A0A5K4FC61_SCHMA Loading...

GCM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 934 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low30.9Very low195 Ų195140.5 Ų140.596%0.96176%0.761SS**  0125.40-61.3-178.395.100108.3
2L29.4Very low30.9Very low148 Ų148146.3 Ų146.378%0.77577%0.774SS**  cis-137.5156.5-13.2-88.3169000109.6
3D27.8Very low30.8Very low112 Ų112146.7 Ų146.760%0.59977%0.768SS**  trans-43165.3177.3-53.5-81.2000116.3N5D3-N5 PolarHBondContact OD1-ND2 3.18Å
4S33.9Very low30.7Very low110 Ų110148.3 Ų148.377%0.76978%0.777SS**  cis-143.7135.527.1-55.10000112.3
5N29.4Very low30.5Very low111 Ų111147.4 Ų147.459%0.59477%0.773SS**  66.5115.169.5-101.6-53000115.3D3D3-N5 PolarHBondContact OD1-ND2 3.18Å
6K30.6Very low30.4Very low168 Ų168146.9 Ų146.973%0.7377%0.769SS**  trans58.4115.4148.3-60.4170.2-172.7177.20119.8
7F32.9Very low30.2Very low219 Ų219144.5 Ų144.596%0.96177%0.768SS**  -138.9141.2105.9-111.5-80.2000109.9
8S28.4Very low30.1Very low103 Ų103144.2 Ų144.272%0.7276%0.761SS**  trans-143.1135.4-168.457.20000113
9S32.5Very low30Very low108 Ų108142.9 Ų142.976%0.75576%0.76SS**  trans-147.29716242.10000108.7
10S32Very low30Very low101 Ų101146.5 Ų146.571%0.70676%0.763SS**  60.679.599.470.40000112
11E30.2Very low29.9Very low171 Ų171145.9 Ų145.980%0.79976%0.76SS**  69.6120.690.4-74.6-161.1127.600115.8
12K31.4Very low29.6Very low210 Ų210148.9 Ų148.991%0.91376%0.761SS**  -160.2109.4122-109.8163-173.8172.90110.1
13Q29.7Very low29.6Very low151 Ų151145.5 Ų145.571%0.70676%0.755SS**  trans-71.7149.3168.5-62.3-176.41000110
14L28.7Very low29.6Very low169 Ų169146.8 Ų146.889%0.88576%0.761SS**  trans-131.797.8154.1-91.9172.8000108.3I16L14-I16 PolarHBondContact O-N 3.44Å
15N28.2Very low29.3Very low135 Ų135151.7 Ų151.772%0.72276%0.764SS**  trans-68.2122.9165.8-86.1-33.1000109.1
16I29Very low29.1Very low139 Ų139152.2 Ų152.271%0.71377%0.767SS**  trans-121.997.3152.2-68.2-176.7000106.9L14 E18L14-I16 PolarHBondContact O-N 3.44Å; I16-E18 HydrophobicContact CG2-CG 3.97Å; I16-E18 PolarHBondContact O-N 3.28Å
17S26.1Very low29Very low107 Ų107151 Ų15175%0.74877%0.767SS**  trans-7984.6168.5520000109.6T19S17-T19 PolarHBondContact O-N 3.28Å
18E29.2Very low28.9Very low138 Ų138144.5 Ų144.565%0.64575%0.749SS**  trans-88.291.5166-89.8-170.4-15500110.4I16 W20I16-E18 HydrophobicContact CG2-CG 3.97Å; I16-E18 PolarHBondContact O-N 3.28Å; E18-W20 PolarHBondContact O-N 2.98Å; E18-W20 PolarHBondContact OE2-NE1 3.18Å
19T28Very low28.8Very low120 Ų120147.6 Ų147.674%0.73676%0.757SS**  trans-6788.1167.9470000110.7S17 N21S17-T19 PolarHBondContact O-N 3.28Å; T19-N21 PolarHBondContact O-N 3.04Å; T19-N21 VanDerWaalsContact O-N 3.11Å
20W29.4Very low28.7Very low215 Ų215148.8 Ų148.881%0.81475%0.754SS**  trans-78.892.2169.7-81.984.3000110.6E18 W22E18-W20 PolarHBondContact O-N 2.98Å; E18-W20 PolarHBondContact OE2-NE1 3.18Å; W20-W22 PolarHBondContact O-N 2.9Å
21N27.5Very low28.5Very low134 Ų134151.5 Ų151.572%0.71776%0.761SS**  trans-50.5125.3169.4-71.6-29.1000110.7T19 A23T19-N21 PolarHBondContact O-N 3.04Å; T19-N21 VanDerWaalsContact O-N 3.11Å; N21-A23 PolarHBondContact O-N 3.46Å
22W27.6Very low28.6Very low258 Ų258148.4 Ų148.498%0.97775%0.754SS**  trans-73.373152.1-79.5-32.9000108.5W20 N24W20-W22 PolarHBondContact O-N 2.9Å; W22-N24 PolarHBondContact O-N 2.99Å
23A30.1Very low28.7Very low77 Ų77145.7 Ų145.764%0.63675%0.75SS**  trans-63.8128.2164.100000108.3N21 Y25N21-A23 PolarHBondContact O-N 3.46Å; A23-Y25 PolarHBondContact O-N 2.65Å
