A0A096MRP9_PAPAN Loading...

NAC-A/B domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MRP9, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 924 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low40.8Very low229 Ų229127.4 Ų127.4100%1.12878%0.784SS**  01510-70.4-50.6-79.600108.3
2P45.5Very low40.5Very low96 Ų96128.2 Ų128.262%0.62379%0.789SS**  -88.4161.7-110.631.2-38.7000114.6
3G34.6Very low40.6Very low81 Ų81131.5 Ų131.584%0.83579%0.79SS**  trans-107.192.7160.400000109.4
4E41.5Very low40.4Very low163 Ų163132.9 Ų132.976%0.76278%0.784SS**  trans-83.3121.8155.7-75.5162.9100.500105.9
5A45.3Very low40.2Very low93 Ų93135.9 Ų135.977%0.76979%0.787SS**  69.956.870.400000112.3E7A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 2.75Å
6T38.4Very low39.8Very low129 Ų129137.6 Ų137.679%0.79179%0.791SS**  trans-71.388.6168.8-450000110.2
7E44.6Very low40Very low174 Ų174136.1 Ų136.181%0.81379%0.788SS**  trans-67.4128.8163.4-171.5176116.100108.9A5A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 2.75Å
8T37.3Very low40Very low115 Ų115137 Ų13771%0.70678%0.783SS**  trans-144.6111.3173.8-61.90000109.8
9V43.1Very low40Very low112 Ų112136.6 Ų136.668%0.67979%0.786SS**PPolyproline II helixtrans-78.7133.3176.9173.70000110.2
10P41.8Very low39.5Very low116 Ų116138.2 Ų138.275%0.75379%0.786SS**PPolyproline II helixtrans-97.7129.5147.533.5-26.4000109.6
11A40.3Very low39.4Very low93 Ų93136.3 Ų136.377%0.76979%0.788SS**PPolyproline II helixtrans-98.3133.1171.700000110
12T36.6Very low39.1Very low137 Ų137134.3 Ų134.384%0.8478%0.776SS**  trans-151.9111.1161.5-4.10000111.4
13E42.3Very low38.6Very low172 Ų172135.3 Ų135.380%0.80478%0.78SS**  trans-56.8143.5145.7-133.1171.280.800107.5
14Q38.2Very low38.4Very low150 Ų150136.4 Ų136.470%0.70178%0.781SS**  -156.2143.750-99.4-179.7-8.900109.4
15E36.6Very low37.8Very low178 Ų178134.8 Ų134.883%0.83278%0.782SS**  74.3123.694-157.5177.3116.300115.3
16L34.6Very low37.4Very low163 Ų163137.8 Ų137.885%0.85379%0.785SS**  trans-149.1129.3176-154.9155.1000107.6
17P43.8Very low37.6Very low113 Ų113137.6 Ų137.673%0.73479%0.786SS**PPolyproline II helixtrans-74.4153.7-160.126.5-36000115.7
18Q38.4Very low36.9Very low152 Ų152137.7 Ų137.771%0.7179%0.789SS**PPolyproline II helixtrans-73143.5172-66.5-176.8-21.800112.3
19P39.9Very low36.7Very low129 Ų129137.2 Ų137.284%0.83879%0.79SS**PPolyproline II helixtrans-79.5127.5149.832.3-29000109.8
20Q31.3Very low36.2Very low168 Ų168137.5 Ų137.579%0.78580%0.797SS**  trans-114.7158.1163.5-69.4-158.97.300110.3
21A36Very low35.6Very low100 Ų100136.8 Ų136.883%0.82680%0.8SS**  trans-111.3135-172.900000112.1
22E31.5Very low35.2Very low186 Ų186139.9 Ų139.987%0.86980%0.803SS**  trans-138.9110.1165.7-151172.112200105.8
23T34.6Very low35Very low117 Ų117138.6 Ų138.672%0.71880%0.8SS**  5789.876.8-54.20000112.1
24A30.6Very low34.3Very low104 Ų104136.3 Ų136.386%0.8680%0.798SS**  trans-110.3124.7170.700000110.4
25V29.7Very low34Very low129 Ų129135.6 Ų135.678%0.78280%0.804SS**  trans-108.5149.1177175.80000109.8
26L36.4Very low33.8Very low157 Ų157131.5 Ų131.582%0.82280%0.8SS**  trans-56.2153.8178.7-57172.4000113.6
27P41.6Very low33.6Very low125 Ų125128.3 Ų128.381%0.81280%0.797SS**  trans-123.2156137.136.3-29.7000113.2
28M29.8Very low33Very low176 Ų176130.4 Ų130.487%0.86780%0.802SS**  trans-113.1165.1171.6-83.1-171.7161.500111.4
29S33Very low32.5Very low104 Ų104125.9 Ų125.973%0.72780%0.796SS**  trans87.7100.1150.2-59.80000121.5
30S32.5Very low32.1Very low118 Ų118127.6 Ų127.683%0.82579%0.792SS**  70.9116.8113.4-54.30000123
31A29.9Very low32.9Very low101 Ų101125.8 Ų125.884%0.83580%0.795SS**  trans159.4154.9134.500000112.3
32L32.4Very low32.7Very low158 Ų158123.6 Ų123.683%0.82778%0.782SS**  cis-173.1108.8-35.8-140.7175.4000110.4
33S31.3Very low32.8Very low110 Ų110123.5 Ų123.577%0.76978%0.782SS**  trans177.9118.8160.140.20000110
34V28.7Very low32.5Very low125 Ų125122.3 Ų122.376%0.75878%0.775SS**  66.1109.770.6-178.60000111.1
35T30.6Very low32.8Very low135 Ų135124.2 Ų124.283%0.82877%0.77SS**  -153.5163.469.9-49.40000113.4
36A32.2Very low33.7Very low91 Ų91123.1 Ų123.175%0.75277%0.765SS**  trans-74.7-177.1177.800000113.4
37A31.8Very low34.4Very low97 Ų97121.1 Ų121.180%0.80276%0.762SS**  cis-165-175.217.400000108.5
38L30.2Very low34.8Very low157 Ų157120.2 Ų120.282%0.82276%0.755SS**  cis-175.9151-14.1173.174.3000105
39G28.4Very low34.7Very low57 Ų57117.9 Ų117.959%0.58876%0.755SS**  cis128.8152.1-2.600000113.2
40Q31.3Very low34.7Very low164 Ų164118.4 Ų118.477%0.76676%0.759SS**  trans71.2165.3172.9-62.7-66.7-3600116.4
41P48.8Very low35.4Very low131 Ų131118.3 Ų118.385%0.85176%0.755SS**  cis-122.5175.4441-26.4000115.6
42G30.9Very low35.4Very low53 Ų53118 Ų11855%0.54675%0.753SS.*  cis159.6-167.9-9.200000114.6
43Q34.3Very low35.9Very low185 Ų185116.6 Ų116.686%0.86475%0.753SS**  trans75.1152.3177.3-94.6-156102.600117.5
44T26.8Very low35.9Very low92 Ų92119.5 Ų119.556%0.56476%0.755SS**  cis-153.5144-6.3-141.40000115.2
45L37.2Very low36Very low144 Ų144122.8 Ų122.875%0.75476%0.762SS**  26.8161.7128.9-59.2179.6000123.5
46P50.1Low35.8Very low106 Ų106121.6 Ų121.669%0.68876%0.757SS**  cis-145.3-149.8-32.740.7-19.4000113
47P49.3Very low36.6Very low115 Ų115123.2 Ų123.275%0.74776%0.761SS**  -122.8-142.1-61.331.2-7000112.4
48P50.7Low36.3Very low105 Ų105126.3 Ų126.368%0.68276%0.763SS**  -133.7179.9-81.342.6-25.8000117.9
49C28.7Very low36.3Very low128 Ų128124.1 Ų124.187%0.86576%0.761SS**  trans79.3144.6146.4-75.40000124.4
50S32.9Very low36.4Very low114 Ų114127.5 Ų127.580%0.79777%0.77SS**  trans-97-165.4170.6-34.50000110.9
51P45.9Very low36.2Very low116 Ų116123.6 Ų123.675%0.75377%0.766SS**  cis-140.9165.9-8.241-22.9000118
52A30.7Very low35.3Very low95 Ų95124.3 Ų124.379%0.78576%0.763SS**  trans58.6-178.2153.300000118.5
53P42.5Very low35.3Very low128 Ų128130 Ų13083%0.83178%0.775SS**  cis-125.8-154.5-11.243.5-26.2000114.1
54Q32.4Very low35.2Very low172 Ų172125.5 Ų125.580%0.80477%0.769SS**  trans-88.6167.1-177.4-60.5-177.30.400115.6
55Q30.2Very low35.5Very low194 Ų194125.5 Ų125.591%0.90778%0.779SS**  trans-140.3136.9149.8-76.9-167.8-18.900113.3
56C27.3Very low35.7Very low109 Ų109124.7 Ų124.774%0.73678%0.782SS**  trans-118.4153.1156-60.30000106.8
57P48.2Very low35.1Very low126 Ų126129.1 Ų129.182%0.81879%0.791SS**  -146.5-168.184.521.24.2000112.5
58L25.7Very low34.5Very low162 Ų162129.5 Ų129.585%0.84879%0.793SS**  cis175.4122.7-36.4175.274.9000107.3
59S29.5Very low33.9Very low111 Ų111129.5 Ų129.578%0.77680%0.795SS**  trans171.7143.2157.7-87.40000110.7
60T30.1Very low34.5Very low127 Ų127129 Ų12978%0.77979%0.791SS**  cis-162.4157.8-8.7-94.80000109.5
61A27.6Very low35Very low83 Ų83128.8 Ų128.869%0.68679%0.789SS**  trans89.5118.8163.100000122
62N30.6Very low34.2Very low146 Ų146129.2 Ų129.278%0.78179%0.79SS**  trans7492.2137.8-67.5-26.4000123.4
63Q31.5Very low34.1Very low173 Ų173132.1 Ų132.181%0.80879%0.791SS**  71.7137.1106.6-75.8-97.540.900122.3
64A31.1Very low33.8Very low90 Ų90130 Ų13074%0.74478%0.784SS**  trans65.399.8151.400000120.2
65A34.4Very low33.8Very low92 Ų92127.7 Ų127.776%0.7679%0.787SS**  trans-79.5158.8146.400000109.7
66P40.4Very low34.4Very low127 Ų127124.8 Ų124.883%0.82578%0.782SS**  -140.1171.877.837.7-21.8000115.9
67F37.1Very low35.5Very low198 Ų198124.9 Ų124.987%0.86878%0.782SS**  trans-59.9152.2168.7-69.2-77.2000112.2
68P37.4Very low35Very low123 Ų123127.9 Ų127.980%0.79978%0.782SS**  -148.9177.769.841.5-21.9000118
69S37.3Very low35.3Very low105 Ų105127.5 Ų127.573%0.73478%0.776SS**  trans-66.1178.5157.5-23.60000111.2
70P41.8Very low36.4Very low118 Ų118128.5 Ų128.577%0.76678%0.777SS**  cis-151-157.541.743.3-19.6000116
71S43.1Very low37.3Very low109 Ų109127 Ų12776%0.76277%0.77SS**  trans-92.6-149.2168.6-50.20000112
72T28.9Very low38Very low125 Ų125132.4 Ų132.477%0.76778%0.778SS**  trans77.5152.3177.6-0.30000113.9
73I30Very low38.1Very low157 Ų157131.4 Ų131.481%0.80578%0.777SS**  cis-136.1175.69.6-42162000110.2
74A34.7Very low38.2Very low84 Ų84132.2 Ų132.269%0.69478%0.781SS**  trans-109.8178.7176.900000114.1
75S33Very low38.1Very low122 Ų122133.6 Ų133.685%0.85379%0.785SS**  trans90.3151.7164.7-56.90000120
76T43Very low38.1Very low133 Ų133134.3 Ų134.382%0.81679%0.785SS**  trans-97.9-171.6-175540000111.1
77P50.4Low37.8Very low112 Ų112134.1 Ų134.173%0.72779%0.787SS**  cis-143-179.54.945.4-26.2000118.5
78F36.5Very low37.5Very low188 Ų188127.9 Ų127.983%0.82578%0.778SS**  trans52149.1148.9-115.5-109.1000125.2
79E32.6Very low37.4Very low155 Ų155128.7 Ų128.772%0.72478%0.781SS**  trans69.7149172-95.5156.5105.200118.7
80V52Low37.3Very low132 Ų132127.9 Ų127.980%0.878%0.781SS**  cis69.2159.79.7-71.30000118.1
81P48.9Very low36.8Very low95 Ų95130.3 Ų130.362%0.61779%0.786SS**  cis-141.4-175.611.945.6-27.1000119.9
82F42.8Very low37.4Very low196 Ų196130.6 Ų130.686%0.8679%0.786SS**  trans73.4149.2152.2-79.5-60.6000126.1
83T34.1Very low37.5Very low125 Ų125132.9 Ų132.977%0.76779%0.792SS**  trans-138.7147.7148.564.50000108.5
84Q32Very low37.5Very low190 Ų190128.5 Ų128.589%0.88879%0.786SS**  cis-127.8138.6-8.9-65.4-175.8-48.300110.7
85S30.1Very low37.4Very low119 Ų119131.1 Ų131.183%0.83279%0.793SS**  -179.9139.3116.8-167.40000112.2
86S34.2Very low37.2Very low108 Ų108129 Ų12976%0.75578%0.783SS**  trans66.889.5158.9-169.40000122.2
87S33.8Very low37.8Very low123 Ų123128.3 Ų128.386%0.8678%0.781SS**  71.4118.1128.3-176.50000124.1
88G31.6Very low36.8Very low66 Ų66131.8 Ų131.868%0.6879%0.788SS**  135.499.612900000123.6
89T33.7Very low36.5Very low141 Ų141126.8 Ų126.887%0.86578%0.781SS**  66.796.3125.7-44.20000125.7
90A35.4Very low37.5Very low88 Ų88125.3 Ų125.373%0.72779%0.785SS**  80.1143121.700000128.7
91L32.7Very low36.6Very low168 Ų168124.7 Ų124.788%0.8878%0.781SS**  trans94.4157.8150.8-67.2171.6000123.6
92P54.8Low35.8Very low116 Ų116129.9 Ų129.975%0.75380%0.795SS**  trans-143.2-164.2-143.648.2-29.7000121.4
93L30.8Very low35.6Very low172 Ų172128.1 Ų128.190%0.90179%0.794SS**  trans96.4152.2165.5-165.163.2000117.6
94G29.7Very low36.5Very low66 Ų66127.1 Ų127.168%0.6879%0.789SS**  cis-172.3-164.41.700000110.4
95T33.4Very low36.5Very low138 Ų138125 Ų12585%0.84778%0.784SS**  cis-168.3177.1-3.6-57.40000110.4
96A28.7Very low37Very low78 Ų78127.5 Ų127.565%0.64579%0.787SS**  trans-144.7-178.2-18000000112.8
97P56.3Low37.2Very low119 Ų119130.3 Ų130.377%0.77379%0.792SS**  cis-130.8-140.623.732.7-4.5000114.7
98E28.8Very low37.4Very low184 Ų184127.5 Ų127.586%0.8678%0.782SS**  cis-156.6-125.310.1-150.3-171.790.500117.9
99A31.2Very low37.8Very low83 Ų83130.2 Ų130.269%0.68679%0.788SS**  trans-139.3-161.1-159.200000115
100P52.1Low38.6Very low124 Ų124129.6 Ų129.681%0.80579%0.786SS**  cis-139.1-94.8639.5-13.7000120.7
101T34.6Very low38.8Very low119 Ų119133.4 Ų133.473%0.7379%0.793SS**  trans-141.6148-149.7-550000117
102F31.5Very low38.9Very low205 Ų205130.8 Ų130.890%0.89979%0.789SS**  trans171.7170.1135.7-107.7-82.1000116.4
103L38Very low38.2Very low159 Ų159131.4 Ų131.483%0.83279%0.792SS**  trans-96.4-175.6176.7-73.9171.7000111.7
104P54.3Low38.3Very low104 Ų104128.1 Ų128.168%0.67579%0.79SS**  cis-149.2-172.715.747.2-26000119.5
105N31.5Very low38.6Very low146 Ų146129.9 Ų129.978%0.78180%0.798SS**  trans30.8130.1146.5-58.1-9.2000123.2
106L40.6Very low38.7Very low170 Ų170131.5 Ų131.589%0.8980%0.801SS**  -172156.597.5-105.4169.6000113.5
107I38.1Very low39Very low168 Ų168132.3 Ų132.386%0.86281%0.808SS**  trans-125.6142.4176.1-73170.8000108.6
108G37.2Very low37.9Very low64 Ų64135.3 Ų135.366%0.6682%0.816SS**  trans-146.9155.2172.100000111.9
109P41.3Very low38Very low123 Ų123130.9 Ų130.980%0.79981%0.811SS**  trans-86.4159.7-163-9.629000114.6
110P49.7Very low38Very low128 Ų128132.5 Ų132.583%0.83182%0.817SS**  trans-76153.917632.8-35.5000112.7
111I39.8Very low37.6Very low168 Ų168132.2 Ų132.286%0.86282%0.816SS**  trans-112.7137.8175.4-57.7176.1000109
112S35.8Very low37.4Very low113 Ų113135.3 Ų135.379%0.7982%0.824SS**  trans-74.9162.6-175.4-1080000114.4
113P38Very low37.5Very low128 Ų128133.5 Ų133.583%0.83182%0.822SS**  trans-88.2124.6-161.233-35000114.8
114A33.4Very low37.4Very low103 Ų103129.9 Ų129.985%0.85182%0.815SS**  trans-149.867.2168.900000111.6
115A35.5Very low36.8Very low103 Ų103130.9 Ų130.985%0.85182%0.821SS**  trans-153.954.6-173.700000114.8
116L37.2Very low36.8Very low173 Ų173130.2 Ų130.291%0.90682%0.823SS**  trans-156.879.5178.2-148.2160.3000114.9
117A33.9Very low36.6Very low95 Ų95130 Ų13079%0.78582%0.822SS**  trans-176.361.4156.700000115
118L33.1Very low36.4Very low181 Ų181131.9 Ų131.995%0.94882%0.824SS**  trans-14493164.9-79.4-178.2000111.9
119A31.1Very low36.2Very low91 Ų91132.6 Ų132.675%0.75283%0.831SS**  trans-168.598.8163.100000114.7
120S31.7Very low35.8Very low118 Ų118133.3 Ų133.383%0.82583%0.833SS**  trans68.1177.3138.4-47.20000118.5
121P44.2Very low35.6Very low118 Ų118133 Ų13377%0.76683%0.831SS**  -133.2168.9-76.840-24.9000114.9
122M29.1Very low35.1Very low184 Ų184130.6 Ų130.691%0.90683%0.829SS**  trans-80144.7171.2-70.1173.261.800113.2
123I34.4Very low35Very low166 Ų166130.6 Ų130.685%0.85183%0.829SS**  trans-131.3136.9156.7-62.6-178.4000107.9
124A35.7Very low34.7Very low83 Ų83129.9 Ų129.969%0.68683%0.827SS**  trans-87.7177.4-174.100000113.4
125P41Very low34.8Very low125 Ų125128.8 Ų128.881%0.81282%0.818SS**  -126.5146.4117.136.3-32.5000114.9
126T32.3Very low35.3Very low132 Ų132129 Ų12981%0.8181%0.811SS**  trans-39.6145.8169.640.30000117.2
127L35.8Very low34.9Very low167 Ų167128.3 Ų128.387%0.87481%0.807SS**  -153.9162.8114.9-107.3171.6000112.6
128K35.3Very low34.7Very low207 Ų207128 Ų12890%0.981%0.805SS**  trans-77.3149.6-163.3-57.3169.9179.3176.40114.1
129G31.1Very low34.6Very low78 Ų78126.9 Ų126.980%0.80480%0.799SS**  trans170.597.6161.100000116
130T33Very low34.6Very low139 Ų139129.1 Ų129.185%0.85380%0.803SS**  trans-131.8163.5169.252.50000109.7
131P46.5Very low34.7Very low122 Ų122128.5 Ų128.579%0.79281%0.805SS**  cis-123.7178.3-4.940.3-25.7000114.6
132S29.5Very low34Very low117 Ų117130.9 Ų130.982%0.81881%0.81SS**  trans-67.7151.2166.3176.10000113
133S32.2Very low34.1Very low112 Ų112126.3 Ų126.378%0.78380%0.801SS**  -176.6152121.5-1620000114.6
134S33.1Very low34.4Very low113 Ų113124.1 Ų124.179%0.7980%0.798SS**  trans71.8125.2153-146.90000121.7
135A34.5Very low34.2Very low80 Ų80129.5 Ų129.566%0.66181%0.809SS**  trans-78.9-167.9152.700000109.5
136P45.9Very low33.8Very low109 Ų109129.3 Ų129.371%0.70881%0.81SS**  cis-140.5-165.15.430.3-3.4000115.7
137L29Very low33.8Very low158 Ų158129 Ų12983%0.82781%0.808SS**  trans88.7106.6157-55.1-179.1000120.9
138A29.6Very low33.5Very low88 Ų88129 Ų12973%0.72780%0.804SS**  89.3156.8116.200000122.1
139L31.4Very low33.3Very low158 Ų158128.1 Ų128.183%0.82780%0.8SS**  trans68.8122.1176-50.7-178.3000115.2
140V31.9Very low33.2Very low137 Ų137129.8 Ų129.883%0.8380%0.799SS**  cis72.59347.1-176.20000112.6
141A32.9Very low33Very low106 Ų106128.7 Ų128.788%0.87680%0.797SS**  trans-160.496156.700000109.7
142L29.7Very low32.3Very low168 Ų168127.5 Ų127.588%0.8880%0.798SS**  trans-132.599.1173.7-168.3147.8000109.6
143A32Very low32.4Very low87 Ų87131.5 Ų131.572%0.71980%0.801SS**  trans-157106.2173.900000109.9
144P39.7Very low33.6Very low120 Ų120131.1 Ų131.178%0.77980%0.796SS**PPolyproline II helixtrans-83.4146171.933.3-32.6000111
145H31.8Very low34.4Very low197 Ų197131 Ų13191%0.91279%0.792SS**PPolyproline II helixtrans-90.2147.7172.3-86.5-82.9000112.6
146S33.4Very low34.1Very low120 Ų120134.7 Ų134.784%0.83980%0.801SS**PPolyproline II helixtrans-90.7170.8-169.2-167.10000113.9
147V31.5Very low33.5Very low127 Ų127137.4 Ų137.477%0.7781%0.808SS**  trans-105.1124.9173.6178.10000109.7
148Q29.9Very low34Very low167 Ų167135.3 Ų135.378%0.7880%0.804SS**  trans173.8141132.8-97.4179.934.900114.1
149K30.5Very low34Very low187 Ų187136 Ų13681%0.81380%0.804SS**  trans25.8126.8139.3-63.5177.2178.11780117.5
150S29.3Very low34.1Very low114 Ų114133.8 Ų133.880%0.79780%0.801SS**  cis172.2175.248.349.30000113
151S29.6Very low35.6Very low115 Ų115132.8 Ų132.880%0.80480%0.798SS**  trans87.6143.1144.6-153.80000121.7
152A30.8Very low36.7Very low98 Ų98133 Ų13381%0.8179%0.79SS**  trans73.1160.4159.400000120.8
153F31.2Very low36.8Very low200 Ų200130 Ų13088%0.87778%0.783SS**  trans-128.8-173.5-168.5-127.4-60.8000109.7
154P58.6Low36.7Very low105 Ų105132.6 Ų132.668%0.68279%0.79SS**  trans-89.1174.7-131.146.6-34.1000114.1
155P48.4Very low36.3Very low109 Ų109131 Ų13171%0.70879%0.787SS**  -157.3166.781.341.6-21000118.9
156N28.3Very low36.2Very low158 Ų158128.5 Ų128.585%0.84579%0.785SS**  trans44.6141.4142.2-63.3-23.8000125.5
157L33.4Very low36.1Very low166 Ų166126.5 Ų126.587%0.86978%0.776SS**  trans-64.9156.9159.3-80.2154.2000113.1
158P41.1Very low36.2Very low115 Ų115128.6 Ų128.675%0.74778%0.777SS**  -153172.5102.639.8-21.5000118.8
159S27.9Very low36.4Very low102 Ų102125.5 Ų125.571%0.71377%0.774SS**  trans-30.3165.5163.2530000121.6
160S34.2Very low36.3Very low111 Ų111120.1 Ų120.178%0.77677%0.771SS**  cis-161.4-104.9-13.7-87.10000115.3
161P63.2Low36.4Very low117 Ų117120.2 Ų120.276%0.7677%0.772SS**  -110-167.8-126.439.8-24.1000113.8
162P55.9Low36.6Very low110 Ų110120.5 Ų120.571%0.71477%0.769SS**  cis-152.9173.717.246.7-25.4000122.3
163S31.8Very low36.6Very low105 Ų105122.9 Ų122.973%0.73477%0.766SS**  trans78.5130.7134.7-80.10000126.2
164V30.6Very low36.5Very low141 Ų141118 Ų11886%0.85576%0.757SS**  trans73.3129.7138.7173.50000116.9
165A31.1Very low35.2Very low88 Ų88120.8 Ų120.873%0.72777%0.765SS**  cis-139.8-164.79.600000110.5
166V29.7Very low34.5Very low144 Ų144120.5 Ų120.587%0.87377%0.766SS**  cis-151.4-1513.1700000109.8
167A32.2Very low34.8Very low77 Ų77117.4 Ų117.464%0.63676%0.762SS**  trans-132.9-178.7176.800000110.1
168E31.8Very low35.5Very low172 Ų172114.9 Ų114.980%0.80476%0.756SS**  cis-153.2143.236.1-89.9-14573.400111.2
169S34.2Very low35Very low102 Ų102117.2 Ų117.271%0.71376%0.761SS**  73.613487.2-42.10000115.7
170G30Very low35.1Very low73 Ų73116.2 Ų116.275%0.75376%0.758SS**  trans165.7142.5169.800000115.9
171S30.7Very low35.8Very low116 Ų116116.7 Ų116.781%0.81176%0.759SS**  trans-171.4179.6176.8-79.10000108
172V33.4Very low34.2Very low122 Ų122116.4 Ų116.474%0.73976%0.76SS**  cis-151.4-162.517.1-144.20000109.4
173I30.7Very low32.9Very low147 Ų147119.7 Ų119.775%0.75477%0.766SS**  trans63.8110.8149.754.4170.2000122.3
174S29.7Very low33.5Very low98 Ų98119 Ų11969%0.68576%0.758SS**  72.4132.1113-56.60000124.3
175L30.7Very low33.5Very low163 Ų163120.6 Ų120.685%0.85375%0.754SS**  trans67161.1149.5-58.5160.6000117
176S33.3Very low33.4Very low103 Ų103121.9 Ų121.972%0.7275%0.753SS**  cis-164164.5-31.8-99.40000109.5
177A34.2Very low33.4Very low93 Ų93121.5 Ų121.577%0.76975%0.746SS**  trans-72.1172.8171.900000112.7
178P50Low33.2Very low114 Ų114124.5 Ų124.574%0.7475%0.751SS**  -157.8-174.197.440.9-21000117.8
179I30Very low33.2Very low164 Ų164122.8 Ų122.884%0.84175%0.745SS**  trans97.1138.5159.6-61.8163.8000117.7
180A30.4Very low32.9Very low81 Ų81126.8 Ų126.867%0.66975%0.75SS**  trans-123.6179.9-171.700000112
181P48.3Very low32.9Very low121 Ų121129.4 Ų129.479%0.78675%0.751SS**  -129.5-164.684.327.4-6.2000111.5
182S29.1Very low33.8Very low111 Ų111128.6 Ų128.678%0.77674%0.743SS**  cis-155.3-178.224.9-55.80000113.5
183E28.2Very low33.9Very low179 Ų179127.3 Ų127.384%0.83674%0.739SS**  trans-147179.4-179.5-123.9-154.5164.600108.7
184P44.7Very low34Very low90 Ų90125.3 Ų125.358%0.58473%0.727SS**  cis-143.1177.2-2.139-18.3000119.1
185K30.4Very low34Very low175 Ų175125 Ų12576%0.76172%0.721SS**  trans91.1115.8133.5-95.9164.1-178.9165.80125.3
186T30Very low34.2Very low114 Ų114121.7 Ų121.770%0.69971%0.707SS**  trans65.5144.8136.250.80000119.5
187N29Very low34.9Very low136 Ų136120.2 Ų120.273%0.72770%0.695SS**  cis-166177.77.9-105-8.7000109.2
