A0A096MY85_PAPAN Loading...

Sin3A associated protein 130

AlphaFold DB , UniProt , Accession A0A096MY85, Species PAPAN (Papio anubis, Olive baboon), Gene SAP130, Length 1,083 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.7Very low36.3Very low249 Ų249145.1 Ų145.1100%1.22783%0.83SS**  0101.70-59.7-63.3-95.900107.6
2G32.6Very low36.2Very low67 Ų67145.5 Ų145.569%0.69183%0.826SS**  cis143.5113.4700000108
3P54Low35.8Very low113 Ų113148.2 Ų148.273%0.73483%0.828SS**  trans-80.8162.1-164.933.7-37.6000113.3
4P40.8Very low35.6Very low122 Ų122143.6 Ų143.679%0.79282%0.818SS**  -120.3137.9104-1.722.2000111.1
5R34Very low35.2Very low224 Ų224139.3 Ų139.385%0.84582%0.818SS**  86.712150.1-78-175.2169-173.3-2.8114.3
6H41.4Very low35Very low180 Ų180135.6 Ų135.683%0.83382%0.818SS**  trans-61.4153.1153.6-107.2-66.5000111.1
7P37.1Very low34.9Very low107 Ų107133.8 Ų133.870%0.69582%0.821SS**  -113.7166.6103.234.2-35.2000111.6
8Q26.8Very low34.7Very low177 Ų177131.3 Ų131.383%0.82783%0.827SS**  cis103.1112.68.6-168.1176.95.200116.7
9A31.3Very low34.6Very low104 Ų104128.9 Ų128.986%0.8683%0.83SS**  trans65.5147.7155.100000121.2
10G30.1Very low34.5Very low79 Ų79126.3 Ų126.381%0.81483%0.828SS**  trans158.9123174.800000112.2
11E29.5Very low34.3Very low174 Ų174132.8 Ų132.881%0.81384%0.835SS**  trans-97.2158-167-77.9170.683.600115.5
12L35.3Very low33.9Very low150 Ų150131.3 Ų131.379%0.78582%0.816SS**  trans45.2160.1136.4-54.4171.4000120.3
13E30.8Very low33.9Very low181 Ų181134 Ų13485%0.84681%0.814SS**  cis-147.6-160.510.7-149.8-149.393.200112.2
14A32.8Very low32.7Very low83 Ų83136.7 Ų136.769%0.68682%0.817SS**  trans-76.9159-154.400000120.6
15G30.5Very low32.3Very low80 Ų80136.5 Ų136.583%0.82581%0.813SS**  109.7147122.200000120.7
16G31.3Very low32.2Very low79 Ų79133.6 Ų133.681%0.81481%0.809SS**  trans11242.2140.900000122.3
17A33Very low31.6Very low106 Ų106132.8 Ų132.888%0.87681%0.807SS**  trans20.6119.9152.600000122.9
18G32.1Very low31.4Very low89 Ų89132.7 Ų132.792%0.91881%0.809SS**  trans102.3143.7133.500000119.2
19G32.1Very low31.7Very low86 Ų86129 Ų12989%0.88780%0.803SS**  trans161.2-53.7165.100000117.3
20G32Very low32Very low76 Ų76131.7 Ų131.778%0.78480%0.798SS**  trans79151.9175.300000117.2
21R31Very low32Very low263 Ų263136 Ų13699%0.99280%0.797SS**  trans-166178162.4-109.4170.5-168.3-1422109.5
22R34Very low32.3Very low218 Ų218136.8 Ų136.882%0.82380%0.798SS**  trans-115.4150.1-173.8-162.2-163.2-177.8-136.23111
23L32.7Very low32.8Very low123 Ų123135.3 Ų135.364%0.64480%0.797SS**  trans93.1132.8161.9-58.6176.8000119.8
24Q29.1Very low33Very low170 Ų170136.5 Ų136.579%0.79479%0.794SS**  trans85.2120.8141.4-79.5175.6-27.200123.4
25V30.9Very low33Very low118 Ų118139.6 Ų139.672%0.71580%0.798SS**  trans84101.8133.6179.20000120.8
26E32.8Very low32.7Very low162 Ų162139.2 Ų139.276%0.75780%0.795SS**  trans66.4142135.3-83.8-178.5100.600127.6
27M29Very low32.6Very low163 Ų163140 Ų14080%0.80379%0.793SS**  trans75.6109143.2-77-147.4-7200124.6
28S31.8Very low33.3Very low105 Ų105140.8 Ų140.873%0.73479%0.79SS**  104.4122.7117.2-1540000123.2
29S34.1Very low33Very low100 Ų100141.3 Ų141.370%0.69978%0.779SS**  trans81.7116139.1-65.70000126.1
30Q37.4Very low32.8Very low161 Ų161143.8 Ų143.875%0.75278%0.777SS**  trans65.8157.4133.2-58.3-79.932.800119.6
31Q30.5Very low32.5Very low169 Ų169143.1 Ų143.179%0.7977%0.77SS**  cis-151.4177.97.2-144.6166.14.300113.2
32F35.6Very low32.4Very low191 Ų191138.8 Ų138.884%0.83877%0.765SS**  trans-123.7157.1179.7-98.1-78.7000112.1
33P44.6Very low31.9Very low118 Ų118132.5 Ų132.577%0.76676%0.755SS**  -142.8162.29231.8-11.8000113.9
34R35.5Very low31.6Very low207 Ų207135.8 Ų135.878%0.78177%0.767SS**  cis70.914346.7-78.4-170.5173.5-1092.3114
35L32.9Very low31.5Very low148 Ų148131.8 Ų131.878%0.77576%0.763SS**  cis-160167.710.7-130.1172.9000111.3
36G24.9Very low31.8Very low72 Ų72131.8 Ų131.874%0.74277%0.766SS**  trans168.8127.7165.300000117.1
37A28.6Very low31.4Very low96 Ų96129.4 Ų129.479%0.79377%0.767SS**  trans-169.4-178.3174.100000108.6
38P47.9Very low31.2Very low122 Ų122129.7 Ų129.779%0.79277%0.766SS**  cis-133.9-167.5-6.943.1-25.4000114.2
39S26Very low30.9Very low99 Ų99131.7 Ų131.769%0.69277%0.767SS**  138.7110.9129.4-1610000118
40T27.7Very low30.4Very low139 Ų139130.7 Ų130.785%0.85377%0.765SS**  39.8127.7128-240000123.6
41G25.5Very low29.9Very low61 Ų61129.9 Ų129.963%0.62977%0.766SS**  trans146.7121.6133.300000119.9
42L27.9Very low29.7Very low172 Ų172127.5 Ų127.590%0.90177%0.768SS**  trans65.4161146.6-56.6166.6000117.5
43S24Very low29.3Very low86 Ų86122.2 Ų122.260%0.60177%0.767SS**  cis-162.7157.4-22.5-113.10000112.3
44Q27Very low28.6Very low192 Ų192123.6 Ų123.690%0.89777%0.774SS**  trans62.7159.3147.6-70.4177.5-11.400122
45A26.3Very low28.2Very low87 Ų87118.4 Ų118.472%0.71978%0.775SS**  trans-131.6154.3167.800000109.5
46P36.7Very low28Very low118 Ų118114.9 Ų114.977%0.76677%0.774SS**  trans-122.8153.4138.71.322.2000110
47S25.9Very low28.2Very low112 Ų112119.2 Ų119.278%0.78378%0.78SS**  59.9134.655.3-53.20000112.2
48Q25.1Very low28.3Very low168 Ų168122.6 Ų122.679%0.78578%0.783SS**  cis176.5169.2-15.6-134.2-172.516.600104.7
49I24.3Very low27.3Very low147 Ų147124.1 Ų124.175%0.75478%0.784SS**  trans80.9108.6153.7-67.5161.6000120.3
50A24.8Very low28.2Very low79 Ų79124.4 Ų124.465%0.65378%0.783SS**  trans86.2127.313000000125.8
51N25.5Very low28.3Very low145 Ų145122.6 Ų122.678%0.77578%0.783SS**  trans78.9102130.6-67.813000123.8
52S28Very low28.3Very low119 Ų119123.9 Ų123.983%0.83279%0.787SS**  73109115.9-540000121.2
53G27.2Very low28.3Very low79 Ų79121.5 Ų121.581%0.81478%0.78SS**  trans-166.4114.2161.700000112.5
54T28.8Very low28.5Very low148 Ų148123.7 Ų123.791%0.90879%0.79SS**  trans-67.7161.717760000112.6
55A28.2Very low28.4Very low98 Ų98121.3 Ų121.381%0.8178%0.783SS**  cis-156.5171.64.600000110.4
56G27.9Very low28.3Very low73 Ų73123.7 Ų123.775%0.75378%0.784SS**  trans171.150.8171.900000123
57L28.8Very low27.8Very low164 Ų164126.7 Ų126.786%0.85979%0.787SS**  trans63.3165.6156.4-101.175.9000122.1
58I30Very low27.9Very low167 Ų167125.7 Ų125.786%0.85678%0.781SS**  trans63.5152.4167.556.2174.1000120.4
59N28.3Very low28Very low154 Ų154120.4 Ų120.482%0.82477%0.771SS**  trans-163.6174.5-145.5-157.433.3000108.9
60P45.4Very low28.3Very low104 Ų104124.3 Ų124.368%0.67578%0.776SS**  cis-118.7-174.3-40.235.3-20000112.3
61A28.2Very low28.3Very low102 Ų102127.5 Ų127.584%0.84378%0.783SS**  164.971.8122.900000115.1
62A27.1Very low28.5Very low88 Ų88125.1 Ų125.173%0.72778%0.777SS**  trans-164.9141.1167.700000106
63T27.7Very low28.4Very low122 Ų122127.6 Ų127.675%0.74878%0.776SS**  cis-178.3-177.23417.30000108.9
64V27.5Very low28.5Very low132 Ų132130.3 Ų130.380%0.878%0.776SS**  trans62.2128.7148.4-73.80000123.8
65N25.6Very low28.3Very low141 Ų141126.6 Ų126.675%0.75477%0.767SS**  66.3104.3119.8-162.294.1000123.2
66D24.1Very low28.3Very low138 Ų138126.9 Ų126.974%0.73877%0.769SS**  71.6150.4127.5-145.1-160.5000123.2
67E26Very low28.2Very low180 Ų180133.6 Ų133.684%0.84177%0.772SS**  trans62.2157.1170.7-102.9-158.390.600124.4
68S27.9Very low28.1Very low92 Ų92132 Ų13264%0.64376%0.76SS**  trans-91.7163.4-171.9172.40000111.5
69G26.8Very low27.9Very low57 Ų57132 Ų13259%0.58876%0.756SS**  cis139.3156.6-2.700000112.6
70R30.9Very low27.8Very low228 Ų228132.8 Ų132.886%0.8676%0.757SS**  trans77.1155.5-168.8-49.5-170.5-176.591.12.2113.5
71D25.1Very low26.7Very low147 Ų147133.1 Ų133.179%0.78676%0.762SS**  cis-149.9-168.430.2-144-83000114.6
72S29.2Very low26.6Very low95 Ų95133.2 Ų133.266%0.66476%0.757SS**  trans-85.2142.9179.7-85.10000112.9
73E25.7Very low26.5Very low171 Ų171134.2 Ų134.280%0.79976%0.758SS**  74.3142.486.3-145.5-157.7136.900115.9
74V28.9Very low26.3Very low135 Ų135133.7 Ų133.782%0.81876%0.759SS**  trans69.7145177.7-166.10000114.9
75G26.1Very low26.3Very low70 Ų70131.8 Ų131.872%0.72275%0.752SS**  trans-160.3176.9-179.900000113.5
76A26.4Very low26.5Very low104 Ų104132.1 Ų132.186%0.8675%0.753SS**  trans-149.1158.9173.500000110.8
77R27.5Very low26.5Very low214 Ų214133.6 Ų133.681%0.80876%0.755SS**  trans-68.2168.4163.2-71.7161.4144.3-148.411.2109
78E25.3Very low26.5Very low130 Ų130129.1 Ų129.161%0.60774%0.744SS**  cis-170175.633-145.4143.7-126.600112.2
79H27.1Very low26.6Very low168 Ų168134.6 Ų134.678%0.77875%0.751SS**  trans72.4171.4165-72.8-66.8000121
80M25.4Very low26.8Very low170 Ų170137 Ų13784%0.83775%0.747SS**  trans-140.4-176.3-143.7-50.4178.681.600114.5
81S22.6Very low26.7Very low112 Ų112133 Ų13378%0.78374%0.738SS**  trans81.4152.5163.182.50000117.1
82S25.7Very low26.9Very low104 Ų104132.3 Ų132.373%0.72773%0.728SS**  cis-170177.7-16.2-101.70000110.8
83S24.3Very low26.9Very low108 Ų108135.1 Ų135.176%0.75573%0.73SS**  trans67.2145.1172.760.50000117.1
84S25Very low27.1Very low111 Ų111134.4 Ų134.478%0.77673%0.727SS**  cis81.2142.825.594.70000114.2
85S27.1Very low27.7Very low93 Ų93133.6 Ų133.665%0.6572%0.724SS**  cis-168.7166.113.264.10000114.7
86L29.6Very low28Very low148 Ų148136.1 Ų136.178%0.77573%0.725SS**  trans63.1171150.6-66.3165.7000120.4
87Q24.1Very low28.1Very low168 Ų168138 Ų13879%0.78573%0.726SS**  cis-135165.15.1-66176.720.600111.1
88S26.8Very low28.5Very low86 Ų86133.2 Ų133.260%0.60172%0.72SS**  cis113.457.3-784.30000121.5
89R29.1Very low28.7Very low208 Ų208138.5 Ų138.579%0.78574%0.735SS**  trans-153.4147.8163.5-69.6-166.987.2149.42.8111.5
90E31.3Very low29.4Very low108 Ų108136 Ų13651%0.50573%0.734SS.*  cis-152.4-153.9-17-133.1-178.7108.700107.1K92E90-K92 IonicContact OE1-NZ 3.5Å; E90-K92 PolarHBondContact OE1-NZ 3.24Å
91E28.5Very low29.6Very low144 Ų144138.4 Ų138.467%0.67374%0.735SS**  cis-150.7-138.111.8-159.4139.9-176.600113.6
92K28.5Very low30.9Very low132 Ų132138 Ų13857%0.57473%0.73SS**  trans-110.6151.9-157.8-66163.6-170.978.50112.8E90E90-K92 IonicContact OE1-NZ 3.5Å; E90-K92 PolarHBondContact OE1-NZ 3.24Å
93Q30.4Very low30.9Very low154 Ų154141.3 Ų141.372%0.7273%0.733SS**  cis88.3135.636.2-66.7173.1-8800114.3
94E29.2Very low31.1Very low156 Ų156141.4 Ų141.473%0.72973%0.729SS**  cis-150.3-75.90.7-141.1167.887.100120.8
95P41Very low31.2Very low117 Ų117144.3 Ų144.376%0.7673%0.731SS**  -121.9177.5-123.140.4-30.6000121.1
96V33.1Very low31.3Very low123 Ų123146.2 Ų146.275%0.74573%0.731SS**  trans-88.2148.2-170.5171.30000115.3V98V96-V98 HydrophobicContact CG1-CG2 4.28Å
97V29.6Very low31.3Very low145 Ų145145.9 Ų145.988%0.87973%0.729SS**  trans-141.8151.9153.2-177.70000110.7
98V35Very low31.7Very low113 Ų113141.9 Ų141.969%0.68572%0.719SS**  trans-129.1136.9-178.2173.10000111.7V96V96-V98 HydrophobicContact CG1-CG2 4.28Å
99R29.6Very low31.8Very low240 Ų240143.9 Ų143.991%0.90673%0.729SS**  trans-179.8170.4145.5-102.7-178.6-174.2101.8-1.2113.2
100P41.4Very low32.1Very low116 Ų116140.9 Ų140.975%0.75372%0.723SS**  trans-107.1-180-158.541.8-39.2000118.4
101Y30.1Very low32.2Very low221 Ų221144.3 Ų144.387%0.86774%0.739SS**  trans-34.9161.7165.8-81.5-90.6000117.1
102P49.2Very low32.3Very low104 Ų104141.7 Ų141.768%0.67574%0.742SS**  cis-154.8-168.438.447.2-25.9000120.5
103Q25.6Very low32.4Very low172 Ų172142.3 Ų142.380%0.80476%0.756SS**  trans90.4107.3146.1-79.7-172.4-71.700126.4
104V29.6Very low32.6Very low110 Ų110138.9 Ų138.967%0.66775%0.754SS**  trans36.1134.1134.5-119.60000127.3
105Q26.2Very low32.8Very low172 Ų172137 Ų13780%0.80476%0.759SS**  trans-163145.7139.6-154.465.5-32.100107.6
106M29.6Very low32.2Very low134 Ų134135.2 Ų135.266%0.6675%0.754SS**  cis96.4137.517.3-63.7-60.9-177.900115.1
107L29.9Very low32.2Very low141 Ų141135.8 Ų135.874%0.73876%0.757SS**  cis-167.4149.1-4.3175.362.6000113.9
108S31.9Very low33.5Very low83 Ų83134.2 Ų134.258%0.5875%0.75SS**  trans52.7149.9153.3-70.80000126.9
109T28Very low33.1Very low129 Ų129135.1 Ų135.179%0.79176%0.756SS**  -169107.2111.3-73.80000113.7
110H35.6Very low33.3Very low145 Ų145127.9 Ų127.967%0.67175%0.747SS**  trans33.8144.2150.9-58.6-78.9000123.1
111H34.3Very low32.7Very low179 Ų179128.4 Ų128.483%0.82975%0.748SS**  cis-148.7175.231.6-72.4-94.4000110.6
112A31Very low32.6Very low89 Ų89123.9 Ų123.974%0.73674%0.744SS**  cis-165.3-155.5-18.800000106.6
113V31.2Very low31.7Very low145 Ų145123.6 Ų123.688%0.87975%0.75SS**  cis-149.2-109.27.764.40000114.5
114A32.8Very low33.1Very low83 Ų83121.1 Ų121.169%0.68675%0.749SS**  trans-166.3170-159.700000112.9
115S33.2Very low34Very low117 Ų117121.4 Ų121.482%0.81875%0.753SS**  cis-174.7-150.1-24.665.60000111.2
116A29Very low34.3Very low79 Ų79117.2 Ų117.265%0.65375%0.748SS**  trans88.881160.800000124
117T33.3Very low34.3Very low134 Ų134118.8 Ų118.882%0.82275%0.753SS**  55.6154.9122.654.10000124.7
118P57.6Low34.4Very low113 Ų113118.8 Ų118.873%0.73475%0.753SS**  cis-144.3-164.2-49.339.9-18.3000115.8
119V27.1Very low34.3Very low131 Ų131120.4 Ų120.479%0.79476%0.76SS**  trans83.8105.8170.2-1690000116.7
120A32.1Very low35Very low89 Ų89119.8 Ų119.874%0.73676%0.758SS**  89.1133.867.500000114.9
121V30.2Very low34.6Very low127 Ų127117 Ų11777%0.7776%0.76SS**  -174.9139.280.5149.50000114.7
122T26.9Very low34.4Very low126 Ų126114.9 Ų114.977%0.77376%0.759SS**  trans40.3124.1156.262.60000129
123A29.9Very low35Very low97 Ų97115.4 Ų115.480%0.80276%0.755SS**  78.3154.1113.400000126.3
124P54.8Low34.7Very low120 Ų120115.7 Ų115.778%0.77975%0.751SS**  trans-117-171.2-176.748.1-36.2000114
125P49.6Very low34.3Very low117 Ų117116.7 Ų116.776%0.7675%0.753SS**  -158.6-173.77743.4-21.7000118.5
126A32.1Very low33.9Very low84 Ų84120.2 Ų120.269%0.69475%0.754SS**  trans73.9146.1148.600000121.7
127H30.9Very low33.8Very low167 Ų167121.2 Ų121.277%0.77376%0.756SS**  cis-166159.2-20.8-122.7-79.8000112.9
128L30.6Very low33.4Very low141 Ų141123.9 Ų123.974%0.73876%0.759SS**  trans78.3130168.8-45.8-174.1000118.4
129T30.1Very low31.9Very low117 Ų117121.9 Ų121.972%0.71876%0.759SS**  cis88.9147.321.9700000117.1
130P43.5Very low32Very low116 Ų116123.4 Ų123.475%0.75376%0.762SS**  cis-145.9-173.4-28.539.5-19.9000116.4
131A27.6Very low31.9Very low86 Ų86125.9 Ų125.971%0.71176%0.76SS**  trans81.8144.1148.700000120.5
132V28.4Very low31.9Very low135 Ų135128.5 Ų128.582%0.81876%0.761SS**  cis82.5142.213.2-173.80000113.4
133P43.5Very low32.8Very low100 Ų100128.1 Ų128.165%0.64976%0.761SS**  cis-138-176.4-7.236-14.6000117.7
134L25.8Very low33.8Very low150 Ų150128.8 Ų128.879%0.78576%0.757SS**  trans65.9149.5133.4-84164.6000125.8
135S24.2Very low33.3Very low105 Ų105128 Ų12873%0.73475%0.751SS**  trans118148.5133.7-79.30000122
136F24.8Very low32.5Very low190 Ų190131.9 Ų131.983%0.83376%0.756SS**  trans-79.1-179.1172.3-47.2-101.8000110.4
137S27.2Very low33Very low100 Ų100133 Ų13370%0.69976%0.756SS**  cis-151.3159.612.7-360000109.6
138E24Very low33Very low191 Ų191131.5 Ų131.589%0.89376%0.76SS**  64.2125.492.9-160.5176.4-177.600118.2
139G26Very low32.9Very low71 Ų71133 Ų13373%0.73277%0.765SS**  trans82.2171.7170.800000116.3
140L29.5Very low33.6Very low163 Ų163132.4 Ų132.485%0.85376%0.763SS**  cis-176.6144.5-16.6-158.571.2000107.7
141M30.1Very low32.8Very low141 Ų141132.2 Ų132.270%0.69576%0.764SS**  cis-168.7159.6-29.2-170.4-148.7-60.600108.2
142K31.3Very low33.5Very low182 Ų182138.8 Ų138.879%0.79177%0.771SS**  trans72.5161.9160.7-93.5179.8176.6178.50118.3
143P45.6Very low34.1Very low117 Ų117137.4 Ų137.476%0.7677%0.765SS**  -125-119.6-50.729.3-5.9000115.6
144P49.5Very low33.5Very low111 Ų111139.6 Ų139.672%0.72177%0.769SS**  trans-114.1-155.8-138.744.4-24.1000112.9
145P46.1Very low33.7Very low103 Ų103136.6 Ų136.667%0.66977%0.766SS**  cis-143.7164.9-2.741.9-22.5000119.6
146K30.8Very low34.2Very low199 Ų199137.9 Ų137.987%0.86577%0.772SS**  trans61.6-174.5152.6-76.4-179.5178.7-1800116.3
147P43.8Very low34.5Very low107 Ų107133.3 Ų133.370%0.69577%0.769SS**  cis-131.7162.4-8.916.89.5000118.6
148T30.2Very low35.8Very low137 Ų137133.9 Ų133.984%0.8477%0.771SS**  trans66.2147.5133.6-52.80000124.3
149M28.4Very low36.5Very low171 Ų171130.8 Ų130.884%0.84277%0.767SS**  trans-85.7-152.9175.3-51.7-164.174.200111.9
150P44.9Very low36.7Very low105 Ų105132.1 Ų132.168%0.68277%0.765SS**  cis-138.6-165.3-11.131.2-5.2000115.6
151S28Very low36.8Very low112 Ų112130.8 Ų130.878%0.78376%0.764SS**  trans109130.7140.8-61.80000122.6
152R40.3Very low36.7Very low225 Ų225132.2 Ų132.285%0.84977%0.773SS**  trans-49.6170.2150-93.4177.1165.4-143.2-0.7112.9
153P42.8Very low36.5Very low106 Ų106127.9 Ų127.969%0.68877%0.766SS**  cis-158170.144.343.6-21000122
154I29.3Very low35.5Very low146 Ų146130 Ų13075%0.74977%0.771SS**  trans49.4119.2134.8-61.7166.7000122.7
155A31.7Very low35.1Very low87 Ų87130.3 Ų130.372%0.71977%0.773SS**  41.4162.9128.400000123.1
156P33.8Very low34.9Very low132 Ų132131 Ų13186%0.85778%0.777SS**  -136.5-168.271.840.2-24.2000115.1
157A30.3Very low34.7Very low94 Ų94130.9 Ų130.978%0.77778%0.776SS**  trans-137.6-141.4-176.400000114.3
158P55.2Low34.1Very low112 Ų112132 Ų13273%0.72778%0.78SS**  -101.2176.8-124.643.7-33000115.7
159P39.8Very low34.6Very low125 Ų125131.3 Ų131.381%0.81278%0.779SS**  -149.3-163.299.333.5-13.1000113.1
160S28.6Very low34.7Very low99 Ų99125.2 Ų125.269%0.69276%0.76SS**  176.8121-52.8-73.70000108.7
161T31.5Very low33.9Very low136 Ų136127.3 Ų127.383%0.83476%0.76SS**  trans24.1126.2151.956.40000124.2
162L28.9Very low34Very low170 Ų170125 Ų12589%0.8974%0.741SS**  trans-159.4173.2156.5-74.2-176.2000110.7
163S26.3Very low33.4Very low92 Ų92118.7 Ų118.764%0.64373%0.728SS**  -170.7138.4-51.8-91.90000114
164L25.9Very low32.7Very low162 Ų162119.4 Ų119.485%0.84873%0.73SS**  trans60.5145.1158.6-79.879000123.6
165P39.6Very low32.7Very low117 Ų117118.1 Ų118.176%0.7673%0.729SS**  trans-123.1-153.3163.645.8-33.5000111.6
166P43.5Very low32.6Very low116 Ų116121.5 Ų121.575%0.75373%0.732SS**  cis-137.9-152.2-11.744-23.6000114.3
167K26.1Very low32.3Very low198 Ų198122.1 Ų122.186%0.86172%0.724SS**  trans130.9161.7139-154.1156.2-174.1175.20119.2
168V31.8Very low32.2Very low129 Ų129122.2 Ų122.278%0.78272%0.719SS**  trans-148.1150.3-164.7-178.20000115.1
169P39.1Very low30.8Very low124 Ų124122.2 Ų122.281%0.80572%0.721SS**  trans-127-176.4159.741.2-27.4000114.5
170G31.6Very low30.4Very low43 Ų43123.7 Ų123.744%0.44372%0.72SS.*  cis158.3111.9-15.500000118.3Q753G170-Q753 CarbonylContact C-O 3.3Å; G170-Q753 WeakPolarHBondContact CA-O 3.34Å; G170-Q753 PolarHBondContact N-O 2.85Å
171Q28.7Very low31.2Very low148 Ų148123.4 Ų123.469%0.69272%0.716SS**  trans94.686.4146.7-58.2-63.7-17.600125.7A752 Q753Q171-A752 CarbonylContact C-O 2.93Å; Q171-A752 VanDerWaalsContact C-O 3.29Å; Q171-A752 WeakPolarHBondContact CA-O 3.34Å; Q171-A752 PolarHBondContact N-O 2.69Å; Q171-Q753 PolarHBondContact N-O 3.1Å; Q171-Q753 VanDerWaalsContact N-O 3.1Å
172V29.5Very low31.1Very low63 Ų63125.7 Ų125.738%0.38272%0.717SS.*  trans48.4154.4132.2-163.60000125.2A752 Q753V172-A752 PolarHBondContact N-O 2.87Å; V172-Q753 VanDerWaalsContact C-CD 3.48Å; V172-Q753 PolarHBondContact O-OE1 3.01Å
173T27.8Very low31.1Very low94 Ų94121.7 Ų121.758%0.57771%0.709SS**  trans96.6120.8161.4-14.60000119.2Q753T173-Q753 PolarHBondContact O-NE2 3.17Å
174V28.6Very low31.2Very low121 Ų121123 Ų12373%0.73372%0.718SS**  cis68.2143.145-114.40000115.3
175T29.5Very low31.4Very low118 Ų118119.1 Ų119.172%0.72471%0.709SS**  cis-159.3-171.815.9-28.90000111.9
176M29.3Very low30.9Very low158 Ų158121.1 Ų121.178%0.77871%0.712SS**  trans77.9157.8159.1-71.3-44.2-116.200119.5
177E27.1Very low31Very low146 Ų146120.8 Ų120.868%0.68271%0.71SS**  cis-170.1164.5-14.8-175.6-149.196.300110.8
178S27.8Very low31.1Very low96 Ų96117.7 Ų117.767%0.67171%0.707SS**  trans68154.2155.9-83.70000121.1
179S26.5Very low31Very low111 Ų111115.3 Ų115.378%0.77670%0.701SS**  cis-156.8153.8-8.248.90000114.7
180I30.8Very low30.6Very low156 Ų156115.1 Ų115.180%0.870%0.698SS**  trans-62.1163.9167.3-83.8160.5000112
181P45.9Very low30.6Very low93 Ų93120.3 Ų120.360%0.60471%0.714SS**  cis-147.9175.133.623.25.6000121.8
182Q29.7Very low30.8Very low184 Ų184119.2 Ų119.286%0.8672%0.723SS**  trans63.5157139-72.3163.4-22.800122.3
183A28Very low30.8Very low86 Ų86119.7 Ų119.771%0.71174%0.74SS**  cis-169.7146.8-20.300000116
184S28.8Very low31.1Very low119 Ų119122.8 Ų122.883%0.83275%0.748SS**  trans70.1157.4137.9-148.20000124.9
185A30.1Very low31.3Very low81 Ų81125.2 Ų125.267%0.66975%0.752SS**  trans64.4125.9165.300000119
186I29.3Very low31.4Very low159 Ų159122 Ų12282%0.81574%0.742SS**  cis69.4125.730-55.5-177.8000112.9
187P46Very low31.3Very low110 Ų110119.7 Ų119.771%0.71473%0.729SS**  cis-142.5-160.9-8.140.3-19000116.2
188V26.9Very low32.2Very low132 Ų132116.2 Ų116.280%0.872%0.719SS**  trans95.4105.5143.4156.20000121.8
189A30.1Very low32.1Very low79 Ų79116.2 Ų116.265%0.65372%0.719SS**  78.9140.5129.400000126.3
190T30.6Very low32.2Very low120 Ų120117.9 Ų117.974%0.73672%0.719SS**  trans79.7123.814037.20000124.5
191I32.2Very low32.2Very low152 Ų152116.5 Ų116.578%0.77971%0.713SS**  trans81.4115.3135.5-65.4165.4000120.4
192S31.6Very low31.5Very low126 Ų126118.9 Ų118.988%0.88172%0.716SS**  trans55.1140.8143.1-158.50000121.8
193G31.3Very low31.5Very low73 Ų73117.8 Ų117.875%0.75371%0.71SS**  trans152.587.9161.400000117.5
194Q32.3Very low31.7Very low158 Ų158120.3 Ų120.374%0.73871%0.711SS**  trans-11.3132.5161.7-90.9-82.380.200121.5
195Q34.3Very low31.7Very low172 Ų172121.5 Ų121.580%0.80471%0.705SS**  trans41.4114144.7-81.8179.7-49.700121.7
196G30.8Very low31.6Very low51 Ų51124.8 Ų124.853%0.52672%0.716SS.*  trans150.9141.6135.800000119.6
197H27.8Very low31.9Very low109 Ų109121.9 Ų121.951%0.50571%0.706SS.*  trans-161.4136.4173.258.9123.8000115.3A773 V774 A775H197-A773 PolarHBondContact CE1-O 2.82Å; H197-A773 WeakPolarHBondContact NE2-CB 3.32Å; H197-V774 PolarHBondContact N-O 2.97Å; H197-V774 CarbonylContact O-C 3.29Å; H197-V774 WeakPolarHBondContact O-CA 3.01Å; H197-A775 PolarHBondContact O-N 3.1Å
198P44.7Very low31.3Very low73 Ų73123.6 Ų123.647%0.47471%0.709SS.*  trans-146.3161.4141.340.6-26.4000117.4A775P198-A775 WeakPolarHBondContact CG-O 3.33Å
199S27.6Very low31.6Very low96 Ų96122.8 Ų122.867%0.67170%0.704SS**  trans61.4105.4150.158.20000121.6
200N28Very low31.7Very low146 Ų146126.2 Ų126.278%0.78171%0.707SS**  trans69141.7136.8-71.3-52.2000119.6
201L31.3Very low31.5Very low128 Ų128127.6 Ų127.667%0.6771%0.707SS**  cis-163.7176.9-11.1-174.453.9000108.6
202H31.1Very low31.3Very low142 Ų142124 Ų12466%0.65770%0.696SS**  trans78.5116.1172.4-54.2-75.1000114.4
203H29.9Very low31.2Very low162 Ų162125.1 Ų125.175%0.7569%0.69SS**  79.7141.293.1-749.2000113.6
204I31.6Very low31.3Very low139 Ų139127.4 Ų127.471%0.71368%0.684SS**  cis-144.9169.71.9-129163.7000112.8
205M29.1Very low31.2Very low144 Ų144130.9 Ų130.971%0.70969%0.69SS**  trans-50.5155.3178.8-48.1160.485.100114.8T207M205-T207 HydrophobicContact CE-CG2 4.22Å