24N26.5Very low28.9Very low139 Ų139146.5 Ų146.574%0.74375%0.753SS**  trans-58.6128.9179.2-69.9-23.4000110.4W22W22-N24 PolarHBondContact O-N 2.99Å
25Y27.4Very low29.1Very low212 Ų212146.9 Ų146.983%0.83176%0.756SS**  trans-113.271.7152.9-97.3-74.1000108.3A23A23-Y25 PolarHBondContact O-N 2.65Å
26D25.4Very low29.3Very low123 Ų123143.4 Ų143.466%0.65875%0.752SS**  trans-53.4146.4134.3-67.3-64.4000108.6
27I29Very low29.5Very low141 Ų141145.3 Ų145.372%0.72376%0.764SS**  trans-176.1130.8136.6-99.1155.3000109.5
28S30.3Very low29.8Very low83 Ų83144 Ų14458%0.5877%0.766SS**  trans47.5103.7163.665.20000118.7N30S28-N30 PolarHBondContact O-N 2.97Å
29L27.6Very low29.9Very low169 Ų169144.5 Ų144.589%0.88578%0.779SS**  -41.5119123.7-78.4147.4000109.7N31L29-N31 PolarHBondContact O-N 3Å; L29-N31 VanDerWaalsContact O-N 3.15Å
30N29.3Very low30.1Very low132 Ų132144.5 Ų144.571%0.70678%0.783SS**  trans-81.488.6167.7-97.610.1000109.4S28 T32S28-N30 PolarHBondContact O-N 2.97Å; N30-T32 PolarHBondContact O-N 3.18Å
31N28.7Very low30Very low159 Ų159139.2 Ų139.285%0.8578%0.78SS**  trans-71.9115.9155.8-94.6-9.5000108.3L29L29-N31 PolarHBondContact O-N 3Å; L29-N31 VanDerWaalsContact O-N 3.15Å
32T32.3Very low30.1Very low105 Ų105140.1 Ų140.164%0.64479%0.79SS**  trans-13089.8172.853.10000111N30N30-T32 PolarHBondContact O-N 3.18Å
33N31.6Very low30.1Very low154 Ų154135.2 Ų135.282%0.82478%0.782SS**  trans-136.1107.9149-87.6-33.2000105.5
34H33.9Very low30.1Very low168 Ų168137.8 Ų137.878%0.77879%0.79SS**  70.987.178-81.9-70.7000113.5
35N33.7Very low30.2Very low177 Ų177136.1 Ų136.195%0.94779%0.787SS**  trans-174.6135.4136.4-88.7-26.9000107.1
36G32Very low30Very low61 Ų61134.3 Ų134.363%0.62979%0.786SS**  cis-176.4174.6-6.500000110.2
37N33.2Very low30.1Very low180 Ų180138.5 Ų138.596%0.96379%0.793SS**  trans67.9123.6174.9-52.7-25.2000117.1
38G33Very low29.9Very low78 Ų78139.1 Ų139.180%0.80480%0.797SS**  trans165.851.1-179.700000115S40G38-S40 PolarHBondContact O-N 2.83Å
39V31.2Very low29.9Very low150 Ų150139 Ų13991%0.90980%0.797SS**  trans-50.4123.8-169.3-175.80000115.4
40S31.9Very low29.8Very low119 Ų119138.7 Ų138.783%0.83280%0.796SS**  trans-168.8156.2134-163.70000111.3G38G38-S40 PolarHBondContact O-N 2.83Å
41S27.7Very low30Very low105 Ų105139.8 Ų139.873%0.73480%0.8SS**  trans-117.3144.5-167.856.20000114.4
42T30.6Very low30Very low152 Ų152138 Ų13893%0.93380%0.797SS**  trans-159158150-11.80000110.4
43L27.6Very low30Very low155 Ų155137.3 Ų137.381%0.81280%0.802SS**  trans-112.9170.9-158.6-74.7151.4000114.4
44T30.1Very low29.8Very low132 Ų132140.4 Ų140.481%0.8180%0.804SS**  trans79.1153.5161.776.70000118.3
45P26.9Very low29.7Very low104 Ų104139.3 Ų139.368%0.67580%0.802SS**  cis-131.7160.2-42.835.7-22000113.4
46Q24.1Very low29.3Very low173 Ų173138 Ų13881%0.80879%0.794SS**  trans-85.6134.7168.2-176.7177.6-0.100109.8
47W27.2Very low29.3Very low211 Ų211142 Ų14280%0.79980%0.8SS**  trans-123.5108170.6-9854.5000110.1
48N24.1Very low29Very low154 Ų154141 Ų14182%0.82479%0.79SS**  trans-89.5126.3153.6-91.7-2.9000107.1
49S30.5Very low28.9Very low82 Ų82144.1 Ų144.157%0.57379%0.794SS**  trans-153.8101.3169.358.80000111.2
50N26.9Very low28.7Very low162 Ų162142.3 Ų142.387%0.86678%0.783SS**  trans-64.9133.1149-69-22.6000107.5
51I32.1Very low28.6Very low154 Ų154143.2 Ų143.279%0.7978%0.778SS**  trans-179.6134.1152.1-96.8148.6000107.3
