A0A087YIE3_POEFO Loading...

Nuclear receptor interacting protein 1b

AlphaFold DB , UniProt , Accession A0A087YIE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,058 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low41.8Very low224 Ų224140.4 Ų140.4100%1.10380%0.797SS**  0900-63.3173.477.900106.9
2T45.8Very low42.5Very low107 Ų107145.3 Ų145.366%0.65681%0.807SS**  cis56.3136.722.271.30000112
3H40.1Very low42.8Very low177 Ų177147.7 Ų147.782%0.81980%0.804SS**  cis-129.3172.416.9-60.7-103.4000109.4
4G38.2Very low42.9Very low79 Ų79148.5 Ų148.581%0.81481%0.808SS**  cis122.71040.200000111.9
5E42.3Very low42.9Very low194 Ų194147.1 Ų147.191%0.90781%0.813SS**  trans-137.8137.5169.4-175.6171.9-153.700108
6E37.2Very low43.1Very low171 Ų171143.6 Ų143.680%0.79981%0.809SS**  trans-103.6130.4-173.9-76.9-137.7147.600113.3
7P51.4Low43.4Very low128 Ų128142.6 Ų142.683%0.83181%0.807SS**  trans-78.2113.5146.9-2.922.2000108.6
8G37.5Very low43.4Very low53 Ų53144.5 Ų144.555%0.54681%0.813SS.*  trans-65.6169.4-177.600000114.8E10G8-E10 PolarHBondContact O-N 2.91Å; G8-E10 VanDerWaalsContact O-N 3.15Å
9P45.1Very low43.7Very low120 Ų120143.1 Ų143.178%0.77981%0.809SS**  trans-72.2107.6-167.327.9-35.6000113.7T11P9-T11 PolarHBondContact O-N 2.89Å
10E39.6Very low43.7Very low189 Ų189146.8 Ų146.888%0.88381%0.811SS**  trans-66.6107164.8-173.4170.3-166.800109.5G8 H12G8-E10 PolarHBondContact O-N 2.91Å; G8-E10 VanDerWaalsContact O-N 3.15Å; E10-H12 PolarHBondContact O-N 3.45Å
11T45.7Very low43.8Very low102 Ų102147.8 Ų147.863%0.62681%0.814SS**  trans-74.9118.1-170.7600000112.4P9 K13P9-T11 PolarHBondContact O-N 2.89Å; T11-K13 PolarHBondContact O-N 2.85Å; T11-K13 VanDerWaalsContact O-N 3.16Å
12H49.5Very low44.2Very low199 Ų199145.2 Ų145.292%0.92180%0.799SS**  trans-48.3117.7167.3-74.9-96.5000111.7E10E10-H12 PolarHBondContact O-N 3.45Å
13K47Very low44.2Very low177 Ų177143.7 Ų143.777%0.7781%0.805SS**  trans-136.817.6176.6-79.7-161.6174.4-176.50116.2T11T11-K13 PolarHBondContact O-N 2.85Å; T11-K13 VanDerWaalsContact O-N 3.16Å
14D43.5Very low44.6Very low159 Ų159142.8 Ų142.885%0.8581%0.805SS**  trans-109.470174.6-77-56.9000112.4
15S43.7Very low45.2Very low128 Ų128146.4 Ų146.490%0.89581%0.805SS**SBendtrans-155.939.5174.4-68.60000113
16A45.5Very low45.2Very low90 Ų90145 Ų14574%0.74480%0.801SS**SBendtrans-146.915.1-173.800000116.2
17V48Very low45.7Very low127 Ų127145.7 Ų145.777%0.7780%0.803SS**SBendtrans-117.4-14.7-171.7-173.90000113.8
18L43.2Very low45.4Very low177 Ų177145.1 Ų145.193%0.92780%0.8SS**THydrogen-bonded Turntrans-105.151.3-176.3-70.4172.9000113.2
19T48.8Very low45.3Very low118 Ų118146.1 Ų146.172%0.72480%0.795SS**THydrogen-bonded Turntrans-142.75.7177.4-31.90000113.9
20Y45Very low45.1Very low217 Ų217146.8 Ų146.885%0.85180%0.797SS**SBendtrans-104.44.9-174.9-146.8-97.4000115.3
21L45.2Very low45Very low167 Ų167140.1 Ų140.187%0.87477%0.774SS**SBendtrans-117.1-2.9-178.5-72.2173.5000114.9
22E46.2Very low44.5Very low170 Ų170138.7 Ų138.779%0.79478%0.779SS**SBendtrans-89.3-16179.3-162.5169.7-171.200113.1L24E22-L24 PolarHBondContact O-N 3.32Å
23G45.5Very low44.1Very low75 Ų75135.1 Ų135.177%0.77377%0.774SS**THydrogen-bonded Turntrans-79.6-6.1-170.600000117.5
24L48.3Very low43.4Very low158 Ų158129.6 Ų129.683%0.82777%0.767SS**THydrogen-bonded Turntrans-1023.2-165.5-81171.1000116.4E22E22-L24 PolarHBondContact O-N 3.32Å
25L51.5Low43.2Very low156 Ų156126.3 Ų126.382%0.81776%0.762SS**SBendtrans-116.913.4-165.2-145.772.4000116.9
26M42.1Very low42.9Very low165 Ų165127 Ų12781%0.81376%0.761SS**  trans-134.169-171.7-71.9-61.2-63.600115.4
27H48.4Very low42.2Very low184 Ų184127.4 Ų127.485%0.85276%0.764SS**  trans-128.2111.9161.1-78.7-7.3000110.9
28P43.8Very low41.3Very low116 Ų116125.4 Ų125.475%0.75377%0.769SS**  trans-78.5148.5173.333-33.6000110.9
29V36.6Very low40.6Very low74 Ų74120.4 Ų120.445%0.44876%0.761SS.*  trans-117.2134.9176.1-1560000109.3P960V29-P960 HydrophobicContact CB-CB 3.79Å; V29-P960 HydrophobicContact CG1-CB 3.54Å
30V39.5Very low39.6Very low135 Ų135126 Ų12682%0.81877%0.769SS**  trans-127.7144.4-178.91770000109.3
31A37.6Very low39Very low48 Ų48121.2 Ų121.240%0.39777%0.767SS.*  trans-99117.3-163.600000115.4P960 W962A31-P960 HydrophobicContact CB-CG 3.6Å; A31-W962 HydrophobicContact CB-CZ2 4.22Å
32G35.3Very low38.2Very low72 Ų72121.9 Ų121.974%0.74277%0.766SS**  trans55-165.8154.900000118.6
33P41.2Very low37.4Very low124 Ų124118.4 Ų118.481%0.80577%0.766SS**  cis-130.4178.1-15.641.5-27.2000113.7
34G32.8Very low36.4Very low62 Ų62120.3 Ų120.364%0.63977%0.768SS**  trans117.4159.6161.100000116.9
35A39Very low35.5Very low90 Ų90121.2 Ų121.274%0.74477%0.773SS**  trans-151.3-172.5-172.700000113.2
36T36.9Very low34.3Very low143 Ų143119.3 Ų119.388%0.87777%0.773SS**  trans84.7147.9-178.673.30000116.4
37A31.5Very low33.8Very low97 Ų97118.5 Ų118.580%0.80277%0.772SS**  cis-167.5151.8-24.700000112
38G29.8Very low33.1Very low85 Ų85116.9 Ų116.988%0.87677%0.765SS**  trans79.3155.9163.400000117.6
39G28.2Very low32.7Very low73 Ų73118 Ų11875%0.75376%0.76SS**  cis169.3162.3-11.200000115.1
40R27.7Very low32.6Very low235 Ų235122.1 Ų122.189%0.88777%0.774SS**  trans73.3156.9170.4-75.5-179.8159.2-99.3-4.8119.4
41S31Very low32.2Very low117 Ų117118.3 Ų118.382%0.81876%0.763SS**  trans-147.5148.1-176.3-47.10000110
42E28.7Very low31.8Very low180 Ų180122.4 Ų122.484%0.84178%0.778SS**  trans-147167.7164.6-66.2-172.717200109.1
43A29.7Very low31.8Very low97 Ų97127.2 Ų127.280%0.80278%0.778SS**  179117.4-59.200000109.1
44S25.5Very low31.4Very low116 Ų116128.3 Ų128.381%0.81178%0.783SS**  trans-164.5126.8166.261.10000112.7
45N28.4Very low31Very low176 Ų176129.2 Ų129.294%0.94179%0.791SS**  trans-116.9156.1161.7-82.2-9.6000108.8
46S27.3Very low30.4Very low117 Ų117128.6 Ų128.682%0.81879%0.794SS**  trans-99.1163.3179.956.80000113.8
47N31.5Very low31Very low147 Ų147127.5 Ų127.579%0.78679%0.789SS**  trans-66.9-178173.5-61-46.2000111.5
48Q33.3Very low30.8Very low150 Ų150130.3 Ų130.370%0.70179%0.79SS**  cis-172.8139.732.8-164.4161-9.500114
49E34Very low31.8Very low141 Ų141131.7 Ų131.766%0.65978%0.784SS**  trans53.5163.9152.8-68.1177.561.800120
50Q35Very low31.9Very low159 Ų159135.9 Ų135.974%0.74379%0.788SS**  cis-154.9-178.2-16.4-118.5-16783.400106.9
51G31.3Very low33Very low56 Ų56129.9 Ų129.958%0.57778%0.78SS**  cis159.7148.2-2.400000111.8
52N29.4Very low32.9Very low133 Ų133130.2 Ų130.271%0.71177%0.772SS**  trans66.1150.6173.3-65.7-39.2000119.1
53K35.9Very low33.2Very low173 Ų173129.9 Ų129.975%0.75277%0.77SS**  cis-163.6132.3-21.8-116167.5-170.4-75.30112
54V31.4Very low33Very low148 Ų148132.1 Ų132.190%0.89777%0.769SS**  trans35.8130140.1-175.40000122.2
55G25.9Very low34.3Very low80 Ų80131.6 Ų131.683%0.82576%0.763SS**  trans-172.4149.8161.100000113.8
56G26.3Very low34.4Very low78 Ų78131.3 Ų131.380%0.80476%0.758SS**  trans-123.9-161.3-164.600000118.1
57P48.7Very low34.7Very low119 Ų119131.6 Ų131.677%0.77375%0.754SS**  -133.4-168.6-125.340.5-22.4000118.1
58L28.6Very low36Very low157 Ų157130.2 Ų130.282%0.82275%0.753SS**  trans82.4164.5167-66.2151.3000118.1
59P49.3Very low36Very low114 Ų114133.4 Ų133.474%0.7477%0.765SS**  cis-132.5-164.3-13.929.9-6000115.7
60L29.9Very low35.9Very low161 Ų161131.7 Ų131.784%0.84378%0.775SS**  trans-124.3178.7177.3-36.487.5000110.7
61P51.3Low35.6Very low109 Ų109127 Ų12771%0.70877%0.769SS**  -159.1-158.562.944.5-20.7000117.5
62N28.8Very low35.8Very low124 Ų124130.5 Ų130.566%0.66378%0.78SS**  trans71165.6162.5-71.124.4000118.6
63H36.3Very low35.8Very low172 Ų172131.5 Ų131.580%0.79679%0.785SS**  cis-148.5173.83.5-122.8-47000111.4
64D24.5Very low35.5Very low144 Ų144126.6 Ų126.677%0.7778%0.784SS**  trans-155.8143.9-178.6178.6-100.3000114
65P53.8Low36.1Very low106 Ų106125.4 Ų125.469%0.68878%0.779SS**  trans-147.5138.9169.638.2-18.6000119.7
66M30.6Very low36.4Very low169 Ų169130.9 Ų130.983%0.83378%0.78SS**  trans68.5140.9152.9-67.7-176.566.500121
67V33Very low36.6Very low123 Ų123135.5 Ų135.575%0.74579%0.785SS**  cis86.3133.98.2-171.10000116.3
68P59Low35.6Very low118 Ų118133.2 Ų133.277%0.76678%0.783SS**  cis-137.2163.8-16.138-19.8000118.2
69K32.7Very low36Very low217 Ų217131.2 Ų131.294%0.94378%0.782SS**SBendtrans-154.9145.7135.2-144.3176-172.8179.30108.9
70A32.2Very low35.3Very low105 Ų105130.4 Ų130.487%0.86878%0.779SS**  trans-94.3158.1-163.400000115.1
71G29.1Very low35.8Very low61 Ų61130 Ų13063%0.62977%0.773SS**  cis168.5168.5-7.600000114.1
72T35.8Very low35.3Very low130 Ų130131.2 Ų131.280%0.79877%0.769SS**  trans52.7128.216251.10000119.3
73N29.5Very low35.7Very low154 Ų154132.4 Ų132.482%0.82477%0.774SS**  cis-145.4163.59.1-80.8-44.5000111.4
74G28.3Very low36.1Very low70 Ų70134.4 Ų134.472%0.72278%0.781SS**  trans-84-162.1178.600000115
75P43.6Very low37.3Very low122 Ų122135.2 Ų135.279%0.79278%0.777SS**  cis-140.5-174.934.242.9-24.8000117.4
76K33.4Very low36.7Very low196 Ų196134.9 Ų134.985%0.85278%0.784SS**  trans75.497.3169.1-63.6-174.5178.7-179.60117
77L29.8Very low37.3Very low175 Ų175137.4 Ų137.492%0.91678%0.784SS**  trans-60.3148.7160.2-76.966.4000110
78G28.5Very low37.6Very low70 Ų70137.7 Ų137.772%0.72278%0.781SS**  cis116.595.81.200000112.2
79S35.9Very low36.4Very low115 Ų115140.8 Ų140.880%0.80479%0.79SS**  trans-71.8134.5172.153.50000112.4
80S34.8Very low36.4Very low97 Ų97140.9 Ų140.968%0.67878%0.784SS**  trans-172.9151.7159-84.60000109.5
81Q40.4Very low36.7Very low154 Ų154141 Ų14172%0.7278%0.779SS**  cis-147.8150-7.4-113157.751.200107.5
82H40.7Very low36.8Very low134 Ų134141.6 Ų141.662%0.6279%0.785SS**  40.4133.898.5-58.6-150.4000113.4
83L37.1Very low36.5Very low148 Ų148140.4 Ų140.478%0.77579%0.789SS**  cis-159.5132.849.6-75.2161.4000112.8
84K46.1Very low36.7Very low214 Ų214144.1 Ų144.193%0.9379%0.791SS**  -172.7103.2129.7-105.5167.5-176.5177.30108.7
85K49.1Very low36.7Very low161 Ų161147.9 Ų147.970%0.780%0.795SS**  trans-114.4124.3-177.3-68.3-175.6179.6-177.80111
86A40.7Very low36.5Very low100 Ų100149 Ų14983%0.82679%0.794SS**  -120.9113.9125.800000105.2
87R44.6Very low37Very low221 Ų221145.6 Ų145.683%0.83479%0.792SS**  cis68.6126.543.8-172-164.1-87.8166.4-7.2111.4
88L38.8Very low37Very low129 Ų129140.1 Ų140.168%0.67578%0.777SS**  cis-173.5137.1-19.117269.8000106.2R90L88-R90 HydrophobicContact CD1-CB 4.14Å
89L33.5Very low37.2Very low184 Ų184144.4 Ų144.496%0.96378%0.784SS**  trans-135.6126142.6-75.7-179.4000108.4
90R32.4Very low37.1Very low218 Ų218146.7 Ų146.782%0.82378%0.782SS**  trans-133.7136.5171.4-177.2176.8-179.2-174.30.1107.7L88L88-R90 HydrophobicContact CD1-CB 4.14Å
91S38Very low37.1Very low109 Ų109151.5 Ų151.576%0.76279%0.785SS**  trans-39138.9178.655.20000117
92G31.8Very low36.6Very low73 Ų73152 Ų15275%0.75379%0.789SS**  trans134.8142.5138.200000118.1
93A29.4Very low35.9Very low105 Ų105151.1 Ų151.187%0.86880%0.799SS**  trans70.9159.1160.700000119.8
94W33.5Very low35.3Very low232 Ų232149.4 Ų149.488%0.87980%0.799SS**  trans-84.7155.7176.7-679000112.1
95N29.2Very low35.3Very low149 Ų149144.5 Ų144.580%0.79779%0.789SS**  174.5149.1107.7-85.9-31.3000112.5
96D39.8Very low35Very low146 Ų146142.1 Ų142.178%0.78179%0.79SS**  trans-82.8147.1165.6-170.60.4000109G98D96-G98 PolarHBondContact OD1-N 3Å
97P43Very low34.6Very low123 Ų123143.7 Ų143.780%0.79979%0.789SS**  -153.6136.2108.536.3-17.2000117.3
98G29.4Very low34.1Very low60 Ų60141.3 Ų141.362%0.61979%0.788SS**  71.5110.8109.900000122D96D96-G98 PolarHBondContact OD1-N 3Å
99N33.8Very low33.9Very low160 Ų160143.2 Ų143.286%0.85680%0.797SS**  trans48.2124.2141.1-72.4-23.8000122
100Q33.4Very low33.9Very low164 Ų164142.1 Ų142.177%0.76679%0.793SS**  -163.5112.4109.2-88-124.574.600114.1
101R34.4Very low33.9Very low198 Ų198135.1 Ų135.175%0.74779%0.788SS**  44.8119.1125.2-172.6-167.6-65.7-117.4-2.2120.1
102M29.4Very low33.9Very low163 Ų163138.7 Ų138.780%0.80379%0.792SS**  -164.4163.5113.8-93-4717400112.1
103S26.1Very low33.9Very low117 Ų117141.9 Ų141.982%0.81880%0.797SS**  trans55.299.7178.367.70000119.6
104S24.8Very low34Very low112 Ų112139.6 Ų139.678%0.78378%0.784SS**  trans-89.1-170146.559.70000109.1
105P47Very low33.9Very low111 Ų111135.6 Ų135.672%0.72179%0.785SS**  cis-137.4-147.5241.6-19.3000112
106P42Very low34.5Very low111 Ų111136.5 Ų136.572%0.72179%0.789SS**  -122.4-160.3-54.524.6-2.3000112.2
107V32.7Very low34.4Very low133 Ų133137.8 Ų137.881%0.80679%0.79SS**  trans110.2125.7151-175.10000115.8
108E33.3Very low33.9Very low171 Ų171138.7 Ų138.780%0.79979%0.788SS**  trans-80.8161.7175.6-55152.5111.700110.6
109L35.4Very low33.9Very low168 Ų168139.6 Ų139.688%0.8880%0.798SS**  -171.3149.4110.4-101.6170.4000113.5
110N33.6Very low33.6Very low162 Ų162136.8 Ų136.887%0.86680%0.797SS**  trans-54.2125.7167.6178.922.6000111.4
111G32.8Very low33.9Very low70 Ų70136.7 Ų136.772%0.72280%0.801SS**  trans-144.2128.5-176.800000112.4
112Q36.2Very low34.1Very low184 Ų184135.4 Ų135.486%0.8680%0.803SS**  trans-105.3163.8-176.9-169.2174.576.700110.3
113V31.8Very low34.1Very low140 Ų140131 Ų13185%0.84880%0.8SS**  trans72.8142.5-178-167.20000112.5
114G32.9Very low34.7Very low57 Ų57130.2 Ų130.259%0.58879%0.794SS**  cis159.9172.3-7.600000111.7
115T31.8Very low35.6Very low149 Ų149130.6 Ų130.691%0.91479%0.794SS**  trans61.2129.1173.831.80000119.5
116L41Very low35.4Very low167 Ų167133.8 Ų133.887%0.87480%0.799SS**  trans-62.5145167.5-59144.1000112
117Q37.2Very low35.1Very low173 Ų173134.5 Ų134.581%0.80881%0.807SS**  -172.3133.7129.5-107.2-170.18100115.3
118N32.5Very low36Very low142 Ų142131.4 Ų131.476%0.75980%0.802SS**  trans48.7136.5136.1-61.7-22000124.2
119G30.3Very low37Very low80 Ų80131.8 Ų131.883%0.82580%0.803SS**  trans105.8141.4156.800000115.2
120A27.3Very low37.9Very low100 Ų100127.2 Ų127.283%0.82679%0.786SS**  cis-156-177.9-9.800000110.5
121L40.2Very low39.5Very low163 Ų163125 Ų12585%0.85378%0.778SS**  trans-67.5168.3169.9-67.284.8000110.4
122E37.3Very low40.9Very low170 Ų170128.1 Ų128.179%0.79478%0.778SS**  cis-155.2-17927.8-134.6-104.7-142.600110.3S124E122-S124 PolarHBondContact OE2-N 3.25Å
123G30.3Very low42.6Very low72 Ų72123.9 Ų123.974%0.74276%0.76SS**  trans149.260.3171.200000116.7
124S38.5Very low44.5Very low99 Ų99119.9 Ų119.969%0.69274%0.742SS**  trans-83.2151.5161.7-157.50000110.9E122 H126E122-S124 PolarHBondContact OE2-N 3.25Å; S124-H126 PolarHBondContact OG-N 3.22Å
125P44.3Very low46.5Very low120 Ų120120.4 Ų120.478%0.77974%0.737SS**  -144133.494.935.1-19.1000116.1
126H41Very low48.8Very low179 Ų179117.6 Ų117.683%0.82972%0.716SS**  trans59.984132.9-149.387.3000119.4S124S124-H126 PolarHBondContact OG-N 3.22Å
127S37.3Very low50.9Low125 Ų125114.5 Ų114.587%0.87470%0.699SS**  trans-137.9120.1135.9-1730000108.6
128G51Low52.9Low68 Ų68113 Ų11370%0.70169%0.692SS**  trans-112.3100.1-168.700000112.8
129E54.2Low54.9Low179 Ų179109.1 Ų109.184%0.83668%0.676SS**  trans-152.8160.2168.5-109.7165.7-13300110.5T131E129-T131 PolarHBondContact O-N 2.93Å
130S55.4Low57.3Low72 Ų72111.3 Ų111.350%0.50366%0.663SS.*  trans67.726.5164.2-65.90000119.8L132 L133 A134S130-L132 VanDerWaalsContact C-N 3.31Å; S130-L132 PolarHBondContact O-N 3.17Å; S130-L133 PolarHBondContact O-N 3.41Å; S130-A134 PolarHBondContact O-N 3.13Å
131T65.4Low59.6Low115 Ų115109.6 Ų109.671%0.70665%0.645SS**Hα-helixtrans-56.4-41.816950.10000113E129 A134 S135E129-T131 PolarHBondContact O-N 2.93Å; T131-A134 PolarHBondContact O-N 3.01Å; T131-S135 PolarHBondContact O-N 3.29Å; T131-S135 PolarHBondContact O-OG 3.17Å
132L63.4Low61.1Low137 Ų137105.3 Ų105.372%0.71763%0.629SS**Hα-helixtrans-63.3-39.8175.6-84.3170.1000113S130 S135 L136S130-L132 VanDerWaalsContact C-N 3.31Å; S130-L132 PolarHBondContact O-N 3.17Å; L132-S135 PolarHBondContact O-N 3.44Å; L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.1Å
133L71.4Confident63Low94 Ų94106.3 Ų106.349%0.49263%0.626SS.*Hα-helixtrans-69.4-39.4177.4-177.462.2000110.8S130 L136 L137S130-L133 PolarHBondContact O-N 3.41Å; L133-L136 PolarHBondContact O-N 3.34Å; L133-L137 HydrophobicContact CD1-CD1 4.25Å; L133-L137 HydrophobicContact CD1-CG 4.22Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 3.49Å
134A72.6Confident65.1Low56 Ų56108.8 Ų108.846%0.46362%0.621SS.*Hα-helixtrans-60.5-48172.700000111.6S130 T131 L136 L137 Q138S130-A134 PolarHBondContact O-N 3.13Å; T131-A134 PolarHBondContact O-N 3.01Å; A134-L136 PolarHBondContact O-N 3.25Å; A134-L137 PolarHBondContact O-N 3.42Å; A134-Q138 VanDerWaalsContact O-CB 3.23Å; A134-Q138 WeakPolarHBondContact O-CB 3.43Å; A134-Q138 PolarHBondContact O-N 3.4Å
135S73.4Confident66.7Low69 Ų69110.6 Ų110.648%0.48362%0.619SS.*Hα-helixtrans-63.4-38175.7-62.10000112.9T131 L132 S139T131-S135 PolarHBondContact O-N 3.29Å; T131-S135 PolarHBondContact O-OG 3.17Å; L132-S135 PolarHBondContact O-N 3.44Å; S135-S139 WeakPolarHBondContact O-CB 3.37Å; S135-S139 PolarHBondContact O-N 2.88Å
136L81.1Confident67.6Low90 Ų90108.6 Ų108.647%0.47161%0.608SS.*Hα-helixtrans-64.3-51.9174.4-81.3164.6000111.1L132 L133 A134 Q138 S139 F140L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.1Å; L133-L136 PolarHBondContact O-N 3.34Å; A134-L136 PolarHBondContact O-N 3.25Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.4Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 VanDerWaalsContact O-N 3.07Å; L136-S139 PolarHBondContact O-OG 2.87Å; L136-F140 HydrophobicContact CD2-CE2 4.42Å; L136-F140 WeakPolarHBondContact O-CD2 3.4Å; L136-F140 PolarHBondContact O-N 3.18Å
137L85.8Confident68.8Low101 Ų101103.8 Ų103.853%0.52959%0.59SS.*Hα-helixtrans-59.6-38.8177.2-71.4170.9000111.9L133 A134 F140 S141L133-L137 HydrophobicContact CD1-CD1 4.25Å; L133-L137 HydrophobicContact CD1-CG 4.22Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 3.49Å; A134-L137 PolarHBondContact O-N 3.42Å; L137-F140 PolarHBondContact O-N 3.31Å; L137-S141 VanDerWaalsContact O-CB 3.28Å; L137-S141 WeakPolarHBondContact O-CB 3.39Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 3.03Å
138Q78.1Confident69.8Low141 Ų141100.1 Ų100.166%0.65957%0.568SS**Hα-helixtrans-65.3-40.9173.7-168.8177.621.500111.7A134 L136 S141 S142A134-Q138 VanDerWaalsContact O-CB 3.23Å; A134-Q138 WeakPolarHBondContact O-CB 3.43Å; A134-Q138 PolarHBondContact O-N 3.4Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.4Å; Q138-S141 PolarHBondContact O-N 2.87Å; Q138-S142 VanDerWaalsContact O-CB 3.25Å; Q138-S142 WeakPolarHBondContact O-CB 3.49Å; Q138-S142 PolarHBondContact O-N 3.03Å
139S75.4Confident69.9Low61 Ų61103.4 Ų103.443%0.42757%0.567SS.*Hα-helixtrans-66.4-40.417678.90000112.6S135 L136 R143S135-S139 WeakPolarHBondContact O-CB 3.37Å; S135-S139 PolarHBondContact O-N 2.88Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 VanDerWaalsContact O-N 3.07Å; L136-S139 PolarHBondContact O-OG 2.87Å; S139-R143 VanDerWaalsContact O-CB 3.3Å; S139-R143 WeakPolarHBondContact O-CB 3.46Å; S139-R143 PolarHBondContact O-N 2.84Å
140F79.3Confident69.7Low126 Ų12698.3 Ų98.355%0.55355%0.551SS**Hα-helixtrans-66-43.2173.5-80.3-68.7000111.5L136 L137 R143 L144L136-F140 HydrophobicContact CD2-CE2 4.42Å; L136-F140 WeakPolarHBondContact O-CD2 3.4Å; L136-F140 PolarHBondContact O-N 3.18Å; L137-F140 PolarHBondContact O-N 3.31Å; F140-R143 PolarHBondContact O-N 3.41Å; F140-L144 WeakPolarHBondContact O-CB 3.36Å; F140-L144 WeakPolarHBondContact O-CG 3.25Å; F140-L144 PolarHBondContact O-N 3.41Å
141S76.3Confident69.6Low64 Ų64102.2 Ų102.245%0.44856%0.561SS.*Hα-helixtrans-62.8-45.3177.1-58.50000111.8L137 Q138 R143 L144 Q145L137-S141 VanDerWaalsContact O-CB 3.28Å; L137-S141 WeakPolarHBondContact O-CB 3.39Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 3.03Å; Q138-S141 PolarHBondContact O-N 2.87Å; S141-R143 PolarHBondContact O-N 2.81Å; S141-L144 PolarHBondContact O-N 3.23Å; S141-Q145 WeakPolarHBondContact O-CB 3.42Å; S141-Q145 WeakPolarHBondContact O-CG 3.23Å; S141-Q145 PolarHBondContact O-N 3.35Å
142S72.3Confident68.7Low74 Ų74103.8 Ų103.852%0.51756%0.56SS.*Hα-helixtrans-61.8-42.2174.8179.70000111.7Q138 Q145 S146Q138-S142 VanDerWaalsContact O-CB 3.25Å; Q138-S142 WeakPolarHBondContact O-CB 3.49Å; Q138-S142 PolarHBondContact O-N 3.03Å; S142-Q145 PolarHBondContact O-N 3.46Å; S142-S146 VanDerWaalsContact O-CB 3.27Å; S142-S146 WeakPolarHBondContact O-CB 3.27Å; S142-S146 PolarHBondContact O-N 3.14Å
143R76.3Confident67.7Low191 Ų191101.2 Ų101.272%0.72155%0.553SS**Hα-helixtrans-68.8-37177.5-156.9174.3-161-176.35.7112.5S139 F140 S141 S146 V147S139-R143 VanDerWaalsContact O-CB 3.3Å; S139-R143 WeakPolarHBondContact O-CB 3.46Å; S139-R143 PolarHBondContact O-N 2.84Å; F140-R143 PolarHBondContact O-N 3.41Å; S141-R143 PolarHBondContact O-N 2.81Å; R143-S146 PolarHBondContact O-N 3.49Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.45Å; R143-V147 PolarHBondContact O-N 3.34Å
144L75.8Confident66.1Low123 Ų123103.8 Ų103.864%0.64457%0.568SS**Hα-helixtrans-65.4-45.7173.4-78.9164.1000111.7F140 S141 V147 A148F140-L144 WeakPolarHBondContact O-CB 3.36Å; F140-L144 WeakPolarHBondContact O-CG 3.25Å; F140-L144 PolarHBondContact O-N 3.41Å; S141-L144 PolarHBondContact O-N 3.23Å; L144-V147 PolarHBondContact O-N 3.4Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.02Å
145Q70.6Confident64.3Low138 Ų138110.1 Ų110.165%0.64559%0.585SS**Hα-helixtrans-62.7-40.9173.9-73.8178.7-10.800111.8S141 S142 A148 M149S141-Q145 WeakPolarHBondContact O-CB 3.42Å; S141-Q145 WeakPolarHBondContact O-CG 3.23Å; S141-Q145 PolarHBondContact O-N 3.35Å; S142-Q145 PolarHBondContact O-N 3.46Å; Q145-A148 PolarHBondContact O-N 2.84Å; Q145-M149 WeakPolarHBondContact O-CB 3.25Å; Q145-M149 VanDerWaalsContact O-CG 3.28Å; Q145-M149 WeakPolarHBondContact O-CG 3.45Å; Q145-M149 PolarHBondContact O-N 3.14Å
146S64.3Low62.5Low78 Ų78112.9 Ų112.955%0.54560%0.601SS.*Hα-helixtrans-61.4-43.3174.9179.50000112.1S142 R143 S150S142-S146 VanDerWaalsContact O-CB 3.27Å; S142-S146 WeakPolarHBondContact O-CB 3.27Å; S142-S146 PolarHBondContact O-N 3.14Å; R143-S146 PolarHBondContact O-N 3.49Å; S146-S150 WeakPolarHBondContact O-CB 3.35Å; S146-S150 PolarHBondContact O-N 2.87Å