188L29.3Very low34.9Very low141 Ų141122.2 Ų122.274%0.73869%0.693SS**  cis179.9164.4-34.9-164.968.9000110
189I31.1Very low34.8Very low135 Ų135122.3 Ų122.369%0.69269%0.693SS**  trans85.1122.3161.2-53.2-171.1000120.3
190K27.8Very low34.9Very low186 Ų186124.2 Ų124.281%0.80970%0.696SS**  trans62.5129.6156.7-75.2173.6-179.6179.20119.6
191V29.7Very low34.8Very low128 Ų128124.1 Ų124.178%0.77670%0.703SS**  cis71.7132.96.4141.20000116.5
192P49.6Very low34.3Very low100 Ų100125.1 Ų125.165%0.64971%0.706SS**  cis-142.6-173-13.641.2-21.7000116.4
193S36.2Very low34.9Very low94 Ų94126 Ų12666%0.65771%0.709SS**  trans69.4149.1139.5-76.10000121.5
194E32.8Very low35.1Very low105 Ų105122.4 Ų122.449%0.49170%0.704SS.*  cis179.2-157.9-5.5-178.8160.3-175.100108.9V706 N707E194-V706 WeakPolarHBondContact OE1-CG1 3.32Å; E194-N707 WeakPolarHBondContact CG-O 3.02Å
195V29Very low35.3Very low92 Ų92123.8 Ų123.856%0.55871%0.713SS**  trans102.4126.1153.6-172.30000120.7M708V195-M708 VanDerWaalsContact CA-O 3.27Å; V195-M708 WeakPolarHBondContact CA-O 3.43Å; V195-M708 VanDerWaalsContact CG2-O 3.29Å; V195-M708 WeakPolarHBondContact CG2-O 3.33Å
196V34.4Very low36.7Very low93 Ų93120.8 Ų120.856%0.56471%0.711SS**  trans-154.3129.3178.7168.80000108.7M708V196-M708 VanDerWaalsContact O-CA 3.28Å; V196-M708 WeakPolarHBondContact O-CA 2.91Å; V196-M708 VanDerWaalsContact O-CE 3.3Å; V196-M708 WeakPolarHBondContact O-CE 3.04Å; V196-M708 PolarHBondContact O-N 2.7Å
197P50Low36.4Very low72 Ų72121 Ų12147%0.46872%0.716SS.*  -160178.9106.139.6-17.3000119.7M708 P709 T710P197-M708 HydrophobicContact CB-CE 4.09Å; P197-P709 WeakPolarHBondContact CD-O 3.48Å; P197-P709 WeakPolarHBondContact CG-O 3.33Å; P197-T710 HydrophobicContact CG-CG2 4.16Å
198N33.6Very low36.5Very low136 Ų136121.8 Ų121.873%0.72772%0.719SS**  trans-87.2166.6172.3-169-1.6000112K200N198-K200 PolarHBondContact OD1-N 3.28Å; N198-K200 VanDerWaalsContact OD1-N 3.12Å
199P46.8Very low36.5Very low116 Ų116121.6 Ų121.675%0.75372%0.723SS**  -154136.496.737.6-17.9000119.3
200K32.1Very low36.5Very low204 Ų204119.4 Ų119.489%0.88772%0.72SS**  trans51.6127.5141.9-75.3-172.1172.4-176.20122.7N198N198-K200 PolarHBondContact OD1-N 3.28Å; N198-K200 VanDerWaalsContact OD1-N 3.12Å
201G30Very low36.6Very low79 Ų79117.2 Ų117.281%0.81472%0.722SS**  trans173126.115000000115.1
202T35.8Very low36.7Very low141 Ų141117.3 Ų117.387%0.86572%0.723SS**  trans-132.6163.6172.243.90000108.9
203P43Very low37.1Very low129 Ų129116.6 Ų116.684%0.83872%0.718SS**  cis-129.4-146.718.543.2-24.5000114.5
204S33.2Very low37Very low105 Ų105121.9 Ų121.973%0.73473%0.725SS**  trans-127.3-179.5-167.865.30000112.5
205P48.9Very low37Very low119 Ų119125.1 Ų125.177%0.77374%0.74SS**  cis-122-121.7-12.228.2-2.6000113.4
206P58.2Low37Very low111 Ų111126.5 Ų126.572%0.72175%0.753SS**  -129.8157.3-127.539.3-19.2000118.9
207C24.4Very low37Very low118 Ų118128.9 Ų128.980%0.79777%0.767SS**  trans-166.4123.1158.3-103.40000117.1
208I30.9Very low36.3Very low154 Ų154131.2 Ų131.279%0.7978%0.78SS**  trans45.1153132.9-31.5173.7000122.5
209V30.1Very low37.4Very low137 Ų137130.6 Ų130.683%0.8378%0.783SS**  trans98.6139.7156.5-175.60000116
210S31.1Very low36.8Very low89 Ų89132 Ų13262%0.62279%0.789SS**  cis179.4159.5-28.3-176.40000108.9
211T28.9Very low36.8Very low139 Ų139127 Ų12785%0.85379%0.786SS**  trans-171.3155.1139.313.50000114.6
212V31.6Very low36.9Very low130 Ų130128.1 Ų128.179%0.78878%0.782SS**  trans-158.6-173.5-179.7-117.30000106.8
213P57.8Low36.7Very low86 Ų86127.6 Ų127.656%0.55878%0.778SS**  cis-142.3-142.216.444.6-21.6000114.9
214Y34.3Very low36.2Very low205 Ų205130 Ų13080%0.80478%0.778SS**  trans94.4132164.2-56.6-56.6000118.4
215H33.4Very low36.2Very low173 Ų173130.8 Ų130.880%0.80178%0.783SS**  cis-161.4174.1-2.250.6-75000112.3
216C29.5Very low35.3Very low121 Ų121128 Ų12882%0.81878%0.777SS**  trans-127.4168.2-178.1-52.50000112
217V33.8Very low34Very low143 Ų143131.3 Ų131.387%0.86779%0.785SS**  trans177.7154.4143.51400000112.5
218T35.7Very low34.2Very low120 Ų120129.9 Ų129.974%0.73678%0.782SS**  trans-128.7158.6175.8-23.10000111
219P55.3Low34.1Very low123 Ų123127.5 Ų127.580%0.79978%0.778SS**  -145.9-166.7128.836.5-18.5000114.9
220V34.5Very low34.1Very low145 Ų145127.2 Ų127.288%0.87977%0.772SS**  trans-131.1141.1-152.3-173.90000114.8
221A32.8Very low34.8Very low99 Ų99128.3 Ų128.382%0.81878%0.776SS**  trans-169.3172.1164.500000111.3
222S32.4Very low34.8Very low104 Ų104128.6 Ų128.673%0.72777%0.768SS**  cis-175.5162-43.5-164.80000110.5
223V31.2Very low34.5Very low130 Ų130127.6 Ų127.679%0.78876%0.762SS**  trans68.1161.3168.7-170.20000116
224Q32.6Very low33Very low178 Ų178129.5 Ų129.583%0.83277%0.773SS**  -170.9155.9-56.2-173.4171.7-6.400110.3
225S31.9Very low33.5Very low122 Ų122125.4 Ų125.485%0.85377%0.771SS**  trans105.9145.7154.8-155.30000120.9
226G29.8Very low33.3Very low62 Ų62123.3 Ų123.364%0.63977%0.771SS**  trans87.995.6169.700000116.3
227M30.8Very low33.2Very low180 Ų180123.6 Ų123.689%0.88777%0.769SS**  68122.453-56.4-67.3100.300113.9
228A29.5Very low32.9Very low88 Ų88122.3 Ų122.373%0.72776%0.762SS**  cis-155.7-172.1-8.100000107.9
229S29.6Very low32.5Very low103 Ų103124.3 Ų124.372%0.7277%0.767SS**  cis-156.515110.1-1180000107.8
230L30.2Very low31.1Very low132 Ų132122 Ų12269%0.69176%0.758SS**  72.9133.873.2-156.176.5000114.4Q232L230-Q232 HydrophobicContact CD1-CG 3.76Å
231P45.6Very low30.8Very low111 Ų111122.2 Ų122.272%0.72175%0.753SS**  cis-114.5-174.74.911.614000114.1
232Q28.4Very low30.6Very low145 Ų145122.8 Ų122.868%0.67875%0.746SS**  cis-171.2132.4-33.2-97.3179.7-29.500105L230L230-Q232 HydrophobicContact CD1-CG 3.76Å
233T25.9Very low30.5Very low109 Ų109123 Ų12367%0.66975%0.748SS**  60.7151.772.771.30000117.5
234T26.2Very low30.3Very low127 Ų127124.4 Ų124.478%0.77975%0.75SS**  trans92.6152.5164.774.90000118.2
235P44.2Very low30.4Very low118 Ų118124.2 Ų124.277%0.76675%0.749SS**  cis-139.2171.8-42.438-23000115.2
236T29.3Very low30.1Very low130 Ų130124 Ų12480%0.79874%0.743SS**  trans-61.1136.5157-530000111.8
237T27.2Very low30Very low126 Ų126129.1 Ų129.177%0.77375%0.747SS**  trans-176.1126.8135.3-77.30000112.8
238T28.2Very low29.8Very low117 Ų117126.7 Ų126.772%0.71874%0.738SS**  trans4.4122.9150.1-44.70000120.5
239L26.5Very low29.7Very low162 Ų162128.1 Ų128.185%0.84874%0.738SS**  -171160.5112.9-101.3174.4000114.6
240A26.8Very low29.6Very low74 Ų74129.2 Ų129.261%0.61274%0.74SS**  trans-26.8158.9164.600000119.4
241I28.6Very low29.6Very low149 Ų149130 Ų13076%0.76474%0.743SS**  cis-162.2147.91.2-115.5166.2000111.6
242T27.8Very low28.7Very low112 Ų112129.7 Ų129.769%0.68774%0.744SS**  trans20.7152.3160.870.20000125
243S29.7Very low28.7Very low109 Ų109128.5 Ų128.576%0.76275%0.752SS**  trans75.5153.9143.6-770000118.5
244L27.1Very low28.8Very low159 Ų159127.8 Ų127.883%0.83276%0.757SS**  cis-159.8165.7-20.6-170.767.8000106.9
245Q35.8Very low29Very low174 Ų174128.9 Ų128.981%0.81376%0.757SS**  trans-70.1153159.4-60.6-173.18.300110.7
246V25.7Very low28.3Very low117 Ų117129 Ų12971%0.70976%0.756SS**  trans172.7123.2136.1146.70000112.2
247K27.3Very low28.3Very low169 Ų169128 Ų12874%0.73576%0.755SS**  trans21.6160136.8-29.4168.6-171.9173.10124
248D26.2Very low29.2Very low130 Ų130127.4 Ų127.470%0.69575%0.752SS**  trans77.2110.1134-78.8-44.3000123
249T27.2Very low29.1Very low117 Ų117130.5 Ų130.572%0.71876%0.759SS**  47.9109.3129.938.70000123.8
250T29Very low29.1Very low127 Ų127129.7 Ų129.778%0.77976%0.755SS**  86.3155.2129.6-39.10000120.3
251I28.3Very low29.8Very low147 Ų147132.4 Ų132.475%0.75477%0.767SS**  trans91.983.6163.3-43.2-179.9000119
252S27.1Very low29.7Very low106 Ų106128.2 Ų128.274%0.74176%0.761SS**  64.3140.9123.9-49.50000125.9
253S29.8Very low29.7Very low120 Ų120127.3 Ų127.384%0.83976%0.759SS**  trans103.6155.3136.7-68.70000122.2
254A27.6Very low29.8Very low94 Ų94126.5 Ų126.578%0.77775%0.746SS**  trans76.5139.8176.200000117.3
255L30.3Very low29.9Very low150 Ų150122.3 Ų122.379%0.78573%0.729SS**  cis-158.6150.9-6.1-112.4165.8000110.7
256T29.3Very low29.7Very low120 Ų120120.6 Ų120.674%0.73673%0.725SS**  trans49.8118.4163.247.70000120
257S28.2Very low29.8Very low110 Ų110123.1 Ų123.177%0.76973%0.726SS**  cis73143.639.4-161.70000113.7
258P46.2Very low29.8Very low112 Ų112118.6 Ų118.673%0.72773%0.728SS**  cis-109.7-169.17.739-23.7000112.9
259Q26.6Very low30.8Very low183 Ų183118.4 Ų118.486%0.85573%0.734SS**  cis-142.2176.418.6-57.8-179.64.200113.9
260N25.8Very low30.9Very low144 Ų144119.1 Ų119.177%0.7774%0.738SS**  trans-152.1168.1162.2-136.6-27.2000105.9
261P41.5Very low30.9Very low131 Ų131118.1 Ų118.185%0.85174%0.736SS**  cis-127.818044.521.83.3000113.5
262G27.4Very low31.8Very low62 Ų62117 Ų11764%0.63974%0.738SS**  cis-178.5-174.4-1.700000112
263S28.6Very low31.8Very low93 Ų93117.5 Ų117.565%0.6574%0.742SS**  trans-69.8178.2171.330.10000111.6
264L30.1Very low31.7Very low92 Ų92116.5 Ų116.548%0.48274%0.741SS.*  163.6119.890.8-83157.2000113.9A623 S624 E625L264-A623 CarbonylContact C-O 3.57Å; L264-A623 VanDerWaalsContact C-O 3.27Å; L264-A623 VanDerWaalsContact CA-O 3.27Å; L264-A623 WeakPolarHBondContact CA-O 3.44Å; L264-A623 WeakPolarHBondContact CB-O 3.42Å; L264-A623 WeakPolarHBondContact CD2-O 3.14Å; L264-A623 WeakPolarHBondContact CG-O 3.27Å; L264-S624 VanDerWaalsContact CB-CA 3.44Å; L264-E625 WeakPolarHBondContact O-CA 2.98Å; L264-E625 PolarHBondContact O-N 3.22Å
265S29.2Very low31.9Very low70 Ų70116.7 Ų116.749%0.4974%0.742SS.*  trans47.7-174.5158.7-62.70000123.3A622 A623S265-A622 WeakPolarHBondContact OG-CA 3.33Å; S265-A623 WeakPolarHBondContact CB-O 3.5Å; S265-A623 PolarHBondContact N-O 2.84Å; S265-A623 WeakPolarHBondContact OG-CA 2.95Å; S265-A623 PolarHBondContact OG-N 2.78Å; S265-A623 PolarHBondContact OG-O 2.61Å
266L31.8Very low31.8Very low138 Ų138116.8 Ų116.872%0.72374%0.743SS**  cis-144.4-153.310.8-136.5179.2000113.3
267K27.8Very low32.6Very low170 Ų170116.3 Ų116.374%0.73974%0.742SS**  trans-123.7104.2-161.1178.5-161.1172.9-167.50114.2
268G28.4Very low32.5Very low75 Ų75118.3 Ų118.377%0.77374%0.743SS**  trans68.9-17516800000115.6
269P46.7Very low31.7Very low125 Ų125117 Ų11781%0.81274%0.736SS**  cis-131.9-148.6339-18.3000113.4
270V29Very low31.8Very low133 Ų133113.9 Ų113.981%0.80673%0.73SS**  trans94.9118.1165.2-170.70000118.2
271S30.3Very low32.1Very low106 Ų106114.8 Ų114.874%0.74173%0.73SS**  trans-99163.3166.1-35.10000110.9
272P45.8Very low31.7Very low123 Ų123113.1 Ų113.180%0.79972%0.721SS**  -132152.9100.834-23.7000112
273S27.2Very low32.1Very low117 Ų117117.8 Ų117.882%0.81873%0.731SS**  cis90.6148.534.4-161.30000114
274A28.2Very low32.8Very low99 Ų99118.6 Ų118.682%0.81873%0.734SS**  trans71.7133.2-160.700000114.7
275A31.4Very low32.7Very low97 Ų97120.1 Ų120.180%0.80275%0.746SS**  cis-139.8152.1-0.300000114
276L29.3Very low32.6Very low153 Ų153122.3 Ų122.380%0.80176%0.757SS**  trans-84.2-173.9167.9-72.7167.2000109.3
277P45.7Very low32.6Very low110 Ų110121.8 Ų121.871%0.71476%0.759SS**  cis-138.1169.97.516.711.9000118.4
278L26.2Very low32.8Very low151 Ų151118.5 Ų118.579%0.79176%0.758SS**  trans17.8154.6132.8-76.865.1000120.3
279S29.3Very low33.1Very low84 Ų84120 Ų12059%0.58776%0.757SS**  cis177.5165.8-4.4166.40000109.3
280T28.9Very low32.6Very low118 Ų118122.8 Ų122.872%0.72476%0.759SS**  trans67.315615423.60000116.8
281Q32.3Very low32.8Very low164 Ų164125.1 Ų125.177%0.76676%0.758SS**  cis-151.6164.2-6.6-153.5168.738.700109.4
282S31.6Very low32.8Very low95 Ų95125.4 Ų125.466%0.66476%0.755SS**  trans34129.5148.658.80000122.7
283L36.3Very low32.2Very low161 Ų161125.8 Ų125.884%0.84376%0.755SS**  trans-31.2151.7142-67169.7000113.1
284P43.3Very low32.4Very low110 Ų110123 Ų12371%0.71475%0.745SS**  -160.3-176.655.642.7-19.8000119.8
285V27.5Very low33.4Very low123 Ų123123.5 Ų123.575%0.74574%0.74SS**  trans77.1106.9137.5152.60000121.7
286V28.3Very low33.3Very low117 Ų117126.2 Ų126.271%0.70974%0.741SS**  81149.8123.4175.90000122.2
287T31.1Very low33.3Very low126 Ų126125 Ų12577%0.77374%0.74SS**  trans77.8103.116036.60000122.6
288S32.7Very low34.1Very low101 Ų101125 Ų12571%0.70674%0.74SS**  91.1138.1101.3-160.30000123
289S34Very low35.3Very low108 Ų108123 Ų12376%0.75574%0.736SS**  trans96.2146140.3-75.60000123.5
290Q35.9Very low35.2Very low182 Ų182125.1 Ų125.185%0.8574%0.741SS**  trans87.3109.3163-123.8168.1118.900117
291K34Very low35.3Very low182 Ų182128.4 Ų128.479%0.79175%0.745SS**  cis101.414316.1-164.3-164.7169.8-174.80114.4
292T30.7Very low36.3Very low112 Ų112125.4 Ų125.469%0.68774%0.74SS**  trans80.6145.6164.62.10000113.7
293V31.9Very low36.2Very low132 Ų132127.9 Ų127.980%0.874%0.744SS**  cis-141.2143.717.4-176.10000112.4
294G31.2Very low35.9Very low58 Ų58129.8 Ų129.860%0.59874%0.742SS**  trans-122.7178.9149.200000108.4
295P50.3Low35.5Very low110 Ų110131.4 Ų131.471%0.71474%0.744SS**  -167.8-17680.546.2-25000119.5
296N28.4Very low35.6Very low153 Ų153129 Ų12982%0.81874%0.744SS**  trans78.1151.9140.5-69.7-11.5000124.6
297T30Very low35.8Very low128 Ų128127.6 Ų127.679%0.78574%0.74SS**  trans-149-169.3-172.9-38.70000107.8
298P61.3Low35.7Very low111 Ų111129.5 Ų129.572%0.72174%0.739SS**  -84.2-156.3-91.640.9-25.4000113.3
299P52.2Low35.6Very low109 Ų109132.7 Ų132.771%0.70875%0.748SS**  -150.7163.470.639.5-17.6000119.5
300D27.7Very low35.7Very low127 Ų127131.8 Ų131.868%0.67975%0.746SS**  trans57.7113.8139.3-59.8-13.8000126.7
301F30.7Very low36Very low187 Ų187128.5 Ų128.582%0.8274%0.741SS**  57.9167.8120.7-69-56.7000123.7
302P53.6Low35.7Very low102 Ų102127 Ų12766%0.66274%0.741SS**  cis-143.2-167.2-38.240.6-21.8000116.1
303I29.4Very low35.5Very low146 Ų146130.8 Ų130.875%0.74974%0.744SS**  trans96.5125.7149.6-74.3168.2000122.5
304Y29.1Very low35.4Very low201 Ų201132.8 Ų132.879%0.78874%0.744SS**  trans42.9135.2152.5-81.3-129.1000121.7
305L35Very low35.2Very low144 Ų144134.4 Ų134.475%0.75475%0.747SS**  cis88.9119.140.5-160.292.4000113.6
306G29.1Very low34.6Very low74 Ų74134.3 Ų134.376%0.76375%0.748SS**  trans-161.139-166.700000119.4
307S33Very low34.6Very low87 Ų87136.5 Ų136.561%0.60875%0.751SS**  trans42.2148.8141-44.30000126.6
308H29.8Very low34.6Very low166 Ų166134 Ų13477%0.76975%0.751SS**  trans95.199.1144.8-60.3-51.5000123.6
309L31.3Very low33.4Very low168 Ų168133.8 Ų133.888%0.8875%0.752SS**  55.5144119.1-71.5165.6000123.5
310A35Very low32.2Very low88 Ų88135.5 Ų135.573%0.72776%0.76SS**  trans-85.1175.6179.800000113.9
311P42.6Very low32.4Very low114 Ų114137.3 Ų137.374%0.7477%0.765SS**  -159.6-169.187.944.7-24.6000117.7
312L27.8Very low33.6Very low150 Ų150133.3 Ų133.379%0.78576%0.757SS**  trans77.2109.5152.6-69174.3000123.6
313Y26.2Very low32.4Very low191 Ų191136 Ų13675%0.74977%0.765SS**  57.6129.7111.9-103.2-117.2000124.3
314Q29.8Very low32.3Very low174 Ų174132.2 Ų132.281%0.81376%0.762SS**  trans65.7157.4152.5-75.5178.93.200118
315S27.6Very low32.6Very low93 Ų93130.6 Ų130.665%0.6576%0.762SS**  cis-139.817713.661.80000113.4
316S37.5Very low32.5Very low107 Ų107129.9 Ų129.975%0.74876%0.764SS**  trans-108.5146.1173.7173.10000110.7
317F28.3Very low32.8Very low199 Ų199131.1 Ų131.187%0.87376%0.761SS**  trans-144140.7162-79-73.2000111.9
318G29Very low33.6Very low76 Ų76132.3 Ų132.378%0.78477%0.767SS**  trans-168.1153.2168.300000110
319S36.7Very low33.6Very low106 Ų106129.6 Ų129.674%0.74177%0.766SS**  trans-177.4139.3169.9-176.80000109.9
320V27Very low33.6Very low146 Ų146125.9 Ų125.989%0.88576%0.76SS**  -149.3158114.2178.70000107.1
321Q32.4Very low33.4Very low165 Ų165129.1 Ų129.177%0.77176%0.764SS**  trans-138-160.1-165.3-128.5-163.2-3.400108.4
322P55.3Low32.8Very low102 Ų102129.5 Ų129.566%0.66276%0.764SS**  cis-137.1-168-7.535.6-13000116
323L27.8Very low32.8Very low158 Ų158129.1 Ų129.183%0.82776%0.763SS**  trans83.9127148.5-156.271.7000117.4Q325L323-Q325 HydrophobicContact CD1-CG 4.19Å
324G28.9Very low33.8Very low67 Ų67124.4 Ų124.469%0.69176%0.756SS**  cis154.7161.8-3.300000110.8
325Q35.5Very low33.8Very low167 Ų167121.6 Ų121.678%0.7875%0.751SS**  cis-136.7-139.9-0.3-60.8-174.372.300108.9L323L323-Q325 HydrophobicContact CD1-CG 4.19Å
326T31.7Very low34Very low129 Ų129124 Ų12479%0.79176%0.761SS**  cis-158.5-158.412.1-22.90000111.9
327S35.6Very low33.7Very low100 Ų100127.1 Ų127.170%0.69976%0.761SS**  trans-109179.2-167.2600000115
328P50.1Low33.6Very low113 Ų113123 Ų12373%0.73475%0.753SS**  cis-135-172.2-234.5-12.7000116.1
329S30.5Very low33.8Very low108 Ų108126 Ų12676%0.75575%0.749SS**  trans96.185.1148.8-57.70000121.8
330A31Very low33.4Very low90 Ų90125.9 Ų125.974%0.74475%0.748SS**  76.6131.1115.900000123.9
331L30.9Very low33.6Very low156 Ų156124.7 Ų124.782%0.81774%0.736SS**  trans89.4138.5140.9-108.577.2000123
332T29.4Very low33.5Very low122 Ų122123.6 Ų123.675%0.74874%0.735SS**  trans67.298.2149.344.40000122.7
333D27.2Very low32.5Very low143 Ų143126.5 Ų126.577%0.76574%0.74SS**  -61.5157.2117-163.449.5000108.8
334P47.2Very low32.6Very low92 Ų92124.1 Ų124.160%0.59774%0.736SS**  cis-143.3-177.621.846.9-29000117.7
335T29.7Very low32.8Very low114 Ų114126 Ų12670%0.69974%0.739SS**  trans11.2111.9135.3-54.70000117.7
336V31.6Very low32.7Very low143 Ų143124.4 Ų124.487%0.86774%0.741SS**  trans-129.1113.7140.3-177.80000109.5
337K32.2Very low32.7Very low174 Ų174121.8 Ų121.876%0.75774%0.739SS**  trans-104.7159.6170.8-175.7-179.3-174.1176.80107
338T27Very low32.5Very low113 Ų113124.5 Ų124.569%0.69375%0.746SS**  trans61.2175.7173.331.40000113.4
339I31.6Very low31.5Very low137 Ų137124.8 Ų124.870%0.70375%0.751SS**  cis-146.1150.7-0.2-3.6-160.8000108.5
340S29.5Very low31.4Very low104 Ų104130 Ų13073%0.72776%0.755SS**  trans-172.7133.4140.9-101.80000108.5
341I30.7Very low32.6Very low121 Ų121131 Ų13162%0.62175%0.754SS**  cis68.4111.149.8-54.7163.6000107.8
342D30.9Very low32.5Very low143 Ų143128.4 Ų128.477%0.76575%0.749SS**  -150.2171.866.8-136.8-29.1000117.2
343H33.2Very low32.8Very low162 Ų162131.8 Ų131.875%0.7576%0.756SS**  trans-88.9168.8162.6-56.2-94000107.9
344S29.6Very low32.7Very low109 Ų109136.8 Ų136.876%0.76277%0.765SS**  cis-168.2172.8-4330000110.1
345S33.6Very low31.9Very low105 Ų105136.9 Ų136.973%0.73477%0.767SS**  trans90.9137.1143.7-158.30000121.3
346T33.6Very low32.1Very low135 Ų135137.1 Ų137.183%0.82877%0.768SS**  trans86.4128.2152.4-17.90000118.2
347G32Very low32.8Very low73 Ų73137.3 Ų137.375%0.75376%0.763SS**  trans140.665.716900000115.9
348D30.1Very low34.4Very low158 Ų158134.6 Ų134.685%0.84576%0.763SS**  trans-42.1140.2-177.1-49.2-83.7000118.1
349S29.8Very low35.4Very low119 Ų119135 Ų13583%0.83277%0.767SS**  -179.6170.1109.2-157.10000114.8
350Y28.9Very low35.4Very low217 Ų217136 Ų13685%0.85177%0.773SS**  trans-87.2177.1-179.6-91.4-126.4000112.7
351P55.9Low36.2Very low112 Ų112136 Ų13673%0.72777%0.771SS**  cis-144.5-170.6-32.639.1-19.9000115.2
352S29Very low36.1Very low101 Ų101135.4 Ų135.471%0.70678%0.777SS**  trans-44.3154.7154.7-49.80000117.3
353Q34.9Very low36.2Very low193 Ų193138.8 Ų138.890%0.90278%0.78SS**  trans29.9127.8140.8-60.4-160.844.200120.9
354R25.5Very low36.1Very low248 Ų248137.1 Ų137.194%0.93678%0.776SS**  trans-150141.3135-137.5178.1-176.6154.72.4114.5
355S30.9Very low36.1Very low94 Ų94140.4 Ų140.466%0.65778%0.78SS**  trans-89.1172.1164.8-177.10000110.6
356V32.8Very low35.9Very low118 Ų118141.9 Ų141.972%0.71578%0.784SS**  trans74.6107.8171.9-162.20000112.8
357I48Very low35.8Very low147 Ų147141.2 Ų141.275%0.75478%0.779SS**  68.8144.663.2-58.5162.3000111.1
358P65.3Low36.3Very low117 Ų117143.3 Ų143.376%0.7678%0.779SS**  cis-114.5-158.3-4.930.5-6.7000110.9
359P47.2Very low36.5Very low121 Ų121139.3 Ų139.379%0.78677%0.768SS**  cis-139.2178.34.845.1-26000119
360L32.7Very low36.4Very low158 Ų158140 Ų14083%0.82777%0.768SS**  trans-70.3176.4160-70.1169.3000111
361P45.4Very low36.3Very low106 Ų106135.3 Ų135.369%0.68876%0.762SS**  cis-148.3167.420.343.3-23.5000120.2
362S29.7Very low35Very low107 Ų107134.2 Ų134.275%0.74876%0.762SS**  trans69.9160.8149.780.30000117.8