206T27.5Very low30.8Very low149 Ų149127.9 Ų127.991%0.91469%0.688SS**  -136.1148.5126.624.70000109.9
207T35.2Very low30.5Very low98 Ų98133.4 Ų133.460%0.60171%0.706SS**  trans-127.6145.4-178.352.30000109.7M205M205-T207 HydrophobicContact CE-CG2 4.22Å
208N33.6Very low30.8Very low146 Ų146133 Ų13378%0.78172%0.721SS**  trans-167.8128.9135.8-91.3-24.9000108.5
209V33.8Very low30.6Very low115 Ų115136 Ų13670%0.69774%0.741SS**  75.312663174.10000108.7
210Q31.1Very low30.6Very low152 Ų152135 Ų13571%0.7175%0.745SS**  -164.3167.352.9-150.4176.120.100115.3
211M26.8Very low31.1Very low148 Ų148134.1 Ų134.173%0.72975%0.747SS**  trans71.2146.1145.6-88.5-2.818000121
212S27.9Very low31.6Very low78 Ų78134 Ų13455%0.54575%0.754SS.*  cis-163.8169.5-11.4-142.80000115.4
213I30.7Very low31.3Very low149 Ų149135.4 Ų135.476%0.76477%0.766SS**  trans76.1151.5153.6-76.4161.6000119.9
214I32.1Very low31.4Very low120 Ų120136.1 Ų136.162%0.61577%0.769SS**  -166.5128.3-56.1-113.9168.1000112.8
215R29.9Very low31.2Very low231 Ų231137 Ų13787%0.87277%0.773SS**  trans61.4170.7154.9-60.2177.8178.8-178-1.3117.7
216S25.7Very low31.1Very low109 Ų109133.4 Ų133.476%0.76277%0.773SS**  cis-151.2164.614.552.20000114.7
217N26.2Very low31.3Very low168 Ų168131.4 Ų131.490%0.89877%0.772SS**  trans-114.5146173.7-62.95.4000112.4
218A32.2Very low30.9Very low100 Ų100131 Ų13183%0.82677%0.773SS**  trans-166.3151.6153.300000112.1
219P42.2Very low30.9Very low137 Ų137131.5 Ų131.589%0.8977%0.77SS**  trans-111.8163.1-178.240.1-32.6000115.6
220G26.9Very low30.8Very low73 Ų73132.4 Ų132.475%0.75377%0.771SS**  trans-163.1158.3173.500000115.4
221P37.4Very low31.3Very low129 Ų129131.2 Ų131.284%0.83878%0.776SS**  trans-95176.1-170.639.4-37.6000115
222P41.9Very low31.4Very low124 Ų124135 Ų13581%0.80578%0.782SS**  trans-94.3164.6-158.237.3-37000116.5
223L26Very low31.4Very low173 Ų173135 Ų13591%0.90679%0.794SS**  trans-134163.4172.2-75.7176.8000112.9
224H32Very low31.3Very low177 Ų177132.7 Ų132.782%0.81980%0.798SS**  trans-134.9112.3-164.9167.5-70000112.3
225I27.5Very low31.2Very low157 Ų157131.9 Ų131.981%0.80581%0.809SS**  trans-143.3144.6170.6-64.396.4000105.7
226G25.6Very low31.1Very low68 Ų68125 Ų12570%0.70180%0.802SS**  cis133.5124.67.100000109.2
227A31.8Very low31.3Very low107 Ų107123.8 Ų123.888%0.88480%0.798SS**  trans-107.5152.5-166.600000114.1
228S27.9Very low31.4Very low90 Ų90119.9 Ų119.963%0.62979%0.789SS**  trans-162146.2164.9-161.80000115.4
229H33.4Very low31.3Very low157 Ų157120.8 Ų120.873%0.72778%0.784SS**  trans26.7131.4159.654.827.7000122.6
230L32.2Very low30.5Very low134 Ų134122.4 Ų122.470%0.70278%0.782SS**  72.7156.665.2-101.277.1000114.5R232L230-R232 HydrophobicContact CD2-CB 4.39Å; L230-R232 HydrophobicContact CG-CB 4.46Å
231P40.2Very low30.4Very low127 Ų127123.8 Ų123.883%0.82578%0.78SS**  cis-99.4-153.37.540.4-37.9000114.5
232R29.7Very low30Very low226 Ų226122.3 Ų122.385%0.85377%0.773SS**  158.3107.6-68179.7-173.8166.1134.3-1.4113.3L230L230-R232 HydrophobicContact CD2-CB 4.39Å; L230-R232 HydrophobicContact CG-CB 4.46Å
233G26.9Very low29.3Very low78 Ų78121.5 Ų121.580%0.80477%0.77SS**  trans125.1151.416900000113.9
234A28.7Very low29.5Very low101 Ų101122.6 Ų122.684%0.83577%0.767SS**  cis-162174.3-10.500000110.8
235A30.1Very low29.3Very low103 Ų103120.3 Ų120.385%0.85177%0.766SS**  trans69.1150.917700000117.1
236A28.9Very low29.6Very low88 Ų88118.7 Ų118.773%0.72776%0.763SS**  cis-164.3165.5-22.300000110.2
237A28.7Very low29.9Very low82 Ų82121.6 Ų121.668%0.67877%0.767SS**  trans46.3129.4161.800000120.1
238A29.6Very low29.7Very low86 Ų86123.1 Ų123.171%0.71177%0.765SS**  68.2136.153.900000113.1
239V28.8Very low29.6Very low119 Ų119126 Ų12672%0.72177%0.773SS**  cis-167149.8-3.2100.50000111.5
240M25.6Very low29.7Very low172 Ų172129.3 Ų129.385%0.84778%0.779SS**  trans56.8-177.2160.6-69.3168.667.900118.2
241S26.5Very low29.5Very low101 Ų101128.9 Ų128.971%0.70679%0.785SS**  -172.6142.7-53.7-175.30000109.9
242S27.2Very low28.9Very low99 Ų99129.7 Ų129.769%0.69279%0.787SS**  trans66.9111.1158.7-156.70000121.9
243S29Very low28.9Very low106 Ų106123.4 Ų123.474%0.74178%0.778SS**  72.9134.7129-53.10000124.4
244K28.8Very low29Very low197 Ų197128 Ų12886%0.85778%0.779SS**  trans78109.8159.8-75.9-173.4174.1-178.60120.9
245V29.3Very low28.9Very low129 Ų129130.8 Ų130.878%0.78278%0.779SS**  46112.3113.5176.60000116.1
246T33.3Very low29Very low123 Ų123131.1 Ų131.176%0.75577%0.772SS**  -153.9147.355.7-86.30000114.8
247T32Very low28.9Very low128 Ų128134.9 Ų134.979%0.78578%0.78SS**  trans12.5116.2155.4-480000122
248V26.1Very low28.9Very low139 Ų139135.9 Ų135.984%0.84279%0.788SS**  trans-166.2139.8145.5126.10000107.4
249L27.4Very low28.8Very low152 Ų152135.9 Ų135.980%0.79679%0.788SS**  cis-146.6-118.1-19.1-150.2177.2000107.9
250R35.4Very low28.8Very low225 Ų225136.9 Ų136.985%0.84979%0.794SS**  trans-146.5152.3163.1-83.1-164.1-178.695.6-2.6110.6
251P28.4Very low29Very low126 Ų126133.4 Ų133.482%0.81879%0.793SS**  trans-83.3150.3171.634.2-34000112.5
252T25.6Very low29Very low143 Ų143137.5 Ų137.588%0.87780%0.801SS**  trans-107.8147.9165.2-58.90000108.9
253S31.5Very low30.1Very low95 Ų95138 Ų13866%0.66480%0.802SS**  trans-79.9157.9179.5-159.30000113.4
254Q28Very low30.3Very low175 Ų175137.1 Ų137.182%0.81880%0.801SS**  trans-7.1138.6168.2-59.4168.1-79.700119.5
255L27.2Very low30.4Very low159 Ų159133.2 Ų133.283%0.83279%0.794SS**  trans-158.1145130.4-142.981.2000112.3
256P32.9Very low30.4Very low109 Ų109134.2 Ų134.271%0.70879%0.79SS**  trans-97.7145.4151.335-29.3000111.7
257N26.5Very low30.3Very low168 Ų168135.5 Ų135.590%0.89879%0.787SS**  trans26.9115164.4-76.16.3000121.3
258A27.1Very low30.6Very low102 Ų102136.7 Ų136.784%0.84379%0.787SS**  trans-159.1165.5132.100000110.4
259A29.1Very low31Very low86 Ų86136 Ų13671%0.71178%0.777SS**  trans-105.7168.3-159.300000117.1
260T27.8Very low31.2Very low140 Ų140136.2 Ų136.286%0.85977%0.774SS**  trans78.7136.814934.50000123.7
261A29.9Very low30.9Very low100 Ų100133.5 Ų133.583%0.82677%0.771SS**  trans89.9148.6150.500000121.7
262Q26Very low32.1Very low186 Ų186132.1 Ų132.187%0.86976%0.762SS**  trans-137-166.5177.7-66.3-155-22.800107.8
263P50.5Low32.5Very low110 Ų110132.3 Ų132.371%0.71476%0.756SS**  cis-142.8-168.9-1.741.5-19.9000117.5
264A32.7Very low32.5Very low87 Ų87136.4 Ų136.472%0.71976%0.764SS**  trans83.3153.1138.300000121.4
265V31.1Very low32.6Very low116 Ų116133.5 Ų133.570%0.70376%0.763SS**  cis-168.6135.5-11.9130.20000112.6
266Q30.8Very low32.9Very low150 Ų150135.6 Ų135.670%0.70176%0.76SS**  trans49166.9141.4-55.5-178.126.400122.9
267H30.1Very low33.9Very low150 Ų150135 Ų13569%0.69476%0.757SS**  cis-166.8177.8-4.2-119.1-174.2000114.3
268I38.3Very low35.2Very low153 Ų153131 Ų13179%0.78574%0.739SS**  trans80.4156.8151.7-82.6160.2000121.1
269I35.7Very low35.3Very low123 Ų123132 Ų13263%0.63174%0.735SS**  cis-167.9158.2-46.9-144.6170.2000114.5
270H31.1Very low35.3Very low157 Ų157133.8 Ų133.873%0.72774%0.737SS**  trans63157.5163.7-65.1153.9000121.9
271Q28Very low35.5Very low169 Ų169133.1 Ų133.179%0.7973%0.733SS**  cis96.7151.56.5-65.7-98.670.800118.1
272P53.9Low35.5Very low97 Ų97133.7 Ų133.763%0.6373%0.731SS**  cis-141-162.8-21.730.7-4.4000116.3
273I33.4Very low35.8Very low147 Ų147132 Ų13275%0.75473%0.728SS**  trans115.3123.8147.2-64.4165.7000123.1
274Q32.9Very low34.7Very low180 Ų180130.6 Ų130.684%0.84173%0.726SS**  trans30.8168.5141.9-71.3-178-3.700125.7
275S29.3Very low34.6Very low114 Ų114134 Ų13480%0.79773%0.73SS**  cis-162-179.1-5.237.60000114.7
276R33.6Very low35.8Very low204 Ų204133.2 Ų133.277%0.7773%0.728SS**  trans-97.5177.2-176.9-151.6-155.4160.8-163.2-5.5113.9P278R276-P278 PolarHBondContact NH2-O 3.03Å
277P54.9Low36.5Very low97 Ų97132.3 Ų132.363%0.6374%0.735SS**  -150.4-133.995.441.7-21.4000112.5
278P52.3Low36.6Very low82 Ų82129.6 Ų129.653%0.53274%0.738SS.*  cis-121.5-152.9-4235.5-15000112.9R276R276-P278 PolarHBondContact NH2-O 3.03Å
279V30.3Very low36.2Very low124 Ų124129 Ų12975%0.75274%0.742SS**  trans61.4168.9158-63.10000119.9
280T27.7Very low35.9Very low123 Ų123129.6 Ų129.676%0.75575%0.75SS**  cis-151-167.515.4-23.20000114
281T32.7Very low35.8Very low126 Ų126126.3 Ų126.377%0.77375%0.751SS**  trans-155.3177.7-16741.70000110.1
282S30.5Very low35.9Very low112 Ų112124.4 Ų124.478%0.78375%0.751SS**  cis179.9169.1-21-84.80000108
283N31.2Very low34.6Very low151 Ų151126 Ų12681%0.80776%0.758SS**  cis-174.4170.2-27.7-176.930.5000110.2
284A29.1Very low34.4Very low81 Ų81123.8 Ų123.867%0.66976%0.756SS**  trans86.7174.1156.100000123.1
285I29.4Very low34.3Very low157 Ų157119.2 Ų119.281%0.80575%0.749SS**  -134.3-142.4-99.9-37.3-178.2000112.3
286P55.7Low34.3Very low101 Ų101119.7 Ų119.766%0.65675%0.747SS**  trans-124.4-164-132.745.8-26.6000117.4
287P46.3Very low34.1Very low131 Ų131120.8 Ų120.885%0.85175%0.751SS**  trans-120.2171.4138.338-30.5000114
288A31.8Very low32.8Very low93 Ų93120 Ų12077%0.76975%0.753SS**  trans-149.6-152.8-165.900000114.7
289V30.9Very low31.7Very low141 Ų141124.8 Ų124.886%0.85577%0.768SS**  trans100123.3-172.3178.10000112.9
290V28.2Very low31.7Very low134 Ų134124.3 Ų124.381%0.81277%0.771SS**  cis-131.4-88.1-13.744.60000114.6
291A28.8Very low32.1Very low89 Ų89124 Ų12474%0.73677%0.771SS**  cis-147.7175.1-0.800000111.7
292T30.4Very low31.8Very low129 Ų129124.1 Ų124.179%0.79177%0.771SS**  trans-109.4141.3-169.642.60000112.2
293V27.9Very low31.6Very low130 Ų130125.8 Ų125.879%0.78877%0.77SS**  cis-144.6165.3-3.6-141.90000105.1
294S28.7Very low31.3Very low100 Ų100124.6 Ų124.670%0.69977%0.768SS**  cis-150.1152.115.2-28.90000110.3
295A30Very low31.3Very low84 Ų84126.6 Ų126.669%0.69477%0.772SS**  61.3125.990.100000115.7
296T30.1Very low31.2Very low124 Ų124124.3 Ų124.376%0.76177%0.766SS**  cis-156.3132.3-2.16.90000107.9
297R29.5Very low29.8Very low227 Ų227124.7 Ų124.786%0.85778%0.777SS**  65.6131.187.1-166.3-172-168.9-171.23.9114.2
298A28.2Very low29Very low81 Ų81122.1 Ų122.167%0.66977%0.767SS**  cis-172.5-168.5-2000000109.5
299Q28Very low29Very low182 Ų182125.9 Ų125.985%0.8577%0.768SS**  trans95.9110.1160-57.7-173.6-12.200118.2
300S30.3Very low29.6Very low115 Ų115122.1 Ų122.180%0.80475%0.752SS**  trans-68.8167.7152.9-20.60000110
301P36.8Very low30Very low116 Ų116120.5 Ų120.575%0.75374%0.742SS**  -157-168.860.643.7-21.8000117.4
302V25.8Very low30.1Very low129 Ų129123.1 Ų123.178%0.78274%0.744SS**  trans80.3153.1146.1155.80000120.7
303I26.5Very low30.3Very low147 Ų147121.6 Ų121.675%0.75474%0.739SS**  trans-50.8149.9173.8-57.1146.9000113.3
304T25.4Very low30.5Very low126 Ų126119.5 Ų119.577%0.77374%0.735SS**  177.3164.5129.7-74.20000111.6
305T27.8Very low30.7Very low122 Ų122122.8 Ų122.875%0.74874%0.744SS**  trans-68.2-177.1176.352.60000112.1
306T27.6Very low30.6Very low110 Ų110123.8 Ų123.868%0.67575%0.746SS**  cis-168.2150.441-570000112.4A308T306-A308 HydrophobicContact CG2-CB 3.7Å
307A26.8Very low31Very low108 Ų108129.4 Ų129.489%0.89375%0.753SS**  trans-141.8123.7141.900000107.7
308A30.3Very low31.1Very low78 Ų78124 Ų12465%0.64575%0.747SS**  trans-131.3152.3-161.600000114.3T306T306-A308 HydrophobicContact CG2-CB 3.7Å
309H32Very low30.9Very low171 Ų171125.5 Ų125.579%0.79275%0.749SS**  trans-141.5149.3169.2-83.13.9000109.2P325H309-P325 HydrophobicContact CB-CG 3.6Å
310A43.3Very low31.3Very low62 Ų62124.7 Ų124.751%0.51275%0.749SS.*  trans-149.2-171.8-164.800000113.6P325 P326A310-P325 CarbonylContact O-C 2.93Å; A310-P325 VanDerWaalsContact O-C 3.3Å; A310-P326 WeakPolarHBondContact O-CA 3.31Å
311T36.3Very low31.3Very low100 Ų100124.2 Ų124.261%0.61375%0.746SS**  trans-154.4174.6167.453.30000107.5P326T311-P326 HydrophobicContact CG2-CB 3.84Å
312D31.3Very low31.2Very low145 Ų145125.7 Ų125.778%0.77575%0.746SS**  cis-135.7-1282.9-167.5-140.4000108.7
313S33.8Very low31.6Very low97 Ų97128.2 Ų128.268%0.67875%0.749SS**  cis-165.5-177.5-6.8-148.10000114.1
314A32.3Very low32Very low86 Ų86129.6 Ų129.671%0.71175%0.752SS**  trans49.192.4154.800000121.7
315L33.7Very low33.2Very low168 Ų168125.2 Ų125.288%0.8873%0.726SS**  trans49.3121.1142.2-73.6164.9000123
316S27.2Very low34.3Very low105 Ų105123.9 Ų123.973%0.73472%0.719SS**  trans79.267.2139.8-57.50000121.8
317R37.8Very low34.6Very low242 Ų242124.1 Ų124.191%0.91373%0.725SS**  trans35.8134.3137.1-87.9-171.5176.7-150.4-1120.4
318P31.2Very low34.8Very low113 Ų113123.5 Ų123.573%0.73472%0.72SS**  -138.8159.561.539.8-25.4000118.2
319T24.4Very low34.8Very low114 Ų114123.9 Ų123.970%0.69972%0.723SS**  trans49112.7154.450.30000122.2
320L37.3Very low34.8Very low164 Ų164123.6 Ų123.686%0.85973%0.726SS**  trans76.3127.8140.9-62.1166.4000120.7
321S29.1Very low33.9Very low105 Ų105126 Ų12673%0.73474%0.739SS**  trans95.3131.9156.381.80000121.2
322I35.5Very low33.7Very low148 Ų148128 Ų12876%0.75974%0.744SS**  trans81.5128.6146.5-65.8156.8000121.8
323Q33.4Very low33.4Very low182 Ų182127.6 Ų127.685%0.8574%0.738SS**  trans80.3171.4160.1-119.9141.3-43.400123.1
324H35.1Very low33.1Very low175 Ų175133.2 Ų133.281%0.8174%0.744SS**  trans-144.4168.2-162.1-107.7-111000110.3
325P50.7Low33.4Very low34 Ų34134.6 Ų134.622%0.22175%0.746CS.*  cis-141.1-154.81544.2-22.8000115.3H309 A310H309-P325 HydrophobicContact CB-CG 3.6Å; A310-P325 CarbonylContact O-C 2.93Å; A310-P325 VanDerWaalsContact O-C 3.3Å
326P50.3Low33.1Very low95 Ų95130.8 Ų130.862%0.61774%0.739SS**  trans-146.9158.3165.541.2-25000119A310 T311A310-P326 WeakPolarHBondContact O-CA 3.31Å; T311-P326 HydrophobicContact CG2-CB 3.84Å
327S35.4Very low33Very low115 Ų115134.3 Ų134.380%0.80474%0.744SS**  trans174.2135147-169.90000117.6
328A30.1Very low32.4Very low94 Ų94128.6 Ų128.678%0.77774%0.741SS**  trans132.8145.9137.200000121.6
329A31.5Very low32.3Very low87 Ų87134 Ų13472%0.71975%0.747SS**  trans92.4117.6143.600000126.4
330I31.1Very low32.6Very low165 Ų165136 Ų13685%0.84675%0.753SS**  trans65.3125.1131.6-57167.3000122.7
331S24.7Very low32.3Very low112 Ų112133.9 Ų133.978%0.78375%0.746SS**  178.9178.7117.5-157.30000113.9
332I32.1Very low32.5Very low142 Ų142134.5 Ų134.573%0.72875%0.746SS**  trans-127.1178.5-164.453.2173000112.1
333Q24.2Very low32.5Very low137 Ų137133.7 Ų133.764%0.6475%0.748SS**  cis-170.6-179.636.9-158.8-175.298.600111.8
334R28.4Very low32.4Very low214 Ų214135.7 Ų135.781%0.80875%0.748SS**  trans90.1158.7152.8-81.8-170.7-162.9-179.24.6120.8
335P37.7Very low32.3Very low116 Ų116135.4 Ų135.475%0.75375%0.751SS**  trans-143.9-174.2-13045.7-26.2000118.9
336A27.2Very low31.3Very low88 Ų88139 Ų13973%0.72777%0.772SS**  trans99.4150.9138.500000122.5
337Q25.1Very low30.1Very low179 Ų179142 Ų14284%0.83678%0.782SS**  trans77.8144.1166.2-61.6-158.60.500121.7
338S26.3Very low30.8Very low121 Ų121141.5 Ų141.585%0.84678%0.776SS**  trans-152.7154.615958.30000109.8
339R29.8Very low30.8Very low228 Ų228141.7 Ų141.786%0.8677%0.771SS**  trans-145.8115.8-179.7-89.1-178.5167173.8-4.6111.6
340D30.5Very low30.7Very low156 Ų156145.9 Ų145.983%0.83478%0.776SS**  47160.4119.5-141.1-12.7000124.1
341V29.7Very low31.7Very low118 Ų118143.8 Ų143.872%0.71577%0.773SS**  trans99.492.9156.8-166.20000122.7
342T33.3Very low32.1Very low119 Ų119142.4 Ų142.473%0.7377%0.769SS**  61.2154.5114.6-44.70000126.6
343T35.8Very low31.9Very low130 Ų130144 Ų14480%0.79878%0.778SS**  trans97.6142.9166.469.60000117.8
344R32.6Very low32.1Very low224 Ų224140.9 Ų140.985%0.84578%0.782SS**  cis114.9116.9-1.7-169-172.9-167-106.23.4115.9
345I32.8Very low32.2Very low170 Ų170137.3 Ų137.387%0.87278%0.784SS**  trans-168.3170161.2-102.7150000111.6
346T28.9Very low32.1Very low109 Ų109137 Ų13767%0.66978%0.782SS**  trans-160.4163.3-167.5-33.20000115.4
347L25.1Very low32.1Very low158 Ų158142.5 Ų142.583%0.82779%0.789SS**  trans80.4163.4160.6-63-178.9000120.1
348P50.3Low32.1Very low105 Ų105142.5 Ų142.568%0.68279%0.789SS**  cis-143.7168.9-33.538-19000119.2
349S29.3Very low32.1Very low97 Ų97144.3 Ų144.368%0.67879%0.785SS**  trans61.9106.514063.20000126.1
350H30.9Very low31.8Very low175 Ų175141 Ų14181%0.8178%0.783SS**  56158.7115.4-75.3-42.8000124.5
351P52.1Low31.7Very low121 Ų121141.2 Ų141.279%0.78678%0.779SS**  cis-82-1507.837-39000113.9
352A32.4Very low31.5Very low84 Ų84141.6 Ų141.669%0.69478%0.781SS**  cis-158.6176.4-0.800000107.6
353L27.8Very low31.2Very low176 Ų176144.1 Ų144.192%0.92179%0.787SS**  cis-165.4177.3-18.6-125.2175.7000108
354G28.2Very low30.8Very low71 Ų71142.1 Ų142.173%0.73278%0.784SS**  trans101.3121.8166.700000116.3
355T29.8Very low30.5Very low138 Ų138139.9 Ų139.985%0.84778%0.783SS**  trans-88.4171.7-173.447.10000114.9
356P36.4Very low30.4Very low109 Ų109140.5 Ų140.571%0.70878%0.779SS**  cis-139.9163-28.634.5-17.1000115.4
357K27.1Very low30.3Very low204 Ų204142.2 Ų142.289%0.88779%0.79SS**  174.9133.1126.5-100.4173179.1178.90114.3
358Q25.8Very low30.6Very low179 Ų179139.8 Ų139.884%0.83678%0.777SS**  trans-118142.3156.5-79.6175.1-25.300106.2
359Q26.7Very low29.6Very low159 Ų159143.7 Ų143.774%0.74378%0.783SS**  71.19657.8-168.1-170-1.300114.2
360L23.5Very low29.4Very low159 Ų159144.9 Ų144.983%0.83279%0.791SS**  trans-158.3167.9130-140.378.1000110.7
361H27.3Very low29.3Very low161 Ų161143.2 Ų143.275%0.74579%0.794SS**  trans-94.8170.7172-46150.6000110.8
362T24.9Very low28.2Very low125 Ų125141.3 Ų141.377%0.76780%0.796SS**  154.8133.6123.7-67.90000114.1
363M27.4Very low28.1Very low172 Ų172143.5 Ų143.585%0.84780%0.801SS**  trans72.5127.1160-77.8-73.1-145.800123.3
364A27.5Very low28.5Very low88 Ų88141 Ų14173%0.72780%0.795SS**  trans63.5138.3146.300000119.7
365Q27.5Very low28.5Very low178 Ų178144.7 Ų144.783%0.83280%0.803SS**  cis-144.5147.222.9-64.1175.826.500114.6
366K29.7Very low28.5Very low182 Ų182142.7 Ų142.779%0.79180%0.801SS**  trans29.5103.1141.8-161.3177.9-172.5-179.10119.6I368K366-I368 HydrophobicContact CG-CD1 4.46Å; K366-I368 HydrophobicContact CG-CG1 4.3Å
367T27Very low28Very low145 Ų145142.6 Ų142.689%0.8981%0.809SS**  trans-121.8153.2156-60.80000109.3
368I31Very low28.1Very low108 Ų108136.3 Ų136.355%0.55480%0.795SS**  trans-128149.6-160.9-50.1179.5000111.4K366K366-I368 HydrophobicContact CG-CD1 4.46Å; K366-I368 HydrophobicContact CG-CG1 4.3Å
369F29.6Very low28.2Very low187 Ų187134.5 Ų134.582%0.8280%0.797SS**  trans75.792.8173-61.8-53.5000119.6
370S25.4Very low28.3Very low121 Ų121133.6 Ų133.685%0.84680%0.802SS**  31.1140.3125.8-55.30000123.1
371T28.3Very low28.5Very low140 Ų140130.2 Ų130.286%0.85980%0.797SS**  trans-74151.7177.648.60000116
372G29.9Very low29.1Very low81 Ų81128 Ų12884%0.83580%0.797SS**  trans-147.1118.5154.600000110.7
373T30.6Very low29.2Very low131 Ų131130.6 Ų130.680%0.80480%0.804SS**  trans-100.1144.4-176.2440000112.8
374P34.4Very low29.1Very low123 Ų123130 Ų13080%0.79980%0.804SS**  trans-84.3153.3-17834.8-36000113.3
375V27.9Very low29.1Very low148 Ų148129.7 Ų129.790%0.89780%0.801SS**  trans-134.4136.2162.9176.60000108.7
376A29.8Very low29Very low97 Ų97127 Ų12780%0.80280%0.797SS**  trans-121.5155.5173.400000110.3
377A26.5Very low28.9Very low106 Ų106125 Ų12588%0.87680%0.795SS**  trans-81.7153.6-17200000114.2
378A29.1Very low29Very low72 Ų72124.2 Ų124.260%0.59579%0.79SS**  trans-155.6113160.100000113.2
379T29.3Very low28.9Very low142 Ų142126.9 Ų126.987%0.87180%0.803SS**  trans40.4128.1139.2-44.90000121.9
380V28Very low28.9Very low139 Ų139123.4 Ų123.484%0.84280%0.8SS**  trans-102.2148.2171.4173.20000111.9
381A28Very low28.8Very low89 Ų89123.8 Ų123.874%0.73680%0.803SS**  trans-145.1158.2165.500000109.9
382P39.9Very low28.8Very low115 Ų115121.9 Ų121.975%0.74780%0.801SS**  trans-109174.6-136.440.6-39000116.3
383I25.8Very low28.7Very low179 Ų179125 Ų12592%0.91880%0.804SS**  trans-166.1169.5139.9-101.6153.7000111.6
384L26.8Very low28.6Very low160 Ų160125.4 Ų125.484%0.83881%0.807SS**  trans-94.1153.3-153.2-145.474.2000117
385A26.8Very low28.3Very low81 Ų81124.5 Ų124.567%0.66981%0.809SS**  trans64136.1144.900000123.2
386T25.1Very low28.2Very low122 Ų122121.2 Ų121.275%0.74881%0.806SS**  170.2135.8101.8-66.30000114.4
387N28.1Very low28Very low140 Ų140122.2 Ų122.275%0.74981%0.806SS**  trans42.7111.7160.1-65-14.7000124.6
388T29.3Very low28.1Very low128 Ų128123.2 Ų123.279%0.78580%0.802SS**  15.2135.6109.8-37.50000121.4
389I28.1Very low27.8Very low163 Ų163124.8 Ų124.884%0.83681%0.808SS**  trans-144.6169.7151.915.9178.4000109.4
390P29.5Very low27.8Very low115 Ų115125.5 Ų125.575%0.74780%0.801SS**  trans-121.7179.3-135.444.1-34.1000116.8
391S23.9Very low27.8Very low129 Ų129124.6 Ų124.690%0.90280%0.796SS**  trans-125.5153.8159.9-76.30000110.6
392A27.7Very low27.8Very low100 Ų100127.4 Ų127.483%0.82679%0.794SS**  trans-120153.3-171.800000113.3
393T28.4Very low27.2Very low146 Ų146126.5 Ų126.590%0.89680%0.796SS**  trans-138.2150.5170.6-47.60000110
394T28.8Very low28.3Very low140 Ų140122.9 Ų122.986%0.85979%0.785SS**  trans-90.9164-165.5-61.30000113.8
395A28.2Very low28.4Very low103 Ų103121.4 Ų121.485%0.85178%0.782SS**  trans-65.2161.9-168.400000117.9
396G25.6Very low28.5Very low80 Ų80121.9 Ų121.983%0.82578%0.781SS**  trans-169129163.500000111.7
397S25.8Very low28.6Very low117 Ų117122.6 Ų122.682%0.81879%0.785SS**  trans-88.6172.8176.848.20000111.5
398V26.8Very low28.5Very low128 Ų128123 Ų12378%0.77679%0.786SS**  cis-156.2167.544.51770000111.9
399S23Very low28.5Very low104 Ų104123.1 Ų123.173%0.72779%0.786SS**  trans-32.2148.1173.5-50.70000119.5
400H30.6Very low28.3Very low157 Ų157121.5 Ų121.573%0.72778%0.784SS**  70.614264.7-125.753.5000112.9
401T27Very low28.1Very low121 Ų121123.4 Ų123.474%0.74279%0.785SS**  cis-156.4-176.535.239.20000112
402Q28.3Very low28.2Very low148 Ų148123.5 Ų123.569%0.69278%0.78SS**  cis179.2103.6-42-176.9-178.7-6.800113.5
403A27.4Very low28.1Very low96 Ų96124.4 Ų124.479%0.79378%0.775SS**  trans58.8-160.2158.700000117.6
404P48.8Very low28.3Very low103 Ų103122.7 Ų122.767%0.66977%0.766SS**  cis-126.4173.6-2427.8-4.9000114.2
405T28.4Very low28Very low129 Ų129120.2 Ų120.279%0.79175%0.754SS**  160163.4100.343.30000110
406S28.9Very low28Very low91 Ų91123.7 Ų123.764%0.63675%0.753SS**  cis-172141.9-27-86.40000113
407T28.1Very low28.1Very low137 Ų137124.3 Ų124.384%0.8474%0.744SS**  trans64.2160.6157.810.90000117.3
408I26.9Very low28.2Very low148 Ų148123.2 Ų123.276%0.75974%0.737SS**  cis-131.7153.114.5-60.1172.6000111.6
409V27.9Very low28.4Very low130 Ų130125.1 Ų125.179%0.78874%0.737SS**  trans-111.4139.1168.71730000110.6
410T24.8Very low28.6Very low129 Ų129123.8 Ų123.879%0.79173%0.732SS**  trans-136.1138.7159.8-53.20000109.5
411M24.4Very low28.7Very low156 Ų156122.8 Ų122.877%0.76874%0.737SS**  trans-82.8172.1179.9-50.9-168.778.900111.2
412T25.5Very low28.7Very low130 Ų130120.8 Ų120.880%0.79873%0.733SS**  -174.4158.288.2-660000111.3
413V26.4Very low28.5Very low120 Ų120120.6 Ų120.673%0.72774%0.742SS**  trans-63.4-168.5-178.7-53.10000114.9