147V65.6Low60Low77 Ų77115.4 Ų115.447%0.46762%0.621SS.*Hα-helixtrans-66.1-43.2175.51690000111.6R143 L144 S150 Q151R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.45Å; R143-V147 PolarHBondContact O-N 3.34Å; L144-V147 PolarHBondContact O-N 3.4Å; V147-S150 PolarHBondContact O-N 3.17Å; V147-Q151 PolarHBondContact O-N 3.1Å; V147-Q151 VanDerWaalsContact O-N 3.09Å
148A58.5Low57.4Low48 Ų48114.3 Ų114.340%0.39763%0.634SS.*Hα-helixtrans-60.1-52.7176.900000111.5L144 Q145 S150 Q151 H152L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.02Å; Q145-A148 PolarHBondContact O-N 2.84Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 3.1Å; A148-Q151 PolarHBondContact O-N 3Å; A148-Q151 VanDerWaalsContact O-N 3.08Å; A148-H152 PolarHBondContact O-CD2 3.48Å
149M52.5Low55.1Low137 Ų137116.8 Ų116.868%0.67565%0.645SS**Hα-helixtrans-63.5-32.4178-64.3-62.6-7700112.2Q145 Q151 H152Q145-M149 WeakPolarHBondContact O-CB 3.25Å; Q145-M149 VanDerWaalsContact O-CG 3.28Å; Q145-M149 WeakPolarHBondContact O-CG 3.45Å; Q145-M149 PolarHBondContact O-N 3.14Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.19Å; M149-H152 PolarHBondContact O-N 3.15Å
150S49.7Very low52.7Low72 Ų72120.2 Ų120.250%0.50367%0.667SS.*Hα-helixtrans-69.4-25.8174.7-172.60000113.6S146 V147 A148 H152 S153S146-S150 WeakPolarHBondContact O-CB 3.35Å; S146-S150 PolarHBondContact O-N 2.87Å; V147-S150 PolarHBondContact O-N 3.17Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 3.1Å; S150-H152 VanDerWaalsContact C-N 3.26Å; S150-H152 PolarHBondContact O-N 3.04Å; S150-S153 PolarHBondContact O-OG 3.24Å
151Q53.1Low50.2Low154 Ų154119.5 Ų119.572%0.7268%0.678SS**Hα-helixtrans-77.1-13175.5-72.1-164.99.900113.1V147 A148 M149 S153V147-Q151 PolarHBondContact O-N 3.1Å; V147-Q151 VanDerWaalsContact O-N 3.09Å; A148-Q151 PolarHBondContact O-N 3Å; A148-Q151 VanDerWaalsContact O-N 3.08Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.19Å; Q151-S153 VanDerWaalsContact C-N 3.34Å
152H47.4Very low47.9Very low149 Ų149121.5 Ų121.569%0.6969%0.692SS**THydrogen-bonded Turntrans-85.5-1.9175.5-57.1-35000113.8A148 M149 S150A148-H152 PolarHBondContact O-CD2 3.48Å; M149-H152 PolarHBondContact O-N 3.15Å; S150-H152 VanDerWaalsContact C-N 3.26Å; S150-H152 PolarHBondContact O-N 3.04Å
153S41.6Very low46.1Very low82 Ų82123.7 Ų123.757%0.57371%0.705SS**THydrogen-bonded Turntrans-89.6-4.7-172.4740000116S150 Q151S150-S153 PolarHBondContact O-OG 3.24Å; Q151-S153 VanDerWaalsContact C-N 3.34Å
154N39.5Very low43.7Very low148 Ų148120 Ų12079%0.79171%0.708SS**  trans-117.683.5-175.8-76.6-61.8000112.3
155K34.3Very low41.4Very low190 Ų190124 Ų12483%0.82672%0.72SS**  trans-146.3122.8164.9-162.2170.9-174.5177.60110.8
156P35.6Very low39.3Very low126 Ų126121.5 Ų121.582%0.81872%0.723SS**  trans-75.4141.4178.430.9-34.2000111.2
157T29.2Very low38.2Very low144 Ų144123.4 Ų123.488%0.88373%0.734SS**  trans-94.5120.1175.1480000111.3
158G29.6Very low36.5Very low78 Ų78123.9 Ų123.980%0.80475%0.746SS**  trans-119.7159.116100000109.6
159E30.9Very low35.3Very low192 Ų192127.9 Ų127.990%0.89777%0.766SS**  trans-109.4163.3-157.6-58179131.600115.2
160C24.8Very low34.3Very low133 Ų133127 Ų12790%0.89976%0.763SS**  trans69.6156168.1-93.50000118.2
161S27Very low33.7Very low111 Ų111131.5 Ų131.578%0.77677%0.774SS**  cis-144176.84.7540000113.8
162S27.1Very low32.5Very low107 Ų107131.8 Ų131.875%0.74878%0.776SS**  trans-77.7176.1-175.460.30000115.6
163P35.5Very low32.3Very low120 Ų120129.4 Ų129.478%0.77977%0.773SS**  -148.9145.49738.6-22000118.8
164S25.2Very low31.9Very low113 Ų113132.5 Ų132.579%0.7978%0.782SS**  trans33120.6140.4-165.40000123.2
165K26.7Very low32.3Very low206 Ų206130.6 Ų130.690%0.89678%0.778SS**  -164.8156104.7-132.1172.7-178.1176.10113
166A27.7Very low32.2Very low86 Ų86128.3 Ų128.371%0.71178%0.78SS**  trans-125.7173171.500000109.8
167P41.2Very low32Very low119 Ų119133.3 Ų133.377%0.77378%0.784SS**  -152172.579.841.4-23.7000117.2
168A30.3Very low32.2Very low86 Ų86130.2 Ų130.271%0.71178%0.781SS**  trans65.2144.4154.700000118.2
169T32.8Very low32.5Very low133 Ų133133.2 Ų133.282%0.81678%0.783SS**  cis-171.71611.820.70000105.9
170D31.6Very low32.7Very low117 Ų117128.4 Ų128.463%0.62678%0.777SS**  cis-175.8171.6-6.4177.516.6000108.2
171K36.2Very low33.2Very low168 Ų168127.3 Ų127.373%0.7377%0.77SS**  trans65.2120.9169.8-57.8-63175.5-73.70120.5
172E28.7Very low33.8Very low160 Ų160127.4 Ų127.475%0.74877%0.771SS**  trans-87.2178.9153.5-117.5-146.6106.400110.2
173P43.5Very low34.5Very low98 Ų98133 Ų13364%0.63678%0.776SS**  cis-138.8157.513.539.3-20.2000119.1
174L32.8Very low34.8Very low147 Ų147133.9 Ų133.977%0.7777%0.773SS**  trans59.4166.1147.9-65.4167.3000120.2
175P47.7Very low35.6Very low108 Ų108138 Ų13870%0.70178%0.777SS**  -136.6131.6-60.736.8-19.6000114.5
176V32.9Very low36.1Very low143 Ų143131.3 Ų131.387%0.86777%0.767SS**  trans-139.7149.5171.9-176.80000112.8
177Y30.2Very low36.7Very low231 Ų231135.3 Ų135.391%0.90678%0.776SS**  trans-41.5147.2176.8-74.8-108.1000116.6
178G34.8Very low36.6Very low79 Ų79136.4 Ų136.481%0.81477%0.772SS**  trans-173.363177.400000116.6
179T36.1Very low37.2Very low140 Ų140142.4 Ų142.486%0.85978%0.776SS**  trans-0.7123.1168.6-380000121
180A33.7Very low37.9Very low92 Ų92146 Ų14676%0.7678%0.781SS**  trans-49.7166.4160.300000115.6
181S35.5Very low37.9Very low109 Ų109146.1 Ų146.176%0.76279%0.79SS**  cis-163.6157.1-12.9168.50000108.6
182S39.9Very low37.9Very low113 Ų113147.2 Ų147.279%0.7980%0.795SS**  trans-70.1173166.161.10000112.8
183R41.9Very low38.2Very low224 Ų224147.3 Ų147.385%0.84580%0.8SS**  trans-66.7164.1-170.4-61.9169.6165.1173.2-6.3115.4
184L41.6Very low37.7Very low139 Ų139149.1 Ų149.173%0.72880%0.8SS**  trans89.6137.9134.9-92.6161.3000121.5
185K41.3Very low37.5Very low199 Ų199149 Ų14987%0.86580%0.8SS**  trans78.9137.4159.4-63168.8-176.2178.70117.9
186G38.8Very low37Very low67 Ų67152.7 Ų152.769%0.69181%0.808SS**  trans14363.7-17400000111.4
187L39.8Very low37Very low170 Ų170153.3 Ų153.389%0.8981%0.806SS**  86.8121.489.7-85.7168.5000115.4
188M37.6Very low37.1Very low141 Ų141149.3 Ų149.370%0.69580%0.801SS**  trans-5.8127.7154.6-74.8-92.392.400119.3
189R44.8Very low37Very low212 Ų212151.5 Ų151.580%0.880%0.798SS**  trans59.5118.9141.9-56.4175.4-176.1-131.53.3118.3
190K45.7Very low37.7Very low209 Ų209149.9 Ų149.991%0.90979%0.79SS**  -174.5141.5107.5-93146.1-171.7177.20110.4
191S33.3Very low37.4Very low119 Ų119156 Ų15683%0.83280%0.795SS**  trans-79.1142.7169.845.30000110.4L193S191-L193 PolarHBondContact O-N 2.92Å
192K35.1Very low37.1Very low192 Ų192155.8 Ų155.884%0.83579%0.793SS**  trans-87.799.4-172.8-170.8177.6-177.7-178.80110.8
193L35.9Very low36.7Very low162 Ų162161.7 Ų161.785%0.84880%0.798SS**  trans-76129.3157.4-82.3169.6000108.5S191S191-L193 PolarHBondContact O-N 2.92Å
194Q32.6Very low36.1Very low136 Ų136162.4 Ų162.464%0.63680%0.801SS**  trans-96.4109.9-179-177168.5-25.400109.6H196Q194-H196 PolarHBondContact NE2-NE2 3.39Å
195N27.7Very low35.5Very low145 Ų145159.3 Ų159.378%0.77580%0.802SS**  trans-121.2130.8169.7-95.8-76.7000108.7
196H37.2Very low35.1Very low185 Ų185159 Ų15986%0.85680%0.804SS**  trans-111.6131.8169.7-72.6-77.7000107.9Q194Q194-H196 PolarHBondContact NE2-NE2 3.39Å
197N33.7Very low34.7Very low155 Ų155159.8 Ų159.883%0.82980%0.799SS**  trans-160.1132.7173.6-138-22.6000111.1
198N31.9Very low34.4Very low148 Ų148160.6 Ų160.679%0.79180%0.798SS**  trans156130.9170.6-91-16.3000107.3
199T33.7Very low34Very low124 Ų124159 Ų15976%0.76179%0.792SS**  cis-171.4-178-13.20.40000104.8
200P49.9Very low33.3Very low107 Ų107158.9 Ų158.970%0.69579%0.791SS**  trans-115.9175.8-140.543.9-38000117.5
201Y28Very low33.1Very low221 Ų221154.4 Ų154.487%0.86778%0.784SS**  -172.3159.7127.6-116.8-81.5000115.9
202S29.6Very low34.2Very low103 Ų103154 Ų15472%0.7278%0.778SS**  trans64.389.1153.7-73.50000125.2
203R30.6Very low33.9Very low237 Ų237153.8 Ų153.889%0.89478%0.78SS**  10.5126.4119.6-177.3-153.8-61.5-102.44.8120.3
204R30.2Very low33.6Very low240 Ų240151 Ų15191%0.90678%0.775SS**  168.6137.3120.6178.7-179.3-69.8-124.75.4114.4
205G27.4Very low34.7Very low73 Ų73149.6 Ų149.675%0.75378%0.777SS**  trans84.4158.6165.300000115.4
206H33.9Very low34.7Very low193 Ų193154.7 Ų154.789%0.89479%0.786SS**  cis-143.2-175.9-3.4-15667.6000110
207S29.3Very low34.6Very low84 Ų84151.1 Ų151.159%0.58778%0.781SS**  trans-135.8148.7-157.955.40000117.4
208Q33.9Very low34.4Very low186 Ų186147.3 Ų147.387%0.86977%0.772SS**  trans65.6165.2169.4-56.5-174.8-2700115.1
209D30.4Very low34.6Very low107 Ų107149.5 Ų149.557%0.57278%0.777SS**  cis-151.3172.56.1-164.718.2000112.6
210R30.3Very low34.4Very low210 Ų210149.2 Ų149.279%0.79278%0.78SS**  trans61.7129.3151.7-94172.1174.897.1-9.5124
211P41.2Very low33.6Very low116 Ų116148.9 Ų148.975%0.75379%0.786SS**  trans-111.1-164.7142.342.7-32.7000110.3
212P56.4Low34Very low109 Ų109144.8 Ų144.871%0.70878%0.784SS**  cis-122.6178.7-22.841.1-27.5000113.1
213E27.5Very low35.1Very low188 Ų188145.3 Ų145.388%0.87979%0.785SS**  trans-167.2170.1149.3-14271.7-91.800112.2
214S30Very low36Very low105 Ų105139.7 Ų139.773%0.73478%0.779SS**  trans-170.4173.4-175.7-168.90000110.2
215P55.5Low36Very low106 Ų106133.1 Ų133.169%0.68878%0.776SS**  cis-121.6176.5-35.435.1-20.8000112.8
216R29.1Very low36.6Very low252 Ų252134.1 Ų134.195%0.95178%0.778SS**  trans-176.5178.5136.3-103.3160.1-174.5174.22.9113.2
217S33Very low37Very low109 Ų109131.1 Ų131.176%0.76278%0.775SS**  trans-129.4161.2-155.258.30000116.2
218A31Very low37.7Very low76 Ų76132.2 Ų132.263%0.62879%0.789SS**  trans105.6154.8141.200000120.1
219H34.8Very low37.8Very low193 Ų193127.4 Ų127.489%0.89478%0.781SS**  trans81.1160.1174.7-53.1-69000117.5
220S30.8Very low38.7Very low119 Ų119129.1 Ų129.183%0.83280%0.796SS**  trans-141.9133.6-144178.10000113.5
221A33.6Very low39.3Very low99 Ų99126.1 Ų126.182%0.81880%0.796SS**  trans-159.9152.1157.700000110
222T36.3Very low39.9Very low135 Ų135125.8 Ų125.883%0.82880%0.796SS**  trans-130.9168.5177.820.10000109.5
223P52.9Low39.8Very low114 Ų114123.6 Ų123.674%0.7478%0.78SS**  cis-121.6-152.4-18.942.7-26.3000109
224P47.6Very low41.5Very low120 Ų120117.8 Ų117.878%0.77976%0.76SS**  cis-130.5-158.8-11.343.7-26000113.9
225A31.1Very low43.3Very low102 Ų102117.2 Ų117.284%0.84376%0.756SS**  trans84.1144.5174.700000117
226A39.3Very low44.3Very low94 Ų94115.5 Ų115.578%0.77775%0.75SS**  trans-93.2160.7-175.200000112.1
227P42.8Very low46.6Very low130 Ų130108.9 Ų108.984%0.84473%0.73SS**  -139.1-177.2101.539.9-28.7000114.3
228A44.3Very low48.8Very low106 Ų106110.5 Ų110.588%0.87672%0.719SS**  trans-61.1138.9-171.500000115.4
229A35.8Very low51.3Low86 Ų86112.7 Ų112.771%0.71172%0.72SS**  trans-118.2146.5154.200000108.8D231A229-D231 PolarHBondContact O-N 3.48Å
230T49.4Very low53.6Low142 Ų142110.8 Ų110.887%0.87171%0.709SS**  trans-85.493.7-179.750.60000110.8S232T230-S232 PolarHBondContact O-N 2.93Å
231D43.6Very low55.7Low148 Ų148107.8 Ų107.879%0.79169%0.692SS**  trans-61.9104.6174.5-78-39000111.2A229 V233A229-D231 PolarHBondContact O-N 3.48Å; D231-V233 PolarHBondContact O-N 3Å
232S52.2Low58Low108 Ų108107.3 Ų107.376%0.75568%0.678SS**  trans-75.372.1175.859.90000110.2T230 S234T230-S232 PolarHBondContact O-N 2.93Å; S232-S234 PolarHBondContact O-N 3.23Å
233V55.4Low59.8Low64 Ų64103.6 Ų103.639%0.38866%0.661SS.*  trans-40113.5-174.2-171.30000111D231 E237 R238D231-V233 PolarHBondContact O-N 3Å; V233-E237 HydrophobicContact CG1-CB 4.09Å; V233-E237 HydrophobicContact CG1-CG 4Å; V233-R238 HydrophobicContact CB-CG 4.4Å; V233-R238 HydrophobicContact CG1-CG 3.92Å; V233-R238 VanDerWaalsContact O-CZ 3.24Å; V233-R238 PolarHBondContact O-NE 2.95Å; V233-R238 PolarHBondContact O-NH2 3.48Å
234S63.7Low60.7Low65 Ų65102.6 Ų102.646%0.45565%0.65SS.*  trans-56.6147.2-170.3176.20000111.4S232 A236 E237 R238S232-S234 PolarHBondContact O-N 3.23Å; S234-A236 PolarHBondContact O-N 3.15Å; S234-A236 PolarHBondContact OG-N 2.8Å; S234-E237 WeakPolarHBondContact O-CA 3.09Å; S234-E237 WeakPolarHBondContact O-CB 3.27Å; S234-E237 PolarHBondContact O-N 3.19Å; S234-R238 PolarHBondContact O-N 3.39Å
235C66.1Low61.8Low94 Ų94102 Ų10264%0.63564%0.638SS**Hα-helixtrans-57.1-34.4173.6-800000111.7E237 L239C235-E237 VanDerWaalsContact C-N 3.28Å; C235-E237 PolarHBondContact O-N 3.36Å; C235-L239 VanDerWaalsContact O-CB 3.28Å; C235-L239 WeakPolarHBondContact O-CB 3.49Å; C235-L239 WeakPolarHBondContact O-CG 3.38Å; C235-L239 PolarHBondContact O-N 3.23Å
236A78.1Confident63.6Low69 Ų69101.4 Ų101.457%0.5762%0.623SS**Hα-helixtrans-62.7-35.617300000112.3S234 K240S234-A236 PolarHBondContact O-N 3.15Å; S234-A236 PolarHBondContact OG-N 2.8Å; A236-K240 VanDerWaalsContact O-CB 3.23Å; A236-K240 WeakPolarHBondContact O-CB 3.26Å; A236-K240 PolarHBondContact O-N 3.34Å
237E77.1Confident64.7Low113 Ų113103.7 Ų103.753%0.52862%0.616SS.*Hα-helixtrans-80.4-38.4-178.8-171.7161.2-122.400112.5V233 S234 C235 K240 A241V233-E237 HydrophobicContact CG1-CB 4.09Å; V233-E237 HydrophobicContact CG1-CG 4Å; S234-E237 WeakPolarHBondContact O-CA 3.09Å; S234-E237 WeakPolarHBondContact O-CB 3.27Å; S234-E237 PolarHBondContact O-N 3.19Å; C235-E237 VanDerWaalsContact C-N 3.28Å; C235-E237 PolarHBondContact O-N 3.36Å; E237-K240 PolarHBondContact O-N 3.27Å; E237-A241 WeakPolarHBondContact O-CB 3.2Å; E237-A241 PolarHBondContact O-N 3.26Å
238R78.9Confident65.4Low144 Ų144103.3 Ų103.354%0.54361%0.606SS.*Hα-helixtrans-61.3-42.2167.2-87-179.2-92.1-162.5-4111.7V233 S234 A241 V242V233-R238 HydrophobicContact CB-CG 4.4Å; V233-R238 HydrophobicContact CG1-CG 3.92Å; V233-R238 VanDerWaalsContact O-CZ 3.24Å; V233-R238 PolarHBondContact O-NE 2.95Å; V233-R238 PolarHBondContact O-NH2 3.48Å; S234-R238 PolarHBondContact O-N 3.39Å; R238-A241 PolarHBondContact O-N 3.36Å; R238-V242 WeakPolarHBondContact O-CG2 3.25Å; R238-V242 PolarHBondContact O-N 2.95Å
239L84.3Confident66Low121 Ų121108 Ų10863%0.63460%0.6SS**Hα-helixtrans-65.6-38.6173.2-73169.4000112.1C235 V242 A243C235-L239 VanDerWaalsContact O-CB 3.28Å; C235-L239 WeakPolarHBondContact O-CB 3.49Å; C235-L239 WeakPolarHBondContact O-CG 3.38Å; C235-L239 PolarHBondContact O-N 3.23Å; L239-V242 PolarHBondContact O-N 3.03Å; L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.31Å; L239-A243 PolarHBondContact O-N 3.5Å
240K81.5Confident66.8Low153 Ų153107.7 Ų107.767%0.66559%0.593SS**Hα-helixtrans-64.5-39.6174.2-170.6177.5-178.3-176.50112A236 E237 A243 N244A236-K240 VanDerWaalsContact O-CB 3.23Å; A236-K240 WeakPolarHBondContact O-CB 3.26Å; A236-K240 PolarHBondContact O-N 3.34Å; E237-K240 PolarHBondContact O-N 3.27Å; K240-A243 PolarHBondContact O-N 2.97Å; K240-N244 WeakPolarHBondContact O-CB 3.29Å; K240-N244 PolarHBondContact O-N 3.32Å
241A76.9Confident66.6Low57 Ų57104.6 Ų104.647%0.47158%0.578SS.*Hα-helixtrans-66.5-44.9174.300000112E237 R238 N244 M245E237-A241 WeakPolarHBondContact O-CB 3.2Å; E237-A241 PolarHBondContact O-N 3.26Å; R238-A241 PolarHBondContact O-N 3.36Å; A241-N244 PolarHBondContact O-N 3.39Å; A241-M245 PolarHBondContact O-N 3.48Å
242V80Confident66.7Low88 Ų88103.4 Ų103.453%0.53358%0.578SS.*Hα-helixtrans-61.6-44.7173.41700000110.9R238 L239 N244 M245 V246R238-V242 WeakPolarHBondContact O-CG2 3.25Å; R238-V242 PolarHBondContact O-N 2.95Å; L239-V242 PolarHBondContact O-N 3.03Å; V242-N244 VanDerWaalsContact C-N 3.32Å; V242-N244 PolarHBondContact O-N 3.48Å; V242-M245 PolarHBondContact O-N 2.96Å; V242-V246 HydrophobicContact CG1-CG2 4.47Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 2.87Å
243A74.6Confident66.6Low58 Ų58102.4 Ų102.448%0.47958%0.576SS.*Hα-helixtrans-61.6-38.6175.900000112.2L239 K240 V246 K247L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.31Å; L239-A243 PolarHBondContact O-N 3.5Å; K240-A243 PolarHBondContact O-N 2.97Å; A243-V246 PolarHBondContact O-N 2.93Å; A243-K247 VanDerWaalsContact O-CB 3.3Å; A243-K247 WeakPolarHBondContact O-CB 3.49Å; A243-K247 PolarHBondContact O-N 3.2Å
244N72.1Confident66.3Low93 Ų93105.3 Ų105.350%0.49760%0.596SS.*Hα-helixtrans-67.7-41.7173.3-119.55.4000111.8K240 A241 V242 V246 K247 I248K240-N244 WeakPolarHBondContact O-CB 3.29Å; K240-N244 PolarHBondContact O-N 3.32Å; A241-N244 PolarHBondContact O-N 3.39Å; V242-N244 VanDerWaalsContact C-N 3.32Å; V242-N244 PolarHBondContact O-N 3.48Å; N244-V246 VanDerWaalsContact C-N 3.33Å; N244-V246 PolarHBondContact O-N 3.44Å; N244-K247 WeakPolarHBondContact O-CB 3.47Å; N244-K247 PolarHBondContact O-N 3.37Å; N244-I248 WeakPolarHBondContact O-CB 3.3Å; N244-I248 WeakPolarHBondContact O-CD1 3.43Å; N244-I248 WeakPolarHBondContact O-CG1 3.32Å; N244-I248 PolarHBondContact O-N 3.25Å
245M70.2Confident65.7Low108 Ų108107 Ų10753%0.53261%0.608SS.*Hα-helixtrans-64-36.6174.7-75.7-162.174.400112.8A241 V242 R249A241-M245 PolarHBondContact O-N 3.48Å; V242-M245 PolarHBondContact O-N 2.96Å; M245-R249 WeakPolarHBondContact O-CB 3.49Å; M245-R249 WeakPolarHBondContact O-CG 3.1Å; M245-R249 PolarHBondContact O-N 3.03Å
246V69.4Low65.4Low88 Ų88108.3 Ų108.353%0.53362%0.616SS.*Hα-helixtrans-64.7-47170.6170.90000109.8V242 A243 N244 I248 R249 S250V242-V246 HydrophobicContact CG1-CG2 4.47Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 2.87Å; A243-V246 PolarHBondContact O-N 2.93Å; N244-V246 VanDerWaalsContact C-N 3.33Å; N244-V246 PolarHBondContact O-N 3.44Å; V246-I248 VanDerWaalsContact C-N 3.34Å; V246-I248 PolarHBondContact O-N 3.4Å; V246-R249 CarbonylContact O-C 3.38Å; V246-R249 WeakPolarHBondContact O-CA 3.44Å; V246-R249 PolarHBondContact O-N 2.85Å; V246-S250 WeakPolarHBondContact O-CB 3.16Å; V246-S250 PolarHBondContact O-N 2.84Å; V246-S250 PolarHBondContact O-OG 2.95Å
247K62.7Low64.7Low142 Ų142114.4 Ų114.462%0.61763%0.629SS**Hα-helixtrans-59.1-40.5178.2-169.5174.5-177.9178.90113A243 N244 R249 S250 S251A243-K247 VanDerWaalsContact O-CB 3.3Å; A243-K247 WeakPolarHBondContact O-CB 3.49Å; A243-K247 PolarHBondContact O-N 3.2Å; N244-K247 WeakPolarHBondContact O-CB 3.47Å; N244-K247 PolarHBondContact O-N 3.37Å; K247-R249 VanDerWaalsContact C-N 3.27Å; K247-R249 PolarHBondContact O-N 2.9Å; K247-S250 WeakPolarHBondContact CA-OG 3.21Å; K247-S250 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-OG 3.14Å; K247-S251 PolarHBondContact O-N 2.81Å; K247-S251 PolarHBondContact O-OG 3.02Å
248I57Low63.9Low123 Ų123113.2 Ų113.263%0.63163%0.631SS**Hα-helixtrans-67.5-27.9175.7-66.6160.1000111.5N244 V246N244-I248 WeakPolarHBondContact O-CB 3.3Å; N244-I248 WeakPolarHBondContact O-CD1 3.43Å; N244-I248 WeakPolarHBondContact O-CG1 3.32Å; N244-I248 PolarHBondContact O-N 3.25Å; V246-I248 VanDerWaalsContact C-N 3.34Å; V246-I248 PolarHBondContact O-N 3.4Å
249R57.4Low63.2Low203 Ų203110 Ų11077%0.76663%0.63SS**Hα-helixtrans-94.4-15177.8-69.9179176.3-159.4-0.8114.6M245 V246 K247M245-R249 WeakPolarHBondContact O-CB 3.49Å; M245-R249 WeakPolarHBondContact O-CG 3.1Å; M245-R249 PolarHBondContact O-N 3.03Å; V246-R249 CarbonylContact O-C 3.38Å; V246-R249 WeakPolarHBondContact O-CA 3.44Å; V246-R249 PolarHBondContact O-N 2.85Å; K247-R249 VanDerWaalsContact C-N 3.27Å; K247-R249 PolarHBondContact O-N 2.9Å
250S51.2Low62.4Low81 Ų81109.1 Ų109.157%0.56663%0.63SS**Hα-helixtrans-93.3-11.1176.866.40000113.3V246 K247 P252V246-S250 WeakPolarHBondContact O-CB 3.16Å; V246-S250 PolarHBondContact O-N 2.84Å; V246-S250 PolarHBondContact O-OG 2.95Å; K247-S250 WeakPolarHBondContact CA-OG 3.21Å; K247-S250 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-OG 3.14Å; S250-P252 WeakPolarHBondContact O-CD 3.28Å
251S45.3Very low62Low77 Ų77104.4 Ų104.454%0.53862%0.62SS.*SBendtrans-59.4124.3162.4-65.40000109.2K247 A253K247-S251 PolarHBondContact O-N 2.81Å; K247-S251 PolarHBondContact O-OG 3.02Å; S251-A253 PolarHBondContact O-N 2.92Å
252P47.4Very low61.7Low123 Ų123105 Ų10580%0.79962%0.62SS**  trans-60.3112.5169.9-20.632.9000108.6S250S250-P252 WeakPolarHBondContact O-CD 3.28Å
253A49.5Very low61.4Low87 Ų87103 Ų10372%0.71961%0.61SS**PPolyproline II helixtrans-58.5130.7170.400000107.8S251 S255S251-A253 PolarHBondContact O-N 2.92Å; A253-S255 PolarHBondContact O-N 3.03Å
254P49.5Very low61.7Low125 Ų125105.6 Ų105.681%0.81261%0.612SS**PPolyproline II helixtrans-52.3121174.6-26.234.7000108.9
255S51.1Low62.1Low99 Ų99106.1 Ų106.169%0.69261%0.614SS**PPolyproline II helixtrans-52.3130.8-175.953.30000109.1A253 K257A253-S255 PolarHBondContact O-N 3.03Å; S255-K257 PolarHBondContact O-N 3.08Å
256P59.3Low62.6Low123 Ų123103.4 Ų103.480%0.79961%0.609SS**PPolyproline II helixtrans-54.7122.2-18023.3-33.1000108
257K62.5Low63.1Low196 Ų196105.1 Ų105.185%0.85261%0.614SS**PPolyproline II helixtrans-48.7126.5-177.2-65.4-179.3179.5-178.20107.7S255 S259S255-K257 PolarHBondContact O-N 3.08Å; K257-S259 PolarHBondContact O-N 3.34Å
258P60.1Low64Low88 Ų88103.4 Ų103.457%0.57161%0.612SS**PPolyproline II helixtrans-54.4130.9-178.722.6-32.7000108C262P258-C262 HydrophobicContact CB-CB 4.41Å
259S64.3Low65.3Low76 Ų76103.1 Ų103.153%0.53161%0.611SS.*PPolyproline II helixtrans-57.2149.9-178.463.50000109.4K257 A261 C262 S263K257-S259 PolarHBondContact O-N 3.34Å; S259-A261 PolarHBondContact O-N 3.4Å; S259-C262 WeakPolarHBondContact O-CA 3.4Å; S259-C262 WeakPolarHBondContact O-CB 3.48Å; S259-C262 PolarHBondContact O-N 3.38Å; S259-C262 WeakPolarHBondContact OG-CB 3.35Å; S259-C262 PolarHBondContact OG-N 3.43Å; S259-S263 PolarHBondContact O-N 2.81Å; S259-S263 PolarHBondContact O-OG 2.83Å
260V68.9Low66.2Low103 Ų10397 Ų9762%0.62460%0.599SS**Hα-helixtrans-55-33.7-176.9179.60000111.5S263 Q264V260-S263 WeakPolarHBondContact CA-OG 3.46Å; V260-S263 PolarHBondContact O-OG 3.41Å; V260-S263 VanDerWaalsContact O-OG 3.07Å; V260-Q264 HydrophobicContact CG1-CG 4.45Å; V260-Q264 VanDerWaalsContact O-CB 3.29Å; V260-Q264 WeakPolarHBondContact O-CB 3.31Å; V260-Q264 WeakPolarHBondContact O-CG 3.47Å; V260-Q264 PolarHBondContact O-N 2.86Å
261A72.6Confident67.6Low55 Ų5596.4 Ų96.446%0.45560%0.595SS.*Hα-helixtrans-66.2-38.4171.700000113.6S259 Q264 L265S259-A261 PolarHBondContact O-N 3.4Å; A261-Q264 PolarHBondContact O-N 3.44Å; A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 VanDerWaalsContact O-CG 3.24Å; A261-L265 WeakPolarHBondContact O-CG 3.31Å; A261-L265 PolarHBondContact O-N 2.96Å