363R31.1Very low35.2Very low214 Ų214132.8 Ų132.881%0.80876%0.756SS**  cis-156.3152.310.4-155.6-172.6152.3161.1-4.1110.9
364N32.2Very low35.5Very low127 Ų127131.5 Ų131.568%0.67975%0.748SS**  trans68.9136.5178-46.7-5.9000113.8
365E29.1Very low35.9Very low179 Ų179125.9 Ų125.984%0.83674%0.744SS**  cis-146.4-161-8.1-142.6166.8128.400111.5
366V29.8Very low35.8Very low135 Ų135126.8 Ų126.882%0.81875%0.745SS**  trans-88.1152.4-155.6172.50000116.3
367V32.1Very low36Very low122 Ų122127.3 Ų127.374%0.73975%0.748SS**  trans-81.5139.5-176.61710000113.7A369V367-A369 HydrophobicContact CG1-CB 4.03Å
368P42.7Very low35.8Very low116 Ų116124.3 Ų124.375%0.75375%0.746SS**  -137.8152.1117.838.6-27000112.1
369A33.4Very low34.2Very low74 Ų74124.3 Ų124.361%0.61275%0.745SS**  cis78.6151.518.300000116.8V367V367-A369 HydrophobicContact CG1-CB 4.03Å
370T28.5Very low33.1Very low134 Ų134124.5 Ų124.582%0.82275%0.75SS**  trans73.1160.2152.4-57.80000117.5
371V25.7Very low33Very low119 Ų119123.1 Ų123.172%0.72175%0.748SS**  -167.7156.3-51.486.20000109.3
372A29Very low32.1Very low89 Ų89123.5 Ų123.574%0.73674%0.744SS**  trans53-160.3157.100000119.5
373A33.6Very low32.4Very low71 Ų71126.1 Ų126.159%0.58774%0.742SS**  trans-66-179.4169.200000110.5
374F40.7Very low32.5Very low165 Ų165118.8 Ų118.872%0.72473%0.733SS**  -17116653.9-68.3-91.7000109.9V376F374-V376 HydrophobicContact CB-CB 4.34Å
375P33.7Very low33.3Very low131 Ų131118.8 Ų118.885%0.85174%0.74SS**  trans-104.654.9161.137.8-30.3000112.1
376V29.6Very low33.3Very low113 Ų113115.1 Ų115.169%0.68573%0.734SS**  trans-147.2124-174.9173.40000107.3F374F374-V376 HydrophobicContact CB-CB 4.34Å
377V35.9Very low33.3Very low128 Ų128114.3 Ų114.378%0.77673%0.729SS**  cis-158.3156.60.779.30000112
378A43.6Very low33.1Very low85 Ų85115.6 Ų115.670%0.70273%0.731SS**  trans64.8170.1157.100000118.1
379P32.8Very low32.3Very low116 Ų116114.6 Ų114.675%0.75372%0.723SS**  cis-119.8143.8-6.237.3-23.1000115
380S24.7Very low32Very low126 Ų126116.4 Ų116.488%0.88173%0.731SS**  trans-126.496.4146.2-169.90000108.3
381V30.1Very low31.9Very low129 Ų129116.4 Ų116.478%0.78272%0.724SS**  trans-93.3112.8158.9171.70000105.8
382D26.8Very low31.9Very low114 Ų114116.8 Ų116.861%0.6173%0.727SS**  -159.4142.2124.3-128-156.6000114.4
383K35.6Very low31.8Very low161 Ų161123.3 Ų123.370%0.773%0.734SS**  trans26.7112.4166.5-74.571.8165.5-172.20118.6
384G32.9Very low31.7Very low61 Ų61124.4 Ų124.463%0.62974%0.737SS**  -72173.1129.800000111.1
385P48.5Very low32.1Very low127 Ų127121.9 Ų121.983%0.82574%0.737SS**  -117.7132.1114.4-5.625.1000110.5
386S29.6Very low32Very low102 Ų102121.4 Ų121.471%0.71374%0.737SS**  93.3123.153.9-70.20000112.9
387T29.9Very low32Very low117 Ų117119.2 Ų119.272%0.71874%0.738SS**  78103.6125.8-59.30000118.8
388I27.3Very low31.8Very low150 Ų150118.8 Ų118.877%0.76974%0.741SS**  111142.4118.4-124.8175.1000121.4
389T26.9Very low31.2Very low95 Ų95121.3 Ų121.358%0.58374%0.741SS**  trans70.2111147.5-61.80000121.8I391T389-I391 HydrophobicContact CG2-CB 4.36Å; T389-I391 HydrophobicContact CG2-CD1 3.51Å; T389-I391 HydrophobicContact CG2-CG1 3.84Å
390S26.7Very low31.3Very low112 Ų112122.2 Ų122.278%0.78374%0.74SS**  -158.6129.2114.943.90000107.2
391I26.6Very low31.6Very low134 Ų134122 Ų12269%0.68773%0.733SS**  cis65.8100.541.3-57.1-178.4000112.4T389 Y393T389-I391 HydrophobicContact CG2-CB 4.36Å; T389-I391 HydrophobicContact CG2-CD1 3.51Å; T389-I391 HydrophobicContact CG2-CG1 3.84Å; I391-Y393 PolarHBondContact O-N 3.18Å
392T25.9Very low31.6Very low126 Ų126120.5 Ų120.577%0.77374%0.735SS**  trans-61.6123.1164-53.90000110.7
393Y26.5Very low31.8Very low227 Ų227120.9 Ų120.989%0.8974%0.741SS**  trans-150.6105.3150.9-111.9-80.5000111.2I391I391-Y393 PolarHBondContact O-N 3.18Å
394S31.5Very low31.6Very low93 Ų93117.9 Ų117.965%0.6574%0.74SS**  trans-72.4172.6154.3-51.60000108.9
395P49.6Very low31.9Very low112 Ų112120.5 Ų120.573%0.72775%0.749SS**  cis-146.7-174.119.144.6-24.9000117.2
396S30.4Very low31.4Very low121 Ų121118.8 Ų118.885%0.84674%0.74SS**  trans67.5130152.8-60.10000119.4
397G29.5Very low31.5Very low68 Ų68121.4 Ų121.470%0.70175%0.745SS**  cis167.2-179.6-6.500000114.4
398S32Very low31.7Very low119 Ų119120.4 Ų120.483%0.83274%0.743SS**  trans79142.7174.8-58.10000116.5
399L32.3Very low32.7Very low137 Ų137118.5 Ų118.572%0.71774%0.741SS**  cis-152.5126.82.4-152.1105.3000112.3
400N33.5Very low32.8Very low136 Ų136119.5 Ų119.573%0.72775%0.746SS**  trans56.1153.3146.7-63.52.4000122.1
401V31.5Very low33Very low120 Ų120120.1 Ų120.173%0.72775%0.746SS**  cis-157.9142.8-16.6126.20000108.8
402A30.2Very low33.2Very low99 Ų99118.3 Ų118.382%0.81875%0.745SS**  trans-157.3120.516000000111
403T30.2Very low33.4Very low122 Ų122119.4 Ų119.475%0.74875%0.745SS**  trans-140.7159.7176.254.60000107.8
404S33.2Very low33.7Very low97 Ų97115.1 Ų115.168%0.67874%0.736SS**  cis-156.5150.822.7-18.80000108.3
405S38.9Very low33.9Very low117 Ų117118.2 Ų118.282%0.81875%0.745SS**  67.4143.776.7-460000114.4
406S37.8Very low33Very low91 Ų91122.9 Ų122.964%0.63675%0.754SS**  cis-172.8163.8-5.8170.60000110.1
407L32.3Very low32.8Very low157 Ų157122.4 Ų122.482%0.82275%0.75SS**  158.9103.2128.3-81.1165.1000109.7
408S33.7Very low33.2Very low96 Ų96124.4 Ų124.467%0.67175%0.754SS**  82.2151.576-68.80000114
409P47.2Very low34.5Very low110 Ų110124.1 Ų124.171%0.71475%0.749SS**  cis-141.5179.41136.6-14000118.9
410T29.6Very low34.4Very low115 Ų115124.6 Ų124.671%0.70675%0.752SS**  trans74120.2141.939.70000126.3
411T30.8Very low34.5Very low125 Ų125121.8 Ų121.877%0.76775%0.748SS**  trans68171.2132.854.40000123.2
412S30.3Very low34.6Very low96 Ų96121 Ų12167%0.67174%0.743SS**  cis172.1139.4-47.5-89.70000113.5
413L31.2Very low34.8Very low149 Ų149123.9 Ų123.978%0.7874%0.74SS**  trans65.5132139.5-61.8171.3000125.1
414I31.7Very low34.9Very low137 Ų137126 Ų12670%0.70374%0.741SS**  84110.1128.6-68.4172.8000124.3
415L35.6Very low34.6Very low159 Ų159131.4 Ų131.483%0.83275%0.748SS**  trans33.9121.2132.2-56.4169.7000125.4
416K30.5Very low35.6Very low209 Ų209130.5 Ų130.591%0.90974%0.739SS**  -178.5155.5124.7-101.7176.2178.3176.70108.6
417S28Very low35.2Very low111 Ų111133.9 Ų133.978%0.77675%0.749SS**  cis-157.6167.5-5.647.80000111.3
418S36.6Very low35Very low111 Ų111132.2 Ų132.278%0.77675%0.745SS**  trans-71-178.4172.6-136.10000112.8
419P58.9Low34.9Very low112 Ų112131.7 Ų131.773%0.72775%0.746SS**  cis-143.6174.72.738.7-17.4000119
420N30.3Very low33.9Very low148 Ų148135.1 Ų135.179%0.79175%0.753SS**  128.8114.3117.3-153.541.7000120.3
421A35.3Very low33.7Very low77 Ų77137.6 Ų137.664%0.63676%0.759SS**  trans63.3162.6139.100000124.7
422T34.2Very low34.4Very low102 Ų102136.1 Ų136.163%0.62675%0.751SS**  cis-169.5164.9-44.5-52.40000107.9
423H35.3Very low34.3Very low160 Ų160138.1 Ų138.174%0.74176%0.759SS**  trans81.9150.6158.3-61.2-64.1000120
424H31.1Very low34.2Very low166 Ų166136.8 Ų136.877%0.76976%0.762SS**  cis-168.3170.9-38.8-126.6-111.4000110
425Y27.9Very low34.2Very low212 Ų212134.8 Ų134.883%0.83176%0.761SS**  trans-60.2-179.1171.9-97-128000115
426P60.4Low34Very low98 Ų98134.2 Ų134.264%0.63676%0.763SS**  cis-151.5-173.5-41.944.2-24.6000117.5
427L28Very low34Very low162 Ų162127.3 Ų127.385%0.84875%0.752SS**  trans82.5155.7136.4-142.474.4000124.6
428V29.4Very low34.1Very low121 Ų121128.1 Ų128.173%0.73375%0.752SS**  trans84.289.8157-160.50000123.1
429A30.3Very low34Very low85 Ų85128.9 Ų128.970%0.70275%0.752SS**  49.7149113.700000127.5
430Q27.6Very low33.4Very low182 Ų182128.9 Ų128.985%0.8575%0.752SS**  trans82.2111.1146.6-76.7173.916.700124.1
431M23.6Very low33.5Very low167 Ų167130 Ų13082%0.82376%0.757SS**  56.9161.1120.8-64.7-92.585.500122.1
432P47Very low33.2Very low95 Ų95132.9 Ų132.962%0.61777%0.767SS**  cis-141.8177.7-29.435.4-14.3000117
433V26.9Very low33.2Very low137 Ų137134.1 Ų134.183%0.8377%0.774SS**  trans61.1130.6154.5-680000125.9
434S29.5Very low32.9Very low122 Ų122132.2 Ų132.285%0.85377%0.774SS**  trans70.5142.7145.2-1310000119.9
435S31.2Very low32.7Very low95 Ų95132.4 Ų132.466%0.66478%0.78SS**  cis-163.7170.52272.60000114.3
436V31.4Very low34.2Very low146 Ų146127.7 Ų127.789%0.88578%0.775SS**  trans68.6144.5160177.40000118.3
437G30.3Very low32.6Very low65 Ų65129.2 Ų129.267%0.6779%0.787SS**  trans179-47.3168.200000122.1
438T31.1Very low33.1Very low128 Ų128127.7 Ų127.779%0.78579%0.785SS**  trans47.789.9173.1-49.30000119.3
439T34.5Very low33Very low127 Ų127129.4 Ų129.478%0.77979%0.788SS**  trans37.5155.1133.561.10000123.5
440P45.4Very low32.8Very low112 Ų112132.5 Ų132.573%0.72779%0.793SS**  cis-134.6168.710.236.8-17.2000117.8
441L33.5Very low32.8Very low171 Ų171127.8 Ų127.890%0.89579%0.785SS**  trans44.598.9161.4-87.981.8000120
442V28.2Very low32.9Very low138 Ų138124.5 Ų124.584%0.83678%0.784SS**  trans-134.6150.6150.2169.50000108.9
443V34.6Very low32Very low128 Ų128124.3 Ų124.378%0.77679%0.791SS**  trans-23.7136.4168.4177.20000116.2
444T29Very low32Very low120 Ų120124.8 Ų124.874%0.73679%0.794SS**  trans-170.5141.7133.512.10000114.4
445N27.8Very low31.9Very low170 Ų170124.9 Ų124.991%0.90979%0.79SS**  trans-163.698.1144.7-109.3-29.2000109
446P58.4Low31.7Very low112 Ų112129.6 Ų129.673%0.72780%0.799SS**  trans-145.5135.6145.736.3-21.1000114.5
447C27.8Very low31.8Very low131 Ų131131 Ų13189%0.88580%0.796SS**  trans-165.2169.7137.5-149.30000111.1
448T37.3Very low31.6Very low129 Ų129134.4 Ų134.479%0.79180%0.803SS**  trans-136.9135.4-170.9-56.80000111.9
449I28.3Very low31.7Very low158 Ų158132 Ų13281%0.8180%0.797SS**  trans-163.7150.2162.817.7172.5000107.4
450D26.1Very low31.4Very low149 Ų149132.8 Ų132.880%0.79780%0.801SS**  cis-157.7177.6-5.4-152.3-19.6000109.9
451A27.2Very low30.6Very low84 Ų84132.9 Ų132.969%0.69480%0.804SS**  trans70.9124.6146.500000122.5
452A26.3Very low30.5Very low97 Ų97131.4 Ų131.480%0.80280%0.801SS**  trans-42.2162.9151.900000116.4
453A26.6Very low30.6Very low91 Ų91130.1 Ų130.175%0.75280%0.798SS**  cis-173.5154-14.800000111.2
454T26.5Very low31Very low148 Ų148129.8 Ų129.891%0.90880%0.799SS**  trans-149.4157.2151.7-15.50000111
455T28.3Very low31.4Very low124 Ų124129.7 Ų129.776%0.76180%0.8SS**  trans-102.7152.9-179.5-53.80000110.3
456F28.1Very low31.5Very low193 Ų193129.8 Ų129.885%0.84680%0.799SS**  trans9.5132164.2-80.7-115.4000118
457E33Very low30.2Very low176 Ų176129.2 Ų129.282%0.82280%0.797SS**  cis-126179.730.7-50.8-172.3100.400112.1
458V26.3Very low30.6Very low136 Ų136128.8 Ų128.882%0.82480%0.796SS**  -163.3156.464.3159.70000109.7
459A32Very low30.2Very low79 Ų79126.2 Ų126.265%0.65380%0.795SS**  trans-95.9150.3172.200000113.5
460T29.3Very low30.9Very low142 Ų142124.3 Ų124.387%0.87179%0.793SS**  trans84.9158.8169.6-24.50000116
461C28.7Very low31.2Very low115 Ų115125.1 Ų125.178%0.77780%0.796SS**  trans-129.2-175-146.8-49.40000114.9
462V31.5Very low31.5Very low140 Ų140126 Ų12685%0.84880%0.797SS**  trans99.7137.8161-170.70000117.4
463S28.9Very low31.7Very low110 Ų110128.1 Ų128.177%0.76980%0.795SS**  trans-168.3171.4-177.7-70.60000107.8
464P43.3Very low31.9Very low121 Ų121131.1 Ų131.179%0.78680%0.796SS**  cis-131.5-175.6-31.837.9-20.2000113.2
465P36.8Very low32.2Very low119 Ų119132.6 Ų132.677%0.77379%0.793SS**  trans-115.9159.9175.939.7-31.1000116.4
466I30.5Very low33.2Very low172 Ų172131.8 Ų131.888%0.88279%0.79SS**  trans-160.8168.2173.348.9170.2000111.7
467S30.9Very low33.1Very low99 Ų99128.6 Ų128.669%0.69279%0.786SS**  cis-173.2133.6-39.7-171.90000112.7
468S36.8Very low33.1Very low122 Ų122125.4 Ų125.485%0.85378%0.783SS**  trans45.4131.5145.7-44.70000124.6
469G28.4Very low34.3Very low75 Ų75124.5 Ų124.577%0.77378%0.781SS**  trans172.4138.9158.400000115.9
470P43.5Very low34.1Very low119 Ų119125.2 Ų125.277%0.77379%0.786SS**  trans-137.8-179.5-16041.2-21.8000120.2
471I33.3Very low34Very low166 Ų166122.6 Ų122.685%0.85178%0.779SS**  trans64.8147.3165.624.5178.9000119.2
472S33.5Very low34Very low103 Ų103124.6 Ų124.672%0.7278%0.781SS**  cis-153.6-163.66.248.20000109.6
473N29.6Very low33.8Very low141 Ų141123.4 Ų123.475%0.75477%0.774SS**  cis-168.7179.414.3-154.1-5.9000113.1
474I30.5Very low33.8Very low153 Ų153126.6 Ų126.679%0.78578%0.779SS**  trans82.9120.1159.7-61.8165.2000119.8
475E32.3Very low33.1Very low180 Ų180125 Ų12584%0.84178%0.775SS**  trans-143.9140.4169.1156.4177.7-17700108.1
476P49.9Very low33.6Very low106 Ų106124.8 Ų124.869%0.68877%0.774SS**  -158.2150.9127.238.8-19.9000118.7
477T27Very low33.5Very low127 Ų127123.1 Ų123.178%0.77977%0.772SS**  trans124.7128.2133.9-440000118.6
478S32.4Very low33.4Very low108 Ų108122.3 Ų122.376%0.75577%0.771SS**  trans-100.1-144.8-179.1-300000111
479P51.8Low33.9Very low118 Ų118121.8 Ų121.877%0.76677%0.765SS**  cis-139.7-176.31.244.4-25.5000117.5
480A27.3Very low33.9Very low94 Ų94127.8 Ų127.878%0.77777%0.77SS**  trans79.6152144.400000121.1
481A27.5Very low33.1Very low86 Ų86130.7 Ų130.771%0.71177%0.773SS**  cis-171.8174.7-25.400000111.7
482L28.9Very low33.9Very low157 Ų157128 Ų12882%0.82277%0.766SS**  trans91.9115.5152.8-55-175.4000122
483V27.6Very low33.5Very low115 Ų115127.9 Ų127.970%0.69777%0.765SS**  76.498.1121.4179.90000120.9
484M28.9Very low33.6Very low177 Ų177126.1 Ų126.187%0.87276%0.76SS**  66.2144.3126.6-56.7-168.776.200123.5
485A28.4Very low33.6Very low87 Ų87127.2 Ų127.272%0.71976%0.762SS**  trans-83.6-169.216700000110.5
486P45.8Very low33.4Very low115 Ų115125 Ų12575%0.74776%0.76SS**  cis-143.1-155.61133.6-6.9000115.6
487V28.2Very low32.4Very low138 Ų138124.3 Ų124.384%0.83676%0.763SS**  trans97143.9160.9-173.80000117.7
488A29.8Very low32.4Very low82 Ų82124.9 Ų124.968%0.67877%0.767SS**  trans-138.4-163.7176.100000107.7
489P47.9Very low32.3Very low110 Ų110126 Ų12671%0.71477%0.769SS**  cis-134.9-168.5-13.230.9-6.9000114
490K28.5Very low31.4Very low202 Ų202127.8 Ų127.888%0.87877%0.771SS**  trans117.2146.4149.7-64.6-172.9175.4-177.50120.8
491E26.5Very low31.4Very low180 Ų180133.7 Ų133.784%0.84177%0.774SS**  trans-65.7-175.5170.2-88.7-176.793.200116.8
492P49Very low31.4Very low108 Ų108135.3 Ų135.370%0.70178%0.775SS**  cis-137.6-167.7-30.335.5-16000113.3
493S26.9Very low32.4Very low101 Ų101133.2 Ų133.271%0.70677%0.771SS**  trans148.5110131.4-176.10000120
494T30.5Very low32.3Very low105 Ų105134.1 Ų134.164%0.64478%0.776SS**  62.1124.3116.5-360000126.3
495Q31Very low32.5Very low176 Ų176130.7 Ų130.782%0.82277%0.769SS**  trans64.2170.7152.8-69.4174.764.300118.9
496V26.7Very low33.9Very low133 Ų133132.4 Ų132.481%0.80677%0.773SS**  cis-142.3171.818.3-1760000111
497A30Very low33.6Very low92 Ų92132.6 Ų132.676%0.7677%0.774SS**  trans-126.9157.5177.300000114.8
498T26.1Very low33.8Very low139 Ų139132.7 Ų132.785%0.85377%0.77SS**  trans-148.5156.2174.2-58.10000112.2
499T30.8Very low34.1Very low130 Ų130134.4 Ų134.480%0.79877%0.774SS**  trans-155.6137.8174.6-74.50000110.7
500L32.6Very low33.2Very low156 Ų156135.4 Ų135.482%0.81777%0.773SS**  trans-177.5125153.1-102.7162.6000114.3
501R27Very low34.4Very low219 Ų219131 Ų13183%0.82677%0.765SS**  trans12149.7136.2-83-177.4177.9169.1-0.5120.7
502T27.8Very low34.4Very low120 Ų120130.8 Ų130.874%0.73676%0.764SS**  cis-179.6-172.8-5.613.70000107.5
503P50.5Low33.7Very low113 Ų113132 Ų13273%0.73477%0.765SS**  cis-129.3-150.6-34.437-16.5000111.8
504V26.2Very low33.7Very low133 Ų133133.1 Ų133.181%0.80676%0.762SS**  trans113.9145.5163.2-178.70000116.2
505S31.6Very low33.6Very low105 Ų105135.7 Ų135.773%0.73477%0.765SS**  trans-154.8170.9179.4-47.30000107.9
506P58Low33.5Very low123 Ų123133.8 Ų133.880%0.79976%0.76SS**  cis-107.7-140.4-3.136.3-15.8000108.8
507P40.9Very low33.6Very low119 Ų119134.9 Ų134.977%0.77376%0.76SS**  cis-135.3-159.8-4.745.2-25.1000115.8
508L32.6Very low34Very low141 Ų141136 Ų13674%0.73876%0.76SS**  trans-111.3159.2167.7-98.8163.9000109.2
509P35.7Very low34.3Very low117 Ų117134.2 Ų134.276%0.7675%0.753SS**  -149.5179.879.639.7-19.3000117.6
510D29.3Very low34.5Very low132 Ų132133.7 Ų133.771%0.70676%0.755SS**  trans-85.3-163-178-34.2-102.2000113
511P53Low34.4Very low110 Ų110132.2 Ų132.271%0.71475%0.752SS**  cis-136.9-145.1-9.537.3-13.3000114.2
512E26.7Very low34.4Very low174 Ų174130.1 Ų130.181%0.81376%0.756SS**  trans72.192.7175.6-50.6-73.299.100115.8
513D33Very low34.4Very low133 Ų133129.5 Ų129.571%0.71175%0.752SS**  86.5118.665.2-169.940.6000116.4
514L28.4Very low33.2Very low126 Ų126133.5 Ų133.566%0.6676%0.758SS**  174134.3124.5-92.1177.1000113.9
515K27.8Very low33.2Very low159 Ų159135.7 Ų135.769%0.69176%0.757SS**  trans80.3103.5148.7-66.6159.7-175.3167.30121.8
516N28.7Very low33.5Very low136 Ų136136.2 Ų136.273%0.72776%0.758SS**  85.2107125.8-73.3-44.8000123.2
517L29.1Very low32.1Very low155 Ų155137.1 Ų137.181%0.81276%0.761SS**  trans70.2123.5138.6-53.8-179.4000119.6
518P38.5Very low31.8Very low115 Ų115140.2 Ų140.275%0.74777%0.765SS**  -142.4160.9112.240.1-29.4000116.1
519S32.1Very low31.6Very low103 Ų103143 Ų14372%0.7277%0.772SS**  trans52.2136.6146.761.70000123.1
520S34.8Very low31.2Very low119 Ų119142.6 Ų142.683%0.83276%0.763SS**  trans-148.3128.7153.5-58.20000106.7
521V31Very low31.3Very low124 Ų124143.4 Ų143.475%0.75277%0.767SS**  cis74.6111.436.6-171.20000112.8V523V521-V523 HydrophobicContact CG1-CG2 4.41Å
522L26.2Very low30.1Very low176 Ų176144.9 Ų144.992%0.92176%0.764SS**  trans-88.2110.3-179.7178.874.6000110.4
523V27.9Very low30Very low106 Ų106141.7 Ų141.764%0.64276%0.757SS**  trans-116.3135.7168177.10000109.4V521 F525V521-V523 HydrophobicContact CG1-CG2 4.41Å; V523-F525 HydrophobicContact CG1-CD2 4.26Å; V523-F525 HydrophobicContact CG1-CE2 4.15Å
524K26.4Very low29.9Very low198 Ų198142 Ų14286%0.86176%0.763SS**  trans-85.1121.6177.6-179.2122.464.7179.90110.2
525F26.2Very low30.2Very low179 Ų179141.1 Ų141.179%0.78577%0.765SS**  trans-104.4156.3163.5-93.6-96.3000111.3V523V523-F525 HydrophobicContact CG1-CD2 4.26Å; V523-F525 HydrophobicContact CG1-CE2 4.15Å
526P37.8Very low30.1Very low115 Ų115138 Ų13875%0.74777%0.769SS**  trans-96.4171.8-168.138.7-35000113.7
527T28.9Very low30.2Very low142 Ų142137.3 Ų137.387%0.87177%0.774SS**  trans-86.7131.5172.1-52.30000111.2
528Q33.9Very low30.8Very low185 Ų185135.7 Ų135.786%0.86477%0.773SS**  trans-150.2138.1141.4-163.8170.37.400110.5
529K28.9Very low30.2Very low199 Ų199138.4 Ų138.487%0.86578%0.781SS**  trans-138.5106.5155.7-142.7179.7-174.6-174.20109.3
530D27.2Very low29.9Very low109 Ų109137 Ų13758%0.58378%0.784SS**  trans8.8132.4146.6-176.837.1000118.9Q532D530-Q532 PolarHBondContact OD1-N 2.84Å; D530-Q532 VanDerWaalsContact OD1-N 3.12Å
531L31.1Very low29.5Very low149 Ų149136.2 Ų136.278%0.7878%0.784SS**  -159.497.3121-104.1175.1000112.3
532Q26.9Very low29.2Very low140 Ų140134.2 Ų134.265%0.65478%0.78SS**  trans53.6124.5133.2-75.5-172.949.900124.2D530D530-Q532 PolarHBondContact OD1-N 2.84Å; D530-Q532 VanDerWaalsContact OD1-N 3.12Å
533T25.8Very low29.2Very low108 Ų108135.4 Ų135.466%0.66378%0.778SS**  80.5106.7123.1-54.20000120.9
534V30.5Very low29.4Very low140 Ų140135.6 Ų135.685%0.84879%0.785SS**  trans-111.8146.7144.1173.40000107.6
535P34.8Very low30.1Very low106 Ų106132 Ų13269%0.68878%0.782SS**  trans-136.1149146.436.6-23.8000114.9
536A26.2Very low30.4Very low94 Ų94128 Ų12878%0.77778%0.781SS**  trans59.1108.9154.200000120.6
537S29.6Very low30.1Very low121 Ų121131.4 Ų131.485%0.84679%0.787SS**  trans-77.9155.5138.6-51.90000110.2
538P41.3Very low30Very low121 Ų121128.9 Ų128.979%0.78678%0.781SS**  -135.3172.4127.338.2-29000113.6
539D26.6Very low29.7Very low172 Ų172127.7 Ų127.792%0.9278%0.775SS**  trans-60.7152.7180-68.8-81.2000115.4
540G26.1Very low29.6Very low75 Ų75125.5 Ų125.577%0.77377%0.772SS**  trans-177.743.8-17800000120.2
541A26.2Very low29.6Very low101 Ų101126.1 Ų126.184%0.83578%0.78SS**  trans40.1119.7153.400000123.4
542A24.8Very low29.4Very low82 Ų82125.3 Ų125.368%0.67878%0.781SS**  95.6155.7126.400000123.6