414P32.1Very low28.5Very low109 Ų109121.6 Ų121.671%0.70874%0.738SS**  cis-137.2147.7-13.134.8-14.8000117.7
415S24Very low27.6Very low88 Ų88123.6 Ų123.662%0.61575%0.749SS**  36.8152.5123.9-146.30000125.7
416H27.3Very low27.4Very low177 Ų177123.2 Ų123.282%0.81975%0.751SS**  trans76.4150.4158.9-56.9-53.1000118.9
417S28.4Very low27.5Very low92 Ų92125.6 Ų125.664%0.64376%0.756SS**  cis-171.2174.2-15.7174.50000110.2
418S28.1Very low28.2Very low94 Ų94125.3 Ų125.366%0.65775%0.748SS**  trans84.5141.8151.6-53.10000118.2
419H29.2Very low28.8Very low169 Ų169124.2 Ų124.278%0.78275%0.751SS**  cis-168.5156.1-11.8-123.3-55.2000113.5
420A29Very low28.8Very low76 Ų76124.1 Ų124.163%0.62875%0.751SS**  trans72.4162.7132.600000120.6
421T30.9Very low28.9Very low136 Ų136122.7 Ų122.783%0.83475%0.751SS**  cis-170165.6-15.829.60000107.8
422A28Very low29.2Very low78 Ų78124.5 Ų124.565%0.64576%0.755SS**  cis-178.9162.4-30.700000108.9
423V23.4Very low29.2Very low145 Ų145124.4 Ų124.488%0.87975%0.754SS**  trans-133.294.6157.7-179.20000106.3
424T27.2Very low29.4Very low116 Ų116124.3 Ų124.371%0.71275%0.753SS**  73.890.383.4-53.30000113.6
425T29.7Very low29.5Very low146 Ų146124.4 Ų124.490%0.89675%0.754SS**  trans-124.2149.1143480000107
426S25.2Very low29.7Very low120 Ų120127.7 Ų127.784%0.83976%0.76SS**  trans-114.9161.1-165.3-162.80000113.9
427N30.9Very low29.6Very low141 Ų141126.4 Ų126.475%0.75475%0.754SS**  trans-100134.1-165.8-94.5-24.1000115.3
428I43.1Very low29.6Very low131 Ų131129.3 Ų129.367%0.67276%0.761SS**  9.5132.3119.6-50.4165.7000117.5V430I428-V430 HydrophobicContact CG2-CG2 4.23Å
429P38.8Very low29.3Very low125 Ų125129.9 Ų129.981%0.81276%0.76SS**  trans-108.4120.1134.733.3-26.1000109.7
430V29.2Very low29.3Very low129 Ų129130.2 Ų130.278%0.78276%0.762SS**  80.5104.252.8177.90000113.3I428I428-V430 HydrophobicContact CG2-CG2 4.23Å
431A27.1Very low29.2Very low98 Ų98132.1 Ų132.181%0.8177%0.766SS**  trans-160.4132146.100000111.3
432K29.8Very low29Very low195 Ų195131 Ų13185%0.84876%0.764SS**  trans-90.7161.6152.8-73.2-178.6177.8-179.50107.4
433V25Very low29Very low127 Ų127133.2 Ų133.277%0.7777%0.771SS**  174.1118.689.9152.40000104.1
434V32Very low29.2Very low118 Ų118137.4 Ų137.472%0.71577%0.771SS**  57.9130.890.9174.20000111.8
435P34.1Very low29.3Very low112 Ų112138.1 Ų138.173%0.72777%0.769SS**  cis-121179.134.329-5.1000113
436Q26.6Very low29.4Very low157 Ų157138.5 Ų138.573%0.73476%0.761SS**  cis6412745.9-177.8169.73.800111.3
437Q26.1Very low29.5Very low150 Ų150138.9 Ų138.970%0.70176%0.761SS**  cis-152.3-172.514.1-153.3159.7-21.900111.5
438I28.1Very low29.2Very low153 Ų153138.1 Ų138.179%0.78576%0.757SS**  trans76.9136.9161.7-62.3155.3000115.5
439T23.2Very low28.7Very low105 Ų105142.4 Ų142.464%0.64477%0.766SS**  cis-164.5130.8-27.8-87.70000105.6
440H27.3Very low28.7Very low177 Ų177142.1 Ų142.182%0.81976%0.764SS**  trans-162.7126.5145-95.1-59.1000112.4
441T28.4Very low28.8Very low115 Ų115140.3 Ų140.371%0.70676%0.763SS**  trans57.5115.7145.958.80000122
442S25.1Very low28.8Very low114 Ų114142.7 Ų142.780%0.79776%0.757SS**  trans92.2113.2133.4-57.40000120.1
443P28.9Very low28.8Very low123 Ų123143.3 Ų143.380%0.79975%0.754SS**  trans-97.2145.5170.937.5-32.4000113.9
444R27.5Very low28.8Very low233 Ų233142.5 Ų142.588%0.87975%0.754SS**  45.6143.7121.7-140.5-172.8-156.8-1695.2122.1
445I28.6Very low28.6Very low131 Ų131141 Ų14167%0.67275%0.749SS**  trans96.4106.1157.1-52.6-179.5000116.7
446Q32.4Very low28.5Very low154 Ų154143 Ų14372%0.7275%0.753SS**  trans44.8172.2146.3-55.3-177.9-6900119.1
447P27.6Very low28.7Very low128 Ų128142.6 Ų142.683%0.83175%0.754SS**  -127.2159.469.938.7-27.9000114.4
448D24.3Very low29.1Very low126 Ų126140.4 Ų140.467%0.67475%0.753SS**  trans-93.7173.2158.1-120.1-61.8000110
449Y33.6Very low29.1Very low221 Ų221141 Ų14187%0.86776%0.756SS**  trans-61.9150.5-179.3-79.4-94.1000114.3
450P37.5Very low29.3Very low118 Ų118142.1 Ų142.177%0.76677%0.768SS**  -149.2177.8112.935.5-18.3000114.6
451A31.4Very low29.4Very low91 Ų91136.7 Ų136.775%0.75276%0.76SS**  cis-176.6-164-32.800000109.1
452E28.4Very low29.4Very low149 Ų149140.4 Ų140.470%0.69677%0.769SS**  trans94.1131.9178.1-59.8-128.3124.500116
453R29.7Very low29.5Very low207 Ų207147.2 Ų147.278%0.78178%0.777SS**  cis-142.9147.5-11.1-100.5170.2-167.5169.118.9107
454S25.1Very low29.4Very low110 Ų110145.8 Ų145.877%0.76978%0.776SS**  162.9143.283.3-170.70000106
455S26.3Very low29.5Very low88 Ų88140.1 Ų140.162%0.61577%0.771SS**  cis-159154.5-2.3-102.80000110.1
456L33.2Very low30.1Very low152 Ų152139.4 Ų139.480%0.79678%0.775SS**  trans45.9140.8139-52.4173000120
457I30.7Very low30Very low150 Ų150139.1 Ų139.177%0.76978%0.779SS**  cis-153.2163.312.3-122.7154.9000109.5
458P34.3Very low30.5Very low103 Ų103137.9 Ų137.967%0.66977%0.771SS**  trans-129177.5-145.944.7-32.3000118.5
459I28.3Very low30.7Very low167 Ų167138.6 Ų138.686%0.85678%0.779SS**  trans45.5124.6161.54.4168.4000121.9
460S27.2Very low30.6Very low127 Ų127132.3 Ų132.389%0.88877%0.773SS**  -173.9157.8121.4-152.50000108.7
461G28.9Very low30.2Very low63 Ų63135.4 Ų135.465%0.64978%0.78SS**  cis176.8156.1-3.600000109.9
462H29.2Very low30.2Very low194 Ų194137.4 Ų137.490%0.89877%0.773SS**  trans-75.5141.4-175.9-52.5-101.9000113.4
463R26.4Very low30.2Very low257 Ų257136.7 Ų136.797%0.9778%0.779SS**  -174.5-178118-106.8-179175.1-129.4-1.7113.8
464A26.1Very low30.1Very low93 Ų93136.1 Ų136.177%0.76978%0.777SS**  trans-107172.3-169.400000113.9
465S30.7Very low30.3Very low113 Ų113135.2 Ų135.279%0.7977%0.771SS**  trans-16140.6153.6-1640000115.5
466P41.1Very low30.4Very low116 Ų116137.3 Ų137.375%0.75378%0.776SS**  cis-144.1178.94540.8-20.6000119.6
467N30.6Very low30.2Very low148 Ų148136.1 Ų136.179%0.79177%0.77SS**  trans-50.2148.1172.1-166.428.1000114
468P37.8Very low30Very low103 Ų103139.7 Ų139.767%0.66977%0.774SS**  -157.4161.99940.6-21.9000119.4
469V27.1Very low30.3Very low140 Ų140140.2 Ų140.285%0.84878%0.777SS**  trans74.1155142.1164.40000120.6
470A33.4Very low30.2Very low90 Ų90137.2 Ų137.274%0.74477%0.771SS**  trans-121.2174.8-174.300000112.8
471M28Very low30.2Very low182 Ų182137.7 Ų137.790%0.89777%0.768SS**  trans-142.1155.9175.6-93.5-67.1-71.600113
472E31.4Very low31.1Very low133 Ų133139.7 Ų139.762%0.62177%0.77SS**  trans-79.8158.2-176.7-77.1178.258.500115.7R474E472-R474 IonicContact OE1-NH1 2.67Å; E472-R474 PolarHBondContact OE1-NH1 3.42Å
473T29.5Very low31.1Very low134 Ų134136 Ų13682%0.82276%0.76SS**  -162.8117.411232.30000108.6
474R27.4Very low31.2Very low195 Ų195131 Ų13174%0.73675%0.748SS**  53.2104.586.9-91.5-175.8156.896.7-9.3114E472E472-R474 IonicContact OE1-NH1 2.67Å; E472-R474 PolarHBondContact OE1-NH1 3.42Å
475S29.5Very low31.3Very low92 Ų92133 Ų13364%0.64374%0.74SS**  91.2153.57685.40000111.8
476D27.7Very low31.2Very low132 Ų132133.9 Ų133.971%0.70673%0.731SS**  cis-158.5163.516.2-101-56.5000109.8
477N28Very low30.7Very low127 Ų127135.2 Ų135.268%0.67972%0.722SS**  cis-152.4-67.1-13.3-161.8-85.1000115
478R28.2Very low30.6Very low224 Ų224132 Ų13285%0.84570%0.702SS**  trans-163.1178-158.4-101.2-178171.5-163.8-2.4114.3
479P40.1Very low30.3Very low115 Ų115133.7 Ų133.775%0.74770%0.704SS**  cis-117.7-14913.423.63.3000113.3
480S26.8Very low31.7Very low103 Ų103130.4 Ų130.472%0.7269%0.686SS**  cis-156.4-178.618.7-59.60000113.7
481V26.4Very low31.4Very low138 Ų138129.5 Ų129.584%0.83667%0.671SS**  trans-160.3-174.9-177-120.10000110.1
482P46.9Very low31.5Very low105 Ų105130.1 Ų130.168%0.68267%0.665SS**  cis-140.6-165.2-17.527.9-0.9000116.2
483V29.3Very low32.6Very low115 Ų115126.4 Ų126.470%0.69765%0.652SS**  trans66.2161.2157-870000120.9
484Q28.4Very low33.1Very low153 Ų153123.6 Ų123.672%0.71564%0.636SS**  cis-154.5153.112.5-147145.413.300117.1
485F28.7Very low33.3Very low135 Ų135119.3 Ų119.359%0.59264%0.636SS**  trans10.1164158.8-59.4-46.5000125.1Y487F485-Y487 HydrophobicContact CD1-CD2 4.45Å; F485-Y487 AromaticContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CE1-CE2 4.05Å; F485-Y487 HydrophobicContact CG-CE2 4.21Å
486Q28.8Very low33.2Very low131 Ų131119.6 Ų119.661%0.61264%0.644SS**  cis-162.5102.541.1-167.289.929.300119.1
487Y31.3Very low33Very low144 Ų144123.5 Ų123.557%0.56565%0.651SS**  trans75-149.4142-69.2-83.6000125.9F485F485-Y487 HydrophobicContact CD1-CD2 4.45Å; F485-Y487 AromaticContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CE1-CE2 4.05Å; F485-Y487 HydrophobicContact CG-CE2 4.21Å
488F28.3Very low33.7Very low81 Ų81122.4 Ų122.436%0.35565%0.65SS.*  -127.2-178-125.474.675000121.9A627 T628 I629F488-A627 WeakPolarHBondContact O-CB 3.36Å; F488-T628 CarbonylContact O-C 3.2Å; F488-T628 WeakPolarHBondContact O-CA 3.25Å; F488-T628 PolarHBondContact O-N 3.38Å; F488-I629 HydrophobicContact CB-CD1 3.5Å; F488-I629 HydrophobicContact CB-CG1 3.71Å; F488-I629 HydrophobicContact CD1-CB 3.25Å; F488-I629 HydrophobicContact CD1-CD1 2.3Å; F488-I629 HydrophobicContact CD1-CG1 2.3Å; F488-I629 HydrophobicContact CD1-CG2 4.33Å; F488-I629 HydrophobicContact CD2-CB 3.9Å; F488-I629 HydrophobicContact CD2-CD1 2.31Å; F488-I629 HydrophobicContact CD2-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CB 2.76Å; F488-I629 HydrophobicContact CE1-CD1 2.3Å; F488-I629 HydrophobicContact CE1-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CG2 3.25Å; F488-I629 HydrophobicContact CE2-CB 3.51Å; F488-I629 HydrophobicContact CE2-CD1 2.3Å; F488-I629 HydrophobicContact CE2-CG1 2.32Å; F488-I629 HydrophobicContact CE2-CG2 3.69Å; F488-I629 HydrophobicContact CG-CB 3.81Å; F488-I629 HydrophobicContact CG-CD1 2.3Å; F488-I629 HydrophobicContact CG-CG1 2.33Å; F488-I629 HydrophobicContact CZ-CB 2.91Å; F488-I629 HydrophobicContact CZ-CD1 2.3Å; F488-I629 HydrophobicContact CZ-CG1 2.31Å; F488-I629 HydrophobicContact CZ-CG2 2.82Å; F488-I629 PolarHBondContact O-N 3Å
489L31.1Very low34Very low139 Ų139119.4 Ų119.473%0.72865%0.65SS**  trans-84.5-132.4-174-65.966.1000113.8I629L489-I629 VanDerWaalsContact O-CA 3.3Å; L489-I629 WeakPolarHBondContact O-CA 3.39Å; L489-I629 PolarHBondContact O-N 3.06Å
490P56.5Low33.5Very low70 Ų70118.4 Ų118.446%0.45565%0.652SS.*  cis-138-177.2-29.642.6-24.7000116.4
491T27.6Very low33.5Very low72 Ų72117.7 Ų117.744%0.44265%0.652SS.*  trans175.7156.4130.8-86.50000114.7A631 N632T491-A631 VanDerWaalsContact CB-O 3.26Å; T491-A631 WeakPolarHBondContact CB-O 3.44Å; T491-A631 PolarHBondContact OG1-O 3.05Å; T491-N632 WeakPolarHBondContact OG1-CA 3.36Å; T491-N632 PolarHBondContact OG1-N 2.82Å; T491-N632 PolarHBondContact OG1-OD1 3.04Å
492Y28.8Very low33.6Very low194 Ų194120 Ų12076%0.76165%0.653SS**  trans-152.5-141.5-161.8-142.5-29.3000115.9
493P56.2Low32.5Very low55 Ų55121.5 Ų121.536%0.35766%0.661SS.*  trans-83.7-127-139.143.7-43.6000118.2I634P493-I634 CarbonylContact C-O 3.58Å
494P39.3Very low32.4Very low75 Ų75126.3 Ų126.349%0.48767%0.668SS.*  cis-93-178.64.341.5-38.2000114.1I634P494-I634 WeakPolarHBondContact CD-O 3.22Å; P494-I634 HydrophobicContact CG-CG2 4.22Å
495S30.6Very low32.7Very low106 Ų106124.3 Ų124.374%0.74167%0.666SS**  cis100.1121.34.9-156.50000119.1
496A28.8Very low33.3Very low98 Ų98122.9 Ų122.981%0.8167%0.671SS**  trans-161.9162169.300000114.7
497Y23.7Very low33.4Very low214 Ų214123.3 Ų123.384%0.83968%0.676SS**  trans-130.3-169.3-174.3-119-120.4000110
498P42.5Very low33.4Very low103 Ų103122.8 Ų122.867%0.66969%0.688SS**  cis-141.2157.57.538.4-17.3000120.6
499L33.1Very low33.3Very low162 Ų162123.7 Ų123.785%0.84870%0.704SS**  trans61.8178.6153.9-63.9170.7000117.3
500A30.6Very low33.3Very low94 Ų94122 Ų12278%0.77770%0.704SS**  cis-138.2-152.63.900000110.1
501A27Very low31.9Very low87 Ų87125.3 Ų125.372%0.71972%0.722SS**  cis-161.2-174.73.900000111
502H28.1Very low31.9Very low186 Ų186127.5 Ų127.586%0.86174%0.74SS**  trans-142.8144.2176.8-57.7-42.3000115.6
503T24.5Very low32.1Very low138 Ų138124.5 Ų124.585%0.84774%0.743SS**  171.9120.6125.2-72.80000113.8
504Y26.2Very low31Very low216 Ų216129.4 Ų129.485%0.84776%0.764SS**  trans37.2158.3152.2-112.3-104.5000126.3
505T34.5Very low30.5Very low111 Ų111135.9 Ų135.968%0.68178%0.779SS**  trans-103.5-173-175.458.30000111
506P42Very low30.1Very low105 Ų105138.6 Ų138.668%0.68278%0.78SS**  cis-152.8-173.317.134.4-6.3000120.5
507I31.2Very low29.8Very low140 Ų140143.4 Ų143.472%0.71878%0.778SS**  trans92.288.7153.5-44.8-166.7000122
508T30.3Very low30.1Very low133 Ų133138.3 Ų138.382%0.81677%0.772SS**  trans65.9160142.774.10000120.6
509S26.7Very low29.2Very low100 Ų100140.4 Ų140.470%0.69978%0.782SS**  cis-151.5145.411.862.10000116.3
510S30.8Very low28.8Very low103 Ų103137.8 Ų137.872%0.7278%0.778SS**  trans66.3117.6143.964.10000124.6
511V27.6Very low28.5Very low140 Ų140137.8 Ų137.885%0.84878%0.778SS**  trans77.7119.3142.6179.60000120.5
512S28.2Very low28.4Very low117 Ų117142.6 Ų142.682%0.81879%0.785SS**  trans-168.9-176.9152.2-86.10000110.8
513T33Very low28.4Very low132 Ų132137.7 Ų137.781%0.8178%0.777SS**  trans-134.4172.2-176540000109.9
514I31.9Very low28.5Very low157 Ų157137.3 Ų137.381%0.80578%0.776SS**  cis-146.7-141.121.5-159.1160000112.3
515R29.5Very low28.6Very low211 Ų211134.1 Ų134.180%0.79677%0.774SS**  trans-84.5152.8175.3-68173.4172.3-96.6-0.1109.6
516Q23Very low28.1Very low164 Ų164134.9 Ų134.977%0.76678%0.784SS**  -151.7150.155.1-68-177.25.300114.1
517Y21.2Very low27.5Very low198 Ų198134.2 Ų134.278%0.77679%0.787SS**  trans35.6156.6155.3-55.4-61.7000122.8
518P30.3Very low27.3Very low108 Ų108135.3 Ų135.370%0.70179%0.793SS**  cis-121.5172-14.140.1-27.5000113.2
519V23.9Very low27.1Very low146 Ų146135 Ų13589%0.88579%0.791SS**  trans-140.5127.9154175.50000108.5
520S25.6Very low27.2Very low108 Ų108134.1 Ų134.176%0.75579%0.79SS**  trans-132.3149.9172.4-70.40000110.4
521A23.9Very low27Very low94 Ų94137.8 Ų137.878%0.77780%0.796SS**  trans6391.6158.200000120.4
522Q23.7Very low27Very low188 Ų188137.2 Ų137.288%0.87979%0.793SS**  77.8136.5101.6-167.1152.2-62.400122.8
523A28.5Very low27.1Very low83 Ų83134.9 Ų134.969%0.68679%0.787SS**  trans72.9154164.600000115.6
524P27.3Very low27Very low129 Ų129135.9 Ų135.984%0.83879%0.792SS**  -106.5145.952.336.1-35.5000115.6
525N27.2Very low26.9Very low150 Ų150131.9 Ų131.980%0.80279%0.789SS**  trans-130.4130.3160.2-139.722.2000105.9
526S25.2Very low27Very low126 Ų126128.7 Ų128.788%0.88179%0.793SS**  trans-141.6122169.1-74.30000108.1
527A28.3Very low27.3Very low91 Ų91125.4 Ų125.475%0.75279%0.794SS**  trans-136.2155.8-162.800000113.8
528I28.1Very low27.7Very low163 Ų163121.3 Ų121.384%0.83679%0.794SS**  trans-154.2142.4-179.7-69.9-178.7000105.7
529T26.1Very low27.9Very low126 Ų126122.3 Ų122.377%0.77380%0.799SS**  cis-171.8138.5-15.8-870000105
530A27.6Very low28.3Very low82 Ų82121.3 Ų121.368%0.67879%0.793SS**  cis-148176.5700000113.5
531Q26.5Very low28.7Very low181 Ų181124.2 Ų124.285%0.84679%0.794SS**  trans4.2143.7137.3-64.7-172.7-1.100120.5
532T29.4Very low29.4Very low128 Ų128126.9 Ų126.979%0.78579%0.794SS**  cis-162.8137.7-9.7-76.20000111
533G29.2Very low29.9Very low67 Ų67124.4 Ų124.469%0.69179%0.787SS**  trans85.4148.5159.300000116.7
534V30.1Very low30.3Very low154 Ų154125.7 Ų125.793%0.93379%0.788SS**  cis-147.3148.5-4.7176.50000108.9
535G31.6Very low31Very low72 Ų72128.1 Ų128.174%0.74279%0.791SS**  trans101.3117165.300000114.7
536V31.3Very low31.6Very low144 Ų144129.7 Ų129.787%0.87379%0.793SS**  trans-118.2120.3-175.2-168.20000110.6
537A28.9Very low32.1Very low95 Ų95131.4 Ų131.479%0.78579%0.792SS**  trans-112.3109.7167.600000108.9T539A537-T539 PolarHBondContact O-N 3.34Å
538S30.2Very low32.5Very low112 Ų112135 Ų13578%0.78380%0.795SS**  trans-87109.3-174-164.90000111.5
539T33.3Very low33Very low129 Ų129134.1 Ų134.179%0.79180%0.797SS**  trans-84.1114.4177.553.90000111A537 H541A537-T539 PolarHBondContact O-N 3.34Å; T539-H541 PolarHBondContact O-N 2.73Å; T539-H541 VanDerWaalsContact O-N 3.12Å
540V32.2Very low33.8Very low125 Ų125134.1 Ų134.176%0.75880%0.797SS**  trans-71.9105.6176.7-179.50000110.1L542V540-L542 HydrophobicContact CG1-CD2 4.33Å; V540-L542 HydrophobicContact CG1-CG 4.5Å; V540-L542 PolarHBondContact O-N 2.79Å; V540-L542 VanDerWaalsContact O-N 3.08Å
541H33.4Very low33.9Very low170 Ų170136 Ų13679%0.78780%0.795SS**  trans-73.395.6177.1176.4-74.3000111.1T539T539-H541 PolarHBondContact O-N 2.73Å; T539-H541 VanDerWaalsContact O-N 3.12Å
542L38.9Very low34.4Very low149 Ų149131.9 Ų131.978%0.7879%0.793SS**  trans-77.2127.9172.9-69.3176.1000111.5V540V540-L542 HydrophobicContact CG1-CD2 4.33Å; V540-L542 HydrophobicContact CG1-CG 4.5Å; V540-L542 PolarHBondContact O-N 2.79Å; V540-L542 VanDerWaalsContact O-N 3.08Å
543N34.1Very low34.6Very low137 Ų137129.4 Ų129.473%0.73378%0.78SS**  trans-73.2127.8176.7-173.61000110.2M545N543-M545 PolarHBondContact O-N 3.49Å
544P37.9Very low35.1Very low109 Ų109134.4 Ų134.471%0.70879%0.785SS**  trans-68.394.9-17826.8-35.7000112.7Q546P544-Q546 PolarHBondContact O-N 3.27Å
545M42Very low35.4Very low180 Ų180131.2 Ų131.289%0.88778%0.776SS**  trans-53.6132.6163.2-90.4-81.4-76.300110.4N543 L547N543-M545 PolarHBondContact O-N 3.49Å; M545-L547 PolarHBondContact O-N 3.15Å; M545-L547 VanDerWaalsContact O-N 3.15Å
546Q39.1Very low35.5Very low183 Ų183138.9 Ų138.986%0.85578%0.782SS**  trans-64115.7-174.3-69.5176.3-12.800111.4P544 M548P544-Q546 PolarHBondContact O-N 3.27Å; Q546-M548 PolarHBondContact O-N 3.09Å
547L36.6Very low35.4Very low162 Ų162140.3 Ų140.385%0.84878%0.779SS**  trans-63.5117.2174.7-176.368.5000109.7M545 T549M545-L547 PolarHBondContact O-N 3.15Å; M545-L547 VanDerWaalsContact O-N 3.15Å; L547-T549 PolarHBondContact O-N 2.98Å
548M36.7Very low35.5Very low168 Ų168142.9 Ų142.983%0.82878%0.778SS**  trans-64.1121.7170-68.4-159.687.100109.1Q546 V550Q546-M548 PolarHBondContact O-N 3.09Å; M548-V550 PolarHBondContact O-N 2.97Å; M548-V550 VanDerWaalsContact O-N 3.12Å
549T38.5Very low35.5Very low143 Ų143145.7 Ų145.788%0.87778%0.778SS**  trans-62.5112.8-179.143.60000111.1L547L547-T549 PolarHBondContact O-N 2.98Å
550V43.1Very low35.2Very low126 Ų126142.9 Ų142.976%0.76478%0.776SS**  trans-92.9131.3163.6-178.20000107.4M548 A552M548-V550 PolarHBondContact O-N 2.97Å; M548-V550 VanDerWaalsContact O-N 3.12Å; V550-A552 PolarHBondContact O-N 3.22Å
551D29.3Very low35.1Very low121 Ų121145.3 Ų145.365%0.64778%0.783SS**  trans-61.1120.2175.917230.5000110.7S553D551-S553 VanDerWaalsContact OD1-CB 3.22Å; D551-S553 WeakPolarHBondContact OD1-CB 3.45Å; D551-S553 PolarHBondContact OD1-N 2.79Å; D551-S553 PolarHBondContact OD1-OG 2.93Å; D551-S553 PolarHBondContact OD2-OG 3.29Å
552A37.3Very low35.1Very low96 Ų96144.7 Ų144.779%0.79378%0.78SS**  trans-10827-171.900000112.8V550V550-A552 PolarHBondContact O-N 3.22Å
553S33.2Very low34.6Very low75 Ų75143.2 Ų143.252%0.52478%0.779SS.*  trans-91.30.2-167.758.70000116.7D551D551-S553 VanDerWaalsContact OD1-CB 3.22Å; D551-S553 WeakPolarHBondContact OD1-CB 3.45Å; D551-S553 PolarHBondContact OD1-N 2.79Å; D551-S553 PolarHBondContact OD1-OG 2.93Å; D551-S553 PolarHBondContact OD2-OG 3.29Å
554H40.6Very low34.3Very low172 Ų172140.8 Ų140.880%0.79678%0.778SS**SBendtrans-121.511.9-167.8-73.985.2000116.4
555A35.2Very low34.3Very low88 Ų88141.4 Ų141.473%0.72778%0.782SS**  trans-12339.9-169.500000115.8
556R33.4Very low33.6Very low232 Ų232141 Ų14188%0.87578%0.782SS**  trans-141.886.5174.1-66.9-65.2-101.8169.2-4.9113.8
557H29.7Very low32.9Very low175 Ų175137.5 Ų137.581%0.8178%0.777SS**  trans-150.1159.4152.6-160.5-110.8000110.8
558I31.9Very low32.9Very low149 Ų149135.7 Ų135.776%0.76477%0.773SS**  trans63.694.7-174.8-46.2-62.5000115.1
559Q29.2Very low32.4Very low170 Ų170137.1 Ų137.179%0.79478%0.778SS**  trans-151.3131.2143-165.7172.817.100108.1
560G27.9Very low32.1Very low71 Ų71133.6 Ų133.673%0.73277%0.77SS**  trans163.981.9179.600000116.4
561I30.2Very low31.4Very low176 Ų176136.1 Ų136.190%0.90378%0.778SS**  trans-138.1147142.2-61.2-173.9000106
562Q31.7Very low31.3Very low156 Ų156138.2 Ų138.273%0.72978%0.784SS**  trans-134.8151.3178-169.7-123.264.100109.4
563P28.5Very low31Very low119 Ų119139.9 Ų139.977%0.77379%0.786SS**  trans-123.3158.115536.5-26000113.4
564A28.7Very low30.7Very low85 Ų85140.3 Ų140.370%0.70280%0.795SS**  trans-100.6169.9-175.800000112.6
565P38.7Very low30.5Very low123 Ų123138.2 Ų138.280%0.79980%0.796SS**  trans-98.6158.2-164.538-35000115
566I26.6Very low30.2Very low172 Ų172142.5 Ų142.588%0.88281%0.805SS**  trans-136.9146.2164.7-62.4-175.6000111.5
567S24.3Very low29.9Very low108 Ų108134.3 Ų134.376%0.75579%0.793SS**  trans-34.6154.9179.9-158.40000119.9
568T35.2Very low30.1Very low124 Ų124132.6 Ų132.676%0.76180%0.795SS**  trans-79.3152.7156.450.70000111.9
569Q28.1Very low30.5Very low198 Ų198131.6 Ų131.693%0.92580%0.798SS**  trans179137.3136.4-103.3-179.220.100112
570G30.9Very low30.3Very low70 Ų70126.4 Ų126.472%0.72279%0.79SS**  trans105147.9147.100000119.9
571I28.6Very low30.3Very low178 Ų178131.9 Ų131.991%0.91380%0.801SS**  trans83.3133.1159.6-52.3172.1000117.1
572Q27.8Very low30.2Very low166 Ų166131.6 Ų131.678%0.77680%0.796SS**  trans-87.1159.5-179-60.7178.17.100112.5
573P31Very low30.4Very low130 Ų130130 Ų13084%0.84480%0.799SS**  trans-75.5126.7159.132-31.8000110.9
574A27Very low30.4Very low85 Ų85128.1 Ų128.170%0.70279%0.794SS**  trans-128.1142.3170.200000110
575P36Very low31.3Very low128 Ų128129.8 Ų129.883%0.83180%0.797SS**  trans-84.1157.9-173.634.2-36.1000113.1
576I29Very low30.7Very low177 Ų177132.6 Ų132.691%0.90881%0.805SS**  trans-128.9137.2168.8-62.3178.1000108.6
577G27.2Very low30.8Very low60 Ų60127.2 Ų127.262%0.61979%0.791SS**  trans-165.2177.8170.700000109.4
578T32.5Very low31.2Very low140 Ų140128.3 Ų128.386%0.85979%0.794SS**  trans169.1164.816329.60000109.2
579P40.8Very low30.9Very low127 Ų127131.5 Ų131.583%0.82580%0.8SS**  cis-119.7175.9-21.733.7-17000111.5
580G26.1Very low31Very low62 Ų62125.4 Ų125.464%0.63979%0.79SS**  cis170.6-152.5-100000112
581I27.8Very low30.9Very low185 Ų185128.6 Ų128.695%0.94979%0.789SS**  trans88.4136.3-177.6-53.8-179.8000115.2
582Q27.1Very low30.9Very low170 Ų170127.3 Ų127.379%0.79478%0.779SS**  trans-101.3178.7-172.8-118.6-173.5-0.500111
583P36.7Very low30.8Very low122 Ų122124.9 Ų124.979%0.79278%0.78SS**  cis-125.2-167.331.714.612.8000112.6
584A28.2Very low30.5Very low81 Ų81123.5 Ų123.567%0.66978%0.78SS**  cis174.5160.9-29.600000105.5
585P47.6Very low30.5Very low119 Ų119125.7 Ų125.777%0.77379%0.785SS**  trans-125.8167.7-147.142.6-32.1000118
586L26.5Very low31.1Very low183 Ų183124.8 Ų124.896%0.95878%0.779SS**  trans175.2147.6151.6-95.3153000108.8
587G29.1Very low30.9Very low58 Ų58124 Ų12460%0.59877%0.774SS**  cis-179.5139.4-1200000113.8
588T31.9Very low30.8Very low132 Ų132127.3 Ų127.381%0.8178%0.778SS**  trans53.9124.3149.652.20000124.8
589Q29.9Very low30.8Very low190 Ų190125.7 Ų125.789%0.88877%0.768SS**  trans70.4146.7134.8-58-74.126.900121.6
