725-N729 VanDerWaalsContact O-CB 3.27Å; F725-N729 WeakPolarHBondContact O-CB 3.05Å; F725-N729 VanDerWaalsContact O-CG 3.3Å; F725-N729 PolarHBondContact O-N 2.93Å; F725-N729 PolarHBondContact O-ND2 2.9Å; N729-R731 VanDerWaalsContact C-N 3.34Å; N729-R731 PolarHBondContact O-N 3.27Å; N729-K732 PolarHBondContact O-N 2.79Å; N729-Y733 WeakPolarHBondContact O-CB 3.48Å; N729-Y733 PolarHBondContact O-N 3.4Å
730R95Very high95.2Very high196 Ų196101 Ų10174%0.7447%0.473SS*.Hα-helixtrans-62.4-42.6176.5-164.1176.9-160.9173.86.4111.5R726 Y728 L734R726-R730 VanDerWaalsContact O-CB 3.26Å; R726-R730 WeakPolarHBondContact O-CB 3.38Å; R726-R730 PolarHBondContact O-N 2.9Å; Y728-R730 PolarHBondContact O-N 2.95Å; R730-L734 VanDerWaalsContact O-CG 3.31Å; R730-L734 WeakPolarHBondContact O-CG 3.29Å; R730-L734 PolarHBondContact O-N 2.63Å; R730-L734 VanDerWaalsContact O-N 3.14Å
731R96.2Very high95.2Very high134 Ų13499 Ų9951%0.50647%0.47SS..Hα-helixtrans-62.2-52.3174.7179.6175.862.587.7-11.3111.5R727 Y728 N729 Y733 L734 E735R727-R731 WeakPolarHBondContact O-CB 3.26Å; R727-R731 PolarHBondContact O-N 3.46Å; Y728-R731 PolarHBondContact O-N 3.46Å; N729-R731 VanDerWaalsContact C-N 3.34Å; N729-R731 PolarHBondContact O-N 3.27Å; R731-Y733 PolarHBondContact O-N 3.5Å; R731-L734 PolarHBondContact O-N 2.93Å; R731-E735 IonicContact NH1-OE2 2.79Å; R731-E735 WeakPolarHBondContact O-CB 3.37Å; R731-E735 PolarHBondContact O-N 2.88Å
732K95.6Very high95.2Very high61 Ų6199.7 Ų99.727%0.26548%0.477SS..Hα-helixtrans-66.5-34.2-178.3-82.7-73.8172.3-164.60113.1Y728 N729 E735 I736Y728-K732 HydrophobicContact CD2-CG 4.47Å; Y728-K732 HydrophobicContact CE1-CG 4.26Å; Y728-K732 HydrophobicContact CE2-CG 3.9Å; Y728-K732 PolarHBondContact O-N 3.17Å; N729-K732 PolarHBondContact O-N 2.79Å; K732-E735 WeakPolarHBondContact CD-OE2 3.36Å; K732-E735 VanDerWaalsContact CE-OE2 3.29Å; K732-E735 WeakPolarHBondContact CE-OE2 3.42Å; K732-E735 IonicContact NZ-OE1 3.97Å; K732-E735 PolarHBondContact NZ-OE1 3.46Å; K732-E735 IonicContact NZ-OE2 3.37Å; K732-E735 PolarHBondContact NZ-OE2 2.95Å; K732-E735 PolarHBondContact O-N 3.32Å; K732-I736 WeakPolarHBondContact O-CB 3.31Å; K732-I736 WeakPolarHBondContact O-CD1 3.39Å; K732-I736 WeakPolarHBondContact O-CG1 3.2Å; K732-I736 PolarHBondContact O-N 3.14Å
733Y96.1Very high95.1Very high142 Ų142100.3 Ų100.356%0.55748%0.48SS*.Hα-helixtrans-62.2-47.6172.3177.1-95.5000111.6N729 R731 E735 I736 M737N729-Y733 WeakPolarHBondContact O-CB 3.48Å; N729-Y733 PolarHBondContact O-N 3.4Å; R731-Y733 PolarHBondContact O-N 3.5Å; Y733-E735 PolarHBondContact O-N 2.92Å; Y733-I736 PolarHBondContact O-N 3.27Å; Y733-M737 HydrophobicContact CD1-CG 4.11Å; Y733-M737 HydrophobicContact CD2-CG 4.33Å; Y733-M737 HydrophobicContact CE1-CG 3.7Å; Y733-M737 HydrophobicContact CE2-CG 3.95Å; Y733-M737 HydrophobicContact CE2-SD 4.27Å; Y733-M737 HydrophobicContact CG-CG 4.4Å; Y733-M737 WeakPolarHBondContact O-CB 3.23Å; Y733-M737 VanDerWaalsContact O-CG 3.23Å; Y733-M737 WeakPolarHBondContact O-CG 3.36Å; Y733-M737 PolarHBondContact O-N 3.46Å