543F26.2Very low29.7Very low201 Ų201127.1 Ų127.188%0.88279%0.787SS**  trans80104.7167.5-59.7-71.7000121.2
544S33Very low29.8Very low111 Ų111131.9 Ų131.978%0.77680%0.799SS**  trans-95.4170.4140-45.70000109.2
545P39.6Very low29.8Very low123 Ų123130.9 Ų130.980%0.79979%0.788SS**  -144.9171.487.938.3-22.2000115.1
546A33.5Very low30.5Very low93 Ų93130.9 Ų130.977%0.76979%0.788SS**  trans-103.4175.8172.700000111.8
547Q30.6Very low30.6Very low187 Ų187131.8 Ų131.887%0.87479%0.785SS**  trans-178.8160.6145.7-86.6-102.5-21.200107.4
548A28.2Very low30.6Very low89 Ų89132.7 Ų132.774%0.73679%0.785SS**  cis-137.4166.11200000113.2
549E26.4Very low30.3Very low161 Ų161134.5 Ų134.575%0.75279%0.787SS**  trans-105.7147.8171.9-178.4-158.9137.900109.3
550L26.2Very low31.1Very low152 Ų152131.5 Ų131.580%0.79678%0.777SS**  trans-158.1136136.8-141.873.5000112.6
551T27.7Very low31Very low123 Ų123135.9 Ų135.976%0.75578%0.782SS**  trans-127.8158.9156.362.40000109.3
552T26.1Very low31Very low131 Ų131134.8 Ų134.880%0.80477%0.773SS**  trans-149.3131.7172.1-37.10000109.4
553K34.3Very low31.1Very low179 Ų179139.6 Ų139.678%0.77878%0.781SS**  trans-138.9135.6173.7-171.1-170.7176.1-164.80109.9D555K553-D555 IonicContact NZ-OD2 3.39Å
554K27.6Very low30.9Very low208 Ų208136 Ų13690%0.90478%0.776SS**  trans-151136.2158.9-144.5172.4-176177.40111.3
555D29.9Very low30.6Very low118 Ų118137 Ų13763%0.63178%0.777SS**  trans-75.3177.5167.7-101.8-94.5000110.8K553K553-D555 IonicContact NZ-OD2 3.39Å
556P51.5Low29.9Very low106 Ų106142.1 Ų142.169%0.68878%0.78SS**  cis-136.5-169.7728.1-3.6000115.3
557T28.1Very low29.4Very low114 Ų114146.4 Ų146.470%0.69978%0.782SS**  137.1103.6125.9-54.80000117.2
558V29.3Very low29.2Very low139 Ų139144 Ų14484%0.84278%0.775SS**  trans74.9145.81411710000121.7
559L34.4Very low29.4Very low159 Ų159144.5 Ų144.583%0.83277%0.773SS**  trans-87.4-171.8175.8-59.2170.1000110.5
560P43.2Very low29.8Very low110 Ų110142.5 Ų142.571%0.71477%0.774SS**  cis-146.1-174.4647.3-27.9000117.4
561L24.5Very low29.8Very low166 Ų166139 Ų13987%0.86976%0.762SS**  trans55.1147.9142.8-124.769.7000124.8
562A26.7Very low29.7Very low79 Ų79141.9 Ų141.965%0.65376%0.764SS**  trans73.686.3143.200000121.7
563Q25.6Very low29.7Very low182 Ų182143.3 Ų143.385%0.8576%0.762SS**  36.4118116.2-74.5-179.4-2600121.7
564T22.5Very low29.2Very low126 Ų126139.4 Ų139.477%0.77376%0.757SS**  trans81.6114135.2-45.50000120.2
565V26.7Very low29.1Very low132 Ų132135.3 Ų135.380%0.875%0.75SS**  -178103.5118.3152.70000112.6
566R24.3Very low28.8Very low230 Ų230134.1 Ų134.187%0.86875%0.751SS**  trans40.1106.9134.1-162.8-169.3-143.71404.4122
567K24.4Very low27.6Very low184 Ų184132.4 Ų132.480%0.874%0.741SS**  -170.9152.2112.7-111.4-178.3178.61780114.7
568N25.6Very low27.6Very low137 Ų137128.2 Ų128.273%0.73372%0.717SS**  trans61.3103.5161.6-62.415.6000120.7
569S32.2Very low28.1Very low99 Ų99125.8 Ų125.869%0.69270%0.704SS**  trans1.3158.5132.155.30000121.5
570P35.6Very low27.6Very low118 Ų118122 Ų12277%0.76668%0.682SS**  cis-117.5127.710.917.45.1000113.7
571S26.3Very low26.8Very low79 Ų79119.7 Ų119.755%0.55266%0.663SS**  84.1103.659.872.10000113.7
572F24.7Very low26.7Very low183 Ų183116.3 Ų116.380%0.80365%0.653SS**  80.5147.586.8-60.6-41.5000112.8
573Q25.4Very low26.7Very low161 Ų161120.1 Ų120.175%0.75266%0.661SS**  cis-126.6165.8-4.1-93.5108-1300108.2
574S25.1Very low26.8Very low97 Ų97116.3 Ų116.368%0.67866%0.655SS**  cis80.5136.735.3-55.90000116.8
575T24.1Very low27.9Very low122 Ų122115.7 Ų115.775%0.74865%0.653SS**  trans66.8110.2150.447.40000122.2
576S25.2Very low27.8Very low94 Ų94117 Ų11766%0.65765%0.651SS**  54.6143.3121.470.90000124.2
577S26.3Very low27.8Very low69 Ų69110.8 Ų110.848%0.48364%0.638SS.*  trans62.5104.4139.3-171.10000117.5
578S28.2Very low27.8Very low26 Ų26107.8 Ų107.818%0.18264%0.635CS.*  61.5132.289.7-48.20000115.4T757 Q758 Q759S578-T757 VanDerWaalsContact C-OG1 3.31Å; S578-T757 VanDerWaalsContact CB-C 3.49Å; S578-T757 VanDerWaalsContact CB-CB 3.4Å; S578-T757 WeakPolarHBondContact CB-OG1 3.47Å; S578-T757 PolarHBondContact O-OG1 3.37Å; S578-Q758 VanDerWaalsContact CA-O 3.32Å; S578-Q758 WeakPolarHBondContact CA-O 3.47Å; S578-Q758 VanDerWaalsContact CB-C 3.43Å; S578-Q758 WeakPolarHBondContact CB-O 3.37Å; S578-Q758 PolarHBondContact OG-O 3.2Å; S578-Q759 WeakPolarHBondContact OG-CA 3.08Å; S578-Q759 WeakPolarHBondContact OG-CB 3.44Å; S578-Q759 PolarHBondContact OG-N 3.21Å
579P38.2Very low27.8Very low88 Ų88107.9 Ų107.957%0.57164%0.641SS**  cis-119.4177.248.23.222.9000115.4
580E25.8Very low27.6Very low80 Ų80107.8 Ų107.837%0.37465%0.646SS.*  cis88145.538.3-145.8-150.3161.100117.2T756 T757 Q758E580-T756 VanDerWaalsContact OE2-C 3.23Å; E580-T756 WeakPolarHBondContact OE2-CA 3.47Å; E580-T756 PolarHBondContact OE2-N 2.94Å; E580-T757 PolarHBondContact OE2-N 2.68Å; E580-Q758 HydrophobicContact CB-CB 4.27Å; E580-Q758 HydrophobicContact CB-CG 4.02Å; E580-Q758 HydrophobicContact CG-CG 3.87Å
581I25.2Very low27.4Very low62 Ų62111.7 Ų111.732%0.31865%0.651SS.*  trans89.595.3161.5-71.8154.7000120.5Q754 A755I581-Q754 HydrophobicContact CD1-CB 3.96Å; I581-Q754 HydrophobicContact CD1-CG 3.96Å; I581-Q754 HydrophobicContact CG1-CG 4.41Å; I581-Q754 HydrophobicContact CG2-CG 4.19Å; I581-Q754 VanDerWaalsContact CG2-NE2 3.34Å; I581-A755 HydrophobicContact CD1-CB 4.36Å
582S23.1Very low27.5Very low94 Ų94117.8 Ų117.866%0.65767%0.667SS**  82.3149.9118.7-60.40000126.5
583L25.4Very low27.8Very low159 Ų159114 Ų11483%0.83266%0.663SS**  trans82.6112.2146.3-78.4159.6000122.3
584S27.6Very low28.2Very low102 Ų102114.3 Ų114.371%0.71367%0.67SS**  trans-62.4170.1140.9-43.50000110.8
585P47.2Very low28.8Very low113 Ų113113.4 Ų113.473%0.73468%0.675SS**  cis-148.7-158.426.340.2-15.6000116.6
586E24.7Very low29.1Very low161 Ų161111.1 Ų111.175%0.75268%0.676SS**  trans91.1114.5142.5-90.9-150.795.200124.7
587T22.8Very low29.6Very low99 Ų99112.9 Ų112.961%0.60769%0.685SS**  53.4116.4119.959.70000124.9
588T25Very low30Very low120 Ų120116.9 Ų116.974%0.73670%0.701SS**  66.997.7112.1-46.40000123
589V26.4Very low30.6Very low139 Ų139120.7 Ų120.784%0.84273%0.725SS**  trans67.4123.3133.1178.70000122.1
590A28.2Very low30.5Very low97 Ų97124.2 Ų124.280%0.80274%0.737SS**  trans-170.5122.3134.200000118.2
591K30.6Very low30.8Very low201 Ų201126.6 Ų126.687%0.87476%0.757SS**  trans20.4117.1145.2-66.6172.9180170.40124.8
592K28.8Very low30.9Very low206 Ų206130 Ų13090%0.89678%0.78SS**  49.8132.6113.9-92-175.8175.1-179.10123.8
593S31Very low31Very low103 Ų103129.9 Ų129.972%0.7279%0.785SS**  109.1105.2125.5-174.50000121.5
594L34Very low31.6Very low169 Ų169128.2 Ų128.289%0.88579%0.785SS**  -174.4151126-129.766.7000113.7
595G38Very low32.3Very low77 Ų77128.6 Ų128.679%0.79479%0.785SS**  trans57.5118.4149.300000122.2
596G29.3Very low31.4Very low74 Ų74130.3 Ų130.376%0.76379%0.788SS**  trans-82170.816300000113.4
597P36.4Very low31.4Very low132 Ų132130.5 Ų130.586%0.85779%0.789SS**  -124.8-164.362.942.2-35.2000115.8
598L34.3Very low31.7Very low153 Ų153130.5 Ų130.580%0.80179%0.793SS**SBendtrans-55.3153.1-171-60.1164.3000115.7
599P40.2Very low31.8Very low106 Ų106128.9 Ų128.969%0.68879%0.791SS**SBendcis-124.4102.9-9.432.5-13.1000113.6
600I36.9Very low31.7Very low161 Ų161129.7 Ų129.783%0.82679%0.791SS**  trans62.9111.5136.1-57.2158.4000117
601V31.6Very low32.6Very low131 Ų131130.1 Ų130.179%0.79479%0.786SS**  trans-137.4144.1-170.1162.50000111.6
602T28.4Very low32.3Very low132 Ų132125.6 Ų125.681%0.8179%0.786SS**  trans66.2116.2165-64.20000118.9
603A24.3Very low32.1Very low93 Ų93119.2 Ų119.277%0.76978%0.779SS**  174.2153.1114.500000113.3
604C38.3Very low32.1Very low123 Ų123121.2 Ų121.283%0.83179%0.786SS**  trans-81.8179.7154.3-51.10000108.9
605P41Very low31.9Very low110 Ų110117.7 Ų117.771%0.71478%0.781SS**  cis-144.4-159.69.744.3-22.7000114.7
606L28.6Very low32.1Very low150 Ų150119.5 Ų119.579%0.78578%0.779SS**  trans15.3149.7142-68.3167.6000123
607Q24.9Very low32Very low165 Ų165121.9 Ų121.977%0.77178%0.779SS**  trans96.1140.7143.2-132.374.513.900119.7
608S28.8Very low31.5Very low99 Ų99121.4 Ų121.469%0.69277%0.774SS**  trans-59151.8177.353.40000116.2
609A26.8Very low31.3Very low85 Ų85118.6 Ų118.670%0.70277%0.772SS**  167.7129.893.700000112.9
610D24.4Very low30.7Very low157 Ų157121.7 Ų121.784%0.8478%0.775SS**  trans45.6173.1142.2-89.1-65.7000122.8
611P47.8Very low30.6Very low106 Ų106118.5 Ų118.569%0.68877%0.773SS**  cis-129.1175-22.331.6-13.4000114.1
612A23.7Very low30.8Very low106 Ų106116.1 Ų116.188%0.87677%0.767SS**  trans60.4139.4149.300000121.3
613G24.6Very low31Very low72 Ų72112.1 Ų112.174%0.74275%0.747SS**  trans159.290.4162.600000117.4
614V31.6Very low31.5Very low144 Ų144110.2 Ų110.287%0.87373%0.728SS**  trans2.3132.5155.9-71.50000120.9
615A29.4Very low31.3Very low96 Ų96109.1 Ų109.179%0.79371%0.711SS**  trans-72.3161.1164.600000112.9
616P42.2Very low30.8Very low114 Ų114111.7 Ų111.774%0.7471%0.711SS**  -148.9138.9116.232.1-13.4000117.8
617T27Very low30.8Very low124 Ų124111.5 Ų111.576%0.76172%0.715SS**  49.7132.4127.7-31.90000122.3
618T27.5Very low31.2Very low123 Ų123110.6 Ų110.676%0.75572%0.715SS**  152.9132.5110.9-54.60000116.4
619A29.6Very low31.8Very low93 Ų93112 Ų11277%0.76972%0.722SS**  trans53.1154.6157.900000122.2
620K27.6Very low31.8Very low172 Ų172116.5 Ų116.575%0.74873%0.725SS**  cis118.691.1-11.8-162.8-175.2-17981.30119.7
621A34.2Very low32.2Very low94 Ų94114 Ų11478%0.77772%0.718SS**  trans71.6177.2131.200000124
622A36Very low31.1Very low81 Ų81117.4 Ų117.467%0.66972%0.724SS**  trans93156.3170.300000118S265S265-A622 WeakPolarHBondContact OG-CA 3.33Å
623A32.3Very low31.3Very low48 Ų48117.2 Ų117.240%0.39772%0.717SS.*  cis-130.2-173.39.500000113.7L264 S265L264-A623 CarbonylContact C-O 3.57Å; L264-A623 VanDerWaalsContact C-O 3.27Å; L264-A623 VanDerWaalsContact CA-O 3.27Å; L264-A623 WeakPolarHBondContact CA-O 3.44Å; L264-A623 WeakPolarHBondContact CB-O 3.42Å; L264-A623 WeakPolarHBondContact CD2-O 3.14Å; L264-A623 WeakPolarHBondContact CG-O 3.27Å; S265-A623 WeakPolarHBondContact CB-O 3.5Å; S265-A623 PolarHBondContact N-O 2.84Å; S265-A623 WeakPolarHBondContact OG-CA 2.95Å; S265-A623 PolarHBondContact OG-N 2.78Å; S265-A623 PolarHBondContact OG-O 2.61Å
624S36.2Very low31.6Very low52 Ų52118 Ų11836%0.36472%0.717SS.*  117.41.7125.4-530000129.4L264L264-S624 VanDerWaalsContact CB-CA 3.44Å
625E33.5Very low31.2Very low100 Ų100116.8 Ų116.847%0.46771%0.714SS.*  trans76.1-161.5168.3-50137.771.700119.7L264L264-E625 WeakPolarHBondContact O-CA 2.98Å; L264-E625 PolarHBondContact O-N 3.22Å
626K29.6Very low31.1Very low164 Ų164118 Ų11871%0.71371%0.711SS**  cis-170.7122.211.5-144.4-178.7-16383.50118.4
627V29.4Very low30.5Very low146 Ų146117.6 Ų117.689%0.88571%0.712SS**  trans74154.4141174.70000126.5
628L33.4Very low31.5Very low147 Ų147117.2 Ų117.277%0.7771%0.711SS**  trans-120.7159.5-175.3-174.693000113.3
629P40.8Very low32.7Very low127 Ų127116.9 Ų116.983%0.82571%0.711SS**  -146.3176.7120.839-23.5000116.2
630K26.5Very low33.8Very low180 Ų180117.5 Ų117.578%0.78371%0.707SS**  trans-152.8149.8-175.7172.9173.7178178.30115.5
631P34Very low34.1Very low104 Ų104115.5 Ų115.568%0.67571%0.709SS**  trans-108.6163.7152-2.625.5000113.9
632E24.4Very low35.8Very low178 Ų178116.6 Ų116.683%0.83271%0.709SS**  cis81.1125.815.9-162.4160.3-130.200115
633S28.6Very low36.5Very low102 Ų102118.5 Ų118.571%0.71372%0.715SS**  cis-155153.6-7.2-116.30000108.2
634A29.1Very low36.3Very low90 Ų90122.3 Ų122.374%0.74473%0.732SS**  99.7161.351.800000114.7
635S23.8Very low36Very low118 Ų118125.3 Ų125.383%0.82575%0.754SS**  trans89.8154.5170.2-152.40000120
636V27.1Very low35.8Very low120 Ų120128.5 Ų128.573%0.72777%0.773SS**  -178.5147.3-65.8145.80000113.7
637S29.9Very low36.6Very low107 Ų107126.1 Ų126.175%0.74877%0.774SS**  trans74170.3158.7800000119.9
638P48.3Very low36.5Very low116 Ų116127.4 Ų127.475%0.75378%0.775SS**  cis-128.6-147.82.949.7-32.1000114.1
639P52.8Low36.3Very low116 Ų116124.5 Ų124.575%0.75377%0.772SS**  trans-122.7-145.7-132.635.2-7.4000111.8
640P52.8Low36.4Very low105 Ų105123.9 Ų123.968%0.68277%0.768SS**  cis-143.2-175.5-5.240.8-18.3000118.6
641T34.1Very low36.8Very low130 Ų130121 Ų12180%0.79877%0.771SS**  trans64.2103.1152.541.40000122.7
642P68.9Low37.3Very low118 Ų118121.5 Ų121.577%0.76677%0.774SS**  trans-100.5173.2156.740.8-34.8000112.8
643P50.9Low38.1Very low121 Ų121118.8 Ų118.879%0.78677%0.769SS**  -157.8179.6126.936.7-15.3000118.4
644V28.4Very low38.5Very low127 Ų127119.7 Ų119.777%0.7777%0.773SS**  trans90.1101.8156-169.60000122.5
645S30.7Very low38.5Very low116 Ų116121.1 Ų121.181%0.81177%0.773SS**  trans73.5156.2135.3-620000126.9
646L28.9Very low39Very low167 Ų167122.8 Ų122.887%0.87477%0.771SS**  trans-97.1-163.3177.9-48.1157.9000110.5
647P45.6Very low40.4Very low114 Ų114122.3 Ų122.374%0.7477%0.771SS**  cis-141.6-160.5-7.836.7-12.7000115.6
648L27.7Very low41Very low173 Ų173123 Ų12391%0.90677%0.773SS**  trans103.4165.3140.7-141.560.2000120.8
649A29Very low40.1Very low85 Ų85126 Ų12670%0.70277%0.774SS**  trans-127.9-135-17100000111.8
650P42.4Very low39.1Very low115 Ų115126.9 Ų126.975%0.74777%0.768SS**  -122163.5-73.636.4-24000116
651S35.2Very low38Very low119 Ų119130 Ų13083%0.83277%0.773SS**  trans65.9-179.2157.7-125.60000116.8
652P44.6Very low37.7Very low114 Ų114131.8 Ų131.874%0.7477%0.77SS**  cis-133.4-169.1-6.543.1-25.1000116.3
653V40.4Very low35.7Very low121 Ų121133 Ų13373%0.73377%0.77SS**  trans-80.1152.4176.4173.20000113.7
654P38.4Very low34.8Very low122 Ų122134.4 Ų134.479%0.79277%0.77SS**  trans-115.5165.3153.136.1-25.6000114.2
655T28Very low34.7Very low120 Ų120133.6 Ų133.674%0.73677%0.77SS**  trans-138.3162.3-148-46.40000115.1
656L34.3Very low35.1Very low152 Ų152133.7 Ų133.780%0.79677%0.77SS**  trans-26.7175.4163.8-59.9162.6000119
657P56.9Low35.6Very low111 Ų111131.7 Ų131.772%0.72177%0.767SS**  cis-129.2-146.5-36.532.9-9.5000110.5
658P42Very low34.6Very low122 Ų122129.1 Ų129.179%0.79276%0.762SS**  -152.3-169.171.341.8-19000117.5
659K30.2Very low34.7Very low178 Ų178128.8 Ų128.877%0.77476%0.76SS**  trans-81.6-172.1-177.3-45.4176.9-177.3172.60113.2
660Q32.6Very low34.5Very low134 Ų134130.8 Ų130.863%0.62676%0.763SS**  cis-141.1-132.52.7-144.7164.8-100.700110.3
661Q29.3Very low33.8Very low170 Ų170131.7 Ų131.779%0.79476%0.761SS**  cis-141.5-131.85.6-160.1156-2700112.5
662F27.4Very low33.3Very low168 Ų168134 Ų13474%0.73776%0.759SS**  trans-158152-159.9-95.7-83.5000116.1
663L27.4Very low32.8Very low144 Ų144133.8 Ų133.875%0.75476%0.76SS**  trans73.6130.7148.5-66.5169.6000124.5
664L30.5Very low32.5Very low150 Ų150133.6 Ų133.679%0.78576%0.761SS**  trans63.4146132.5-78.5168.1000125.7
665S26.6Very low31.9Very low111 Ų111133 Ų13378%0.77676%0.76SS**  trans89.7141148.8-64.50000121.5
666S38.7Very low32Very low117 Ų117136.2 Ų136.282%0.81876%0.764SS**  trans-98.9160.4178.7-39.30000112.8
667P40Very low31.8Very low125 Ų125135 Ų13581%0.81277%0.765SS**  -133.1-179.9118.740.8-31.3000110.6
668G25.6Very low30.4Very low61 Ų61137.8 Ų137.863%0.62977%0.773SS**  cis92.2132.817.600000111.4
669L28.9Very low29.7Very low165 Ų165135.5 Ų135.586%0.86477%0.765SS**  cis-158.5-171.1-1.2-81.3177000108
670V24.4Very low30.1Very low127 Ų127133 Ų13377%0.7777%0.766SS**  trans79.1142158-156.30000113.8
671L27.5Very low30.1Very low134 Ų134130.4 Ų130.470%0.70277%0.768SS**  cis-142.7137.219.2-162.541000113.4
672E25.6Very low30.3Very low169 Ų169129.5 Ų129.579%0.7977%0.769SS**  trans58.3127.7137.5-150.8142.297.900124.1
673S34.7Very low30.7Very low109 Ų109128.6 Ų128.676%0.76277%0.767SS**  trans-83.8161.3159.9-50.80000111.3
674P33.2Very low31.2Very low116 Ų116128.4 Ų128.475%0.75377%0.766SS**  -139.1141.7126.136.3-25.1000116.2
675S25.4Very low31.4Very low110 Ų110129.7 Ų129.777%0.76977%0.768SS**  trans38.5104.3132.8-53.10000121.2
676K31.3Very low32Very low188 Ų188132 Ų13282%0.81777%0.771SS**  40110.9116.9-174.6179.4-178.9-179.90118.3
677P29.7Very low32.7Very low126 Ų126132.7 Ų132.782%0.81877%0.773SS**  trans-66.9153.9161.9-19.133.1000113.7
678L27.6Very low33.1Very low169 Ų169131.7 Ų131.789%0.88577%0.766SS**  trans-108.5157.8172-171.466.9000109.4
679A27.2Very low33.2Very low75 Ų75136.3 Ų136.362%0.6278%0.776SS**  trans-72.1167.2167.100000110.9
680P39.3Very low33.6Very low124 Ų124136.2 Ų136.281%0.80577%0.774SS**  -111.516160.6-1.324.6000112.2
681A32.1Very low34.6Very low80 Ų80135.6 Ų135.666%0.66177%0.773SS**  cis77.3106.638.700000114.5
682D33.3Very low35.6Very low152 Ų152134.5 Ų134.581%0.81377%0.774SS**  -161.3113.3125.9-133-128.4000108.8
683E35Very low36.2Very low149 Ų149135.4 Ų135.470%0.69678%0.778SS**  trans35.9153136.3-39.4-51.375.400121.6
684D39Very low36.7Very low140 Ų140135.2 Ų135.275%0.74977%0.774SS**  cis-153.8176.116.5-146.1-30.6000113.7
685E34.5Very low36.4Very low176 Ų176137 Ų13782%0.82278%0.776SS**  trans62.869.9165.6-67.3-160.4101.700120.5
686L40Very low36.8Very low161 Ų161137.4 Ų137.484%0.84378%0.779SS**  21.7127127.8-58.2175000120.9
687P53.5Low36.8Very low130 Ų130132.2 Ų132.284%0.84478%0.779SS**  trans-78.7-90.7-178.527.7-29000117.7
688P46.6Very low36.8Very low105 Ų105130.1 Ų130.168%0.68278%0.78SS**  cis-129.2-160.7-14.336.1-12.3000114.8
689L29.4Very low37.1Very low158 Ų158128.8 Ų128.883%0.82778%0.779SS**  trans91.4103.4163.6-55.9-172.7000122
690I37.2Very low38.4Very low162 Ų162129.9 Ų129.983%0.83178%0.779SS**  trans-109.7136.8145.2-65.2161.4000106.4
691P43.8Very low38.2Very low115 Ų115132.4 Ų132.475%0.74778%0.778SS**  -145.8165.4121.830.9-11.9000114.9
692P49.1Very low38.4Very low111 Ų111136.6 Ų136.672%0.72178%0.784SS**  trans-108.3165.8-170.340.7-35.2000116.6
693E38.3Very low38.4Very low187 Ų187134.4 Ų134.487%0.87478%0.78SS**  trans64.1171.9164.6-74-164.8-16800116.7
694P45.4Very low38.3Very low105 Ų105133.6 Ų133.668%0.68279%0.785SS**  cis-136.4-149.39.534.8-9.7000115.5
695I26.7Very low38.1Very low154 Ų154134.3 Ų134.379%0.7979%0.788SS**  trans81.797.9158.259.9162.6000123.7
696S34.2Very low38Very low118 Ų118130.6 Ų130.683%0.82578%0.777SS**  67.1103.6107.8-174.80000122.6
697G31Very low37.8Very low80 Ų80126.7 Ų126.783%0.82576%0.758SS**  86.4147.3114.900000120.3
698G29.6Very low36.8Very low81 Ų81124 Ų12484%0.83573%0.734SS**  trans119.9121.7164.100000116.5
699V34.4Very low36.5Very low142 Ų142122.8 Ų122.886%0.86173%0.727SS**  trans-90.9175.1157.6-61.70000108.5
700P55.1Low36.9Very low98 Ų98119.8 Ų119.864%0.63672%0.715SS**  cis-148.7178.611.443.6-22.6000119.5
701F35.1Very low37Very low176 Ų176117.7 Ų117.777%0.77271%0.712SS**  trans56.6116.4143.7-63.6-40.9000126.2
702Q34.7Very low36.6Very low169 Ų169121.9 Ų121.979%0.7972%0.718SS**  85.6148.4122-70.1-171.26400125.1
703S34.2Very low35.9Very low105 Ų105120.9 Ų120.973%0.73472%0.719SS**  trans103.287.9144.770.20000123.8
704V32Very low35.8Very low132 Ų132117.2 Ų117.280%0.872%0.721SS**  65.2133.7104.11730000123.3
705L35.9Very low35.2Very low155 Ų155116 Ų11681%0.81273%0.728SS**  trans100.6138.2147.4-93.3171.4000125.2
706V31.4Very low35.7Very low98 Ų98115.9 Ų115.959%0.59473%0.727SS**  trans78.1154.1149.8173.40000121.6E194E194-V706 WeakPolarHBondContact OE1-CG1 3.32Å
707N36Very low36.3Very low80 Ų80115.7 Ų115.743%0.42872%0.723SS.*  -175.5154-54.4-170.821.2000112.8E194E194-N707 WeakPolarHBondContact CG-O 3.02Å
708M32.8Very low36.5Very low72 Ų72117.9 Ų117.936%0.35572%0.72SS.*  trans65.4150.3157.9-83.1-47.7101.400120.2V195 V196 P197 T710V195-M708 VanDerWaalsContact CA-O 3.27Å; V195-M708 WeakPolarHBondContact CA-O 3.43Å; V195-M708 VanDerWaalsContact CG2-O 3.29Å; V195-M708 WeakPolarHBondContact CG2-O 3.33Å; V196-M708 VanDerWaalsContact O-CA 3.28Å; V196-M708 WeakPolarHBondContact O-CA 2.91Å; V196-M708 VanDerWaalsContact O-CE 3.3Å; V196-M708 WeakPolarHBondContact O-CE 3.04Å; V196-M708 PolarHBondContact O-N 2.7Å; P197-M708 HydrophobicContact CB-CE 4.09Å; M708-T710 HydrophobicContact SD-CG2 4.03Å