590G28.5Very low30.2Very low70 Ų70128 Ų12872%0.72277%0.768SS**  trans161.3144.1169.600000113.2
591I28.5Very low30.3Very low138 Ų138128.3 Ų128.371%0.70877%0.771SS**  trans-140.4152.2-174.5-27.5177.1000112
592H29Very low30.4Very low151 Ų151126.9 Ų126.970%0.69977%0.765SS**  trans50.6114.7155.448.5-137.8000123.3
593S25.4Very low30.3Very low114 Ų114127.6 Ų127.680%0.79777%0.768SS**  77.7143.5128.269.40000123.8
594A25.5Very low30.6Very low101 Ų101127.1 Ų127.184%0.83577%0.765SS**  trans86149.9152.600000121.2
595T26.4Very low30.6Very low132 Ų132127.4 Ų127.481%0.8177%0.767SS**  trans-106.6-172179.855.60000109.8
596P48.8Very low30.2Very low108 Ų108127 Ų12770%0.70176%0.764SS**  cis-130.3-138.4-6.539-17.5000112.6
597I26.5Very low30.4Very low160 Ų160126.4 Ų126.482%0.82176%0.761SS**  trans96.5141.8167.5-59.6167.4000116.7
598N25Very low30.3Very low131 Ų131126.5 Ų126.570%0.70176%0.761SS**  cis-164.7156.7-35.4-162.522.6000113
599T31.7Very low30.2Very low106 Ų106127 Ų12765%0.6576%0.764SS**  trans11.9134.216349.90000124.8
600Q28.6Very low30Very low176 Ų176127.3 Ų127.382%0.82277%0.766SS**  -119.4-170.296.8-58.6-166.87.100107.9
601G27.3Very low29.9Very low67 Ų67131.5 Ų131.569%0.69177%0.766SS**  cis157.9166.15.200000108.5
602L29.5Very low30.5Very low156 Ų156130.8 Ų130.882%0.81777%0.771SS**  cis-148.9-159.5-6.2-65.2178.3000108.5
603Q26.3Very low30.4Very low184 Ų184131.3 Ų131.386%0.8677%0.774SS**  trans-154.7179.8179.6-111.1-155.612.700111.1
604P41.5Very low31.4Very low113 Ų113130.8 Ų130.873%0.73477%0.768SS**  cis-133.5-167.78.941.5-22.2000116.3
605A29Very low31.5Very low87 Ų87133.6 Ų133.672%0.71976%0.764SS**  trans-110.6-178.2165.900000110.7
606P40.5Very low31.7Very low109 Ų109130.3 Ų130.371%0.70876%0.756SS**  -161.4-178.469.144.2-21.7000119.2
607I29.3Very low30.7Very low172 Ų172134.2 Ų134.288%0.88276%0.762SS**  trans47.2142.3145.3-66158.8000121.2
608G28Very low30.9Very low60 Ų60133.1 Ų133.162%0.61976%0.763SS**  cis163.5162.7-6.600000115.3
609T29.8Very low31Very low141 Ų141132 Ų13287%0.86577%0.766SS**  trans54.9127.2161.658.90000123.7
610Q25.2Very low30.8Very low197 Ų197131.6 Ų131.692%0.92177%0.772SS**  -174.2165.1108.9-144.9167.1112.500113.9
611Q26.1Very low30.9Very low158 Ų158130.1 Ų130.174%0.73878%0.775SS**  trans-96.1176170.5-129.8-171.7-4800110.4
612P40.6Very low31Very low124 Ų124132.6 Ų132.681%0.80578%0.777SS**  -143.2-168.151.538.4-15.4000116.6
613Q26.6Very low31.4Very low161 Ų161133 Ų13375%0.75278%0.779SS**  trans-100.5-178.8177.1-134.8-164-1600110.9
614P46.4Very low31.5Very low104 Ų104129.4 Ų129.468%0.67578%0.781SS**  -148171.45140.6-18.8000119.3
615E27.8Very low30.7Very low160 Ų160132 Ų13275%0.74879%0.788SS**  trans54.3143.7149.6-72.1177.3-148.400124
616G30.4Very low30.7Very low63 Ų63130.5 Ų130.565%0.64978%0.781SS**  cis164171.2-9.900000116.5
617K29.3Very low30.2Very low190 Ų190128.2 Ų128.283%0.82677%0.771SS**  trans80.9135169-56.3155.1-173.4161.40115.6
618T29.5Very low30.2Very low136 Ų136124 Ų12483%0.83475%0.753SS**  cis-138.4160.410.349.40000115.5
619S27.4Very low30.3Very low109 Ų109124.7 Ų124.776%0.76274%0.742SS**  trans-41156.1174.2-55.40000118.5
620A28.3Very low30.3Very low96 Ų96123.8 Ų123.879%0.79374%0.736SS**  cis80.7150.838.500000114.4
621V30.5Very low30.3Very low145 Ų145117.4 Ų117.488%0.87972%0.717SS**  cis-149.1-150.318.1780000114.2
622V29.4Very low30.3Very low119 Ų119115 Ų11572%0.72171%0.709SS**  trans-114.8162-157.1161.90000115
623L37.7Very low30Very low166 Ų166113.7 Ų113.787%0.86970%0.701SS**  trans-9.4142.6169.1-84.864.1000120.4
624A28.4Very low30Very low108 Ų108110.5 Ų110.589%0.89369%0.688SS**  trans-169.1175.6132.600000114
625D24.8Very low29Very low168 Ų168108.9 Ų108.990%0.89868%0.679SS**  trans-75.8-177.1-167.3-139.5-48.7000117
626G27.8Very low29Very low54 Ų54106 Ų10656%0.55767%0.669SS**  trans-84-161.9175.400000114.7
627A30.8Very low29.4Very low61 Ų61107.9 Ų107.950%0.50467%0.67SS.*  cis-154.9-157-300000108.2F488F488-A627 WeakPolarHBondContact O-CB 3.36Å
628T30Very low29.4Very low83 Ų83108 Ų10851%0.50967%0.67SS.*  trans163.5118.5148.1149.80000113.4F488F488-T628 CarbonylContact O-C 3.2Å; F488-T628 WeakPolarHBondContact O-CA 3.25Å; F488-T628 PolarHBondContact O-N 3.38Å
629I30.6Very low29.2Very low76 Ų76106.5 Ų106.539%0.3967%0.666SS.*  37.7113.3127-58-80.5000113.1F488 L489F488-I629 HydrophobicContact CB-CD1 3.5Å; F488-I629 HydrophobicContact CB-CG1 3.71Å; F488-I629 HydrophobicContact CD1-CB 3.25Å; F488-I629 HydrophobicContact CD1-CD1 2.3Å; F488-I629 HydrophobicContact CD1-CG1 2.3Å; F488-I629 HydrophobicContact CD1-CG2 4.33Å; F488-I629 HydrophobicContact CD2-CB 3.9Å; F488-I629 HydrophobicContact CD2-CD1 2.31Å; F488-I629 HydrophobicContact CD2-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CB 2.76Å; F488-I629 HydrophobicContact CE1-CD1 2.3Å; F488-I629 HydrophobicContact CE1-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CG2 3.25Å; F488-I629 HydrophobicContact CE2-CB 3.51Å; F488-I629 HydrophobicContact CE2-CD1 2.3Å; F488-I629 HydrophobicContact CE2-CG1 2.32Å; F488-I629 HydrophobicContact CE2-CG2 3.69Å; F488-I629 HydrophobicContact CG-CB 3.81Å; F488-I629 HydrophobicContact CG-CD1 2.3Å; F488-I629 HydrophobicContact CG-CG1 2.33Å; F488-I629 HydrophobicContact CZ-CB 2.91Å; F488-I629 HydrophobicContact CZ-CD1 2.3Å; F488-I629 HydrophobicContact CZ-CG1 2.31Å; F488-I629 HydrophobicContact CZ-CG2 2.82Å; F488-I629 PolarHBondContact O-N 3Å; L489-I629 VanDerWaalsContact O-CA 3.3Å; L489-I629 WeakPolarHBondContact O-CA 3.39Å; L489-I629 PolarHBondContact O-N 3.06Å
630V27.9Very low29.2Very low121 Ų121105.8 Ų105.873%0.73367%0.666SS**  cis-150.9-178.445.2-1280000109.7
631A26.9Very low28.9Very low64 Ų64105.9 Ų105.953%0.52967%0.667SS.*  cis-155.11685.600000111.4T491T491-A631 VanDerWaalsContact CB-O 3.26Å; T491-A631 WeakPolarHBondContact CB-O 3.44Å; T491-A631 PolarHBondContact OG1-O 3.05Å
632N26Very low29.4Very low106 Ų106104.4 Ų104.457%0.56766%0.661SS**  trans-107.9165.5-179.5-139-3.8000110.2T491T491-N632 WeakPolarHBondContact OG1-CA 3.36Å; T491-N632 PolarHBondContact OG1-N 2.82Å; T491-N632 PolarHBondContact OG1-OD1 3.04Å
633P34.7Very low29.1Very low98 Ų98103.5 Ų103.564%0.63667%0.666SS**  cis-118.4-178.441.835.7-17.4000113
634I26.3Very low28.5Very low94 Ų9499.4 Ų99.448%0.48266%0.656SS.*SBendcis-144.6115.628.3-59.6164.8000112.8P493 P494P493-I634 CarbonylContact C-O 3.58Å; P494-I634 WeakPolarHBondContact CD-O 3.22Å; P494-I634 HydrophobicContact CG-CG2 4.22Å
635S25.6Very low28.5Very low69 Ų69100.4 Ų100.448%0.48365%0.651SS.*  trans28.3102.6158.463.60000122.5
636N27.7Very low28.6Very low101 Ų10198.3 Ų98.354%0.5464%0.644SS.*  21.2165104.7-107.733.1000121.3
637P38.8Very low28.4Very low102 Ų102101.5 Ų101.566%0.66265%0.653SS**  cis-144.7161.512.643.1-23.8000120
638F27.7Very low28Very low191 Ų191104.2 Ų104.284%0.83866%0.663SS**  trans60.5159.3137.2-92.1-104.3000126.7
639S27.1Very low27.8Very low106 Ų106107.4 Ų107.474%0.74167%0.672SS**  trans-120.4171.3173-67.90000111.8
640A25.8Very low27.6Very low93 Ų93109.4 Ų109.477%0.76969%0.688SS**  trans74.6108.2152.500000121
641A22Very low27.3Very low98 Ų98112 Ų11281%0.8169%0.692SS**  trans64.3-175.514100000117.7
642P41.7Very low27.2Very low115 Ų115112.3 Ų112.375%0.74769%0.69SS**  -120.9177.3-57.534.4-22.9000113
643A23.6Very low27.1Very low100 Ų100115.8 Ų115.883%0.82670%0.703SS**  trans64.9173.915800000117.2
644A25.4Very low26.5Very low80 Ų80115.8 Ų115.866%0.66171%0.705SS**  cis-163.1156.5-47.800000110.9
645T26.6Very low26.5Very low129 Ų129115.9 Ų115.979%0.79172%0.72SS**  trans70.3162.9157-39.30000117.5
646T27.2Very low26.5Very low123 Ų123117 Ų11776%0.75573%0.728SS**  trans85.9131.3155.1-41.30000116.9
647V23.3Very low26.7Very low121 Ų121118 Ų11873%0.73374%0.737SS**  cis-168.4166.7-26.775.20000108.5
648V23.4Very low26.2Very low119 Ų119120.7 Ų120.772%0.72175%0.746SS**  trans71.1151.1156.81530000117.1
649Q26.5Very low26.2Very low150 Ų150115.6 Ų115.670%0.70174%0.74SS**  cis-173.6161.7-18.2177.4166.6-44.800111.1
650T24.7Very low27Very low117 Ų117117 Ų11772%0.71875%0.746SS**  trans66.6137.6165.1360000118
651H23Very low27.3Very low177 Ų177117.3 Ų117.382%0.81975%0.749SS**  68.6132.764.5-118.267.6000112.3
652S23.8Very low27.5Very low70 Ų70122 Ų12249%0.4975%0.754SS.*  cis-171.9173-2.656.20000111.9
653Q24.1Very low26.8Very low179 Ų179119.7 Ų119.784%0.83675%0.751SS**  trans67.9162.3157.8-72.3170.2100.800116.5
654S22.9Very low26.9Very low98 Ų98121.4 Ų121.469%0.68576%0.757SS**  cis-171.6156.1-17.648.80000111.5
655A25.1Very low27.7Very low95 Ų95122.8 Ų122.879%0.78576%0.762SS**  trans63.9159.9148.800000120.1
656S26.5Very low28.1Very low94 Ų94121.9 Ų121.966%0.65776%0.758SS**  cis-170.7164.6-25.956.40000112.4
657T31.1Very low28.2Very low120 Ų120127.3 Ų127.374%0.73677%0.765SS**  trans65154.6153.544.10000119.1
658N29.3Very low29.2Very low160 Ų160127.4 Ų127.486%0.85677%0.768SS**  cis-146.9177.78.8-127.1-5.3000112.5
659A27.2Very low29.4Very low84 Ų84127.4 Ų127.469%0.69477%0.773SS**  trans-121.3170.1-177.300000113.6
660P44.6Very low30Very low134 Ų134127.5 Ų127.587%0.8778%0.777SS**  -134.3-170.991.540.9-31.2000114
661A30.5Very low30.2Very low101 Ų101127.8 Ų127.884%0.83577%0.773SS**  trans-155.5171.7-17900000114.3
662Q27.6Very low30.6Very low196 Ų196129.7 Ų129.792%0.91677%0.773SS**  trans-138.9154.5169.1-100.8-74.80.900109
663G26.9Very low30.8Very low67 Ų67136.4 Ų136.469%0.69179%0.794SS**SBendtrans97.2149.5176.100000116.2S665G663-S665 PolarHBondContact O-N 2.76Å
664S25.5Very low31Very low135 Ų135137 Ų13794%0.94479%0.793SS**SBendtrans-73.3120-166.3-170.80000114.9
665S41.9Very low32.2Very low109 Ų109137.6 Ų137.676%0.76280%0.795SS**  trans-160164.3167.1-126.30000106.1G663G663-S665 PolarHBondContact O-N 2.76Å
666P34.7Very low32.4Very low111 Ų111137.3 Ų137.372%0.72179%0.793SS**  cis-154.1-172.948.543.7-22.3000117
667R28.9Very low32.5Very low237 Ų237138.5 Ų138.589%0.89480%0.796SS**  trans45137.1144.3-104.4-172.3155.5136.8-2.2121.9
668P44.8Very low32.3Very low122 Ų122140.6 Ų140.679%0.79280%0.803SS**  trans-80.8157.816435.8-35.5000112.7
669S27.9Very low32.2Very low119 Ų119135.7 Ų135.783%0.83279%0.79SS**  trans-141.8140.2152.3-1730000110.6
670I39.1Very low32.3Very low153 Ų153140.9 Ų140.979%0.78580%0.802SS**  trans-73.5151.6169.4-68.8162.3000108.7
671L28.5Very low31.6Very low122 Ų122138.3 Ų138.364%0.63979%0.793SS**  157.8129.3119.9-168.760000116.2
672R32.1Very low31.5Very low217 Ų217139.2 Ų139.282%0.81979%0.788SS**  trans72.6139.8155.8-78.2162.7-1681560.5123.1
673K28.1Very low31.8Very low212 Ų212140.6 Ų140.692%0.92278%0.784SS**  trans94.2158.1142.7-113.7-178178.5-175.20121.4
674K26.9Very low31.9Very low190 Ų190146 Ų14683%0.82679%0.789SS**  trans-102.2-168.3179.9-62.5-173.8175.5-172.30109.9
675P49.4Very low32.1Very low112 Ų112145.1 Ų145.173%0.72778%0.778SS**  -127.6-167.8-66.239-22.5000111.5
676A28.8Very low31.4Very low89 Ų89147.7 Ų147.774%0.73678%0.782SS**  trans64.9173.9157.500000116
677T28Very low31.4Very low118 Ų118149.4 Ų149.472%0.72478%0.784SS**  cis-169163.8-36.7-79.90000106
678D28.3Very low31.7Very low164 Ų164143.7 Ų143.788%0.87778%0.777SS**  trans67.5155.3174.9-71.4-49.8000118.1
679G27.5Very low31.7Very low57 Ų57143.2 Ų143.259%0.58877%0.774SS**  cis169.7152.8-9.400000114.5
680M28Very low31.5Very low193 Ų193146.6 Ų146.695%0.95178%0.777SS**  trans63.6169.9173.7-44.8-167.3-69.300116.1
681A29.7Very low31.9Very low81 Ų81144.8 Ų144.867%0.66978%0.775SS**  cis-151.51331.200000110.8
682V29.3Very low32.7Very low120 Ų120143.8 Ų143.873%0.72778%0.776SS**  93.6155.386.9171.40000115.4
683R32.9Very low32.5Very low224 Ų224140.3 Ų140.385%0.84577%0.774SS**  trans80.2142.7175.5-36.1-179.1-162.1-102.3-8.4114.7
684K30.7Very low32.7Very low180 Ų180136.5 Ų136.578%0.78377%0.768SS**  cis-142.7133.911.5-81-167.1179.1-178.20109.8
685T28.9Very low32.7Very low118 Ų118131.7 Ų131.772%0.72476%0.764SS**  57135.379.567.50000115.3
686L26.6Very low31.8Very low162 Ų162132.3 Ų132.385%0.84877%0.771SS**  cis-158.7172.48.2-150.871.6000112.7
687I34.2Very low33.1Very low147 Ų147134.3 Ų134.375%0.75478%0.776SS**  trans-103.2157.5169.7-34.7175.2000109.3
688P35.4Very low33.2Very low117 Ų117139 Ų13976%0.7678%0.781SS**  -153.8-168.8110.643.3-23.3000114.3
689P44.9Very low33.4Very low112 Ų112138.3 Ų138.373%0.72778%0.782SS**  -143.4166-77.644.5-26.4000119.6
690Q24.7Very low33.4Very low191 Ų191143.2 Ų143.289%0.89379%0.79SS**  trans71.8156.9146.3-78.2-157.9-19.500126.3
691P46.1Very low33.5Very low115 Ų115139.3 Ų139.375%0.74778%0.781SS**  trans-112.7-118.1-17237.8-15.8000114
692P45.8Very low33.5Very low101 Ų101140 Ų14066%0.65678%0.781SS**  cis-142.2-169.711.146.7-25000119
693D28.6Very low33.6Very low143 Ų143142 Ų14277%0.76578%0.784SS**  trans78.6126.1143.9-74.7-47000130.3
694V32.8Very low33.6Very low133 Ų133142.2 Ų142.281%0.80679%0.785SS**  trans43.8125.7133.2175.60000125.5
695A26.9Very low33.5Very low89 Ų89137.6 Ų137.674%0.73678%0.776SS**  -172.5152.3129.900000111.9
696S30.3Very low33.7Very low124 Ų124138.8 Ų138.887%0.86778%0.783SS**  trans-165.2149.5175.3-80.90000116.4
697P55.1Low33.9Very low132 Ų132137 Ų13786%0.85778%0.784SS**  trans-108.5-166.5179.541.9-35.9000116
698R29.7Very low33.6Very low216 Ų216133.6 Ų133.682%0.81579%0.785SS**  trans-159.1147.8-161.4167.4-173.4-178172.42.4112.5
699V33.1Very low33.3Very low149 Ų149133.7 Ų133.790%0.90379%0.789SS**  trans174.4-174.5139.5-83.80000111.8
700E28.3Very low33.6Very low161 Ų161134 Ų13475%0.75279%0.791SS**  trans-152158.1-136.7-176.1166.7179.700118.5
701S28.7Very low33.8Very low110 Ų110136 Ų13677%0.76979%0.79SS**  trans73.4163.8163-81.30000122.2
702S30.1Very low33.9Very low95 Ų95135.8 Ų135.866%0.66479%0.789SS**  cis-175.5177-33.1-165.40000113.9
703M32.3Very low33Very low162 Ų162136 Ų13680%0.79880%0.799SS**  trans77.9126.7157.3-59.9-67.5-178.600125.7
704R32.7Very low32.9Very low229 Ų229133 Ų13386%0.86480%0.802SS**  trans51.5174.7140.6-76.3-165.4162.8-148.8-2.1122.9
705S29.5Very low32.7Very low84 Ų84131.8 Ų131.859%0.58781%0.806SS**  cis-179.3162.7-48.4-81.70000111.5
706T31.9Very low32.8Very low142 Ų142137.1 Ų137.187%0.87181%0.812SS**  trans67.9169.7168.571.80000116.9
707S30.5Very low33.5Very low125 Ų125137.2 Ų137.287%0.87481%0.81SS**  cis-170.6154.9-35177.30000108.3
708G28Very low32.1Very low76 Ų76139.9 Ų139.978%0.78481%0.808SS**  trans170.5146.9172.500000120
709S28.7Very low32.2Very low118 Ų118134.3 Ų134.383%0.82580%0.802SS**  trans-158.9164173.2-165.90000106.6
710P51.8Low31.8Very low119 Ų119134 Ų13477%0.77379%0.791SS**  cis-142.3-155.316.244.5-22.2000116.4
711R29.2Very low32.1Very low233 Ų233133.1 Ų133.188%0.87979%0.79SS**  trans-28.8177.1161.5-106.7-173172.1-169.4-1.5119.4
712P47.6Very low32Very low110 Ų110134.8 Ų134.871%0.71479%0.785SS**  cis-147.3169.512.940.7-19.1000121.7
713A27.5Very low32Very low106 Ų106136.6 Ų136.688%0.87679%0.792SS**  trans51.1146.2135.100000128
714G27Very low31.8Very low80 Ų80133.8 Ų133.883%0.82579%0.789SS**  trans103.4152154.800000117.2
715A28.2Very low31.6Very low107 Ų107131.2 Ų131.288%0.88479%0.788SS**  cis-160.9179.9-16.600000112.2
716K28.6Very low31.6Very low202 Ų202131 Ų13188%0.87879%0.791SS**  trans-88.4-169.2-178-55.8177.4178.3175.60111.9
717P44.7Very low31.5Very low126 Ų126129.5 Ų129.582%0.81878%0.783SS**  cis-146.2-138.89.646-21.7000117.5
718K25.5Very low32.9Very low187 Ų187129.3 Ų129.381%0.81378%0.778SS**  trans-68.5-175.9-174.7-56.4176.9176.6-177.20113.9
719S32.3Very low32.8Very low99 Ų99132.4 Ų132.469%0.69278%0.781SS**  cis-167150.132.3-18.50000109.8
720E25.3Very low32.9Very low143 Ų143131.8 Ų131.867%0.66877%0.773SS**  93.9163.477.5-159.5-174.2144.400114.7H722E720-H722 WeakPolarHBondContact CG-CE1 3.24Å; E720-H722 IonicContact OE1-CE1 3.23Å
721I33.2Very low31.9Very low142 Ų142132 Ų13273%0.72877%0.772SS**  trans88.2104.4167.9-54.4-179000114.7
722H28Very low31.9Very low145 Ų145125.4 Ų125.467%0.67176%0.762SS**  cis85.6136.231.4-47.8158.5000113.5E720E720-H722 WeakPolarHBondContact CG-CE1 3.24Å; E720-H722 IonicContact OE1-CE1 3.23Å
723V29.5Very low31Very low133 Ų133127 Ų12781%0.80676%0.761SS**  cis-159.6154.1-9.955.60000109.7
724S28Very low31Very low104 Ų104129.4 Ų129.473%0.72775%0.754SS**  trans-169.8161177.3-79.60000109.7
725M28.9Very low31Very low174 Ų174131.6 Ų131.686%0.85775%0.752SS**  cis-169.5158.6-18.2-100.7-49.3-176.700106.1
726A29.9Very low30.8Very low79 Ų79132.7 Ų132.765%0.65375%0.747SS**  cis-150.8-104.2-6.200000110.6
727T30.1Very low30.5Very low112 Ų112127.6 Ų127.669%0.68774%0.737SS**  trans-156.6167.1-171.347.20000108.7T730T727-T730 HydrophobicContact CG2-CG2 4.38Å
728P58.8Low29.4Very low120 Ų120128.9 Ų128.978%0.77974%0.737SS**SBendcis-101.9-172.33.943.2-36.6000112
729V26.2Very low29.4Very low141 Ų141128.1 Ų128.186%0.85574%0.736SS**SBendcis-115.6135.62.2178.20000109.5
730T31Very low29.1Very low105 Ų105130.4 Ų130.464%0.64474%0.741SS**  trans-99.2174.7-172.7470000112.2T727T727-T730 HydrophobicContact CG2-CG2 4.38Å
731V30.3Very low29.2Very low124 Ų124129.4 Ų129.475%0.75274%0.74SS**  cis-139-155.717-138.80000108.5
732S28.6Very low29Very low95 Ų95128.7 Ų128.766%0.66474%0.738SS**  cis-167.4166.42.8-1180000107.8
733M30.2Very low29Very low142 Ų142130.1 Ų130.170%0.775%0.745SS**  cis-166.4150.1-24.8-120.9-177.372.700109
734E27.4Very low29.6Very low157 Ų157128.3 Ų128.373%0.73474%0.736SS**  trans57.1146.4167.8-111.4158.9117.800119.9
735T26.3Very low29.6Very low126 Ų126128.5 Ų128.577%0.77373%0.733SS**  cis90.1165.925.99.90000118.7
736V24.7Very low29.4Very low131 Ų131127.6 Ų127.679%0.79473%0.729SS**  trans-60.4153-145.5-131.10000120.1
737S22.4Very low29.4Very low94 Ų94127.9 Ų127.966%0.65773%0.732SS**  trans67.9119139.9-156.20000121.1
738N22.1Very low29.2Very low153 Ų153129 Ų12982%0.81874%0.738SS**  -167.6-177.2100.9-111.29.7000114.9
739Q25.5Very low28.1Very low171 Ų171128.8 Ų128.880%0.79974%0.737SS**  trans-91.6171.6-175.7-55.5172.45.200113.1
740N24.7Very low29Very low147 Ų147127.1 Ų127.179%0.78673%0.729SS**  trans65.5154.8172.8-8415.1000116
741N27.3Very low29.1Very low123 Ų123127.7 Ų127.766%0.65873%0.733SS**  cis-143.6-166.216.9-15066.7000113.3
742D28.8Very low29.5Very low126 Ų126123.9 Ų123.967%0.67471%0.714SS**  trans-59163.4-173.5-66.2-78.4000119.8
743Q27.8Very low29.8Very low176 Ų176123.4 Ų123.482%0.82270%0.701SS**  trans1.7169.6133.3-102.7-167.5-20.700121
744P43.2Very low30Very low95 Ų95124 Ų12462%0.61770%0.702SS**  cis-144.2-157.6-5.833.6-8.5000115
745T27.1Very low31.3Very low108 Ų108121.8 Ų121.866%0.66370%0.702SS**  trans75.6113.2140.2-68.30000118.4
746I26.1Very low32.4Very low154 Ų154121.4 Ų121.479%0.7970%0.701SS**  63126.683.7-59.4157.9000111.3
747A28.6Very low33.4Very low85 Ų85120.2 Ų120.270%0.70270%0.696SS**  cis-155.2162.448.600000110.7
748V26Very low33.7Very low136 Ų136121.6 Ų121.682%0.82470%0.701SS**  cis85.1133.448.8170.20000112.4
749P36.5Very low34.1Very low116 Ų116121.8 Ų121.875%0.75370%0.7SS**  -118.4-93.3-11426.2-7.1000124.8
750P44.9Very low34.8Very low105 Ų105119 Ų11968%0.68270%0.697SS**  -117.5-163.4-124.934.8-14000114.8
751T32.7Very low34.9Very low118 Ų118118.1 Ų118.172%0.72470%0.697SS**  cis-161.3-161.223-21.10000108.8
752A38.6Very low35Very low43 Ų43119.9 Ų119.936%0.35570%0.703SS.*  cis-166.6179.4-300000110.4Q171 V172Q171-A752 CarbonylContact C-O 2.93Å; Q171-A752 VanDerWaalsContact C-O 3.29Å; Q171-A752 WeakPolarHBondContact CA-O 3.34Å; Q171-A752 PolarHBondContact N-O 2.69Å; V172-A752 PolarHBondContact N-O 2.87Å
753Q34.5Very low35Very low86 Ų86121.2 Ų121.240%0.40271%0.709SS.*  trans62.5159.2164.6-45.1-162.36.300119.2G170 Q171 V172 T173G170-Q753 CarbonylContact C-O 3.3Å; G170-Q753 WeakPolarHBondContact CA-O 3.34Å; G170-Q753 PolarHBondContact N-O 2.85Å; Q171-Q753 PolarHBondContact N-O 3.1Å; Q171-Q753 VanDerWaalsContact N-O 3.1Å; V172-Q753 VanDerWaalsContact C-CD 3.48Å; V172-Q753 PolarHBondContact O-OE1 3.01Å; T173-Q753 PolarHBondContact O-NE2 3.17Å
754Q34.6Very low35Very low155 Ų155117.5 Ų117.572%0.72471%0.708SS**  cis-115.6175.77.4-97.3-163.3-6.700114
755P56Low34.2Very low110 Ų110118 Ų11871%0.71472%0.721SS**  trans-104.7-165.9-156.544.9-39.5000114
756P48.9Very low34.2Very low117 Ų117117.4 Ų117.476%0.7673%0.727SS**  cis-132.5-144.81.237.4-13.2000113.3
757P45.5Very low34.3Very low106 Ų106115.5 Ų115.569%0.68873%0.727SS**  -123.1134.6-63.327.9-8.7000117.4
758T29.3Very low35.4Very low124 Ų124117.2 Ų117.276%0.76173%0.731SS**  trans62.6144.7131-20.80000126
759I29.8Very low35.9Very low157 Ų157116.3 Ų116.381%0.80573%0.727SS**  trans81152.7158.326.8-178.8000121
760P40.8Very low35.6Very low113 Ų113116 Ų11673%0.73473%0.729SS**  -138.1-158.1-11047.8-28.9000115.3
761T26.3Very low35Very low128 Ų128120 Ų12079%0.78574%0.738SS**  trans-147.9109.7170.3-75.70000114.2
762M28.6Very low35.2Very low159 Ų159120.2 Ų120.278%0.78374%0.742SS**  trans68.3147.4139-73.8-123.5-69.700125.8
763I30.2Very low34.6Very low154 Ų154121.1 Ų121.179%0.7975%0.749SS**  trans77.8113.3154-65148.9000120
764A27.1Very low34.7Very low99 Ų99122.6 Ų122.682%0.81876%0.763SS**  trans-157.7165.4132.100000110.7
765A26.7Very low34.4Very low106 Ų106116.7 Ų116.788%0.87674%0.741SS**  trans-87171.6-165.100000116.2
766A27.5Very low33.1Very low95 Ų95118.8 Ų118.879%0.78575%0.746SS**  trans-152.1159.6163.300000113.2
767S27.6Very low32Very low114 Ų114118.5 Ų118.580%0.79775%0.746SS**  trans-141.4157.6160.7-74.80000107.7
768P51Low31.2Very low121 Ų121119.4 Ų119.479%0.78675%0.75SS**  trans-86.9166.7-149.935-38.5000115.1
769P37.7Very low31.4Very low116 Ų116120.7 Ų120.775%0.75375%0.751SS**  -148.4153.3108.238-22.1000118.2
770S29.9Very low32.2Very low111 Ų111119.3 Ų119.378%0.77675%0.752SS**  trans62.5128.1140.2-59.70000126.2
771Q32.4Very low31.6Very low187 Ų187117.3 Ų117.387%0.87475%0.752SS**  trans67.1145.9146.9-69.5-169.7-10.500122.6
772P36.5Very low31.6Very low124 Ų124116.3 Ų116.381%0.80576%0.757SS**  -142.8174.2126.640.7-28.1000114.9
773A26.3Very low31.7Very low61 Ų61115.4 Ų115.450%0.50476%0.76SS.*  trans-142.5-165.916500000111.7H197H197-A773 PolarHBondContact CE1-O 2.82Å; H197-A773 WeakPolarHBondContact NE2-CB 3.32Å
774V35.5Very low32.3Very low117 Ų117113.1 Ų113.171%0.70976%0.755SS**  trans-136.9155.1-148.3-175.40000114.2H197H197-V774 PolarHBondContact N-O 2.97Å; H197-V774 CarbonylContact O-C 3.29Å; H197-V774 WeakPolarHBondContact O-CA 3.01Å
775A28.4Very low32.3Very low32 Ų32115.9 Ų115.926%0.26475%0.754SS.*  trans-165.7-151.715400000115.3H197 P198H197-A775 PolarHBondContact O-N 3.1Å; P198-A775 WeakPolarHBondContact CG-O 3.33Å
776L29.1Very low32.2Very low154 Ų154116.7 Ų116.781%0.80675%0.749SS**  trans-130.3167.7-165.6-65.764.2000109.8
777S25.8Very low33.1Very low110 Ų110117.7 Ų117.777%0.76975%0.747SS**  trans-147.5156.4134-143.70000106.5
778T28Very low34.1Very low125 Ų125116.9 Ų116.977%0.76774%0.739SS**  cis-145.516317.8-51.30000109.6