262C70.4Confident69.6Low69 Ų6997.8 Ų97.847%0.46659%0.593SS.*Hα-helixtrans-69.5-40.1177.4-173.60000111.9P258 S259 L265 A266P258-C262 HydrophobicContact CB-CB 4.41Å; S259-C262 WeakPolarHBondContact O-CA 3.4Å; S259-C262 WeakPolarHBondContact O-CB 3.48Å; S259-C262 PolarHBondContact O-N 3.38Å; S259-C262 WeakPolarHBondContact OG-CB 3.35Å; S259-C262 PolarHBondContact OG-N 3.43Å; C262-L265 PolarHBondContact O-N 2.87Å; C262-A266 WeakPolarHBondContact O-CB 3.26Å; C262-A266 PolarHBondContact O-N 2.78Å
263S73.6Confident71.3Confident46 Ų4694.6 Ų94.632%0.32258%0.577SS.*Hα-helixtrans-69.5-37.1172.651.30000112.5S259 V260 A266 L267S259-S263 PolarHBondContact O-N 2.81Å; S259-S263 PolarHBondContact O-OG 2.83Å; V260-S263 WeakPolarHBondContact CA-OG 3.46Å; V260-S263 PolarHBondContact O-OG 3.41Å; V260-S263 VanDerWaalsContact O-OG 3.07Å; S263-A266 PolarHBondContact O-N 3.35Å; S263-L267 WeakPolarHBondContact O-CB 3.44Å; S263-L267 WeakPolarHBondContact O-CG 3.33Å; S263-L267 PolarHBondContact O-N 3.46Å
264Q81.8Confident72.9Confident112 Ų11296.5 Ų96.552%0.52357%0.57SS.*Hα-helixtrans-62.6-43.5171.5-77.4170.9-6.300112.4V260 A261 L267 L268V260-Q264 HydrophobicContact CG1-CG 4.45Å; V260-Q264 VanDerWaalsContact O-CB 3.29Å; V260-Q264 WeakPolarHBondContact O-CB 3.31Å; V260-Q264 WeakPolarHBondContact O-CG 3.47Å; V260-Q264 PolarHBondContact O-N 2.86Å; A261-Q264 PolarHBondContact O-N 3.44Å; Q264-L267 PolarHBondContact O-N 3.25Å; Q264-L268 WeakPolarHBondContact O-CB 3.19Å; Q264-L268 VanDerWaalsContact O-CG 3.32Å; Q264-L268 WeakPolarHBondContact O-CG 3.49Å; Q264-L268 PolarHBondContact O-N 3.06Å
265L79.6Confident74.7Confident105 Ų10596.1 Ų96.155%0.5556%0.561SS.*Hα-helixtrans-64.5-39.8174.5-73.8169.9000111.9A261 C262 L268 L269A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 VanDerWaalsContact O-CG 3.24Å; A261-L265 WeakPolarHBondContact O-CG 3.31Å; A261-L265 PolarHBondContact O-N 2.96Å; C262-L265 PolarHBondContact O-N 2.87Å; L265-L268 PolarHBondContact O-N 2.66Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.39Å; L265-L269 PolarHBondContact O-N 3.33Å
266A80.6Confident76.4Confident51 Ų5196.9 Ų96.942%0.42155%0.554SS.*Hα-helixtrans-63.2-40.8174.600000112.2C262 S263 S270C262-A266 WeakPolarHBondContact O-CB 3.26Å; C262-A266 PolarHBondContact O-N 2.78Å; S263-A266 PolarHBondContact O-N 3.35Å; A266-S270 VanDerWaalsContact O-CB 3.27Å; A266-S270 WeakPolarHBondContact O-CB 3.38Å; A266-S270 PolarHBondContact O-N 2.81Å; A266-S270 PolarHBondContact O-OG 3.49Å
267L79.5Confident77.5Confident123 Ų12396.3 Ų96.364%0.64454%0.54SS*.Hα-helixtrans-67.1-43.3174.9-73.4168.9000112.1S263 Q264 S270 S271S263-L267 WeakPolarHBondContact O-CB 3.44Å; S263-L267 WeakPolarHBondContact O-CG 3.33Å; S263-L267 PolarHBondContact O-N 3.46Å; Q264-L267 PolarHBondContact O-N 3.25Å; L267-S270 PolarHBondContact O-N 2.97Å; L267-S271 WeakPolarHBondContact O-CB 3.42Å; L267-S271 PolarHBondContact O-N 3.06Å; L267-S271 PolarHBondContact O-OG 3.4Å
268L83.4Confident78.6Confident107 Ų10792.6 Ų92.656%0.5652%0.522SS*.Hα-helixtrans-59.4-52.5175.3-78.1163.9000111.1Q264 L265 S270 S271 E272Q264-L268 WeakPolarHBondContact O-CB 3.19Å; Q264-L268 VanDerWaalsContact O-CG 3.32Å; Q264-L268 WeakPolarHBondContact O-CG 3.49Å; Q264-L268 PolarHBondContact O-N 3.06Å; L265-L268 PolarHBondContact O-N 2.66Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 2.83Å; L268-S271 PolarHBondContact O-N 3.12Å; L268-S271 VanDerWaalsContact O-N 3.13Å; L268-S271 PolarHBondContact O-OG 3.37Å; L268-E272 PolarHBondContact O-N 2.88Å
269L82.6Confident79.9Confident117 Ų11792 Ų9261%0.61352%0.52SS*.Hα-helixtrans-61.6-35.9177.6-69.1169.1000112.4L265 A273L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.39Å; L265-L269 PolarHBondContact O-N 3.33Å; L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 3.07Å
270S78.1Confident81.1Confident74 Ų7497.3 Ų97.352%0.51753%0.528SS..Hα-helixtrans-67.8-40.9174-58.70000111.9A266 L267 L268 A273 H274A266-S270 VanDerWaalsContact O-CB 3.27Å; A266-S270 WeakPolarHBondContact O-CB 3.38Å; A266-S270 PolarHBondContact O-N 2.81Å; A266-S270 PolarHBondContact O-OG 3.49Å; L267-S270 PolarHBondContact O-N 2.97Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 2.83Å; S270-A273 PolarHBondContact O-N 2.77Å; S270-H274 WeakPolarHBondContact O-CB 3.29Å; S270-H274 PolarHBondContact O-N 3.38Å
271S79.3Confident81.9Confident69 Ų6997.3 Ų97.348%0.48352%0.521SS..Hα-helixtrans-67.7-36.4177.273.40000112.4L267 L268 H274 L275L267-S271 WeakPolarHBondContact O-CB 3.42Å; L267-S271 PolarHBondContact O-N 3.06Å; L267-S271 PolarHBondContact O-OG 3.4Å; L268-S271 PolarHBondContact O-N 3.12Å; L268-S271 VanDerWaalsContact O-N 3.13Å; L268-S271 PolarHBondContact O-OG 3.37Å; S271-H274 PolarHBondContact O-N 2.87Å; S271-L275 WeakPolarHBondContact O-CB 3.41Å; S271-L275 PolarHBondContact O-N 3.23Å
272E87.1Confident82.5Confident106 Ų10699 Ų9950%0.49552%0.52SS..Hα-helixtrans-72.5-41.4175.1-165.4179.6156.200111.4L268 H274 L275 Q276L268-E272 PolarHBondContact O-N 2.88Å; E272-H274 VanDerWaalsContact C-N 3.29Å; E272-H274 PolarHBondContact O-N 3.27Å; E272-L275 PolarHBondContact O-N 2.96Å; E272-Q276 HydrophobicContact CG-CG 4.41Å; E272-Q276 WeakPolarHBondContact O-CB 3.48Å; E272-Q276 VanDerWaalsContact O-CG 3.29Å; E272-Q276 WeakPolarHBondContact O-CG 3.36Å; E272-Q276 PolarHBondContact O-N 3.39Å; E272-Q276 PolarHBondContact OE1-NE2 2.84Å
273A83.8Confident83.2Confident56 Ų5698 Ų9846%0.46352%0.516SS..Hα-helixtrans-58.7-41.4172.300000111.8L269 S270 Q276 Q277L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 3.07Å; S270-A273 PolarHBondContact O-N 2.77Å; A273-Q276 PolarHBondContact O-N 2.83Å; A273-Q277 WeakPolarHBondContact O-CB 3.41Å; A273-Q277 PolarHBondContact O-N 3.34Å
274H83.5Confident83.6Confident126 Ų12699.8 Ų99.858%0.58352%0.522SS*.Hα-helixtrans-65.9-40.1174.7-171.5-102.2000112.3S270 S271 E272 Q277 Y278S270-H274 WeakPolarHBondContact O-CB 3.29Å; S270-H274 PolarHBondContact O-N 3.38Å; S271-H274 PolarHBondContact O-N 2.87Å; E272-H274 VanDerWaalsContact C-N 3.29Å; E272-H274 PolarHBondContact O-N 3.27Å; H274-Q277 PolarHBondContact O-N 3.25Å; H274-Y278 WeakPolarHBondContact O-CB 3.29Å; H274-Y278 PolarHBondContact O-N 3.03Å
275L86.7Confident83.7Confident117 Ų117101.4 Ų101.461%0.61353%0.527SS*.Hα-helixtrans-66.2-39.3174.9-17861.6000112.2S271 E272 Y278 S279S271-L275 WeakPolarHBondContact O-CB 3.41Å; S271-L275 PolarHBondContact O-N 3.23Å; E272-L275 PolarHBondContact O-N 2.96Å; L275-Y278 PolarHBondContact O-N 3.12Å; L275-S279 WeakPolarHBondContact O-CB 3.48Å; L275-S279 PolarHBondContact O-N 2.84Å
276Q86.8Confident83.6Confident116 Ų11698.9 Ų98.954%0.54252%0.521SS..Hα-helixtrans-66.3-39.9174.4-70.9178.218.200111.3E272 A273 R280E272-Q276 HydrophobicContact CG-CG 4.41Å; E272-Q276 WeakPolarHBondContact O-CB 3.48Å; E272-Q276 VanDerWaalsContact O-CG 3.29Å; E272-Q276 WeakPolarHBondContact O-CG 3.36Å; E272-Q276 PolarHBondContact O-N 3.39Å; E272-Q276 PolarHBondContact OE1-NE2 2.84Å; A273-Q276 PolarHBondContact O-N 2.83Å; Q276-R280 VanDerWaalsContact O-CB 3.31Å; Q276-R280 WeakPolarHBondContact O-CB 3.29Å; Q276-R280 PolarHBondContact O-N 3.2Å
277Q83.1Confident83.4Confident110 Ų110102.7 Ų102.751%0.51453%0.53SS..Hα-helixtrans-63.8-50.7172.4179.5174.3-20.400111.2A273 H274 S279 R280 E281A273-Q277 WeakPolarHBondContact O-CB 3.41Å; A273-Q277 PolarHBondContact O-N 3.34Å; H274-Q277 PolarHBondContact O-N 3.25Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-S279 PolarHBondContact O-N 3.04Å; Q277-R280 WeakPolarHBondContact O-CB 3.37Å; Q277-R280 PolarHBondContact O-N 3.05Å; Q277-R280 VanDerWaalsContact O-N 3.12Å; Q277-E281 HydrophobicContact CG-CG 4.42Å; Q277-E281 VanDerWaalsContact CG-OE1 3.26Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.24Å; Q277-E281 PolarHBondContact NE2-OE1 3.42Å; Q277-E281 WeakPolarHBondContact O-CG 3.23Å; Q277-E281 PolarHBondContact O-N 3.24Å
278Y85.6Confident82.9Confident119 Ų119102.4 Ų102.447%0.46753%0.529SS..Hα-helixtrans-58.2-44178.4-171.4-90.5000111.5H274 L275 E281 H282H274-Y278 WeakPolarHBondContact O-CB 3.29Å; H274-Y278 PolarHBondContact O-N 3.03Å; L275-Y278 PolarHBondContact O-N 3.12Å; Y278-E281 PolarHBondContact O-N 3.39Å; Y278-H282 AromaticContact CE1-CD2 3.55Å; Y278-H282 AromaticContact CZ-CD2 3.59Å; Y278-H282 AromaticContact CZ-NE2 3.95Å; Y278-H282 WeakPolarHBondContact O-CB 3.28Å; Y278-H282 PolarHBondContact O-N 3.22Å; Y278-H282 PolarHBondContact OH-NE2 3.28Å
279S86.2Confident82.3Confident76 Ų7699.8 Ų99.853%0.53152%0.519SS..Hα-helixtrans-60.2-44.8174.6-177.80000112.3L275 Q277 H282 A283L275-S279 WeakPolarHBondContact O-CB 3.48Å; L275-S279 PolarHBondContact O-N 2.84Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-S279 PolarHBondContact O-N 3.04Å; S279-H282 PolarHBondContact O-N 3.23Å; S279-A283 WeakPolarHBondContact O-CB 3.08Å; S279-A283 PolarHBondContact O-N 3.25Å
280R90.2Very high81.3Confident186 Ų18695.3 Ų95.370%0.70250%0.502SS*.Hα-helixtrans-63.7-43.1176-178.3178.3-179.8171.90.1112.2Q276 Q277 A283 L284Q276-R280 VanDerWaalsContact O-CB 3.31Å; Q276-R280 WeakPolarHBondContact O-CB 3.29Å; Q276-R280 PolarHBondContact O-N 3.2Å; Q277-R280 WeakPolarHBondContact O-CB 3.37Å; Q277-R280 PolarHBondContact O-N 3.05Å; Q277-R280 VanDerWaalsContact O-N 3.12Å; R280-A283 PolarHBondContact O-N 3.41Å; R280-L284 HydrophobicContact CG-CD1 4.19Å; R280-L284 WeakPolarHBondContact O-CB 3.3Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.49Å; R280-L284 PolarHBondContact O-N 3.48Å
281E85.1Confident80.6Confident104 Ų104100 Ų10049%0.48651%0.508SS..Hα-helixtrans-65.8-42176.2-74-179.7-155.300111.4Q277 Y278 L284 K285Q277-E281 HydrophobicContact CG-CG 4.42Å; Q277-E281 VanDerWaalsContact CG-OE1 3.26Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.24Å; Q277-E281 PolarHBondContact NE2-OE1 3.42Å; Q277-E281 WeakPolarHBondContact O-CG 3.23Å; Q277-E281 PolarHBondContact O-N 3.24Å; Y278-E281 PolarHBondContact O-N 3.39Å; E281-L284 PolarHBondContact O-N 2.86Å; E281-K285 WeakPolarHBondContact O-CB 3.2Å; E281-K285 PolarHBondContact O-N 3.06Å
282H84.8Confident79.9Confident90 Ų9098 Ų9842%0.41750%0.495SS..Hα-helixtrans-64.7-39.3174.7-120.4-95.7000112.4Y278 S279 K285 A286Y278-H282 AromaticContact CE1-CD2 3.55Å; Y278-H282 AromaticContact CZ-CD2 3.59Å; Y278-H282 AromaticContact CZ-NE2 3.95Å; Y278-H282 WeakPolarHBondContact O-CB 3.28Å; Y278-H282 PolarHBondContact O-N 3.22Å; Y278-H282 PolarHBondContact OH-NE2 3.28Å; S279-H282 PolarHBondContact O-N 3.23Å; H282-K285 PolarHBondContact O-N 2.94Å; H282-A286 VanDerWaalsContact O-CB 3.31Å; H282-A286 WeakPolarHBondContact O-CB 3.28Å; H282-A286 PolarHBondContact O-N 3.48Å
283A85.1Confident78.8Confident48 Ų4894.1 Ų94.140%0.39748%0.48SS..Hα-helixtrans-64.7-43.7175.200000111.9S279 R280 A286 Q287S279-A283 WeakPolarHBondContact O-CB 3.08Å; S279-A283 PolarHBondContact O-N 3.25Å; R280-A283 PolarHBondContact O-N 3.41Å; A283-A286 PolarHBondContact O-N 2.83Å; A283-Q287 WeakPolarHBondContact O-CG 3.5Å; A283-Q287 PolarHBondContact O-N 3.38Å
284L82.8Confident78.2Confident83 Ų8394.7 Ų94.744%0.43548%0.481SS..Hα-helixtrans-65.7-42.5174.6-71.6170.2000111.7R280 E281 A286 Q287 L288R280-L284 HydrophobicContact CG-CD1 4.19Å; R280-L284 WeakPolarHBondContact O-CB 3.3Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.49Å; R280-L284 PolarHBondContact O-N 3.48Å; E281-L284 PolarHBondContact O-N 2.86Å; L284-A286 VanDerWaalsContact C-N 3.33Å; L284-A286 PolarHBondContact O-N 2.84Å; L284-Q287 PolarHBondContact O-N 2.92Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.49Å
285K83.6Confident77.8Confident146 Ų14695.3 Ų95.364%0.63548%0.484SS*.Hα-helixtrans-61.3-39.6175.6-169.3174.4-177179.50111.5E281 H282 S289E281-K285 WeakPolarHBondContact O-CB 3.2Å; E281-K285 PolarHBondContact O-N 3.06Å; H282-K285 PolarHBondContact O-N 2.94Å; K285-S289 WeakPolarHBondContact O-CB 3.4Å; K285-S289 PolarHBondContact O-N 2.8Å
286A78.6Confident77.2Confident52 Ų5294 Ų9443%0.4347%0.471SS..Hα-helixtrans-67.4-43.8173.100000112.6H282 A283 L284 L288 S289 G290H282-A286 VanDerWaalsContact O-CB 3.31Å; H282-A286 WeakPolarHBondContact O-CB 3.28Å; H282-A286 PolarHBondContact O-N 3.48Å; A283-A286 PolarHBondContact O-N 2.83Å; L284-A286 VanDerWaalsContact C-N 3.33Å; L284-A286 PolarHBondContact O-N 2.84Å; A286-L288 PolarHBondContact O-N 3.42Å; A286-S289 PolarHBondContact O-N 3.17Å; A286-G290 PolarHBondContact O-N 3.01Å
287Q75.2Confident76.9Confident131 Ų13193.9 Ų93.961%0.61247%0.473SS*.Hα-helixtrans-63.6-40.1176.4-74.7179.3600112.6A283 L284 G290 R291A283-Q287 WeakPolarHBondContact O-CG 3.5Å; A283-Q287 PolarHBondContact O-N 3.38Å; L284-Q287 PolarHBondContact O-N 2.92Å; Q287-G290 PolarHBondContact O-N 3.39Å; Q287-R291 PolarHBondContact O-N 3.08Å
288L70.5Confident76.5Confident117 Ų11790.9 Ų90.961%0.61347%0.468SS*.Hα-helixtrans-70.5-40.2175.5-67.9172.5000111.7L284 A286 G290 R291 S292L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.49Å; A286-L288 PolarHBondContact O-N 3.42Å; L288-G290 VanDerWaalsContact C-N 3.28Å; L288-G290 PolarHBondContact O-N 2.89Å; L288-R291 PolarHBondContact O-N 3.36Å; L288-R291 VanDerWaalsContact O-N 3.1Å; L288-S292 PolarHBondContact O-N 2.89Å
289S69.3Low75.8Confident52 Ų5287.6 Ų87.636%0.36447%0.465SS..Hα-helixtrans-59.4-39.2171-168.40000111.6K285 A286 G966 S967K285-S289 WeakPolarHBondContact O-CB 3.4Å; K285-S289 PolarHBondContact O-N 2.8Å; A286-S289 PolarHBondContact O-N 3.17Å; S289-G966 CarbonylContact C-O 3.42Å; S289-G966 WeakPolarHBondContact CB-O 3.4Å; S289-G966 CarbonylContact O-C 3.12Å; S289-G966 PolarHBondContact OG-O 3.07Å; S289-S967 CarbonylContact O-C 3.42Å; S289-S967 WeakPolarHBondContact O-CA 3.46Å; S289-S967 PolarHBondContact O-N 2.92Å
290G62.4Low75.2Confident24 Ų2488.5 Ų88.525%0.24746%0.462CS..Hα-helixtrans-68.1-28.5173.400000114.7A286 Q287 L288A286-G290 PolarHBondContact O-N 3.01Å; Q287-G290 PolarHBondContact O-N 3.39Å; L288-G290 VanDerWaalsContact C-N 3.28Å; L288-G290 PolarHBondContact O-N 2.89Å
291R64Low74.3Confident172 Ų17282.1 Ų82.165%0.64945%0.449SS*.Hα-helixtrans-70.5-38.9-179.4-89.6-172.1169.7-142.2-0.7114Q287 L288 A293 S294 E295Q287-R291 PolarHBondContact O-N 3.08Å; L288-R291 PolarHBondContact O-N 3.36Å; L288-R291 VanDerWaalsContact O-N 3.1Å; R291-A293 PolarHBondContact O-N 2.7Å; R291-A293 VanDerWaalsContact O-N 3.17Å; R291-S294 PolarHBondContact O-N 2.66Å; R291-S294 VanDerWaalsContact O-N 3.15Å; R291-S294 PolarHBondContact O-OG 3.45Å; R291-E295 VanDerWaalsContact O-CB 3.25Å; R291-E295 WeakPolarHBondContact O-CB 3.34Å; R291-E295 PolarHBondContact O-N 3.19Å
292S62.6Low73.5Confident28 Ų2883.2 Ų83.220%0.19646%0.458CS..Hα-helixtrans-57.5-33.4178.4-177.60000112.2L288 R296 L968 N969L288-S292 PolarHBondContact O-N 2.89Å; S292-R296 PolarHBondContact O-N 3.49Å; S292-R296 VanDerWaalsContact O-N 3.14Å; S292-L968 PolarHBondContact OG-O 2.88Å; S292-N969 PolarHBondContact OG-O 3.44Å
293A65.6Low72.3Confident23 Ų2386.2 Ų86.219%0.1947%0.472CS..Hα-helixtrans-62.9-53.1174.400000112.7R291 L297 S967 L968R291-A293 PolarHBondContact O-N 2.7Å; R291-A293 VanDerWaalsContact O-N 3.17Å; A293-L297 WeakPolarHBondContact O-CB 3.4Å; A293-L297 WeakPolarHBondContact O-CD1 3.41Å; A293-L297 VanDerWaalsContact O-CG 3.27Å; A293-L297 WeakPolarHBondContact O-CG 3.27Å; A293-L297 PolarHBondContact O-N 2.94Å; A293-S967 WeakPolarHBondContact CA-O 3.43Å; A293-S967 WeakPolarHBondContact CB-O 3.47Å; A293-S967 PolarHBondContact N-O 3.18Å; A293-S967 VanDerWaalsContact N-O 3.1Å; A293-L968 HydrophobicContact CB-CD1 4.47Å
294S70.6Confident71.1Confident69 Ų6991.8 Ų91.848%0.48349%0.49SS..Hα-helixtrans-71.6-30.6179.951.60000112.5R291 L297 A298R291-S294 PolarHBondContact O-N 2.66Å; R291-S294 VanDerWaalsContact O-N 3.15Å; R291-S294 PolarHBondContact O-OG 3.45Å; S294-L297 PolarHBondContact O-N 2.81Å; S294-A298 VanDerWaalsContact O-CB 3.23Å; S294-A298 WeakPolarHBondContact O-CB 3.23Å; S294-A298 PolarHBondContact O-N 2.95Å
295E75.6Confident69.7Low139 Ų13996.6 Ų96.665%0.6551%0.51SS*.Hα-helixtrans-66.9-46.9178.5-173.5166.4-177.900112.2R291 L297 A298 A299R291-E295 VanDerWaalsContact O-CB 3.25Å; R291-E295 WeakPolarHBondContact O-CB 3.34Å; R291-E295 PolarHBondContact O-N 3.19Å; E295-L297 PolarHBondContact O-N 3.34Å; E295-A298 PolarHBondContact O-N 3.36Å; E295-A299 WeakPolarHBondContact O-CB 3.45Å; E295-A299 PolarHBondContact O-N 3.26Å
296R74.3Confident68.1Low90 Ų9092.1 Ų92.134%0.3451%0.506SS..Hα-helixtrans-65.3-37172.7-83.8176.548-161.2-10113.3S292 A299 M300 L968 N969S292-R296 PolarHBondContact O-N 3.49Å; S292-R296 VanDerWaalsContact O-N 3.14Å; R296-A299 PolarHBondContact O-N 2.89Å; R296-M300 WeakPolarHBondContact O-CG 3.49Å; R296-M300 PolarHBondContact O-N 2.92Å; R296-L968 VanDerWaalsContact NH1-CD1 3.33Å; R296-N969 PolarHBondContact NH1-ND2 3.26Å; R296-N969 PolarHBondContact NH1-OD1 3.08Å
297L78.9Confident66.3Low112 Ų11297 Ų9759%0.58652%0.52SS*.Hα-helixtrans-67.8-41.1176.7-72.9169.8000111.2A293 S294 E295 M300 A301A293-L297 WeakPolarHBondContact O-CB 3.4Å; A293-L297 WeakPolarHBondContact O-CD1 3.41Å; A293-L297 VanDerWaalsContact O-CG 3.27Å; A293-L297 WeakPolarHBondContact O-CG 3.27Å; A293-L297 PolarHBondContact O-N 2.94Å; S294-L297 PolarHBondContact O-N 2.81Å; E295-L297 PolarHBondContact O-N 3.34Å; L297-M300 HydrophobicContact CD2-CE 3.88Å; L297-M300 PolarHBondContact O-N 3.38Å; L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-A301 PolarHBondContact O-N 2.8Å
298A75.6Confident64.5Low48 Ų4898.6 Ų98.640%0.39753%0.532SS..Hα-helixtrans-64.8-40.5173.100000112.1S294 E295 M300 A301 N302S294-A298 VanDerWaalsContact O-CB 3.23Å; S294-A298 WeakPolarHBondContact O-CB 3.23Å; S294-A298 PolarHBondContact O-N 2.95Å; E295-A298 PolarHBondContact O-N 3.36Å; A298-M300 VanDerWaalsContact C-N 3.34Å; A298-M300 PolarHBondContact O-N 3.23Å; A298-A301 PolarHBondContact O-N 2.86Å; A298-N302 WeakPolarHBondContact O-CB 3.46Å; A298-N302 VanDerWaalsContact O-CG 3.24Å; A298-N302 PolarHBondContact O-N 3.42Å; A298-N302 PolarHBondContact O-ND2 2.83Å
299A71.4Confident63.2Low49 Ų49101.8 Ų101.841%0.40554%0.541SS..Hα-helixtrans-61.4-40.5174.500000112.2E295 R296 Q303E295-A299 WeakPolarHBondContact O-CB 3.45Å; E295-A299 PolarHBondContact O-N 3.26Å; R296-A299 PolarHBondContact O-N 2.89Å; A299-Q303 WeakPolarHBondContact O-CG 3.46Å; A299-Q303 PolarHBondContact O-N 3.42Å
300M74.1Confident61.9Low96 Ų96110.8 Ų110.847%0.47357%0.567SS.*Hα-helixtrans-71.9-37.9174.6-69.3-171.4-57.700112.7R296 L297 A298 Q303 Q304R296-M300 WeakPolarHBondContact O-CG 3.49Å; R296-M300 PolarHBondContact O-N 2.92Å; L297-M300 HydrophobicContact CD2-CE 3.88Å; L297-M300 PolarHBondContact O-N 3.38Å; A298-M300 VanDerWaalsContact C-N 3.34Å; A298-M300 PolarHBondContact O-N 3.23Å; M300-Q303 PolarHBondContact O-N 2.85Å; M300-Q304 PolarHBondContact O-N 3.46Å
301A70.4Confident61.1Low52 Ų52114.7 Ų114.743%0.4359%0.588SS.*Hα-helixtrans-62.2-43.1174.600000111.8L297 A298 Q303 Q304L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-A301 PolarHBondContact O-N 2.8Å; A298-A301 PolarHBondContact O-N 2.86Å; A301-Q303 VanDerWaalsContact C-N 3.3Å; A301-Q303 PolarHBondContact O-N 3.19Å; A301-Q304 PolarHBondContact O-N 3.32Å; A301-Q304 VanDerWaalsContact O-N 3.1Å
302N68.1Low60.6Low127 Ų127112.3 Ų112.368%0.67960%0.595SS**Hα-helixtrans-65.2-31.6175.9-70.9-17.2000112.5A298 Q304 H305A298-N302 WeakPolarHBondContact O-CB 3.46Å; A298-N302 VanDerWaalsContact O-CG 3.24Å; A298-N302 PolarHBondContact O-N 3.42Å; A298-N302 PolarHBondContact O-ND2 2.83Å; N302-Q304 VanDerWaalsContact C-N 3.35Å; N302-H305 PolarHBondContact O-N 3.19Å
303Q59.9Low59.1Low152 Ų152116.5 Ų116.571%0.7162%0.624SS**Hα-helixtrans-69-29.7171.7-74.8-178.52700113.2A299 M300 A301 H305 G306A299-Q303 WeakPolarHBondContact O-CG 3.46Å; A299-Q303 PolarHBondContact O-N 3.42Å; M300-Q303 PolarHBondContact O-N 2.85Å; A301-Q303 VanDerWaalsContact C-N 3.3Å; A301-Q303 PolarHBondContact O-N 3.19Å; Q303-H305 PolarHBondContact O-N 3.47Å; Q303-G306 PolarHBondContact O-N 3.24Å
304Q59.2Low57.5Low166 Ų166121.8 Ų121.878%0.77665%0.654SS**Hα-helixtrans-70.2-18.5178.4-72.9-173.9-14.700113.6M300 A301 N302 G306M300-Q304 PolarHBondContact O-N 3.46Å; A301-Q304 PolarHBondContact O-N 3.32Å; A301-Q304 VanDerWaalsContact O-N 3.1Å; N302-Q304 VanDerWaalsContact C-N 3.35Å; Q304-G306 VanDerWaalsContact C-N 3.29Å; Q304-G306 PolarHBondContact O-N 3.23Å
305H53.7Low55.7Low183 Ų183122.3 Ų122.385%0.84767%0.67SS**THydrogen-bonded Turntrans-80.6-2.3175.3-120.372000114.4N302 Q303N302-H305 PolarHBondContact O-N 3.19Å; Q303-H305 PolarHBondContact O-N 3.47Å
306G49.8Very low53.3Low53 Ų53119.5 Ų119.555%0.54668%0.679SS.*THydrogen-bonded Turntrans-948.5-174.700000116.6Q303 Q304Q303-G306 PolarHBondContact O-N 3.24Å; Q304-G306 VanDerWaalsContact C-N 3.29Å; Q304-G306 PolarHBondContact O-N 3.23Å
307Q41.6Very low51.1Low154 Ų154120.5 Ų120.572%0.7270%0.699SS**  trans-141.442.6-170-75.6-66.5-86.100114.9
308D36.4Very low48.7Very low164 Ų164120.2 Ų120.288%0.87771%0.706SS**  trans-83.5151.2161.1-149.7-16.3000111.4
309K44.2Very low46.3Very low185 Ų185125.1 Ų125.180%0.80473%0.726SS**  trans-111.7130.1-159.8-66.6179.6-177.3172.30113.5
310R42Very low44.4Very low241 Ų241129.7 Ų129.791%0.90975%0.749SS**  trans-78.7133.2169.4-167.1-178.9-174.7133.62.2111.5
311P45.7Very low42.4Very low106 Ų106131.5 Ų131.569%0.68877%0.765SS**  trans-79.8164.7170.532.3-34.2000112.9
312P53.1Low40.2Very low122 Ų122134 Ų13479%0.79278%0.78SS**  trans-110.3179.8-163.942-35.4000115.7
313S30.6Very low38.1Very low115 Ų115132.8 Ų132.880%0.80478%0.781SS**  trans73.3150.7179.5-125.60000114.6
314V33.5Very low36.7Very low135 Ų135133.3 Ų133.382%0.81879%0.788SS**  cis-125.1158.37.6-1700000109.6
315G31.3Very low35.3Very low79 Ų79129.9 Ų129.981%0.81478%0.783SS**  trans-88.1155.2176.300000114.2
316G26.2Very low34.3Very low81 Ų81127 Ų12784%0.83578%0.778SS**  trans-172.4134.2178.600000114.4
317S27.3Very low33.7Very low111 Ų111131.6 Ų131.678%0.77679%0.785SS**  trans-46.5157.2-175.4-154.90000120.5
318S28.4Very low33.2Very low105 Ų105131.4 Ų131.473%0.73479%0.789SS**  trans74135.2145.1-59.10000122.1
319D26Very low32.9Very low151 Ų151126.8 Ų126.881%0.80778%0.78SS**  trans-62.3150.5154.5-47-96.1000112.3
320T30.1Very low32.2Very low145 Ų145126.5 Ų126.589%0.8978%0.784SS**  -161.5153.5120.71.20000112.2