709P39.5Very low37.2Very low81 Ų81118.8 Ų118.853%0.52671%0.711SS.*  cis-131.5166.43842.8-27.9000118.2P197P197-P709 WeakPolarHBondContact CD-O 3.48Å; P197-P709 WeakPolarHBondContact CG-O 3.33Å
710T38.3Very low37Very low95 Ų95117.9 Ų117.958%0.58371%0.706SS**  trans-86177.816650.10000111.8P197 M708P197-T710 HydrophobicContact CG-CG2 4.16Å; M708-T710 HydrophobicContact SD-CG2 4.03Å
711P40.7Very low37Very low117 Ų117119.1 Ų119.176%0.7671%0.714SS**  -145.3135.1119.833.6-17.6000116.8
712K34.8Very low36.9Very low204 Ų204117 Ų11789%0.88772%0.721SS**  67.7135.8127.1-148.4172-172.71750119.2
713A34.6Very low37.2Very low89 Ų89113 Ų11374%0.73672%0.717SS**  cis-171.3-177.8-13.400000112.6
714A36.2Very low37.6Very low110 Ų110118.1 Ų118.191%0.90973%0.726SS**  trans92.3125.2156.500000119.1
715G32Very low37.7Very low80 Ų80120.2 Ų120.283%0.82573%0.727SS**  trans148.398.3174.900000114.2
716I37.3Very low38.4Very low152 Ų152117.7 Ų117.778%0.77972%0.72SS**  trans-132.2142.1178.2-69.5174.8000105.2
717P47.4Very low38.2Very low113 Ų113119 Ų11973%0.73473%0.728SS**  cis-128.1167.942.216.410.5000116.4
718V34.3Very low38.3Very low127 Ų127123.4 Ų123.477%0.7775%0.748SS**  cis85.7140.737.1128.80000114
719P43.8Very low38.5Very low99 Ų99129 Ų12964%0.64377%0.77SS**  cis-144.4174.1-11.540.2-20.6000119.4
720T30.7Very low38.4Very low124 Ų124130.9 Ų130.976%0.76178%0.776SS**  trans66131.714538.90000124.8
721P56.2Low38.4Very low124 Ų124132.4 Ų132.481%0.80578%0.781SS**  trans-94.8178.9150.840.2-33.6000112.1
722S32.9Very low38.5Very low131 Ų131137 Ų13792%0.91679%0.789SS**  trans-154.8164.1160.9-159.40000112.7
723A41Very low38.7Very low84 Ų84131.1 Ų131.169%0.69479%0.786SS**  trans-126.4171.5-166.100000113.6
724K41.7Very low39Very low213 Ų213133.2 Ų133.293%0.92680%0.795SS**  trans-165142.1147.9-104.7147-171.2178.90113.4
725Q34.7Very low39.3Very low176 Ų176130.8 Ų130.882%0.82278%0.781SS**  trans-119.1174.7161-132-168.231.500106.3
726P49.5Very low39.9Very low103 Ų103133.4 Ų133.467%0.66978%0.781SS**  -155.5-174.758.237-12.1000117.6
727V28.7Very low40.2Very low126 Ų126135.4 Ų135.476%0.76479%0.787SS**  trans60.2150.7163.9-95.90000118.8
728M37.8Very low40.4Very low171 Ų171135.1 Ų135.184%0.84279%0.787SS**  cis-133.4149.87.6-78-16017100115
729K37.4Very low40.6Very low190 Ų190136.1 Ų136.183%0.82679%0.789SS**  trans19.1141.5146.7-83.4-175.7177.2179.40124.6
730N36.5Very low40.5Very low120 Ų120136.2 Ų136.264%0.64279%0.792SS**  trans99.178.9139.3-76.230000122.6
731N38.8Very low41.2Very low128 Ų128137.4 Ų137.468%0.68479%0.793SS**  40.7108.4129.349-112000123.4
732K43Very low40.7Very low213 Ų213138.1 Ų138.193%0.92679%0.786SS**  74.599.5114.5-167.7179.7-179.1179.90119.2
733G38.7Very low41.4Very low80 Ų80137.2 Ų137.283%0.82578%0.78SS**  trans-164.5125.6165.300000113.6
734S40.8Very low41.8Very low134 Ų134138.6 Ų138.694%0.93778%0.779SS**  trans-55.3154.4-179.8176.80000116.9
735G41.3Very low42.2Very low59 Ų59134.5 Ų134.561%0.60877%0.774SS**  trans136.8112.1141.300000117.7
736T45.4Very low42.6Very low134 Ų134134.4 Ų134.482%0.82277%0.774SS**  trans22.7112.4145.951.60000119.1
737E44.3Very low42.5Very low194 Ų194136.7 Ų136.791%0.90778%0.78SS**  trans-67155.7155.363.5-141.290.600112.1
738S51.4Low43.2Very low107 Ų107139.2 Ų139.275%0.74878%0.783SS**  trans-134.1166.4-176.4-66.10000111.2
739D37.3Very low43.5Very low149 Ų149140.1 Ų140.180%0.79779%0.785SS**  trans95.2135.7143.7-140.3-122000119.5
740S42.1Very low43.6Very low101 Ų101139.9 Ų139.971%0.70679%0.787SS**  trans59.8156.5167.5-78.80000119.6
741D45.5Very low43.5Very low148 Ų148141.2 Ų141.279%0.79179%0.794SS**  cis-139.6168.65.3-156.4-167.3000114.1
742E46.7Very low43.6Very low140 Ų140140.1 Ų140.165%0.65480%0.796SS**  trans-66148.3170176.570.2117.500112.7
743S45.8Very low43.4Very low112 Ų112135.6 Ų135.678%0.78379%0.787SS**  trans-168.2103.9156.7-86.90000112.9
744V50Low43.4Very low112 Ų112138 Ų13868%0.67978%0.777SS**  trans-77144.3166.6-157.40000109.9
745P49.6Very low43.3Very low127 Ų127135.3 Ų135.383%0.82576%0.762SS**  trans-9990.1147.7-12.530.7000110
746E43.2Very low43.3Very low175 Ų175137.5 Ų137.582%0.81876%0.764SS**  trans-67.1132150.2176.7-179.2117.600107.6
747L48.5Very low43Very low151 Ų151134.1 Ų134.179%0.79174%0.743SS**  trans-173.9122.9143.7-105167.7000110.4
748E42.1Very low43.1Very low179 Ų179131.2 Ų131.284%0.83673%0.73SS**  trans-79.1144155.3-59.7176.699.900108.6
749E45Very low42.9Very low189 Ų189132.4 Ų132.488%0.88372%0.724SS**  trans-150.5128.1154.4-120.5175.216600109.8
750Q38.6Very low43.1Very low186 Ų186130.1 Ų130.187%0.86973%0.725SS**  trans-111.1128.9174.7-71.9-169.80.900110.5
751D34.9Very low43.2Very low148 Ų148134.2 Ų134.279%0.79173%0.733SS**  trans27.1110.7144.8-162.8-0.2000119.2
752S42Very low43Very low104 Ų104135.8 Ų135.873%0.72774%0.74SS**  trans-163.6131.8139.3-88.20000115.9
753T37.5Very low42.6Very low118 Ų118134.2 Ų134.272%0.72475%0.752SS**  trans7099.614954.90000122
754Q38.6Very low42.2Very low132 Ų132134 Ų13462%0.61776%0.757SS**  46.6111.7125.3-63-178.3-26.600120.5I581I581-Q754 HydrophobicContact CD1-CB 3.96Å; I581-Q754 HydrophobicContact CD1-CG 3.96Å; I581-Q754 HydrophobicContact CG1-CG 4.41Å; I581-Q754 HydrophobicContact CG2-CG 4.19Å; I581-Q754 VanDerWaalsContact CG2-NE2 3.34Å
755A39.7Very low41.5Very low76 Ų76133.9 Ų133.963%0.62877%0.767SS**  160.2135.899.600000114I581I581-A755 HydrophobicContact CD1-CB 4.36Å
756T41.2Very low41.1Very low106 Ų106132.3 Ų132.365%0.6577%0.765SS**  trans10186.6159.1-40.60000115.4E580E580-T756 VanDerWaalsContact OE2-C 3.23Å; E580-T756 WeakPolarHBondContact OE2-CA 3.47Å; E580-T756 PolarHBondContact OE2-N 2.94Å
757T39.1Very low40.8Very low62 Ų62133 Ų13338%0.3877%0.768SS.*  146.298.495.4-1090000118.6S578 E580S578-T757 VanDerWaalsContact C-OG1 3.31Å; S578-T757 VanDerWaalsContact CB-C 3.49Å; S578-T757 VanDerWaalsContact CB-CB 3.4Å; S578-T757 WeakPolarHBondContact CB-OG1 3.47Å; S578-T757 PolarHBondContact O-OG1 3.37Å; E580-T757 PolarHBondContact OE2-N 2.68Å
758Q45.5Very low40.6Very low133 Ų133133 Ų13362%0.62177%0.768SS**  trans-97.2112170.9-73.916820.700116S578 E580S578-Q758 VanDerWaalsContact CA-O 3.32Å; S578-Q758 WeakPolarHBondContact CA-O 3.47Å; S578-Q758 VanDerWaalsContact CB-C 3.43Å; S578-Q758 WeakPolarHBondContact CB-O 3.37Å; S578-Q758 PolarHBondContact OG-O 3.2Å; E580-Q758 HydrophobicContact CB-CB 4.27Å; E580-Q758 HydrophobicContact CB-CG 4.02Å; E580-Q758 HydrophobicContact CG-CG 3.87Å
759Q47.4Very low40.4Very low133 Ų133132.3 Ų132.362%0.62177%0.769SS**  trans-173.669161.9-162.9-178.771.900112.2S578S578-Q759 WeakPolarHBondContact OG-CA 3.08Å; S578-Q759 WeakPolarHBondContact OG-CB 3.44Å; S578-Q759 PolarHBondContact OG-N 3.21Å
760A41.8Very low40.3Very low100 Ų100129.6 Ų129.683%0.82676%0.757SS**  trans-152.743.9175.400000113.9
761Q43.9Very low40.2Very low187 Ų187127.1 Ų127.187%0.87475%0.745SS**  trans-134.589.9172.3-70.2-172.1900111.2
762L41.2Very low40.9Very low181 Ų181125.8 Ų125.895%0.94874%0.744SS**  trans-172.376.2155.2-134.275.7000112.4
763A38.8Very low40.8Very low108 Ų108124.4 Ų124.489%0.89373%0.731SS**SBendtrans-168.638.6169.600000115.5
764A36.8Very low41.4Very low107 Ų107123.2 Ų123.288%0.88473%0.728SS**  trans-152.729.3176.700000114.1
765A37.3Very low42.2Very low110 Ų110126.6 Ų126.691%0.90974%0.741SS**  trans-101.287.2178.100000110.1
766A40.8Very low43.3Very low93 Ų93125 Ų12577%0.76973%0.728SS**  trans-144.1107.1170.800000109.8
767E36.9Very low44.9Very low191 Ų191130 Ų13089%0.89374%0.74SS**SBendtrans55.870150.3-159170.4-149.700118.4
768I42.9Very low46.9Very low151 Ų151130.5 Ų130.577%0.77474%0.739SS**  -140.791.7128.6-48180000108.5E770I768-E770 HydrophobicContact CG2-CB 3.8Å; I768-E770 HydrophobicContact CG2-CG 3.67Å; I768-E770 PolarHBondContact O-N 2.82Å
769D38.3Very low49Very low163 Ų163126.5 Ų126.587%0.87273%0.725SS**  trans-8665.6165.3-170.830.5000109.9E771D769-E771 PolarHBondContact O-N 2.89Å
770E42.8Very low51.2Low132 Ų132131.4 Ų131.462%0.61774%0.738SS**  trans-84.493.7169.1-93.6-80.8136.800108.2I768 K817I768-E770 HydrophobicContact CG2-CB 3.8Å; I768-E770 HydrophobicContact CG2-CG 3.67Å; I768-E770 PolarHBondContact O-N 2.82Å; E770-K817 IonicContact OE2-NZ 3.54Å; E770-K817 PolarHBondContact OE2-NZ 3.49Å
771E36Very low53.6Low135 Ų135130.7 Ų130.763%0.63173%0.727SS**  trans-37.2128.8171-176.7-168.3-162.200110.7D769 V773D769-E771 PolarHBondContact O-N 2.89Å; E771-V773 HydrophobicContact CB-CG2 4.17Å; E771-V773 HydrophobicContact CG-CG2 3.9Å; E771-V773 PolarHBondContact O-N 3.26Å; E771-V773 WeakPolarHBondContact OE2-CG2 3.45Å
772P50.4Low55.9Low119 Ų119124.1 Ų124.177%0.77370%0.696SS**  trans-76.650.9-178.233.2-36.7000112.2S774P772-S774 PolarHBondContact O-N 2.67Å
773V40.1Very low58.4Low75 Ų75122 Ų12246%0.45568%0.68SS.*THydrogen-bonded Turntrans-44.9105.6172.5176.70000109E771 K775E771-V773 HydrophobicContact CB-CG2 4.17Å; E771-V773 HydrophobicContact CG-CG2 3.9Å; E771-V773 PolarHBondContact O-N 3.26Å; E771-V773 WeakPolarHBondContact OE2-CG2 3.45Å; V773-K775 PolarHBondContact O-N 3.28Å
774S49.3Very low61.1Low93 Ų93124.9 Ų124.965%0.6567%0.672SS**THydrogen-bonded Turntrans18.493.5177.560.40000115P772 A776P772-S774 PolarHBondContact O-N 2.67Å; S774-A776 PolarHBondContact O-N 2.9Å
775K56.5Low63.9Low203 Ų203121.2 Ų121.288%0.88364%0.642SS**  trans-64.874.2145.1-76176.5-179.8164.80107.9V773 K777V773-K775 PolarHBondContact O-N 3.28Å; K775-K777 PolarHBondContact O-N 3.39Å
776A62.4Low66.6Low44 Ų44117.6 Ų117.636%0.36460%0.604SS.*  trans-47.4127.7175.400000107.6S774 Q778 E834S774-A776 PolarHBondContact O-N 2.9Å; A776-Q778 WeakPolarHBondContact O-CA 3.33Å; A776-Q778 PolarHBondContact O-N 3.38Å; A776-E834 VanDerWaalsContact CB-OE1 3.3Å; A776-E834 WeakPolarHBondContact CB-OE1 3.2Å
777K74.1Confident69.2Low209 Ų209121.2 Ų121.291%0.90960%0.603SS**  trans-5891.5-148.3-174.7176.6-179.4175.60112K775 S779K775-K777 PolarHBondContact O-N 3.39Å; K777-S779 PolarHBondContact O-N 3.16Å; K777-S779 VanDerWaalsContact O-N 3.09Å
778Q82.3Confident72.1Confident74 Ų74114 Ų11435%0.34658%0.576SS.*  trans-45.8116.5-164.1-167.3-162.920.200110.8A776 E782 K783A776-Q778 WeakPolarHBondContact O-CA 3.33Å; A776-Q778 PolarHBondContact O-N 3.38Å; Q778-E782 HydrophobicContact CG-CB 4.49Å; Q778-E782 HydrophobicContact CG-CG 4.06Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.25Å; Q778-E782 WeakPolarHBondContact CG-OE2 3.38Å; Q778-K783 HydrophobicContact CG-CB 4.46Å
779S90.1Very high74.6Confident49 Ų49108.7 Ų108.734%0.34355%0.548SS..  trans-68.5149-167.666.40000110.9K777 S781 E782 K783K777-S779 PolarHBondContact O-N 3.16Å; K777-S779 VanDerWaalsContact O-N 3.09Å; S779-S781 PolarHBondContact O-N 2.98Å; S779-S781 PolarHBondContact OG-OG 3.47Å; S779-E782 PolarHBondContact N-OE2 3.1Å; S779-E782 PolarHBondContact O-N 3.4Å; S779-E782 VanDerWaalsContact O-N 3.13Å; S779-E782 WeakPolarHBondContact OG-CB 3.45Å; S779-E782 PolarHBondContact OG-N 2.92Å; S779-E782 PolarHBondContact OG-OE2 2.79Å; S779-K783 PolarHBondContact O-N 3.49Å
780R93.1Very high77.2Confident235 Ų235104 Ų10489%0.88753%0.528SS*.Hα-helixtrans-59.6-33.7-179.3-172.2-179.6-179.8-169.11.6111.6K784R780-K784 WeakPolarHBondContact O-CB 3.46Å; R780-K784 PolarHBondContact O-N 3.07Å; R780-K784 VanDerWaalsContact O-N 3.15Å
781S92.4Very high79.7Confident85 Ų85107 Ų10759%0.59454%0.539SS*.Hα-helixtrans-65.8-51.1172.436.70000112S779 K784 A785S779-S781 PolarHBondContact O-N 2.98Å; S779-S781 PolarHBondContact OG-OG 3.47Å; S781-K784 WeakPolarHBondContact O-CB 3.38Å; S781-K784 PolarHBondContact O-N 3.01Å; S781-A785 WeakPolarHBondContact O-CB 3.12Å; S781-A785 PolarHBondContact O-N 3.24Å
782E92.1Very high82.6Confident50 Ų50106.8 Ų106.823%0.23454%0.542CS..Hα-helixtrans-60.1-44.8176.7177-164.3171.900112.5Q778 S779 K784 A785 R786 F832Q778-E782 HydrophobicContact CG-CB 4.49Å; Q778-E782 HydrophobicContact CG-CG 4.06Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.25Å; Q778-E782 WeakPolarHBondContact CG-OE2 3.38Å; S779-E782 PolarHBondContact N-OE2 3.1Å; S779-E782 PolarHBondContact O-N 3.4Å; S779-E782 VanDerWaalsContact O-N 3.13Å; S779-E782 WeakPolarHBondContact OG-CB 3.45Å; S779-E782 PolarHBondContact OG-N 2.92Å; S779-E782 PolarHBondContact OG-OE2 2.79Å; E782-K784 VanDerWaalsContact C-N 3.3Å; E782-K784 PolarHBondContact O-N 3.35Å; E782-A785 PolarHBondContact O-N 3.43Å; E782-R786 VanDerWaalsContact CG-NH2 3.3Å; E782-R786 WeakPolarHBondContact O-CB 3.49Å; E782-R786 PolarHBondContact O-N 2.79Å; E782-R786 IonicContact OE1-CZ 3.34Å; E782-R786 IonicContact OE1-NH1 3.58Å; E782-R786 IonicContact OE1-NH2 2.61Å; E782-R786 PolarHBondContact OE1-NH2 2.9Å; E782-F832 HydrophobicContact CG-CD1 4.23Å
783K93.1Very high84.7Confident137 Ų137103.1 Ų103.160%0.59653%0.525SS*.Hα-helixtrans-63.3-36.3176.3-170169.3-176169.60112Q778 S779 K787Q778-K783 HydrophobicContact CG-CB 4.46Å; S779-K783 PolarHBondContact O-N 3.49Å; K783-K787 PolarHBondContact O-N 3.37Å
784K95.7Very high87.4Confident168 Ų168101.1 Ų101.173%0.7351%0.512SS*.Hα-helixtrans-67.1-44.8171.8-175.9-175.6177.6-172.60111.2R780 S781 E782 K787 A788R780-K784 WeakPolarHBondContact O-CB 3.46Å; R780-K784 PolarHBondContact O-N 3.07Å; R780-K784 VanDerWaalsContact O-N 3.15Å; S781-K784 WeakPolarHBondContact O-CB 3.38Å; S781-K784 PolarHBondContact O-N 3.01Å; E782-K784 VanDerWaalsContact C-N 3.3Å; E782-K784 PolarHBondContact O-N 3.35Å; K784-K787 PolarHBondContact O-N 3.47Å; K784-A788 WeakPolarHBondContact O-CB 3.44Å; K784-A788 PolarHBondContact O-N 3.09Å
785A95.6Very high89.6Confident30 Ų30105.5 Ų105.525%0.24851%0.514CS..Hα-helixtrans-63.7-46.6179.200000111.7S781 E782 K787 A788 M789 F832S781-A785 WeakPolarHBondContact O-CB 3.12Å; S781-A785 PolarHBondContact O-N 3.24Å; E782-A785 PolarHBondContact O-N 3.43Å; A785-K787 PolarHBondContact O-N 2.93Å; A785-A788 CarbonylContact O-C 3.55Å; A785-A788 WeakPolarHBondContact O-CA 3.35Å; A785-A788 WeakPolarHBondContact O-CB 3.26Å; A785-A788 PolarHBondContact O-N 3.22Å; A785-M789 WeakPolarHBondContact O-CG 3.27Å; A785-M789 PolarHBondContact O-N 2.57Å; A785-F832 HydrophobicContact CB-CE1 3.77Å; A785-F832 HydrophobicContact CB-CZ 3.94Å
786R94.6Very high91.5Very high34 Ų34100.5 Ų100.513%0.12849%0.494CS..Hα-helixtrans-58.2-45.8177.4-163.3161.3-59.5149.415.8111.7E782 A788 M789 S790 D819 Y821E782-R786 VanDerWaalsContact CG-NH2 3.3Å; E782-R786 WeakPolarHBondContact O-CB 3.49Å; E782-R786 PolarHBondContact O-N 2.79Å; E782-R786 IonicContact OE1-CZ 3.34Å; E782-R786 IonicContact OE1-NH1 3.58Å; E782-R786 IonicContact OE1-NH2 2.61Å; E782-R786 PolarHBondContact OE1-NH2 2.9Å; R786-A788 VanDerWaalsContact C-N 3.32Å; R786-A788 PolarHBondContact O-N 2.74Å; R786-M789 PolarHBondContact O-N 2.86Å; R786-S790 PolarHBondContact O-N 3.16Å; R786-S790 VanDerWaalsContact O-N 3.12Å; R786-S790 PolarHBondContact O-OG 3.06Å; R786-D819 VanDerWaalsContact CD-OD2 3.29Å; R786-D819 WeakPolarHBondContact CD-OD2 3.19Å; R786-D819 IonicContact CZ-OD2 2.65Å; R786-D819 IonicContact NE-OD2 2.64Å; R786-D819 PolarHBondContact NE-OD2 3.5Å; R786-D819 IonicContact NH1-OD2 3.64Å; R786-D819 PolarHBondContact NH1-OD2 3.31Å; R786-Y821 WeakPolarHBondContact CD-OH 3.49Å; R786-Y821 HydrophobicContact CG-CE2 3.68Å; R786-Y821 WeakPolarHBondContact CG-OH 3.31Å
787K94.9Very high93.1Very high168 Ų168100.9 Ų100.973%0.7349%0.492SS*.Hα-helixtrans-65.5-31.7173.6-169.6168.4-176.2173.40113K783 K784 A785 K791K783-K787 PolarHBondContact O-N 3.37Å; K784-K787 PolarHBondContact O-N 3.47Å; A785-K787 PolarHBondContact O-N 2.93Å; K787-K791 WeakPolarHBondContact O-CB 3.41Å; K787-K791 PolarHBondContact O-N 3.43Å
788A96.6Very high94.1Very high40 Ų4096.8 Ų96.833%0.33149%0.485SS..Hα-helixtrans-69.5-43.4173.400000112.1K784 A785 R786 S790 K791 L792K784-A788 WeakPolarHBondContact O-CB 3.44Å; K784-A788 PolarHBondContact O-N 3.09Å; A785-A788 CarbonylContact O-C 3.55Å; A785-A788 WeakPolarHBondContact O-CA 3.35Å; A785-A788 WeakPolarHBondContact O-CB 3.26Å; A785-A788 PolarHBondContact O-N 3.22Å; R786-A788 VanDerWaalsContact C-N 3.32Å; R786-A788 PolarHBondContact O-N 2.74Å; A788-S790 PolarHBondContact O-N 3.44Å; A788-K791 CarbonylContact O-C 3.54Å; A788-K791 PolarHBondContact O-N 3.21Å; A788-L792 WeakPolarHBondContact O-CG 3.23Å; A788-L792 PolarHBondContact O-N 3.39Å
789M95.4Very high94.7Very high40 Ų4096.9 Ų96.920%0.19751%0.505CS..Hα-helixtrans-60.5-44.1176.7-62.3-39.6171.500111.6A785 R786 K791 L792 G793 L794 Y821 I830 F832A785-M789 WeakPolarHBondContact O-CG 3.27Å; A785-M789 PolarHBondContact O-N 2.57Å; R786-M789 PolarHBondContact O-N 2.86Å; M789-K791 PolarHBondContact O-N 2.93Å; M789-L792 PolarHBondContact O-N 3.34Å; M789-L792 HydrophobicContact SD-CD1 4.3Å; M789-G793 PolarHBondContact O-N 3.28Å; M789-L794 HydrophobicContact CB-CB 4.41Å; M789-L794 HydrophobicContact CB-CD1 3.99Å; M789-L794 HydrophobicContact CG-CD1 4.18Å; M789-L794 WeakPolarHBondContact O-CB 3.41Å; M789-L794 PolarHBondContact O-N 2.71Å; M789-L794 VanDerWaalsContact O-N 3.12Å; M789-L794 HydrophobicContact SD-CD1 3.73Å; M789-Y821 HydrophobicContact CB-CD1 4.14Å; M789-Y821 HydrophobicContact CB-CG 4.23Å; M789-I830 HydrophobicContact CE-CD1 3.77Å; M789-I830 HydrophobicContact CE-CG2 4.48Å; M789-I830 HydrophobicContact CG-CD1 4.28Å; M789-I830 HydrophobicContact SD-CD1 3.66Å; M789-F832 HydrophobicContact CE-CZ 4.36Å; M789-F832 HydrophobicContact CG-CE2 4.02Å; M789-F832 HydrophobicContact CG-CZ 3.91Å
790S94Very high95Very high64 Ų6496.7 Ų96.745%0.44850%0.502SS..Hα-helixtrans-60.4-41.1171.2-57.60000112.8R786 A788 L792 G793R786-S790 PolarHBondContact O-N 3.16Å; R786-S790 VanDerWaalsContact O-N 3.12Å; R786-S790 PolarHBondContact O-OG 3.06Å; A788-S790 PolarHBondContact O-N 3.44Å; S790-L792 VanDerWaalsContact C-N 3.32Å; S790-L792 PolarHBondContact O-N 2.95Å; S790-G793 PolarHBondContact O-N 2.81Å; S790-G793 VanDerWaalsContact O-N 3.16Å
791K96.2Very high95.2Very high194 Ų19490.6 Ų90.684%0.84349%0.491SS*.Hα-helixtrans-70.2-26.4178.3-174170.7179.9179.10113.2K787 A788 M789 G793K787-K791 WeakPolarHBondContact O-CB 3.41Å; K787-K791 PolarHBondContact O-N 3.43Å; A788-K791 CarbonylContact O-C 3.54Å; A788-K791 PolarHBondContact O-N 3.21Å; M789-K791 PolarHBondContact O-N 2.93Å; K791-G793 PolarHBondContact O-N 2.86Å
792L95.2Very high95.3Very high131 Ų13193.2 Ų93.269%0.68649%0.488SS*.THydrogen-bonded Turntrans-78.81.9172.3-69.4170.3000113.2A788 M789 S790 L794A788-L792 WeakPolarHBondContact O-CG 3.23Å; A788-L792 PolarHBondContact O-N 3.39Å; M789-L792 PolarHBondContact O-N 3.34Å; M789-L792 HydrophobicContact SD-CD1 4.3Å; S790-L792 VanDerWaalsContact C-N 3.32Å; S790-L792 PolarHBondContact O-N 2.95Å; L792-L794 VanDerWaalsContact C-N 3.32Å; L792-L794 HydrophobicContact CB-CG 4.41Å; L792-L794 PolarHBondContact O-N 3.2Å
793G94.9Very high95.5Very high42 Ų4292.2 Ų92.243%0.43349%0.485SS..THydrogen-bonded Turntrans78.910.5179.200000114.7M789 S790 K791 R795M789-G793 PolarHBondContact O-N 3.28Å; S790-G793 PolarHBondContact O-N 2.81Å; S790-G793 VanDerWaalsContact O-N 3.16Å; K791-G793 PolarHBondContact O-N 2.86Å; G793-R795 PolarHBondContact O-N 2.72Å
794L96.5Very high95.6Very high33 Ų3389.2 Ų89.217%0.17348%0.478CS..PPolyproline II helixtrans-69.9129.5171.9-52.2-177.3000109.1M789 L792 Y821 I830M789-L794 HydrophobicContact CB-CB 4.41Å; M789-L794 HydrophobicContact CB-CD1 3.99Å; M789-L794 HydrophobicContact CG-CD1 4.18Å; M789-L794 WeakPolarHBondContact O-CB 3.41Å; M789-L794 PolarHBondContact O-N 2.71Å; M789-L794 VanDerWaalsContact O-N 3.12Å; M789-L794 HydrophobicContact SD-CD1 3.73Å; L792-L794 VanDerWaalsContact C-N 3.32Å; L792-L794 HydrophobicContact CB-CG 4.41Å; L792-L794 PolarHBondContact O-N 3.2Å; L794-Y821 HydrophobicContact CB-CD1 4.49Å; L794-I830 HydrophobicContact CD1-CD1 3.57Å
795R95.4Very high95.6Very high186 Ų18685.7 Ų85.770%0.70247%0.466SS*.EExtended strand (participates in β ladder)trans-85.3127.3-176.4-66.5-176.3175.4-125.70.3109.6G793 Y821 K822G793-R795 PolarHBondContact O-N 2.72Å; R795-Y821 CarbonylContact O-C 3.53Å; R795-Y821 WeakPolarHBondContact O-CA 3.44Å; R795-K822 PolarHBondContact N-O 2.97Å; R795-K822 PolarHBondContact O-N 3.34Å