779I35.1Very low33.1Very low151 Ų151118.4 Ų118.477%0.77474%0.739SS**  trans-140.1175.2-17663.3171.5000110.7
780P46.7Very low32.6Very low128 Ų128118.6 Ų118.683%0.83174%0.738SS**  cis-130.3-165.7-2.243.7-27.2000114
781G27.3Very low32.8Very low71 Ų71118.8 Ų118.873%0.73274%0.735SS**  trans175.199.8164.600000118.7
782A25.7Very low32.7Very low108 Ų108117.9 Ų117.989%0.89373%0.734SS**  trans62.5157155.300000122.9
783V31.5Very low32.3Very low140 Ų140116.3 Ų116.385%0.84873%0.732SS**  trans-132.6174.7175.7-99.20000107.6
784P41.9Very low32.4Very low105 Ų105118.1 Ų118.168%0.68275%0.747SS**  cis-138.3-154.4926.31.9000114.6
785I27.2Very low32Very low158 Ų158117 Ų11781%0.8175%0.749SS**  trans100.6150.7153.9-55.7159.3000118.3
786T24.7Very low33Very low123 Ų123121 Ų12176%0.75577%0.773SS**  trans-143.7178.4-169.853.20000111.7
787P47.5Very low33.9Very low115 Ų115119 Ų11975%0.74777%0.769SS**  cis-129-24.7-1912.99.8000124.7
788P48.3Very low34.7Very low97 Ų97118.7 Ų118.763%0.6377%0.765SS**  -132.3159.4-122.143-27.8000120.8
789I28.8Very low34.7Very low153 Ų153117.7 Ų117.779%0.78576%0.762SS**  trans70.8144.4149.3-71.5164.7000117
790T28.6Very low34.4Very low120 Ų120117 Ų11774%0.73677%0.765SS**  cis-140.114513.3-150000107.7
791T33.1Very low33.5Very low116 Ų116116.8 Ų116.871%0.71276%0.762SS**  cis72.3135.240.9-44.40000112.8
792I29.8Very low33.5Very low167 Ų167120 Ų12086%0.85677%0.766SS**  cis-101.9-143.98.8-13176.8000111.8
793A28.1Very low33.5Very low92 Ų92118.6 Ų118.676%0.7676%0.763SS**  cis-146.7-159.74.600000108.7
794A28.5Very low33.3Very low99 Ų99115.4 Ų115.482%0.81876%0.758SS**  cis-158.8-179.91.500000110
795A28.3Very low32.7Very low92 Ų92116.2 Ų116.276%0.7677%0.766SS**  trans-160.7-170.3-177.400000113.8
796P48.3Very low32.7Very low116 Ų116116.9 Ų116.975%0.75377%0.771SS**  -133.8-148.4-72.142.5-24.4000112.2
797P48.8Very low32.8Very low114 Ų114116.5 Ų116.574%0.7477%0.773SS**  cis-121.7-36.4-3417.9-0.5000124.8
798P41.9Very low31.7Very low103 Ų103115.8 Ų115.867%0.66977%0.771SS**  -130151.1-114.240.9-25.7000122.2
799S27.8Very low30.7Very low103 Ų103117.9 Ų117.972%0.7278%0.782SS**  trans61.7114.3137.166.70000125.9
800V29.2Very low30.7Very low137 Ų137118.6 Ų118.683%0.8379%0.786SS**  trans37.2145142-580000125.3
801T27.8Very low30.5Very low124 Ų124116.3 Ų116.376%0.76179%0.786SS**  trans118.3117.6139.6-44.60000118.9
802V28Very low30.7Very low137 Ų137116.7 Ų116.783%0.8379%0.791SS**  trans18.1118.5151.6-1720000121.4
803G25.9Very low30.7Very low80 Ų80114.1 Ų114.183%0.82579%0.785SS**  trans72.5138.9133.600000119.9
804G27.8Very low30.8Very low72 Ų72116.3 Ų116.374%0.74279%0.789SS**  cis176.1164-4.900000112.5
805S28.5Very low31.2Very low122 Ų122117.6 Ų117.685%0.85379%0.789SS**  trans61.999.8172.6-600000118.4
806L26.6Very low31.1Very low173 Ų173121.4 Ų121.491%0.90679%0.791SS**  -174.5144.2112.9-98.7175.8000112.3
807S26.2Very low30.1Very low114 Ų114123.9 Ų123.980%0.79780%0.796SS**  trans72.2164.1163.3-150.50000120.1
808S25.2Very low29.2Very low101 Ų101125.1 Ų125.171%0.70679%0.79SS**  trans66112.3173.461.40000120.5
809V27.8Very low28.8Very low141 Ų141126.2 Ų126.286%0.85579%0.794SS**  trans66.1114132.7-179.90000119
810L28.1Very low28.8Very low167 Ų167128.6 Ų128.687%0.87479%0.792SS**  trans-64.9154.4161.4-74.587.7000111.5
811G25.4Very low29Very low72 Ų72127.3 Ų127.374%0.74278%0.777SS**  trans-83.8-138.9-178.200000116.5
812P35.7Very low28.7Very low125 Ų125130.9 Ų130.981%0.81279%0.785SS**  trans-98.6-170.9-151.443.3-42.1000113.7
813P31.5Very low29.1Very low113 Ų113130.5 Ų130.573%0.73478%0.782SS**  cis-125.5-174.3-13.21511000114.1
814V30.2Very low29.2Very low137 Ų137133.7 Ų133.783%0.8378%0.775SS**  trans1.2127.4155.9-173.20000117.9
815P35.3Very low30.4Very low127 Ų127135.3 Ų135.383%0.82577%0.773SS**  trans-83.2155.8-172.634-37.2000116.6
816E26.9Very low30.6Very low172 Ų172136.2 Ų136.280%0.80477%0.766SS**  trans-99.5166.7176.3177.2-176.2-140.500111.5
817I27Very low30.7Very low167 Ų167134.2 Ų134.286%0.85676%0.756SS**  trans-106.8114.7169.7-41.1179.1000110.7
818K30.7Very low30.8Very low141 Ų141135 Ų13561%0.61375%0.75SS**  trans-73.7-172.9173.4-75.7-171.9163.7-159.10112.3E821K818-E821 IonicContact NZ-OE2 3.73Å; K818-E821 PolarHBondContact NZ-OE2 2.88Å
819V32.5Very low31Very low126 Ų126136.8 Ų136.876%0.76475%0.749SS**  -179.214854.9173.40000106.8
820K29.6Very low31.1Very low153 Ų153140 Ų14067%0.66575%0.745SS**  cis-140165-1.1-129.1-166.6172.7-54.90108.1
821E33.5Very low31.7Very low110 Ų110137.1 Ų137.151%0.51474%0.736SS.*  cis86.389.97.5170.8-143.39500117.3K818K818-E821 IonicContact NZ-OE2 3.73Å; K818-E821 PolarHBondContact NZ-OE2 2.88Å
822E21.1Very low31.8Very low199 Ų199140 Ų14093%0.9374%0.739SS**  trans-135.1143.1160.6-161.4-176.7124.500112.1
823V36.4Very low31.4Very low128 Ų128139.6 Ų139.678%0.77674%0.74SS**  trans-166.1151.9-179.263.90000109.3
824E27.4Very low31.2Very low147 Ų147138.7 Ų138.769%0.68774%0.742SS**  trans164.4165.9156.9-95.5-89.687.600110.2
825P53.8Low31.1Very low106 Ų106138.8 Ų138.869%0.68874%0.742SS**  cis-134.5161.7-636.8-17.5000118.8
826M31.9Very low31.3Very low142 Ų142138 Ų13870%0.774%0.737SS**  trans58.8119.5142.2-105.260178.700127.5
827D28.3Very low32.4Very low131 Ų131134.9 Ų134.970%0.70173%0.732SS**  120.7149.9104.2-118.9-22.3000125.8
828I29.6Very low32.4Very low131 Ų131135 Ų13567%0.67273%0.733SS**  trans7599.8149.6-78.8154.7000124.5
829M29.1Very low32.2Very low138 Ų138132.4 Ų132.468%0.6874%0.738SS**  65.7118.4128.4-63.4178.930.400127.8
830R28.4Very low32Very low209 Ų209133.4 Ų133.479%0.78974%0.744SS**  71.8164.3127.9-76-167.3165.292.6-4.4121.9
831P42.5Very low31.8Very low105 Ų105133 Ų13368%0.68275%0.75SS**  cis-148.7175.2-49.544.2-25.9000118.6
832V26.3Very low32Very low132 Ų132134 Ų13480%0.876%0.763SS**  trans88.3136.4137.2146.50000125.5
833S27Very low32.3Very low118 Ų118131.3 Ų131.383%0.82576%0.76SS**  trans64.8155159-77.10000121.1
834A27.3Very low32.1Very low94 Ų94130.6 Ų130.678%0.77776%0.761SS**  cis-142.3-1561800000114.8
835V28.4Very low32.7Very low139 Ų139128.9 Ų128.984%0.84276%0.762SS**  trans-116.8-155.7-164-141.30000113.3
836P39.7Very low31.2Very low110 Ų110128.3 Ų128.371%0.71476%0.761SS**  trans-118.9-139.4-142.444.4-22.7000112.2
837P50.4Low30.9Very low107 Ų107129.3 Ų129.370%0.69577%0.768SS**  -116.5165.8-53.435.3-21.9000112.5
838L25.8Very low30.9Very low170 Ų170127.6 Ų127.689%0.8977%0.767SS**  trans-162.7161.6143.7-142.959.1000113.5
839A28.2Very low30.8Very low86 Ų86129 Ų12971%0.71178%0.775SS**  trans-111.5150169.300000110.8
840T27.5Very low30.8Very low146 Ų146130.2 Ų130.290%0.89678%0.783SS**  trans-161.2162.6158.58.50000111.7
841N25.7Very low30.7Very low146 Ų146123.8 Ų123.878%0.78178%0.775SS**  trans-76.2139.5-175.5-83.4-58.5000114.1V843N841-V843 PolarHBondContact O-N 2.89Å
842T36.4Very low30.1Very low130 Ų130125.3 Ų125.380%0.79878%0.777SS**  trans-0.7106.6135.4-48.80000117
843V27.4Very low30.3Very low143 Ų143126.5 Ų126.587%0.86778%0.779SS**  trans-151.9149.1138-103.10000110.4N841N841-V843 PolarHBondContact O-N 2.89Å
844S33.7Very low30.3Very low112 Ų112127.7 Ų127.778%0.78378%0.775SS**  trans-67.7174.8174.9-43.30000111.8
845P39.3Very low30.3Very low111 Ų111127.7 Ų127.772%0.72177%0.77SS**  cis-147.8-158.622.239.5-14.9000116
846S22.4Very low30.4Very low95 Ų95128.1 Ų128.166%0.66476%0.764SS**  trans58110154.347.20000118.9
847L26Very low30.4Very low162 Ų162128.9 Ų128.985%0.84877%0.769SS**  92.1124.172.5-95174.3000115.1
848S27.6Very low29.5Very low96 Ų96129.1 Ų129.167%0.67177%0.769SS**  trans95.6158152-40.60000119.6
849L26.8Very low29.8Very low160 Ų160126 Ų12684%0.83876%0.761SS**  trans71.3140.8177.8-75.368.6000115.3
850L30Very low29.7Very low163 Ų163128.5 Ų128.585%0.85376%0.763SS**  cis-141.4163.8-5.1-162.466.6000110.9
851A26.2Very low30.1Very low75 Ų75128.4 Ų128.462%0.6276%0.756SS**  trans-99.5-177.9175.800000112.9
852N30.6Very low30.6Very low136 Ų136127.1 Ų127.173%0.72776%0.756SS**  trans74.8139.4176.8-64.4-11000114.7
853N28.9Very low31Very low157 Ų157127.1 Ų127.184%0.8476%0.758SS**  cis-130.417547-85.3-60.8000118.5
854L28.9Very low31.1Very low143 Ų143123.9 Ų123.975%0.74975%0.754SS**  trans-71.9172.3-172.3-81.260.5000114.6
855S25.9Very low31.2Very low94 Ų94123.7 Ų123.766%0.65776%0.759SS**  cis175.7129.7-23.6178.30000112.2
856M31.8Very low31.1Very low148 Ų148123.7 Ų123.773%0.72976%0.762SS**  trans62.7158.4145.9-76.6-59.6-171.800120.2T858M856-T858 HydrophobicContact CE-CG2 4.28Å; M856-T858 HydrophobicContact SD-CG2 3.84Å
857P38.2Very low32.2Very low126 Ų126125.3 Ų125.382%0.81877%0.77SS**  cis-134.7177.848.135.7-13.4000119.1
858T32Very low32.8Very low113 Ų113129.1 Ų129.169%0.69377%0.773SS**  trans-131.9-177.7-175.146.10000109.5M856M856-T858 HydrophobicContact CE-CG2 4.28Å; M856-T858 HydrophobicContact SD-CG2 3.84Å
859S32.7Very low33.4Very low103 Ų103134.4 Ų134.472%0.7278%0.784SS**  cis-148.8-151.519.2-144.20000109.4
860D26.3Very low34.3Very low139 Ų139136 Ų13674%0.74378%0.784SS**  cis-149.3145.412.3-167.429.4000113.9
861L34.8Very low35.2Very low145 Ų145134.6 Ų134.676%0.75978%0.784SS**  trans-156.5137.7171.8-86.6178.9000110.3
862P37.2Very low36.4Very low119 Ų119141.9 Ų141.977%0.77380%0.796SS**PPolyproline II helixtrans-71.4136.6-178.827.7-34000112.6
863P43.4Very low37Very low129 Ų129145.1 Ų145.184%0.83880%0.804SS**PPolyproline II helixtrans-86.5152-163.7-12.130.7000115.7
864G31Very low37.5Very low76 Ų76145.4 Ų145.478%0.78480%0.8SS**PPolyproline II helixtrans-77.1144.2169.300000113.4
865A36.2Very low37.9Very low108 Ų108146.9 Ų146.989%0.89380%0.803SS**PPolyproline II helixtrans-80.8127.3-179.600000112.7
866S37.1Very low38.1Very low111 Ų111150.7 Ų150.778%0.77681%0.81SS**PPolyproline II helixtrans-90.3143.6179.5-174.80000112.7R868S866-R868 PolarHBondContact O-N 2.88Å
867P44.3Very low38.3Very low128 Ų128149.5 Ų149.583%0.83181%0.811SS**PPolyproline II helixtrans-77122.8-174-1127.7000112.8
868R39.3Very low38.1Very low242 Ų242150.2 Ų150.291%0.91381%0.806SS**  trans-129.8112.4173.5-148.9176.6-165.2-163.35.8112.7S866S866-R868 PolarHBondContact O-N 2.88Å
869K39.1Very low38.2Very low208 Ų208149.9 Ų149.990%0.90481%0.809SS**  trans-81.5129172.3-68-179.2178.7178.30111
870K47Very low38.5Very low193 Ų193151 Ų15184%0.83981%0.811SS**  trans-143.9134.4144.1-80.8-161.1175.4-173.40108.9
871P47.9Very low39.2Very low133 Ų133152.9 Ų152.986%0.86482%0.816SS**  trans-78.7125.2176.931.1-32.4000110.5
872R51.8Low39.3Very low228 Ų228155.4 Ų155.486%0.8682%0.823SS**  trans-94.3111.4171.8-173.1172.7-176.3156.60.5109Q874R872-Q874 PolarHBondContact O-N 3.43Å
873K43.2Very low39.1Very low205 Ų205153.3 Ų153.389%0.89182%0.823SS**  trans-58.1123.6165.7-80.9-175174.7-1780109.1
874Q39.7Very low38.6Very low162 Ų162154.6 Ų154.676%0.75782%0.823SS**  trans-139.1124.3135.3-74.8-162.4-42.800109.1R872R872-Q874 PolarHBondContact O-N 3.43Å
875Q37.5Very low38.8Very low175 Ų175158.8 Ų158.882%0.81882%0.824SS**  trans25.6121.5163.5-72.5156-31.800120.4
876H29.8Very low39Very low173 Ų173161.1 Ų161.180%0.80182%0.819SS**  trans-57.6132.9142-84.9-130.3000109
877V35.7Very low38.9Very low124 Ų124163.1 Ų163.175%0.75282%0.816SS**  trans-116.3125.9142.7175.90000105.5
878I33.9Very low38.3Very low140 Ų140163.1 Ų163.172%0.71881%0.813SS**  trans-89.8114.3174.3-62170.4000106.5
879S35.3Very low37.9Very low107 Ų107159.8 Ų159.875%0.74881%0.814SS**  trans-111.5129.5158.7-63.90000107.4
880T38.8Very low37.5Very low125 Ų125155 Ų15577%0.76781%0.807SS**  trans-74.2175.6177.643.30000111.9
881E41Very low37Very low180 Ų180152 Ų15284%0.84180%0.804SS**SBendtrans-70.7-175.1-170.765.5-137.4122.800116.4
882E35.7Very low36.2Very low198 Ų198151.9 Ų151.993%0.92580%0.797SS**  trans81.5110.4-178.5-156.2175.8160.500115.9
883G33.1Very low35.4Very low75 Ų75148 Ų14877%0.77379%0.793SS**  trans-172.527.7-170.500000118.2
884D32.8Very low35Very low155 Ų155146.1 Ų146.183%0.82979%0.787SS**  trans59.4176164.4-143.3-6.9000119.6
885M34.8Very low34.9Very low165 Ų165146.9 Ų146.981%0.81379%0.788SS**  trans-82.8157.3-171.8-52.8174.6-160.600113.6
886M40.2Very low34.4Very low157 Ų157144 Ų14477%0.77379%0.787SS**  -166.8127.6121.6-88.5-129.9161.400113.9
887E35.3Very low34.3Very low153 Ų153142.5 Ų142.572%0.71579%0.79SS**  trans49.6107.2133.2-54.7-169.9162.500119.4
888T31.9Very low34Very low127 Ų127141.1 Ų141.178%0.77979%0.792SS**  60.5127.674.966.10000116S890T888-S890 PolarHBondContact O-N 3.46Å
889N32.3Very low34Very low173 Ų173144.6 Ų144.693%0.92580%0.802SS**  trans-63.3123.9177.6-49.4-73.5000112.2
890S30.7Very low33.6Very low108 Ų108145.4 Ų145.476%0.75581%0.808SS**  trans-151141.4151-165.40000110.2T888T888-S890 PolarHBondContact O-N 3.46Å
891T34.5Very low33.1Very low128 Ų128146.6 Ų146.679%0.78581%0.809SS**  trans-122114167.5-63.70000106.9
892D32.5Very low32.6Very low132 Ų132145.2 Ų145.271%0.70681%0.806SS**  trans-134.9131.3167.9-169.957.5000107.9
893D34.6Very low32.4Very low146 Ų146142.4 Ų142.478%0.78180%0.802SS**  trans-126.952.1-167.1-109.5-55.4000109.9K895D893-K895 PolarHBondContact O-N 3.47Å
894E35.3Very low32.5Very low165 Ų165148 Ų14877%0.77181%0.805SS**  trans-74.889.1174.2-95.4-75.678.800111.4
895K36.5Very low32.8Very low178 Ų178144.9 Ų144.977%0.77480%0.802SS**  trans-75.2125169.580.6-165.9-175.7-52.30110D893D893-K895 PolarHBondContact O-N 3.47Å
896S26.7Very low32.6Very low115 Ų115143.9 Ų143.980%0.80480%0.795SS**  trans-129.8129.1163.4-1710000110.3
897T29.1Very low32.3Very low141 Ų141145 Ų14587%0.86580%0.795SS**  trans-127.597.1-177.5-58.40000109
898A29.9Very low32.8Very low95 Ų95149.2 Ų149.279%0.78581%0.805SS**  trans-151.8142.616500000111.4
899K33.2Very low32.9Very low213 Ų213153.1 Ų153.193%0.92681%0.811SS**  trans-77.2152.9177.7-54167.8-176177.40109.8
900S26.3Very low33.3Very low125 Ų125149.8 Ų149.887%0.87480%0.801SS**  trans-134.8156.5152.1-1650000109.8
901L29.1Very low34Very low149 Ų149150.1 Ų150.178%0.7880%0.8SS**  trans-135.1148.6-166.2-142.8170.7000108.2
902L29.6Very low34.9Very low151 Ų151150.1 Ų150.179%0.79180%0.803SS**  trans67.2153.9-175.3-107.161.6000113.3
903V32.7Very low35.6Very low139 Ų139153.6 Ų153.684%0.84281%0.812SS**  cis-126.8172.320.6177.60000112.1
904K34.7Very low36.6Very low192 Ų192152 Ų15284%0.83580%0.8SS**  trans-99.6140.6-166.2174.8-173.5179.6-175.90114.3
905A39.4Very low37.5Very low91 Ų91151.2 Ų151.275%0.75279%0.79SS**  trans64.2158.7164.600000116.7
906E29.8Very low38.5Very low144 Ų144146.5 Ų146.567%0.67377%0.773SS**  cis-155.2167.427.9-153.7-152115.500114
907K34Very low40.3Very low180 Ų180142.2 Ų142.278%0.78374%0.741SS**  trans62.7129.7160.7-103.1177-165.7100.20121.4
908R45.2Very low41.9Very low241 Ų241142.7 Ų142.791%0.90973%0.733SS**  trans-57.9148.8173.9-57168.2178.1150.9-2.4113.4
909K34.8Very low43.4Very low210 Ų210145.7 Ų145.791%0.91373%0.731SS**  -148.9119.2129-103.8142.8-174.11750109.8
910S40.1Very low44.8Very low102 Ų102138 Ų13871%0.71371%0.712SS**PPolyproline II helixtrans-69.9164.8168.849.90000110.5
911P45.9Very low46.5Very low115 Ų115135.4 Ų135.475%0.74769%0.691SS**PPolyproline II helixtrans-51.5145.6172.8-27.636.2000112.3K913P911-K913 PolarHBondContact O-N 3.03Å
912P53.9Low48Very low129 Ų129135.5 Ų135.584%0.83868%0.681SS**PPolyproline II helixtrans-56.6137.4175.2-24.334.8000111.3E914P912-E914 PolarHBondContact O-N 2.96Å
913K46.9Very low49.5Very low204 Ų204135.2 Ų135.289%0.88767%0.67SS**PPolyproline II helixtrans-75123.7179-168.3151-178.6175.40109.2P911 Y915P911-K913 PolarHBondContact O-N 3.03Å; K913-Y915 PolarHBondContact O-N 3.47Å
914E55.3Low50.9Low114 Ų114133.3 Ų133.353%0.53366%0.659SS.*PPolyproline II helixtrans-60.6131.8164.6-67-171-175.300108.4P912 R922P912-E914 PolarHBondContact O-N 2.96Å; E914-R922 VanDerWaalsContact CD-NH1 3.32Å; E914-R922 IonicContact OE1-NH1 3.54Å; E914-R922 PolarHBondContact OE1-NH1 3.15Å; E914-R922 IonicContact OE2-CZ 2.7Å; E914-R922 IonicContact OE2-NH1 2.64Å; E914-R922 PolarHBondContact OE2-NH1 3.25Å
915Y53.8Low52Low147 Ų147129.9 Ų129.958%0.57666%0.656SS**PPolyproline II helixtrans-101.1125.4166.9-160.6-84.7000107.9K913 E918 Y923K913-Y915 PolarHBondContact O-N 3.47Å; Y915-E918 PolarHBondContact OH-OE1 3Å; Y915-Y923 PolarHBondContact O-N 2.67Å
916I58.4Low52.8Low80 Ų80131.6 Ų131.641%0.4166%0.657SS.*BIsolated β-bridgetrans-105.7129.2168-5597000104.6G920 V921 R922I916-G920 WeakPolarHBondContact CG2-O 3.37Å; I916-V921 WeakPolarHBondContact CA-O 3.26Å; I916-R922 HydrophobicContact CG1-CB 4.47Å; I916-R922 HydrophobicContact CG1-CG 3.69Å; I916-R922 HydrophobicContact CG2-CG 4.34Å
917D64.1Low54.3Low24 Ų24135.6 Ų135.613%0.12867%0.666CS.*  trans-72.9174.417568.97000112.2E919 G920 V921 Y923D917-E919 PolarHBondContact O-N 2.72Å; D917-E919 PolarHBondContact OD1-N 2.94Å; D917-G920 PolarHBondContact O-N 3.27Å; D917-G920 PolarHBondContact OD1-N 3.05Å; D917-V921 PolarHBondContact N-O 2.92Å; D917-V921 WeakPolarHBondContact OD1-CA 3.45Å; D917-V921 WeakPolarHBondContact OD1-CB 3.34Å; D917-V921 PolarHBondContact OD1-N 3.06Å; D917-Y923 HydrophobicContact CB-CD2 4.27Å; D917-Y923 HydrophobicContact CB-CE2 3.8Å; D917-Y923 WeakPolarHBondContact OD2-CE2 3.41Å; D917-Y923 PolarHBondContact OD2-OH 3.23Å
918E62.3Low55.5Low151 Ų151132.5 Ų132.571%0.70667%0.665SS**THydrogen-bonded Turntrans-68-23-173-27.6-52.713100111.4Y915Y915-E918 PolarHBondContact OH-OE1 3Å
919E62.3Low55.9Low159 Ų159132.3 Ų132.374%0.74366%0.664SS**THydrogen-bonded Turntrans-80.8-5.7170.4-78.767.8-152.100114.6D917D917-E919 PolarHBondContact O-N 2.72Å; D917-E919 PolarHBondContact OD1-N 2.94Å
920G62.9Low57Low50 Ų50127.6 Ų127.652%0.51565%0.654SS.*SBendtrans90.57.2176.600000115.6I916 D917I916-G920 WeakPolarHBondContact CG2-O 3.37Å; D917-G920 PolarHBondContact O-N 3.27Å; D917-G920 PolarHBondContact OD1-N 3.05Å
921V61.1Low57.7Low72 Ų72128 Ų12844%0.43666%0.655SS.*  trans-81.2123.5178.6-173.10000110.1I916 D917 Y923I916-V921 WeakPolarHBondContact CA-O 3.26Å; D917-V921 PolarHBondContact N-O 2.92Å; D917-V921 WeakPolarHBondContact OD1-CA 3.45Å; D917-V921 WeakPolarHBondContact OD1-CB 3.34Å; D917-V921 PolarHBondContact OD1-N 3.06Å; V921-Y923 HydrophobicContact CG1-CE1 4.18Å; V921-Y923 PolarHBondContact O-N 3.27Å
922R60.1Low58.3Low150 Ų150130.2 Ų130.257%0.56666%0.659SS**BIsolated β-bridgetrans-83.398.5177.5-55.2-154.1-70.8148-2.8110.7E914 I916 V924E914-R922 VanDerWaalsContact CD-NH1 3.32Å; E914-R922 IonicContact OE1-NH1 3.54Å; E914-R922 PolarHBondContact OE1-NH1 3.15Å; E914-R922 IonicContact OE2-CZ 2.7Å; E914-R922 IonicContact OE2-NH1 2.64Å; E914-R922 PolarHBondContact OE2-NH1 3.25Å; I916-R922 HydrophobicContact CG1-CB 4.47Å; I916-R922 HydrophobicContact CG1-CG 3.69Å; I916-R922 HydrophobicContact CG2-CG 4.34Å; R922-V924 VanDerWaalsContact C-N 3.34Å; R922-V924 PolarHBondContact O-N 3.35Å
923Y60.9Low58.7Low145 Ų145127.2 Ų127.257%0.56964%0.638SS**  trans-74.186.8173.9-69-62.8000111.4Y915 D917 V921 P925Y915-Y923 PolarHBondContact O-N 2.67Å; D917-Y923 HydrophobicContact CB-CD2 4.27Å; D917-Y923 HydrophobicContact CB-CE2 3.8Å; D917-Y923 WeakPolarHBondContact OD2-CE2 3.41Å; D917-Y923 PolarHBondContact OD2-OH 3.23Å; V921-Y923 HydrophobicContact CG1-CE1 4.18Å; V921-Y923 PolarHBondContact O-N 3.27Å; Y923-P925 VanDerWaalsContact O-CD 3.24Å; Y923-P925 WeakPolarHBondContact O-CD 3.38Å
924V63.7Low59.3Low99 Ų99125 Ų12560%0.664%0.635SS**  trans-70118161.8179.60000108R922 V926R922-V924 VanDerWaalsContact C-N 3.34Å; R922-V924 PolarHBondContact O-N 3.35Å; V924-V926 PolarHBondContact O-N 3.22Å
925P57.4Low59.6Low121 Ų121127.9 Ų127.979%0.78665%0.653SS**  trans-70.496.8177.7-18.333.8000109.7Y923 R927Y923-P925 VanDerWaalsContact O-CD 3.24Å; Y923-P925 WeakPolarHBondContact O-CD 3.38Å; P925-R927 VanDerWaalsContact C-N 3.28Å; P925-R927 PolarHBondContact O-N 3.08Å
926V54.8Low59.4Low127 Ų127131.5 Ų131.577%0.7767%0.666SS**  trans-68.287.3179.6-176.90000109.1V924 P928V924-V926 PolarHBondContact O-N 3.22Å; V926-P928 VanDerWaalsContact O-CD 3.25Å; V926-P928 WeakPolarHBondContact O-CD 3.41Å; V926-P928 VanDerWaalsContact O-N 3.16Å
927R61.8Low59.1Low227 Ų227134.6 Ų134.686%0.85768%0.678SS**  trans-59.1115.7-179.1-167.1176-166.1164.24.8109.3P925 R929P925-R927 VanDerWaalsContact C-N 3.28Å; P925-R927 PolarHBondContact O-N 3.08Å; R927-R929 PolarHBondContact O-N 3.43Å
928P58.9Low58.3Low116 Ų116143.1 Ų143.175%0.75371%0.71SS**PPolyproline II helixtrans-57.8126.2-176-26.735.6000111.1V926V926-P928 VanDerWaalsContact O-CD 3.25Å; V926-P928 WeakPolarHBondContact O-CD 3.41Å; V926-P928 VanDerWaalsContact O-N 3.16Å
929R54.7Low57.8Low237 Ų237146 Ų14689%0.89471%0.714SS**PPolyproline II helixtrans-70.7131.9172.6-82.7-175.8170.2159.9-1.7109R927R927-R929 PolarHBondContact O-N 3.43Å
930P56.8Low57.4Low110 Ų110141 Ų14171%0.71469%0.693SS**PPolyproline II helixtrans-56.7145.2174.6-25.634.8000111.9I932P930-I932 PolarHBondContact O-N 3.09Å
931P56.3Low57.1Low112 Ų112143.7 Ų143.773%0.72770%0.701SS**PPolyproline II helixtrans-64.3127.4-178.925.9-34.1000111.2T933P931-T933 PolarHBondContact O-N 3.12Å
932I58.7Low56.7Low160 Ų160149.6 Ų149.682%0.82172%0.716SS**  trans-75.793.5-178.9-57.2175.4000108.9P930P930-I932 PolarHBondContact O-N 3.09Å
933T61.4Low56.4Low66 Ų66150.7 Ų150.741%0.40573%0.725SS.*  trans-85.7117.5175.265.80000110.9P931 L935P931-T933 PolarHBondContact O-N 3.12Å; T933-L935 PolarHBondContact O-N 2.89Å
934L58.7Low55.9Low159 Ų159146.3 Ų146.383%0.83272%0.718SS**THydrogen-bonded Turntrans-63-25.5177.9-64.5174.4000112.7
935L61.6Low55.4Low173 Ų173143.3 Ų143.391%0.90670%0.704SS**THydrogen-bonded Turntrans-90-14.2-165.9-154.867.8000115.4T933T933-L935 PolarHBondContact O-N 2.89Å
936R50.3Low55.2Low224 Ų224146 Ų14685%0.84570%0.7SS**THydrogen-bonded Turntrans-116.5-6.3177.5-82.3-170.4172.7-175.5-0.8115
937H52.3Low55.4Low145 Ų145147.9 Ų147.967%0.67170%0.699SS**  trans-126.423.6-172.3-66.7-25000115.3R939H937-R939 PolarHBondContact O-N 3.05Å
938Y48.3Very low55.6Low202 Ų202143.6 Ų143.679%0.79269%0.689SS**  trans-73.341.1160.4-150.2-92.5000112.8N940Y938-N940 VanDerWaalsContact C-N 3.26Å; Y938-N940 PolarHBondContact O-N 2.79Å; Y938-N940 VanDerWaalsContact O-N 3.17Å
939R51.8Low56.2Low212 Ų212144.3 Ų144.380%0.868%0.68SS**  trans-83.780.6161.3-168.6-178.7-165.6-163.44.2106.4H937 P941H937-R939 PolarHBondContact O-N 3.05Å; R939-P941 VanDerWaalsContact O-N 3.08Å
940N52.6Low56.9Low55 Ų55140.2 Ų140.229%0.29467%0.671SS.*  trans-38.8114.3-175.4-176.76.8000110.6Y938 W942Y938-N940 VanDerWaalsContact C-N 3.26Å; Y938-N940 PolarHBondContact O-N 2.79Å; Y938-N940 VanDerWaalsContact O-N 3.17Å; N940-W942 PolarHBondContact O-N 2.71Å
941P56Low57.7Low105 Ų105143.6 Ų143.668%0.68267%0.67SS**  trans-80.949.7-164.432.5-37.2000113R939 K943R939-P941 VanDerWaalsContact O-N 3.08Å; P941-K943 PolarHBondContact O-N 2.96Å
942W53.2Low58Low197 Ų197147.7 Ų147.775%0.74667%0.672SS**SBendtrans54.2-9.5166.9-63.782.1000118.9N940N940-W942 PolarHBondContact O-N 2.71Å