321V32.7Very low32Very low134 Ų134120.9 Ų120.981%0.81278%0.777SS**  trans-100.2143.5-179.9-70.30000112.2
322S23.8Very low31.3Very low105 Ų105122.7 Ų122.773%0.73479%0.786SS**  trans-177.1132.9149.6-85.50000108.5
323S24.7Very low30.5Very low101 Ų101121 Ų12171%0.70678%0.782SS**  cis71.7135.633.1102.20000112.8
324L30.8Very low30.8Very low164 Ų164121.1 Ų121.186%0.85978%0.778SS**  cis-161.2-166.6-1.5-159.765.3000108.6
325S30Very low31.1Very low94 Ų94122 Ų12266%0.65778%0.777SS**  trans80149.2166.6-145.40000114.8
326T31.1Very low31.2Very low122 Ų122124 Ų12475%0.74877%0.773SS**  cis-159.3153.517.7-400000108.3
327Q37.4Very low31.3Very low149 Ų149126 Ų12670%0.69677%0.77SS**  cis-171177.1-32-169.9171.3-36.200107.6
328N32Very low31.5Very low150 Ų150126.2 Ų126.280%0.80277%0.766SS**  trans82.4138.8167.6-45.4-39000117
329G29.1Very low31.7Very low68 Ų68128.7 Ų128.770%0.70177%0.77SS**  cis178.7167.8-6.700000113.3
330M30.7Very low32.3Very low178 Ų178127.6 Ų127.688%0.87777%0.772SS**  trans54.3115.6175.8-101.759.6114.400117.8
331T37.1Very low32.2Very low123 Ų123131.9 Ų131.976%0.75577%0.772SS**  cis94.782.424.777.30000117.8
332T31.7Very low32Very low144 Ų144131.8 Ų131.888%0.88377%0.772SS**  trans-156.3153.7150.247.50000108.7
333A35.9Very low32.1Very low86 Ų86131.4 Ų131.471%0.71177%0.774SS**  cis-178.9146.3-2500000107.3
334T37.7Very low32.2Very low119 Ų119131 Ų13173%0.7378%0.778SS**  cis-160.1165.6-25.2-57.50000106.1
335I38.9Very low32.1Very low154 Ų154129.7 Ų129.779%0.7978%0.776SS**  trans61.2163.9179.174.4165000114.7
336T33.1Very low31.9Very low119 Ų119132 Ų13273%0.7378%0.781SS**  cis-152.4170.5-5-7.50000106.4
337T29.6Very low32.2Very low125 Ų125131 Ų13177%0.76778%0.777SS**  cis-144.5-155.53.7-168.20000110.4
338T31.5Very low31.7Very low114 Ų114132.9 Ų132.970%0.69979%0.786SS**  trans-117.6137.8-160.455.70000116.5
339L31Very low31.4Very low157 Ų157130.9 Ų130.982%0.82278%0.784SS**  31.2157.5121.7-100.672.1000121.9
340P38.6Very low32Very low129 Ų129132.7 Ų132.784%0.83878%0.783SS**  cis-142.1-167.948.940.5-19.5000117.8
341R28Very low31.8Very low235 Ų235129.2 Ų129.289%0.88778%0.776SS**  trans-147.4143-170.7166.6-164.6-121.5-176.21111.8
342T28.5Very low31.3Very low132 Ų132131.5 Ų131.581%0.8178%0.783SS**  trans-147.1135.9160.645.60000108
343A26.7Very low31.2Very low96 Ų96133.1 Ų133.179%0.79378%0.78SS**  cis82.4132.845.500000113.5
344A27.8Very low30.7Very low94 Ų94136.2 Ų136.278%0.77778%0.78SS**  cis-108.9-111.2-3.900000113.2
345T27.3Very low30.6Very low135 Ų135138.6 Ų138.683%0.82878%0.78SS**  cis-161.5163.31.4-40.10000109.9
346N26.8Very low30.3Very low143 Ų143142.5 Ų142.577%0.76579%0.785SS**  trans-148.1151.4171.5-173.920.5000110.1
347P36.9Very low30.1Very low102 Ų102140.2 Ų140.266%0.66279%0.785SS**  -151.9146.8117.537.9-20.7000118.3
348Q26.1Very low30.2Very low187 Ų187142.5 Ų142.587%0.87479%0.785SS**  trans62.7157.1143.6-74.6169.8-89.100123.3
349S25.6Very low30.2Very low109 Ų109143.6 Ų143.676%0.76279%0.787SS**  trans-114.4-163.4-175.660.50000109.1
350P42.5Very low30.3Very low105 Ų105142.2 Ų142.268%0.68279%0.785SS**  cis-145.4-1719.445-24.9000118
351S25.7Very low30.2Very low106 Ų106147.3 Ų147.374%0.74179%0.787SS**  trans76.715715681.50000117.4
352L27.3Very low31.3Very low170 Ų170141.5 Ų141.589%0.8978%0.78SS**  cis-123175.611.4-97.3170.8000114.2
353Q29Very low31.4Very low178 Ų178141.7 Ų141.783%0.83278%0.781SS**  trans-105.1-176.4-178.4-70.4-170.1-10.900113.5
354E26.4Very low31.8Very low151 Ų151147.6 Ų147.671%0.70678%0.783SS**  trans86141.5168.4-58.5-144.3107.500117
355K35.5Very low33.4Very low169 Ų169147.9 Ų147.974%0.73578%0.777SS**  cis-140.8161.17.4-134.6165.5-176.280.50112
356R32.8Very low33.8Very low236 Ų236147.1 Ų147.189%0.89177%0.774SS**  trans-78155.5178-97.5176.7-79.5-176-5.6112.3
357G29Very low34.4Very low71 Ų71148.8 Ų148.873%0.73278%0.777SS**  trans-169.664.6176.800000115.1
358F30.3Very low34.2Very low173 Ų173150.3 Ų150.376%0.75979%0.785SS**  trans26.5127.2153.4-63.6-78.1000122.5
359D33.3Very low34.9Very low137 Ų137146.9 Ų146.973%0.73378%0.78SS**  41.3144.1122.2-77.1-53.8000121.9
360T31.6Very low35.9Very low128 Ų128146.5 Ų146.579%0.78578%0.778SS**  cis-145.8171.912.850000111.8
361R36.8Very low36.3Very low237 Ų237145.8 Ų145.889%0.89478%0.776SS**  trans-96.5-172.8164.8-48.3178.3174.6177.3-2.3110
362P50.6Low37.9Very low113 Ų113146.5 Ų146.573%0.73477%0.77SS**  cis-131.9-166.2-13.941.4-24.3000112.8
363T31.9Very low39.4Very low135 Ų135144 Ų14483%0.82876%0.757SS**  177.4162.6119.9-72.60000111.4
364R35.1Very low40.8Very low220 Ų220141.6 Ų141.683%0.8375%0.749SS**  trans-97.8178.9-173.7-121.8-155.6155.7151.8-6.1112.5
365P60.4Low42.3Very low101 Ų101139.4 Ų139.466%0.65674%0.742SS**  trans-86.2-176.2-162.839.7-42.1000114
366P36.1Very low43.4Very low119 Ų119136.6 Ų136.677%0.77374%0.735SS**  -139-173.7110.141.4-31.1000115.2
367Q38.7Very low44.2Very low177 Ų177131.8 Ų131.883%0.82773%0.726SS**  trans-58.6159.7175.2-56.3154.9-34.300113.4
368T34Very low45Very low134 Ų134134.2 Ų134.282%0.82272%0.722SS**  trans-162.8114.3134.87.10000111.7
369C40.7Very low45.6Very low115 Ų115131.1 Ų131.178%0.77771%0.713SS**  trans-84.6174.8144-67.20000108.4
370S47.1Very low46.4Very low102 Ų102133.3 Ų133.371%0.71372%0.719SS**  trans54.568.4173.261.50000117
371S50.7Low47.3Very low90 Ų90133.5 Ų133.563%0.62972%0.715SS**  trans-100.6-25.4160.456.90000113.7L373 L374 L375S371-L373 VanDerWaalsContact C-N 3.35Å; S371-L373 PolarHBondContact O-N 3.34Å; S371-L374 PolarHBondContact O-N 3.46Å; S371-L375 PolarHBondContact O-N 2.77Å
372L58.6Low47.3Very low120 Ų120128.8 Ų128.863%0.62871%0.708SS**Hα-helixtrans-61.1-38.8-175.8-164.276000113.1L375 L376L372-L375 PolarHBondContact O-N 2.67Å; L372-L376 HydrophobicContact CD2-CD1 4.36Å; L372-L376 HydrophobicContact CG-CD1 4.05Å; L372-L376 WeakPolarHBondContact O-CB 3.28Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 3.44Å
373L59.9Low46.8Very low117 Ų117132.2 Ų132.261%0.61371%0.714SS**Hα-helixtrans-66.3-41.1178.8-106.9164.7000112.4S371 L377S371-L373 VanDerWaalsContact C-N 3.35Å; S371-L373 PolarHBondContact O-N 3.34Å; L373-L377 HydrophobicContact CD2-CD1 4.34Å; L373-L377 WeakPolarHBondContact O-CB 3.2Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.48Å; L373-L377 PolarHBondContact O-N 3.32Å
374L57.2Low47.1Very low128 Ų128135.7 Ų135.767%0.6772%0.717SS**Hα-helixtrans-66.9-40.5173.2-90.170.7000111.1S371 L376 L377 N378S371-L374 PolarHBondContact O-N 3.46Å; L374-L376 PolarHBondContact O-N 2.99Å; L374-L377 PolarHBondContact O-N 3.37Å; L374-N378 WeakPolarHBondContact O-CB 3.39Å; L374-N378 PolarHBondContact O-N 3.01Å
375L59Low47Very low106 Ų106133 Ų13356%0.55571%0.714SS**Hα-helixtrans-64.4-40179.5-167.368000112S371 L372 N379S371-L375 PolarHBondContact O-N 2.77Å; L372-L375 PolarHBondContact O-N 2.67Å; L375-N379 PolarHBondContact O-N 2.93Å; L375-N379 PolarHBondContact O-ND2 3.38Å
376L58Low45.8Very low110 Ų110135 Ų13558%0.57672%0.719SS**Hα-helixtrans-69.3-46.4176.1-73.4167.3000112.1L372 L374 N378 N379L372-L376 HydrophobicContact CD2-CD1 4.36Å; L372-L376 HydrophobicContact CG-CD1 4.05Å; L372-L376 WeakPolarHBondContact O-CB 3.28Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 3.44Å; L374-L376 PolarHBondContact O-N 2.99Å; L376-N378 VanDerWaalsContact C-N 3.26Å; L376-N378 PolarHBondContact O-N 3.41Å; L376-N379 PolarHBondContact O-N 2.84Å; L376-N379 VanDerWaalsContact O-N 3.08Å
377L50.4Low45.9Very low134 Ų134134.6 Ų134.670%0.70271%0.714SS**Hα-helixtrans-65.3-29.3178.3-70.6170000112.7L373 L374 N379L373-L377 HydrophobicContact CD2-CD1 4.34Å; L373-L377 WeakPolarHBondContact O-CB 3.2Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.48Å; L373-L377 PolarHBondContact O-N 3.32Å; L374-L377 PolarHBondContact O-N 3.37Å; L377-N379 VanDerWaalsContact C-N 3.31Å
378N44.3Very low45.9Very low122 Ų122134.7 Ų134.765%0.65271%0.712SS**THydrogen-bonded Turntrans-80-6.3175-16234.3000113.8L374 L376L374-N378 WeakPolarHBondContact O-CB 3.39Å; L374-N378 PolarHBondContact O-N 3.01Å; L376-N378 VanDerWaalsContact C-N 3.26Å; L376-N378 PolarHBondContact O-N 3.41Å
379N43.8Very low45.8Very low108 Ų108136 Ų13658%0.57871%0.714SS**THydrogen-bonded Turntrans-98.58.3-177.4-98.9-90.3000114.4L375 L376 L377L375-N379 PolarHBondContact O-N 2.93Å; L375-N379 PolarHBondContact O-ND2 3.38Å; L376-N379 PolarHBondContact O-N 2.84Å; L376-N379 VanDerWaalsContact O-N 3.08Å; L377-N379 VanDerWaalsContact C-N 3.31Å
380H50.6Low45.3Very low183 Ų183134.5 Ų134.585%0.84772%0.718SS**SBendtrans-121.218.3-178.6-81.814.7000114.2
381N50.3Low44.4Very low132 Ų132137 Ų13771%0.70672%0.718SS**SBendtrans-146.2144.6166.6-160-2.6000109
382N36.9Very low43.5Very low139 Ų139140.1 Ų140.174%0.74373%0.727SS**  trans72.8136.6-155.7-47.3-75.6000113.1
383Q39.2Very low42.3Very low184 Ų184140 Ų14086%0.8672%0.723SS**  cis-131.9133.54.3-67.2176.7-38.100112.9
384K38Very low40.9Very low208 Ų208142.2 Ų142.290%0.90474%0.735SS**  trans-145.7106.3141.9-87.2-165.9177.6-175.60107.3
385Q32.6Very low39.8Very low165 Ų165142.1 Ų142.177%0.77173%0.734SS**  trans176152.3160.7-99-59-1.600109
386L34.8Very low38.4Very low143 Ų143143.3 Ų143.375%0.74975%0.751SS**  trans58.8116.9-176.6-75.670.2000114.7
387T40.1Very low37Very low109 Ų109141.2 Ų141.267%0.66976%0.757SS**  cis79.4110.430.583.40000116.3
388K37.4Very low36.1Very low179 Ų179143.6 Ų143.678%0.77877%0.769SS**  176.7124.8106.3-93171.6-178.5179.60114.2
389N32Very low35.4Very low162 Ų162145.7 Ų145.787%0.86678%0.779SS**  trans57.8125.3135.7-52.814.2000121.7
390G30.9Very low35.3Very low84 Ų84146 Ų14687%0.86679%0.787SS**  trans161117.5159.300000111.3
391H28Very low34.9Very low154 Ų154142.5 Ų142.571%0.71378%0.781SS**  trans-130.6145.5174.3104.7101.9000110.8E393H391-E393 IonicContact CE1-OE1 3.07Å; H391-E393 PolarHBondContact CE1-OE1 2.89Å; H391-E393 IonicContact ND1-OE1 2.83Å; H391-E393 PolarHBondContact ND1-OE1 3.36Å
392L31.2Very low33.7Very low155 Ų155142.1 Ų142.181%0.81279%0.789SS**  trans-155.5153.9139.6-153.567.3000110
393E34.3Very low33.2Very low117 Ų117139.4 Ų139.455%0.54779%0.793SS.*  trans-62.8163-176.5-39.1-5893.900114.4H391H391-E393 IonicContact CE1-OE1 3.07Å; H391-E393 PolarHBondContact CE1-OE1 2.89Å; H391-E393 IonicContact ND1-OE1 2.83Å; H391-E393 PolarHBondContact ND1-OE1 3.36Å
394D30.3Very low32.6Very low164 Ų164136.1 Ų136.188%0.87779%0.79SS**  -153.3163.7103.6-141.4-24.6000112.1
395I33.5Very low32Very low127 Ų127131.3 Ų131.365%0.65178%0.783SS**  trans-129.7125.4-159.8-58.4168.2000112.7
396S30.5Very low31.7Very low130 Ų130128.3 Ų128.391%0.90978%0.781SS**  trans-177.3136.4151.6-82.90000110.1
397G28Very low31.5Very low67 Ų67127.6 Ų127.669%0.69178%0.782SS**  cis173.6166.3-6.100000110.8
398L31.2Very low30.9Very low183 Ų183128.4 Ų128.496%0.95879%0.787SS**  trans74.8111.2174.1-50.8178.4000118.5
399L29.7Very low30.6Very low167 Ų167124 Ų12487%0.87478%0.779SS**  trans-101.6-177.4158.6-76.5168.8000108.4
400P41.4Very low30.5Very low114 Ų114123.6 Ų123.674%0.7478%0.776SS**  cis-123.2-144.2-37.934.6-12.6000108
401P42.6Very low30.5Very low110 Ų110123.8 Ų123.871%0.71476%0.764SS**  cis-135.4177.3-12.242.3-23.8000117.5
402S26.2Very low30.6Very low124 Ų124124.4 Ų124.487%0.86777%0.767SS**  trans3140.3150.2-46.60000121.9
403G26.3Very low30.4Very low82 Ų82122.5 Ų122.585%0.84577%0.766SS**  trans-165.5126.7161.900000113.8
404S25.1Very low30.2Very low114 Ų114122.4 Ų122.480%0.79778%0.778SS**  trans-106.3144.5-174.6-56.20000113.4
405S25.8Very low30.2Very low107 Ų107120.1 Ų120.175%0.74877%0.77SS**  trans65.4164.8141.370.20000121.7
406S26Very low30.1Very low103 Ų103121.9 Ų121.972%0.7278%0.775SS**  trans75.6128.7163.9-520000116.1
407V30.5Very low30Very low128 Ų128120.5 Ų120.578%0.77676%0.757SS**  cis89.2143.231.5-179.10000112.9
408T29.1Very low30.2Very low126 Ų126127.1 Ų127.177%0.77376%0.762SS**  trans80.6153-174.269.60000116.3
409S29.4Very low30.2Very low87 Ų87121.9 Ų121.961%0.60874%0.741SS**  cis-172.6-177-29.5-85.40000108.8
410D29.7Very low30.3Very low152 Ų152120.4 Ų120.481%0.81373%0.733SS**  trans71.2153.7148.9-51.8-37.6000119.6
411S31.8Very low30.1Very low88 Ų88120.4 Ų120.462%0.61573%0.731SS**  cis-158.4163.1-28.667.50000112.8
412E30.8Very low29.8Very low167 Ų167122.6 Ų122.678%0.7873%0.73SS**  trans59.8114.1143.2-71.3165.9126.700125.2
413C26.9Very low30Very low116 Ų116122.9 Ų122.978%0.78472%0.722SS**  67.9112119-61.50000123.7
414S28.7Very low30.2Very low115 Ų115123.4 Ų123.480%0.80471%0.712SS**  trans-156.3113.6135.5-1720000107.5
415V30.8Very low30.6Very low116 Ų116122.2 Ų122.270%0.70370%0.704SS**  91.6110.451.4172.60000113
416H31.6Very low31Very low164 Ų164123.6 Ų123.676%0.75970%0.703SS**  trans66.5153.9163.4-90.524.3000117.7
417D28.2Very low31.5Very low100 Ų100122.7 Ų122.754%0.53570%0.702SS.*  cis-146.1171-3-147.1-5000113.3
418R31.9Very low31.6Very low206 Ų206124.9 Ų124.978%0.77770%0.704SS**  trans29149.7146-79.4164.7-168.6-148.4-5.9122.8
419S31.3Very low31.9Very low74 Ų74124.2 Ų124.252%0.51770%0.704SS.*  cis171.6150.2-23.151.50000108.3
420N31.9Very low32.2Very low135 Ų135124.9 Ų124.972%0.72271%0.708SS**  trans61.8174.8154.387.657.6000115.1
421T36.7Very low32.3Very low114 Ų114127.7 Ų127.770%0.69971%0.709SS**  cis-140.1162.5-7.819.10000106.7
422K37.2Very low32.3Very low157 Ų157128.8 Ų128.868%0.68372%0.717SS**  cis175.8146.6-19.1163.1174.4171.7176.70108.2
423D29.7Very low32.2Very low130 Ų130125.8 Ų125.870%0.69571%0.714SS**  trans57.5154.4162.7-65.41.8000118.2
424S32.2Very low32.2Very low92 Ų92125.8 Ų125.864%0.64372%0.715SS**  cis-153.9165.7-20.253.10000107.4
425S32.7Very low32.6Very low89 Ų89125.4 Ų125.462%0.62271%0.712SS**  51.8139.255.47.70000113.1
426D34.2Very low32.7Very low137 Ų137125.5 Ų125.573%0.73372%0.715SS**  cis-143.3159-5-92.2-46.9000107.2
427A37Very low32.5Very low84 Ų84124.4 Ų124.469%0.69471%0.713SS**  cis79.5-176.14600000114.1
428E31.3Very low32.9Very low174 Ų174126.1 Ų126.181%0.81372%0.722SS**  trans69.4111.8-175.9-48.2-155.6101.300115.6
429S36.9Very low32.8Very low111 Ų111123.4 Ų123.478%0.77672%0.722SS**  cis81.491.420.8-46.60000116.9
430S34.5Very low32.9Very low101 Ų101124.9 Ų124.971%0.70673%0.732SS**  trans-177.8158.9149.9-810000107.8
431Y32.4Very low33.2Very low211 Ų211127.3 Ų127.383%0.82774%0.742SS**  cis-130.7148.414.9-71-95000108.6
432S31.9Very low33.1Very low111 Ų111133.4 Ų133.478%0.77675%0.752SS**  58.7136.865.3-160.90000113.1
433S28.1Very low33.3Very low104 Ų104128.8 Ų128.873%0.72775%0.749SS**  cis-127.3-163.512.460.50000110.9
434C26.5Very low33.9Very low117 Ų117133.7 Ų133.779%0.79176%0.758SS**  cis-156.4-172.18.4-149.50000112
435S36.9Very low34.1Very low106 Ų106134.6 Ų134.674%0.74176%0.764SS**  trans-120.9-166.8172.8-40.80000109.3
436P33.1Very low34.1Very low119 Ų119135.5 Ų135.577%0.77377%0.77SS**  cis-111.5-163.328.946.5-36.6000111.7
437I28.7Very low34.4Very low141 Ų141135.6 Ų135.672%0.72377%0.77SS**  cis-150.2159.34.9-159.9163000111.2L439I437-L439 HydrophobicContact CD1-CD1 4.23Å; I437-L439 HydrophobicContact CD1-CG 4.29Å; I437-L439 HydrophobicContact CG1-CG 4.38Å
438D36.7Very low34.2Very low136 Ų136139.2 Ų139.273%0.72777%0.772SS**  trans-138.8147.3148.217636.1000108.4
439L29.4Very low34.1Very low149 Ų149137.4 Ų137.478%0.7877%0.768SS**  trans-14887.3171.2-80.7-175.6000111.5I437I437-L439 HydrophobicContact CD1-CD1 4.23Å; I437-L439 HydrophobicContact CD1-CG 4.29Å; I437-L439 HydrophobicContact CG1-CG 4.38Å
440S33.8Very low33.8Very low104 Ų104138.5 Ų138.573%0.72777%0.771SS**  trans-57.8157151.2-1740000111.3R442S440-R442 PolarHBondContact O-N 3.4Å
441M37.9Very low33.5Very low187 Ų187137.2 Ų137.292%0.92177%0.774SS**  trans-73.2126.8-165.5-58.4-15879.600114.2
442R34Very low33.8Very low241 Ų241132.7 Ų132.791%0.90977%0.77SS**  trans-146.3138.6159-163.8177.8-172.5-160.61.8111.4S440S440-R442 PolarHBondContact O-N 3.4Å
443G41.9Very low33.8Very low60 Ų60137 Ų13762%0.61977%0.774SS**  trans-102.8144170.700000112.7
444R42.7Very low34.1Very low234 Ų234138.5 Ų138.588%0.88378%0.78SS**SBendtrans69.4109.3164.6-52.5-178.174.3-168.52.8118.4
445S36.6Very low34.8Very low111 Ų111136.5 Ų136.578%0.77677%0.767SS**  trans57.2127.9136.8600000123.2
446S31.5Very low35Very low107 Ų107138.1 Ų138.175%0.74877%0.766SS**  trans95.6119.6140.6-148.10000121.2
447L40Very low35.6Very low139 Ų139138 Ų13873%0.72876%0.76SS**  trans42.5129.9151.3-84.873.6000124.5
448Q33.4Very low36.3Very low160 Ų160139 Ų13975%0.74876%0.758SS**  trans73124.9134.2-75178.7-38.500125.1
449D28.5Very low36.8Very low136 Ų136138.6 Ų138.673%0.72776%0.756SS**  trans99.9129.4130.7-87.5-14.7000126.7
450T31.1Very low37.4Very low135 Ų135136.6 Ų136.683%0.82875%0.75SS**  trans19.3135.9154.759.10000123.6
451G29.3Very low38Very low74 Ų74138 Ų13876%0.76375%0.745SS**  trans153134.1153.500000115.6
452P37.5Very low38.3Very low116 Ų116133.4 Ų133.475%0.75373%0.731SS**  trans-111147-16839.2-33.7000118.7
453K32.1Very low39.1Very low200 Ų200128.6 Ų128.687%0.8772%0.723SS**  trans47.1117.6140-59.6175.1-178.1175.70121.3
454T34.1Very low39.5Very low137 Ų137132.9 Ų132.984%0.8473%0.731SS**  trans-150.3143.1140.733.70000112.8
455S41.3Very low39.5Very low75 Ų75127.9 Ų127.952%0.52472%0.722SS.*  trans37.8112.6159.961.50000120.7D457S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 WeakPolarHBondContact CA-OD2 3.34Å; S455-D457 VanDerWaalsContact CB-OD2 3.23Å; S455-D457 WeakPolarHBondContact CB-OD2 3.33Å
456L42.4Very low40.1Very low139 Ų139130.9 Ų130.973%0.72872%0.721SS**SBendtrans-78.5-12.6167.1177.558.2000112.8K458 L459L456-K458 PolarHBondContact O-N 2.73Å; L456-L459 HydrophobicContact CD1-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.13Å
457D44.6Very low40.7Very low118 Ų118135.1 Ų135.163%0.63172%0.72SS**THydrogen-bonded Turntrans-66.3-18.7-158.7-49.2-85.8000114.7S455 L459S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 WeakPolarHBondContact CA-OD2 3.34Å; S455-D457 VanDerWaalsContact CB-OD2 3.23Å; S455-D457 WeakPolarHBondContact CB-OD2 3.33Å; D457-L459 PolarHBondContact O-N 2.88Å
458K44.6Very low40.8Very low160 Ų160137.4 Ų137.470%0.69672%0.724SS**THydrogen-bonded Turntrans-80.9-9.3-175.1-69.8-176.4175.5177.10115.6L456L456-K458 PolarHBondContact O-N 2.73Å
459L46.9Very low40.8Very low129 Ų129135.7 Ų135.768%0.67573%0.727SS**THydrogen-bonded Turntrans-87.6-32.8178.9-66.5179.2000112.9L456 D457L456-L459 HydrophobicContact CD1-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.13Å; D457-L459 PolarHBondContact O-N 2.88Å
460T42Very low41.2Very low107 Ų107136.9 Ų136.966%0.65673%0.729SS**Hα-helixtrans-72.2-34.5-179.6-25.20000112.2S462 L463T460-S462 VanDerWaalsContact C-N 3.3Å; T460-S462 PolarHBondContact O-N 3.32Å; T460-L463 PolarHBondContact O-N 3.31Å
461E45.8Very low41.3Very low132 Ų132136.6 Ų136.662%0.61773%0.729SS**Hα-helixtrans-64.9-31.2-178.4-165.5171.3-142.500112.8L463E461-L463 VanDerWaalsContact C-N 3.34Å; E461-L463 PolarHBondContact O-N 3.46Å
462S44.6Very low41.4Very low91 Ų91137.6 Ų137.664%0.63672%0.724SS**Hα-helixtrans-65-32.4-180-172.90000113.8T460T460-S462 VanDerWaalsContact C-N 3.3Å; T460-S462 PolarHBondContact O-N 3.32Å
463L49.9Very low40.9Very low141 Ų141143 Ų14374%0.73873%0.73SS**Hα-helixtrans-80.4-25.6-175.4-85.2159.4000113.8T460 E461T460-L463 PolarHBondContact O-N 3.31Å; E461-L463 VanDerWaalsContact C-N 3.34Å; E461-L463 PolarHBondContact O-N 3.46Å
464L50.7Low40.8Very low149 Ų149138.4 Ų138.478%0.7872%0.723SS**Hα-helixtrans-85.8-24.6-171.7-155.767.8000113.6K466L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 2.91Å
465N42.6Very low40.6Very low129 Ų129138.1 Ų138.169%0.6972%0.721SS**G310 helixtrans-76.7-0.7-174.2-82-24000115.6W467N465-W467 VanDerWaalsContact C-N 3.34Å; N465-W467 PolarHBondContact O-N 3.38Å
466K48.8Very low40.1Very low174 Ų174141 Ų14176%0.75774%0.735SS**G310 helixtrans-78.3-6.1-177.7-71.1-172.168.6-173.10115.9L464L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 2.91Å
467W44.7Very low39.4Very low196 Ų196139.3 Ų139.374%0.74273%0.734SS**G310 helixtrans-12420.8-168-75.9104.3000116N465N465-W467 VanDerWaalsContact C-N 3.34Å; N465-W467 PolarHBondContact O-N 3.38Å
468K42.7Very low38.7Very low187 Ų187142.8 Ų142.881%0.81374%0.744SS**  trans-120.5132.5163.7-81.1-172.2175.3-1800111E470K468-E470 PolarHBondContact O-N 3.45Å
469P32.6Very low38Very low124 Ų124142.4 Ų142.481%0.80575%0.75SS**  trans-74.6116.2163.630.3-30.4000109.2
470E36.2Very low37.5Very low162 Ų162145.3 Ų145.376%0.75776%0.757SS**  trans-68.3139.3172.7-74.1-163.3160.600112.3K468K468-E470 PolarHBondContact O-N 3.45Å
471P35Very low37Very low129 Ų129148.2 Ų148.284%0.83876%0.763SS**  trans-78.8108.9135.232.1-24.3000108.3
472S31Very low36.4Very low94 Ų94147.9 Ų147.966%0.65777%0.772SS**  trans-77.5137.5-16948.90000114.3
473R27.2Very low35.7Very low231 Ų231150.8 Ų150.887%0.87278%0.776SS**  trans-175.1117.2162.9-103.9161.5-160.9-1373.1106.1
474S29.1Very low34.8Very low103 Ų103152.8 Ų152.872%0.7278%0.783SS**  cis49.1125.75089.20000112.3
475T29.8Very low34Very low130 Ų130151.2 Ų151.280%0.79878%0.776SS**  cis-134.6172.225.952.20000114.6
476V30.1Very low33.6Very low136 Ų136151.2 Ų151.282%0.82478%0.783SS**  trans-40.2142.2157.7168.70000112
477S27.7Very low32.7Very low103 Ų103149.3 Ų149.372%0.7278%0.781SS**  trans-76.4145.1174.552.10000112.9
478K30.9Very low32.7Very low191 Ų191147.3 Ų147.383%0.8378%0.784SS**  trans-134.2142.9141.8-122.8-175.2-179.2-175.30108.2
479N28.8Very low32.2Very low153 Ų153147.7 Ų147.782%0.81879%0.786SS**SBendtrans81160.3177-46.5-13.7000115
480K37Very low32.3Very low189 Ų189147.2 Ų147.282%0.82279%0.785SS**  trans-100.7151.1-155.6-72.4-173.9173.5-171.60114.7
481E31.9Very low32.5Very low169 Ų169148 Ų14879%0.7979%0.789SS**  26.8132.9119.2-148.5166-171.400117.5
482P34.2Very low33Very low125 Ų125146.7 Ų146.781%0.81278%0.78SS**  cis-132.2167.84540.8-26000118.8
483E28.4Very low34.1Very low151 Ų151152.3 Ų152.371%0.70679%0.793SS**  trans-91.5134178.4178177-149.100111.3N485E483-N485 PolarHBondContact OE1-ND2 3.33Å
484M30.9Very low36Very low183 Ų183144 Ų14490%0.90177%0.767SS**  trans-128.489.7164.6-77.9-172.771.700109.7P486M484-P486 WeakPolarHBondContact O-CD 3.47Å