796Q96.4Very high95.6Very high97 Ų9792.4 Ų92.445%0.45349%0.485SS..EExtended strand (participates in β ladder)trans-65.7134.7171.1-164.6172.7-300109.3D819 V820 Y821Q796-D819 PolarHBondContact NE2-OD1 2.61Å; Q796-V820 CarbonylContact C-O 3.55Å; Q796-V820 WeakPolarHBondContact CA-O 3.47Å; Q796-Y821 HydrophobicContact CB-CD1 4.01Å; Q796-Y821 HydrophobicContact CB-CE1 3.56Å; Q796-Y821 HydrophobicContact CG-CD1 4.47Å; Q796-Y821 HydrophobicContact CG-CE1 3.87Å; Q796-Y821 HydrophobicContact CG-CE2 4.14Å; Q796-Y821 PolarHBondContact OE1-OH 3.28Å
797V96.4Very high95.5Very high52 Ų5298.6 Ų98.632%0.31551%0.513SS..EExtended strand (participates in β ladder)trans-99.1103.7176.7-173.30000107.4V800 V820 K822V797-V800 HydrophobicContact CB-CG2 4.24Å; V797-V800 HydrophobicContact CG1-CG2 3.76Å; V797-V820 HydrophobicContact CB-CB 4.28Å; V797-V820 HydrophobicContact CB-CG1 4.23Å; V797-V820 HydrophobicContact CG2-CG1 4.26Å; V797-V820 PolarHBondContact N-O 2.93Å; V797-K822 HydrophobicContact CG2-CB 3.76Å
798T95.7Very high95.3Very high124 Ų12493.3 Ų93.376%0.76150%0.497SS*.THydrogen-bonded Turntrans-75.5153.6178.848.60000111.6
799G95.3Very high94.9Very high76 Ų7699.2 Ų99.278%0.78452%0.516SS*.THydrogen-bonded Turntrans82.98175.200000116.2T801G799-T801 PolarHBondContact O-N 3.49Å
800V96.1Very high94.5Very high44 Ų44100.7 Ų100.727%0.26752%0.524SS..  trans-82.894.3176.6-169.80000110.8V797 V803 P818 V820V797-V800 HydrophobicContact CB-CG2 4.24Å; V797-V800 HydrophobicContact CG1-CG2 3.76Å; V800-V803 HydrophobicContact CG1-CG2 3.76Å; V800-P818 HydrophobicContact CB-CG 4.5Å; V800-P818 HydrophobicContact CG1-CG 3.98Å; V800-P818 WeakPolarHBondContact O-CD 3.22Å; V800-P818 WeakPolarHBondContact O-CG 3.17Å; V800-V820 HydrophobicContact CB-CG2 4.07Å; V800-V820 HydrophobicContact CG1-CG2 3.99Å; V800-V820 HydrophobicContact CG2-CB 4.3Å; V800-V820 HydrophobicContact CG2-CG2 4.21Å
801T95.9Very high94.5Very high107 Ų10799.8 Ų99.866%0.65651%0.514SS*.  trans-74.5-30.5-177-48.50000114.2G799 K817 P818G799-T801 PolarHBondContact O-N 3.49Å; T801-K817 WeakPolarHBondContact O-CA 3.47Å; T801-K817 PolarHBondContact O-N 2.86Å; T801-P818 WeakPolarHBondContact O-CD 3.41Å
802R95.7Very high94.4Very high141 Ų14191.9 Ų91.953%0.53248%0.481SS..EExtended strand (participates in β ladder)trans-150.2139-178.3-170.5-179.2-177.9169.14.2109.9T804 V814 I815 E838R802-T804 HydrophobicContact CG-CG2 4.09Å; R802-V814 HydrophobicContact CG-CG1 4.36Å; R802-I815 WeakPolarHBondContact CA-O 3.26Å; R802-E838 IonicContact NH2-OE2 2.95Å
803V96.8Very high94.4Very high29 Ų2988.4 Ų88.418%0.17646%0.46CS..EExtended strand (participates in β ladder)trans-115.8137.2165.7165.60000108.1V800 I805 I815 P818 V820 V831V800-V803 HydrophobicContact CG1-CG2 3.76Å; V803-I805 HydrophobicContact CG1-CG1 4.07Å; V803-I815 HydrophobicContact CB-CB 4.42Å; V803-I815 PolarHBondContact N-O 3.31Å; V803-I815 PolarHBondContact O-N 3.48Å; V803-P818 HydrophobicContact CB-CG 4.28Å; V803-P818 HydrophobicContact CG2-CB 4.41Å; V803-P818 HydrophobicContact CG2-CG 3.86Å; V803-V820 HydrophobicContact CG2-CG2 4.21Å; V803-V831 HydrophobicContact CB-CG1 4.34Å; V803-V831 HydrophobicContact CG1-CG1 4.38Å; V803-V831 HydrophobicContact CG1-CG2 4.47Å; V803-V831 HydrophobicContact CG2-CG1 4.22Å; V803-V831 HydrophobicContact CG2-CG2 4.46Å
804T95.4Very high94.4Very high74 Ų7486.7 Ų86.745%0.45444%0.441SS..EExtended strand (participates in β ladder)trans-132113.3177.550.80000110.7R802 F813 V814R802-T804 HydrophobicContact CG-CG2 4.09Å; T804-F813 CarbonylContact C-O 3.42Å; T804-F813 WeakPolarHBondContact CA-O 3.21Å; T804-V814 HydrophobicContact CG2-CG2 4.15Å
805I95.2Very high94.4Very high93 Ų9385.7 Ų85.748%0.47744%0.436SS..EExtended strand (participates in β ladder)trans-101.8106.9179.7-51.2174.3000108.3V803 K807 F813V803-I805 HydrophobicContact CG1-CG1 4.07Å; I805-K807 PolarHBondContact O-N 2.69Å; I805-F813 HydrophobicContact CB-CB 4.28Å; I805-F813 PolarHBondContact N-O 3.29Å; I805-F813 PolarHBondContact O-N 2.84Å
806R94.5Very high94.5Very high171 Ų17180.5 Ų80.565%0.64543%0.425SS*.EExtended strand (participates in β ladder)trans-81.4108.4179.1-174.8179-165.2-174.89.9110.1S808 K809 L812R806-S808 WeakPolarHBondContact CG-O 3.5Å; R806-S808 PolarHBondContact NE-O 2.91Å; R806-K809 PolarHBondContact NE-O 3.39Å; R806-K809 PolarHBondContact NH2-O 2.88Å; R806-L812 HydrophobicContact CB-CG 4.44Å; R806-L812 HydrophobicContact CG-CD1 4.17Å
807K92.8Very high94.3Very high165 Ų16581.1 Ų81.172%0.71743%0.426SS*.  trans-87.9-35.6178.4178.3178.3174.6-175.90112.6I805 I811 F813I805-K807 PolarHBondContact O-N 2.69Å; K807-I811 PolarHBondContact N-O 2.98Å; K807-F813 HydrophobicContact CB-CD2 4.23Å; K807-F813 HydrophobicContact CB-CE2 3.76Å; K807-F813 HydrophobicContact CD-CE2 3.77Å; K807-F813 HydrophobicContact CD-CZ 4.29Å; K807-F813 HydrophobicContact CG-CE2 4.37Å
808S90.7Very high94.3Very high56 Ų5679.3 Ų79.339%0.39242%0.415SS..SBendtrans-133.4-175.6175.981.90000110.4R806 N810 I811R806-S808 WeakPolarHBondContact CG-O 3.5Å; R806-S808 PolarHBondContact NE-O 2.91Å; S808-N810 PolarHBondContact O-N 3.39Å; S808-N810 PolarHBondContact OG-N 3.22Å; S808-I811 PolarHBondContact N-O 3.41Å; S808-I811 WeakPolarHBondContact OG-CB 3.34Å; S808-I811 WeakPolarHBondContact OG-CG1 3.44Å; S808-I811 PolarHBondContact OG-N 2.72Å; S808-I811 VanDerWaalsContact OG-N 3.08Å
809K88.4Confident94.3Very high165 Ų16575.5 Ų75.572%0.71739%0.39SS*.SBendtrans-57-36.4176.2-72.1-177179.5176.50112R806R806-K809 PolarHBondContact NE-O 3.39Å; R806-K809 PolarHBondContact NH2-O 2.88Å
810N87.9Confident94.3Very high70 Ų7072.1 Ų72.137%0.37435%0.354SS..SBendtrans-115.2-25-169.8-52.63000113.1S808 L840 S841S808-N810 PolarHBondContact O-N 3.39Å; S808-N810 PolarHBondContact OG-N 3.22Å; N810-L840 PolarHBondContact O-N 3.37Å; N810-S841 VanDerWaalsContact CB-OG 3.25Å; N810-S841 WeakPolarHBondContact CB-OG 3.12Å; N810-S841 PolarHBondContact ND2-OG 2.93Å
811I93.4Very high94.4Very high45 Ų4570.2 Ų70.223%0.23134%0.343CS..EExtended strand (participates in β ladder)trans-91.6118.2-177.4-53.2-60.4000111.5K807 S808 I837 D839K807-I811 PolarHBondContact N-O 2.98Å; S808-I811 PolarHBondContact N-O 3.41Å; S808-I811 WeakPolarHBondContact OG-CB 3.34Å; S808-I811 WeakPolarHBondContact OG-CG1 3.44Å; S808-I811 PolarHBondContact OG-N 2.72Å; S808-I811 VanDerWaalsContact OG-N 3.08Å; I811-I837 HydrophobicContact CG2-CG2 3.87Å; I811-D839 HydrophobicContact CD1-CB 3.6Å; I811-D839 WeakPolarHBondContact CD1-OD2 3.3Å
812L94.3Very high94.5Very high28 Ų2867.9 Ų67.915%0.14732%0.323CS..EExtended strand (participates in β ladder)trans-115.9135.7174.7-78.864.9000109.9R806 V814 E838 L840R806-L812 HydrophobicContact CB-CG 4.44Å; R806-L812 HydrophobicContact CG-CD1 4.17Å; L812-V814 HydrophobicContact CB-CG2 4.36Å; L812-E838 HydrophobicContact CB-CB 4.43Å; L812-E838 PolarHBondContact N-O 2.86Å; L812-E838 PolarHBondContact O-N 3.46Å; L812-L840 HydrophobicContact CD1-CD1 3.71Å; L812-L840 HydrophobicContact CD1-CG 4.21Å
813F95.1Very high94.5Very high59 Ų5962.1 Ų62.126%0.25930%0.304SS..EExtended strand (participates in β ladder)trans-90.1112.2162.3-63.8-88.6000108.7T804 I805 K807 K836 I837T804-F813 CarbonylContact C-O 3.42Å; T804-F813 WeakPolarHBondContact CA-O 3.21Å; I805-F813 HydrophobicContact CB-CB 4.28Å; I805-F813 PolarHBondContact N-O 3.29Å; I805-F813 PolarHBondContact O-N 2.84Å; K807-F813 HydrophobicContact CB-CD2 4.23Å; K807-F813 HydrophobicContact CB-CE2 3.76Å; K807-F813 HydrophobicContact CD-CE2 3.77Å; K807-F813 HydrophobicContact CD-CZ 4.29Å; K807-F813 HydrophobicContact CG-CE2 4.37Å; F813-K836 CarbonylContact C-O 3.54Å; F813-K836 WeakPolarHBondContact CA-O 3.19Å; F813-I837 HydrophobicContact CD1-CG1 3.96Å; F813-I837 HydrophobicContact CE1-CD1 3.93Å; F813-I837 HydrophobicContact CE1-CG1 3.74Å
814V95.7Very high94.5Very high6 Ų665 Ų654%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-99.5121.2-178.7178.30000109.5R802 T804 L812 T816 K836 E838R802-V814 HydrophobicContact CG-CG1 4.36Å; T804-V814 HydrophobicContact CG2-CG2 4.15Å; L812-V814 HydrophobicContact CB-CG2 4.36Å; V814-T816 HydrophobicContact CG1-CG2 4.15Å; V814-K836 PolarHBondContact N-O 2.93Å; V814-K836 PolarHBondContact O-N 3.43Å; V814-E838 HydrophobicContact CG2-CB 3.7Å; V814-E838 HydrophobicContact CG2-CG 4.42Å
815I96.1Very high94.4Very high11 Ų1166 Ų666%0.05634%0.34CS..EExtended strand (participates in β ladder)trans-113.2114.9170.3-52.9167.5000107.9R802 V803 P818 V831 A835R802-I815 WeakPolarHBondContact CA-O 3.26Å; V803-I815 HydrophobicContact CB-CB 4.42Å; V803-I815 PolarHBondContact N-O 3.31Å; V803-I815 PolarHBondContact O-N 3.48Å; I815-P818 HydrophobicContact CB-CB 4.45Å; I815-P818 HydrophobicContact CG2-CB 3.75Å; I815-V831 HydrophobicContact CD1-CB 4.47Å; I815-V831 HydrophobicContact CD1-CG1 3.64Å; I815-A835 HydrophobicContact CD1-CB 4.29Å; I815-A835 HydrophobicContact CG1-CB 3.82Å
816T95.9Very high94.5Very high77 Ų7764 Ų6447%0.47233%0.334SS..EExtended strand (participates in β ladder)trans-92.6137.8178.447.50000111.4V814 P818V814-T816 HydrophobicContact CG1-CG2 4.15Å; T816-P818 VanDerWaalsContact C-CD 3.48Å
817K93.6Very high94.5Very high111 Ų11161.8 Ų61.848%0.48334%0.335SS..SBendtrans46.551.6-174.2-54.7-165.9-175.4-169.10113.6E770 T801E770-K817 IonicContact OE2-NZ 3.54Å; E770-K817 PolarHBondContact OE2-NZ 3.49Å; T801-K817 WeakPolarHBondContact O-CA 3.47Å; T801-K817 PolarHBondContact O-N 2.86Å
818P96.2Very high94.7Very high13 Ų1357.8 Ų57.88%0.08432%0.324CS..  trans-71152.1-17829.7-35.3000114.1V800 T801 V803 I815 T816 V820 V831 F832V800-P818 HydrophobicContact CB-CG 4.5Å; V800-P818 HydrophobicContact CG1-CG 3.98Å; V800-P818 WeakPolarHBondContact O-CD 3.22Å; V800-P818 WeakPolarHBondContact O-CG 3.17Å; T801-P818 WeakPolarHBondContact O-CD 3.41Å; V803-P818 HydrophobicContact CB-CG 4.28Å; V803-P818 HydrophobicContact CG2-CB 4.41Å; V803-P818 HydrophobicContact CG2-CG 3.86Å; I815-P818 HydrophobicContact CB-CB 4.45Å; I815-P818 HydrophobicContact CG2-CB 3.75Å; T816-P818 VanDerWaalsContact C-CD 3.48Å; P818-V820 HydrophobicContact CB-CG2 4.11Å; P818-V820 HydrophobicContact CG-CG2 4.25Å; P818-V831 HydrophobicContact CB-CG1 3.82Å; P818-F832 WeakPolarHBondContact CA-O 3.38Å
819D95.3Very high95Very high44 Ų4460.9 Ų60.924%0.23533%0.328CS..EExtended strand (participates in β ladder)trans-101.4105.4170.1-128-23.2000109.6R786 Q796 F832R786-D819 VanDerWaalsContact CD-OD2 3.29Å; R786-D819 WeakPolarHBondContact CD-OD2 3.19Å; R786-D819 IonicContact CZ-OD2 2.65Å; R786-D819 IonicContact NE-OD2 2.64Å; R786-D819 PolarHBondContact NE-OD2 3.5Å; R786-D819 IonicContact NH1-OD2 3.64Å; R786-D819 PolarHBondContact NH1-OD2 3.31Å; Q796-D819 PolarHBondContact NE2-OD1 2.61Å; D819-F832 HydrophobicContact CB-CB 4.16Å; D819-F832 PolarHBondContact N-O 3.34Å; D819-F832 PolarHBondContact O-N 3.49Å
820V96.3Very high95.3Very high5 Ų555.6 Ų55.63%0.0331%0.307CS..EExtended strand (participates in β ladder)trans-106137.5-170.3-177.20000111.9Q796 V797 V800 V803 P818 Y829 I830 V831Q796-V820 CarbonylContact C-O 3.55Å; Q796-V820 WeakPolarHBondContact CA-O 3.47Å; V797-V820 HydrophobicContact CB-CB 4.28Å; V797-V820 HydrophobicContact CB-CG1 4.23Å; V797-V820 HydrophobicContact CG2-CG1 4.26Å; V797-V820 PolarHBondContact N-O 2.93Å; V800-V820 HydrophobicContact CB-CG2 4.07Å; V800-V820 HydrophobicContact CG1-CG2 3.99Å; V800-V820 HydrophobicContact CG2-CB 4.3Å; V800-V820 HydrophobicContact CG2-CG2 4.21Å; V803-V820 HydrophobicContact CG2-CG2 4.21Å; P818-V820 HydrophobicContact CB-CG2 4.11Å; P818-V820 HydrophobicContact CG-CG2 4.25Å; V820-Y829 HydrophobicContact CG1-CD1 4.13Å; V820-I830 WeakPolarHBondContact CA-O 3.39Å; V820-V831 HydrophobicContact CG1-CG2 4.4Å; V820-V831 HydrophobicContact CG2-CG1 4.2Å; V820-V831 HydrophobicContact CG2-CG2 4.19Å
821Y97.1Very high95.7Very high5 Ų554.4 Ų54.42%0.0230%0.303CS..EExtended strand (participates in β ladder)trans-123.9134174.3-69.9-97.2000110.2R786 M789 L794 R795 Q796 Y829 I830 F832R786-Y821 WeakPolarHBondContact CD-OH 3.49Å; R786-Y821 HydrophobicContact CG-CE2 3.68Å; R786-Y821 WeakPolarHBondContact CG-OH 3.31Å; M789-Y821 HydrophobicContact CB-CD1 4.14Å; M789-Y821 HydrophobicContact CB-CG 4.23Å; L794-Y821 HydrophobicContact CB-CD1 4.49Å; R795-Y821 CarbonylContact O-C 3.53Å; R795-Y821 WeakPolarHBondContact O-CA 3.44Å; Q796-Y821 HydrophobicContact CB-CD1 4.01Å; Q796-Y821 HydrophobicContact CB-CE1 3.56Å; Q796-Y821 HydrophobicContact CG-CD1 4.47Å; Q796-Y821 HydrophobicContact CG-CE1 3.87Å; Q796-Y821 HydrophobicContact CG-CE2 4.14Å; Q796-Y821 PolarHBondContact OE1-OH 3.28Å; Y821-Y829 CarbonylContact O-C 3.57Å; Y821-Y829 WeakPolarHBondContact O-CA 3.26Å; Y821-I830 PolarHBondContact N-O 2.89Å; Y821-I830 PolarHBondContact O-N 2.86Å; Y821-F832 AromaticContact CD2-CD2 3.88Å; Y821-F832 HydrophobicContact CD2-CD2 3.88Å; Y821-F832 AromaticContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CE2-CD2 4.04Å; Y821-F832 HydrophobicContact CE2-CE2 4.08Å
822K97.5Very high95.8Very high58 Ų5853.8 Ų53.825%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-111139.9174.3-164.2-168.5177.4169.90110.9R795 V797 D827 T828 Y829R795-K822 PolarHBondContact N-O 2.97Å; R795-K822 PolarHBondContact O-N 3.34Å; V797-K822 HydrophobicContact CG2-CB 3.76Å; K822-D827 WeakPolarHBondContact CE-OD1 3.06Å; K822-D827 IonicContact NZ-OD1 3.22Å; K822-D827 PolarHBondContact NZ-OD1 2.74Å; K822-T828 WeakPolarHBondContact CA-O 3.21Å; K822-Y829 HydrophobicContact CB-CD1 3.97Å; K822-Y829 HydrophobicContact CB-CE1 3.94Å; K822-Y829 HydrophobicContact CD-CD1 4.4Å; K822-Y829 HydrophobicContact CD-CE1 3.59Å; K822-Y829 VanDerWaalsContact CE-OH 3.25Å; K822-Y829 WeakPolarHBondContact CE-OH 3.35Å; K822-Y829 HydrophobicContact CG-CD1 3.85Å; K822-Y829 HydrophobicContact CG-CE1 3.54Å; K822-Y829 HydrophobicContact CG-CE2 4.45Å; K822-Y829 HydrophobicContact CG-CG 4.43Å; K822-Y829 PolarHBondContact NZ-OH 2.97Å; K822-Y829 VanDerWaalsContact NZ-OH 3.09Å
823S97.1Very high95.8Very high19 Ų1954.6 Ų54.613%0.13331%0.313CS..  trans-63.3134164.21710000111.3A825 S826 T828S823-A825 PolarHBondContact O-N 2.63Å; S823-A825 PolarHBondContact OG-N 3.3Å; S823-A825 VanDerWaalsContact OG-N 3.13Å; S823-S826 WeakPolarHBondContact CB-O 3.31Å; S823-S826 WeakPolarHBondContact CB-OG 3.48Å; S823-S826 PolarHBondContact OG-N 2.98Å; S823-S826 VanDerWaalsContact OG-N 3.11Å; S823-S826 PolarHBondContact OG-OG 2.91Å; S823-T828 PolarHBondContact N-O 3.38Å
824P95.6Very high95.7Very high89 Ų8957.8 Ų57.858%0.57833%0.329SS*.SBendtrans-74.5-11.5171.332.1-35.5000112.8
825A94.9Very high95.6Very high97 Ų9760.2 Ų60.280%0.80235%0.35SS*.SBendtrans-110-6.1-176.100000113.8S823S823-A825 PolarHBondContact O-N 2.63Å; S823-A825 PolarHBondContact OG-N 3.3Å; S823-A825 VanDerWaalsContact OG-N 3.13Å
826S95.8Very high95.5Very high49 Ų4965.9 Ų65.934%0.34337%0.374SS..SBendtrans-157157.3-177.759.30000111.5S823 T828S823-S826 WeakPolarHBondContact CB-O 3.31Å; S823-S826 WeakPolarHBondContact CB-OG 3.48Å; S823-S826 PolarHBondContact OG-N 2.98Å; S823-S826 VanDerWaalsContact OG-N 3.11Å; S823-S826 PolarHBondContact OG-OG 2.91Å; S826-T828 PolarHBondContact O-N 3.06Å; S826-T828 WeakPolarHBondContact OG-CB 3.42Å; S826-T828 PolarHBondContact OG-OG1 3.35Å
827D95.5Very high95.4Very high125 Ų12567.9 Ų67.967%0.66838%0.381SS*.SBendtrans-76.137.4171.3-72.4-69.7000113.3K822 Y829K822-D827 WeakPolarHBondContact CE-OD1 3.06Å; K822-D827 IonicContact NZ-OD1 3.22Å; K822-D827 PolarHBondContact NZ-OD1 2.74Å; D827-Y829 HydrophobicContact CB-CE2 4.35Å; D827-Y829 VanDerWaalsContact O-CD2 3.29Å; D827-Y829 WeakPolarHBondContact O-CD2 3.31Å; D827-Y829 WeakPolarHBondContact O-CE2 3.5Å
828T96.7Very high95.3Very high81 Ų8165.4 Ų65.450%0.49737%0.371SS..  trans-88.9122174.5-45.90000109.5K822 S823 S826K822-T828 WeakPolarHBondContact CA-O 3.21Å; S823-T828 PolarHBondContact N-O 3.38Å; S826-T828 PolarHBondContact O-N 3.06Å; S826-T828 WeakPolarHBondContact OG-CB 3.42Å; S826-T828 PolarHBondContact OG-OG1 3.35Å
829Y96.4Very high95.1Very high122 Ų12266.2 Ų66.248%0.47837%0.374SS..EExtended strand (participates in β ladder)trans-112.1132.2176.6-60.6-96.6000110V820 Y821 K822 D827V820-Y829 HydrophobicContact CG1-CD1 4.13Å; Y821-Y829 CarbonylContact O-C 3.57Å; Y821-Y829 WeakPolarHBondContact O-CA 3.26Å; K822-Y829 HydrophobicContact CB-CD1 3.97Å; K822-Y829 HydrophobicContact CB-CE1 3.94Å; K822-Y829 HydrophobicContact CD-CD1 4.4Å; K822-Y829 HydrophobicContact CD-CE1 3.59Å; K822-Y829 VanDerWaalsContact CE-OH 3.25Å; K822-Y829 WeakPolarHBondContact CE-OH 3.35Å; K822-Y829 HydrophobicContact CG-CD1 3.85Å; K822-Y829 HydrophobicContact CG-CE1 3.54Å; K822-Y829 HydrophobicContact CG-CE2 4.45Å; K822-Y829 HydrophobicContact CG-CG 4.43Å; K822-Y829 PolarHBondContact NZ-OH 2.97Å; K822-Y829 VanDerWaalsContact NZ-OH 3.09Å; D827-Y829 HydrophobicContact CB-CE2 4.35Å; D827-Y829 VanDerWaalsContact O-CD2 3.29Å; D827-Y829 WeakPolarHBondContact O-CD2 3.31Å; D827-Y829 WeakPolarHBondContact O-CE2 3.5Å
830I95.7Very high94.8Very high54 Ų5467.6 Ų67.628%0.27738%0.381SS..EExtended strand (participates in β ladder)trans-107.8119.4171.5-56.2-177.7000107M789 L794 V820 Y821 F832M789-I830 HydrophobicContact CE-CD1 3.77Å; M789-I830 HydrophobicContact CE-CG2 4.48Å; M789-I830 HydrophobicContact CG-CD1 4.28Å; M789-I830 HydrophobicContact SD-CD1 3.66Å; L794-I830 HydrophobicContact CD1-CD1 3.57Å; V820-I830 WeakPolarHBondContact CA-O 3.39Å; Y821-I830 PolarHBondContact N-O 2.89Å; Y821-I830 PolarHBondContact O-N 2.86Å; I830-F832 HydrophobicContact CG2-CD2 4.44Å; I830-F832 HydrophobicContact CG2-CE2 3.92Å; I830-F832 HydrophobicContact CG2-CZ 4.09Å
831V96.3Very high94.4Very high45 Ų4569 Ų6927%0.27339%0.391SS..EExtended strand (participates in β ladder)trans-109.9117.8-176.9-176.50000108.6V803 I815 P818 V820V803-V831 HydrophobicContact CB-CG1 4.34Å; V803-V831 HydrophobicContact CG1-CG1 4.38Å; V803-V831 HydrophobicContact CG1-CG2 4.47Å; V803-V831 HydrophobicContact CG2-CG1 4.22Å; V803-V831 HydrophobicContact CG2-CG2 4.46Å; I815-V831 HydrophobicContact CD1-CB 4.47Å; I815-V831 HydrophobicContact CD1-CG1 3.64Å; P818-V831 HydrophobicContact CB-CG1 3.82Å; V820-V831 HydrophobicContact CG1-CG2 4.4Å; V820-V831 HydrophobicContact CG2-CG1 4.2Å; V820-V831 HydrophobicContact CG2-CG2 4.19Å
832F95.3Very high93.9Very high31 Ų3174 Ų7414%0.13642%0.415CS..EExtended strand (participates in β ladder)trans-98.1135.6169.1-62.8-84.8000110.3E782 A785 M789 P818 D819 Y821 I830E782-F832 HydrophobicContact CG-CD1 4.23Å; A785-F832 HydrophobicContact CB-CE1 3.77Å; A785-F832 HydrophobicContact CB-CZ 3.94Å; M789-F832 HydrophobicContact CE-CZ 4.36Å; M789-F832 HydrophobicContact CG-CE2 4.02Å; M789-F832 HydrophobicContact CG-CZ 3.91Å; P818-F832 WeakPolarHBondContact CA-O 3.38Å; D819-F832 HydrophobicContact CB-CB 4.16Å; D819-F832 PolarHBondContact N-O 3.34Å; D819-F832 PolarHBondContact O-N 3.49Å; Y821-F832 AromaticContact CD2-CD2 3.88Å; Y821-F832 HydrophobicContact CD2-CD2 3.88Å; Y821-F832 AromaticContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CE2-CD2 4.04Å; Y821-F832 HydrophobicContact CE2-CE2 4.08Å; I830-F832 HydrophobicContact CG2-CD2 4.44Å; I830-F832 HydrophobicContact CG2-CE2 3.92Å; I830-F832 HydrophobicContact CG2-CZ 4.09Å
833G93.9Very high93.5Very high45 Ų4576 Ų7646%0.46443%0.425SS..SBendtrans152.6169.717600000111.1
834E91.9Very high93Very high127 Ų12778.1 Ų78.159%0.59344%0.444SS*.  trans-81.8123.1178.8-66.1176.1-178.700110.4A776A776-E834 VanDerWaalsContact CB-OE1 3.3Å; A776-E834 WeakPolarHBondContact CB-OE1 3.2Å
835A94.1Very high92.7Very high57 Ų5780.2 Ų80.247%0.47145%0.446SS..EExtended strand (participates in β ladder)trans-92106.917900000110.8I815I815-A835 HydrophobicContact CD1-CB 4.29Å; I815-A835 HydrophobicContact CG1-CB 3.82Å