943K54.6Low58.6Low173 Ų173143.8 Ų143.875%0.75266%0.659SS**SBendtrans-86.2-34.6176.4-68.2-155.2170.5-166.90114.2P941 A945 Y946P941-K943 PolarHBondContact O-N 2.96Å; K943-A945 PolarHBondContact O-N 2.72Å; K943-Y946 HydrophobicContact CB-CD2 4.46Å; K943-Y946 HydrophobicContact CG-CE2 4.24Å; K943-Y946 WeakPolarHBondContact O-CD2 3.14Å; K943-Y946 PolarHBondContact O-N 3.12Å
944A50.8Low59.2Low53 Ų53143.9 Ų143.944%0.43866%0.657SS.*G310 helixtrans-65.4-22.7172.900000112.7H948A944-H948 PolarHBondContact O-ND1 3.16Å
945A52.3Low59.8Low35 Ų35140.4 Ų140.429%0.28964%0.642SS.*G310 helixtrans-74.1-18.3-179.700000114.3K943 H947 H948K943-A945 PolarHBondContact O-N 2.72Å; A945-H947 PolarHBondContact O-N 2.92Å; A945-H947 VanDerWaalsContact O-N 3.09Å; A945-H948 PolarHBondContact O-N 3.33Å
946Y54.2Low60.5Low179 Ų179141.7 Ų141.770%0.70264%0.635SS**G310 helixtrans-60.5-23.8-178-79.4-65.9000114.2K943K943-Y946 HydrophobicContact CB-CD2 4.46Å; K943-Y946 HydrophobicContact CG-CE2 4.24Å; K943-Y946 WeakPolarHBondContact O-CD2 3.14Å; K943-Y946 PolarHBondContact O-N 3.12Å
947H58.6Low61.7Low165 Ų165137.6 Ų137.676%0.76464%0.635SS**SBendtrans-126.85.2177.1-58-15.1000113A945A945-H947 PolarHBondContact O-N 2.92Å; A945-H947 VanDerWaalsContact O-N 3.09Å
948H66Low62.7Low138 Ų138139.8 Ų139.864%0.63964%0.642SS**  trans-99.4103172.7-83.382.3000110A944 A945 Q950A944-H948 PolarHBondContact O-ND1 3.16Å; A945-H948 PolarHBondContact O-N 3.33Å; H948-Q950 PolarHBondContact O-N 3.05Å; H948-Q950 VanDerWaalsContact O-N 3.15Å
949F71.3Confident63.6Low131 Ų131138 Ų13858%0.57564%0.641SS**  trans-62.7111.8170.6-56.1-75.1000109.4R951 D954 V955F949-R951 VanDerWaalsContact C-N 3.28Å; F949-R951 PolarHBondContact O-N 2.86Å; F949-D954 HydrophobicContact CB-CB 4.12Å; F949-D954 VanDerWaalsContact CD1-C 3.41Å; F949-D954 HydrophobicContact CD1-CB 3.87Å; F949-D954 WeakPolarHBondContact CD1-O 3.37Å; F949-D954 WeakPolarHBondContact CE1-O 3.33Å; F949-V955 HydrophobicContact CB-CG2 3.73Å; F949-V955 HydrophobicContact CD1-CB 4.44Å; F949-V955 HydrophobicContact CD1-CG2 3.73Å; F949-V955 HydrophobicContact CD2-CG2 3.54Å; F949-V955 HydrophobicContact CE1-CG2 4.18Å; F949-V955 HydrophobicContact CE2-CG2 4.02Å; F949-V955 HydrophobicContact CG-CG2 3.36Å; F949-V955 HydrophobicContact CZ-CG2 4.31Å
950Q69.3Low64.1Low151 Ų151136.3 Ų136.371%0.70664%0.643SS**SBendtrans-77.9-20.3-173.7-163.467.583.500111.5H948 D954H948-Q950 PolarHBondContact O-N 3.05Å; H948-Q950 VanDerWaalsContact O-N 3.15Å; Q950-D954 PolarHBondContact N-OD2 3.4Å
951R74.4Confident65.2Low180 Ų180142.4 Ų142.468%0.67967%0.666SS**SBendtrans-141154.6176.4-51.9175.3179.7-136.5-4.8109.8F949 S953 D954F949-R951 VanDerWaalsContact C-N 3.28Å; F949-R951 PolarHBondContact O-N 2.86Å; R951-S953 VanDerWaalsContact CB-OG 3.31Å; R951-S953 WeakPolarHBondContact CB-OG 3.37Å; R951-S953 PolarHBondContact O-N 3.11Å; R951-S953 VanDerWaalsContact O-N 3.1Å; R951-D954 PolarHBondContact N-OD2 3.29Å; R951-D954 WeakPolarHBondContact O-CB 3.44Å; R951-D954 VanDerWaalsContact O-CG 3.27Å; R951-D954 PolarHBondContact O-N 3.11Å
952Y62.5Low66.1Low199 Ų199146.3 Ų146.378%0.7867%0.673SS**THydrogen-bonded Turntrans-58.9-22.7174.4-61-81.2000114D954Y952-D954 PolarHBondContact O-N 2.87Å
953S71.3Confident67.2Low78 Ų78139.1 Ų139.155%0.54566%0.655SS.*THydrogen-bonded Turntrans-67.3-21.7173.547.50000114.4R951R951-S953 VanDerWaalsContact CB-OG 3.31Å; R951-S953 WeakPolarHBondContact CB-OG 3.37Å; R951-S953 PolarHBondContact O-N 3.11Å; R951-S953 VanDerWaalsContact O-N 3.1Å
954D72.2Confident68.8Low67 Ų67136.3 Ų136.336%0.35865%0.646SS.*THydrogen-bonded Turntrans-83.8-23.6-170.4-46.7-13.8000109.7F949 Q950 R951 Y952 R956F949-D954 HydrophobicContact CB-CB 4.12Å; F949-D954 VanDerWaalsContact CD1-C 3.41Å; F949-D954 HydrophobicContact CD1-CB 3.87Å; F949-D954 WeakPolarHBondContact CD1-O 3.37Å; F949-D954 WeakPolarHBondContact CE1-O 3.33Å; Q950-D954 PolarHBondContact N-OD2 3.4Å; R951-D954 PolarHBondContact N-OD2 3.29Å; R951-D954 WeakPolarHBondContact O-CB 3.44Å; R951-D954 VanDerWaalsContact O-CG 3.27Å; R951-D954 PolarHBondContact O-N 3.11Å; Y952-D954 PolarHBondContact O-N 2.87Å; D954-R956 PolarHBondContact O-N 3.27Å
955V71.6Confident70.5Confident87 Ų87137.3 Ų137.353%0.52764%0.643SS.*  trans-75.176.4164.3-171.30000109.1F949F949-V955 HydrophobicContact CB-CG2 3.73Å; F949-V955 HydrophobicContact CD1-CB 4.44Å; F949-V955 HydrophobicContact CD1-CG2 3.73Å; F949-V955 HydrophobicContact CD2-CG2 3.54Å; F949-V955 HydrophobicContact CE1-CG2 4.18Å; F949-V955 HydrophobicContact CE2-CG2 4.02Å; F949-V955 HydrophobicContact CG-CG2 3.36Å; F949-V955 HydrophobicContact CZ-CG2 4.31Å
956R76.4Confident72.3Confident199 Ų199138.8 Ų138.875%0.75165%0.645SS**  trans-80140.5161.6-64.8-178.463.9172-2.7108.4D954 K958D954-R956 PolarHBondContact O-N 3.27Å; R956-K958 PolarHBondContact O-N 2.95Å
957V75.5Confident74Confident138 Ų138135.2 Ų135.284%0.83663%0.634SS**  trans-55119.3164.6176.10000106.7E959V957-E959 PolarHBondContact O-N 3.3Å
958K72.9Confident75.5Confident192 Ų192130.1 Ų130.184%0.83561%0.612SS**  trans-63.2106.7176.6179.7-177.8178-1760106.9R956 E960R956-K958 PolarHBondContact O-N 2.95Å; K958-E960 PolarHBondContact O-N 2.68Å
959E67.8Low76.6Confident164 Ų164124.1 Ų124.177%0.76659%0.586SS**  trans-54.4118.4171.1-74.3-177.5173.500107.8V957 K961V957-E959 PolarHBondContact O-N 3.3Å; E959-K961 VanDerWaalsContact C-N 3.25Å; E959-K961 PolarHBondContact O-N 3.17Å
960E61.9Low77.5Confident177 Ų177121.3 Ų121.383%0.82758%0.577SS**  trans-70.491.9177.2-170.9176.7-131.500107.5K958 K962K958-E960 PolarHBondContact O-N 2.68Å; E960-K962 VanDerWaalsContact C-N 3.26Å; E960-K962 PolarHBondContact O-N 3.34Å
961K75.8Confident78.5Confident182 Ų182118.1 Ų118.179%0.79156%0.562SS**  trans-58.793.5174.2-177.6-177.7179.9-1780107.5E959 A963E959-K961 VanDerWaalsContact C-N 3.25Å; E959-K961 PolarHBondContact O-N 3.17Å; K961-A963 PolarHBondContact O-N 3.05Å
962K75.4Confident79.3Confident188 Ų188119.2 Ų119.282%0.81757%0.572SS**  trans-43.2114.5-176.8-67.6179.3178.6177.20108.9E960 M964E960-K962 VanDerWaalsContact C-N 3.26Å; E960-K962 PolarHBondContact O-N 3.34Å; K962-M964 PolarHBondContact O-N 3.15Å; K962-M964 VanDerWaalsContact O-N 3.15Å
963A76.2Confident80.5Confident46 Ų46111.5 Ų111.538%0.3855%0.553SS.*  trans-49.1124.2-173.600000109.1K961 E967 I968K961-A963 PolarHBondContact O-N 3.05Å; A963-E967 WeakPolarHBondContact CA-OE2 3.48Å; A963-I968 HydrophobicContact CB-CD1 4.18Å; A963-I968 HydrophobicContact CB-CG1 3.9Å; A963-I968 WeakPolarHBondContact O-CD1 3.41Å
964M87.5Confident81.5Confident114 Ų114108.7 Ų108.756%0.56253%0.532SS*.  trans-63.8146.1-167.5-166-175.1-68.800109.1K962 Q966 E967 I968K962-M964 PolarHBondContact O-N 3.15Å; K962-M964 VanDerWaalsContact O-N 3.15Å; M964-Q966 HydrophobicContact CB-CB 4.43Å; M964-Q966 HydrophobicContact CG-CB 3.99Å; M964-Q966 PolarHBondContact O-N 3.35Å; M964-Q966 HydrophobicContact SD-CB 3.75Å; M964-Q966 HydrophobicContact SD-CG 4.47Å; M964-E967 HydrophobicContact CB-CB 4.01Å; M964-E967 PolarHBondContact N-OE2 2.93Å; M964-E967 WeakPolarHBondContact O-CA 3.2Å; M964-E967 VanDerWaalsContact O-CB 3.26Å; M964-E967 WeakPolarHBondContact O-CB 3.4Å; M964-E967 PolarHBondContact O-N 2.77Å; M964-I968 PolarHBondContact O-N 3.09Å
965L88.3Confident82.3Confident73 Ų73108.3 Ų108.338%0.38254%0.535SS..Hα-helixtrans-55.2-32.6176.4-17759.2000111.9A969 N1068L965-A969 WeakPolarHBondContact O-CB 3.22Å; L965-A969 PolarHBondContact O-N 3.42Å; L965-N1068 HydrophobicContact CD2-CB 4.39Å; L965-N1068 WeakPolarHBondContact CD2-OD1 3.4Å; L965-N1068 HydrophobicContact CG-CB 3.95Å
966Q88.8Confident83.1Confident67 Ų67107.7 Ų107.731%0.31353%0.534SS..Hα-helixtrans-61.4-40.4169.6-179.657.376.400114.1M964 N970 N1068M964-Q966 HydrophobicContact CB-CB 4.43Å; M964-Q966 HydrophobicContact CG-CB 3.99Å; M964-Q966 PolarHBondContact O-N 3.35Å; M964-Q966 HydrophobicContact SD-CB 3.75Å; M964-Q966 HydrophobicContact SD-CG 4.47Å; Q966-N970 PolarHBondContact NE2-ND2 3.5Å; Q966-N970 PolarHBondContact NE2-OD1 3.04Å; Q966-N970 WeakPolarHBondContact O-CB 3.45Å; Q966-N970 PolarHBondContact O-N 2.8Å; Q966-N970 VanDerWaalsContact O-N 3.12Å; Q966-N970 PolarHBondContact O-ND2 2.93Å; Q966-N970 VanDerWaalsContact O-ND2 3.12Å; Q966-N1068 PolarHBondContact NE2-O 3.04Å; Q966-N1068 PolarHBondContact OE1-O 3.09Å
967E89.5Confident83.8Confident104 Ų104103.8 Ų103.849%0.48652%0.519SS..Hα-helixtrans-72.7-48.2179.7-176.9-169.9164.600110.4A963 M964 A969 N970 Q971A963-E967 WeakPolarHBondContact CA-OE2 3.48Å; M964-E967 HydrophobicContact CB-CB 4.01Å; M964-E967 PolarHBondContact N-OE2 2.93Å; M964-E967 WeakPolarHBondContact O-CA 3.2Å; M964-E967 VanDerWaalsContact O-CB 3.26Å; M964-E967 WeakPolarHBondContact O-CB 3.4Å; M964-E967 PolarHBondContact O-N 2.77Å; E967-A969 VanDerWaalsContact C-N 3.33Å; E967-A969 PolarHBondContact O-N 3.32Å; E967-N970 PolarHBondContact O-N 2.99Å; E967-N970 VanDerWaalsContact O-N 3.08Å; E967-Q971 PolarHBondContact O-N 3.38Å
968I90.5Very high84.6Confident58 Ų5898.3 Ų98.330%0.29749%0.488SS..Hα-helixtrans-56.7-47.7174.2-62.1171.7000110.2A963 M964 N970 Q971 V974 L1065A963-I968 HydrophobicContact CB-CD1 4.18Å; A963-I968 HydrophobicContact CB-CG1 3.9Å; A963-I968 WeakPolarHBondContact O-CD1 3.41Å; M964-I968 PolarHBondContact O-N 3.09Å; I968-N970 VanDerWaalsContact C-N 3.27Å; I968-N970 PolarHBondContact O-N 2.81Å; I968-Q971 WeakPolarHBondContact O-CB 3.42Å; I968-Q971 WeakPolarHBondContact O-CG 3.36Å; I968-Q971 PolarHBondContact O-N 3.44Å; I968-Q971 VanDerWaalsContact O-N 3.15Å; I968-V974 HydrophobicContact CG2-CG2 4.2Å; I968-L1065 HydrophobicContact CG2-CD2 4.07Å
969A89.9Confident85.6Confident12 Ų1293.6 Ų93.610%0.09947%0.469CS..Hα-helixtrans-64.8-27177.600000114L965 E967 L1065 N1068L965-A969 WeakPolarHBondContact O-CB 3.22Å; L965-A969 PolarHBondContact O-N 3.42Å; E967-A969 VanDerWaalsContact C-N 3.33Å; E967-A969 PolarHBondContact O-N 3.32Å; A969-L1065 HydrophobicContact CB-CD2 4.13Å; A969-N1068 VanDerWaalsContact CB-C 3.43Å; A969-N1068 HydrophobicContact CB-CB 3.9Å; A969-N1068 WeakPolarHBondContact CB-O 3.36Å
970N89.9Confident86.9Confident72 Ų7286.1 Ų86.139%0.38544%0.436SS..Hα-helixtrans-80.5-13.1175.1-76.4-21.7000113.7Q966 E967 I968 K972 T1070Q966-N970 PolarHBondContact NE2-ND2 3.5Å; Q966-N970 PolarHBondContact NE2-OD1 3.04Å; Q966-N970 WeakPolarHBondContact O-CB 3.45Å; Q966-N970 PolarHBondContact O-N 2.8Å; Q966-N970 VanDerWaalsContact O-N 3.12Å; Q966-N970 PolarHBondContact O-ND2 2.93Å; Q966-N970 VanDerWaalsContact O-ND2 3.12Å; E967-N970 PolarHBondContact O-N 2.99Å; E967-N970 VanDerWaalsContact O-N 3.08Å; I968-N970 VanDerWaalsContact C-N 3.27Å; I968-N970 PolarHBondContact O-N 2.81Å; N970-K972 PolarHBondContact O-N 3.18Å; N970-T1070 WeakPolarHBondContact OD1-CB 2.96Å; N970-T1070 WeakPolarHBondContact OD1-CG2 3.3Å; N970-T1070 PolarHBondContact OD1-N 3.08Å; N970-T1070 PolarHBondContact OD1-OG1 3.42Å
971Q91.4Very high88.5Confident84 Ų8483.9 Ų83.939%0.39342%0.42SS..SBendtrans-62.9127.8-179.9-63.9176.9400111.5E967 I968 G973 V974 R977E967-Q971 PolarHBondContact O-N 3.38Å; I968-Q971 WeakPolarHBondContact O-CB 3.42Å; I968-Q971 WeakPolarHBondContact O-CG 3.36Å; I968-Q971 PolarHBondContact O-N 3.44Å; I968-Q971 VanDerWaalsContact O-N 3.15Å; Q971-G973 PolarHBondContact O-N 3.09Å; Q971-V974 HydrophobicContact CB-CB 4.23Å; Q971-V974 WeakPolarHBondContact O-CB 3.39Å; Q971-V974 WeakPolarHBondContact O-CG1 3.36Å; Q971-V974 PolarHBondContact O-N 2.76Å; Q971-R977 VanDerWaalsContact CB-NH2 3.3Å
972K89.4Confident89.4Confident202 Ų20282 Ų8288%0.87841%0.412SS*.THydrogen-bonded Turntrans-51.8123.8178.5-172.3179179.6-177.40110.9N970 V974 R977N970-K972 PolarHBondContact O-N 3.18Å; K972-V974 PolarHBondContact O-N 2.92Å; K972-R977 PolarHBondContact O-NH1 2.81Å
973G88.3Confident90.4Very high37 Ų3774.7 Ų74.738%0.38138%0.383SS..THydrogen-bonded Turntrans72.416.5177.800000116Q971 S975 C976 R977Q971-G973 PolarHBondContact O-N 3.09Å; G973-S975 VanDerWaalsContact C-N 3.3Å; G973-S975 PolarHBondContact O-N 3.28Å; G973-C976 WeakPolarHBondContact O-CB 3.32Å; G973-C976 PolarHBondContact O-N 3.34Å; G973-C976 VanDerWaalsContact O-N 3.09Å; G973-R977 PolarHBondContact O-N 2.99Å
974V91.6Very high91.4Very high19 Ų1976.7 Ų76.712%0.11539%0.385CS..Hα-helixtrans-59.9-37179.2680000113.2I968 Q971 K972 C976 R977 A978 L1065I968-V974 HydrophobicContact CG2-CG2 4.2Å; Q971-V974 HydrophobicContact CB-CB 4.23Å; Q971-V974 WeakPolarHBondContact O-CB 3.39Å; Q971-V974 WeakPolarHBondContact O-CG1 3.36Å; Q971-V974 PolarHBondContact O-N 2.76Å; K972-V974 PolarHBondContact O-N 2.92Å; V974-C976 VanDerWaalsContact C-N 3.33Å; V974-C976 PolarHBondContact O-N 3.1Å; V974-R977 PolarHBondContact O-N 3.34Å; V974-A978 WeakPolarHBondContact O-CB 3.33Å; V974-A978 PolarHBondContact O-N 3.45Å; V974-L1065 HydrophobicContact CG1-CD1 4.32Å; V974-L1065 HydrophobicContact CG1-CD2 4.07Å; V974-L1065 HydrophobicContact CG2-CD1 3.97Å; V974-L1065 HydrophobicContact CG2-CD2 3.77Å
975S89.1Confident91.9Very high59 Ų5975.7 Ų75.741%0.41338%0.381SS..Hα-helixtrans-61.5-38.5172.850.30000112.8G973 A978 Q979G973-S975 VanDerWaalsContact C-N 3.3Å; G973-S975 PolarHBondContact O-N 3.28Å; S975-A978 PolarHBondContact O-N 2.85Å; S975-Q979 PolarHBondContact O-N 2.94Å; S975-Q979 VanDerWaalsContact O-N 3.15Å
976C89.1Confident92.3Very high75 Ų7574.5 Ų74.551%0.50738%0.378SS..Hα-helixtrans-70.6-32.6174.4178.50000112.4G973 V974 Q979G973-C976 WeakPolarHBondContact O-CB 3.32Å; G973-C976 PolarHBondContact O-N 3.34Å; G973-C976 VanDerWaalsContact O-N 3.09Å; V974-C976 VanDerWaalsContact C-N 3.33Å; V974-C976 PolarHBondContact O-N 3.1Å; C976-Q979 WeakPolarHBondContact O-CB 3.47Å
977R91Very high92.8Very high116 Ų11671.7 Ų71.744%0.43837%0.366SS..Hα-helixtrans-68.3-43.1169.9-70.3-167.9-65.9-74.25.4111.8Q971 K972 G973 V974 Q979 G980Q971-R977 VanDerWaalsContact CB-NH2 3.3Å; K972-R977 PolarHBondContact O-NH1 2.81Å; G973-R977 PolarHBondContact O-N 2.99Å; V974-R977 PolarHBondContact O-N 3.34Å; R977-Q979 PolarHBondContact O-N 3.27Å; R977-G980 PolarHBondContact O-N 2.7Å
978A92.4Very high93.2Very high23 Ų2369.1 Ų69.119%0.1936%0.363CS..Hα-helixtrans-62.2-23.7177.300000113.3V974 S975 G980 K1058 V1061 L1065V974-A978 WeakPolarHBondContact O-CB 3.33Å; V974-A978 PolarHBondContact O-N 3.45Å; S975-A978 PolarHBondContact O-N 2.85Å; A978-G980 PolarHBondContact O-N 3.41Å; A978-G980 VanDerWaalsContact O-N 3.17Å; A978-K1058 WeakPolarHBondContact O-CG 3.5Å; A978-V1061 HydrophobicContact CB-CG1 4.15Å; A978-L1065 HydrophobicContact CB-CD1 3.77Å
979Q92.9Very high93.6Very high93 Ų9371.5 Ų71.544%0.43537%0.373SS..THydrogen-bonded Turntrans-64-11.5171.6-176.464.3600113.6S975 C976 R977 W981S975-Q979 PolarHBondContact O-N 2.94Å; S975-Q979 VanDerWaalsContact O-N 3.15Å; C976-Q979 WeakPolarHBondContact O-CB 3.47Å; R977-Q979 PolarHBondContact O-N 3.27Å; Q979-W981 PolarHBondContact O-N 3.37Å
980G95.1Very high94Very high7 Ų772.8 Ų72.87%0.07238%0.378CS..THydrogen-bonded Turntrans76.518167.700000115.7R977 A978 K982 V983 H984R977-G980 PolarHBondContact O-N 2.7Å; A978-G980 PolarHBondContact O-N 3.41Å; A978-G980 VanDerWaalsContact O-N 3.17Å; G980-K982 PolarHBondContact O-N 3.18Å; G980-K982 VanDerWaalsContact O-N 3.07Å; G980-V983 WeakPolarHBondContact O-CA 3.4Å; G980-V983 WeakPolarHBondContact O-CB 3.46Å; G980-V983 PolarHBondContact O-N 3.09Å; G980-H984 PolarHBondContact O-N 3.44Å
981W95.5Very high94.3Very high130 Ų13073 Ų7349%0.49238%0.379SS..Hα-helixtrans-55.6-32.6-173.672.6-99.6000114.4Q979 H984 L985Q979-W981 PolarHBondContact O-N 3.37Å; W981-H984 PolarHBondContact O-N 2.99Å; W981-L985 HydrophobicContact CZ3-CD2 4.27Å; W981-L985 WeakPolarHBondContact O-CB 3.28Å; W981-L985 PolarHBondContact O-N 2.84Å
982K95.4Very high94.7Very high142 Ų14275.2 Ų75.262%0.61739%0.389SS*.Hα-helixtrans-67.3-37.6173.8-70.4-166.8173-1660113G980 L985 C986G980-K982 PolarHBondContact O-N 3.18Å; G980-K982 VanDerWaalsContact O-N 3.07Å; K982-L985 PolarHBondContact O-N 3.09Å; K982-C986 WeakPolarHBondContact O-CB 3.44Å; K982-C986 PolarHBondContact O-N 3.07Å
983V96.9Very high95.1Very high35 Ų3569.5 Ų69.521%0.21237%0.368CS..Hα-helixtrans-68.1-43.7175.2161.90000110.2G980 L985 C986 A987 M1051 L1052 L1055G980-V983 WeakPolarHBondContact O-CA 3.4Å; G980-V983 WeakPolarHBondContact O-CB 3.46Å; G980-V983 PolarHBondContact O-N 3.09Å; V983-L985 PolarHBondContact O-N 2.88Å; V983-C986 PolarHBondContact O-N 3.4Å; V983-A987 WeakPolarHBondContact O-CB 3.32Å; V983-A987 PolarHBondContact O-N 2.87Å; V983-M1051 HydrophobicContact CG1-CG 4.01Å; V983-L1052 HydrophobicContact CG1-CD2 4.26Å; V983-L1055 HydrophobicContact CB-CD1 4.14Å; V983-L1055 HydrophobicContact CG1-CD1 3.74Å; V983-L1055 HydrophobicContact CG1-CG 4.03Å
984H96.6Very high95.6Very high89 Ų8968.5 Ų68.541%0.41235%0.354SS..Hα-helixtrans-62.8-39.6174-67.3-49.6000112.9G980 W981 A987 A988 L1052 L1055G980-H984 PolarHBondContact O-N 3.44Å; W981-H984 PolarHBondContact O-N 2.99Å; H984-A987 PolarHBondContact O-N 3.25Å; H984-A988 PolarHBondContact O-N 3Å; H984-L1052 WeakPolarHBondContact ND1-CD2 3.38Å; H984-L1055 WeakPolarHBondContact CE1-CD1 3.48Å; H984-L1055 WeakPolarHBondContact NE2-CD1 3.43Å
985L97.4Very high95.9Very high93 Ų9371.8 Ų71.849%0.48737%0.371SS..Hα-helixtrans-62.8-45174.7179.661.1000111.6W981 K982 V983 A988 Q989W981-L985 HydrophobicContact CZ3-CD2 4.27Å; W981-L985 WeakPolarHBondContact O-CB 3.28Å; W981-L985 PolarHBondContact O-N 2.84Å; K982-L985 PolarHBondContact O-N 3.09Å; V983-L985 PolarHBondContact O-N 2.88Å; L985-A988 PolarHBondContact O-N 3Å; L985-Q989 WeakPolarHBondContact O-CG 3.33Å; L985-Q989 PolarHBondContact O-N 3.41Å
986C97.9Very high96.3Very high47 Ų4774 Ų7432%0.31838%0.378SS..Hα-helixtrans-64.4-39.9175.7-168.60000111.7K982 V983 A988 Q989 L990 M1051K982-C986 WeakPolarHBondContact O-CB 3.44Å; K982-C986 PolarHBondContact O-N 3.07Å; V983-C986 PolarHBondContact O-N 3.4Å; C986-A988 VanDerWaalsContact C-N 3.31Å; C986-A988 PolarHBondContact O-N 3.17Å; C986-Q989 WeakPolarHBondContact O-CB 3.43Å; C986-Q989 PolarHBondContact O-N 3.15Å; C986-Q989 VanDerWaalsContact O-N 3.14Å; C986-L990 WeakPolarHBondContact O-CG 3.11Å; C986-L990 PolarHBondContact O-N 3.04Å; C986-M1051 HydrophobicContact CB-CE 3.7Å; C986-M1051 HydrophobicContact CB-SD 3.89Å
987A98.1Very high96.7Very high8 Ų872.5 Ų72.57%0.06636%0.363CS..Hα-helixtrans-62.9-36.2175.900000112.5V983 H984 L990 L991 R1048 M1051 L1052V983-A987 WeakPolarHBondContact O-CB 3.32Å; V983-A987 PolarHBondContact O-N 2.87Å; H984-A987 PolarHBondContact O-N 3.25Å; A987-L990 PolarHBondContact O-N 3.01Å; A987-L991 PolarHBondContact O-N 3.39Å; A987-R1048 HydrophobicContact CB-CG 3.93Å; A987-M1051 HydrophobicContact CB-CE 3.93Å; A987-M1051 VanDerWaalsContact N-CE 3.34Å; A987-L1052 HydrophobicContact CB-CD1 4.07Å; A987-L1052 HydrophobicContact CB-CD2 3.88Å; A987-L1052 HydrophobicContact CB-CG 3.94Å
988A98.2Very high97.1Very high50 Ų5071.3 Ų71.341%0.41336%0.362SS..Hα-helixtrans-67.9-37.2172.800000112.4H984 L985 C986 L991 Q992H984-A988 PolarHBondContact O-N 3Å; L985-A988 PolarHBondContact O-N 3Å; C986-A988 VanDerWaalsContact C-N 3.31Å; C986-A988 PolarHBondContact O-N 3.17Å; A988-L991 PolarHBondContact O-N 3.12Å; A988-Q992 WeakPolarHBondContact O-CG 3.39Å; A988-Q992 PolarHBondContact O-N 2.87Å
989Q98.4Very high97.3Very high108 Ų10874.3 Ų74.351%0.50538%0.375SS..Hα-helixtrans-67.2-38.5174.1-69.5172.8-47.300112.2L985 C986 Q992 L993L985-Q989 WeakPolarHBondContact O-CG 3.33Å; L985-Q989 PolarHBondContact O-N 3.41Å; C986-Q989 WeakPolarHBondContact O-CB 3.43Å; C986-Q989 PolarHBondContact O-N 3.15Å; C986-Q989 VanDerWaalsContact O-N 3.14Å; Q989-Q992 PolarHBondContact O-N 3.07Å; Q989-L993 PolarHBondContact O-N 3Å
990L98.3Very high97.6Very high39 Ų3973 Ų7320%0.20437%0.374CS..Hα-helixtrans-65.2-41.3172.7-68.1176.1000111.6C986 A987 Q992 L993 T994 I1044 R1048 M1051C986-L990 WeakPolarHBondContact O-CG 3.11Å; C986-L990 PolarHBondContact O-N 3.04Å; A987-L990 PolarHBondContact O-N 3.01Å; L990-Q992 VanDerWaalsContact C-N 3.32Å; L990-Q992 PolarHBondContact O-N 3.23Å; L990-L993 WeakPolarHBondContact O-CA 3.48Å; L990-L993 WeakPolarHBondContact O-CB 3.38Å; L990-L993 PolarHBondContact O-N 2.93Å; L990-T994 PolarHBondContact O-N 2.97Å; L990-T994 PolarHBondContact O-OG1 3.2Å; L990-I1044 HydrophobicContact CB-CG2 3.96Å; L990-I1044 HydrophobicContact CD2-CG2 4.27Å; L990-I1044 VanDerWaalsContact O-CG2 3.28Å; L990-I1044 WeakPolarHBondContact O-CG2 3.32Å; L990-R1048 HydrophobicContact CB-CB 4.11Å; L990-R1048 HydrophobicContact CB-CG 4.38Å; L990-R1048 HydrophobicContact CD1-CB 4Å; L990-M1051 HydrophobicContact CD1-CE 3.68Å
991L98.1Very high97.7Very high78 Ų7874.4 Ų74.441%0.40838%0.377SS..Hα-helixtrans-61-39.4173.5179.963.6000112.2A987 A988 L993 T994 N995A987-L991 PolarHBondContact O-N 3.39Å; A988-L991 PolarHBondContact O-N 3.12Å; L991-L993 VanDerWaalsContact C-N 3.29Å; L991-L993 PolarHBondContact O-N 3.25Å; L991-T994 PolarHBondContact O-N 2.85Å; L991-N995 VanDerWaalsContact O-CG 3.27Å; L991-N995 PolarHBondContact O-N 3.44Å; L991-N995 PolarHBondContact O-OD1 2.95Å
992Q98.3Very high97.9Very high129 Ų12971.9 Ų71.960%0.60337%0.371SS*.Hα-helixtrans-62-36.7172.4-73.7177.2-37.300112.1A988 Q989 L990 N995 L996A988-Q992 WeakPolarHBondContact O-CG 3.39Å; A988-Q992 PolarHBondContact O-N 2.87Å; Q989-Q992 PolarHBondContact O-N 3.07Å; L990-Q992 VanDerWaalsContact C-N 3.32Å; L990-Q992 PolarHBondContact O-N 3.23Å; Q992-N995 PolarHBondContact O-N 2.64Å; Q992-L996 WeakPolarHBondContact O-CG 3.1Å; Q992-L996 PolarHBondContact O-N 3.22Å; Q992-L996 VanDerWaalsContact O-N 3.1Å
993L98.3Very high98Very high83 Ų8373.8 Ų73.844%0.43537%0.374SS..Hα-helixtrans-69.3-39.9175.4-168.366.3000112.1Q989 L990 L991 N995 L996 E997 I1044Q989-L993 PolarHBondContact O-N 3Å; L990-L993 WeakPolarHBondContact O-CA 3.48Å; L990-L993 WeakPolarHBondContact O-CB 3.38Å; L990-L993 PolarHBondContact O-N 2.93Å; L991-L993 VanDerWaalsContact C-N 3.29Å; L991-L993 PolarHBondContact O-N 3.25Å; L993-N995 VanDerWaalsContact C-N 3.3Å; L993-N995 PolarHBondContact O-N 2.86Å; L993-L996 PolarHBondContact O-N 3.25Å; L993-E997 PolarHBondContact O-N 2.9Å; L993-I1044 HydrophobicContact CB-CD1 4.38Å; L993-I1044 HydrophobicContact CD2-CD1 3.72Å; L993-I1044 HydrophobicContact CD2-CG1 4.25Å; L993-I1044 HydrophobicContact CG-CD1 3.77Å
994T98.3Very high98Very high16 Ų1673.2 Ų73.210%0.09837%0.37CS..Hα-helixtrans-57.4-43.9171.5-49.90000111.2L990 L991 L996 E997 H998 M1041 I1044L990-T994 PolarHBondContact O-N 2.97Å; L990-T994 PolarHBondContact O-OG1 3.2Å; L991-T994 PolarHBondContact O-N 2.85Å; T994-L996 PolarHBondContact O-N 3.35Å; T994-E997 PolarHBondContact O-N 3.14Å; T994-H998 WeakPolarHBondContact O-CB 3.26Å; T994-H998 PolarHBondContact O-N 3.01Å; T994-M1041 HydrophobicContact CG2-CB 4.17Å; T994-M1041 HydrophobicContact CG2-CG 4.11Å; T994-I1044 VanDerWaalsContact OG1-CG2 3.23Å; T994-I1044 WeakPolarHBondContact OG1-CG2 3.27Å