52P29.7Very low28.8Very low122 Ų122144.3 Ų144.379%0.79278%0.776SS**  trans-81.4138.4172.132.9-32.6000110.9
53A32Very low28.8Very low90 Ų90143.1 Ų143.174%0.74476%0.764SS**  trans-105.2102.917700000111.3
54Y26.8Very low29Very low220 Ų220141 Ų14186%0.86376%0.757SS**  trans-75.7132.4150.8-99.4-97.3000107.9
55I32.1Very low28.8Very low145 Ų145139.8 Ų139.874%0.74475%0.754SS**  trans-131.9104.3161.7-60.1-179.1000107.5D57I55-D57 HydrophobicContact CG2-CB 4.46Å
56I26Very low29Very low149 Ų149144 Ų14476%0.76477%0.767SS**  trans-91.2138.1146.2-61.7168.9000104.3
57D30.7Very low29.1Very low144 Ų144142 Ų14277%0.7776%0.762SS**  trans-148.3150.1155.4-143.8-17.5000111.7I55I55-D57 HydrophobicContact CG2-CB 4.46Å
58Q26.8Very low29.2Very low159 Ų159138.8 Ų138.874%0.74376%0.759SS**  trans-112.1132.7177.1-68178.7-18.900108.9
59T32.1Very low29.5Very low144 Ų144139 Ų13988%0.88376%0.759SS**  trans-133.1140.5159.543.50000109.5
60T26.9Very low29.3Very low112 Ų112144.8 Ų144.869%0.68777%0.769SS**  trans-131.9177.3-164.251.50000111.1
61L30.7Very low29.6Very low138 Ų138143.1 Ų143.172%0.72377%0.77SS**  trans79.7116161.8-61.2153.8000118.5
62N30Very low29.4Very low128 Ų128140.7 Ų140.768%0.68476%0.763SS**  trans76.9149.6131.3-60.81.7000118.7
63N31.9Very low29.5Very low127 Ų127141.4 Ų141.468%0.67977%0.765SS**  cis-153.8158.15.8-129.3-3.1000114.5
64T31.8Very low29.4Very low110 Ų110144.3 Ų144.368%0.67577%0.767SS**  trans45.7101.5150.256.90000121.9
65S26.1Very low29.6Very low108 Ų108139.3 Ų139.376%0.75577%0.765SS**  20.7130.5123.3600000122
66M30.3Very low29.5Very low192 Ų192138 Ų13895%0.94676%0.764SS**  trans-156.3141131-112.3-57.1-129.100113.2
67N27.1Very low29.7Very low132 Ų132137.6 Ų137.671%0.70676%0.761SS**  trans-95.4166.6-154.7-139.2-11.5000114.3
68I29Very low29.7Very low143 Ų143136.8 Ų136.873%0.73376%0.757SS**  trans72.7135.8152.7-61.8156.8000114.5
69I30.9Very low29.9Very low159 Ų159135.1 Ų135.182%0.81575%0.753SS**  cis-143.9155.848.7-65.1170.9000113
70Y26.2Very low29.7Very low202 Ų202134.6 Ų134.679%0.79275%0.745SS**  trans-78.4163.3176.4-86.1-105.5000116.6T72Y70-T72 HydrophobicContact CD1-CG2 3.99Å
71S31.6Very low29.9Very low127 Ų127135.9 Ų135.989%0.88875%0.747SS**  trans-155.4133.8145.2-79.50000111.2
72T29.3Very low30Very low104 Ų104136.3 Ų136.364%0.63875%0.749SS**  trans-136.1135.2-167.150.80000114.2Y70Y70-T72 HydrophobicContact CD1-CG2 3.99Å
73T32.2Very low29.8Very low136 Ų136137.3 Ų137.383%0.83475%0.754SS**  trans-158102.8151.244.10000108.1
74L28.1Very low29.6Very low151 Ų151141.2 Ų141.279%0.79176%0.761SS**  50.7107.983.8-91.781.3000115.8
75S31.6Very low29.4Very low115 Ų115144.1 Ų144.180%0.80476%0.764SS**  167.5158.710847.60000112.9
76T29.4Very low29.4Very low118 Ų118145 Ų14572%0.72477%0.767SS**  cis-159.6172.5-41.9-56.90000106.5
77I31.7Very low29.3Very low140 Ų140140.5 Ų140.572%0.71876%0.761SS**  trans88.398.2160.7-50.4-179.1000117
78N31.3Very low29.2Very low128 Ų128145.6 Ų145.668%0.68477%0.771SS**  41.4146.2118.5-54.24.8000121.2
79N29Very low29.2Very low123 Ų123144.1 Ų144.166%0.65877%0.774SS**  cis-170.5167-14.2-107.6-10.6000109.8
80N29.5Very low29Very low133 Ų133142.7 Ų142.771%0.71177%0.773SS**  trans72.7145.6146.4-734.2000122.2
81I31Very low29.2Very low140 Ų140141.4 Ų141.472%0.71877%0.771SS**  trans86.998.4149.4-71.3156.2000118.9
82N31.3Very low28.9Very low146 Ų146142.6 Ų142.678%0.78177%0.767SS**  trans78.8126.4136.3-63.72.1000122.3
83L25.8Very low28.9Very low150 Ų150146.5 Ų146.579%0.78577%0.771SS**  trans-55.8152.7157.7-56.169.9000110.6