836K94.1Very high92.4Very high130 Ų13081.6 Ų81.657%0.56544%0.439SS*.EExtended strand (participates in β ladder)trans-83.4141.8171-60.8-174.7179.2-176.30109.5F813 V814F813-K836 CarbonylContact C-O 3.54Å; F813-K836 WeakPolarHBondContact CA-O 3.19Å; V814-K836 PolarHBondContact N-O 2.93Å; V814-K836 PolarHBondContact O-N 3.43Å
837I93.9Very high92Very high119 Ų11980.8 Ų80.861%0.6144%0.435SS*.EExtended strand (participates in β ladder)trans-91.1121.5174.8-53.1-177.8000107.7I811 F813I811-I837 HydrophobicContact CG2-CG2 3.87Å; F813-I837 HydrophobicContact CD1-CG1 3.96Å; F813-I837 HydrophobicContact CE1-CD1 3.93Å; F813-I837 HydrophobicContact CE1-CG1 3.74Å
838E92.1Very high91.7Very high59 Ų5977.6 Ų77.628%0.27643%0.426SS..EExtended strand (participates in β ladder)trans-113.7119.4176.6-173111.7-135.400108.4R802 L812 V814 Q843R802-E838 IonicContact NH2-OE2 2.95Å; L812-E838 HydrophobicContact CB-CB 4.43Å; L812-E838 PolarHBondContact N-O 2.86Å; L812-E838 PolarHBondContact O-N 3.46Å; V814-E838 HydrophobicContact CG2-CB 3.7Å; V814-E838 HydrophobicContact CG2-CG 4.42Å; E838-Q843 PolarHBondContact OE1-NE2 3.07Å
839D92.5Very high91Very high29 Ų2976.5 Ų76.516%0.15543%0.426CS..EExtended strand (participates in β ladder)trans-105.6107.7174.2-173-6.3000110.2I811 S841 Q842 Q843I811-D839 HydrophobicContact CD1-CB 3.6Å; I811-D839 WeakPolarHBondContact CD1-OD2 3.3Å; D839-S841 PolarHBondContact O-N 2.7Å; D839-S841 VanDerWaalsContact OD1-CB 3.26Å; D839-S841 WeakPolarHBondContact OD1-CB 3.5Å; D839-S841 PolarHBondContact OD1-N 3.45Å; D839-S841 PolarHBondContact OD1-OG 2.88Å; D839-Q842 HydrophobicContact CB-CB 4.22Å; D839-Q842 HydrophobicContact CB-CG 4.09Å; D839-Q842 PolarHBondContact O-N 2.92Å; D839-Q842 PolarHBondContact OD2-NE2 3.41Å; D839-Q843 PolarHBondContact O-N 2.89Å; D839-Q843 VanDerWaalsContact O-N 3.07Å
840L89Confident90.5Very high73 Ų7376.9 Ų76.938%0.38243%0.432SS..Hα-helixtrans-61.7-21.3177.8-63.4172.5000112.8N810 L812 A844N810-L840 PolarHBondContact O-N 3.37Å; L812-L840 HydrophobicContact CD1-CD1 3.71Å; L812-L840 HydrophobicContact CD1-CG 4.21Å; L840-A844 VanDerWaalsContact O-CB 3.23Å; L840-A844 WeakPolarHBondContact O-CB 3.47Å; L840-A844 PolarHBondContact O-N 3.46Å; L840-A844 VanDerWaalsContact O-N 3.13Å
841S86.8Confident89.8Confident35 Ų3581.2 Ų81.225%0.24545%0.449CS..Hα-helixtrans-69.6-51174-210000111.1N810 D839 A844 Q845N810-S841 VanDerWaalsContact CB-OG 3.25Å; N810-S841 WeakPolarHBondContact CB-OG 3.12Å; N810-S841 PolarHBondContact ND2-OG 2.93Å; D839-S841 PolarHBondContact O-N 2.7Å; D839-S841 VanDerWaalsContact OD1-CB 3.26Å; D839-S841 WeakPolarHBondContact OD1-CB 3.5Å; D839-S841 PolarHBondContact OD1-N 3.45Å; D839-S841 PolarHBondContact OD1-OG 2.88Å; S841-A844 PolarHBondContact O-N 2.92Å; S841-Q845 WeakPolarHBondContact O-CG 3.21Å; S841-Q845 PolarHBondContact O-N 2.97Å
842Q87.9Confident88.9Confident111 Ų11187.1 Ų87.152%0.51947%0.471SS..Hα-helixtrans-66.5-42.6-177.6-66.6172.447.600110.3D839 A844 Q845 L846D839-Q842 HydrophobicContact CB-CB 4.22Å; D839-Q842 HydrophobicContact CB-CG 4.09Å; D839-Q842 PolarHBondContact O-N 2.92Å; D839-Q842 PolarHBondContact OD2-NE2 3.41Å; Q842-A844 VanDerWaalsContact C-N 3.32Å; Q842-A844 PolarHBondContact O-N 3.37Å; Q842-Q845 PolarHBondContact O-N 3.4Å; Q842-L846 WeakPolarHBondContact O-CB 3.23Å; Q842-L846 WeakPolarHBondContact O-CG 3.43Å; Q842-L846 PolarHBondContact O-N 3.48Å
843Q87.3Confident87.8Confident99 Ų9993.9 Ų93.946%0.46350%0.5SS..Hα-helixtrans-60.5-39.9173.9-174.7172.17400112.2E838 D839 A847E838-Q843 PolarHBondContact OE1-NE2 3.07Å; D839-Q843 PolarHBondContact O-N 2.89Å; D839-Q843 VanDerWaalsContact O-N 3.07Å; Q843-A847 WeakPolarHBondContact O-CB 3.34Å; Q843-A847 PolarHBondContact O-N 2.97Å
844A87.5Confident86.3Confident63 Ų6396.4 Ų96.452%0.52151%0.507SS..Hα-helixtrans-68.1-36.6175.700000113L840 S841 Q842 A848L840-A844 VanDerWaalsContact O-CB 3.23Å; L840-A844 WeakPolarHBondContact O-CB 3.47Å; L840-A844 PolarHBondContact O-N 3.46Å; L840-A844 VanDerWaalsContact O-N 3.13Å; S841-A844 PolarHBondContact O-N 2.92Å; Q842-A844 VanDerWaalsContact C-N 3.32Å; Q842-A844 PolarHBondContact O-N 3.37Å; A844-A848 VanDerWaalsContact O-CB 3.31Å; A844-A848 WeakPolarHBondContact O-CB 3.41Å; A844-A848 PolarHBondContact O-N 2.98Å
845Q89.3Confident84.5Confident133 Ų13398 Ų9862%0.62151%0.514SS*.Hα-helixtrans-67.5-47.5175.6-74.1169.1-26.600111.7S841 Q842 A848 A849S841-Q845 WeakPolarHBondContact O-CG 3.21Å; S841-Q845 PolarHBondContact O-N 2.97Å; Q842-Q845 PolarHBondContact O-N 3.4Å; Q845-A848 WeakPolarHBondContact O-CB 3.44Å; Q845-A848 PolarHBondContact O-N 3.02Å; Q845-A848 VanDerWaalsContact O-N 3.16Å; Q845-A849 PolarHBondContact O-N 3.16Å
846L87.8Confident82.5Confident126 Ų12697.7 Ų97.766%0.6652%0.516SS*.Hα-helixtrans-61.2-45.6176.2-68.9170.7000111.5Q842 A848 A849 E850Q842-L846 WeakPolarHBondContact O-CB 3.23Å; Q842-L846 WeakPolarHBondContact O-CG 3.43Å; Q842-L846 PolarHBondContact O-N 3.48Å; L846-A848 PolarHBondContact O-N 3.31Å; L846-A849 PolarHBondContact O-N 2.98Å; L846-E850 WeakPolarHBondContact O-CB 3.39Å; L846-E850 PolarHBondContact O-N 3.22Å
847A88.7Confident80.2Confident32 Ų3299.4 Ų99.426%0.26453%0.527SS..Hα-helixtrans-69.1-18.8176.900000113.8Q843 K851Q843-A847 WeakPolarHBondContact O-CB 3.34Å; Q843-A847 PolarHBondContact O-N 2.97Å; A847-K851 WeakPolarHBondContact O-CD 3.34Å; A847-K851 WeakPolarHBondContact O-CE 3.45Å; A847-K851 WeakPolarHBondContact O-CG 3.49Å
848A88.4Confident78Confident58 Ų5897.8 Ų97.848%0.47953%0.531SS..Hα-helixtrans-80.9-42.4169.800000111.3A844 Q845 L846 K851 F852A844-A848 VanDerWaalsContact O-CB 3.31Å; A844-A848 WeakPolarHBondContact O-CB 3.41Å; A844-A848 PolarHBondContact O-N 2.98Å; Q845-A848 WeakPolarHBondContact O-CB 3.44Å; Q845-A848 PolarHBondContact O-N 3.02Å; Q845-A848 VanDerWaalsContact O-N 3.16Å; L846-A848 PolarHBondContact O-N 3.31Å; A848-K851 PolarHBondContact O-N 2.9Å; A848-F852 PolarHBondContact O-N 2.76Å
849A83.1Confident75.9Confident59 Ų59101.4 Ų101.449%0.48856%0.556SS.*Hα-helixtrans-62.5-42.1175.600000112.1Q845 L846 K851 F852 K853Q845-A849 PolarHBondContact O-N 3.16Å; L846-A849 PolarHBondContact O-N 2.98Å; A849-K851 PolarHBondContact O-N 3.42Å; A849-F852 PolarHBondContact O-N 3.25Å; A849-K853 WeakPolarHBondContact O-CB 3.47Å; A849-K853 PolarHBondContact O-N 3.42Å
850E85.1Confident73.4Confident129 Ų129104.6 Ų104.660%0.60358%0.581SS**Hα-helixtrans-58.7-47173.7-174.2-176.5-168.900111.6L846 F852 K853 V854L846-E850 WeakPolarHBondContact O-CB 3.39Å; L846-E850 PolarHBondContact O-N 3.22Å; E850-F852 VanDerWaalsContact C-N 3.31Å; E850-F852 PolarHBondContact O-N 2.9Å; E850-K853 PolarHBondContact O-N 2.97Å; E850-V854 WeakPolarHBondContact O-CG2 3.41Å; E850-V854 PolarHBondContact O-N 2.96Å
851K81.8Confident71.3Confident146 Ų146108.2 Ų108.264%0.63560%0.601SS**Hα-helixtrans-65.7-31.9178.2-72.2169.9-167.8170.10113.1A847 A848 A849A847-K851 WeakPolarHBondContact O-CD 3.34Å; A847-K851 WeakPolarHBondContact O-CE 3.45Å; A847-K851 WeakPolarHBondContact O-CG 3.49Å; A848-K851 PolarHBondContact O-N 2.9Å; A849-K851 PolarHBondContact O-N 3.42Å
852F75.6Confident69.4Low169 Ų169113.5 Ų113.574%0.74163%0.625SS**Hα-helixtrans-71.4-43.7172.6-168.3-104.7000111.3A848 A849 E850 V854 Q855 G856A848-F852 PolarHBondContact O-N 2.76Å; A849-F852 PolarHBondContact O-N 3.25Å; E850-F852 VanDerWaalsContact C-N 3.31Å; E850-F852 PolarHBondContact O-N 2.9Å; F852-V854 PolarHBondContact O-N 3.21Å; F852-Q855 PolarHBondContact O-N 3.13Å; F852-Q855 VanDerWaalsContact O-N 3.16Å; F852-G856 PolarHBondContact O-N 2.73Å
853K74Confident67.3Low173 Ų173116.6 Ų116.675%0.75264%0.639SS**Hα-helixtrans-59.4-44177.5-170172.3-178.2175.80112.1A849 E850 Q855 G856A849-K853 WeakPolarHBondContact O-CB 3.47Å; A849-K853 PolarHBondContact O-N 3.42Å; E850-K853 PolarHBondContact O-N 2.97Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; K853-Q855 PolarHBondContact O-N 3.22Å; K853-G856 PolarHBondContact O-N 3.42Å
854V62.1Low65.2Low98 Ų98120.6 Ų120.659%0.59466%0.658SS**Hα-helixtrans-65.7-25.9178172.30000113E850 F852 G856E850-V854 WeakPolarHBondContact O-CG2 3.41Å; E850-V854 PolarHBondContact O-N 2.96Å; F852-V854 PolarHBondContact O-N 3.21Å; V854-G856 VanDerWaalsContact C-N 3.33Å
855Q54.2Low62.9Low159 Ų159124.6 Ų124.674%0.74367%0.671SS**Hα-helixtrans-80-11.8173.3-70.9-168.8-4.700113.8F852 K853F852-Q855 PolarHBondContact O-N 3.13Å; F852-Q855 VanDerWaalsContact O-N 3.16Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; K853-Q855 PolarHBondContact O-N 3.22Å
856G50.7Low60.4Low51 Ų51123.2 Ų123.253%0.52667%0.671SS.*G310 helixtrans-74.4-21.4173.100000114.4F852 K853 V854 A858F852-G856 PolarHBondContact O-N 2.73Å; K853-G856 PolarHBondContact O-N 3.42Å; V854-G856 VanDerWaalsContact C-N 3.33Å; G856-A858 PolarHBondContact O-N 2.95Å
857E46.6Very low58.2Low167 Ų167125.8 Ų125.878%0.7868%0.68SS**G310 helixtrans-89-0.2-171.1-145.4173.716200114
858A47.6Very low55.9Low84 Ų84130.3 Ų130.369%0.69470%0.704SS**G310 helixtrans-92.3-11.1-178.400000114.7G856G856-A858 PolarHBondContact O-N 2.95Å
859V48.5Very low53.9Low135 Ų135132.7 Ų132.782%0.81872%0.715SS**SBendtrans-141.162.3-176.6-164.20000111.4
860S40Very low51.7Low97 Ų97135.8 Ų135.868%0.67873%0.728SS**  trans-135.952.1178.450.10000112.9
861N43.8Very low49.6Very low148 Ų148135.5 Ų135.579%0.79174%0.735SS**  trans-124.3150156.5-1680.3000108.3
862I46.8Very low47.4Very low147 Ų147135.3 Ų135.375%0.75474%0.736SS**SBendtrans81.690.4-172.5-49.1169.6000114.6
863Q44.5Very low45.8Very low176 Ų176134.8 Ų134.882%0.82274%0.736SS**  77.195.7129.8-162.2165.8-4.100121.2
864E42.4Very low44Very low183 Ų183135.4 Ų135.486%0.85574%0.742SS**  trans-18.2122.9137.4178.7-170.6170.500116.9
865N40.4Very low43Very low146 Ų146134.6 Ų134.678%0.78174%0.741SS**  171.1153.9125.2-167.510.5000112.2
866T37.2Very low42.5Very low104 Ų104133.2 Ų133.264%0.63873%0.734SS**  trans8789.6158.4-34.70000120.6
867Q41.4Very low42.1Very low180 Ų180138.9 Ų138.984%0.84175%0.747SS**  70.6129.2125.3-149.8163.61300122.9
868T38.9Very low42.6Very low127 Ų127136.4 Ų136.478%0.77974%0.736SS**  trans-70.3165.8173.434.90000113.8
869P47.6Very low43Very low109 Ų109141.6 Ų141.671%0.70875%0.745SS**  -156.5-17255.745-22.5000120.5
870T36.1Very low43.8Very low123 Ų123136.4 Ų136.476%0.75571%0.714SS**  trans74.6104.3165.345.70000117.3
871V40.9Very low45.6Very low124 Ų124135.5 Ų135.575%0.75270%0.701SS**  90.7130.482.51490000110.5
872Q37.2Very low47.6Very low141 Ų141131.9 Ų131.966%0.65968%0.68SS**  cis-163.81685.7-113.8177.6-36.500108.6
873E40.6Very low49.3Very low159 Ų159130.1 Ų130.174%0.74368%0.676SS**  cis-160.5-177.1-10-160.3136.9-105.300109.9
874E37.2Very low51.2Low185 Ų185124.7 Ų124.786%0.86467%0.667SS**  trans45.777.3160.9-156.2170.9-149.400120.5
875S40Very low53.6Low82 Ų82116.6 Ų116.657%0.57363%0.63SS**  -162.694.8101.8-168.10000109.6E877S875-E877 VanDerWaalsContact C-N 3.29Å; S875-E877 PolarHBondContact O-N 3.41Å; S875-E877 PolarHBondContact OG-OE1 3.23Å
876E43.4Very low56.1Low129 Ų129114 Ų11460%0.60361%0.614SS**  trans-93.260.1175.4-162.5179.3119.600110.1E878 R906E876-E878 HydrophobicContact CG-CB 4.32Å; E876-E878 PolarHBondContact O-N 2.89Å; E876-R906 IonicContact OE1-CZ 3.65Å; E876-R906 IonicContact OE1-NH1 2.86Å; E876-R906 PolarHBondContact OE1-NH1 3.26Å; E876-R906 IonicContact OE1-NH2 2.57Å; E876-R906 PolarHBondContact OE1-NH2 3.45Å
877E43.3Very low58.8Low170 Ų170113 Ų11379%0.79461%0.607SS**  trans-77.452.616559.5-159.9116.200110.9S875S875-E877 VanDerWaalsContact C-N 3.29Å; S875-E877 PolarHBondContact O-N 3.41Å; S875-E877 PolarHBondContact OG-OE1 3.23Å
878E56.1Low61.4Low116 Ų116110.9 Ų110.954%0.54260%0.595SS.*  trans-63.4133.5164.2-177.7177.4-12600108.7E876 V880 R906E876-E878 HydrophobicContact CG-CB 4.32Å; E876-E878 PolarHBondContact O-N 2.89Å; E878-V880 HydrophobicContact CB-CG2 4.36Å; E878-V880 HydrophobicContact CG-CG2 4.39Å; E878-V880 PolarHBondContact O-N 3.17Å; E878-R906 IonicContact OE2-NH2 2.63Å; E878-R906 PolarHBondContact OE2-NH2 2.93Å
879E56.1Low64.2Low193 Ų193106.2 Ų106.290%0.90257%0.565SS**  trans-72.976.1174.2-169175.4179.100109.1D881E879-D881 PolarHBondContact O-N 3.07Å
880V66.9Low66.5Low26 Ų26101.1 Ų101.116%0.15853%0.532CS..  trans-65.999.2-177.2-1740000109.1E878 E882 A902 V905E878-V880 HydrophobicContact CB-CG2 4.36Å; E878-V880 HydrophobicContact CG-CG2 4.39Å; E878-V880 PolarHBondContact O-N 3.17Å; V880-E882 PolarHBondContact O-N 3.09Å; V880-A902 HydrophobicContact CB-CB 4.43Å; V880-A902 HydrophobicContact CG2-CB 3.72Å; V880-V905 HydrophobicContact CB-CG1 4.47Å; V880-V905 HydrophobicContact CG1-CB 4.04Å; V880-V905 HydrophobicContact CG1-CG1 3.57Å
881D76.9Confident69.4Low77 Ų77101.2 Ų101.241%0.41252%0.524SS..  trans-35.6121.7176.4164.253.7000112.5E879 T883 K909E879-D881 PolarHBondContact O-N 3.07Å; D881-T883 VanDerWaalsContact C-N 3.33Å; D881-T883 WeakPolarHBondContact OD1-CB 3.42Å; D881-T883 PolarHBondContact OD1-N 2.78Å; D881-T883 PolarHBondContact OD1-OG1 2.87Å; D881-K909 WeakPolarHBondContact O-CE 3.33Å; D881-K909 PolarHBondContact O-NZ 3.2Å; D881-K909 IonicContact OD2-NZ 2.69Å; D881-K909 PolarHBondContact OD2-NZ 2.73Å
882E84.9Confident72.1Confident73 Ų7398.8 Ų98.834%0.34151%0.506SS..  trans-88.6-3.4179.8-65.8174.6-157.600112.2V880 G884 V885 R901 V905V880-E882 PolarHBondContact O-N 3.09Å; E882-G884 PolarHBondContact O-N 2.85Å; E882-V885 PolarHBondContact O-N 2.85Å; E882-R901 VanDerWaalsContact CD-CZ 3.41Å; E882-R901 VanDerWaalsContact CD-NH2 3.33Å; E882-R901 IonicContact OE1-CZ 3.73Å; E882-R901 IonicContact OE1-NE 3.2Å; E882-R901 IonicContact OE1-NH1 2.67Å; E882-R901 PolarHBondContact OE1-NH1 2.79Å; E882-R901 IonicContact OE1-NH2 3.07Å; E882-R901 PolarHBondContact OE1-NH2 2.85Å; E882-R901 IonicContact OE2-CZ 3.2Å; E882-R901 VanDerWaalsContact OE2-CZ 3.22Å; E882-R901 IonicContact OE2-NH1 2.71Å; E882-R901 PolarHBondContact OE2-NH1 2.75Å; E882-R901 IonicContact OE2-NH2 2.72Å; E882-R901 PolarHBondContact OE2-NH2 3.26Å; E882-V905 HydrophobicContact CG-CG2 4.35Å
883T82.9Confident74.9Confident109 Ų10992.1 Ų92.167%0.66948%0.475SS*.THydrogen-bonded Turntrans-60.7122.4-178.8-52.60000111D881D881-T883 VanDerWaalsContact C-N 3.33Å; D881-T883 WeakPolarHBondContact OD1-CB 3.42Å; D881-T883 PolarHBondContact OD1-N 2.78Å; D881-T883 PolarHBondContact OD1-OG1 2.87Å
884G85.1Confident77.6Confident62 Ų6287.6 Ų87.664%0.63946%0.455SS*.THydrogen-bonded Turntrans885.6177.500000115.6E882 N913E882-G884 PolarHBondContact O-N 2.85Å; G884-N913 PolarHBondContact O-ND2 2.9Å
885V91.6Very high80.4Confident14 Ų1483 Ų839%0.08544%0.443CS..SBendtrans-116138.5173.2-169.90000109.2E882 I890 V905 L908 K909E882-V885 PolarHBondContact O-N 2.85Å; V885-I890 HydrophobicContact CB-CD1 4.01Å; V885-I890 HydrophobicContact CB-CG1 4.43Å; V885-I890 HydrophobicContact CG1-CD1 3.69Å; V885-I890 HydrophobicContact CG1-CG1 3.56Å; V885-V905 HydrophobicContact CG2-CG1 4.28Å; V885-L908 HydrophobicContact CG1-CB 3.72Å; V885-L908 HydrophobicContact CG1-CD1 3.64Å; V885-L908 HydrophobicContact CG1-CG 4.28Å; V885-K909 HydrophobicContact CG2-CD 4.19Å; V885-K909 HydrophobicContact CG2-CG 3.57Å
886E93.4Very high83.1Confident92 Ų9284.6 Ų84.643%0.4344%0.441SS..  trans-78.6131.6177.7-170.2168.6149.900111.6K888 D889 I890E886-K888 HydrophobicContact CG-CB 4.29Å; E886-K888 HydrophobicContact CG-CG 4.42Å; E886-K888 PolarHBondContact O-N 2.85Å; E886-K888 WeakPolarHBondContact OE1-CG 3.26Å; E886-K888 IonicContact OE1-NZ 2.68Å; E886-K888 PolarHBondContact OE1-NZ 2.58Å; E886-D889 HydrophobicContact CB-CB 4.38Å; E886-D889 WeakPolarHBondContact O-CB 3.49Å; E886-D889 PolarHBondContact O-N 3Å; E886-I890 WeakPolarHBondContact O-CG1 3.29Å; E886-I890 PolarHBondContact O-N 2.78Å
887V94.8Very high85.6Confident81 Ų8179.1 Ų79.149%0.49142%0.418SS..Hα-helixtrans-59.7-33.1-179.2-177.30000112.5I890 E891V887-I890 PolarHBondContact O-N 2.67Å; V887-E891 WeakPolarHBondContact O-CB 3.25Å; V887-E891 PolarHBondContact O-N 2.86Å
888K96Very high88Confident137 Ų13778.2 Ų78.260%0.59642%0.419SS*.Hα-helixtrans-65.6-38.7174.6-56.2-160.3-154.782.80112E886 E891 L892E886-K888 HydrophobicContact CG-CB 4.29Å; E886-K888 HydrophobicContact CG-CG 4.42Å; E886-K888 PolarHBondContact O-N 2.85Å; E886-K888 WeakPolarHBondContact OE1-CG 3.26Å; E886-K888 IonicContact OE1-NZ 2.68Å; E886-K888 PolarHBondContact OE1-NZ 2.58Å; K888-E891 PolarHBondContact O-N 2.83Å; K888-L892 WeakPolarHBondContact O-CB 3.44Å; K888-L892 PolarHBondContact O-N 3.17Å
889D96.6Very high89.9Confident29 Ų2973.8 Ų73.816%0.15540%0.4CS..Hα-helixtrans-69.7-40.5-180-60-6.7000109.6E886 L892 V893 L908 I915E886-D889 HydrophobicContact CB-CB 4.38Å; E886-D889 WeakPolarHBondContact O-CB 3.49Å; E886-D889 PolarHBondContact O-N 3Å; D889-L892 PolarHBondContact O-N 3.2Å; D889-V893 WeakPolarHBondContact O-CB 3.01Å; D889-V893 VanDerWaalsContact O-CG2 3.23Å; D889-V893 WeakPolarHBondContact O-CG2 3.03Å; D889-V893 PolarHBondContact O-N 2.71Å; D889-L908 HydrophobicContact CB-CD1 3.89Å; D889-L908 HydrophobicContact CB-CD2 4.13Å; D889-I915 HydrophobicContact CB-CD1 4.13Å; D889-I915 HydrophobicContact CB-CG1 4.04Å; D889-I915 VanDerWaalsContact CG-CD1 3.48Å; D889-I915 VanDerWaalsContact OD1-CD1 3.25Å; D889-I915 WeakPolarHBondContact OD1-CD1 3.1Å
890I96.6Very high91.7Very high1 Ų168.1 Ų68.11%0.00538%0.382CS..Hα-helixtrans-58.7-50.3172.9-63.4159.3000110.4V885 E886 V887 L892 V893 M894 R901 A904 V905 L908V885-I890 HydrophobicContact CB-CD1 4.01Å; V885-I890 HydrophobicContact CB-CG1 4.43Å; V885-I890 HydrophobicContact CG1-CD1 3.69Å; V885-I890 HydrophobicContact CG1-CG1 3.56Å; E886-I890 WeakPolarHBondContact O-CG1 3.29Å; E886-I890 PolarHBondContact O-N 2.78Å; V887-I890 PolarHBondContact O-N 2.67Å; I890-L892 VanDerWaalsContact C-N 3.31Å; I890-L892 PolarHBondContact O-N 3.4Å; I890-V893 PolarHBondContact O-N 3.2Å; I890-M894 HydrophobicContact CG2-CG 4.45Å; I890-M894 HydrophobicContact CG2-SD 4.02Å; I890-M894 WeakPolarHBondContact O-CB 3.41Å; I890-M894 WeakPolarHBondContact O-CG 3.38Å; I890-M894 PolarHBondContact O-N 2.88Å; I890-R901 HydrophobicContact CG2-CG 3.69Å; I890-A904 HydrophobicContact CG2-CB 4.15Å; I890-V905 HydrophobicContact CD1-CG2 3.6Å; I890-V905 HydrophobicContact CG1-CG2 3.78Å; I890-V905 HydrophobicContact CG2-CG2 3.96Å; I890-L908 HydrophobicContact CB-CD1 4.31Å; I890-L908 HydrophobicContact CG1-CD1 3.71Å
891E96.8Very high93.1Very high125 Ų12572.1 Ų72.158%0.58439%0.394SS*.Hα-helixtrans-61.1-39.3177.7-176175.2-162.300112.1V887 K888 S895V887-E891 WeakPolarHBondContact O-CB 3.25Å; V887-E891 PolarHBondContact O-N 2.86Å; K888-E891 PolarHBondContact O-N 2.83Å; E891-S895 VanDerWaalsContact O-CB 3.26Å; E891-S895 WeakPolarHBondContact O-CB 3.39Å; E891-S895 PolarHBondContact O-N 2.65Å; E891-S895 PolarHBondContact O-OG 2.79Å
892L96.9Very high93.9Very high74 Ų7469.8 Ų69.839%0.38739%0.385SS..Hα-helixtrans-70.9-40.1179.6-172.958.5000112.5K888 D889 I890 S895 Q896 I915K888-L892 WeakPolarHBondContact O-CB 3.44Å; K888-L892 PolarHBondContact O-N 3.17Å; D889-L892 PolarHBondContact O-N 3.2Å; I890-L892 VanDerWaalsContact C-N 3.31Å; I890-L892 PolarHBondContact O-N 3.4Å; L892-S895 PolarHBondContact O-N 3.22Å; L892-Q896 HydrophobicContact CD1-CG 4.35Å; L892-Q896 WeakPolarHBondContact O-CB 3.34Å; L892-Q896 WeakPolarHBondContact O-CG 3.46Å; L892-Q896 PolarHBondContact O-N 2.86Å; L892-I915 HydrophobicContact CD2-CD1 4.34Å; L892-I915 HydrophobicContact CD2-CG2 4Å; L892-I915 HydrophobicContact CG-CG2 4.3Å