485N34.7Very low38.2Very low117 Ų117143.1 Ų143.163%0.62676%0.758SS**  trans-72.5130168.7-74.6-54.9000111E483E483-N485 PolarHBondContact OE1-ND2 3.33Å
486P34.9Very low40.3Very low128 Ų128143.3 Ų143.383%0.83175%0.753SS**  trans-81.2103139.430.8-27.4000108.7M484M484-P486 WeakPolarHBondContact O-CD 3.47Å
487D28.7Very low42.6Very low134 Ų134143 Ų14372%0.71774%0.744SS**  trans-15.2150.6176.2-166.727.9000120.8K489D487-K489 PolarHBondContact O-N 3.17Å
488L44.8Very low44.7Very low155 Ų155143 Ų14381%0.81273%0.733SS**  trans-38126.3173-61.6162.8000114
489K32.6Very low46.9Very low195 Ų195138.3 Ų138.385%0.84872%0.717SS**  trans-135.4113.6146-119.3158.8-167.8158.70112.2D487 H491D487-K489 PolarHBondContact O-N 3.17Å; K489-H491 PolarHBondContact O-N 3.39Å
490S35.4Very low49.3Very low113 Ų113136 Ų13679%0.7970%0.704SS**PPolyproline II helixtrans-51.8123.5173.8380000110.8
491H38.6Very low51.1Low180 Ų180132.5 Ų132.583%0.83369%0.693SS**PPolyproline II helixtrans-58.3128.1169-65.9-56.5000108.9K489 K493K489-H491 PolarHBondContact O-N 3.39Å; H491-K493 PolarHBondContact O-N 2.97Å
492P47.1Very low52.5Low101 Ų101129 Ų12966%0.65668%0.677SS**PPolyproline II helixtrans-63138.7178.925.6-33.4000109.7V494P492-V494 HydrophobicContact CG-CG1 4.3Å; P492-V494 PolarHBondContact O-N 3.42Å
493K54.1Low53.8Low212 Ų212132.5 Ų132.592%0.92267%0.674SS**  trans-70.572.7170-73.4-176.6176.7177.20109.9H491 T495H491-K493 PolarHBondContact O-N 2.97Å; K493-T495 PolarHBondContact O-N 3.08Å
494V66.6Low55.3Low56 Ų56134.9 Ų134.934%0.33968%0.676SS.*  trans-62.3127171.6-72.70000109.2P492 Q498 L499P492-V494 HydrophobicContact CG-CG1 4.3Å; P492-V494 PolarHBondContact O-N 3.42Å; V494-Q498 HydrophobicContact CB-CB 4.41Å; V494-Q498 HydrophobicContact CG1-CG 4.36Å; V494-L499 HydrophobicContact CB-CG 4.49Å; V494-L499 HydrophobicContact CG2-CD1 4.08Å; V494-L499 HydrophobicContact CG2-CD2 4.36Å; V494-L499 HydrophobicContact CG2-CG 3.96Å
495T75.9Confident56.5Low84 Ų84131.6 Ų131.652%0.51566%0.662SS.*  trans-74.1159.6174.555.50000110.2K493 M497 Q498 L499K493-T495 PolarHBondContact O-N 3.08Å; T495-M497 PolarHBondContact O-N 2.91Å; T495-M497 VanDerWaalsContact O-N 3.17Å; T495-Q498 WeakPolarHBondContact O-CB 3.37Å; T495-Q498 PolarHBondContact O-N 3.06Å; T495-L499 PolarHBondContact O-N 3.48Å; T495-L499 VanDerWaalsContact O-N 3.08Å
496L74Confident57.5Low135 Ų135129 Ų12971%0.70765%0.649SS**Hα-helixtrans-53.8-37.3175.8-162.885.3000111.8Q498 L499 L500L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.9Å; L496-L499 PolarHBondContact O-N 2.74Å; L496-L500 HydrophobicContact CD2-CD1 4.31Å; L496-L500 HydrophobicContact CG-CD1 4.29Å; L496-L500 WeakPolarHBondContact O-CB 3.4Å; L496-L500 VanDerWaalsContact O-CG 3.28Å; L496-L500 WeakPolarHBondContact O-CG 3.42Å; L496-L500 PolarHBondContact O-N 2.85Å
497M77.6Confident58.4Low129 Ų129130.9 Ų130.964%0.63565%0.646SS**Hα-helixtrans-57.6-44.5174.1-167.874.377.500111.9T495 L500 L501T495-M497 PolarHBondContact O-N 2.91Å; T495-M497 VanDerWaalsContact O-N 3.17Å; M497-L500 PolarHBondContact O-N 3.42Å; M497-L501 HydrophobicContact CG-CD1 4.06Å; M497-L501 WeakPolarHBondContact O-CB 3.32Å; M497-L501 VanDerWaalsContact O-CG 3.28Å; M497-L501 WeakPolarHBondContact O-CG 3.49Å; M497-L501 PolarHBondContact O-N 2.87Å
498Q72.4Confident59.5Low104 Ų104132.9 Ų132.949%0.48665%0.653SS.*Hα-helixtrans-69.4-42.5-178.8-166.81551.700111.4V494 T495 L496 L500 L501 E502V494-Q498 HydrophobicContact CB-CB 4.41Å; V494-Q498 HydrophobicContact CG1-CG 4.36Å; T495-Q498 WeakPolarHBondContact O-CB 3.37Å; T495-Q498 PolarHBondContact O-N 3.06Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.9Å; Q498-L500 VanDerWaalsContact C-N 3.31Å; Q498-L500 PolarHBondContact O-N 2.95Å; Q498-L501 PolarHBondContact O-N 2.81Å; Q498-E502 WeakPolarHBondContact O-CB 3.38Å; Q498-E502 PolarHBondContact O-N 3.27Å
499L76.8Confident59.8Low92 Ų92127.8 Ų127.848%0.48263%0.634SS.*Hα-helixtrans-59.3-38.5171.5-81.1163000112.8V494 T495 L496 R503V494-L499 HydrophobicContact CB-CG 4.49Å; V494-L499 HydrophobicContact CG2-CD1 4.08Å; V494-L499 HydrophobicContact CG2-CD2 4.36Å; V494-L499 HydrophobicContact CG2-CG 3.96Å; T495-L499 PolarHBondContact O-N 3.48Å; T495-L499 VanDerWaalsContact O-N 3.08Å; L496-L499 PolarHBondContact O-N 2.74Å; L499-R503 VanDerWaalsContact O-CB 3.27Å; L499-R503 WeakPolarHBondContact O-CB 3.24Å; L499-R503 PolarHBondContact O-N 2.87Å
500L78.6Confident60.4Low105 Ų105124 Ų12455%0.5562%0.623SS.*Hα-helixtrans-69.6-43.2177.4-71.9167.1000112.3L496 M497 Q498 R504L496-L500 HydrophobicContact CD2-CD1 4.31Å; L496-L500 HydrophobicContact CG-CD1 4.29Å; L496-L500 WeakPolarHBondContact O-CB 3.4Å; L496-L500 VanDerWaalsContact O-CG 3.28Å; L496-L500 WeakPolarHBondContact O-CG 3.42Å; L496-L500 PolarHBondContact O-N 2.85Å; M497-L500 PolarHBondContact O-N 3.42Å; Q498-L500 VanDerWaalsContact C-N 3.31Å; Q498-L500 PolarHBondContact O-N 2.95Å; L500-R504 PolarHBondContact O-N 2.85Å
501L74.1Confident61.2Low115 Ų115128.5 Ų128.560%0.60263%0.628SS**Hα-helixtrans-65.2-42.8175.1-70.7167.2000111.7M497 Q498 R504 N505M497-L501 HydrophobicContact CG-CD1 4.06Å; M497-L501 WeakPolarHBondContact O-CB 3.32Å; M497-L501 VanDerWaalsContact O-CG 3.28Å; M497-L501 WeakPolarHBondContact O-CG 3.49Å; M497-L501 PolarHBondContact O-N 2.87Å; Q498-L501 PolarHBondContact O-N 2.81Å; L501-R504 WeakPolarHBondContact O-CB 3.36Å; L501-R504 PolarHBondContact O-N 3.2Å; L501-N505 PolarHBondContact O-N 3.04Å
502E62.3Low61.1Low94 Ų94124.3 Ų124.344%0.43962%0.619SS.*Hα-helixtrans-68-36.6179.8-174.1160.5-124.400111.9Q498 R504 N505 N506Q498-E502 WeakPolarHBondContact O-CB 3.38Å; Q498-E502 PolarHBondContact O-N 3.27Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 3.05Å; E502-N505 PolarHBondContact O-N 3Å; E502-N506 WeakPolarHBondContact CG-ND2 3.18Å; E502-N506 VanDerWaalsContact O-CB 3.29Å; E502-N506 WeakPolarHBondContact O-CB 3.17Å; E502-N506 PolarHBondContact O-N 3.34Å; E502-N506 PolarHBondContact O-ND2 3.5Å
503R61Low60.6Low200 Ų200126 Ų12676%0.75563%0.628SS**Hα-helixtrans-61.5-40.2169.8-163.6-179.4-145.5-133.16112L499 N505 N506 E507L499-R503 VanDerWaalsContact O-CB 3.27Å; L499-R503 WeakPolarHBondContact O-CB 3.24Å; L499-R503 PolarHBondContact O-N 2.87Å; R503-N505 VanDerWaalsContact C-N 3.27Å; R503-N505 PolarHBondContact O-N 2.92Å; R503-N506 PolarHBondContact O-N 3.35Å; R503-E507 PolarHBondContact O-N 3.48Å
504R59.7Low59.5Low200 Ų200119.1 Ų119.176%0.75562%0.617SS**Hα-helixtrans-69-22.3176.9-139.4-66.6-172.293.42.2113L500 L501 E502L500-R504 PolarHBondContact O-N 2.85Å; L501-R504 WeakPolarHBondContact O-CB 3.36Å; L501-R504 PolarHBondContact O-N 3.2Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 3.05Å
505N56.3Low57.8Low114 Ų114126.1 Ų126.161%0.6164%0.637SS**Hα-helixtrans-89.3-40.1175-160.729.1000111.8L501 E502 R503 E507 M508 A509L501-N505 PolarHBondContact O-N 3.04Å; E502-N505 PolarHBondContact O-N 3Å; R503-N505 VanDerWaalsContact C-N 3.27Å; R503-N505 PolarHBondContact O-N 2.92Å; N505-E507 VanDerWaalsContact C-N 3.26Å; N505-E507 PolarHBondContact O-N 3.39Å; N505-M508 PolarHBondContact O-N 2.88Å; N505-A509 PolarHBondContact O-N 3.07Å
506N56Low55.7Low63 Ų63131.3 Ų131.334%0.33766%0.656SS.*Hα-helixtrans-63.9-25.4-178.1-93.9-86000114.2E502 R503 M508 A509 N510E502-N506 WeakPolarHBondContact CG-ND2 3.18Å; E502-N506 VanDerWaalsContact O-CB 3.29Å; E502-N506 WeakPolarHBondContact O-CB 3.17Å; E502-N506 PolarHBondContact O-N 3.34Å; E502-N506 PolarHBondContact O-ND2 3.5Å; R503-N506 PolarHBondContact O-N 3.35Å; N506-M508 PolarHBondContact O-N 2.86Å; N506-A509 PolarHBondContact O-N 3.38Å; N506-N510 WeakPolarHBondContact CB-ND2 3.29Å; N506-N510 PolarHBondContact O-N 3.32Å; N506-N510 VanDerWaalsContact O-N 3.12Å; N506-N510 PolarHBondContact O-ND2 2.92Å; N506-N510 PolarHBondContact OD1-ND2 2.92Å
507E53.1Low53.7Low168 Ų168129.9 Ų129.979%0.78565%0.648SS**Hα-helixtrans-61.1-28.4176.7-168.5172.6-178.600113R503 N505R503-E507 PolarHBondContact O-N 3.48Å; N505-E507 VanDerWaalsContact C-N 3.26Å; N505-E507 PolarHBondContact O-N 3.39Å
508M52.4Low51.4Low175 Ų175129 Ų12986%0.86266%0.655SS**Hα-helixtrans-103-9.9175.4-60.4-158-60.300114.1N505 N506N505-M508 PolarHBondContact O-N 2.88Å; N506-M508 PolarHBondContact O-N 2.86Å
509A52.2Low49.9Very low48 Ų48129 Ų12940%0.39766%0.664SS.*Hα-helixtrans-93.2-27.3179.500000114N505 N506 K511N505-A509 PolarHBondContact O-N 3.07Å; N506-A509 PolarHBondContact O-N 3.38Å; A509-K511 PolarHBondContact O-N 2.78Å
510N44.6Very low47.8Very low116 Ų116132 Ų13262%0.6268%0.68SS**THydrogen-bonded Turntrans-7946.8-174.3-75.7-68.2000114.6N506N506-N510 WeakPolarHBondContact CB-ND2 3.29Å; N506-N510 PolarHBondContact O-N 3.32Å; N506-N510 VanDerWaalsContact O-N 3.12Å; N506-N510 PolarHBondContact O-ND2 2.92Å; N506-N510 PolarHBondContact OD1-ND2 2.92Å
511K51.3Low45.5Very low208 Ų208132.9 Ų132.990%0.90469%0.685SS**THydrogen-bonded Turntrans-132.329.1165.4-74.6-165.7174.6-177.80113.3A509A509-K511 PolarHBondContact O-N 2.78Å
512S37.7Very low43.6Very low92 Ų92134.4 Ų134.464%0.64369%0.692SS**SBendtrans-158.6129.6169.851.80000110
513T35.5Very low42.1Very low136 Ų136136.4 Ų136.483%0.83471%0.711SS**  cis-154.6153.8-12.5-51.10000106.9
514G32.2Very low40.8Very low67 Ų67135.2 Ų135.269%0.69172%0.716SS**  trans-67.5147.7165.300000111.6Q516G514-Q516 PolarHBondContact O-N 3.16Å
515R31.1Very low39.4Very low204 Ų204129.9 Ų129.977%0.7771%0.714SS**  trans-59.8131.4178.7-92.1-178.8168.6-94.4-3.3112.4D517R515-D517 IonicContact CZ-OD1 3.78Å; R515-D517 IonicContact CZ-OD2 3.87Å; R515-D517 IonicContact NH1-OD1 2.66Å; R515-D517 PolarHBondContact NH1-OD1 2.97Å; R515-D517 IonicContact NH1-OD2 2.7Å; R515-D517 PolarHBondContact NH1-OD2 3.26Å
516Q31.1Very low38.3Very low193 Ų193130.9 Ų130.990%0.90272%0.72SS**  -134.8160.6123-77.9-156.4-15.100108.8G514G514-Q516 PolarHBondContact O-N 3.16Å
517D31Very low37.4Very low104 Ų104136.1 Ų136.156%0.55675%0.745SS**  trans-110.8123.3-164.1-77-97.4000113.2R515R515-D517 IonicContact CZ-OD1 3.78Å; R515-D517 IonicContact CZ-OD2 3.87Å; R515-D517 IonicContact NH1-OD1 2.66Å; R515-D517 PolarHBondContact NH1-OD1 2.97Å; R515-D517 IonicContact NH1-OD2 2.7Å; R515-D517 PolarHBondContact NH1-OD2 3.26Å
518S29.6Very low36.2Very low111 Ų111133.3 Ų133.378%0.77674%0.743SS**  trans67.7171.2152.881.90000118.3
519P41.6Very low35Very low103 Ų103135.4 Ų135.467%0.66974%0.741SS**  cis-129.2172.5-17.9203.4000115.2
520L33.6Very low33.8Very low156 Ų156139.1 Ų139.182%0.81776%0.755SS**  trans76158148.1-77.3160.8000122.9
521D28.9Very low33.2Very low123 Ų123142.5 Ų142.566%0.65877%0.767SS**  trans62.3100.3162.1-63.2-7.2000124
522I34.4Very low32.2Very low148 Ų148140.5 Ų140.576%0.75976%0.761SS**  40.2115113.2-51.6159.8000117.4
523T31.1Very low31.7Very low135 Ų135146.1 Ų146.183%0.82877%0.774SS**  178.6145.9114.2-69.70000109.6
524M33.8Very low31.3Very low176 Ų176143.6 Ų143.687%0.86777%0.774SS**  trans-95.3153.4171.3-73.6-150.8-6200113
525A31Very low30.9Very low87 Ų87145.6 Ų145.672%0.71978%0.778SS**  trans98.2124.815500000120.4
526N32.7Very low30.7Very low135 Ų135141.9 Ų141.972%0.72278%0.777SS**  trans87.7114132.1-75.1-9000124.1
527M36.9Very low30.3Very low174 Ų174137.9 Ų137.986%0.85777%0.766SS**  69.1124.4121.4-54.4-68.5-176.800121.5
528S27Very low30.1Very low108 Ų108145 Ų14576%0.75579%0.786SS**  trans-157.7136.5149.8-152.30000106.4
529R27.4Very low29.8Very low219 Ų219147.2 Ų147.283%0.82678%0.784SS**  cis-142169.422.6-78.7-175.9179.1173.2-0109.2
530N27.1Very low29Very low126 Ų126151.1 Ų151.167%0.67479%0.793SS**  cis-157.6137.5-1.3-116.63.7000107.9
531Q31.4Very low28.6Very low187 Ų187147 Ų14787%0.87479%0.788SS**  trans-145.6154.9152.8-91.9-60.3-0.100109.2
532Q30.5Very low29.2Very low167 Ų167146.8 Ų146.878%0.7879%0.793SS**  trans-110.6147.5-169.2-65.3-178.4-59.200113.6
533K27.7Very low28.8Very low210 Ų210145.7 Ų145.791%0.91379%0.794SS**  trans58.2115.6160.1-66.6-179175.1-175.60118.1
534G27Very low28.5Very low82 Ų82149 Ų14985%0.84580%0.796SS**  trans-179118.7161.600000110.8
535S24.7Very low28.3Very low109 Ų109145.9 Ų145.976%0.76279%0.792SS**  trans-96.2125.9-175.755.80000110.6
536V27.2Very low28.4Very low126 Ų126146.8 Ų146.876%0.76479%0.791SS**  104.5136.389.5160.10000111.8
537T22.7Very low28.2Very low109 Ų109147.6 Ų147.667%0.66979%0.794SS**  trans64.1125.8165.5-60.20000119.4E539T537-E539 HydrophobicContact CG2-CB 3.96Å; T537-E539 HydrophobicContact CG2-CG 4.04Å
538W26.4Very low27.7Very low254 Ų254147.7 Ų147.796%0.96279%0.792SS**  trans-104.3140.3140.1-94.896.4000107.7
539E22.7Very low28Very low157 Ų157153.3 Ų153.373%0.73480%0.797SS**  trans-138157.5172.4-113.7-76.294.800108.9T537T537-E539 HydrophobicContact CG2-CB 3.96Å; T537-E539 HydrophobicContact CG2-CG 4.04Å
540E24.4Very low28.3Very low186 Ų186148.3 Ų148.387%0.86979%0.793SS**  trans-76.5157.6-170.8-165.9165-137.300113
541G26.3Very low28.6Very low69 Ų69147.6 Ų147.671%0.71180%0.804SS**  trans172.8129.5178.700000116.2
542P40.2Very low28.6Very low118 Ų118141.9 Ų141.977%0.76680%0.795SS**  trans-117.9-164.8-16942.9-33.5000115.3
543T25.8Very low29Very low126 Ų126140 Ų14077%0.77380%0.797SS**  trans77.8111.7-179.970.10000114.2
544K25.6Very low29Very low203 Ų203135.4 Ų135.488%0.88379%0.792SS**  74118.971.5-74.8-174.4176.4179.30112.9
545S30.1Very low29.1Very low112 Ų112140.7 Ų140.778%0.78380%0.795SS**  trans-69.1174.5175.955.50000112.9
546P33.6Very low29.3Very low106 Ų106139.8 Ų139.869%0.68879%0.789SS**  -146.4169.5102.541-28.2000115.4
547I26.7Very low29.4Very low151 Ų151140.4 Ų140.477%0.77479%0.792SS**  trans68.1142.3159.2-96.268.5000115.7
548E28Very low30Very low176 Ų176146.1 Ų146.182%0.82280%0.803SS**  cis-130.7135.54.1-142162.1178.800113.2
549R33.3Very low30.2Very low227 Ų227139.4 Ų139.486%0.85780%0.795SS**  trans-123.7165.5155.5-127.9-164.7-81.3133.8-9.7104.2
550P33.8Very low31.2Very low114 Ų114140.1 Ų140.174%0.7480%0.803SS**  cis-140.7137.8-4.736-16000115.4
551A33.4Very low31.5Very low111 Ų111136.4 Ų136.492%0.91780%0.798SS**  trans-153.3147.6158.600000110.3
552G30.9Very low32.3Very low67 Ų67143.4 Ų143.469%0.69180%0.803SS**  cis171136.9-2.900000108.1
553P37.7Very low32.2Very low126 Ų126144.4 Ų144.482%0.81880%0.801SS**  trans-87.6175.2-157.834.6-37.8000115.5
554S29Very low32.6Very low115 Ų115145.8 Ų145.880%0.80481%0.81SS**  trans83.299.6163.672.40000119.3
555Q28.2Very low33Very low192 Ų192139.5 Ų139.590%0.89780%0.803SS**  trans-154.7147.3145.1-80.5-153.210.700108.5
556S28.7Very low33.1Very low91 Ų91139.2 Ų139.264%0.63681%0.807SS**  cis-163.6156-22.6-161.40000111.2
557V29.7Very low32.9Very low139 Ų139138.5 Ų138.584%0.84281%0.81SS**  trans53.8159.6163.3-77.40000122.2
558Y35Very low32.9Very low228 Ų228140 Ų14089%0.89481%0.814SS**  trans-86.5167.3179-89.3-122.2000113.2
559S32.1Very low32.7Very low113 Ų113136.9 Ų136.979%0.7981%0.812SS**  trans92.8101.5153.5-55.70000121
560L41.9Very low33.6Very low172 Ų172131 Ų13190%0.90180%0.802SS**  trans60.7107.2131.5-170.271.4000121.5
561S32.2Very low33.3Very low109 Ų109135.8 Ų135.876%0.76281%0.807SS**  169.5135.2126.1-168.10000116.5
562R41.6Very low32.9Very low216 Ų216135 Ų13582%0.81580%0.796SS**  trans53130.4154.8-80.7-170.6174.5153.83.3127.6
563D39.2Very low32.6Very low138 Ų138142.4 Ų142.474%0.73880%0.804SS**  trans72.1122.4141.1-50-17.7000124
564T35.1Very low33.4Very low156 Ų156141.6 Ų141.696%0.95780%0.799SS**  trans-156.7174176.160.10000111.3
565G32.1Very low33.3Very low71 Ų71141.2 Ų141.273%0.73280%0.796SS**  cis166.6165-8.700000115.6
566A32.1Very low34.6Very low105 Ų105134.7 Ų134.787%0.86877%0.77SS**  trans68.8117154.700000126.5
567A30.1Very low34.9Very low92 Ų92134.8 Ų134.876%0.7676%0.761SS**  75.4107.9124.700000128.1
568Q26.5Very low35.1Very low183 Ų183133.4 Ų133.486%0.85575%0.752SS**  66.3119.2121.5-60.5-163.255.500128.1
569S24Very low35.3Very low110 Ų110131.1 Ų131.177%0.76975%0.75SS**  88.5162.2127.3-92.10000125.2
570P52.2Low35.3Very low102 Ų102130.5 Ų130.566%0.66275%0.745SS**  -137.8-162.9-126.939.1-15.3000120.6
571Y27Very low34.8Very low215 Ų215127.6 Ų127.684%0.84374%0.74SS**  trans100161.7175-75.5-112.3000117.8
572S25.3Very low35.4Very low96 Ų96127.5 Ų127.567%0.67174%0.737SS**  cis177.3159.2-32.4-86.50000111.4
573Y25.8Very low35.2Very low221 Ų221125.2 Ų125.287%0.86774%0.74SS**  cis-152.9-62.4-22.5-152.8-110.2000118.6
574P52.9Low35Very low110 Ų110125.6 Ų125.671%0.71474%0.741SS**  trans-122.8-160.6-151.144.3-28.7000116.8
575S27Very low35.3Very low107 Ų107126.4 Ų126.475%0.74874%0.739SS**  cis-141.2-102.90.6-159.20000118.4
576P56.2Low35.1Very low54 Ų54128.9 Ų128.935%0.35174%0.744SS.*  trans-139.7-170.5-131.241.3-17.7000121.9L845 C846P576-L845 CarbonylContact O-C 3.37Å; P576-L845 VanDerWaalsContact O-CB 3.26Å; P576-L845 WeakPolarHBondContact O-CB 3.29Å; P576-C846 WeakPolarHBondContact CD-O 3.31Å; P576-C846 VanDerWaalsContact CG-O 3.27Å; P576-C846 WeakPolarHBondContact CG-O 3.27Å; P576-C846 PolarHBondContact O-N 3.12Å
577H36.1Very low35.4Very low94 Ų94134.2 Ų134.244%0.43575%0.747SS.*  trans76.4104.4149.1-154.7105.7000127.1L845 C846 S847H577-L845 VanDerWaalsContact O-CD2 3.25Å; H577-L845 WeakPolarHBondContact O-CD2 3.23Å; H577-C846 HydrophobicContact CB-CB 3.85Å; H577-S847 VanDerWaalsContact CB-OG 3.29Å; H577-S847 WeakPolarHBondContact CB-OG 3.3Å; H577-S847 PolarHBondContact CD2-OG 3.2Å
578V33.8Very low35.6Very low110 Ų110135.5 Ų135.567%0.66775%0.751SS**  trans51.3124.3138.2-168.30000126.4
579Q37.3Very low36.2Very low179 Ų179136.1 Ų136.184%0.83675%0.751SS**  trans-177.8166.8143.1-98-14317.400110.1
580S32.8Very low36.6Very low100 Ų100136.6 Ų136.670%0.69975%0.749SS**  cis-168-167.7-17.951.70000111
581S30.9Very low35.6Very low112 Ų112141 Ų14178%0.78376%0.758SS**  trans-147.5-171.4-178.471.40000111.7
582P44.7Very low36.6Very low107 Ų107136.1 Ų136.170%0.69575%0.753SS**  cis-136.7-172.9-6.941.8-23.2000115.2
583L39.1Very low36.9Very low168 Ų168136 Ų13688%0.8876%0.758SS**  168.3162.7129.7-93.4171.1000116.1
584D34.6Very low37.1Very low145 Ų145131.2 Ų131.278%0.77575%0.747SS**  trans-77.8159.1-172.7-87.6-60.8000117.7
585L40.9Very low36.5Very low173 Ų173133.7 Ų133.791%0.90675%0.747SS**  trans-138.5102.9168-72.2177.7000113.1
586C28.9Very low36.7Very low123 Ų123133.3 Ų133.383%0.83175%0.75SS**  trans-12890.1173.2-84.20000112.2
587K37.6Very low35.9Very low217 Ų217136.2 Ų136.294%0.94377%0.772SS**  trans-141.5141.6162.9-72.1-169.6178.31770110.1
588S34.6Very low35.8Very low119 Ų119140.5 Ų140.583%0.83279%0.792SS**  trans-109.7146.4-164.248.30000114.2
589K38.4Very low36.4Very low197 Ų197141.3 Ų141.386%0.85780%0.799SS**  trans-159.4144.9151.4-145.2168.2-175.3177.90110.4
590T31.8Very low36.6Very low119 Ų119137.1 Ų137.173%0.7380%0.795SS**  trans-131.2135.4-171.4-51.50000110.8
591F32.1Very low37.3Very low195 Ų195141.4 Ų141.486%0.85580%0.802SS**  trans-154.6165.5157.7-84-55.4000109.1
592P48.1Very low38.2Very low113 Ų113139.2 Ų139.273%0.73479%0.786SS**  trans-115.3172.1-138.341.9-36.1000117.5
593A31.3Very low38.9Very low94 Ų94137.1 Ų137.178%0.77778%0.778SS**  trans74.8149.3166.200000115.9
594D30.6Very low39.6Very low119 Ų119132.9 Ų132.964%0.63676%0.762SS**  cis-154.21631-149.4-16.4000113
595K39Very low41.2Very low163 Ų163132.7 Ų132.771%0.70976%0.755SS**  trans55.4119165-45.3-57.8178.3-120.60120.9
596A32.8Very low42.8Very low99 Ų99129.1 Ų129.182%0.81874%0.736SS**  trans61.3148145.200000121
597S38.9Very low44.9Very low115 Ų115129 Ų12980%0.80473%0.726SS**  cis-168.8115.1-21.451.10000111.3
598E34Very low46.5Very low183 Ų183124.4 Ų124.486%0.85571%0.708SS**  trans-154138.5165.4-164171.4-162.300110.9A600E598-A600 PolarHBondContact O-N 3.43Å
599P45.9Very low47.9Very low128 Ų128123 Ų12383%0.83169%0.692SS**  trans-83.675.5-173.733.9-36.3000113.1F601P599-F601 PolarHBondContact O-N 3.07Å
600A42Very low49.4Very low91 Ų91119.4 Ų119.475%0.75268%0.681SS**  trans-58.4134.2172.100000112.1E598 S602E598-A600 PolarHBondContact O-N 3.43Å; A600-S602 PolarHBondContact O-N 3.06Å
601F46.6Very low50.7Low190 Ų190117.9 Ų117.983%0.83368%0.681SS**  trans-72.985.5-171.7-163.1-89000112.3P599 A603P599-F601 PolarHBondContact O-N 3.07Å; F601-A603 PolarHBondContact O-N 2.91Å
602S50.6Low51.7Low65 Ų65115.4 Ų115.446%0.45567%0.672SS.*  trans-79103.1-175.4-171.50000112.4A600 S604 K605A600-S602 PolarHBondContact O-N 3.06Å; S602-S604 PolarHBondContact O-N 3.32Å; S602-S604 PolarHBondContact OG-OG 3.49Å; S602-K605 WeakPolarHBondContact O-CB 3.36Å; S602-K605 PolarHBondContact O-N 2.76Å
603A58.5Low51.4Low64 Ų64115.8 Ų115.853%0.52968%0.675SS.*Hα-helixtrans-58.2-29.4-179.600000113.8F601 K605 L606 L607F601-A603 PolarHBondContact O-N 2.91Å; A603-K605 VanDerWaalsContact C-N 3.27Å; A603-K605 PolarHBondContact O-N 3.08Å; A603-L606 WeakPolarHBondContact O-CB 3.34Å; A603-L606 PolarHBondContact O-N 3.32Å; A603-L607 PolarHBondContact O-N 2.93Å
604S54.2Low52.1Low78 Ų78113.8 Ų113.855%0.54566%0.664SS.*Hα-helixtrans-63.6-31.6173.248.30000112.5S602 L607 Q608S602-S604 PolarHBondContact O-N 3.32Å; S602-S604 PolarHBondContact OG-OG 3.49Å; S604-L607 PolarHBondContact O-N 3.45Å; S604-Q608 VanDerWaalsContact O-CB 3.25Å; S604-Q608 WeakPolarHBondContact O-CB 3.22Å; S604-Q608 PolarHBondContact O-N 3.02Å
605K67.9Low52.6Low142 Ų142115.3 Ų115.362%0.61768%0.678SS**Hα-helixtrans-72.5-28.6176.4-157.5173.2-174.6179.80112.4S602 A603 N609S602-K605 WeakPolarHBondContact O-CB 3.36Å; S602-K605 PolarHBondContact O-N 2.76Å; A603-K605 VanDerWaalsContact C-N 3.27Å; A603-K605 PolarHBondContact O-N 3.08Å; K605-N609 PolarHBondContact O-N 3.09Å; K605-N609 VanDerWaalsContact O-N 3.15Å; K605-N609 PolarHBondContact O-ND2 3.48Å
606L75.4Confident52.6Low98 Ų98113.9 Ų113.951%0.51368%0.683SS.*Hα-helixtrans-68.5-49.2171.6-179.464.8000111A603 Q608 N609 L610A603-L606 WeakPolarHBondContact O-CB 3.34Å; A603-L606 PolarHBondContact O-N 3.32Å; L606-Q608 VanDerWaalsContact C-N 3.29Å; L606-Q608 PolarHBondContact O-N 3.32Å; L606-N609 PolarHBondContact O-N 3.32Å; L606-L610 HydrophobicContact CG-CD1 4.25Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.45Å