84Y28.5Very low28.7Very low209 Ų209147.4 Ų147.482%0.8277%0.766SS**  -167.9174.4105.8-120-106.1000112.8
85K27.5Very low28.8Very low171 Ų171146.9 Ų146.974%0.74377%0.769SS**  trans-69.4154.2-166.5-66.8168.6-179.5172.10114.4A87K85-A87 PolarHBondContact O-N 3.04Å
86P26.3Very low28.5Very low127 Ų127151 Ų15183%0.82577%0.768SS**  trans-70.3126.9177.529.1-35.2000112.3
87A28.9Very low28.5Very low97 Ų97154.4 Ų154.480%0.80278%0.776SS**  trans-101.5110.6177.100000111.8K85K85-A87 PolarHBondContact O-N 3.04Å
88Y25.1Very low28.2Very low238 Ų238150.5 Ų150.593%0.93377%0.77SS**  trans-72128.6157.2-82.9-92.8000108.7
89S28.9Very low28.2Very low113 Ų113152.7 Ų152.779%0.7978%0.782SS**  trans-144.1136.2170.9-161.80000111.4
90T25.9Very low28.1Very low128 Ų128154.1 Ų154.179%0.78579%0.788SS**  trans-96153.4177.846.40000110.8
91K30Very low28.3Very low176 Ų176157.3 Ų157.377%0.76580%0.798SS**  trans-160.8119.1152.2-113.3152.8-171175.60112.6
92L26.3Very low28.2Very low151 Ų151158.1 Ų158.179%0.79180%0.799SS**  trans-66.9150.6161.2-76.4152.1000109.8
93Y28.4Very low27.9Very low187 Ų187157.6 Ų157.673%0.73380%0.796SS**  trans-142.1129.5147.2-93.4-86.3000108.8
94H28.4Very low28.1Very low155 Ų155160.7 Ų160.772%0.71880%0.803SS**  trans-86.7158.2166.5-98.3-102.9000109.8
95T29.9Very low28Very low140 Ų140156.1 Ų156.186%0.85980%0.801SS**  trans-141.1133.8149.2-22.40000108.1
96Y25.5Very low28.2Very low202 Ų202156 Ų15679%0.79281%0.807SS**  trans-79.4147175.2-95.4-117.3000110
97Q29.5Very low28.3Very low188 Ų188155.5 Ų155.588%0.87980%0.802SS**  -153.9131.4121.5-155.868-7.400107.3
98G26.2Very low28.4Very low58 Ų58158.4 Ų158.460%0.59880%0.804SS**  trans-99169.8-171.600000113.8
99N30.9Very low28.4Very low175 Ų175156.3 Ų156.394%0.93680%0.8SS**  trans-145.8138.6139.6-102.8-18.3000108.5
100I27Very low28.6Very low152 Ų152156.6 Ų156.678%0.77980%0.8SS**  trans-104.5124176.7-65.8169.5000107
101E32.4Very low28.7Very low200 Ų200157.5 Ų157.594%0.93580%0.8SS**  trans-143.7151.8159.3-128170.6-141.900110.3
102Q28.7Very low28.8Very low158 Ų158154.8 Ų154.874%0.73880%0.803SS**  trans-109.6153.4-153.2-63.5-179.3-7.200113.9
103N26.6Very low28.9Very low134 Ų134154.2 Ų154.272%0.71780%0.801SS**  trans41115.2143.3-64.2-32.7000119.2
104K29.9Very low29Very low215 Ų215154.7 Ų154.794%0.93581%0.809SS**  -153.2148.6122.5-108.1142.2-169171.40112.9
105C26.3Very low28.9Very low113 Ų113154.4 Ų154.476%0.76481%0.811SS**  trans-84.7165.7-170.5-48.30000112.1
106L32Very low28.8Very low169 Ų169156.2 Ų156.289%0.88581%0.81SS**  trans-149.6110136.9-114.2167.5000110.6
107T27Very low28.8Very low116 Ų116153 Ų15371%0.71281%0.805SS**  trans-85.6148.8172.246.20000110.6
108N32Very low28.7Very low159 Ų159149.6 Ų149.685%0.8580%0.8SS**  trans-158.9127.6147.9-100-30.8000111.6
109F25.4Very low28.9Very low193 Ų193152.5 Ų152.585%0.84681%0.811SS**  trans-141.5137174.4-108.9-77.9000107.4
110P32.9Very low28.6Very low120 Ų120150.9 Ų150.978%0.77980%0.801SS**  trans-101.3137.8153.933.5-26.8000110.4
111N26.5Very low28.7Very low147 Ų147152.5 Ų152.579%0.78681%0.805SS**  trans-81.1148.4177-75.6-29.1000112.1
112S33.7Very low28.5Very low118 Ų118146.5 Ų146.583%0.82579%0.785SS**  trans-143107.1154.2630000109.6
113N27.1Very low28.3Very low140 Ų140145.4 Ų145.475%0.74979%0.789SS**  trans-76.6126.6179-71.1-25.9000110.8
114H31.8Very low28.4Very low197 Ų197149.3 Ų149.391%0.91279%0.794SS**  trans-144.9121148.2-105.8-78.8000109