734L97.8Very high95Very high107 Ų10798.7 Ų98.756%0.5647%0.471SS*.Hα-helixtrans-63.3-41.4176.9-70.2170.5000112R730 R731 M737 A738R730-L734 VanDerWaalsContact O-CG 3.31Å; R730-L734 WeakPolarHBondContact O-CG 3.29Å; R730-L734 PolarHBondContact O-N 2.63Å; R730-L734 VanDerWaalsContact O-N 3.14Å; R731-L734 PolarHBondContact O-N 2.93Å; L734-M737 PolarHBondContact O-N 2.85Å; L734-A738 WeakPolarHBondContact O-CB 3.36Å; L734-A738 PolarHBondContact O-N 3.37Å
735E97.1Very high94.8Very high91 Ų9194.3 Ų94.343%0.42546%0.461SS..Hα-helixtrans-56.6-51.8174-164.3-174.9135.200111.1R731 K732 Y733 M737 A738 E739R731-E735 IonicContact NH1-OE2 2.79Å; R731-E735 WeakPolarHBondContact O-CB 3.37Å; R731-E735 PolarHBondContact O-N 2.88Å; K732-E735 WeakPolarHBondContact CD-OE2 3.36Å; K732-E735 VanDerWaalsContact CE-OE2 3.29Å; K732-E735 WeakPolarHBondContact CE-OE2 3.42Å; K732-E735 IonicContact NZ-OE1 3.97Å; K732-E735 PolarHBondContact NZ-OE1 3.46Å; K732-E735 IonicContact NZ-OE2 3.37Å; K732-E735 PolarHBondContact NZ-OE2 2.95Å; K732-E735 PolarHBondContact O-N 3.32Å; Y733-E735 PolarHBondContact O-N 2.92Å; E735-M737 PolarHBondContact O-N 3.39Å; E735-A738 PolarHBondContact O-N 2.89Å; E735-E739 WeakPolarHBondContact O-CB 3.41Å; E735-E739 PolarHBondContact O-N 2.83Å
736I96.3Very high94.5Very high72 Ų7294 Ų9437%0.36947%0.468SS..Hα-helixtrans-65.4-35.7178.1-69.6164.7000112.1K732 Y733 K740K732-I736 WeakPolarHBondContact O-CB 3.31Å; K732-I736 WeakPolarHBondContact O-CD1 3.39Å; K732-I736 WeakPolarHBondContact O-CG1 3.2Å; K732-I736 PolarHBondContact O-N 3.14Å; Y733-I736 PolarHBondContact O-N 3.27Å; I736-K740 HydrophobicContact CG2-CD 3.94Å; I736-K740 VanDerWaalsContact CG2-CE 3.49Å; I736-K740 HydrophobicContact CG2-CG 4.46Å; I736-K740 VanDerWaalsContact O-CB 3.31Å; I736-K740 WeakPolarHBondContact O-CB 3.37Å; I736-K740 WeakPolarHBondContact O-CG 3.2Å; I736-K740 PolarHBondContact O-N 3.45Å
737M96.6Very high94Very high82 Ų8294.9 Ų94.940%0.40448%0.475SS..Hα-helixtrans-71.9-39.7177.8-73.5-64.5-73.700111.9Y733 L734 E735 K740 A741Y733-M737 HydrophobicContact CD1-CG 4.11Å; Y733-M737 HydrophobicContact CD2-CG 4.33Å; Y733-M737 HydrophobicContact CE1-CG 3.7Å; Y733-M737 HydrophobicContact CE2-CG 3.95Å; Y733-M737 HydrophobicContact CE2-SD 4.27Å; Y733-M737 HydrophobicContact CG-CG 4.4Å; Y733-M737 WeakPolarHBondContact O-CB 3.23Å; Y733-M737 VanDerWaalsContact O-CG 3.23Å; Y733-M737 WeakPolarHBondContact O-CG 3.36Å; Y733-M737 PolarHBondContact O-N 3.46Å; L734-M737 PolarHBondContact O-N 2.85Å; E735-M737 PolarHBondContact O-N 3.39Å; M737-K740 PolarHBondContact O-N 2.93Å; M737-K740 HydrophobicContact SD-CD 4.37Å; M737-A741 WeakPolarHBondContact O-CB 3.31Å; M737-A741 PolarHBondContact O-N 3.47Å