995N98Very high98Very high88 Ų8870 Ų7047%0.47136%0.357SS..Hα-helixtrans-64.8-38.8178.7-65.5-3.1000112.3L991 Q992 L993 H998 D999L991-N995 VanDerWaalsContact O-CG 3.27Å; L991-N995 PolarHBondContact O-N 3.44Å; L991-N995 PolarHBondContact O-OD1 2.95Å; Q992-N995 PolarHBondContact O-N 2.64Å; L993-N995 VanDerWaalsContact C-N 3.3Å; L993-N995 PolarHBondContact O-N 2.86Å; N995-H998 WeakPolarHBondContact O-CB 3.17Å; N995-H998 PolarHBondContact O-N 3.48Å; N995-D999 PolarHBondContact O-N 3.49Å
996L98.1Very high97.9Very high105 Ų10570.5 Ų70.555%0.5536%0.36SS..Hα-helixtrans-67.1-38.1175.8-71.3170.4000112.2Q992 L993 T994 H998 D999 V1000Q992-L996 WeakPolarHBondContact O-CG 3.1Å; Q992-L996 PolarHBondContact O-N 3.22Å; Q992-L996 VanDerWaalsContact O-N 3.1Å; L993-L996 PolarHBondContact O-N 3.25Å; T994-L996 PolarHBondContact O-N 3.35Å; L996-H998 VanDerWaalsContact C-N 3.31Å; L996-D999 PolarHBondContact O-N 2.85Å; L996-V1000 WeakPolarHBondContact O-CG2 3.4Å; L996-V1000 PolarHBondContact O-N 3.5Å; L996-V1000 VanDerWaalsContact O-N 3.11Å
997E98.1Very high97.7Very high44 Ų4472.4 Ų72.421%0.20637%0.366CS..Hα-helixtrans-68.9-32.3174-163.568.2-159.800111.4L993 T994 V1000 Y1001 C1037 V1040 M1041L993-E997 PolarHBondContact O-N 2.9Å; T994-E997 PolarHBondContact O-N 3.14Å; E997-V1000 PolarHBondContact O-N 2.98Å; E997-Y1001 WeakPolarHBondContact O-CB 3.37Å; E997-Y1001 PolarHBondContact O-N 3.4Å; E997-C1037 HydrophobicContact CG-CB 4.16Å; E997-C1037 WeakPolarHBondContact OE1-CA 3.42Å; E997-C1037 WeakPolarHBondContact OE1-CB 3.49Å; E997-C1037 PolarHBondContact OE1-SG 3.32Å; E997-V1040 HydrophobicContact CG-CB 4.12Å; E997-V1040 HydrophobicContact CG-CG1 3.84Å; E997-M1041 HydrophobicContact CB-CG 3.74Å; E997-M1041 HydrophobicContact CG-CG 3.78Å
998H98.3Very high97.5Very high90 Ų9074 Ų7442%0.41737%0.372SS..Hα-helixtrans-65.9-41.3171.1-164.1-54.7000111.9T994 N995 L996 V1000 Y1001 E1002 M1041T994-H998 WeakPolarHBondContact O-CB 3.26Å; T994-H998 PolarHBondContact O-N 3.01Å; N995-H998 WeakPolarHBondContact O-CB 3.17Å; N995-H998 PolarHBondContact O-N 3.48Å; L996-H998 VanDerWaalsContact C-N 3.31Å; H998-V1000 VanDerWaalsContact C-N 3.25Å; H998-V1000 PolarHBondContact O-N 2.93Å; H998-Y1001 PolarHBondContact O-N 2.94Å; H998-E1002 IonicContact CE1-OE1 3.01Å; H998-E1002 PolarHBondContact CE1-OE1 3.05Å; H998-E1002 WeakPolarHBondContact ND1-CG 3.32Å; H998-E1002 WeakPolarHBondContact O-CG 3.41Å; H998-E1002 PolarHBondContact O-N 3.49Å; H998-M1041 VanDerWaalsContact CA-SD 3.58Å; H998-M1041 HydrophobicContact CB-SD 3.68Å
999D98.2Very high97.2Very high87 Ų8777.4 Ų77.447%0.46538%0.379SS..Hα-helixtrans-62.1-32.7173.2-78.7-21.3000112.1N995 L996 R1003N995-D999 PolarHBondContact O-N 3.49Å; L996-D999 PolarHBondContact O-N 2.85Å; D999-R1003 WeakPolarHBondContact O-CD 3.48Å; D999-R1003 WeakPolarHBondContact O-CG 3.25Å; D999-R1003 PolarHBondContact O-N 2.93Å; D999-R1003 PolarHBondContact O-NE 2.98Å
1000V98.1Very high96.6Very high66 Ų6675.4 Ų75.440%0.439%0.388SS..Hα-helixtrans-72.6-44.2173.2173.20000111L996 E997 H998 E1002 R1003 L1004L996-V1000 WeakPolarHBondContact O-CG2 3.4Å; L996-V1000 PolarHBondContact O-N 3.5Å; L996-V1000 VanDerWaalsContact O-N 3.11Å; E997-V1000 PolarHBondContact O-N 2.98Å; H998-V1000 VanDerWaalsContact C-N 3.25Å; H998-V1000 PolarHBondContact O-N 2.93Å; V1000-E1002 PolarHBondContact O-N 3.5Å; V1000-R1003 PolarHBondContact O-N 3.45Å; V1000-L1004 HydrophobicContact CG1-CD1 4.17Å; V1000-L1004 WeakPolarHBondContact O-CG 3.47Å; V1000-L1004 PolarHBondContact O-N 3.14Å
1001Y98.3Very high95.9Very high35 Ų3575.4 Ų75.414%0.13739%0.388CS..Hα-helixtrans-57.5-48.6175.4177.7-89.1000111.6E997 H998 R1003 L1004 T1005 M1034 C1037 K1038 M1041E997-Y1001 WeakPolarHBondContact O-CB 3.37Å; E997-Y1001 PolarHBondContact O-N 3.4Å; H998-Y1001 PolarHBondContact O-N 2.94Å; Y1001-R1003 VanDerWaalsContact C-N 3.32Å; Y1001-R1003 PolarHBondContact O-N 3.39Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.46Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.46Å; Y1001-L1004 PolarHBondContact O-N 2.84Å; Y1001-T1005 WeakPolarHBondContact CE1-OG1 3.4Å; Y1001-T1005 PolarHBondContact O-N 2.9Å; Y1001-T1005 PolarHBondContact O-OG1 3.37Å; Y1001-T1005 VanDerWaalsContact O-OG1 3.11Å; Y1001-M1034 HydrophobicContact CD2-CB 4.16Å; Y1001-M1034 HydrophobicContact CD2-CG 4.35Å; Y1001-M1034 HydrophobicContact CE2-CB 3.83Å; Y1001-M1034 HydrophobicContact CE2-CE 3.89Å; Y1001-M1034 HydrophobicContact CE2-CG 4.19Å; Y1001-C1037 HydrophobicContact CD2-CB 4.18Å; Y1001-K1038 HydrophobicContact CD2-CG 4.16Å; Y1001-K1038 HydrophobicContact CE2-CD 3.9Å; Y1001-K1038 HydrophobicContact CE2-CG 3.87Å; Y1001-K1038 VanDerWaalsContact OH-CE 3.27Å; Y1001-K1038 WeakPolarHBondContact OH-CE 3.42Å; Y1001-K1038 PolarHBondContact OH-NZ 2.9Å; Y1001-M1041 HydrophobicContact CD2-CE 4.27Å; Y1001-M1041 HydrophobicContact CG-CE 4.05Å
1002E98.1Very high94.8Very high77 Ų7776.1 Ų76.136%0.3639%0.391SS..Hα-helixtrans-60.8-38.9178.2-73.8-56.8124.200112.7H998 V1000 L1004 T1005 N1006H998-E1002 IonicContact CE1-OE1 3.01Å; H998-E1002 PolarHBondContact CE1-OE1 3.05Å; H998-E1002 WeakPolarHBondContact ND1-CG 3.32Å; H998-E1002 WeakPolarHBondContact O-CG 3.41Å; H998-E1002 PolarHBondContact O-N 3.49Å; V1000-E1002 PolarHBondContact O-N 3.5Å; E1002-L1004 VanDerWaalsContact C-N 3.3Å; E1002-L1004 PolarHBondContact O-N 2.95Å; E1002-T1005 PolarHBondContact O-N 3.15Å; E1002-N1006 PolarHBondContact O-N 3.45Å; E1002-N1006 PolarHBondContact O-ND2 3.06Å
1003R97.6Very high93.2Very high182 Ų18272.8 Ų72.869%0.68738%0.381SS*.Hα-helixtrans-64.6-34.9174.5-71.6164.8-167.9-78.2-4.5112.2D999 V1000 Y1001 L1007D999-R1003 WeakPolarHBondContact O-CD 3.48Å; D999-R1003 WeakPolarHBondContact O-CG 3.25Å; D999-R1003 PolarHBondContact O-N 2.93Å; D999-R1003 PolarHBondContact O-NE 2.98Å; V1000-R1003 PolarHBondContact O-N 3.45Å; Y1001-R1003 VanDerWaalsContact C-N 3.32Å; Y1001-R1003 PolarHBondContact O-N 3.39Å; R1003-L1007 VanDerWaalsContact O-CB 3.29Å; R1003-L1007 WeakPolarHBondContact O-CB 3.39Å; R1003-L1007 PolarHBondContact O-N 3.17Å
1004L97.1Very high91.5Very high23 Ų2378.5 Ų78.512%0.1240%0.402CS..Hα-helixtrans-71.3-40174-68.7166.3000111.8V1000 Y1001 E1002 L1007 Q1008 I1030 N1033 M1034V1000-L1004 HydrophobicContact CG1-CD1 4.17Å; V1000-L1004 WeakPolarHBondContact O-CG 3.47Å; V1000-L1004 PolarHBondContact O-N 3.14Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.46Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.46Å; Y1001-L1004 PolarHBondContact O-N 2.84Å; E1002-L1004 VanDerWaalsContact C-N 3.3Å; E1002-L1004 PolarHBondContact O-N 2.95Å; L1004-L1007 PolarHBondContact O-N 2.91Å; L1004-Q1008 WeakPolarHBondContact O-CB 3.48Å; L1004-Q1008 PolarHBondContact O-N 3.07Å; L1004-I1030 HydrophobicContact CB-CG2 4.36Å; L1004-I1030 HydrophobicContact CD2-CG2 4.44Å; L1004-N1033 HydrophobicContact CD1-CB 3.69Å; L1004-N1033 HydrophobicContact CD2-CB 4.09Å; L1004-M1034 HydrophobicContact CB-CG 3.51Å; L1004-M1034 HydrophobicContact CB-SD 4.17Å; L1004-M1034 HydrophobicContact CD1-CG 4.15Å; L1004-M1034 HydrophobicContact CG-CG 4.43Å
1005T96.5Very high89.7Confident23 Ų2386.8 Ų86.814%0.14144%0.437CS..Hα-helixtrans-57.6-51.9172.5-50.40000111Y1001 E1002 L1007 Q1008 E1009 M1034Y1001-T1005 WeakPolarHBondContact CE1-OG1 3.4Å; Y1001-T1005 PolarHBondContact O-N 2.9Å; Y1001-T1005 PolarHBondContact O-OG1 3.37Å; Y1001-T1005 VanDerWaalsContact O-OG1 3.11Å; E1002-T1005 PolarHBondContact O-N 3.15Å; T1005-L1007 VanDerWaalsContact C-N 3.29Å; T1005-L1007 PolarHBondContact O-N 3.42Å; T1005-Q1008 WeakPolarHBondContact O-CB 3.36Å; T1005-Q1008 PolarHBondContact O-N 3.06Å; T1005-Q1008 VanDerWaalsContact O-N 3.09Å; T1005-E1009 PolarHBondContact O-N 3.39Å; T1005-M1034 HydrophobicContact CG2-CE 4.4Å; T1005-M1034 WeakPolarHBondContact OG1-CE 3.36Å
1006N96.1Very high87.8Confident103 Ų10392.7 Ų92.755%0.55146%0.458SS*.Hα-helixtrans-60.9-37178.3-81.1-101.3000112.1E1002 G1010E1002-N1006 PolarHBondContact O-N 3.45Å; E1002-N1006 PolarHBondContact O-ND2 3.06Å; N1006-G1010 PolarHBondContact O-N 3.3Å; N1006-G1010 VanDerWaalsContact O-N 3.1Å
1007L93.9Very high85.6Confident87 Ų8791 Ų9146%0.45546%0.46SS..Hα-helixtrans-68-38.9174.8-176.563.6000111.9R1003 L1004 T1005 G1010 I1011 I1030R1003-L1007 VanDerWaalsContact O-CB 3.29Å; R1003-L1007 WeakPolarHBondContact O-CB 3.39Å; R1003-L1007 PolarHBondContact O-N 3.17Å; L1004-L1007 PolarHBondContact O-N 2.91Å; T1005-L1007 VanDerWaalsContact C-N 3.29Å; T1005-L1007 PolarHBondContact O-N 3.42Å; L1007-G1010 PolarHBondContact O-N 3.48Å; L1007-I1011 HydrophobicContact CD1-CD1 3.83Å; L1007-I1011 HydrophobicContact CG-CD1 3.88Å; L1007-I1011 WeakPolarHBondContact O-CD1 3.28Å; L1007-I1011 VanDerWaalsContact O-CG1 3.29Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.22Å; L1007-I1011 PolarHBondContact O-N 3.34Å; L1007-I1030 HydrophobicContact CD2-CD1 3.91Å; L1007-I1030 HydrophobicContact CD2-CG1 4.24Å; L1007-I1030 HydrophobicContact CG-CD1 3.87Å
1008Q93.2Very high83.6Confident40 Ų4094.2 Ų94.219%0.18749%0.494CS..Hα-helixtrans-62.7-49.8175.6-160.5-176.621.400110.9L1004 T1005 G1010 I1011 I1012 N1027 I1030 Q1031 M1034L1004-Q1008 WeakPolarHBondContact O-CB 3.48Å; L1004-Q1008 PolarHBondContact O-N 3.07Å; T1005-Q1008 WeakPolarHBondContact O-CB 3.36Å; T1005-Q1008 PolarHBondContact O-N 3.06Å; T1005-Q1008 VanDerWaalsContact O-N 3.09Å; Q1008-G1010 VanDerWaalsContact C-N 3.27Å; Q1008-G1010 PolarHBondContact O-N 3.06Å; Q1008-I1011 PolarHBondContact O-N 3.28Å; Q1008-I1012 WeakPolarHBondContact O-CG1 3.4Å; Q1008-I1012 PolarHBondContact O-N 2.99Å; Q1008-N1027 PolarHBondContact NE2-OD1 2.91Å; Q1008-I1030 HydrophobicContact CB-CG2 3.89Å; Q1008-I1030 HydrophobicContact CG-CG2 4.22Å; Q1008-Q1031 VanDerWaalsContact NE2-CG 3.28Å; Q1008-M1034 HydrophobicContact CB-SD 4.46Å
1009E91.2Very high81.8Confident122 Ų12294.5 Ų94.557%0.5750%0.502SS*.Hα-helixtrans-60-34.9177.9-71.1-177.8-167.300113T1005 I1011T1005-E1009 PolarHBondContact O-N 3.39Å; E1009-I1011 VanDerWaalsContact C-N 3.32Å
1010G86.5Confident80.9Confident67 Ų6794.9 Ų94.969%0.69150%0.504SS*.Hα-helixtrans-71.7-20.2175.100000114.9N1006 L1007 Q1008N1006-G1010 PolarHBondContact O-N 3.3Å; N1006-G1010 VanDerWaalsContact O-N 3.1Å; L1007-G1010 PolarHBondContact O-N 3.48Å; Q1008-G1010 VanDerWaalsContact C-N 3.27Å; Q1008-G1010 PolarHBondContact O-N 3.06Å
1011I84.8Confident80.3Confident39 Ų3998.2 Ų98.220%0.252%0.52CS..Hα-helixtrans-98.1-20.9-175.5-73.7170.7000112.7L1007 Q1008 E1009 P1013 L1023 I1026 I1030L1007-I1011 HydrophobicContact CD1-CD1 3.83Å; L1007-I1011 HydrophobicContact CG-CD1 3.88Å; L1007-I1011 WeakPolarHBondContact O-CD1 3.28Å; L1007-I1011 VanDerWaalsContact O-CG1 3.29Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.22Å; L1007-I1011 PolarHBondContact O-N 3.34Å; Q1008-I1011 PolarHBondContact O-N 3.28Å; E1009-I1011 VanDerWaalsContact C-N 3.32Å; I1011-P1013 WeakPolarHBondContact O-CD 3.26Å; I1011-P1013 VanDerWaalsContact O-N 3.15Å; I1011-L1023 HydrophobicContact CG2-CD2 4.36Å; I1011-I1026 HydrophobicContact CD1-CG2 3.83Å; I1011-I1030 HydrophobicContact CD1-CD1 3.6Å
1012I74.9Confident79.8Confident93 Ų93101.8 Ų101.848%0.47754%0.541SS..SBendtrans-58.5115.3176.2-68.7167.1000110.3Q1008 K1014Q1008-I1012 WeakPolarHBondContact O-CG1 3.4Å; Q1008-I1012 PolarHBondContact O-N 2.99Å; I1012-K1014 PolarHBondContact O-N 3.45Å; I1012-K1014 VanDerWaalsContact O-N 3.08Å
1013P63.8Low79.3Confident59 Ų59100.9 Ų100.938%0.38354%0.539SS..  trans-69.2109-170.5-22.835000113.4I1011 K1015 L1023I1011-P1013 WeakPolarHBondContact O-CD 3.26Å; I1011-P1013 VanDerWaalsContact O-N 3.15Å; P1013-K1015 PolarHBondContact O-N 3.06Å; P1013-L1023 HydrophobicContact CG-CD1 4.08Å
1014K63.1Low78.9Confident202 Ų20297.4 Ų97.488%0.87853%0.53SS*.SBendtrans-70.1-8.6176.3-66.7-175.8179.6176.70114.2I1012I1012-K1014 PolarHBondContact O-N 3.45Å; I1012-K1014 VanDerWaalsContact O-N 3.08Å
1015K60.1Low78.7Confident190 Ų190104 Ų10483%0.82655%0.553SS**SBendtrans-142.4141.3163.5-76-170.6175.2-1780108.9P1013P1013-K1015 PolarHBondContact O-N 3.06Å
1016K57.4Low78.5Confident212 Ų212106.3 Ų106.392%0.92256%0.564SS**  trans-73.2126.7175.6-63.6-166.6175.8-163.10110.6
1017A53.2Low78.3Confident71 Ų71102.9 Ų102.959%0.58755%0.545SS*.  trans-141.5153.2168.200000108.1T1019A1017-T1019 PolarHBondContact O-N 3.37Å
1018A55.2Low78.4Confident111 Ų111103.3 Ų103.392%0.91755%0.545SS*.SBendtrans-76.633-163.200000116
1019T61.6Low78.5Confident96 Ų96106 Ų10659%0.58956%0.56SS**  trans-113.338.6171.356.10000110.4A1017 L1023A1017-T1019 PolarHBondContact O-N 3.37Å; T1019-L1023 WeakPolarHBondContact O-CD1 3.41Å; T1019-L1023 WeakPolarHBondContact O-CG 3.48Å
1020D77.4Confident78.8Confident94 Ų94100.5 Ų100.550%0.50354%0.535SS..Hα-helixtrans-73.7-37.7-170.4-150.842.7000111.7D1022 L1023 H1024D1020-D1022 PolarHBondContact O-N 2.92Å; D1020-L1023 PolarHBondContact O-N 3.28Å; D1020-H1024 VanDerWaalsContact O-CB 3.28Å; D1020-H1024 WeakPolarHBondContact O-CB 3.3Å; D1020-H1024 PolarHBondContact O-N 2.91Å
1021D86.4Confident79.3Confident137 Ų137100.2 Ų100.273%0.73352%0.515SS*.Hα-helixtrans-61.5-45.8-174.4-63.5-46000113.7R1025D1021-R1025 VanDerWaalsContact O-CB 3.27Å; D1021-R1025 WeakPolarHBondContact O-CB 3.39Å; D1021-R1025 PolarHBondContact O-N 3.45Å
1022D88.1Confident79.9Confident110 Ų11099.7 Ų99.759%0.58852%0.519SS*.Hα-helixtrans-69.4-37.6177.4-89.9-40.1000111.8D1020 R1025 I1026D1020-D1022 PolarHBondContact O-N 2.92Å; D1022-R1025 PolarHBondContact O-N 3.26Å; D1022-I1026 WeakPolarHBondContact O-CB 3.48Å; D1022-I1026 WeakPolarHBondContact O-CD1 3.47Å; D1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; D1022-I1026 PolarHBondContact O-N 3.14Å
1023L87.4Confident81Confident58 Ų5897.7 Ų97.730%0.30451%0.51SS..Hα-helixtrans-67.5-40.1176.5-66.2172.9000111.2I1011 P1013 T1019 D1020 I1026 N1027I1011-L1023 HydrophobicContact CG2-CD2 4.36Å; P1013-L1023 HydrophobicContact CG-CD1 4.08Å; T1019-L1023 WeakPolarHBondContact O-CD1 3.41Å; T1019-L1023 WeakPolarHBondContact O-CG 3.48Å; D1020-L1023 PolarHBondContact O-N 3.28Å; L1023-I1026 PolarHBondContact O-N 3.44Å; L1023-N1027 WeakPolarHBondContact O-CB 3.49Å; L1023-N1027 PolarHBondContact O-N 2.94Å
1024H89.2Confident82.6Confident108 Ų10895.5 Ų95.550%0.550%0.495SS..Hα-helixtrans-63.1-47.3172.3178.244.1000111D1020 I1026 N1027 E1028D1020-H1024 VanDerWaalsContact O-CB 3.28Å; D1020-H1024 WeakPolarHBondContact O-CB 3.3Å; D1020-H1024 PolarHBondContact O-N 2.91Å; H1024-I1026 VanDerWaalsContact C-N 3.31Å; H1024-I1026 PolarHBondContact O-N 3.32Å; H1024-N1027 CarbonylContact O-C 2.99Å; H1024-N1027 WeakPolarHBondContact O-CA 3.41Å; H1024-N1027 WeakPolarHBondContact O-CB 3.28Å; H1024-N1027 PolarHBondContact O-N 3.49Å; H1024-E1028 IonicContact CE1-OE1 3.99Å; H1024-E1028 PolarHBondContact O-N 3.35Å
1025R92.8Very high84.3Confident162 Ų16292.1 Ų92.161%0.61148%0.482SS*.Hα-helixtrans-60.7-36.8176.3-175.6172.2179.2-88-5.5112.8D1021 D1022 L1029D1021-R1025 VanDerWaalsContact O-CB 3.27Å; D1021-R1025 WeakPolarHBondContact O-CB 3.39Å; D1021-R1025 PolarHBondContact O-N 3.45Å; D1022-R1025 PolarHBondContact O-N 3.26Å; R1025-L1029 WeakPolarHBondContact O-CG 3.34Å; R1025-L1029 PolarHBondContact O-N 2.81Å
1026I92.2Very high86.1Confident71 Ų7190.5 Ų90.536%0.36447%0.471SS..Hα-helixtrans-67.8-41172.6-70.3163000110.7I1011 D1022 L1023 H1024 L1029 I1030I1011-I1026 HydrophobicContact CD1-CG2 3.83Å; D1022-I1026 WeakPolarHBondContact O-CB 3.48Å; D1022-I1026 WeakPolarHBondContact O-CD1 3.47Å; D1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; D1022-I1026 PolarHBondContact O-N 3.14Å; L1023-I1026 PolarHBondContact O-N 3.44Å; H1024-I1026 VanDerWaalsContact C-N 3.31Å; H1024-I1026 PolarHBondContact O-N 3.32Å; I1026-L1029 PolarHBondContact O-N 2.99Å; I1026-I1030 HydrophobicContact CG2-CD1 3.78Å; I1026-I1030 HydrophobicContact CG2-CG1 4.48Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.19Å; I1026-I1030 PolarHBondContact O-N 2.99Å
1027N92.6Very high88.1Confident31 Ų3180.8 Ų80.817%0.16643%0.43CS..Hα-helixtrans-62.9-43.1176.8-167-12.9000112Q1008 L1023 H1024 L1029 I1030 Q1031Q1008-N1027 PolarHBondContact NE2-OD1 2.91Å; L1023-N1027 WeakPolarHBondContact O-CB 3.49Å; L1023-N1027 PolarHBondContact O-N 2.94Å; H1024-N1027 CarbonylContact O-C 2.99Å; H1024-N1027 WeakPolarHBondContact O-CA 3.41Å; H1024-N1027 WeakPolarHBondContact O-CB 3.28Å; H1024-N1027 PolarHBondContact O-N 3.49Å; N1027-L1029 VanDerWaalsContact C-N 3.34Å; N1027-L1029 PolarHBondContact O-N 3.1Å; N1027-I1030 PolarHBondContact O-N 3.25Å; N1027-Q1031 WeakPolarHBondContact O-CG 3.42Å; N1027-Q1031 PolarHBondContact O-N 3.1Å; N1027-Q1031 PolarHBondContact O-NE2 3.3Å; N1027-Q1031 PolarHBondContact OD1-NE2 3.44Å
1028E94.8Very high90.2Very high97 Ų9782.2 Ų82.245%0.45342%0.422SS..Hα-helixtrans-60.1-40.8173.6-69.1-57.2113.200112.2H1024 Q1031 G1032H1024-E1028 IonicContact CE1-OE1 3.99Å; H1024-E1028 PolarHBondContact O-N 3.35Å; E1028-Q1031 PolarHBondContact O-N 2.71Å; E1028-Q1031 PolarHBondContact OE1-NE2 3.41Å; E1028-G1032 PolarHBondContact O-N 3.21Å
1029L96.6Very high92.3Very high95 Ų9581.5 Ų81.550%0.49740%0.403SS..Hα-helixtrans-65.4-38174.4-70.6170000112.2R1025 I1026 N1027 N1033R1025-L1029 WeakPolarHBondContact O-CG 3.34Å; R1025-L1029 PolarHBondContact O-N 2.81Å; I1026-L1029 PolarHBondContact O-N 2.99Å; N1027-L1029 VanDerWaalsContact C-N 3.34Å; N1027-L1029 PolarHBondContact O-N 3.1Å; L1029-N1033 PolarHBondContact O-N 3.33Å; L1029-N1033 PolarHBondContact O-ND2 3Å; L1029-N1033 PolarHBondContact O-OD1 2.89Å
1030I96.4Very high94Very high7 Ų779.2 Ų79.24%0.03639%0.389CS..Hα-helixtrans-67.2-45.3175.6-69163.2000110.7L1004 L1007 Q1008 I1011 I1026 N1027 G1032 N1033 M1034L1004-I1030 HydrophobicContact CB-CG2 4.36Å; L1004-I1030 HydrophobicContact CD2-CG2 4.44Å; L1007-I1030 HydrophobicContact CD2-CD1 3.91Å; L1007-I1030 HydrophobicContact CD2-CG1 4.24Å; L1007-I1030 HydrophobicContact CG-CD1 3.87Å; Q1008-I1030 HydrophobicContact CB-CG2 3.89Å; Q1008-I1030 HydrophobicContact CG-CG2 4.22Å; I1011-I1030 HydrophobicContact CD1-CD1 3.6Å; I1026-I1030 HydrophobicContact CG2-CD1 3.78Å; I1026-I1030 HydrophobicContact CG2-CG1 4.48Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.19Å; I1026-I1030 PolarHBondContact O-N 2.99Å; N1027-I1030 PolarHBondContact O-N 3.25Å; I1030-G1032 PolarHBondContact O-N 3.44Å; I1030-N1033 WeakPolarHBondContact O-CB 3.45Å; I1030-N1033 PolarHBondContact O-N 2.91Å; I1030-N1033 VanDerWaalsContact O-N 3.11Å; I1030-M1034 HydrophobicContact CG2-CG 4.34Å; I1030-M1034 HydrophobicContact CG2-SD 3.76Å; I1030-M1034 WeakPolarHBondContact O-CG 3.49Å; I1030-M1034 PolarHBondContact O-N 3.36Å
1031Q96.8Very high95Very high61 Ų6175.9 Ų75.929%0.28537%0.37SS..Hα-helixtrans-58.1-46.6174-73174.979.300111.7Q1008 N1027 E1028 N1033 M1034 Q1035Q1008-Q1031 VanDerWaalsContact NE2-CG 3.28Å; N1027-Q1031 WeakPolarHBondContact O-CG 3.42Å; N1027-Q1031 PolarHBondContact O-N 3.1Å; N1027-Q1031 PolarHBondContact O-NE2 3.3Å; N1027-Q1031 PolarHBondContact OD1-NE2 3.44Å; E1028-Q1031 PolarHBondContact O-N 2.71Å; E1028-Q1031 PolarHBondContact OE1-NE2 3.41Å; Q1031-N1033 VanDerWaalsContact C-N 3.26Å; Q1031-N1033 PolarHBondContact O-N 3.35Å; Q1031-M1034 PolarHBondContact O-N 3.49Å; Q1031-Q1035 VanDerWaalsContact O-CG 3.32Å; Q1031-Q1035 WeakPolarHBondContact O-CG 3.39Å; Q1031-Q1035 PolarHBondContact O-N 3.42Å
1032G97.9Very high95.6Very high28 Ų2874.4 Ų74.429%0.28936%0.362SS..Hα-helixtrans-61-33.6175.200000113.1E1028 I1030 R1036E1028-G1032 PolarHBondContact O-N 3.21Å; I1030-G1032 PolarHBondContact O-N 3.44Å; G1032-R1036 WeakPolarHBondContact O-CG 3.23Å; G1032-R1036 PolarHBondContact O-N 2.91Å
1033N98.1Very high96.1Very high52 Ų5274.2 Ų74.228%0.27836%0.358SS..Hα-helixtrans-69.9-47.2172.2-64.5-21000111.4L1004 L1029 I1030 Q1031 Q1035 R1036 C1037L1004-N1033 HydrophobicContact CD1-CB 3.69Å; L1004-N1033 HydrophobicContact CD2-CB 4.09Å; L1029-N1033 PolarHBondContact O-N 3.33Å; L1029-N1033 PolarHBondContact O-ND2 3Å; L1029-N1033 PolarHBondContact O-OD1 2.89Å; I1030-N1033 WeakPolarHBondContact O-CB 3.45Å; I1030-N1033 PolarHBondContact O-N 2.91Å; I1030-N1033 VanDerWaalsContact O-N 3.11Å; Q1031-N1033 VanDerWaalsContact C-N 3.26Å; Q1031-N1033 PolarHBondContact O-N 3.35Å; N1033-Q1035 VanDerWaalsContact C-N 3.31Å; N1033-Q1035 PolarHBondContact O-N 2.85Å; N1033-R1036 PolarHBondContact O-N 3.29Å; N1033-R1036 PolarHBondContact OD1-NH2 3.19Å; N1033-C1037 PolarHBondContact O-N 3.11Å; N1033-C1037 PolarHBondContact O-SG 3.46Å; N1033-C1037 VanDerWaalsContact O-SG 3.32Å
1034M98.1Very high96.6Very high13 Ų1372.3 Ų72.36%0.06435%0.348CS..Hα-helixtrans-60.8-36.8178.8-71.3170.974.900112.8Y1001 L1004 T1005 Q1008 I1030 Q1031 K1038Y1001-M1034 HydrophobicContact CD2-CB 4.16Å; Y1001-M1034 HydrophobicContact CD2-CG 4.35Å; Y1001-M1034 HydrophobicContact CE2-CB 3.83Å; Y1001-M1034 HydrophobicContact CE2-CE 3.89Å; Y1001-M1034 HydrophobicContact CE2-CG 4.19Å; L1004-M1034 HydrophobicContact CB-CG 3.51Å; L1004-M1034 HydrophobicContact CB-SD 4.17Å; L1004-M1034 HydrophobicContact CD1-CG 4.15Å; L1004-M1034 HydrophobicContact CG-CG 4.43Å; T1005-M1034 HydrophobicContact CG2-CE 4.4Å; T1005-M1034 WeakPolarHBondContact OG1-CE 3.36Å; Q1008-M1034 HydrophobicContact CB-SD 4.46Å; I1030-M1034 HydrophobicContact CG2-CG 4.34Å; I1030-M1034 HydrophobicContact CG2-SD 3.76Å; I1030-M1034 WeakPolarHBondContact O-CG 3.49Å; I1030-M1034 PolarHBondContact O-N 3.36Å; Q1031-M1034 PolarHBondContact O-N 3.49Å; M1034-K1038 PolarHBondContact O-N 3.08Å; M1034-K1038 VanDerWaalsContact O-N 3.08Å
1035Q98.4Very high97Very high130 Ų13068.5 Ų68.561%0.60733%0.334SS*.Hα-helixtrans-64.4-42.1172.3-71.4174.324.900111.7Q1031 N1033 K1038 L1039Q1031-Q1035 VanDerWaalsContact O-CG 3.32Å; Q1031-Q1035 WeakPolarHBondContact O-CG 3.39Å; Q1031-Q1035 PolarHBondContact O-N 3.42Å; N1033-Q1035 VanDerWaalsContact C-N 3.31Å; N1033-Q1035 PolarHBondContact O-N 2.85Å; Q1035-K1038 PolarHBondContact O-N 3.32Å; Q1035-L1039 PolarHBondContact O-N 2.9Å
1036R98.4Very high97.3Very high156 Ų15667.2 Ų67.259%0.58933%0.334SS*.Hα-helixtrans-65.9-42.3175.7-70.1-175-56.3118.5-7.5112G1032 N1033 K1038 L1039 V1040G1032-R1036 WeakPolarHBondContact O-CG 3.23Å; G1032-R1036 PolarHBondContact O-N 2.91Å; N1033-R1036 PolarHBondContact O-N 3.29Å; N1033-R1036 PolarHBondContact OD1-NH2 3.19Å; R1036-K1038 VanDerWaalsContact C-N 3.35Å; R1036-K1038 PolarHBondContact O-N 2.86Å; R1036-L1039 PolarHBondContact O-N 3.2Å; R1036-V1040 WeakPolarHBondContact O-CB 3.33Å; R1036-V1040 VanDerWaalsContact O-CG2 3.3Å; R1036-V1040 WeakPolarHBondContact O-CG2 3.4Å; R1036-V1040 PolarHBondContact O-N 3.47Å