115I25.9Very low28.2Very low148 Ų148147.3 Ų147.376%0.75978%0.78SS**  trans-94.8132.1-179.1-63170.8000108.3L117I115-L117 HydrophobicContact CG2-CD1 4Å
116H28.2Very low28.3Very low179 Ų179149 Ų14983%0.82978%0.78SS**  trans-138.8125160.5-156.6-65.5000108.4
117L25.8Very low28Very low134 Ų134146.3 Ų146.370%0.70277%0.771SS**PPolyproline II helixtrans-79.7143.7179.2-70.482.5000110.2I115I115-L117 HydrophobicContact CG2-CD1 4Å
118P27.2Very low28Very low117 Ų117150.1 Ų150.176%0.7677%0.774SS**PPolyproline II helixtrans-85.1157.3142.834.9-29000110.2
119S28.8Very low27.8Very low119 Ų119148.5 Ų148.583%0.83277%0.765SS**PPolyproline II helixtrans-70.9148.3-173.649.40000114.3
120I25.7Very low27.9Very low141 Ų141144.9 Ų144.972%0.72376%0.755SS**PPolyproline II helixtrans-81.3133.1163.5-67.4168.8000108.3
121E29.1Very low27.5Very low185 Ų185144.9 Ų144.986%0.86475%0.748SS**  trans-145.1132.4147.1-166.554-91.200107.7
122S27.8Very low27.7Very low75 Ų75145.7 Ų145.752%0.52475%0.752SS.*  trans-157.2130.6-151.361.70000119.2
123V25.4Very low27.5Very low135 Ų135147 Ų14782%0.81875%0.749SS**  trans57.5114.8137.5-177.70000119.6
124R27.8Very low27.4Very low215 Ų215146.5 Ų146.581%0.81175%0.747SS**  trans-177149.1145.1-94.9144.7-167.3-132.56.5108.3
125R26.2Very low27.3Very low173 Ų173144.7 Ų144.765%0.65374%0.738SS**  cis-157.6166.7-24.2-153-168-63.3-130.58.6107.3
126I28.5Very low27.4Very low148 Ų148141.9 Ų141.976%0.75973%0.732SS**  trans-116.4166.6178.9-61.5172.2000109.8
127T26Very low27.3Very low113 Ų113142 Ų14269%0.69373%0.726SS**  trans91.3147.5172.170.70000116.4
128Y26.9Very low27.7Very low196 Ų196143.2 Ų143.277%0.76973%0.733SS**  cis-154.5156.93-123-51.1000111.8
129N26.1Very low27.6Very low126 Ų126143.8 Ų143.867%0.67473%0.73SS**  trans67.4156.7156.3-71.3-6000119
130N28.4Very low27.8Very low117 Ų117146.7 Ų146.763%0.62673%0.73SS**  cis-150.8156.45.7-128.81.1000114.2
131N25.6Very low27.9Very low119 Ų119144.9 Ų144.964%0.63673%0.73SS**  trans45.5111.1150.5-57.6-16000122.2
132N30.2Very low27.9Very low165 Ų165146.5 Ų146.588%0.88273%0.73SS**  -169.6150.895.8-100.2-28.4000113.1
133L28.4Very low28Very low145 Ų145148.8 Ų148.876%0.75975%0.746SS**  trans-98.5149.6175.6-66.280000110.6
134N26.6Very low28.1Very low130 Ų130148.2 Ų148.270%0.69574%0.743SS**  169.7131106.9-90.4-32.6000114
135H29.6Very low28.2Very low159 Ų159143.9 Ų143.974%0.73674%0.744SS**  trans58.9151150.2-73.3-77.5000119.9
136S27Very low28.3Very low89 Ų89143.5 Ų143.562%0.62275%0.75SS**  cis-151.8152.31.6-121.10000112.8
137Y26.9Very low28.4Very low180 Ų180147 Ų14771%0.70676%0.755SS**  trans17.2125.3157.1-69.5-88.9000121.4
138N32.9Very low28.7Very low160 Ų160148.7 Ų148.786%0.85676%0.76SS**  -159.6160.393.9-103.7-39.6000113.7
139N26.1Very low28.8Very low129 Ų129148 Ų14869%0.6976%0.763SS**  trans-87.8151-173.6-64.5-56000112.7
140E31.9Very low29Very low180 Ų180150.2 Ų150.284%0.84177%0.769SS**  -174116.7108.3-101.4179.1-161.700114.8
141S28.4Very low29.2Very low103 Ų103152.3 Ų152.372%0.7278%0.775SS**  trans20.1109.2153.160.40000121.5
142Y30.1Very low29.5Very low220 Ų220154 Ų15486%0.86378%0.777SS**  trans-112.6115.9135.3-96.6-96000108.8T144Y142-T144 PolarHBondContact O-N 3.49Å
143S28.9Very low29.6Very low122 Ų122151.6 Ų151.685%0.85377%0.77SS**  trans-83112.7-177.7-173.90000111.2
144T28.2Very low29.6Very low123 Ų123150.3 Ų150.376%0.75576%0.76SS**  trans-83.4123.7167.436.40000110.2Y142 H146Y142-T144 PolarHBondContact O-N 3.49Å; T144-H146 PolarHBondContact O-N 2.9Å