738A96.9Very high93.1Very high63 Ų6392.4 Ų92.452%0.52147%0.471SS..Hα-helixtrans-63.9-43.8172.100000111.3L734 E735 A741 A742L734-A738 WeakPolarHBondContact O-CB 3.36Å; L734-A738 PolarHBondContact O-N 3.37Å; E735-A738 PolarHBondContact O-N 2.89Å; A738-A741 PolarHBondContact O-N 2.79Å; A738-A742 WeakPolarHBondContact O-CB 3.27Å; A738-A742 PolarHBondContact O-N 3.07Å
739E96.3Very high92.1Very high115 Ų11596.5 Ų96.554%0.53749%0.49SS..Hα-helixtrans-62.8-44176-161.6-137.4130.200111.7E735 A741 A742 N743E735-E739 WeakPolarHBondContact O-CB 3.41Å; E735-E739 PolarHBondContact O-N 2.83Å; E739-A741 VanDerWaalsContact C-N 3.35Å; E739-A741 PolarHBondContact O-N 3.25Å; E739-A742 PolarHBondContact O-N 3.35Å; E739-N743 VanDerWaalsContact O-CB 3.27Å; E739-N743 WeakPolarHBondContact O-CB 3.41Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 2.9Å; E739-N743 VanDerWaalsContact O-ND2 3.07Å; E739-N743 PolarHBondContact OE1-ND2 2.97Å
740K95.4Very high91.2Very high126 Ų126103.5 Ų103.555%0.54851%0.512SS..Hα-helixtrans-60.3-41.7173.2-77.9169.6-179.4174.90112.2I736 M737 A744I736-K740 HydrophobicContact CG2-CD 3.94Å; I736-K740 VanDerWaalsContact CG2-CE 3.49Å; I736-K740 HydrophobicContact CG2-CG 4.46Å; I736-K740 VanDerWaalsContact O-CB 3.31Å; I736-K740 WeakPolarHBondContact O-CB 3.37Å; I736-K740 WeakPolarHBondContact O-CG 3.2Å; I736-K740 PolarHBondContact O-N 3.45Å; M737-K740 PolarHBondContact O-N 2.93Å; M737-K740 HydrophobicContact SD-CD 4.37Å; K740-A744 VanDerWaalsContact O-CB 3.31Å; K740-A744 WeakPolarHBondContact O-CB 3.31Å; K740-A744 PolarHBondContact O-N 3.41Å
741A94.8Very high90.3Very high61 Ų61101.2 Ų101.250%0.50451%0.508SS..Hα-helixtrans-65.6-45176.600000111.8M737 A738 E739 A744 A745M737-A741 WeakPolarHBondContact O-CB 3.31Å; M737-A741 PolarHBondContact O-N 3.47Å; A738-A741 PolarHBondContact O-N 2.79Å; E739-A741 VanDerWaalsContact C-N 3.35Å; E739-A741 PolarHBondContact O-N 3.25Å; A741-A744 PolarHBondContact O-N 3.45Å; A741-A745 WeakPolarHBondContact O-CB 3.45Å; A741-A745 PolarHBondContact O-N 2.81Å
742A92.9Very high89.1Confident63 Ų63102.4 Ų102.452%0.52152%0.517SS..Hα-helixtrans-62.2-45.1175.400000111.8A738 E739 A744 A745 G746A738-A742 WeakPolarHBondContact O-CB 3.27Å; A738-A742 PolarHBondContact O-N 3.07Å; E739-A742 PolarHBondContact O-N 3.35Å; A742-A744 VanDerWaalsContact C-N 3.33Å; A742-A744 PolarHBondContact O-N 3.24Å; A742-A745 PolarHBondContact O-N 3.43Å; A742-G746 PolarHBondContact O-N 2.86Å