893V96.9Very high94.3Very high0 Ų071.3 Ų71.30%039%0.391CS..Hα-helixtrans-67.2-45.4173.1172.70000110.6D889 I890 S895 Q896 A897 V899 A904 L908 I915 A918 I919 L922D889-V893 WeakPolarHBondContact O-CB 3.01Å; D889-V893 VanDerWaalsContact O-CG2 3.23Å; D889-V893 WeakPolarHBondContact O-CG2 3.03Å; D889-V893 PolarHBondContact O-N 2.71Å; I890-V893 PolarHBondContact O-N 3.2Å; V893-S895 VanDerWaalsContact C-N 3.29Å; V893-S895 PolarHBondContact O-N 3.15Å; V893-Q896 PolarHBondContact O-N 3.46Å; V893-A897 VanDerWaalsContact O-CB 3.31Å; V893-A897 WeakPolarHBondContact O-CB 3.36Å; V893-A897 PolarHBondContact O-N 2.96Å; V893-V899 HydrophobicContact CG1-CG2 4.32Å; V893-A904 HydrophobicContact CB-CB 4.03Å; V893-A904 HydrophobicContact CG1-CB 3.7Å; V893-L908 HydrophobicContact CG2-CD1 3.98Å; V893-L908 HydrophobicContact CG2-CD2 3.91Å; V893-L908 HydrophobicContact CG2-CG 3.96Å; V893-I915 HydrophobicContact CG2-CG2 3.96Å; V893-A918 HydrophobicContact CG2-CB 4.23Å; V893-I919 HydrophobicContact CB-CG1 4.43Å; V893-I919 HydrophobicContact CG2-CG1 4.03Å; V893-L922 HydrophobicContact CG1-CD1 3.47Å; V893-L922 VanDerWaalsContact CG1-CD1 3.47Å
894M96.9Very high94.9Very high64 Ų6466.1 Ų66.132%0.31536%0.359SS..Hα-helixtrans-55.8-44.8173.6-74.5176.165.100111.6I890 N898 V899 R901 A904I890-M894 HydrophobicContact CG2-CG 4.45Å; I890-M894 HydrophobicContact CG2-SD 4.02Å; I890-M894 WeakPolarHBondContact O-CB 3.41Å; I890-M894 WeakPolarHBondContact O-CG 3.38Å; I890-M894 PolarHBondContact O-N 2.88Å; M894-N898 WeakPolarHBondContact O-CA 3.39Å; M894-N898 PolarHBondContact O-N 3.13Å; M894-V899 PolarHBondContact O-N 3.2Å; M894-R901 HydrophobicContact CE-CB 4.12Å; M894-R901 VanDerWaalsContact SD-CA 3.53Å; M894-R901 HydrophobicContact SD-CB 3.64Å; M894-R901 HydrophobicContact SD-CG 3.75Å; M894-A904 HydrophobicContact CG-CB 3.66Å
895S96.5Very high95.4Very high89 Ų8963.3 Ų63.362%0.62233%0.329SS*.Hα-helixtrans-72.6-36.3-176.4-59.50000113.7E891 L892 V893E891-S895 VanDerWaalsContact O-CB 3.26Å; E891-S895 WeakPolarHBondContact O-CB 3.39Å; E891-S895 PolarHBondContact O-N 2.65Å; E891-S895 PolarHBondContact O-OG 2.79Å; L892-S895 PolarHBondContact O-N 3.22Å; V893-S895 VanDerWaalsContact C-N 3.29Å; V893-S895 PolarHBondContact O-N 3.15Å
896Q96.1Very high95.5Very high115 Ų11567.1 Ų67.154%0.53734%0.342SS..Hα-helixtrans-87.5-34-178.9-71.8-170.574.300113.4L892 V893 I919L892-Q896 HydrophobicContact CD1-CG 4.35Å; L892-Q896 WeakPolarHBondContact O-CB 3.34Å; L892-Q896 WeakPolarHBondContact O-CG 3.46Å; L892-Q896 PolarHBondContact O-N 2.86Å; V893-Q896 PolarHBondContact O-N 3.46Å; Q896-I919 HydrophobicContact CB-CD1 3.78Å; Q896-I919 HydrophobicContact CB-CG1 4.19Å; Q896-I919 HydrophobicContact CB-CG2 4.28Å; Q896-I919 HydrophobicContact CG-CD1 4.21Å
897A95.6Very high95.7Very high14 Ų1462.9 Ų62.912%0.11632%0.323CS..Hα-helixtrans-97.2-4.8179.500000114.2V893 V899 L922 T923V893-A897 VanDerWaalsContact O-CB 3.31Å; V893-A897 WeakPolarHBondContact O-CB 3.36Å; V893-A897 PolarHBondContact O-N 2.96Å; A897-V899 VanDerWaalsContact C-N 3.34Å; A897-V899 HydrophobicContact CB-CG1 3.96Å; A897-V899 HydrophobicContact CB-CG2 4.35Å; A897-V899 WeakPolarHBondContact O-CG1 3.41Å; A897-V899 PolarHBondContact O-N 3.22Å; A897-L922 HydrophobicContact CB-CB 3.65Å; A897-L922 HydrophobicContact CB-CD1 4.27Å; A897-T923 HydrophobicContact CB-CG2 3.66Å
898N94.4Very high95.7Very high152 Ų15259 Ų5981%0.81330%0.299SS*.THydrogen-bonded Turntrans54.147.4-178-161.4101.2000112.3M894M894-N898 WeakPolarHBondContact O-CA 3.39Å; M894-N898 PolarHBondContact O-N 3.13Å
899V95.5Very high95.7Very high22 Ų2256.3 Ų56.313%0.13329%0.287CS..  trans-113.6162-177-610000113.1V893 M894 A897 K903 A904 L922V893-V899 HydrophobicContact CG1-CG2 4.32Å; M894-V899 PolarHBondContact O-N 3.2Å; A897-V899 VanDerWaalsContact C-N 3.34Å; A897-V899 HydrophobicContact CB-CG1 3.96Å; A897-V899 HydrophobicContact CB-CG2 4.35Å; A897-V899 WeakPolarHBondContact O-CG1 3.41Å; A897-V899 PolarHBondContact O-N 3.22Å; V899-K903 HydrophobicContact CB-CB 4.22Å; V899-K903 HydrophobicContact CB-CD 4.13Å; V899-K903 HydrophobicContact CG1-CD 3.94Å; V899-A904 HydrophobicContact CG2-CB 3.9Å; V899-L922 HydrophobicContact CG1-CB 4.24Å; V899-L922 HydrophobicContact CG1-CD1 4.19Å; V899-L922 HydrophobicContact CG1-CD2 4.32Å; V899-L922 HydrophobicContact CG2-CD1 3.92Å
900S95.1Very high95.6Very high75 Ų7559.8 Ų59.852%0.52431%0.306SS..  trans-68155.5170.866.20000112.1A902 K903 A904S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.25Å; S900-K903 PolarHBondContact O-N 3.23Å; S900-A904 PolarHBondContact O-N 2.8Å
901R94.6Very high95.6Very high109 Ų10960.9 Ų60.941%0.41131%0.312SS..Hα-helixtrans-55.2-46.3-179-162.7178-166.1-147.9-0.1112.4E882 I890 M894 K903 A904 V905E882-R901 VanDerWaalsContact CD-CZ 3.41Å; E882-R901 VanDerWaalsContact CD-NH2 3.33Å; E882-R901 IonicContact OE1-CZ 3.73Å; E882-R901 IonicContact OE1-NE 3.2Å; E882-R901 IonicContact OE1-NH1 2.67Å; E882-R901 PolarHBondContact OE1-NH1 2.79Å; E882-R901 IonicContact OE1-NH2 3.07Å; E882-R901 PolarHBondContact OE1-NH2 2.85Å; E882-R901 IonicContact OE2-CZ 3.2Å; E882-R901 VanDerWaalsContact OE2-CZ 3.22Å; E882-R901 IonicContact OE2-NH1 2.71Å; E882-R901 PolarHBondContact OE2-NH1 2.75Å; E882-R901 IonicContact OE2-NH2 2.72Å; E882-R901 PolarHBondContact OE2-NH2 3.26Å; I890-R901 HydrophobicContact CG2-CG 3.69Å; M894-R901 HydrophobicContact CE-CB 4.12Å; M894-R901 VanDerWaalsContact SD-CA 3.53Å; M894-R901 HydrophobicContact SD-CB 3.64Å; M894-R901 HydrophobicContact SD-CG 3.75Å; R901-K903 VanDerWaalsContact C-N 3.33Å; R901-K903 PolarHBondContact O-N 3.35Å; R901-A904 PolarHBondContact O-N 3.15Å; R901-V905 VanDerWaalsContact O-CG2 3.27Å; R901-V905 WeakPolarHBondContact O-CG2 3.36Å; R901-V905 PolarHBondContact O-N 2.85Å
902A94.6Very high95.5Very high28 Ų2860.3 Ų60.323%0.23132%0.322CS..Hα-helixtrans-56.6-43.3175.700000112.6V880 S900 R906V880-A902 HydrophobicContact CB-CB 4.43Å; V880-A902 HydrophobicContact CG2-CB 3.72Å; S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.25Å; A902-R906 VanDerWaalsContact O-CB 3.26Å; A902-R906 WeakPolarHBondContact O-CB 3.39Å; A902-R906 PolarHBondContact O-N 3.05Å
903K93.8Very high95.3Very high106 Ų10659.5 Ų59.546%0.46132%0.318SS..Hα-helixtrans-69.9-37.3178.6-162-175.8-175.6-157.10111.9V899 S900 R901 A907 L922V899-K903 HydrophobicContact CB-CB 4.22Å; V899-K903 HydrophobicContact CB-CD 4.13Å; V899-K903 HydrophobicContact CG1-CD 3.94Å; S900-K903 PolarHBondContact O-N 3.23Å; R901-K903 VanDerWaalsContact C-N 3.33Å; R901-K903 PolarHBondContact O-N 3.35Å; K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 3.12Å; K903-L922 HydrophobicContact CD-CD2 3.84Å; K903-L922 HydrophobicContact CG-CD2 3.81Å
904A95.6Very high95.3Very high0 Ų063.4 Ų63.40%034%0.339CS..Hα-helixtrans-64.9-46.4173.100000112.6I890 V893 M894 V899 S900 R901 R906 A907 L908I890-A904 HydrophobicContact CG2-CB 4.15Å; V893-A904 HydrophobicContact CB-CB 4.03Å; V893-A904 HydrophobicContact CG1-CB 3.7Å; M894-A904 HydrophobicContact CG-CB 3.66Å; V899-A904 HydrophobicContact CG2-CB 3.9Å; S900-A904 PolarHBondContact O-N 2.8Å; R901-A904 PolarHBondContact O-N 3.15Å; A904-R906 PolarHBondContact O-N 3.08Å; A904-A907 PolarHBondContact O-N 2.8Å; A904-L908 WeakPolarHBondContact O-CB 3.19Å; A904-L908 WeakPolarHBondContact O-CG 3.42Å; A904-L908 PolarHBondContact O-N 2.8Å
905V95.3Very high95.2Very high2 Ų262.4 Ų62.41%0.01233%0.334CS..Hα-helixtrans-60.3-45175176.60000110.7V880 E882 V885 I890 R901 L908 K909V880-V905 HydrophobicContact CB-CG1 4.47Å; V880-V905 HydrophobicContact CG1-CB 4.04Å; V880-V905 HydrophobicContact CG1-CG1 3.57Å; E882-V905 HydrophobicContact CG-CG2 4.35Å; V885-V905 HydrophobicContact CG2-CG1 4.28Å; I890-V905 HydrophobicContact CD1-CG2 3.6Å; I890-V905 HydrophobicContact CG1-CG2 3.78Å; I890-V905 HydrophobicContact CG2-CG2 3.96Å; R901-V905 VanDerWaalsContact O-CG2 3.27Å; R901-V905 WeakPolarHBondContact O-CG2 3.36Å; R901-V905 PolarHBondContact O-N 2.85Å; V905-L908 PolarHBondContact O-N 3.4Å; V905-K909 HydrophobicContact CG1-CD 4.29Å; V905-K909 WeakPolarHBondContact O-CB 3.36Å; V905-K909 WeakPolarHBondContact O-CG 3.29Å; V905-K909 PolarHBondContact O-N 3.4Å
906R94.3Very high95.2Very high95 Ų9563.4 Ų63.436%0.35834%0.336SS..Hα-helixtrans-63.5-43.9178.7-167.2174.4-74.2169.6-1.7111.6E876 E878 A902 A904 K909 N910E876-R906 IonicContact OE1-CZ 3.65Å; E876-R906 IonicContact OE1-NH1 2.86Å; E876-R906 PolarHBondContact OE1-NH1 3.26Å; E876-R906 IonicContact OE1-NH2 2.57Å; E876-R906 PolarHBondContact OE1-NH2 3.45Å; E878-R906 IonicContact OE2-NH2 2.63Å; E878-R906 PolarHBondContact OE2-NH2 2.93Å; A902-R906 VanDerWaalsContact O-CB 3.26Å; A902-R906 WeakPolarHBondContact O-CB 3.39Å; A902-R906 PolarHBondContact O-N 3.05Å; A904-R906 PolarHBondContact O-N 3.08Å; R906-K909 PolarHBondContact O-N 2.84Å; R906-N910 WeakPolarHBondContact O-CB 3.44Å; R906-N910 PolarHBondContact O-N 3.01Å; R906-N910 PolarHBondContact O-OD1 3.27Å
907A95.9Very high95.2Very high3 Ų361.1 Ų61.13%0.02533%0.328CS..Hα-helixtrans-65.1-41.6175.300000112.8K903 A904 N910 N911 A918 L922K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 3.12Å; A904-A907 PolarHBondContact O-N 2.8Å; A907-N910 PolarHBondContact O-N 2.93Å; A907-N911 WeakPolarHBondContact O-CB 3.25Å; A907-N911 PolarHBondContact O-N 2.8Å; A907-N911 PolarHBondContact O-ND2 3.06Å; A907-A918 HydrophobicContact CB-CB 4.06Å; A907-L922 HydrophobicContact CB-CD1 3.47Å; A907-L922 VanDerWaalsContact CB-CD1 3.47Å; A907-L922 HydrophobicContact CB-CD2 4.13Å; A907-L922 HydrophobicContact CB-CG 3.82Å
908L96.4Very high95.3Very high0 Ų060.4 Ų60.40%032%0.322CS..Hα-helixtrans-63.9-44.8175.2-75.1162.8000111.4V885 D889 I890 V893 A904 V905 N910 N911 S912 N913 I915 A918V885-L908 HydrophobicContact CG1-CB 3.72Å; V885-L908 HydrophobicContact CG1-CD1 3.64Å; V885-L908 HydrophobicContact CG1-CG 4.28Å; D889-L908 HydrophobicContact CB-CD1 3.89Å; D889-L908 HydrophobicContact CB-CD2 4.13Å; I890-L908 HydrophobicContact CB-CD1 4.31Å; I890-L908 HydrophobicContact CG1-CD1 3.71Å; V893-L908 HydrophobicContact CG2-CD1 3.98Å; V893-L908 HydrophobicContact CG2-CD2 3.91Å; V893-L908 HydrophobicContact CG2-CG 3.96Å; A904-L908 WeakPolarHBondContact O-CB 3.19Å; A904-L908 WeakPolarHBondContact O-CG 3.42Å; A904-L908 PolarHBondContact O-N 2.8Å; V905-L908 PolarHBondContact O-N 3.4Å; L908-N910 PolarHBondContact O-N 3.41Å; L908-N911 CarbonylContact O-C 3.27Å; L908-N911 PolarHBondContact O-N 3.12Å; L908-N911 VanDerWaalsContact O-N 3.16Å; L908-S912 PolarHBondContact O-N 3.06Å; L908-S912 VanDerWaalsContact O-N 3.1Å; L908-N913 WeakPolarHBondContact O-CA 3.41Å; L908-N913 PolarHBondContact O-N 3.32Å; L908-I915 HydrophobicContact CD2-CG1 4.47Å; L908-A918 HydrophobicContact CD2-CB 3.97Å; L908-A918 HydrophobicContact CG-CB 4.22Å
909K95.2Very high95.4Very high79 Ų7954.3 Ų54.334%0.34329%0.289SS..Hα-helixtrans-60.1-44.2174.7-77.1-174.1164.4-178.70112.4D881 V885 V905 R906 N911 S912D881-K909 WeakPolarHBondContact O-CE 3.33Å; D881-K909 PolarHBondContact O-NZ 3.2Å; D881-K909 IonicContact OD2-NZ 2.69Å; D881-K909 PolarHBondContact OD2-NZ 2.73Å; V885-K909 HydrophobicContact CG2-CD 4.19Å; V885-K909 HydrophobicContact CG2-CG 3.57Å; V905-K909 HydrophobicContact CG1-CD 4.29Å; V905-K909 WeakPolarHBondContact O-CB 3.36Å; V905-K909 WeakPolarHBondContact O-CG 3.29Å; V905-K909 PolarHBondContact O-N 3.4Å; R906-K909 PolarHBondContact O-N 2.84Å; K909-N911 VanDerWaalsContact C-N 3.28Å; K909-N911 PolarHBondContact O-N 3.44Å; K909-S912 PolarHBondContact O-N 3.43Å
910N95.3Very high95.4Very high103 Ų10357.9 Ų57.955%0.55131%0.306SS*.Hα-helixtrans-58.1-40.9174.6-71.7-4.2000112R906 A907 L908 S912R906-N910 WeakPolarHBondContact O-CB 3.44Å; R906-N910 PolarHBondContact O-N 3.01Å; R906-N910 PolarHBondContact O-OD1 3.27Å; A907-N910 PolarHBondContact O-N 2.93Å; L908-N910 PolarHBondContact O-N 3.41Å; N910-S912 PolarHBondContact O-N 3.48Å
911N95.4Very high95.4Very high24 Ų2458.9 Ų58.913%0.12830%0.302CS..THydrogen-bonded Turntrans-93.217.1-175.7-69.2-72.8000114.2A907 L908 K909 N913 D914 N917 A918 E921A907-N911 WeakPolarHBondContact O-CB 3.25Å; A907-N911 PolarHBondContact O-N 2.8Å; A907-N911 PolarHBondContact O-ND2 3.06Å; L908-N911 CarbonylContact O-C 3.27Å; L908-N911 PolarHBondContact O-N 3.12Å; L908-N911 VanDerWaalsContact O-N 3.16Å; K909-N911 VanDerWaalsContact C-N 3.28Å; K909-N911 PolarHBondContact O-N 3.44Å; N911-N913 PolarHBondContact O-N 3.09Å; N911-D914 HydrophobicContact CB-CB 4.33Å; N911-D914 WeakPolarHBondContact O-CB 3.5Å; N911-D914 PolarHBondContact O-N 3.48Å; N911-N917 HydrophobicContact CB-CB 4.37Å; N911-N917 PolarHBondContact OD1-ND2 3.12Å; N911-A918 HydrophobicContact CB-CB 4.29Å; N911-E921 PolarHBondContact ND2-OE2 3.13Å
912S94.4Very high95.5Very high112 Ų11254.8 Ų54.878%0.78329%0.288SS*.THydrogen-bonded Turntrans54.435.9-179.3-54.60000113.8L908 K909 N910 D914L908-S912 PolarHBondContact O-N 3.06Å; L908-S912 VanDerWaalsContact O-N 3.1Å; K909-S912 PolarHBondContact O-N 3.43Å; N910-S912 PolarHBondContact O-N 3.48Å; S912-D914 VanDerWaalsContact C-N 3.33Å
913N93.8Very high95.4Very high57 Ų5757.2 Ų57.231%0.30530%0.3SS..THydrogen-bonded Turntrans6519.4-172-55.3-36.5000115.9G884 L908 N911 I915G884-N913 PolarHBondContact O-ND2 2.9Å; L908-N913 WeakPolarHBondContact O-CA 3.41Å; L908-N913 PolarHBondContact O-N 3.32Å; N911-N913 PolarHBondContact O-N 3.09Å; N913-I915 PolarHBondContact O-N 2.64Å; N913-I915 VanDerWaalsContact O-N 3.09Å
914D96.4Very high94.8Very high82 Ų8262.1 Ų62.144%0.43933%0.327SS..  trans-71.1102.9166.4-169.9-37.3000110.3N911 S912 V916 N917 A918N911-D914 HydrophobicContact CB-CB 4.33Å; N911-D914 WeakPolarHBondContact O-CB 3.5Å; N911-D914 PolarHBondContact O-N 3.48Å; S912-D914 VanDerWaalsContact C-N 3.33Å; D914-V916 VanDerWaalsContact C-N 3.28Å; D914-V916 PolarHBondContact O-N 2.88Å; D914-V916 WeakPolarHBondContact OD1-CA 3.35Å; D914-V916 WeakPolarHBondContact OD1-CB 3.43Å; D914-V916 PolarHBondContact OD1-N 3.42Å; D914-N917 HydrophobicContact CB-CB 4.1Å; D914-N917 PolarHBondContact O-N 3.02Å; D914-N917 PolarHBondContact OD1-N 3.46Å; D914-A918 WeakPolarHBondContact O-CB 3.39Å; D914-A918 PolarHBondContact O-N 3.16Å
915I95.7Very high94.8Very high44 Ų4465.2 Ų65.223%0.22634%0.343CS..Hα-helixtrans-57.2-39.9178.4-43.3177.8000111.7D889 L892 V893 L908 N913 I919D889-I915 HydrophobicContact CB-CD1 4.13Å; D889-I915 HydrophobicContact CB-CG1 4.04Å; D889-I915 VanDerWaalsContact CG-CD1 3.48Å; D889-I915 VanDerWaalsContact OD1-CD1 3.25Å; D889-I915 WeakPolarHBondContact OD1-CD1 3.1Å; L892-I915 HydrophobicContact CD2-CD1 4.34Å; L892-I915 HydrophobicContact CD2-CG2 4Å; L892-I915 HydrophobicContact CG-CG2 4.3Å; V893-I915 HydrophobicContact CG2-CG2 3.96Å; L908-I915 HydrophobicContact CD2-CG1 4.47Å; N913-I915 PolarHBondContact O-N 2.64Å; N913-I915 VanDerWaalsContact O-N 3.09Å; I915-I919 HydrophobicContact CG2-CD1 3.94Å; I915-I919 WeakPolarHBondContact O-CB 3.38Å; I915-I919 VanDerWaalsContact O-CG1 3.26Å; I915-I919 WeakPolarHBondContact O-CG1 3.47Å; I915-I919 PolarHBondContact O-N 3.47Å
916V95.9Very high94.8Very high109 Ų10968.5 Ų68.566%0.66136%0.361SS*.Hα-helixtrans-73.8-44-174.3-178.20000109.8D914 I919 M920D914-V916 VanDerWaalsContact C-N 3.28Å; D914-V916 PolarHBondContact O-N 2.88Å; D914-V916 WeakPolarHBondContact OD1-CA 3.35Å; D914-V916 WeakPolarHBondContact OD1-CB 3.43Å; D914-V916 PolarHBondContact OD1-N 3.42Å; V916-I919 PolarHBondContact O-N 2.85Å; V916-M920 WeakPolarHBondContact O-CB 3.15Å; V916-M920 PolarHBondContact O-N 3.12Å
917N96.3Very high94.8Very high67 Ų6767.1 Ų67.136%0.35836%0.361SS..Hα-helixtrans-70-35.3176.8-146.463.2000111.5N911 D914 M920 E921N911-N917 HydrophobicContact CB-CB 4.37Å; N911-N917 PolarHBondContact OD1-ND2 3.12Å; D914-N917 HydrophobicContact CB-CB 4.1Å; D914-N917 PolarHBondContact O-N 3.02Å; D914-N917 PolarHBondContact OD1-N 3.46Å; N917-M920 PolarHBondContact O-N 3.49Å; N917-M920 WeakPolarHBondContact OD1-CE 3.32Å; N917-E921 WeakPolarHBondContact O-CB 3.29Å; N917-E921 PolarHBondContact O-N 3.48Å
918A96.9Very high94.7Very high0 Ų070.8 Ų70.80%038%0.381CS..Hα-helixtrans-65.5-41173.600000113.2V893 A907 L908 N911 D914 L922V893-A918 HydrophobicContact CG2-CB 4.23Å; A907-A918 HydrophobicContact CB-CB 4.06Å; L908-A918 HydrophobicContact CD2-CB 3.97Å; L908-A918 HydrophobicContact CG-CB 4.22Å; N911-A918 HydrophobicContact CB-CB 4.29Å; D914-A918 WeakPolarHBondContact O-CB 3.39Å; D914-A918 PolarHBondContact O-N 3.16Å; A918-L922 WeakPolarHBondContact O-CB 3.34Å; A918-L922 WeakPolarHBondContact O-CD1 3.16Å; A918-L922 WeakPolarHBondContact O-CG 3.06Å; A918-L922 PolarHBondContact O-N 3.28Å
919I96.4Very high94.6Very high23 Ų2375.3 Ų75.312%0.11841%0.405CS..Hα-helixtrans-64.1-46.5172.1-69.6164.4000109.6V893 Q896 I915 V916 E921 L922 T923V893-I919 HydrophobicContact CB-CG1 4.43Å; V893-I919 HydrophobicContact CG2-CG1 4.03Å; Q896-I919 HydrophobicContact CB-CD1 3.78Å; Q896-I919 HydrophobicContact CB-CG1 4.19Å; Q896-I919 HydrophobicContact CB-CG2 4.28Å; Q896-I919 HydrophobicContact CG-CD1 4.21Å; I915-I919 HydrophobicContact CG2-CD1 3.94Å; I915-I919 WeakPolarHBondContact O-CB 3.38Å; I915-I919 VanDerWaalsContact O-CG1 3.26Å; I915-I919 WeakPolarHBondContact O-CG1 3.47Å; I915-I919 PolarHBondContact O-N 3.47Å; V916-I919 PolarHBondContact O-N 2.85Å; I919-E921 PolarHBondContact O-N 2.89Å; I919-L922 CarbonylContact O-C 3.54Å; I919-L922 WeakPolarHBondContact O-CA 3.27Å; I919-L922 PolarHBondContact O-N 2.89Å; I919-T923 HydrophobicContact CG2-CG2 3.97Å; I919-T923 PolarHBondContact O-N 3.48Å; I919-T923 PolarHBondContact O-OG1 2.99Å; I919-T923 VanDerWaalsContact O-OG1 3.07Å
920M96.6Very high94.6Very high98 Ų9875 Ų7548%0.48341%0.409SS..Hα-helixtrans-62.5-37.6-179.1-17217059.100113V916 N917 L922 M924V916-M920 WeakPolarHBondContact O-CB 3.15Å; V916-M920 PolarHBondContact O-N 3.12Å; N917-M920 PolarHBondContact O-N 3.49Å; N917-M920 WeakPolarHBondContact OD1-CE 3.32Å; M920-L922 PolarHBondContact O-N 2.79Å; M920-M924 HydrophobicContact CG-CG 3.99Å; M920-M924 VanDerWaalsContact O-CB 3.31Å; M920-M924 WeakPolarHBondContact O-CB 3.3Å; M920-M924 WeakPolarHBondContact O-CG 3.28Å; M920-M924 PolarHBondContact O-N 3.11Å
921E95.2Very high94.5Very high96 Ų9673 Ų7345%0.44940%0.399SS..Hα-helixtrans-64-27.5172.2-173.7-176.4152.600112.4N911 N917 I919N911-E921 PolarHBondContact ND2-OE2 3.13Å; N917-E921 WeakPolarHBondContact O-CB 3.29Å; N917-E921 PolarHBondContact O-N 3.48Å; I919-E921 PolarHBondContact O-N 2.89Å
922L95.5Very high94.5Very high22 Ų2276.8 Ų76.812%0.11542%0.419CS..Hα-helixtrans-98.9-14.8-174-67.5175.3000114.9V893 A897 V899 K903 A907 A918 I919 M920V893-L922 HydrophobicContact CG1-CD1 3.47Å; V893-L922 VanDerWaalsContact CG1-CD1 3.47Å; A897-L922 HydrophobicContact CB-CB 3.65Å; A897-L922 HydrophobicContact CB-CD1 4.27Å; V899-L922 HydrophobicContact CG1-CB 4.24Å; V899-L922 HydrophobicContact CG1-CD1 4.19Å; V899-L922 HydrophobicContact CG1-CD2 4.32Å; V899-L922 HydrophobicContact CG2-CD1 3.92Å; K903-L922 HydrophobicContact CD-CD2 3.84Å; K903-L922 HydrophobicContact CG-CD2 3.81Å; A907-L922 HydrophobicContact CB-CD1 3.47Å; A907-L922 VanDerWaalsContact CB-CD1 3.47Å; A907-L922 HydrophobicContact CB-CD2 4.13Å; A907-L922 HydrophobicContact CB-CG 3.82Å; A918-L922 WeakPolarHBondContact O-CB 3.34Å; A918-L922 WeakPolarHBondContact O-CD1 3.16Å; A918-L922 WeakPolarHBondContact O-CG 3.06Å; A918-L922 PolarHBondContact O-N 3.28Å; I919-L922 CarbonylContact O-C 3.54Å; I919-L922 WeakPolarHBondContact O-CA 3.27Å; I919-L922 PolarHBondContact O-N 2.89Å; M920-L922 PolarHBondContact O-N 2.79Å
923T92.9Very high94.5Very high80 Ų8073.8 Ų73.849%0.49139%0.389SS..Hα-helixtrans-111.83.2-179.761.40000114.8A897 I919A897-T923 HydrophobicContact CB-CG2 3.66Å; I919-T923 HydrophobicContact CG2-CG2 3.97Å; I919-T923 PolarHBondContact O-N 3.48Å; I919-T923 PolarHBondContact O-OG1 2.99Å; I919-T923 VanDerWaalsContact O-OG1 3.07Å
924M82.3Confident94.6Very high208 Ų20875.4 Ų75.4100%1.02540%0.397SS*.  trans-104.20179-70.7-68.6-57.500112.2M920M920-M924 HydrophobicContact CG-CG 3.99Å; M920-M924 VanDerWaalsContact O-CB 3.31Å; M920-M924 WeakPolarHBondContact O-CB 3.3Å; M920-M924 WeakPolarHBondContact O-CG 3.28Å; M920-M924 PolarHBondContact O-N 3.11Å

Retrieved 924 of 924 residues in 175.1 ms (Link to these results)