145C29.8Very low29.8Very low125 Ų125155 Ų15585%0.84577%0.769SS**  trans-80.397.2173.553.90000110.8
146H27.5Very low29.8Very low165 Ų165153.5 Ų153.576%0.76477%0.772SS**  trans-65.2149.4157.3-94.7-68.3000110.4T144T144-H146 PolarHBondContact O-N 2.9Å
147Y31.9Very low30.1Very low222 Ų222156.8 Ų156.887%0.87178%0.782SS**  trans-142.5148.3149.8-106.1-75.2000108.4
148D30.6Very low30.2Very low148 Ų148153 Ų15379%0.79178%0.779SS**  trans-81164-155.1-77-69.7000117.4
149H29.6Very low30Very low180 Ų180151.1 Ų151.183%0.83378%0.776SS**  trans-64.9152.4173.5-67.7-80.5000113.6
150Q29.7Very low30.3Very low173 Ų173151.2 Ų151.281%0.80878%0.775SS**  -154.7133.5120.5-109.4167.419.200113.1
151H32.9Very low30.1Very low161 Ų161148.6 Ų148.675%0.74577%0.771SS**  trans45.4103161.5-56.1-49.8000122.4
152K33Very low30.3Very low156 Ų156153.2 Ų153.268%0.67877%0.774SS**  47.9155.4111.3-87.4-161.7179.5-153.50121.1E154K152-E154 WeakPolarHBondContact CD-OE2 3.41Å; K152-E154 VanDerWaalsContact CE-CD 3.44Å; K152-E154 VanDerWaalsContact CE-OE1 3.27Å; K152-E154 WeakPolarHBondContact CE-OE1 3.46Å; K152-E154 WeakPolarHBondContact CE-OE2 3.49Å; K152-E154 IonicContact NZ-OE1 2.82Å; K152-E154 PolarHBondContact NZ-OE1 3.41Å; K152-E154 IonicContact NZ-OE2 2.62Å; K152-E154 PolarHBondContact NZ-OE2 3.02Å
153P32.5Very low30.4Very low114 Ų114147.8 Ų147.874%0.7477%0.766SS**  cis-116.6168.827.140.8-31.6000117
154E27.9Very low30.5Very low118 Ų118148.7 Ų148.755%0.55176%0.761SS**  trans-70.4151.7173.7-65.5103.7145.300114.2K152K152-E154 WeakPolarHBondContact CD-OE2 3.41Å; K152-E154 VanDerWaalsContact CE-CD 3.44Å; K152-E154 VanDerWaalsContact CE-OE1 3.27Å; K152-E154 WeakPolarHBondContact CE-OE1 3.46Å; K152-E154 WeakPolarHBondContact CE-OE2 3.49Å; K152-E154 IonicContact NZ-OE1 2.82Å; K152-E154 PolarHBondContact NZ-OE1 3.41Å; K152-E154 IonicContact NZ-OE2 2.62Å; K152-E154 PolarHBondContact NZ-OE2 3.02Å
155Y31.5Very low30.9Very low227 Ų227147.8 Ų147.889%0.8975%0.751SS**  trans-114.1109.9147.4-91.9-84.5000109.1
156T28.3Very low31.2Very low129 Ų129149.5 Ų149.579%0.79175%0.746SS**  trans-76.1131.4179.3-30.60000110.4
157L32.7Very low31.8Very low157 Ų157148.6 Ų148.682%0.82274%0.742SS**  trans-107.3143.7164.9-75.6171.2000109.6
158P29.4Very low31.8Very low101 Ų101146.3 Ų146.366%0.65673%0.733SS**  trans-77.2151-166.730.7-36.2000113.1
159P29.2Very low32.2Very low120 Ų120145 Ų14578%0.77972%0.723SS**  trans-70.4132.8171.730.3-33.7000110.6
160I32.2Very low32.7Very low131 Ų131140 Ų14067%0.67271%0.705SS**  trans-96.6103.9172-57.2178.8000108.6Y162I160-Y162 HydrophobicContact CG2-CD2 3.96Å; I160-Y162 HydrophobicContact CG2-CE2 3.45Å; I160-Y162 VanDerWaalsContact CG2-CE2 3.45Å
161T28.8Very low33.1Very low125 Ų125136.4 Ų136.477%0.76769%0.691SS**  trans-77.2131.8175-36.50000110.5
162Y32Very low33.4Very low201 Ų201135.2 Ų135.279%0.78869%0.69SS**  trans-125.8126.8167.4-78.6-71.9000109.8I160I160-Y162 HydrophobicContact CG2-CD2 3.96Å; I160-Y162 HydrophobicContact CG2-CE2 3.45Å; I160-Y162 VanDerWaalsContact CG2-CE2 3.45Å
163P32.3Very low33.6Very low105 Ų105136.4 Ų136.468%0.68269%0.69SS**  trans-87.5170.7-175.335.9-36.9000113.8
164N30.6Very low33.9Very low141 Ų141136.8 Ų136.875%0.75469%0.686SS**  trans60.4102165.4-62.717.3000117.5
165I35.3Very low34.1Very low104 Ų104138.5 Ų138.553%0.53370%0.698SS.*  trans-130.242.2161.5-41.1180000109.7
166E37.9Very low34.1Very low161 Ų161133.7 Ų133.775%0.75269%0.692SS**  trans-93.5-12.7178.2-67.2-177.9137.400113.1