743N91.9Very high87.9Confident79 Ų79106.6 Ų106.642%0.42254%0.535SS..Hα-helixtrans-62.2-37.6174.4-80.6-45.5000112.4E739 K747E739-N743 VanDerWaalsContact O-CB 3.27Å; E739-N743 WeakPolarHBondContact O-CB 3.41Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 2.9Å; E739-N743 VanDerWaalsContact O-ND2 3.07Å; E739-N743 PolarHBondContact OE1-ND2 2.97Å; N743-K747 WeakPolarHBondContact O-CB 3.42Å; N743-K747 VanDerWaalsContact O-CG 3.26Å; N743-K747 WeakPolarHBondContact O-CG 3.41Å; N743-K747 PolarHBondContact O-N 3.26Å
744A92.6Very high86.4Confident45 Ų45108.2 Ų108.237%0.37255%0.545SS..Hα-helixtrans-68.2-41.5174.100000112.1K740 A741 A742 K747 K748K740-A744 VanDerWaalsContact O-CB 3.31Å; K740-A744 WeakPolarHBondContact O-CB 3.31Å; K740-A744 PolarHBondContact O-N 3.41Å; A741-A744 PolarHBondContact O-N 3.45Å; A742-A744 VanDerWaalsContact C-N 3.33Å; A742-A744 PolarHBondContact O-N 3.24Å; A744-K747 PolarHBondContact O-N 3.43Å; A744-K748 WeakPolarHBondContact O-CG 3.48Å; A744-K748 PolarHBondContact O-N 3.05Å
745A89.1Confident84.7Confident57 Ų57109.2 Ų109.247%0.47155%0.545SS..Hα-helixtrans-63.6-44.9174.400000111.7A741 A742 K747 K748 F749A741-A745 WeakPolarHBondContact O-CB 3.45Å; A741-A745 PolarHBondContact O-N 2.81Å; A742-A745 PolarHBondContact O-N 3.43Å; A745-K747 VanDerWaalsContact C-N 3.35Å; A745-K747 PolarHBondContact O-N 2.83Å; A745-K748 WeakPolarHBondContact O-CB 3.26Å; A745-K748 PolarHBondContact O-N 2.88Å; A745-K748 VanDerWaalsContact O-N 3.13Å; A745-F749 PolarHBondContact O-N 2.93Å
746G86.7Confident82.8Confident32 Ų32115 Ų11533%0.3356%0.563SS.*Hα-helixtrans-60.2-40.5173.900000112.8A742 F749 R750A742-G746 PolarHBondContact O-N 2.86Å; G746-F749 PolarHBondContact O-N 3.35Å; G746-R750 WeakPolarHBondContact O-CB 3.43Å; G746-R750 WeakPolarHBondContact O-CG 3.35Å; G746-R750 PolarHBondContact O-N 3.13Å
747K82.8Confident80.6Confident147 Ų147122 Ų12264%0.63960%0.601SS**Hα-helixtrans-62.5-43.3171.5-75.7171.3-177.3-179.90112N743 A744 A745 K751N743-K747 WeakPolarHBondContact O-CB 3.42Å; N743-K747 VanDerWaalsContact O-CG 3.26Å; N743-K747 WeakPolarHBondContact O-CG 3.41Å; N743-K747 PolarHBondContact O-N 3.26Å; A744-K747 PolarHBondContact O-N 3.43Å; A745-K747 VanDerWaalsContact C-N 3.35Å; A745-K747 PolarHBondContact O-N 2.83Å; K747-K751 WeakPolarHBondContact O-CG 3.46Å; K747-K751 PolarHBondContact O-N 2.96Å
748K77.4Confident79.8Confident159 Ų159124.1 Ų124.169%0.69161%0.611SS**Hα-helixtrans-62.2-44.2174.6-72.3176.2180-1770111.8A744 A745 K751 K752A744-K748 WeakPolarHBondContact O-CG 3.48Å; A744-K748 PolarHBondContact O-N 3.05Å; A745-K748 WeakPolarHBondContact O-CB 3.26Å; A745-K748 PolarHBondContact O-N 2.88Å; A745-K748 VanDerWaalsContact O-N 3.13Å; K748-K751 PolarHBondContact O-N 3.37Å; K748-K752 PolarHBondContact O-N 3.39Å