607L72.3Confident52.6Low119 Ų119114.5 Ų114.562%0.62368%0.681SS**Hα-helixtrans-61.5-37.3176.7-68.3171.1000112.2A603 S604 L610 A611A603-L607 PolarHBondContact O-N 2.93Å; S604-L607 PolarHBondContact O-N 3.45Å; L607-L610 PolarHBondContact O-N 3.17Å; L607-A611 WeakPolarHBondContact O-CB 3.27Å; L607-A611 PolarHBondContact O-N 3.15Å
608Q70.8Confident52.6Low121 Ų121114.1 Ų114.157%0.56568%0.676SS**Hα-helixtrans-70.4-31177.9-163.916742.100113.1S604 L606 Q612S604-Q608 VanDerWaalsContact O-CB 3.25Å; S604-Q608 WeakPolarHBondContact O-CB 3.22Å; S604-Q608 PolarHBondContact O-N 3.02Å; L606-Q608 VanDerWaalsContact C-N 3.29Å; L606-Q608 PolarHBondContact O-N 3.32Å; Q608-Q612 WeakPolarHBondContact O-CG 3.25Å
609N64.6Low53.2Low91 Ų91111.4 Ų111.449%0.48767%0.674SS.*Hα-helixtrans-71.1-43.5169.5-85.1-91.2000111.6K605 L606 A611 Q612 C613K605-N609 PolarHBondContact O-N 3.09Å; K605-N609 VanDerWaalsContact O-N 3.15Å; K605-N609 PolarHBondContact O-ND2 3.48Å; L606-N609 PolarHBondContact O-N 3.32Å; N609-A611 PolarHBondContact O-N 3.36Å; N609-Q612 PolarHBondContact O-N 2.9Å; N609-C613 PolarHBondContact O-N 3.31Å
610L70Confident52.9Low121 Ų121111 Ų11163%0.63467%0.671SS**Hα-helixtrans-59.9-32.2177.1-72.6167.2000112.4L606 L607 Q612L606-L610 HydrophobicContact CG-CD1 4.25Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.45Å; L607-L610 PolarHBondContact O-N 3.17Å; L610-Q612 VanDerWaalsContact C-N 3.3Å; L610-Q612 PolarHBondContact O-N 3.46Å
611A60.1Low52.8Low87 Ų87112.7 Ų112.772%0.71968%0.675SS**THydrogen-bonded Turntrans-77.9-5.9174.400000114.8L607 N609L607-A611 WeakPolarHBondContact O-CB 3.27Å; L607-A611 PolarHBondContact O-N 3.15Å; N609-A611 PolarHBondContact O-N 3.36Å
612Q52.9Low52.2Low143 Ų143111.5 Ų111.567%0.66868%0.676SS**THydrogen-bonded Turntrans-112-7.7-177.6-74.6-178.1-16.600114.3Q608 N609 L610 G614Q608-Q612 WeakPolarHBondContact O-CG 3.25Å; N609-Q612 PolarHBondContact O-N 2.9Å; L610-Q612 VanDerWaalsContact C-N 3.3Å; L610-Q612 PolarHBondContact O-N 3.46Å; Q612-G614 PolarHBondContact O-N 3.36Å
613C41.3Very low51.2Low120 Ų120113.8 Ų113.881%0.81169%0.692SS**  trans-78.265.7172.3-71.40000112.6N609N609-C613 PolarHBondContact O-N 3.31Å
614G46.7Very low49.8Very low52 Ų52116.5 Ų116.554%0.53671%0.707SS.*  trans-152.7124.7177.800000113.6Q612Q612-G614 PolarHBondContact O-N 3.36Å
615T40.5Very low48.5Very low151 Ų151116.1 Ų116.193%0.92672%0.715SS**  trans69172.6-178.773.50000116
616T38.2Very low46.7Very low133 Ų133120 Ų12082%0.81673%0.732SS**  trans-136.3156.1-14946.90000115.3
617S32.8Very low44.4Very low113 Ų113118.5 Ų118.579%0.7974%0.741SS**  trans74.4166.5167.5-146.60000116.3
618P39.3Very low42.4Very low106 Ų106117.8 Ų117.869%0.68875%0.752SS**  -120.4176.1-50.230.4-14.3000112.6
619P47.4Very low40.3Very low126 Ų126117.1 Ų117.182%0.81876%0.761SS**  trans-93.7138.1-177.434.8-33.9000115.8
620P39.6Very low38.5Very low119 Ų119120.5 Ų120.577%0.77377%0.773SS**  trans-106.1171162.936.4-27.6000113.4
621P38.8Very low36.5Very low128 Ų128122.2 Ų122.283%0.83178%0.778SS**  trans-100.5-179.5-154.139.4-38.4000117.4
622I33.7Very low35.1Very low165 Ų165124.6 Ų124.685%0.84678%0.778SS**  trans-81.6176.7178.4-2.1174.9000113.3
623S29.7Very low33.8Very low113 Ų113124.4 Ų124.479%0.7978%0.782SS**  trans88.2149.2175.2870000115.5
624S29.8Very low33.3Very low120 Ų120124.9 Ų124.984%0.83978%0.776SS**  cis-167.6165.7-17.648.30000112
625G27Very low32.3Very low71 Ų71127.2 Ų127.273%0.73278%0.784SS**  trans146.9148.7157.100000115.6
626K30.6Very low31.8Very low223 Ų223130.8 Ų130.897%0.9778%0.781SS**  cis-164.9150.6-15.3-150.1174.1-176.6178.70110.8
627G27.2Very low32Very low67 Ų67129.6 Ų129.669%0.69178%0.775SS**  trans121.9116.8-179.400000110.6
628A29.4Very low31.9Very low104 Ų104132.8 Ų132.886%0.8678%0.778SS**  cis72.3129.531.800000113.2
629S25.8Very low31.6Very low107 Ų107131.8 Ų131.875%0.74878%0.778SS**  cis-153.2175.410.6-163.90000112.8
630Q27.7Very low31.1Very low161 Ų161132.8 Ų132.875%0.75278%0.775SS**  trans70.4147167.2-108155.1-60.500117.3
631E27.1Very low31Very low157 Ų157134.1 Ų134.173%0.73478%0.776SS**  cis-139.51747.9-163.9145-114.300113.7
632L32.1Very low30.6Very low138 Ų138136.3 Ų136.372%0.72378%0.775SS**  trans-77.6145.4-167-62.6145000114.8
633N26.2Very low30.6Very low139 Ų139139.5 Ų139.574%0.74378%0.776SS**  176.9172.496.5-92.5-49.1000114.4
634D29.2Very low30.6Very low129 Ų129141.6 Ų141.669%0.6978%0.778SS**  trans-24.8139.4179.9-67.9-71.5000119.6
635S25.8Very low30.5Very low101 Ų101142.4 Ų142.471%0.70677%0.773SS**  cis77.6100.946.7107.80000114.9
636R31.1Very low30.7Very low226 Ų226143.7 Ų143.785%0.85377%0.766SS**  172.4141.4106.6-163.4166-169.3-174.72.5111.8
637P41.9Very low30.6Very low109 Ų109139.4 Ų139.471%0.70876%0.761SS**  trans-104.7155-178.738.7-33.9000114.3
638H31.4Very low30.7Very low180 Ų180141 Ų14183%0.83376%0.757SS**  trans-168.5144.6154.3-85.9-65.9000107.6
639A32.7Very low30.7Very low84 Ų84142.5 Ų142.569%0.69475%0.751SS**  cis-140.5-128.7-12.100000107.7
640L35.5Very low30.8Very low147 Ų147148.1 Ų148.177%0.7776%0.756SS**  cis-162.5145.5-7.6-137.2174.6000106.8
641L37.9Very low30.8Very low148 Ų148147.5 Ų147.578%0.77576%0.763SS**  trans64.8147178.6-48.3178.8000115.5
642E30.9Very low31Very low174 Ų174146.4 Ų146.481%0.81377%0.767SS**  cis-142162.6-12-147.4172.2144.900109.4
643R32.9Very low31.3Very low231 Ų231145.5 Ų145.587%0.87277%0.77SS**  trans-144.9160.6178.3-118.3-179.2179.5142-1.6109.3
644L29.9Very low31.4Very low158 Ų158145 Ų14583%0.82777%0.772SS**  trans86.2148.9-164.5-53.2161.4000111.2
645N27.8Very low31.8Very low137 Ų137143.8 Ų143.873%0.73377%0.771SS**  cis-139175.39-132.6-25.6000113.6
646T32Very low32Very low98 Ų98146.5 Ų146.560%0.60178%0.777SS**  trans-78.8-175.5169.560.70000111.6V648T646-V648 HydrophobicContact CG2-CG2 4.05Å
647P27.6Very low32.1Very low132 Ų132140 Ų14086%0.85777%0.766SS**  -125.3136.198.935.5-32.3000113.2
648V28.8Very low31.5Very low101 Ų101142 Ų14261%0.61277%0.771SS**  trans-137.8119.5179.9165.70000110.7T646T646-V648 HydrophobicContact CG2-CG2 4.05Å
649N29.6Very low31.5Very low136 Ų136136.5 Ų136.573%0.72776%0.763SS**  trans72.4141155.2-73.3-27.3000122.9
650R28.4Very low31.4Very low225 Ų225137.7 Ų137.785%0.84977%0.773SS**  trans69109.2141.6-75.4171.7172.2163.6-3.4120.8
651T27.9Very low31.3Very low147 Ų147136.9 Ų136.990%0.90278%0.78SS**  -146.6124.9120.635.40000111.2
652T31.4Very low31Very low134 Ų134133.5 Ų133.582%0.82278%0.781SS**  trans-77.7157.9148.910.60000108.2
653P38.9Very low30.9Very low119 Ų119130.8 Ų130.877%0.77378%0.781SS**  cis-144.2-170.647.240.1-18.8000117.1
654T26.9Very low30.7Very low128 Ų128124.8 Ų124.879%0.78577%0.774SS**  trans-54.717416222.10000114
655P39.3Very low30.7Very low105 Ų105123.4 Ų123.468%0.68277%0.773SS**  cis-145.2-179.42444.4-25.1000119.1
656L29Very low31.4Very low157 Ų157121.5 Ų121.582%0.82277%0.768SS**  trans65.2151.3158.3-67.1154.6000118.5
657S33.1Very low31.2Very low90 Ų90126.4 Ų126.463%0.62978%0.781SS**  cis-143.2157.73.8-127.10000113.3
658D30.5Very low31.2Very low150 Ų150125.1 Ų125.180%0.80278%0.775SS**  trans16.8142.3156.8-53.4-77.4000123.3
659G31.2Very low31.2Very low66 Ų66131.9 Ų131.968%0.6879%0.79SS**  cis169.7170.5-3.700000115.6
660A30.8Very low31.3Very low108 Ų108134.5 Ų134.589%0.89379%0.794SS**  trans52.5143.7163.300000121
661S32Very low31.4Very low131 Ų131132.2 Ų132.292%0.91679%0.793SS**  cis-167.3144-22.6-172.40000108.3
662G32.8Very low31.9Very low77 Ų77130.7 Ų130.779%0.79479%0.786SS**  trans174.7100.2179.900000117.1
663S28.3Very low31.8Very low117 Ų117129.6 Ų129.682%0.81878%0.784SS**  trans-60.8155.4170.3-154.40000112.7
664S28.7Very low32Very low105 Ų105129.6 Ų129.673%0.73478%0.784SS**  cis-159.3178.32.66.20000112.2
665T30.3Very low32.9Very low129 Ų129129.3 Ų129.379%0.79178%0.784SS**  trans-72-175178.252.90000115.4
666P41.7Very low32.8Very low97 Ų97129.5 Ų129.563%0.6379%0.788SS**  cis-131.8163.5-25.121.40.8000115
667F27.8Very low33.8Very low200 Ų200127.7 Ų127.788%0.87779%0.789SS**  172.3147.7112-106.6-81.1000115.4
668S27.4Very low34.6Very low105 Ų105131.7 Ų131.773%0.73480%0.797SS**  trans-20.9131.3173.5-170.60000121.4
669R30Very low35.5Very low244 Ų244130.5 Ų130.592%0.92179%0.79SS**  -161.2162.9110.2-136.4175.6-176.3164.72.9112.9
670K30.8Very low36.7Very low190 Ų190134.9 Ų134.983%0.82679%0.793SS**  trans-139.9166.3172.6-160.4-176.7178.8-1720109.7
671E31.7Very low37.8Very low177 Ų177133.7 Ų133.783%0.82777%0.771SS**  trans83.4153.8167.9-67.8-146.385.900119
672P38.2Very low38.9Very low115 Ų115132.5 Ų132.575%0.74775%0.754SS**  trans-113.7171.9-145.241.2-31.8000115.6
673S28.7Very low39.7Very low112 Ų112133.9 Ų133.978%0.78374%0.743SS**  trans-110.4130-170.156.10000115.3
674P43.6Very low41.1Very low118 Ų118133.4 Ų133.477%0.76673%0.727SS**PPolyproline II helixtrans-80.3170.9155.934.1-32000111.7
675P44.5Very low42.5Very low123 Ų123135.5 Ų135.580%0.79972%0.719SS**PPolyproline II helixtrans-86.9163.2-152.833.1-37.1000117.1
676S38.3Very low43.8Very low108 Ų108138.4 Ų138.476%0.75572%0.715SS**PPolyproline II helixtrans-87.5128.3-178.654.20000113.9
677S48.7Very low44.7Very low120 Ų120137.3 Ų137.384%0.83971%0.707SS**  trans-148.532.3175.3-50.80000114.5
678Q49.7Very low46Very low174 Ų174132.3 Ų132.381%0.81369%0.693SS**SBendtrans-133.6-9-175.4-156.8172.57.100115.5
679I50.8Low47.1Very low125 Ų125132.8 Ų132.864%0.64169%0.687SS**SBendtrans-87.5-38.6-176.3-66.7173.1000112N681 L682 L683I679-N681 PolarHBondContact O-N 3.36Å; I679-L682 WeakPolarHBondContact O-CB 3.41Å; I679-L682 PolarHBondContact O-N 2.73Å; I679-L683 HydrophobicContact CG2-CD1 4.49Å; I679-L683 PolarHBondContact O-N 3.07Å
680E55.6Low48.5Very low158 Ų158128.3 Ų128.374%0.73868%0.676SS**Hα-helixtrans-59.4-48.6-175.1-168.8161.3-146.100112.2L682 L683 E684E680-L682 PolarHBondContact O-N 2.87Å; E680-L683 WeakPolarHBondContact O-CB 3.49Å; E680-L683 PolarHBondContact O-N 3.41Å; E680-E684 PolarHBondContact O-N 2.85Å
681N54.7Low49.7Very low83 Ų83126 Ų12644%0.44467%0.672SS.*Hα-helixtrans-70.7-1.2177.9-168.7-107.2000114.5I679 E684 R685I679-N681 PolarHBondContact O-N 3.36Å; N681-E684 WeakPolarHBondContact CA-OE2 3.34Å; N681-E684 PolarHBondContact ND2-OE2 2.88Å; N681-R685 PolarHBondContact O-NE 2.84Å; N681-R685 PolarHBondContact O-NH2 2.91Å; N681-R685 PolarHBondContact OD1-NH2 2.85Å
682L53.9Low50.8Low106 Ų106124.3 Ų124.356%0.55567%0.668SS**Hα-helixtrans-94.1-26.8168.3-14876.5000112I679 E680 R686I679-L682 WeakPolarHBondContact O-CB 3.41Å; I679-L682 PolarHBondContact O-N 2.73Å; E680-L682 PolarHBondContact O-N 2.87Å; L682-R686 PolarHBondContact O-N 3.46Å
683L50.2Low51.6Low106 Ų106125 Ų12556%0.55566%0.664SS**Hα-helixtrans-75.1-42175.5-65.5172.1000111.1I679 E680 R685 R686 T687I679-L683 HydrophobicContact CG2-CD1 4.49Å; I679-L683 PolarHBondContact O-N 3.07Å; E680-L683 WeakPolarHBondContact O-CB 3.49Å; E680-L683 PolarHBondContact O-N 3.41Å; L683-R685 PolarHBondContact O-N 2.93Å; L683-R686 PolarHBondContact O-N 3.35Å; L683-T687 PolarHBondContact O-N 2.84Å; L683-T687 PolarHBondContact O-OG1 2.91Å
684E58.3Low52Low106 Ų106123 Ų12350%0.49566%0.662SS.*Hα-helixtrans-54.2-40.2172.2-64.4-178.7116.600112.4E680 N681 T687 V688E680-E684 PolarHBondContact O-N 2.85Å; N681-E684 WeakPolarHBondContact CA-OE2 3.34Å; N681-E684 PolarHBondContact ND2-OE2 2.88Å; E684-T687 PolarHBondContact O-OG1 3.5Å; E684-V688 WeakPolarHBondContact O-CG2 3.38Å; E684-V688 PolarHBondContact O-N 3.3Å
685R58.3Low52.1Low149 Ų149124 Ų12456%0.56267%0.666SS**Hα-helixtrans-77.6-18.8179.8-76.6-178-78.9177.5-6.7113.7N681 L683N681-R685 PolarHBondContact O-NE 2.84Å; N681-R685 PolarHBondContact O-NH2 2.91Å; N681-R685 PolarHBondContact OD1-NH2 2.85Å; L683-R685 PolarHBondContact O-N 2.93Å
686R56.8Low51.6Low190 Ų190121.8 Ų121.872%0.71767%0.666SS**Hα-helixtrans-82.6-37.4173.2-127.3172.5-175.4150.91.1111.7L682 L683 Q690L682-R686 PolarHBondContact O-N 3.46Å; L683-R686 PolarHBondContact O-N 3.35Å; R686-Q690 PolarHBondContact O-N 2.82Å
687T60Low51.4Low74 Ų74121.8 Ų121.845%0.45467%0.666SS.*Hα-helixtrans-71.6-36.3178.4500000113.1L683 E684 L689 Q690 L691L683-T687 PolarHBondContact O-N 2.84Å; L683-T687 PolarHBondContact O-OG1 2.91Å; E684-T687 PolarHBondContact O-OG1 3.5Å; T687-L689 VanDerWaalsContact C-N 3.34Å; T687-L689 PolarHBondContact O-N 3.41Å; T687-Q690 PolarHBondContact O-N 2.86Å; T687-Q690 VanDerWaalsContact O-N 3.08Å; T687-L691 WeakPolarHBondContact O-CG 3.28Å; T687-L691 PolarHBondContact O-N 3.47Å
688V55.8Low50.8Low95 Ų95122.1 Ų122.158%0.57666%0.663SS**Hα-helixtrans-59.1-40.2177.6167.10000112.9E684 L692E684-V688 WeakPolarHBondContact O-CG2 3.38Å; E684-V688 PolarHBondContact O-N 3.3Å; V688-L692 PolarHBondContact O-N 3.11Å
689L50.8Low50.2Low116 Ų116117.9 Ų117.961%0.60767%0.666SS**Hα-helixtrans-71.4-31.2175.6-71.7173.2000112.5T687 L692 L693T687-L689 VanDerWaalsContact C-N 3.34Å; T687-L689 PolarHBondContact O-N 3.41Å; L689-L692 PolarHBondContact O-N 2.63Å; L689-L693 PolarHBondContact O-N 3.48Å
690Q58.4Low49.3Very low150 Ų150116.9 Ų116.970%0.70168%0.676SS**Hα-helixtrans-76.5-26.1178.5-152.7161.913.700112.5R686 T687R686-Q690 PolarHBondContact O-N 2.82Å; T687-Q690 PolarHBondContact O-N 2.86Å; T687-Q690 VanDerWaalsContact O-N 3.08Å
691L57.5Low48.4Very low141 Ų141116 Ų11674%0.73868%0.682SS**Hα-helixtrans-71.8-27.9168.4-77.3162.2000113T687T687-L691 WeakPolarHBondContact O-CG 3.28Å; T687-L691 PolarHBondContact O-N 3.47Å
692L54.7Low47.5Very low141 Ų141117.1 Ų117.174%0.73870%0.703SS**Hα-helixtrans-81.2-22.3-179.3-157.570.4000113V688 L689V688-L692 PolarHBondContact O-N 3.11Å; L689-L692 PolarHBondContact O-N 2.63Å
693L54.3Low46.3Very low129 Ų129116 Ų11668%0.67572%0.717SS**SBendtrans-108.859176.4-80.971.7000110.3L689 T695L689-L693 PolarHBondContact O-N 3.48Å; L693-T695 PolarHBondContact O-N 3.2Å
694G37.2Very low45.6Very low71 Ų71122.3 Ų122.373%0.73273%0.733SS**  trans-60.4107.7-172.300000114.6
695T44.9Very low44.6Very low138 Ų138124.7 Ų124.785%0.84774%0.742SS**  trans-112.9141.1162.155.20000109.3L693L693-T695 PolarHBondContact O-N 3.2Å
696G35.8Very low43.1Very low78 Ų78125.2 Ų125.280%0.80475%0.751SS**  trans-98.2-159.9-168.400000115.4
697S33.9Very low42.6Very low107 Ų107127.4 Ų127.475%0.74876%0.759SS**  trans90.6120171.4-147.10000118
698T36.3Very low41.9Very low128 Ų128129 Ų12979%0.78577%0.77SS**  trans38.1105.3139.459.20000119.3
699G36.6Very low40.4Very low84 Ų84130.2 Ų130.287%0.86678%0.783SS**  trans-88.5-178.5166.800000114.3
700A32.5Very low39.4Very low104 Ų104128.1 Ų128.186%0.8679%0.79SS**  trans-140.6143.8172.100000112.6
701T34.8Very low37.8Very low139 Ų139127.3 Ų127.385%0.85380%0.801SS**  trans-44149-179.2480000118.1
702A36.8Very low36.5Very low107 Ų107123.7 Ų123.788%0.88480%0.797SS**  trans-72.3151.115800000111.9
703G28.7Very low35.3Very low83 Ų83126.2 Ų126.286%0.85681%0.805SS**  trans-155.5149.1174.800000111
704R34.7Very low34.2Very low239 Ų239122.9 Ų122.990%0.90280%0.802SS**  trans-130.1132.7-166.7-153.6-176.4-159.3-101.36.1112.2
705K37.4Very low33.8Very low156 Ų156126.3 Ų126.368%0.67881%0.809SS**  trans62.3100.9154.3-175.5-121.3-178.3-153.50118
706E27.7Very low33Very low159 Ų159123.2 Ų123.274%0.74380%0.797SS**  -164.6178.4118-116.6159.1-148.100115.4
707R46.4Very low32.7Very low237 Ų237127.5 Ų127.589%0.89480%0.796SS**  trans-160.5165.9-173.9-98.5-173.2-179.6172.4-0.2106.8
708P44Very low32.6Very low106 Ų106128.3 Ų128.369%0.68879%0.79SS**  cis-138.5-170.59.842.3-23.8000116.1
709S26.2Very low32.3Very low121 Ų121131 Ų13185%0.84679%0.793SS**  trans78.9151146.2-64.10000122.7
710G28.9Very low31.8Very low73 Ų73130.6 Ų130.675%0.75379%0.79SS**  trans95.2101.2175.500000113.3
711S25.1Very low31.6Very low132 Ų132129.1 Ų129.192%0.92379%0.785SS**  cis83.9122.927.9-1570000115.2
712G29.5Very low31.2Very low65 Ų65127.5 Ų127.567%0.6778%0.778SS**  trans125.697.5-170.100000109.9
713H29.9Very low30.9Very low195 Ų195131.7 Ų131.790%0.90378%0.776SS**  44.9119.768.2-80.7-96.4000113.4
714G31.4Very low31Very low59 Ų59134.3 Ų134.361%0.60877%0.766SS**  cis157177.2-6.500000112
715T28.4Very low31.1Very low143 Ų143132.7 Ų132.788%0.87776%0.76SS**  trans58.3157.8161.6500000119
716A28.8Very low31.5Very low72 Ų72131.1 Ų131.160%0.59577%0.769SS**  cis-177.3-179.8-30.700000106.6
717E29.5Very low31.8Very low168 Ų168128.9 Ų128.979%0.78577%0.768SS**  trans69.3154.6158.4-54.2-85.4101.600115.2
718M31.6Very low31.1Very low125 Ų125124 Ų12462%0.61676%0.764SS**  cis-167.2157.1-13.5166.970.692.100108.8
719E28.4Very low30.6Very low183 Ų183122.9 Ų122.986%0.85576%0.764SS**  trans60.3165163.2-82.4163.4137.600119.6
720G27.7Very low30.8Very low77 Ų77122.2 Ų122.279%0.79476%0.76SS**  cis171.3153.8-6.400000112.2
721G28.4Very low31.1Very low73 Ų73125.5 Ų125.575%0.75376%0.759SS**  trans133.8100.6-173.500000111.7
722C26.4Very low31.4Very low105 Ų105126.4 Ų126.471%0.70975%0.752SS**  cis61.1121.634.3-740000112.8
723F29Very low31.6Very low195 Ų195127.9 Ų127.986%0.85575%0.752SS**  cis-129-170.1-0.4-82.3-77.5000109
724E31.6Very low31.8Very low138 Ų138124.7 Ų124.765%0.64574%0.741SS**  cis-168.9168.832.2-151-164.9136.600111.6
725R37.5Very low32Very low205 Ų205126.2 Ų126.277%0.77474%0.742SS**  trans6499.1164.2-58.3-176.1-170.2173.612.5119.4
726S44.7Very low32.4Very low122 Ų122123.6 Ų123.685%0.85373%0.73SS**  trans-99.7148135.1-65.30000109
727P33.8Very low32.5Very low112 Ų112128 Ų12873%0.72774%0.743SS**  -148134.8114.136-19.5000116.5
728T32.8Very low32.5Very low134 Ų134123.3 Ų123.382%0.82274%0.741SS**  56.2124.9117.3-45.70000123.2
729A33.7Very low32.5Very low83 Ų83123.3 Ų123.369%0.68675%0.753SS**  trans67.9165.2151.300000118.1
730S28.8Very low33.4Very low108 Ų108119.5 Ų119.576%0.75574%0.744SS**  cis-69.3137.414.520000116
731I35.2Very low34Very low141 Ų141124 Ų12472%0.72375%0.749SS**  66.3117.173.7-59.3163.6000111.6
732L32.4Very low34Very low151 Ų151127.6 Ų127.679%0.79175%0.751SS**  cis-166.3-176.9-11.3-139.966.5000106.1
733C34.1Very low34.2Very low97 Ų97128 Ų12866%0.65575%0.75SS**  cis-159.2-172.22.8-147.10000105.9
734D34.2Very low34.4Very low128 Ų128128.3 Ų128.368%0.68475%0.751SS**  cis-157.4-178.2-0.6-166.321.9000110.6
735S34.8Very low34.4Very low90 Ų90128.5 Ų128.563%0.62976%0.755SS**  trans18.6140145.8-68.20000122.4
736S36.1Very low33.9Very low89 Ų89127.3 Ų127.362%0.62276%0.755SS**  cis-169.2157.6-8.863.20000111.3
737N31.5Very low33.2Very low163 Ų163125.5 Ų125.587%0.87274%0.743SS**  trans50.3134153.9-52.9-28.4000120.2
738G29.9Very low32.7Very low71 Ų71128.5 Ų128.573%0.73275%0.747SS**  cis153.5170-3.600000112.9
739S30.9Very low32.7Very low125 Ų125129.9 Ų129.987%0.87475%0.749SS**  trans75.6150.6165.9-1500000119.6
740P48.8Very low32.5Very low103 Ų103130.1 Ų130.167%0.66974%0.741SS**  trans-126.1177.2-174.544.3-31.4000116.5
741L40.2Very low32.5Very low170 Ų170133.2 Ų133.289%0.8974%0.744SS**  trans73.2155.7152.7-83.1164.5000121.9
742D28.3Very low32.4Very low150 Ų150133.8 Ų133.880%0.80275%0.748SS**  trans86.6165.5157-15428.7000121.2
743V30.3Very low32.1Very low113 Ų113132.6 Ų132.669%0.68575%0.747SS**  trans96.2112.2167.5-167.10000118I745V743-I745 HydrophobicContact CG1-CD1 4.36Å; V743-I745 HydrophobicContact CG1-CG1 4.06Å
744K33.6Very low31.9Very low201 Ų201131.3 Ų131.387%0.87475%0.751SS**  trans-94.8125.5175.4156.3-163.2171.4-173.90110.7
745I30.9Very low31.5Very low143 Ų143129.9 Ų129.973%0.73375%0.75SS**  trans-138.5115168.9-39.1-177000106.3V743V743-I745 HydrophobicContact CG1-CD1 4.36Å; V743-I745 HydrophobicContact CG1-CG1 4.06Å
746K26.9Very low30.9Very low180 Ų180131 Ų13178%0.78376%0.758SS**  52.4105.784-94.2-157.7167.7-162.90112.2
747S30.3Very low30.3Very low84 Ų84134 Ų13459%0.58777%0.767SS**  86.7122.573.670.80000113.9
748E23.6Very low30Very low175 Ų175131.6 Ų131.682%0.81876%0.758SS**  trans70.4114.3134.8-168.6169-11700119.4
749L32.3Very low29.9Very low163 Ų163137.3 Ų137.385%0.85376%0.762SS**  -148124.5128.8-159.766.1000112.1
750T29.7Very low29.8Very low87 Ų87135.3 Ų135.353%0.53475%0.749SS.*  trans-39.7140.1159.823.80000114.4
751E28.8Very low28.7Very low173 Ų173137.3 Ų137.381%0.80875%0.749SS**  67.3109.182.7-63.9-168.9136.200116.2
752D32.2Very low28Very low153 Ų153136.1 Ų136.182%0.81874%0.744SS**  trans-162.2126.5136.1-106.8-26.3000105.2
753V26.4Very low28.2Very low126 Ų126136.1 Ų136.176%0.76474%0.743SS**  66.6123.762.1-174.80000112.5
754G29.9Very low28Very low71 Ų71136.4 Ų136.473%0.73275%0.75SS**  trans144.254.5-163.700000111.3
755S25.5Very low27.9Very low97 Ų97129.8 Ų129.868%0.67874%0.739SS**  56.986.769.3-670000114.1
756S22.3Very low27.9Very low113 Ų113132.5 Ų132.579%0.7975%0.745SS**  77.6142.4129.2-53.20000121.8
757L24.2Very low28.2Very low154 Ų154133 Ų13381%0.80675%0.747SS**  trans85.8153.3138.6-152.968.6000119.4
758T25.9Very low28.1Very low111 Ų111140.1 Ų140.168%0.68176%0.761SS**  trans73146.1170.679.90000112.9
759K27.3Very low28.4Very low191 Ų191139.3 Ų139.383%0.8376%0.762SS**  cis173.8176.6-2.9-110.4177.9-176-177.20103.1
760S28.7Very low28Very low84 Ų84135.6 Ų135.659%0.58775%0.749SS**  cis-160.8172-1.5145.80000107.7
761E25.5Very low27.9Very low145 Ų145136.1 Ų136.168%0.67876%0.757SS**  trans-1.8133159.8-72.9105.9127.800119.5
762D25.5Very low28Very low145 Ų145137.6 Ų137.678%0.77576%0.756SS**  58.6129.876.4-87.3-48.5000114.6
763L32.3Very low27.8Very low150 Ų150133.4 Ų133.479%0.78575%0.749SS**  166.8129.9108.1-87.6-179.3000114.8
764S27.1Very low28Very low119 Ų119135.5 Ų135.583%0.83275%0.748SS**  trans69.8158.9149.380.10000119.3
765G30.1Very low28.1Very low62 Ų62140.1 Ų140.164%0.63976%0.756SS**  cis-106165.8-4.900000113.6
766K32.1Very low28.2Very low200 Ų200140.2 Ų140.287%0.8776%0.756SS**  53.512256.3-73.8176.9176.8169.10111.2
767K32.4Very low28.9Very low189 Ų189140.3 Ų140.382%0.82276%0.755SS**  cis-136.7151.414.8-55.5167.7-173.1168.20108.3
768R27.8Very low29Very low235 Ų235139.4 Ų139.489%0.88775%0.75SS**  59140.758.2-96.5-158.1-161.9-171.68.9114.9
769L29.5Very low29.1Very low158 Ų158142.1 Ų142.183%0.82775%0.753SS**  trans76.8148.2166.4-61.4157.5000115.9
770S25.1Very low29.1Very low85 Ų85139.6 Ų139.659%0.59475%0.748SS**  cis-171.9168.2-19.3-171.20000110.6
771S27.6Very low29Very low98 Ų98139.8 Ų139.869%0.68575%0.75SS**  trans74.1157.9146.4-64.20000119.3
772Y30.3Very low29.1Very low204 Ų204140.1 Ų140.180%0.875%0.751SS**  cis-170.5147-41.6-125.1-68.8000107.4K774Y772-K774 HydrophobicContact CD1-CG 4.26Å