167Q39.5Very low34.2Very low146 Ų146137.1 Ų137.168%0.68270%0.696SS**SBendtrans-79.7-26-179.2-149.568.742.300113.3
168Y32.1Very low34.1Very low174 Ų174135.6 Ų135.668%0.68269%0.694SS**Hα-helixtrans-85.4-20.1-166.4-144.3-101.2000114.3L172Y168-L172 HydrophobicContact CD1-CD1 4.24Å; Y168-L172 HydrophobicContact CE1-CD1 4.31Å
169E38.1Very low34.3Very low122 Ų122138 Ų13857%0.5770%0.701SS**Hα-helixtrans-85.1-14.2177.5-67.8-157.3-172.100113.9R173E169-R173 WeakPolarHBondContact O-CD 3.37Å; E169-R173 WeakPolarHBondContact O-CG 3.43Å; E169-R173 PolarHBondContact O-NE 2.92Å; E169-R173 IonicContact OE2-NH2 2.7Å; E169-R173 PolarHBondContact OE2-NH2 2.86Å
170T40.5Very low34.2Very low75 Ų75141.3 Ų141.346%0.4671%0.706SS.*Hα-helixtrans-80.3-44.1-179-53.30000111L172 R173 N174T170-L172 PolarHBondContact O-N 3.49Å; T170-R173 PolarHBondContact O-N 3.15Å; T170-N174 PolarHBondContact O-ND2 3.33Å
171D38Very low34.3Very low97 Ų97142.5 Ų142.552%0.51971%0.713SS.*Hα-helixtrans-70.3-33.3-175.4-62.1-21.8000112.3R173 N174D171-R173 PolarHBondContact O-N 3.09Å; D171-N174 PolarHBondContact O-N 3.2Å
172L39.2Very low34.4Very low136 Ų136142.4 Ų142.471%0.71271%0.708SS**THydrogen-bonded Turntrans-72.4-7.3176.8-77.8166.8000114.5Y168 T170Y168-L172 HydrophobicContact CD1-CD1 4.24Å; Y168-L172 HydrophobicContact CE1-CD1 4.31Å; T170-L172 PolarHBondContact O-N 3.49Å
173R36.9Very low34.2Very low180 Ų180140.1 Ų140.168%0.67970%0.704SS**THydrogen-bonded Turntrans-99.1-1178.4-65.6179-164.2-160.16.7113.9E169 T170 D171E169-R173 WeakPolarHBondContact O-CD 3.37Å; E169-R173 WeakPolarHBondContact O-CG 3.43Å; E169-R173 PolarHBondContact O-NE 2.92Å; E169-R173 IonicContact OE2-NH2 2.7Å; E169-R173 PolarHBondContact OE2-NH2 2.86Å; T170-R173 PolarHBondContact O-N 3.15Å; D171-R173 PolarHBondContact O-N 3.09Å
174N38.9Very low33.9Very low123 Ų123140.3 Ų140.366%0.65870%0.703SS**SBendtrans-106.4-0.5-173.3-70.6-36.3000115.3T170 D171T170-N174 PolarHBondContact O-ND2 3.33Å; D171-N174 PolarHBondContact O-N 3.2Å
175L33.6Very low33.6Very low153 Ų153139.3 Ų139.380%0.80170%0.703SS**SBendtrans-110.143.5-177.8-81.3102.5000115.3
176T30.2Very low33.2Very low127 Ų127141 Ų14178%0.77972%0.718SS**  trans-154.399.5159.645.80000111.7
177K30.1Very low32.7Very low200 Ų200141.1 Ų141.187%0.8772%0.718SS**  trans-174.2159.2159.9-106.5152.2-173.4173.70109.3
178T31.8Very low32.1Very low126 Ų126141.2 Ų141.277%0.77372%0.723SS**  trans66.1130.4-170.975.20000114.3
179N32.5Very low31.9Very low152 Ų152139 Ų13981%0.81372%0.723SS**  cis-142141.5-12.4-83.8-31.3000109.6
180E27.9Very low31.5Very low188 Ų188139.7 Ų139.788%0.87973%0.731SS**  trans-97.9139.6157.8-66-174137.100109.1
181L35.3Very low31.1Very low156 Ų156143 Ų14382%0.81775%0.746SS**  trans-162113.8144.8-137.574.5000113.3
182N30.1Very low30.8Very low124 Ų124145.6 Ų145.666%0.66376%0.759SS**  trans63.1125.1135.8-724000124.4
183H27.9Very low30.4Very low153 Ų153144.5 Ų144.571%0.70875%0.754SS**  88.296.4128.9-79-56.8000122.9
184T25.2Very low30.2Very low109 Ų109143.1 Ų143.167%0.66976%0.755SS**  62.2108.3124.851.50000122.1
185T25Very low29.7Very low120 Ų120144.1 Ų144.174%0.73676%0.759SS**  59.1109118.9-36.50000120.6
186T26.7Very low29.6Very low138 Ų138142.3 Ų142.385%0.84775%0.754SS**  178.9166.4116.9260000112.6
187H26.5Very low29.5Very low164 Ų164142.6 Ų142.676%0.75975%0.75SS**  trans-76.1147.5176.2-70.2-110.1000112.6