749F72.3Confident78.9Confident144 Ų144127.3 Ų127.363%0.63262%0.616SS**Hα-helixtrans-65.1-45.2177.9-174.7-103000112.4A745 G746 K751 K752 K753A745-F749 PolarHBondContact O-N 2.93Å; G746-F749 PolarHBondContact O-N 3.35Å; F749-K751 VanDerWaalsContact C-N 3.31Å; F749-K751 PolarHBondContact O-N 3.15Å; F749-K752 PolarHBondContact O-N 2.87Å; F749-K752 VanDerWaalsContact O-N 3.15Å; F749-K753 PolarHBondContact O-N 3.26Å
750R76.2Confident77.9Confident198 Ų198127.9 Ų127.975%0.74762%0.62SS**Hα-helixtrans-60-38.5174.4-73.8178.173.8-176.43.6112.2G746 K754G746-R750 WeakPolarHBondContact O-CB 3.43Å; G746-R750 WeakPolarHBondContact O-CG 3.35Å; G746-R750 PolarHBondContact O-N 3.13Å; R750-K754 PolarHBondContact O-N 3.32Å
751K74.6Confident76.9Confident147 Ų147128.1 Ų128.164%0.63962%0.624SS**Hα-helixtrans-63.6-49.5170.9-74.5-173.3176.2-168.10111.5K747 K748 F749 K753 K754 F755K747-K751 WeakPolarHBondContact O-CG 3.46Å; K747-K751 PolarHBondContact O-N 2.96Å; K748-K751 PolarHBondContact O-N 3.37Å; F749-K751 VanDerWaalsContact C-N 3.31Å; F749-K751 PolarHBondContact O-N 3.15Å; K751-K753 VanDerWaalsContact C-N 3.3Å; K751-K753 PolarHBondContact O-N 3.23Å; K751-K754 PolarHBondContact O-N 3.37Å; K751-K754 VanDerWaalsContact O-N 3.13Å; K751-F755 WeakPolarHBondContact O-CD2 3.2Å; K751-F755 PolarHBondContact O-N 3.13Å
752K72Confident75.8Confident160 Ų160132.3 Ų132.370%0.69663%0.632SS**Hα-helixtrans-61.2-34.1179.4-168.7173.8-178.1178.10113.1K748 F749K748-K752 PolarHBondContact O-N 3.39Å; F749-K752 PolarHBondContact O-N 2.87Å; F749-K752 VanDerWaalsContact O-N 3.15Å
753K69.4Low74.6Confident148 Ų148136.9 Ų136.964%0.64364%0.639SS**Hα-helixtrans-72.6-28.9175.7-168.6172.8-178.6179.70113.3F749 K751F749-K753 PolarHBondContact O-N 3.26Å; K751-K753 VanDerWaalsContact C-N 3.3Å; K751-K753 PolarHBondContact O-N 3.23Å
754K65.6Low73.4Confident177 Ų177141 Ų14177%0.7766%0.655SS**Hα-helixtrans-69.5-36.8174.5-81-164.2168.5-157.10113.1R750 K751 R756R750-K754 PolarHBondContact O-N 3.32Å; K751-K754 PolarHBondContact O-N 3.37Å; K751-K754 VanDerWaalsContact O-N 3.13Å; K754-R756 VanDerWaalsContact C-N 3.25Å; K754-R756 PolarHBondContact O-N 2.75Å
755F62Low71.9Confident127 Ų127148.4 Ų148.456%0.55768%0.676SS**THydrogen-bonded Turntrans-88.536.5-180-58.7-64.1000113.4K751K751-F755 WeakPolarHBondContact O-CD2 3.2Å; K751-F755 PolarHBondContact O-N 3.13Å
756R58Low70.5Confident214 Ų214156 Ų15681%0.80869%0.694SS**THydrogen-bonded Turntrans-144.724.4-177-145.3-173-177.1-155.4-2.4114.5K754K754-R756 VanDerWaalsContact C-N 3.25Å; K754-R756 PolarHBondContact O-N 2.75Å
757N48.9Very low69Low219 Ų219167.3 Ų167.3100%1.17173%0.727SS**  trans-119.50164.8-73.926.4000108.1

Retrieved 757 of 757 residues in 94.6 ms (Link to these results)