773G28.7Very low29.3Very low65 Ų65140 Ų14067%0.6775%0.746SS**  trans152.578177.300000110.6
774K31.2Very low29Very low169 Ų169138.4 Ų138.474%0.73574%0.738SS**  46.8105.377.5-65-171.7174.9-174.80112.6Y772Y772-K774 HydrophobicContact CD1-CG 4.26Å
775N30.3Very low29.2Very low168 Ų168139.7 Ų139.790%0.89874%0.735SS**  -163.4147.198.6-85.3-21.2000111.8
776S28.9Very low29.3Very low99 Ų99146 Ų14669%0.69275%0.745SS**  trans-147.2141.9169172.30000106.2
777P36.6Very low29.2Very low116 Ų116142.9 Ų142.975%0.75374%0.742SS**  -123.4157.2112.3-1.523.2000113.1
778L26.8Very low29Very low134 Ų134139.8 Ų139.870%0.70273%0.731SS**  cis71.4135.749.4-119.359.1000111.7
779F27.8Very low29.6Very low169 Ų169134.4 Ų134.474%0.74173%0.727SS**  cis-128.3155.412.2-89.8-98.1000109.9
780D26.5Very low29.7Very low137 Ų137135.9 Ų135.973%0.73372%0.721SS**  73.5151.468.9-137.722.5000113.1
781S27.4Very low30.4Very low89 Ų89137.8 Ų137.862%0.62273%0.732SS**  cis-154.1-174.61570.90000115.9
782Q27.8Very low30.6Very low151 Ų151136.5 Ų136.571%0.70673%0.726SS**  trans-23.8165.9165.6-52.4173.5-71.500118.6
783Q28.5Very low31Very low144 Ų144135.1 Ų135.167%0.67373%0.727SS**  cis-153.3-155.90.5-133.8153.9-123.100108.5
784D26.1Very low31.3Very low116 Ų116141 Ų14162%0.6274%0.735SS**  cis-157-178.98.1-139.2-55.1000113.8
785L31.8Very low31.8Very low146 Ų146140.5 Ų140.576%0.76474%0.739SS**  trans-57.5139.7170.3-65.9153.4000115.2
786K32.1Very low32.8Very low194 Ų194136.3 Ų136.384%0.84373%0.727SS**  172.5133.8113.9-94.4168.8-177.4175.30116.7
787T31Very low33.6Very low134 Ų134140 Ų14082%0.82273%0.73SS**  trans30.6135.7139.1-28.40000123.7
788E27.8Very low34.1Very low125 Ų125144.1 Ų144.158%0.58473%0.733SS**  trans-56.9161.4161.6-142.6-156.9110.600112.8R790E788-R790 WeakPolarHBondContact OE1-CB 3.43Å; E788-R790 WeakPolarHBondContact OE1-CG 3.44Å; E788-R790 PolarHBondContact OE1-N 3.46Å; E788-R790 IonicContact OE1-NH1 3.45Å; E788-R790 PolarHBondContact OE1-NH1 3.36Å; E788-R790 IonicContact OE2-NH1 3.65Å
789P40.3Very low35.6Very low122 Ų122139.8 Ų139.879%0.79272%0.72SS**  -147.2154.481.936.6-17.9000118.3
790R31.5Very low37Very low189 Ų189138 Ų13871%0.71372%0.718SS**  trans-30.6168.1151.5-100-177.5-172.792.4-9118E788E788-R790 WeakPolarHBondContact OE1-CB 3.43Å; E788-R790 WeakPolarHBondContact OE1-CG 3.44Å; E788-R790 PolarHBondContact OE1-N 3.46Å; E788-R790 IonicContact OE1-NH1 3.45Å; E788-R790 PolarHBondContact OE1-NH1 3.36Å; E788-R790 IonicContact OE2-NH1 3.65Å
791P39.8Very low38.3Very low125 Ų125137.3 Ų137.381%0.81271%0.713SS**  cis-129.3-17636.520.54.8000114.7
792A32Very low39.6Very low70 Ų70135.7 Ų135.758%0.57970%0.702SS**  cis169.5-173.9-26.200000105.9
793E38.2Very low41Very low175 Ų175135.3 Ų135.382%0.81870%0.7SS**  trans64.282.8164.3-62-179.3-142.100119.9
794F35.9Very low42.2Very low189 Ų189133.3 Ų133.383%0.82969%0.693SS**  -16978.1117.2-124.7-98.4000111.2
795I40.5Very low43.6Very low159 Ų159134.7 Ų134.782%0.81570%0.7SS**  trans-101.5134.7-173.2-68.9176.2000112.4
796A51.1Low44.5Very low79 Ų79136.9 Ų136.965%0.65370%0.703SS**  trans40.471.515600000119.2
797K46.1Very low45.5Very low176 Ų176135.2 Ų135.277%0.76570%0.699SS**THydrogen-bonded Turntrans-99.4101.5149.5-64.1177-176.8175.40107
798Y48Very low46.1Very low204 Ų204136.5 Ų136.580%0.870%0.695SS**THydrogen-bonded Turncis-125.512527.6-61.3-95.3000113.3
799G57.7Low46.5Very low42 Ų42136.3 Ų136.343%0.43370%0.703SS.*  trans-82-177.9167.300000113.8L801 S802G799-L801 PolarHBondContact O-N 2.88Å; G799-S802 PolarHBondContact O-N 3.35Å; G799-S802 PolarHBondContact O-OG 3.18Å
800L56.9Low46.4Very low132 Ų132137.2 Ų137.269%0.69171%0.707SS**THydrogen-bonded Turntrans-45.1-27.3-168.7-153.170.1000117S802 Q803 L804L800-S802 VanDerWaalsContact C-N 3.25Å; L800-S802 PolarHBondContact O-N 2.93Å; L800-Q803 VanDerWaalsContact O-CB 3.27Å; L800-Q803 WeakPolarHBondContact O-CB 3.35Å; L800-Q803 PolarHBondContact O-N 2.71Å; L800-L804 PolarHBondContact O-N 3.36Å
801L54.6Low46.4Very low122 Ų122133.3 Ų133.364%0.63970%0.704SS**Hα-helixtrans-63.9-26.9176.7-77.2165000113.5G799 Q803 L804 L805G799-L801 PolarHBondContact O-N 2.88Å; L801-Q803 PolarHBondContact O-N 3.47Å; L801-L804 HydrophobicContact CD2-CD1 4.26Å; L801-L804 PolarHBondContact O-N 2.91Å; L801-L805 WeakPolarHBondContact O-CB 3.25Å; L801-L805 PolarHBondContact O-N 2.84Å
802S54.4Low46.1Very low56 Ų56137.2 Ų137.239%0.39270%0.704SS.*Hα-helixtrans-63.4-22.3171.559.40000113.4G799 L800G799-S802 PolarHBondContact O-N 3.35Å; G799-S802 PolarHBondContact O-OG 3.18Å; L800-S802 VanDerWaalsContact C-N 3.25Å; L800-S802 PolarHBondContact O-N 2.93Å
803Q55.9Low45.9Very low142 Ų142143.9 Ų143.966%0.66472%0.715SS**Hα-helixtrans-89.7-23.8178.5-157.9168.61.900112.3L800 L801L800-Q803 VanDerWaalsContact O-CB 3.27Å; L800-Q803 WeakPolarHBondContact O-CB 3.35Å; L800-Q803 PolarHBondContact O-N 2.71Å; L801-Q803 PolarHBondContact O-N 3.47Å
804L54.4Low45.4Very low102 Ų102141.1 Ų141.153%0.53472%0.715SS.*Hα-helixtrans-85-44.5174.6-78.1158.5000112.6L800 L801 K806 Q807L800-L804 PolarHBondContact O-N 3.36Å; L801-L804 HydrophobicContact CD2-CD1 4.26Å; L801-L804 PolarHBondContact O-N 2.91Å; L804-K806 PolarHBondContact O-N 2.99Å; L804-Q807 WeakPolarHBondContact O-CB 3.49Å; L804-Q807 PolarHBondContact O-N 2.73Å; L804-Q807 VanDerWaalsContact O-N 3.13Å
805L55.4Low45.1Very low146 Ų146137.4 Ų137.476%0.76471%0.713SS**G310 helixtrans-64.5-19.1178.8-86.6158.7000113.8L801 Q807L801-L805 WeakPolarHBondContact O-CB 3.25Å; L801-L805 PolarHBondContact O-N 2.84Å; L805-Q807 PolarHBondContact O-N 3.42Å
806K50.6Low44.6Very low191 Ų191134.5 Ų134.583%0.8371%0.713SS**G310 helixtrans-83.44.7177.2-151.2171.7-175.8176.70113.8L804L804-K806 PolarHBondContact O-N 2.99Å
807Q54Low43.5Very low160 Ų160135.1 Ų135.175%0.74872%0.718SS**G310 helixtrans-104.31.7-175.4-152.6174.586.800114L804 L805L804-Q807 WeakPolarHBondContact O-CB 3.49Å; L804-Q807 PolarHBondContact O-N 2.73Å; L804-Q807 VanDerWaalsContact O-N 3.13Å; L805-Q807 PolarHBondContact O-N 3.42Å
808Q43.3Very low42.7Very low160 Ų160132 Ų13275%0.74871%0.714SS**SBendtrans-132150.3177.6-65.5-1601.700114.2
809T36.9Very low41.8Very low122 Ų122130 Ų13075%0.74871%0.714SS**  trans51.289.1166.554.10000117.9
810T36.5Very low40.3Very low141 Ų141136 Ų13687%0.86573%0.731SS**  trans-61.2119.3147.446.50000111.7
811T33.3Very low39.4Very low107 Ų107134.3 Ų134.366%0.65673%0.727SS**  trans-159.3140.91594.90000113.8
812Y31.6Very low38Very low206 Ų206136.9 Ų136.981%0.80874%0.736SS**  trans57.7124.8162.2-61.2-65.5000122.6
813Y28.5Very low37.4Very low210 Ų210138.5 Ų138.582%0.82475%0.745SS**  trans25.6129.1133.1-92.9-102.6000120.2
814S27.8Very low36.1Very low117 Ų117140.3 Ų140.382%0.81875%0.754SS**  -167.717788.2-157.60000112.6
815S28.9Very low35Very low111 Ų111139.5 Ų139.578%0.77676%0.756SS**  trans-115.5177.9-168.5-65.60000113.8
816A30.5Very low33.7Very low99 Ų99142.8 Ų142.882%0.81876%0.759SS**  trans-77.7146.1-165.600000117.4
817A28.6Very low32.6Very low91 Ų91140.9 Ų140.975%0.75275%0.753SS**  trans-149.4142.8145.200000106.2
818T29.1Very low31.3Very low112 Ų112139.4 Ų139.469%0.68776%0.755SS**  cis84.613124-43.30000113.8
819M28.9Very low30.8Very low162 Ų162140.1 Ų140.180%0.79876%0.755SS**  trans76.7131.9-170.3-45.2-49.3175.700114.6
820Q26.8Very low30.6Very low168 Ų168141.8 Ų141.879%0.78576%0.755SS**  cis76.6148.732.3-66.3-774300114.8
821P36.6Very low30.3Very low95 Ų95143 Ų14362%0.61775%0.751SS**  cis-139.7172.9-2039.5-22.7000116
822E26.7Very low30.1Very low176 Ų176144 Ų14482%0.82275%0.748SS**  trans59.4-178.3142.7-94.3-153.8124.900121.4
823P42.2Very low30.2Very low90 Ų90142.6 Ų142.658%0.58474%0.741SS**  cis-135.3-175.1-28.226.5-4.1000116.1
824Q28.5Very low30.1Very low180 Ų180137.7 Ų137.784%0.84173%0.729SS**  trans101135.7150.3-59.7-163-3.900120.4
825S29.8Very low30Very low85 Ų85141.7 Ų141.759%0.59473%0.727SS**  cis-165.7157-17.166.10000115.1
826R27.8Very low30.5Very low215 Ų215142 Ų14281%0.81173%0.726SS**  trans69.1148.1154-70.8174.6-177.1-1651118.4
827Q29Very low30.2Very low151 Ų151144.1 Ų144.171%0.70672%0.724SS**  cis-157.8137.22.3-135.3163.9-2600113.7
828V26.6Very low30.7Very low130 Ų130145.8 Ų145.879%0.78873%0.727SS**  trans55.3137.6142.6168.60000119.4
829K31.8Very low30.7Very low174 Ų174145.7 Ų145.776%0.75773%0.731SS**  cis-147.9128.425.3-157.9166.6-179.8-175.50109.3
830E33.1Very low31Very low158 Ų158144.1 Ų144.174%0.73873%0.733SS**  57.3131.491.8-127.2165.4-164.700114.6
831E29.5Very low31.3Very low167 Ų167146.3 Ų146.378%0.7874%0.74SS**  cis-143.6156.728.3-173.8172.8160.100115.2
832H30.9Very low31.3Very low128 Ų128153 Ų15359%0.59375%0.753SS**  trans-21.5159.2168.3-67.8151.6000121.4
833R32.2Very low31.7Very low176 Ų176154.5 Ų154.566%0.66475%0.751SS**  cis-169.8177.44.3-113.9166.6-164.3-71.9-14.7110.4
834D26.8Very low31.4Very low107 Ų107159.6 Ų159.657%0.57276%0.758SS**  cis-151.6-170.1-3.4-139.8-35.4000112.1
835Y25.2Very low31.4Very low201 Ų201156.1 Ų156.179%0.78875%0.745SS**  trans-140.5-176.8-179.2-90.6-74.8000111.2
836P39.8Very low31.1Very low116 Ų116155.4 Ų155.475%0.75374%0.74SS**  cis-137.2175.314.843-24.1000118.7
837N23.5Very low31.1Very low145 Ų145147.8 Ų147.878%0.77572%0.719SS**PPolyproline II helixtrans-87.7148.2169.1-77.2-54.6000112.9
838P39Very low31Very low126 Ų126147.9 Ų147.982%0.81872%0.72SS**PPolyproline II helixtrans-92.8140.1166.135-31.6000113.3
839S29.8Very low31.3Very low110 Ų110149.3 Ų149.377%0.76972%0.717SS**PPolyproline II helixtrans-94.4145.3176.761.70000113.3
840P34.9Very low31.3Very low129 Ų129145.7 Ų145.784%0.83871%0.71SS**PPolyproline II helixtrans-76.2146.3-176.831.3-35.9000113.9
841K33.5Very low31.2Very low213 Ų213145.2 Ų145.293%0.92671%0.712SS**  trans-119.1145.8177.3-121.8169.9-179.1169.80111.8
842R37.6Very low31.1Very low237 Ų237140 Ų14089%0.89470%0.695SS**  trans-106.9156.6-168.5-53.7164.374.5-175.76.9111.9
843R35.2Very low31.4Very low206 Ų206139.4 Ų139.478%0.77770%0.695SS**  trans148.1155.2155.3-87.816864.9126.93.6109.6
844R33.9Very low31.4Very low197 Ų197136 Ų13674%0.74369%0.69SS**  cis-163179.9-19.6-116.7179.1-159.8-167.36.1107.2
845L29Very low31.6Very low107 Ų107134.4 Ų134.456%0.5669%0.687SS**  trans-114.3162.8-177.2-63.994.6000109.9P576 H577P576-L845 CarbonylContact O-C 3.37Å; P576-L845 VanDerWaalsContact O-CB 3.26Å; P576-L845 WeakPolarHBondContact O-CB 3.29Å; H577-L845 VanDerWaalsContact O-CD2 3.25Å; H577-L845 WeakPolarHBondContact O-CD2 3.23Å
846C24.5Very low32.2Very low71 Ų71131.5 Ų131.548%0.4868%0.684SS.*  cis-175.4-174.3-14.2-99.80000108.9P576 H577P576-C846 WeakPolarHBondContact CD-O 3.31Å; P576-C846 VanDerWaalsContact CG-O 3.27Å; P576-C846 WeakPolarHBondContact CG-O 3.27Å; P576-C846 PolarHBondContact O-N 3.12Å; H577-C846 HydrophobicContact CB-CB 3.85Å
847S27.2Very low32Very low54 Ų54130.4 Ų130.438%0.37868%0.679SS.*  trans55.7118.1151.1-60.80000123.6H577H577-S847 VanDerWaalsContact CB-OG 3.29Å; H577-S847 WeakPolarHBondContact CB-OG 3.3Å; H577-S847 PolarHBondContact CD2-OG 3.2Å
848E27.6Very low32.3Very low154 Ų154128.1 Ų128.172%0.7268%0.675SS**  65.7110.1112.4-164.4175.7-160.600121.7
849H33.2Very low32.8Very low159 Ų159128.2 Ų128.274%0.73668%0.675SS**  -174.3139121.1-126.4-97.3000115.8
850T31.8Very low32.9Very low99 Ų99134.5 Ų134.561%0.60768%0.682SS**  trans31.6121.1149.352.60000125.6
851D30.1Very low32.8Very low147 Ų147132 Ų13279%0.78667%0.672SS**  64.5121.2116.3-64.4-38.9000127.1
852S28.5Very low32.9Very low59 Ų59128.3 Ų128.341%0.41367%0.667SS.*  98.4109.8120.7-171.60000122.7R977S852-R977 VanDerWaalsContact CB-NH2 3.28Å; S852-R977 PolarHBondContact O-NE 3.43Å; S852-R977 PolarHBondContact O-NH1 3.23Å; S852-R977 PolarHBondContact O-NH2 3.25Å; S852-R977 PolarHBondContact OG-NH2 2.95Å
853L35.6Very low32.5Very low115 Ų115123.3 Ų123.360%0.60266%0.658SS**  trans66.4125.3131.1-59.8176.5000125.3R977L853-R977 PolarHBondContact O-NH1 3.39Å
854N32.4Very low32.1Very low104 Ų104118.9 Ų118.956%0.55666%0.659SS**  trans76.6147.7133.1-67.67000121.6L979N854-L979 WeakPolarHBondContact O-CB 3.4Å
855S31.6Very low32Very low73 Ų73113.2 Ų113.251%0.5166%0.661SS.*  cis-175.9153.8-11.850.10000114
856I37.8Very low32Very low140 Ų140116 Ų11672%0.71868%0.677SS**  trans73.4159.1157.7-100.8167.5000115.5
857S34.7Very low32.4Very low93 Ų93115.8 Ų115.865%0.6568%0.68SS**  cis-141.8-153.129.370.80000116.4
858S31.2Very low32.5Very low98 Ų98120.4 Ų120.469%0.68570%0.701SS**  trans-157.1158.8178.8153.20000110.1
859P48.4Very low32.7Very low128 Ų128120.9 Ų120.983%0.83171%0.705SS**  -133.7-154.4127.139.3-28.9000114.3
860R32.6Very low32.4Very low242 Ų242118.3 Ų118.391%0.91371%0.705SS**  trans-147.8154.7-137.3-139.7-167.4-154.1-177.17.1116.5
861A32.3Very low32.1Very low76 Ų76118 Ų11863%0.62871%0.712SS**  trans87.4157.6136.800000124.2
862V34.8Very low32.1Very low135 Ų135116.9 Ų116.982%0.81872%0.716SS**  trans64149.1162.8-620000119.8
863D30Very low32.2Very low132 Ų132119.4 Ų119.471%0.70673%0.734SS**  cis-152.4169.5-0.8-142.6-55.4000112.6
864S28.1Very low31.9Very low114 Ų114120.2 Ų120.280%0.79774%0.744SS**  trans40139.4150.4-690000121.6
865G30.2Very low31.8Very low77 Ų77120.7 Ų120.779%0.79475%0.75SS**  cis175.3-1528.800000108
866N30.5Very low31.7Very low166 Ų166125.9 Ų125.989%0.88877%0.766SS**  cis-169.1-179.7-12.9-160.6-4.6000109.4
867A31.3Very low31.2Very low66 Ų66124 Ų12455%0.54577%0.771SS.*  trans80.5114.9155.400000123.2
868N29Very low30.6Very low152 Ų152126.7 Ų126.781%0.81378%0.779SS**  trans70.9152.5138-56.2-8.5000121.3
869M32.1Very low31.5Very low163 Ų163126.5 Ų126.580%0.80378%0.775SS**  cis-175.8136.7-38.3-107.9-74.6-174.700109.1
870S27Very low30.4Very low106 Ų106127.8 Ų127.874%0.74177%0.77SS**  trans63117.4151.2-57.60000125.5
871A25Very low30.2Very low92 Ų92123 Ų12376%0.7676%0.758SS**  75.6100.3121.800000125.4
872S30.6Very low30.1Very low124 Ų124125.8 Ų125.887%0.86776%0.758SS**  61.3151.2112.2-55.80000126.8
873S32Very low29.7Very low112 Ų112129.7 Ų129.778%0.78376%0.758SS**  trans86.7145162-132.30000117
874T27.7Very low29.3Very low132 Ų132128.4 Ų128.481%0.8176%0.759SS**  cis-125.3-134.825.357.60000117.8
875V31.1Very low29.5Very low113 Ų113129.9 Ų129.969%0.68576%0.757SS**  -162.3169.7-126.280.10000117.3
876Q29Very low29.2Very low183 Ų183133.9 Ų133.986%0.85575%0.753SS**  trans73.5156.5167.4-73.9175.43.400117.8
877A26.9Very low29Very low99 Ų99131.6 Ų131.682%0.81874%0.737SS**  cis-145.3-177.310.200000114.3
878D24Very low28.8Very low151 Ų151136.5 Ų136.581%0.80775%0.749SS**  trans-115.8-175.2177.3-151.632.3000109.1
879P49.2Very low28.6Very low93 Ų93136.2 Ų136.260%0.60474%0.742SS**  cis-144.9-171.12.846.7-26.5000118.9
880E25.7Very low28.3Very low155 Ų155135.6 Ų135.672%0.72474%0.741SS**  trans93.7130.2144.8-80.7-158.7112.800126.9
881Q28.9Very low29.2Very low142 Ų142135.6 Ų135.666%0.66474%0.739SS**  trans87.5104.8138.4-72.8-177.326.900127.3
882Q28.6Very low29.7Very low134 Ų134136.1 Ų136.163%0.62673%0.734SS**  88.4137.5118.8-84.1-164.64.100127.4
883R26.5Very low29.5Very low217 Ų217141.4 Ų141.482%0.81974%0.736SS**  trans71.2144.6163.5-60.8-178.7-165.892.55.1117.9
884S22.1Very low29.5Very low106 Ų106141.5 Ų141.574%0.74174%0.736SS**  cis-161.1139.7-10.545.90000107.6
885L31.5Very low29.7Very low144 Ų144141 Ų14175%0.75474%0.735SS**  cis86.810045.2-163.4158.5000114.8
886K24.3Very low29.5Very low162 Ų162143.9 Ų143.970%0.70474%0.743SS**  -162.1128.3126.7-92.9-152.2167.5-74.30108.1
887E26.4Very low29.4Very low117 Ų117139.4 Ų139.455%0.54773%0.732SS.*  79109.552.9-165.5-174.7142.200109.6
888E27.2Very low29.4Very low170 Ų170143.2 Ų143.279%0.79473%0.733SS**  69.6143.288.7-117.3165.813300111.7
889E24.3Very low29.8Very low146 Ų146142 Ų14268%0.68273%0.731SS**  cis-165.8152.730.8-179.9176.5173.500113
890L26.6Very low29.1Very low149 Ų149144.2 Ų144.278%0.7874%0.737SS**  trans65.6166.2157.7-77.7171.9000122.9
891P46Very low29.3Very low106 Ų106143.3 Ų143.369%0.68874%0.743SS**  trans-112-134.9-167.747.2-37.4000110.4
892P36.2Very low29.7Very low103 Ų103146.3 Ų146.367%0.66975%0.748SS**  cis-125.8167-29.837.8-23000114.4
893R26.1Very low30Very low236 Ų236149.5 Ų149.589%0.89176%0.762SS**  trans166.9120.8138.1-96.3160.6172.5138.6-4.1111.1
894S31.3Very low30.6Very low114 Ų114142.7 Ų142.780%0.79775%0.748SS**  trans-79.2151.2140.850.10000108.5
895P31.5Very low31.7Very low120 Ų120149.3 Ų149.378%0.77976%0.757SS**  -138.1149.2111.536.7-25.8000115.4
896M26.9Very low32.2Very low174 Ų174146.1 Ų146.186%0.85776%0.759SS**  trans-35.1155.6151.6-94.5166.466.900115.7
897S27.8Very low33.4Very low90 Ų90145.6 Ų145.663%0.62976%0.757SS**  cis-155.7169.46-55.30000112
898E26.5Very low35Very low179 Ų179144.6 Ų144.684%0.83676%0.755SS**  trans167114.8136.6-91.7173.5-164.700107.9
899T31.7Very low36.6Very low125 Ų125140.4 Ų140.477%0.76774%0.741SS**  60143.676.161.50000117.1
900L34.1Very low38.1Very low139 Ų139139.1 Ų139.173%0.72874%0.738SS**  cis-172.2125.1-28.4176.1142.9000109.6R902L900-R902 HydrophobicContact CD2-CB 4.32Å
901T30.5Very low39.8Very low137 Ų137138.4 Ų138.484%0.8473%0.729SS**  trans-167.8115154.327.70000106.9
902R36.7Very low40.6Very low205 Ų205139.1 Ų139.177%0.77472%0.723SS**  65.590.150.5-165.1-169.7-179.6172.61.9113.8L900L900-R902 HydrophobicContact CD2-CB 4.32Å
903E35.8Very low41.8Very low200 Ų200138.3 Ų138.394%0.93571%0.713SS**  trans-138.2148.2135.7-141.6170.4-131.100109.6
904S38.9Very low43.4Very low74 Ų74133.6 Ų133.652%0.51771%0.705SS.*  trans-145.7129-148.558.40000116.8G906S904-G906 PolarHBondContact O-N 3.49Å
905R45Very low44.8Very low246 Ų246134.5 Ų134.593%0.92870%0.699SS**  trans48.358.1141.4-53.6-176.2-163.5-125.63.6117F907R905-F907 PolarHBondContact O-N 3.31Å
906G42.4Very low45.7Very low77 Ų77130.5 Ų130.579%0.79467%0.674SS**  trans-76.651.915800000112.8S904 N908S904-G906 PolarHBondContact O-N 3.49Å; G906-N908 PolarHBondContact O-N 3.18Å
907F50.1Low47.1Very low151 Ų151130.2 Ų130.266%0.66268%0.676SS**  trans-66.9103.5178.1-168.9-78.4000108.4R905 V909 Q912R905-F907 PolarHBondContact O-N 3.31Å; F907-V909 VanDerWaalsContact C-N 3.25Å; F907-V909 HydrophobicContact CD1-CG2 3.71Å; F907-V909 HydrophobicContact CE1-CG2 4.2Å; F907-V909 PolarHBondContact O-N 2.91Å; F907-Q912 VanDerWaalsContact CZ-OE1 3.3Å
908N59Low48.3Very low95 Ų95132.4 Ų132.451%0.50868%0.681SS.*  trans-84.671.6-165-159.3-31.5000110.5G906 L910 K911 Q912G906-N908 PolarHBondContact O-N 3.18Å; N908-L910 PolarHBondContact O-N 3.4Å; N908-L910 VanDerWaalsContact O-N 3.16Å; N908-K911 HydrophobicContact CB-CB 3.95Å; N908-K911 WeakPolarHBondContact O-CA 3.44Å; N908-K911 WeakPolarHBondContact O-CB 3.46Å; N908-K911 PolarHBondContact O-N 2.79Å; N908-K911 WeakPolarHBondContact OD1-CB 3.28Å; N908-K911 PolarHBondContact OD1-N 3.47Å; N908-K911 VanDerWaalsContact OD1-N 3.09Å; N908-Q912 PolarHBondContact O-N 3.03Å
909V60.6Low49.1Very low83 Ų83127.8 Ų127.850%0.50367%0.668SS.*Hα-helixtrans-50.9-38.4178.8-175.30000110.6F907 K911 Q912 L913F907-V909 VanDerWaalsContact C-N 3.25Å; F907-V909 HydrophobicContact CD1-CG2 3.71Å; F907-V909 HydrophobicContact CE1-CG2 4.2Å; F907-V909 PolarHBondContact O-N 2.91Å; V909-K911 PolarHBondContact O-N 3.18Å; V909-Q912 CarbonylContact O-C 3.6Å; V909-Q912 PolarHBondContact O-N 3.5Å; V909-L913 HydrophobicContact CG1-CD1 3.92Å; V909-L913 HydrophobicContact CG1-CG 4.23Å; V909-L913 WeakPolarHBondContact O-CB 3.46Å; V909-L913 WeakPolarHBondContact O-CG 3.36Å; V909-L913 PolarHBondContact O-N 3.17Å
910L56.1Low49.8Very low119 Ų119129.9 Ų129.962%0.62367%0.673SS**Hα-helixtrans-62.4-43.6177.3-152.476.8000111.9N908 Q912 L913 L914N908-L910 PolarHBondContact O-N 3.4Å; N908-L910 VanDerWaalsContact O-N 3.16Å; L910-Q912 VanDerWaalsContact C-N 3.31Å; L910-Q912 PolarHBondContact O-N 2.93Å; L910-L913 PolarHBondContact O-N 3.26Å; L910-L914 HydrophobicContact CD2-CD1 4.49Å; L910-L914 HydrophobicContact CG-CD1 4.16Å; L910-L914 VanDerWaalsContact O-CB 3.28Å; L910-L914 WeakPolarHBondContact O-CB 3.45Å; L910-L914 WeakPolarHBondContact O-CD1 3.17Å; L910-L914 WeakPolarHBondContact O-CG 3.28Å; L910-L914 PolarHBondContact O-N 3.44Å
911K63Low50.5Low133 Ų133130.6 Ų130.658%0.57867%0.671SS**Hα-helixtrans-67.9-29.1175.1-165.9176.6-176.4-177.10112.6N908 V909 L915N908-K911 HydrophobicContact CB-CB 3.95Å; N908-K911 WeakPolarHBondContact O-CA 3.44Å; N908-K911 WeakPolarHBondContact O-CB 3.46Å; N908-K911 PolarHBondContact O-N 2.79Å; N908-K911 WeakPolarHBondContact OD1-CB 3.28Å; N908-K911 PolarHBondContact OD1-N 3.47Å; N908-K911 VanDerWaalsContact OD1-N 3.09Å; V909-K911 PolarHBondContact O-N 3.18Å; K911-L915 HydrophobicContact CG-CD1 3.99Å; K911-L915 VanDerWaalsContact O-CB 3.29Å; K911-L915 WeakPolarHBondContact O-CB 3.22Å; K911-L915 WeakPolarHBondContact O-CD1 3.49Å; K911-L915 VanDerWaalsContact O-CG 3.25Å; K911-L915 WeakPolarHBondContact O-CG 3.44Å; K911-L915 PolarHBondContact O-N 3.03Å
912Q63.5Low51Low122 Ų122132.5 Ų132.557%0.5767%0.67SS**Hα-helixtrans-79-34.9173.9-170169.8-8.500112.6F907 N908 V909 L910 L915 S916F907-Q912 VanDerWaalsContact CZ-OE1 3.3Å; N908-Q912 PolarHBondContact O-N 3.03Å; V909-Q912 CarbonylContact O-C 3.6Å; V909-Q912 PolarHBondContact O-N 3.5Å; L910-Q912 VanDerWaalsContact C-N 3.31Å; L910-Q912 PolarHBondContact O-N 2.93Å; Q912-L915 CarbonylContact O-C 3.51Å; Q912-L915 PolarHBondContact O-N 3.09Å; Q912-S916 WeakPolarHBondContact O-CB 3.39Å; Q912-S916 PolarHBondContact O-N 3.19Å; Q912-S916 PolarHBondContact O-OG 3.08Å
913L59.7Low51.3Low85 Ų85130.8 Ų130.845%0.44568%0.675SS.*Hα-helixtrans-65.1-50.7172.2-76167.6000111V909 L910 L915 S916V909-L913 HydrophobicContact CG1-CD1 3.92Å; V909-L913 HydrophobicContact CG1-CG 4.23Å; V909-L913 WeakPolarHBondContact O-CB 3.46Å; V909-L913 WeakPolarHBondContact O-CG 3.36Å; V909-L913 PolarHBondContact O-N 3.17Å; L910-L913 PolarHBondContact O-N 3.26Å; L913-L915 PolarHBondContact O-N 3.46Å; L913-S916 PolarHBondContact O-N 3.12Å; L913-S916 VanDerWaalsContact O-N 3.12Å; L913-S916 PolarHBondContact O-OG 3.42Å; L913-S916 VanDerWaalsContact O-OG 3.08Å