1037C98.3Very high97.6Very high9 Ų966.3 Ų66.36%0.06134%0.338CS..Hα-helixtrans-61.1-41.8176.2-63.40000112.1E997 Y1001 N1033 V1040 M1041E997-C1037 HydrophobicContact CG-CB 4.16Å; E997-C1037 WeakPolarHBondContact OE1-CA 3.42Å; E997-C1037 WeakPolarHBondContact OE1-CB 3.49Å; E997-C1037 PolarHBondContact OE1-SG 3.32Å; Y1001-C1037 HydrophobicContact CD2-CB 4.18Å; N1033-C1037 PolarHBondContact O-N 3.11Å; N1033-C1037 PolarHBondContact O-SG 3.46Å; N1033-C1037 VanDerWaalsContact O-SG 3.32Å; C1037-V1040 PolarHBondContact O-N 3.12Å; C1037-M1041 WeakPolarHBondContact O-CG 3.34Å; C1037-M1041 PolarHBondContact O-N 3.25Å
1038K98.2Very high97.8Very high100 Ų10067.2 Ų67.244%0.43534%0.339SS..Hα-helixtrans-57.7-53.5172.1-81.1170.1169.2159.50112Y1001 M1034 Q1035 R1036 V1040 M1041 D1042Y1001-K1038 HydrophobicContact CD2-CG 4.16Å; Y1001-K1038 HydrophobicContact CE2-CD 3.9Å; Y1001-K1038 HydrophobicContact CE2-CG 3.87Å; Y1001-K1038 VanDerWaalsContact OH-CE 3.27Å; Y1001-K1038 WeakPolarHBondContact OH-CE 3.42Å; Y1001-K1038 PolarHBondContact OH-NZ 2.9Å; M1034-K1038 PolarHBondContact O-N 3.08Å; M1034-K1038 VanDerWaalsContact O-N 3.08Å; Q1035-K1038 PolarHBondContact O-N 3.32Å; R1036-K1038 VanDerWaalsContact C-N 3.35Å; R1036-K1038 PolarHBondContact O-N 2.86Å; K1038-V1040 VanDerWaalsContact C-N 3.26Å; K1038-V1040 PolarHBondContact O-N 3.08Å; K1038-M1041 HydrophobicContact CG-CE 4.29Å; K1038-M1041 PolarHBondContact O-N 3.42Å; K1038-M1041 VanDerWaalsContact O-N 3.14Å; K1038-D1042 PolarHBondContact O-N 3.03Å
1039L98.4Very high98Very high96 Ų9665.6 Ų65.650%0.50333%0.333SS..Hα-helixtrans-58.1-37.7179-178.162.4000112.6Q1035 R1036 Q1043Q1035-L1039 PolarHBondContact O-N 2.9Å; R1036-L1039 PolarHBondContact O-N 3.2Å; L1039-Q1043 HydrophobicContact CD1-CG 4.37Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.46Å; L1039-Q1043 VanDerWaalsContact O-CG 3.22Å; L1039-Q1043 WeakPolarHBondContact O-CG 3.27Å; L1039-Q1043 PolarHBondContact O-N 2.96Å
1040V98.4Very high98Very high49 Ų4963.3 Ų63.330%0.29733%0.325SS..Hα-helixtrans-69.7-44176.5170.60000111.4E997 R1036 C1037 K1038 D1042 Q1043 I1044E997-V1040 HydrophobicContact CG-CB 4.12Å; E997-V1040 HydrophobicContact CG-CG1 3.84Å; R1036-V1040 WeakPolarHBondContact O-CB 3.33Å; R1036-V1040 VanDerWaalsContact O-CG2 3.3Å; R1036-V1040 WeakPolarHBondContact O-CG2 3.4Å; R1036-V1040 PolarHBondContact O-N 3.47Å; C1037-V1040 PolarHBondContact O-N 3.12Å; K1038-V1040 VanDerWaalsContact C-N 3.26Å; K1038-V1040 PolarHBondContact O-N 3.08Å; V1040-D1042 VanDerWaalsContact C-N 3.33Å; V1040-D1042 PolarHBondContact O-N 3.46Å; V1040-Q1043 PolarHBondContact O-N 3.21Å; V1040-I1044 HydrophobicContact CG1-CD1 3.57Å; V1040-I1044 HydrophobicContact CG1-CG1 4.32Å; V1040-I1044 WeakPolarHBondContact O-CB 3.43Å; V1040-I1044 WeakPolarHBondContact O-CD1 3.42Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.49Å; V1040-I1044 PolarHBondContact O-N 3.37Å
1041M98.2Very high98Very high23 Ų2365.1 Ų65.111%0.11333%0.334CS..Hα-helixtrans-59.1-42.5174.2-75.7-172.8-73.400112.4T994 E997 H998 Y1001 C1037 K1038 S1045T994-M1041 HydrophobicContact CG2-CB 4.17Å; T994-M1041 HydrophobicContact CG2-CG 4.11Å; E997-M1041 HydrophobicContact CB-CG 3.74Å; E997-M1041 HydrophobicContact CG-CG 3.78Å; H998-M1041 VanDerWaalsContact CA-SD 3.58Å; H998-M1041 HydrophobicContact CB-SD 3.68Å; Y1001-M1041 HydrophobicContact CD2-CE 4.27Å; Y1001-M1041 HydrophobicContact CG-CE 4.05Å; C1037-M1041 WeakPolarHBondContact O-CG 3.34Å; C1037-M1041 PolarHBondContact O-N 3.25Å; K1038-M1041 HydrophobicContact CG-CE 4.29Å; K1038-M1041 PolarHBondContact O-N 3.42Å; K1038-M1041 VanDerWaalsContact O-N 3.14Å; M1041-S1045 WeakPolarHBondContact O-CB 3.32Å; M1041-S1045 PolarHBondContact O-N 3.43Å; M1041-S1045 PolarHBondContact O-OG 3.35Å
1042D98.4Very high98Very high107 Ų10764.7 Ų64.757%0.57233%0.333SS*.Hα-helixtrans-64.9-49.1177.3-69.1-28.9000111.1K1038 V1040 I1044 S1045 E1046K1038-D1042 PolarHBondContact O-N 3.03Å; V1040-D1042 VanDerWaalsContact C-N 3.33Å; V1040-D1042 PolarHBondContact O-N 3.46Å; D1042-I1044 PolarHBondContact O-N 3.3Å; D1042-S1045 WeakPolarHBondContact O-CB 3.48Å; D1042-S1045 PolarHBondContact O-N 3.31Å; D1042-S1045 VanDerWaalsContact O-N 3.14Å; D1042-E1046 PolarHBondContact O-N 2.88Å
1043Q98.4Very high98Very high106 Ų10668.7 Ų68.750%0.49534%0.343SS..Hα-helixtrans-62.7-40.1178.9-75.7176.1300113L1039 V1040 S1045 A1047L1039-Q1043 HydrophobicContact CD1-CG 4.37Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.46Å; L1039-Q1043 VanDerWaalsContact O-CG 3.22Å; L1039-Q1043 WeakPolarHBondContact O-CG 3.27Å; L1039-Q1043 PolarHBondContact O-N 2.96Å; V1040-Q1043 PolarHBondContact O-N 3.21Å; Q1043-S1045 VanDerWaalsContact C-N 3.31Å; Q1043-A1047 VanDerWaalsContact O-CB 3.26Å; Q1043-A1047 WeakPolarHBondContact O-CB 3.48Å; Q1043-A1047 PolarHBondContact O-N 3.11Å
1044I98.4Very high97.8Very high18 Ų1870.1 Ų70.19%0.09235%0.353CS..Hα-helixtrans-64.7-39.5174.8-66.3162.7000110.3L990 L993 T994 V1040 D1042 A1047 R1048L990-I1044 HydrophobicContact CB-CG2 3.96Å; L990-I1044 HydrophobicContact CD2-CG2 4.27Å; L990-I1044 VanDerWaalsContact O-CG2 3.28Å; L990-I1044 WeakPolarHBondContact O-CG2 3.32Å; L993-I1044 HydrophobicContact CB-CD1 4.38Å; L993-I1044 HydrophobicContact CD2-CD1 3.72Å; L993-I1044 HydrophobicContact CD2-CG1 4.25Å; L993-I1044 HydrophobicContact CG-CD1 3.77Å; T994-I1044 VanDerWaalsContact OG1-CG2 3.23Å; T994-I1044 WeakPolarHBondContact OG1-CG2 3.27Å; V1040-I1044 HydrophobicContact CG1-CD1 3.57Å; V1040-I1044 HydrophobicContact CG1-CG1 4.32Å; V1040-I1044 WeakPolarHBondContact O-CB 3.43Å; V1040-I1044 WeakPolarHBondContact O-CD1 3.42Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.49Å; V1040-I1044 PolarHBondContact O-N 3.37Å; D1042-I1044 PolarHBondContact O-N 3.3Å; I1044-A1047 PolarHBondContact O-N 3.27Å; I1044-R1048 VanDerWaalsContact O-CB 3.28Å; I1044-R1048 WeakPolarHBondContact O-CB 3.08Å; I1044-R1048 PolarHBondContact O-N 3.04Å
1045S98Very high97.7Very high28 Ų2871 Ų7120%0.19636%0.358CS..Hα-helixtrans-67.8-44.1178.1-61.70000112M1041 D1042 Q1043 A1047 R1048 D1049M1041-S1045 WeakPolarHBondContact O-CB 3.32Å; M1041-S1045 PolarHBondContact O-N 3.43Å; M1041-S1045 PolarHBondContact O-OG 3.35Å; D1042-S1045 WeakPolarHBondContact O-CB 3.48Å; D1042-S1045 PolarHBondContact O-N 3.31Å; D1042-S1045 VanDerWaalsContact O-N 3.14Å; Q1043-S1045 VanDerWaalsContact C-N 3.31Å; S1045-A1047 PolarHBondContact O-N 3.43Å; S1045-R1048 WeakPolarHBondContact O-CB 3.16Å; S1045-R1048 PolarHBondContact O-N 2.92Å; S1045-D1049 WeakPolarHBondContact O-CB 3.45Å; S1045-D1049 PolarHBondContact O-N 3.34Å
1046E98.1Very high97.6Very high135 Ų13570 Ų7063%0.63136%0.357SS*.Hα-helixtrans-62.9-41.9174.7-173.7-177.7-17100111.6D1042 D1049 S1050D1042-E1046 PolarHBondContact O-N 2.88Å; E1046-D1049 PolarHBondContact O-N 2.87Å; E1046-S1050 WeakPolarHBondContact O-CB 3.37Å; E1046-S1050 PolarHBondContact O-N 2.94Å; E1046-S1050 PolarHBondContact O-OG 2.85Å
1047A98.3Very high97.4Very high52 Ų5266.7 Ų66.743%0.4335%0.348SS..Hα-helixtrans-64.3-44176.500000111.8Q1043 I1044 S1045 M1051Q1043-A1047 VanDerWaalsContact O-CB 3.26Å; Q1043-A1047 WeakPolarHBondContact O-CB 3.48Å; Q1043-A1047 PolarHBondContact O-N 3.11Å; I1044-A1047 PolarHBondContact O-N 3.27Å; S1045-A1047 PolarHBondContact O-N 3.43Å; A1047-M1051 VanDerWaalsContact O-CB 3.25Å; A1047-M1051 WeakPolarHBondContact O-CB 3.2Å; A1047-M1051 PolarHBondContact O-N 2.88Å
1048R98.1Very high97.2Very high50 Ų5068.8 Ų68.819%0.18936%0.356CS..Hα-helixtrans-56.6-50.4174180-16171.3-144.7-3.5111A987 L990 I1044 S1045 M1051 L1052A987-R1048 HydrophobicContact CB-CG 3.93Å; L990-R1048 HydrophobicContact CB-CB 4.11Å; L990-R1048 HydrophobicContact CB-CG 4.38Å; L990-R1048 HydrophobicContact CD1-CB 4Å; I1044-R1048 VanDerWaalsContact O-CB 3.28Å; I1044-R1048 WeakPolarHBondContact O-CB 3.08Å; I1044-R1048 PolarHBondContact O-N 3.04Å; S1045-R1048 WeakPolarHBondContact O-CB 3.16Å; S1045-R1048 PolarHBondContact O-N 2.92Å; R1048-M1051 PolarHBondContact O-N 3.17Å; R1048-L1052 HydrophobicContact CG-CD1 4.29Å; R1048-L1052 WeakPolarHBondContact O-CG 3.28Å; R1048-L1052 PolarHBondContact O-N 3.42Å
1049D97.8Very high97Very high63 Ų6368.4 Ų68.434%0.33736%0.359SS..Hα-helixtrans-74.3-35.6-174.4-67.4-12.7000111.7S1045 E1046 M1051 L1052 K1053S1045-D1049 WeakPolarHBondContact O-CB 3.45Å; S1045-D1049 PolarHBondContact O-N 3.34Å; E1046-D1049 PolarHBondContact O-N 2.87Å; D1049-M1051 VanDerWaalsContact C-N 3.34Å; D1049-L1052 PolarHBondContact O-N 3.05Å; D1049-K1053 VanDerWaalsContact O-CG 3.32Å; D1049-K1053 WeakPolarHBondContact O-CG 3.33Å; D1049-K1053 PolarHBondContact O-N 3.05Å
1050S96.9Very high96.9Very high47 Ų4771.4 Ų71.433%0.32936%0.363SS..Hα-helixtrans-68.8-32.1174-60.40000112.7E1046 K1053E1046-S1050 WeakPolarHBondContact O-CB 3.37Å; E1046-S1050 PolarHBondContact O-N 2.94Å; E1046-S1050 PolarHBondContact O-OG 2.85Å; S1050-K1053 PolarHBondContact OG-NZ 3.45Å
1051M97.1Very high96.6Very high45 Ų4571.1 Ų71.122%0.22236%0.362CS..Hα-helixtrans-70-35.5169.3-175.1-178.65400112.1V983 C986 A987 L990 A1047 R1048 D1049 V1054V983-M1051 HydrophobicContact CG1-CG 4.01Å; C986-M1051 HydrophobicContact CB-CE 3.7Å; C986-M1051 HydrophobicContact CB-SD 3.89Å; A987-M1051 HydrophobicContact CB-CE 3.93Å; A987-M1051 VanDerWaalsContact N-CE 3.34Å; L990-M1051 HydrophobicContact CD1-CE 3.68Å; A1047-M1051 VanDerWaalsContact O-CB 3.25Å; A1047-M1051 WeakPolarHBondContact O-CB 3.2Å; A1047-M1051 PolarHBondContact O-N 2.88Å; R1048-M1051 PolarHBondContact O-N 3.17Å; D1049-M1051 VanDerWaalsContact C-N 3.34Å; M1051-V1054 WeakPolarHBondContact O-CB 3.32Å; M1051-V1054 WeakPolarHBondContact O-CG2 3.38Å; M1051-V1054 PolarHBondContact O-N 3.5Å
1052L97Very high96.4Very high51 Ų5172.2 Ų72.227%0.26737%0.368SS..Hα-helixtrans-69.5-35.6175.5-75.5169.6000112.9V983 H984 A987 R1048 D1049 V1054 L1055V983-L1052 HydrophobicContact CG1-CD2 4.26Å; H984-L1052 WeakPolarHBondContact ND1-CD2 3.38Å; A987-L1052 HydrophobicContact CB-CD1 4.07Å; A987-L1052 HydrophobicContact CB-CD2 3.88Å; A987-L1052 HydrophobicContact CB-CG 3.94Å; R1048-L1052 HydrophobicContact CG-CD1 4.29Å; R1048-L1052 WeakPolarHBondContact O-CG 3.28Å; R1048-L1052 PolarHBondContact O-N 3.42Å; D1049-L1052 PolarHBondContact O-N 3.05Å; L1052-V1054 PolarHBondContact O-N 2.88Å; L1052-L1055 WeakPolarHBondContact O-CB 3.41Å; L1052-L1055 PolarHBondContact O-N 3.11Å
1053K97.2Very high96.2Very high113 Ų11373.7 Ų73.749%0.49137%0.369SS..Hα-helixtrans-55.5-23.9173.8-70.6165.8-153.6158.40113.3D1049 S1050 L1055 D1056D1049-K1053 VanDerWaalsContact O-CG 3.32Å; D1049-K1053 WeakPolarHBondContact O-CG 3.33Å; D1049-K1053 PolarHBondContact O-N 3.05Å; S1050-K1053 PolarHBondContact OG-NZ 3.45Å; K1053-L1055 PolarHBondContact O-N 2.9Å; K1053-L1055 VanDerWaalsContact O-N 3.09Å; K1053-D1056 WeakPolarHBondContact CA-OD2 3.47Å; K1053-D1056 WeakPolarHBondContact O-CB 3.48Å; K1053-D1056 VanDerWaalsContact O-CG 3.23Å; K1053-D1056 PolarHBondContact O-N 3.24Å
1054V93.8Very high95.9Very high82 Ų8272.5 Ų72.550%0.49737%0.365SS..THydrogen-bonded Turntrans-59.8-19.2172.3-174.20000111.7M1051 L1052 H1057M1051-V1054 WeakPolarHBondContact O-CB 3.32Å; M1051-V1054 WeakPolarHBondContact O-CG2 3.38Å; M1051-V1054 PolarHBondContact O-N 3.5Å; L1052-V1054 PolarHBondContact O-N 2.88Å; V1054-H1057 PolarHBondContact O-CE1 2.76Å; V1054-H1057 PolarHBondContact O-ND1 3.36Å
1055L95.6Very high95.7Very high31 Ų3172.2 Ų72.216%0.16236%0.364CS..THydrogen-bonded Turntrans-94.1-3.6176.5-55-178.9000114.3V983 H984 L1052 K1053 H1057 K1058V983-L1055 HydrophobicContact CB-CD1 4.14Å; V983-L1055 HydrophobicContact CG1-CD1 3.74Å; V983-L1055 HydrophobicContact CG1-CG 4.03Å; H984-L1055 WeakPolarHBondContact CE1-CD1 3.48Å; H984-L1055 WeakPolarHBondContact NE2-CD1 3.43Å; L1052-L1055 WeakPolarHBondContact O-CB 3.41Å; L1052-L1055 PolarHBondContact O-N 3.11Å; K1053-L1055 PolarHBondContact O-N 2.9Å; K1053-L1055 VanDerWaalsContact O-N 3.09Å; L1055-H1057 PolarHBondContact O-N 3.28Å; L1055-K1058 WeakPolarHBondContact O-CB 3.42Å; L1055-K1058 PolarHBondContact O-N 3.28Å
1056D95.8Very high95.3Very high109 Ų10976 Ų7658%0.58338%0.382SS*.THydrogen-bonded Turntrans-63.7-13.1179.4-63.7-11000113.9K1053 R1060K1053-D1056 WeakPolarHBondContact CA-OD2 3.47Å; K1053-D1056 WeakPolarHBondContact O-CB 3.48Å; K1053-D1056 VanDerWaalsContact O-CG 3.23Å; K1053-D1056 PolarHBondContact O-N 3.24Å; D1056-R1060 PolarHBondContact O-NH1 3.45Å; D1056-R1060 PolarHBondContact O-NH2 3.39Å
1057H94.6Very high95Very high87 Ų8777.6 Ų77.640%0.40339%0.387SS..THydrogen-bonded Turntrans-104.94.3174.971.6-69.5000113.7V1054 L1055 D1059 R1060 V1061V1054-H1057 PolarHBondContact O-CE1 2.76Å; V1054-H1057 PolarHBondContact O-ND1 3.36Å; L1055-H1057 PolarHBondContact O-N 3.28Å; H1057-D1059 PolarHBondContact O-N 2.92Å; H1057-R1060 VanDerWaalsContact CB-NH2 3.34Å; H1057-R1060 WeakPolarHBondContact O-CA 3.42Å; H1057-R1060 WeakPolarHBondContact O-CB 3.2Å; H1057-R1060 PolarHBondContact O-N 2.85Å; H1057-V1061 WeakPolarHBondContact CD2-CG2 3.29Å; H1057-V1061 PolarHBondContact O-N 3.46Å
1058K94.7Very high94.6Very high53 Ų5377.4 Ų77.423%0.2338%0.379CS..Hα-helixtrans-47.4-52.6-179-179.7-17477.7166.60112.8A978 L1055 R1060 V1061 L1062A978-K1058 WeakPolarHBondContact O-CG 3.5Å; L1055-K1058 WeakPolarHBondContact O-CB 3.42Å; L1055-K1058 PolarHBondContact O-N 3.28Å; K1058-R1060 VanDerWaalsContact C-N 3.26Å; K1058-R1060 PolarHBondContact O-N 3.5Å; K1058-V1061 CarbonylContact O-C 3.6Å; K1058-V1061 WeakPolarHBondContact O-CB 3.43Å; K1058-V1061 PolarHBondContact O-N 2.78Å; K1058-L1062 WeakPolarHBondContact O-CB 3.29Å; K1058-L1062 PolarHBondContact O-N 2.86Å
1059D94.8Very high93.9Very high92 Ų9276 Ų7649%0.49238%0.379SS..Hα-helixtrans-72.7-22.6-174.9-59-41.2000112.5H1057 K1063H1057-D1059 PolarHBondContact O-N 2.92Å; D1059-K1063 VanDerWaalsContact O-CB 3.28Å; D1059-K1063 WeakPolarHBondContact O-CB 3.49Å; D1059-K1063 VanDerWaalsContact O-CD 3.26Å; D1059-K1063 WeakPolarHBondContact O-CD 3.36Å; D1059-K1063 WeakPolarHBondContact O-CG 3.39Å; D1059-K1063 PolarHBondContact O-N 3.29Å; D1059-K1063 VanDerWaalsContact O-N 3.09Å
1060R94.7Very high92.5Very high158 Ų15876.6 Ų76.660%0.59639%0.385SS*.Hα-helixtrans-71.8-45.1170.1-59.8-170.2-73.2-73.47.7109.9D1056 H1057 K1058 K1063 L1064D1056-R1060 PolarHBondContact O-NH1 3.45Å; D1056-R1060 PolarHBondContact O-NH2 3.39Å; H1057-R1060 VanDerWaalsContact CB-NH2 3.34Å; H1057-R1060 WeakPolarHBondContact O-CA 3.42Å; H1057-R1060 WeakPolarHBondContact O-CB 3.2Å; H1057-R1060 PolarHBondContact O-N 2.85Å; K1058-R1060 VanDerWaalsContact C-N 3.26Å; K1058-R1060 PolarHBondContact O-N 3.5Å; R1060-K1063 PolarHBondContact O-N 3.04Å; R1060-L1064 WeakPolarHBondContact O-CG 3.48Å; R1060-L1064 PolarHBondContact O-N 3.33Å
1061V93.8Very high90.7Very high44 Ų4480.6 Ų80.627%0.26741%0.408SS..Hα-helixtrans-61.9-47.8174.4173.80000111.4A978 H1057 K1058 K1063 L1064 L1065A978-V1061 HydrophobicContact CB-CG1 4.15Å; H1057-V1061 WeakPolarHBondContact CD2-CG2 3.29Å; H1057-V1061 PolarHBondContact O-N 3.46Å; K1058-V1061 CarbonylContact O-C 3.6Å; K1058-V1061 WeakPolarHBondContact O-CB 3.43Å; K1058-V1061 PolarHBondContact O-N 2.78Å; V1061-K1063 VanDerWaalsContact C-N 3.34Å; V1061-K1063 PolarHBondContact O-N 3.25Å; V1061-L1064 WeakPolarHBondContact O-CB 3.44Å; V1061-L1064 PolarHBondContact O-N 3.24Å; V1061-L1064 VanDerWaalsContact O-N 3.09Å; V1061-L1065 HydrophobicContact CG1-CD1 3.74Å; V1061-L1065 HydrophobicContact CG1-CG 4.13Å; V1061-L1065 WeakPolarHBondContact O-CG 3.4Å; V1061-L1065 PolarHBondContact O-N 3.43Å
1062L93.1Very high88.8Confident46 Ų4686.6 Ų86.624%0.24143%0.432CS..Hα-helixtrans-64.7-37.4-179.9-173.360.6000111.8K1058 L1065 N1066K1058-L1062 WeakPolarHBondContact O-CB 3.29Å; K1058-L1062 PolarHBondContact O-N 2.86Å; L1062-L1065 PolarHBondContact O-N 2.81Å; L1062-N1066 VanDerWaalsContact O-CB 3.32Å; L1062-N1066 WeakPolarHBondContact O-CB 3.41Å; L1062-N1066 PolarHBondContact O-N 3.22Å; L1062-N1066 PolarHBondContact O-ND2 3.09Å
1063K93.7Very high86.4Confident138 Ų13892.3 Ų92.360%0.646%0.455SS*.Hα-helixtrans-63.5-37.8171-75.5167.2-171.7174.50112.2D1059 R1060 V1061 K1067D1059-K1063 VanDerWaalsContact O-CB 3.28Å; D1059-K1063 WeakPolarHBondContact O-CB 3.49Å; D1059-K1063 VanDerWaalsContact O-CD 3.26Å; D1059-K1063 WeakPolarHBondContact O-CD 3.36Å; D1059-K1063 WeakPolarHBondContact O-CG 3.39Å; D1059-K1063 PolarHBondContact O-N 3.29Å; D1059-K1063 VanDerWaalsContact O-N 3.09Å; R1060-K1063 PolarHBondContact O-N 3.04Å; V1061-K1063 VanDerWaalsContact C-N 3.34Å; V1061-K1063 PolarHBondContact O-N 3.25Å; K1063-K1067 WeakPolarHBondContact O-CB 3.37Å; K1063-K1067 WeakPolarHBondContact O-CG 3.2Å; K1063-K1067 PolarHBondContact O-N 2.96Å; K1063-K1067 VanDerWaalsContact O-N 3.1Å
1064L93.5Very high83.9Confident80 Ų8092.9 Ų92.942%0.41947%0.468SS..Hα-helixtrans-69.3-48.7174.1-70.7168.5000111.8R1060 V1061 N1066 K1067 N1068R1060-L1064 WeakPolarHBondContact O-CG 3.48Å; R1060-L1064 PolarHBondContact O-N 3.33Å; V1061-L1064 WeakPolarHBondContact O-CB 3.44Å; V1061-L1064 PolarHBondContact O-N 3.24Å; V1061-L1064 VanDerWaalsContact O-N 3.09Å; L1064-N1066 VanDerWaalsContact C-N 3.27Å; L1064-N1066 PolarHBondContact O-N 2.94Å; L1064-K1067 PolarHBondContact O-N 3.3Å; L1064-K1067 VanDerWaalsContact O-N 3.11Å; L1064-N1068 WeakPolarHBondContact O-CB 3.46Å; L1064-N1068 PolarHBondContact O-N 2.83Å; L1064-N1068 PolarHBondContact O-OD1 3.32Å
1065L92.8Very high81.4Confident12 Ų1293.2 Ų93.26%0.06347%0.474CS..Hα-helixtrans-58.1-37.6177-67.5171.5000112.2I968 A969 V974 A978 V1061 L1062 G1069I968-L1065 HydrophobicContact CG2-CD2 4.07Å; A969-L1065 HydrophobicContact CB-CD2 4.13Å; V974-L1065 HydrophobicContact CG1-CD1 4.32Å; V974-L1065 HydrophobicContact CG1-CD2 4.07Å; V974-L1065 HydrophobicContact CG2-CD1 3.97Å; V974-L1065 HydrophobicContact CG2-CD2 3.77Å; A978-L1065 HydrophobicContact CB-CD1 3.77Å; V1061-L1065 HydrophobicContact CG1-CD1 3.74Å; V1061-L1065 HydrophobicContact CG1-CG 4.13Å; V1061-L1065 WeakPolarHBondContact O-CG 3.4Å; V1061-L1065 PolarHBondContact O-N 3.43Å; L1062-L1065 PolarHBondContact O-N 2.81Å; L1065-G1069 WeakPolarHBondContact O-CA 3.18Å; L1065-G1069 PolarHBondContact O-N 3.1Å
1066N90.3Very high78.9Confident108 Ų108101 Ų10158%0.57851%0.506SS*.Hα-helixtrans-74.9-32.7176.4-70.4-17.3000113.1L1062 L1064L1062-N1066 VanDerWaalsContact O-CB 3.32Å; L1062-N1066 WeakPolarHBondContact O-CB 3.41Å; L1062-N1066 PolarHBondContact O-N 3.22Å; L1062-N1066 PolarHBondContact O-ND2 3.09Å; L1064-N1066 VanDerWaalsContact C-N 3.27Å; L1064-N1066 PolarHBondContact O-N 2.94Å
1067K91.9Very high76.5Confident169 Ų169103.5 Ų103.574%0.73552%0.519SS*.Hα-helixtrans-71.4-36.2174.2-78.1173.1177.9-170.30112.8K1063 L1064K1063-K1067 WeakPolarHBondContact O-CB 3.37Å; K1063-K1067 WeakPolarHBondContact O-CG 3.2Å; K1063-K1067 PolarHBondContact O-N 2.96Å; K1063-K1067 VanDerWaalsContact O-N 3.1Å; L1064-K1067 PolarHBondContact O-N 3.3Å; L1064-K1067 VanDerWaalsContact O-N 3.11Å
1068N88.7Confident73.8Confident48 Ų48106.6 Ų106.626%0.25753%0.531SS..Hα-helixtrans-98.7-3.7-176.7-70.492.2000113.3L965 Q966 A969 L1064L965-N1068 HydrophobicContact CD2-CB 4.39Å; L965-N1068 WeakPolarHBondContact CD2-OD1 3.4Å; L965-N1068 HydrophobicContact CG-CB 3.95Å; Q966-N1068 PolarHBondContact NE2-O 3.04Å; Q966-N1068 PolarHBondContact OE1-O 3.09Å; A969-N1068 VanDerWaalsContact CB-C 3.43Å; A969-N1068 HydrophobicContact CB-CB 3.9Å; A969-N1068 WeakPolarHBondContact CB-O 3.36Å; L1064-N1068 WeakPolarHBondContact O-CB 3.46Å; L1064-N1068 PolarHBondContact O-N 2.83Å; L1064-N1068 PolarHBondContact O-OD1 3.32Å
1069G83.6Confident71.6Confident19 Ų19115.2 Ų115.220%0.19656%0.562CS.*SBendtrans-72.8139.5173.300000110.9L1065 V1071L1065-G1069 WeakPolarHBondContact O-CA 3.18Å; L1065-G1069 PolarHBondContact O-N 3.1Å; G1069-V1071 PolarHBondContact O-N 3.21Å; G1069-V1071 VanDerWaalsContact O-N 3.11Å
1070T69.9Low69.3Low76 Ų76120.7 Ų120.747%0.46658%0.582SS.*  trans-59.6119.1171.543.40000110.3N970 K1072N970-T1070 WeakPolarHBondContact OD1-CB 2.96Å; N970-T1070 WeakPolarHBondContact OD1-CG2 3.3Å; N970-T1070 PolarHBondContact OD1-N 3.08Å; N970-T1070 PolarHBondContact OD1-OG1 3.42Å; T1070-K1072 PolarHBondContact O-N 3.01Å
1071V57.7Low66.7Low131 Ų131119.9 Ų119.979%0.79459%0.585SS**  trans-68.584.9172.2-176.20000108.4G1069 K1073G1069-V1071 PolarHBondContact O-N 3.21Å; G1069-V1071 VanDerWaalsContact O-N 3.11Å; V1071-K1073 PolarHBondContact O-N 2.74Å
1072K57.3Low64.3Low171 Ų171127.7 Ų127.774%0.74362%0.615SS**  trans-57.8113.6174.4-70.6-170.1176.7-174.10107.9T1070 V1074T1070-K1072 PolarHBondContact O-N 3.01Å; K1072-V1074 VanDerWaalsContact C-N 3.35Å; K1072-V1074 WeakPolarHBondContact O-CG2 3.26Å; K1072-V1074 PolarHBondContact O-N 2.93Å
1073K46.6Very low61.7Low172 Ų172135.6 Ų135.675%0.74867%0.665SS**  trans-67.886.4-170.4-67-172.5178.7-176.10111.8V1071 S1075 K1076V1071-K1073 PolarHBondContact O-N 2.74Å; K1073-S1075 PolarHBondContact O-N 3.39Å; K1073-S1075 VanDerWaalsContact O-N 3.09Å; K1073-K1076 PolarHBondContact O-N 3.2Å
1074V45.9Very low60.1Low124 Ų124135.5 Ų135.575%0.75267%0.668SS**G310 helixtrans-58.8-19.6174.6-165.10000111.8K1072 K1076 L1077K1072-V1074 VanDerWaalsContact C-N 3.35Å; K1072-V1074 WeakPolarHBondContact O-CG2 3.26Å; K1072-V1074 PolarHBondContact O-N 2.93Å; V1074-K1076 PolarHBondContact O-N 2.99Å; V1074-L1077 PolarHBondContact O-N 2.61Å
1075S40.7Very low58.4Low90 Ų90138.4 Ų138.463%0.62968%0.681SS**G310 helixtrans-57.6-14.217661.60000115.4K1073 L1077K1073-S1075 PolarHBondContact O-N 3.39Å; K1073-S1075 VanDerWaalsContact O-N 3.09Å; S1075-L1077 PolarHBondContact O-N 2.98Å
1076K42.5Very low56.5Low193 Ų193145.4 Ų145.484%0.83972%0.716SS**G310 helixtrans-71.4-10.1170.6-81.6-160.4172.2-1710114.8K1073 V1074K1073-K1076 PolarHBondContact O-N 3.2Å; V1074-K1076 PolarHBondContact O-N 2.99Å
1077L45.1Very low54.5Low163 Ų163147.6 Ų147.685%0.85372%0.724SS**G310 helixtrans-101.97.4177-149.273.1000114.7V1074 S1075V1074-L1077 PolarHBondContact O-N 2.61Å; S1075-L1077 PolarHBondContact O-N 2.98Å
1078K39.3Very low52.1Low151 Ų151146.3 Ų146.366%0.65772%0.723SS**SBendtrans-104.613.7177.8-119.5-59.5177.9-164.80115.1E1081K1078-E1081 IonicContact NZ-OE2 2.74Å; K1078-E1081 PolarHBondContact NZ-OE2 3.38Å
1079R47.6Very low49.7Very low235 Ų235152.9 Ų152.989%0.88775%0.754SS**SBendtrans-121.621.4-173.9-146.3-179.5-166.4141.53.8115
1080K46.2Very low47.3Very low207 Ų207162.4 Ų162.490%0.979%0.794SS**SBendtrans-135.740.5172.5-150.4-178.5-177.2-175.10112.4
1081E40.7Very low45.5Very low141 Ų141169.1 Ų169.166%0.65982%0.819SS**SBendtrans-140.647.9177.1-168.6-162.9-173.500108K1078K1078-E1081 IonicContact NZ-OE2 2.74Å; K1078-E1081 PolarHBondContact NZ-OE2 3.38Å
1082K42.7Very low44.5Very low207 Ų207172.3 Ų172.390%0.982%0.821SS**  trans-174.762.8173.4-112.2-177.7-178.4-170.20110
1083V39.8Very low43.4Very low213 Ų213172.4 Ų172.4100%1.29183%0.829SS**  trans-141.80156.1-177.20000104.8

Retrieved 1,083 of 1,083 residues in 148.5 ms (Link to these results)