914L60.8Low51.5Low138 Ų138126.9 Ų126.972%0.72367%0.67SS**THydrogen-bonded Turntrans-63.9-17.4178.3-71.9167.2000114.3L910L910-L914 HydrophobicContact CD2-CD1 4.49Å; L910-L914 HydrophobicContact CG-CD1 4.16Å; L910-L914 VanDerWaalsContact O-CB 3.28Å; L910-L914 WeakPolarHBondContact O-CB 3.45Å; L910-L914 WeakPolarHBondContact O-CD1 3.17Å; L910-L914 WeakPolarHBondContact O-CG 3.28Å; L910-L914 PolarHBondContact O-N 3.44Å
915L60Low51.1Low132 Ų132128.8 Ų128.869%0.69167%0.671SS**THydrogen-bonded Turntrans-116.415176.9-60.7176.2000112.7K911 Q912 L913K911-L915 HydrophobicContact CG-CD1 3.99Å; K911-L915 VanDerWaalsContact O-CB 3.29Å; K911-L915 WeakPolarHBondContact O-CB 3.22Å; K911-L915 WeakPolarHBondContact O-CD1 3.49Å; K911-L915 VanDerWaalsContact O-CG 3.25Å; K911-L915 WeakPolarHBondContact O-CG 3.44Å; K911-L915 PolarHBondContact O-N 3.03Å; Q912-L915 CarbonylContact O-C 3.51Å; Q912-L915 PolarHBondContact O-N 3.09Å; L913-L915 PolarHBondContact O-N 3.46Å
916S51.4Low50.5Low36 Ų36123.9 Ų123.925%0.25266%0.658SS.*SBendtrans-109.2127.8169.570.30000109.5Q912 L913 N918Q912-S916 WeakPolarHBondContact O-CB 3.39Å; Q912-S916 PolarHBondContact O-N 3.19Å; Q912-S916 PolarHBondContact O-OG 3.08Å; L913-S916 PolarHBondContact O-N 3.12Å; L913-S916 VanDerWaalsContact O-N 3.12Å; L913-S916 PolarHBondContact O-OG 3.42Å; L913-S916 VanDerWaalsContact O-OG 3.08Å; S916-N918 PolarHBondContact O-N 3.48Å
917D55.3Low50.4Low168 Ų168125.5 Ų125.590%0.89866%0.655SS**THydrogen-bonded Turntrans-70.317.7-179.6-55.8-61.7000113.9
918N53.8Low49.3Very low137 Ų137129.5 Ų129.573%0.73367%0.665SS**THydrogen-bonded Turntrans-93.3-11.5-178.3-78.7-35.6000114.1S916 L920S916-N918 PolarHBondContact O-N 3.48Å; N918-L920 PolarHBondContact O-N 2.96Å; N918-L920 VanDerWaalsContact O-N 3.11Å
919C43.7Very low47.9Very low82 Ų82134.1 Ų134.155%0.55468%0.684SS**THydrogen-bonded Turntrans-75.89.4-177.2-71.50000115.4
920L44.5Very low46.3Very low169 Ų169133.7 Ų133.789%0.88570%0.697SS**THydrogen-bonded Turntrans-13756.5170.1-77178.4000112.5N918N918-L920 PolarHBondContact O-N 2.96Å; N918-L920 VanDerWaalsContact O-N 3.11Å
921K48.8Very low45Very low154 Ų154134.1 Ų134.167%0.6771%0.706SS**SBendtrans-138.114.8165.9-143.4165-176.6173.60118.5
922E42.7Very low43.4Very low176 Ų176133.3 Ų133.382%0.82272%0.717SS**SBendtrans-137118.6149.1-80.3-179.412700105.3
923L41.7Very low42.4Very low170 Ų170133.1 Ų133.189%0.8973%0.727SS**SBendcis-119.1110.832-61.1163.5000113.4
924S40.8Very low40.8Very low118 Ų118133.3 Ų133.383%0.82574%0.735SS**SBendtrans173.250.4145.544.60000115.1
925Q30.4Very low39.3Very low113 Ų113133.6 Ų133.653%0.52874%0.736SS.*  trans-147.3142.9154.2-75.6-143.7125.800108.1
926Q31.9Very low37.9Very low143 Ų143133.9 Ų133.967%0.66874%0.737SS**  cis-1511752-116.8173.6-89.900110
927P40.7Very low36.9Very low111 Ų111139.5 Ų139.572%0.72176%0.76SS**  trans-103.6160.2-164.239.1-36.7000116.7
928R26.8Very low35.7Very low235 Ų235136.3 Ų136.389%0.88775%0.746SS**  trans-170125.7143-101168.6176.8-171.4-1.5107.3
929Q29Very low34.5Very low193 Ų193136.5 Ų136.590%0.90275%0.753SS**  66.1137.975.8-79.6-1624.200115.9
930G26.7Very low33.9Very low74 Ų74136.4 Ų136.476%0.76377%0.765SS**  trans113.6125.5-168.800000109.4
931P29.3Very low33.3Very low128 Ų128138.4 Ų138.483%0.83177%0.767SS**  cis-118.3173.726.941.3-32.2000116.1
932S29.6Very low32.5Very low115 Ų115135.2 Ų135.280%0.80477%0.769SS**  trans-143141.3152.6-68.50000105.6
933P42Very low31.9Very low119 Ų119135 Ų13577%0.77377%0.774SS**  -136.1-164.17045.9-30.8000111.4
934S27Very low31.4Very low88 Ų88130.9 Ų130.962%0.61577%0.773SS**  cis-161.9133.421.4-1180000113.8
935I28.8Very low30.7Very low145 Ų145132.4 Ų132.474%0.74477%0.772SS**  trans61.9153.1138.8-36.3155.6000120.3
936L31.6Very low30.8Very low138 Ų138133.7 Ų133.772%0.72378%0.781SS**  trans82.2138.3165.5-53.3-178.5000116.8
937Q29.6Very low30.8Very low153 Ų153134.1 Ų134.172%0.71579%0.787SS**  cis-160154.4-13.8-133.7174.5-4.400113.4
938T30.1Very low30.4Very low101 Ų101133.7 Ų133.762%0.6279%0.787SS**  trans39.4121.4146.948.30000123.8
939T30Very low30.5Very low141 Ų141131 Ų13187%0.86578%0.784SS**  50128129.666.80000122.2
940G29.8Very low31.4Very low80 Ų80126.3 Ų126.383%0.82577%0.771SS**  trans-170.9130.3157.400000112.4
941K32.3Very low31.4Very low211 Ų211128.3 Ų128.392%0.91777%0.768SS**  trans-110.9161.6173.3-86.3-177.4175.8177.30110.3
942A31.6Very low31.4Very low87 Ų87130.3 Ų130.372%0.71977%0.766SS**  trans79.5113159.300000119.1
943N29.4Very low31.3Very low171 Ų171130.4 Ų130.491%0.91476%0.758SS**  trans35.9105.1130.6-54.8-1.5000119
944G31.9Very low30.9Very low85 Ų85131.9 Ų131.988%0.87675%0.754SS**  trans-153.1134.6158.800000109.9
945N26.5Very low30.9Very low149 Ų149134 Ų13480%0.79776%0.759SS**  trans-111.4166.5-177.7-173.521.5000110.5
946I32.8Very low31.2Very low140 Ų140134.2 Ų134.272%0.71875%0.754SS**  trans72.8112.2172-42.4168.5000112.1
947L31.7Very low31.2Very low152 Ų152135.2 Ų135.280%0.79676%0.76SS**  -172.1166.778.9-172.155.8000112.2
948S31Very low31.2Very low103 Ų103135 Ų13572%0.7276%0.759SS**  trans56.293.7159.153.50000120.1
949Q28.9Very low31.8Very low178 Ų178136.2 Ų136.283%0.83276%0.76SS**  -70.6171.9129.8-78.2-93.95.400109.8
950P48.8Very low32.1Very low95 Ų95131.2 Ų131.262%0.61773%0.73SS**  cis-126.3-178.6-9.839-23.9000112.7
951T27Very low32.3Very low116 Ų116131.1 Ų131.171%0.71272%0.717SS**  171.9147119.929.30000112.5
952Q29.9Very low32.2Very low169 Ų169129.7 Ų129.779%0.7971%0.706SS**  trans60.3150.7147.9-72.4-176.9-2.200120
953N26.3Very low32.4Very low118 Ų118131 Ų13163%0.63170%0.697SS**  cis-168.8179.1-34.1-128.7-6.5000108.1
954H34.3Very low32.5Very low150 Ų150127.8 Ų127.869%0.69468%0.684SS**  trans68.1104166.5-47.5-53.2000114.6
955N27.6Very low32.6Very low132 Ų132131.8 Ų131.871%0.70668%0.679SS**  60101.881.8-64.5-8.5000111.9
956F34.5Very low32.8Very low150 Ų150126.2 Ų126.266%0.65866%0.657SS**  59.2108.773.2-69.7-65.6000113.1
957L31.8Very low32.6Very low159 Ų159122.7 Ų122.783%0.83265%0.645SS**  trans-122.4141.7140.4-58.8173000105.5
958H30Very low32.7Very low149 Ų149119.6 Ų119.669%0.6963%0.629SS**  cis-150.5143.815.8-151.3-144.1000113.2
959L42.1Very low32.6Very low125 Ų125119.6 Ų119.665%0.65462%0.62SS**  trans69157.9157.7-107.254.3000117.3
960P35.2Very low32.9Very low36 Ų36116.7 Ų116.723%0.23462%0.62CS.*  -139.1175.754.341.2-23.3000118.4V29 A31V29-P960 HydrophobicContact CB-CB 3.79Å; V29-P960 HydrophobicContact CG1-CB 3.54Å; A31-P960 HydrophobicContact CB-CG 3.6Å
961S35.5Very low31.9Very low79 Ų79115.5 Ų115.555%0.55263%0.625SS**  trans-62151161.4177.30000112.3
962W29.1Very low32.3Very low181 Ų181118.1 Ų118.169%0.68663%0.633SS**  trans-131.8118.3161.6-68.176000106.5A31A31-W962 HydrophobicContact CB-CZ2 4.22Å
963H35.8Very low33.3Very low113 Ų113114.9 Ų114.952%0.52363%0.627SS.*  69.5142.272.3-52.6-20.6000111.4
964T32.5Very low33.5Very low105 Ų105115.7 Ų115.764%0.64463%0.631SS**  cis-155.2-169.644.430.10000108.9
965H34.4Very low33.5Very low169 Ų169116.5 Ų116.578%0.78264%0.635SS**  cis-148.8165.912.9-40.6-109.8000107.3
966G29.3Very low33.7Very low32 Ų32117.7 Ų117.733%0.3364%0.64SS.*  cis-157.7-168.1-6.600000108S289S289-G966 CarbonylContact C-O 3.42Å; S289-G966 WeakPolarHBondContact CB-O 3.4Å; S289-G966 CarbonylContact O-C 3.12Å; S289-G966 PolarHBondContact OG-O 3.07Å
967S29.6Very low33.6Very low65 Ų65117.1 Ų117.146%0.45563%0.634SS.*  trans-153.2-170.1-178.666.10000112.4S289 A293S289-S967 CarbonylContact O-C 3.42Å; S289-S967 WeakPolarHBondContact O-CA 3.46Å; S289-S967 PolarHBondContact O-N 2.92Å; A293-S967 WeakPolarHBondContact CA-O 3.43Å; A293-S967 WeakPolarHBondContact CB-O 3.47Å; A293-S967 PolarHBondContact N-O 3.18Å; A293-S967 VanDerWaalsContact N-O 3.1Å
968L32.2Very low34.4Very low88 Ų88115 Ų11546%0.46163%0.629SS.*  trans154.8170.2136.1-80.2175.6000114.2S292 A293 R296S292-L968 PolarHBondContact OG-O 2.88Å; A293-L968 HydrophobicContact CB-CD1 4.47Å; R296-L968 VanDerWaalsContact NH1-CD1 3.33Å
969N30.6Very low34.5Very low102 Ų102112.7 Ų112.755%0.54562%0.621SS.*  trans-13152.6169-66.234.6000118.7S292 R296S292-N969 PolarHBondContact OG-O 3.44Å; R296-N969 PolarHBondContact NH1-ND2 3.26Å; R296-N969 PolarHBondContact NH1-OD1 3.08Å
970S33.9Very low34.6Very low117 Ų117111.5 Ų111.582%0.81862%0.621SS**  cis-175.3175.3-647.40000108.1
971G29.2Very low34.4Very low70 Ų70114.1 Ų114.172%0.72264%0.637SS**  cis-178.2-152.610.400000112.4
972L35.1Very low35.6Very low171 Ų171114.8 Ų114.890%0.89564%0.639SS**  trans-146.1-175.9-175.3-88.8168.3000109.4
973P49.9Very low36.7Very low101 Ų101111.1 Ų111.166%0.65664%0.638SS**  cis-135.3-159.715.838.9-13.7000114
974N31.4Very low36.5Very low135 Ų135114.2 Ų114.272%0.72265%0.653SS**  cis-171135.434-137.5-5000117.5
975H33.3Very low36.3Very low168 Ų168112.5 Ų112.578%0.77866%0.656SS**  trans51.9174.5152.5-90.6-117.5000120.9
976I33.4Very low36Very low156 Ų156111.9 Ų111.980%0.866%0.659SS**  cis-136.5-162.42.4-21162.6000111.5
977R31.6Very low36Very low139 Ų139117.7 Ų117.753%0.52568%0.682SS.*  trans-151.2178.8166.2-139.4-161.6-67.9150.6-7110S852 L853S852-R977 VanDerWaalsContact CB-NH2 3.28Å; S852-R977 PolarHBondContact O-NE 3.43Å; S852-R977 PolarHBondContact O-NH1 3.23Å; S852-R977 PolarHBondContact O-NH2 3.25Å; S852-R977 PolarHBondContact OG-NH2 2.95Å; L853-R977 PolarHBondContact O-NH1 3.39Å
978P48.8Very low37.1Very low113 Ų113119.8 Ų119.873%0.73470%0.695SS**  -145.8-123.857.441.8-18.1000115.6
979L31Very low36.9Very low101 Ų101123.5 Ų123.553%0.52971%0.713SS.*  trans-151.7172.4-173.3-158.376.3000109.9N854 T981N854-L979 WeakPolarHBondContact O-CB 3.4Å; L979-T981 HydrophobicContact CD2-CG2 4.05Å
980P44.3Very low36.9Very low100 Ų100129.6 Ų129.665%0.64973%0.728SS**  -150.3-172.295.938.7-18.8000116.5
981T32.2Very low37.1Very low92 Ų92130.3 Ų130.356%0.56473%0.73SS**  trans-133.3-159.5-177.157.50000110.1L979L979-T981 HydrophobicContact CD2-CG2 4.05Å
982P60Low37.1Very low92 Ų92131.4 Ų131.460%0.59773%0.733SS**  cis-120.8-135.4-17.142.5-23.1000109.8
983P51.9Low36.7Very low104 Ų104127.7 Ų127.768%0.67572%0.721SS**  cis-118-142.8-31.133.7-10.1000110.3
984E32Very low35.6Very low179 Ų179134.1 Ų134.184%0.83673%0.732SS**  cis-158.9-156.2-8.2-146.4155.2-81.900110.2
985G28.2Very low35.6Very low69 Ų69134.5 Ų134.571%0.71173%0.733SS**  trans162.14.1163.500000126.9
986N28.8Very low35.2Very low156 Ų156137.5 Ų137.583%0.83474%0.737SS**  trans59.9157.7168.8-77.2-28.4000123.3
987N28.5Very low35.1Very low153 Ų153136.9 Ų136.982%0.81873%0.731SS**  trans-112.2-156.4-179.7-54.7-81.9000109.6
988P52Low35.6Very low110 Ų110136 Ų13671%0.71474%0.744SS**  cis-144.2-175.9-8.941.6-20.7000118.2
989I29.1Very low34.8Very low165 Ų165136.5 Ų136.585%0.84674%0.744SS**  trans83.8151.1143.6-82.7161.2000122.6
990R30.3Very low35.9Very low231 Ų231136.3 Ų136.387%0.87275%0.749SS**  trans-104.4169.1-179-98.4-174-169.7-1805.1110.1
991P38.7Very low35.1Very low132 Ų132143.4 Ų143.486%0.85776%0.763SS**  cis-146.6-15645.340.7-17.1000115.3
992A29.7Very low36.1Very low93 Ų93143.8 Ų143.877%0.76977%0.767SS**  trans-128.5162.2-168.600000113.7
993S25.6Very low34.8Very low93 Ų93143.5 Ų143.565%0.6577%0.772SS**  trans-173.6138.3153.3-85.70000114.4
994W26.7Very low33.6Very low235 Ų235144.7 Ų144.789%0.8978%0.778SS**  trans67.8159.8148.1-55.1-16.8000118.4
995I30.6Very low33.5Very low144 Ų144145 Ų14574%0.73878%0.779SS**  cis-155.9162.71.4-131.6161.2000111.9
996R26.4Very low33.5Very low230 Ų230150.4 Ų150.487%0.86878%0.783SS**  trans137.1151137-151.1167.8-111-95.76.7116.4
997Q30.3Very low33.4Very low143 Ų143152.9 Ų152.967%0.66878%0.781SS**  trans-134.4162.2-169.2-98.8-89-2.300109.4
998P43.3Very low33.3Very low122 Ų122153.8 Ų153.879%0.79278%0.78SS**  -154.4158.69738.8-19.5000119.1
999V30.8Very low32.8Very low122 Ų122153.8 Ų153.874%0.73978%0.78SS**  trans-157.1178.8167.7-790000108.2
1000P55.1Low34Very low98 Ų98151.2 Ų151.264%0.63677%0.774SS**  cis-131.7-167.4-0.245.6-29.4000114.3
1001W27.8Very low34Very low249 Ų249145.8 Ų145.894%0.94377%0.767SS**  trans-156.3158.5146.5-80.5125.4000111.4
1002P51.7Low33.6Very low100 Ų100146.6 Ų146.665%0.64976%0.763SS**  trans-145.8-169.1-13544.1-23.5000118.5
1003A32.6Very low33.6Very low86 Ų86149.5 Ų149.571%0.71176%0.764SS**  trans78.1152149.200000119.6
1004T28.2Very low33.7Very low128 Ų128152.5 Ų152.579%0.78577%0.765SS**  cis-165.8167.8-1824.70000111
1005Q29.2Very low33.8Very low187 Ų187149 Ų14987%0.87476%0.759SS**  trans108.3157.3158.4-60.2-172.71400117.5
1006K28.4Very low33.7Very low181 Ų181149.7 Ų149.779%0.78776%0.759SS**  -168.5135.8-56.3-140.3-174.7179.1177.50110.9
1007R26.9Very low34.4Very low208 Ų208144.3 Ų144.379%0.78575%0.754SS**  trans70.6103.2146.2-161.7177.7-123172.6-3.1122.2
1008E26.5Very low34.1Very low173 Ų173144.4 Ų144.481%0.80875%0.754SS**  31.4161.1115-82.2-169.8126.900124.3
1009P41.6Very low33.3Very low109 Ų109143.1 Ų143.171%0.70875%0.748SS**  cis-133.9-127.1-14.434.7-8.6000115
1010P53.2Low34.5Very low111 Ų111142.3 Ų142.372%0.72175%0.745SS**  -137.5-154.7-127.943.6-19.5000118.1
1011T31.7Very low33.2Very low117 Ų117144.4 Ų144.472%0.71875%0.75SS**  trans110.6125.5142.73.20000124.3
1012L30Very low33Very low149 Ų149143.5 Ų143.578%0.7875%0.746SS**  trans89.3158.9132.6-134.2128.6000123.6
1013I28.5Very low32Very low154 Ų154149.7 Ų149.779%0.7976%0.757SS**  trans100.2134.5164-58.5172.9000116.9
1014K28.5Very low31.6Very low157 Ų157150.6 Ų150.668%0.68376%0.758SS**  cis-172139.1-31.3-155.7-161.5-172.1-151.90111.9
1015Q28.6Very low31.5Very low161 Ų161149.4 Ų149.475%0.75276%0.755SS**  trans63.9152.8149.5-92.1174.5-26.900124.8
1016E29.1Very low31.5Very low158 Ų158148.5 Ų148.574%0.73875%0.751SS**  trans-98.3172.2170.9-160.6-151.3122.900110.5E1018E1016-E1018 PolarHBondContact OE1-N 3.16Å
1017P40.7Very low31.6Very low117 Ų117146.5 Ų146.576%0.7674%0.744SS**  -159.1149.199.940.7-20.9000119.5
1018E24.2Very low31.8Very low145 Ų145143.7 Ų143.768%0.67875%0.745SS**  64.591.7120.9-157.468.1-101.100123.3E1016E1016-E1018 PolarHBondContact OE1-N 3.16Å
1019S25.8Very low32.2Very low95 Ų95141.5 Ų141.566%0.66474%0.738SS**  56.3-172.5127.786.70000122.7
1020P56.2Low31.7Very low105 Ų105139.6 Ų139.668%0.68274%0.739SS**  -138.7-164.2-121.236.1-9.5000118.9
1021I27.7Very low30.9Very low143 Ų143141.7 Ų141.773%0.73374%0.741SS**  trans93.3123.3158.3-57.4157000120.1
1022R23.9Very low31.2Very low229 Ų229142.6 Ų142.686%0.86474%0.741SS**  trans164.9120.8130.5-175.1174.1-61.5-166.51109.4
1023W29.9Very low31.7Very low230 Ų230143.8 Ų143.887%0.87174%0.743SS**  cis87150.641.3-82.779.5000116.8
1024S25.1Very low31.8Very low106 Ų106139.6 Ų139.674%0.74174%0.737SS**  trans86.7141.4-175.974.80000117.3
1025S26.4Very low32Very low102 Ų102138.3 Ų138.371%0.71375%0.747SS**  cis-166.8171.4-16.6-103.70000113.2
1026Q29.2Very low32.3Very low169 Ų169139.2 Ų139.279%0.7975%0.751SS**  trans86.5111.8154-138.8168.510.800117
1027E29.7Very low32.7Very low139 Ų139136.5 Ų136.565%0.6575%0.75SS**  cis104.9107.124.4-68.3157.6-164.900113.6
1028N30.5Very low32.2Very low148 Ų148137.5 Ų137.579%0.79175%0.749SS**  trans175.895.2148.2-106.6-105.6000105.1
1029D35.3Very low33.3Very low127 Ų127136.9 Ų136.968%0.67976%0.757SS**  68.5124.371.1-55.8-33.2000112.2
1030G32.3Very low34Very low70 Ų70138.8 Ų138.872%0.72276%0.76SS**  cis-164.6-166.8-4.500000108.7
1031M36.4Very low33Very low155 Ų155138.8 Ų138.876%0.76476%0.762SS**  cis-176.5156.9-11.8-126.473.7178.100105.1
1032D37.3Very low33.7Very low135 Ų135136.8 Ų136.872%0.72276%0.759SS**  cis-150.7-148.6-15.4-140.9-30.6000105.7
1033E40.2Very low35Very low175 Ų175135.9 Ų135.982%0.81876%0.755SS**  cis-151.2132.52.5-171.5-164.3123.200108.9
1034G30.6Very low36.1Very low65 Ų65130.2 Ų130.267%0.6774%0.742SS**  trans68.1161.6162.400000118
1035C33.5Very low37.5Very low131 Ų131129.1 Ų129.189%0.88573%0.734SS**  cis-143.5170.9-6.9-89.90000109.9
1036E33.8Very low38.8Very low180 Ų180135.5 Ų135.584%0.84174%0.742SS**  trans-83.3166.7-161.2-47.1-174.7127.400117.2
1037S39Very low40Very low101 Ų101131.6 Ų131.671%0.70673%0.734SS**  trans59104139.6-66.40000120.9
1038N29.2Very low41.4Very low138 Ų138127.8 Ų127.874%0.73872%0.718SS**  -159.2127.6122.2-125.5-48.8000112.8D1040N1038-D1040 VanDerWaalsContact C-N 3.27Å; N1038-D1040 PolarHBondContact O-N 2.86Å
1039P46.7Very low43.4Very low131 Ų131125.4 Ų125.485%0.85171%0.71SS**  trans-82.53.4177.834-36.1000114.3
1040D42.1Very low45.2Very low136 Ų136125 Ų12573%0.72771%0.707SS**  trans-111.253.7-163.6-155.711.9000114.4N1038N1038-D1040 VanDerWaalsContact C-N 3.27Å; N1038-D1040 PolarHBondContact O-N 2.86Å
1041S34.6Very low47Very low104 Ų104125.3 Ų125.373%0.72769%0.692SS**  trans-102.1111.7166.3-77.90000110.3R1043S1041-R1043 PolarHBondContact O-N 3.26Å
1042P42.2Very low49Very low102 Ų102123.6 Ų123.666%0.66268%0.677SS**  trans-65.5124.5-178.325.7-33.6000110.5L1044P1042-L1044 PolarHBondContact O-N 3.02Å
1043R51.2Low50.8Low209 Ų209125.2 Ų125.279%0.78968%0.675SS**  trans-62.3101-178.7-65.2-175.7-178.3-170.50.7110.6S1041 S1045 R1046S1041-R1043 PolarHBondContact O-N 3.26Å; R1043-S1045 PolarHBondContact O-N 3.19Å; R1043-R1046 PolarHBondContact O-N 3.39Å
1044L53.3Low52.6Low112 Ų112122.9 Ų122.959%0.58667%0.665SS**Hα-helixtrans-53.2-19.7-178.1-70.2169.3000114.3P1042 R1046P1042-L1044 PolarHBondContact O-N 3.02Å; L1044-R1046 PolarHBondContact O-N 3.33Å
1045S53.8Low54.8Low83 Ų83126.6 Ų126.658%0.5867%0.669SS**Hα-helixtrans-69.1-4.7174.256.10000115.7R1043R1043-S1045 PolarHBondContact O-N 3.19Å
1046R54.4Low56.5Low236 Ų236126.5 Ų126.589%0.89166%0.655SS**Hα-helixtrans-117.3-25176.8-81.3-173168.5178.4-3.9115.9R1043 L1044R1043-R1046 PolarHBondContact O-N 3.39Å; L1044-R1046 PolarHBondContact O-N 3.33Å
1047S54.7Low57.6Low87 Ų87125.9 Ų125.961%0.60865%0.65SS**Hα-helixtrans-96.6-22.3-174.551.60000114.5
1048N59Low57.9Low58 Ų58127.5 Ų127.531%0.3168%0.683SS.*  trans-139.492.3-176.5-166.2-29000112.4I1050 L1051 Y1052N1048-I1050 PolarHBondContact O-N 3.38Å; N1048-I1050 WeakPolarHBondContact OD1-CB 3.36Å; N1048-I1050 PolarHBondContact OD1-N 3.39Å; N1048-I1050 VanDerWaalsContact OD1-N 3.17Å; N1048-L1051 HydrophobicContact CB-CB 4.28Å; N1048-L1051 HydrophobicContact CB-CD1 4.16Å; N1048-L1051 HydrophobicContact CB-CG 4.49Å; N1048-L1051 PolarHBondContact O-N 2.93Å; N1048-L1051 PolarHBondContact OD1-N 3.41Å; N1048-Y1052 PolarHBondContact O-N 3.35Å
1049P71.9Confident59.4Low99 Ų99127 Ų12764%0.64368%0.68SS**Hα-helixtrans-67.3-20.7-17927.8-34.8000113.2Y1053P1049-Y1053 WeakPolarHBondContact O-CB 3.23Å; P1049-Y1053 PolarHBondContact O-N 3.06Å
1050I73.4Confident60.1Low119 Ų119126.7 Ų126.761%0.6167%0.671SS**Hα-helixtrans-71.1-47.2178.6-56.5174.8000109.8N1048 Y1052 Y1053 M1054N1048-I1050 PolarHBondContact O-N 3.38Å; N1048-I1050 WeakPolarHBondContact OD1-CB 3.36Å; N1048-I1050 PolarHBondContact OD1-N 3.39Å; N1048-I1050 VanDerWaalsContact OD1-N 3.17Å; I1050-Y1052 VanDerWaalsContact C-N 3.32Å; I1050-Y1052 PolarHBondContact O-N 3.32Å; I1050-Y1053 PolarHBondContact O-N 3.49Å; I1050-M1054 HydrophobicContact CG2-SD 4.12Å; I1050-M1054 WeakPolarHBondContact O-CG 3.44Å; I1050-M1054 PolarHBondContact O-N 3.04Å
1051L70.9Confident61Low75 Ų75126.2 Ų126.239%0.39367%0.668SS.*Hα-helixtrans-59.3-42.6174.2-82.5173.1000111.8N1048 Y1053 M1054 L1055N1048-L1051 HydrophobicContact CB-CB 4.28Å; N1048-L1051 HydrophobicContact CB-CD1 4.16Å; N1048-L1051 HydrophobicContact CB-CG 4.49Å; N1048-L1051 PolarHBondContact O-N 2.93Å; N1048-L1051 PolarHBondContact OD1-N 3.41Å; L1051-Y1053 VanDerWaalsContact C-N 3.35Å; L1051-Y1053 PolarHBondContact O-N 3.44Å; L1051-M1054 PolarHBondContact O-N 3.25Å; L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 VanDerWaalsContact O-CG 3.32Å; L1051-L1055 WeakPolarHBondContact O-CG 3.37Å; L1051-L1055 PolarHBondContact O-N 2.91Å
1052Y77.3Confident62.6Low119 Ų119127.5 Ų127.547%0.46766%0.664SS.*Hα-helixtrans-59.7-44175.4-176.8-102.4000112.1N1048 I1050 L1055 Q1056N1048-Y1052 PolarHBondContact O-N 3.35Å; I1050-Y1052 VanDerWaalsContact C-N 3.32Å; I1050-Y1052 PolarHBondContact O-N 3.32Å; Y1052-L1055 PolarHBondContact O-N 2.88Å; Y1052-Q1056 PolarHBondContact O-N 3.36Å; Y1052-Q1056 VanDerWaalsContact O-N 3.12Å; Y1052-Q1056 PolarHBondContact OH-OE1 3.27Å
1053Y76.2Confident63.9Low169 Ų169129.1 Ų129.166%0.66366%0.664SS**Hα-helixtrans-68.1-35.4179.3-132.1-92.6000113.1P1049 I1050 L1051 K1057P1049-Y1053 WeakPolarHBondContact O-CB 3.23Å; P1049-Y1053 PolarHBondContact O-N 3.06Å; I1050-Y1053 PolarHBondContact O-N 3.49Å; L1051-Y1053 VanDerWaalsContact C-N 3.35Å; L1051-Y1053 PolarHBondContact O-N 3.44Å; Y1053-K1057 WeakPolarHBondContact O-CB 3.33Å; Y1053-K1057 PolarHBondContact O-N 2.91Å
1054M76.9Confident64.7Low126 Ų126123.8 Ų123.862%0.62166%0.656SS**Hα-helixtrans-68.5-47.2174.7-70175.468.400111.4I1050 L1051 Q1056 K1057 G1058I1050-M1054 HydrophobicContact CG2-SD 4.12Å; I1050-M1054 WeakPolarHBondContact O-CG 3.44Å; I1050-M1054 PolarHBondContact O-N 3.04Å; L1051-M1054 PolarHBondContact O-N 3.25Å; M1054-Q1056 PolarHBondContact O-N 3.42Å; M1054-K1057 PolarHBondContact O-N 3.47Å; M1054-G1058 PolarHBondContact O-N 3.41Å; M1054-G1058 VanDerWaalsContact O-N 3.08Å
1055L76.1Confident65.5Low144 Ų144124.6 Ų124.675%0.75466%0.661SS**Hα-helixtrans-67.1-20.2-179.6-72.2166.2000113.8L1051 Y1052L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 VanDerWaalsContact O-CG 3.32Å; L1051-L1055 WeakPolarHBondContact O-CG 3.37Å; L1051-L1055 PolarHBondContact O-N 2.91Å; Y1052-L1055 PolarHBondContact O-N 2.88Å
1056Q70.9Confident66.5Low128 Ų128127.8 Ų127.860%0.59867%0.667SS**THydrogen-bonded Turntrans-97.96.9174-156.4168.832.100113.6Y1052 M1054Y1052-Q1056 PolarHBondContact O-N 3.36Å; Y1052-Q1056 VanDerWaalsContact O-N 3.12Å; Y1052-Q1056 PolarHBondContact OH-OE1 3.27Å; M1054-Q1056 PolarHBondContact O-N 3.42Å
1057K57.1Low67.5Low167 Ų167118.8 Ų118.873%0.72665%0.649SS**THydrogen-bonded Turntrans-132.20.5178.9-73.8-63-174.3-1750115.7Y1053 M1054Y1053-K1057 WeakPolarHBondContact O-CB 3.33Å; Y1053-K1057 PolarHBondContact O-N 2.91Å; M1054-K1057 PolarHBondContact O-N 3.47Å
1058G45.3Very low68.6Low135 Ų135121.7 Ų121.7100%1.39265%0.652SS**  trans-710159.600000111.8M1054M1054-G1058 PolarHBondContact O-N 3.41Å; M1054-G1058 VanDerWaalsContact O-N 3.08Å

Retrieved 1,058 of 1,058 residues in 189.1 ms (Link to these results)