188N28Very low29.5Very low149 Ų149144 Ų14480%0.79775%0.752SS**  -179.9156.3104-95.4-46.9000115.6
189N28.2Very low29.5Very low126 Ų126145.8 Ų145.867%0.67476%0.756SS**  trans-64.9149.4179.2-44-33.2000113.8
190N30Very low29.5Very low138 Ų138143.9 Ų143.974%0.73875%0.752SS**  157.1148.3110-83.7-33.3000115.9
191N32Very low29.6Very low145 Ų145140.5 Ų140.578%0.77574%0.744SS**  trans82.9145148-66.9-2.5000123.6
192L30.9Very low29.2Very low150 Ų150139.7 Ų139.779%0.78574%0.739SS**  trans-60.1179.2174.6-78.868000113
193D30.3Very low29.3Very low114 Ų114142 Ų14261%0.6175%0.746SS**  cis-174.216943.9-151.41.4000116.2
194Q32.8Very low29.3Very low151 Ų151139.5 Ų139.571%0.70674%0.741SS**  trans67.4155.4156.2-74.81645400118.4
195I29.2Very low29.6Very low143 Ų143141 Ų14173%0.73375%0.745SS**  cis-169.7157.5-12.1-115.9174.9000106.7
196V30.2Very low29.8Very low116 Ų116140.9 Ų140.970%0.70374%0.744SS**  cis-161-178.5-11.673.50000109.3
197D29Very low29.9Very low132 Ų132140.2 Ų140.271%0.70674%0.74SS**  trans-73.1171.3-171.3-47.6-95.5000119
198Y30.9Very low30.2Very low231 Ų231140.6 Ų140.691%0.90675%0.746SS**  -169133.1118.9-99.8-66.8000113.7
199L31.9Very low30.3Very low162 Ų162138.8 Ų138.885%0.84874%0.741SS**  trans-151.1153.2170.6-97.5173.1000109.1
200P32.4Very low30.4Very low112 Ų112139.5 Ų139.573%0.72774%0.744SS**  -160.7160.7115.738.8-19.3000119.2
201V28.9Very low30.5Very low118 Ų118143.8 Ų143.872%0.71575%0.752SS**  trans54.3118.6138.3172.40000119.7
202I27.6Very low30.4Very low139 Ų139143.8 Ų143.871%0.71375%0.751SS**  80119.752.2-61.4165.5000115.4
203H31.8Very low30.3Very low173 Ų173142.7 Ų142.780%0.80175%0.75SS**  trans-170.8-176.7135.1-108.6-65.2000112.8
204T28.9Very low30Very low100 Ų100142.5 Ų142.561%0.61376%0.758SS**  trans-136.7168.6-146.255.10000117.3
205D29.7Very low29.8Very low139 Ų139139.6 Ų139.674%0.74375%0.754SS**  trans94.2137.2146.9-63.1-53.2000125.1
206T29.8Very low30Very low119 Ų119138.7 Ų138.773%0.7376%0.755SS**  trans75.9107.9149.344.60000124.5
207T28.1Very low30Very low124 Ų124139.3 Ų139.376%0.76176%0.762SS**  trans57.2126.1132.860.60000123.2
208I33.2Very low30.2Very low171 Ų171139.8 Ų139.888%0.87777%0.765SS**  -176.6170119.2-94.6160.9000110.5
209T31Very low30.4Very low112 Ų112134.4 Ų134.469%0.68776%0.758SS**  trans-109.4153.2-155.254.60000117.9
210N29.7Very low30.3Very low140 Ų140134.9 Ų134.975%0.74976%0.76SS**  trans68122150.6-60.8-23.3000120.3
211Y32.8Very low30.2Very low229 Ų229136.7 Ų136.790%0.89876%0.762SS**  -160.8179.9125.9-100-66.6000110.4
212L29.9Very low30.3Very low144 Ų144138.7 Ų138.775%0.75476%0.763SS**  trans-86.5142.2-147.9-91.577.2000119.4
213V27.5Very low30.2Very low128 Ų128138.3 Ų138.378%0.77676%0.762SS**  trans77.5140.3133.2171.10000122
214S25.4Very low30.1Very low109 Ų109135.8 Ų135.876%0.76276%0.755SS**  trans74140.7173.5-138.60000115.4
215S27.1Very low30.1Very low91 Ų91139.4 Ų139.464%0.63677%0.765SS**  cis-149.1164.84.3-31.90000110.9
216T33.2Very low30Very low123 Ų123139.2 Ų139.276%0.75576%0.762SS**  trans50.4120157.550.90000120.7
217P31.8Very low30Very low130 Ų130139.8 Ų139.884%0.84476%0.76SS**  trans-86.4119.3172.933.3-31.6000113.2
218N33.5Very low29.9Very low142 Ų142142 Ų14276%0.75976%0.763SS**  trans-75.1147.3170.4-77-24.9000112.2L220N218-L220 PolarHBondContact O-N 3.19Å
219P33.5Very low29.7Very low117 Ų117143.8 Ų143.876%0.7676%0.76SS**  trans-78105172.531.4-32.4000110.9I221P219-I221 PolarHBondContact O-N 2.96Å; P219-I221 VanDerWaalsContact O-N 3.09Å
220L30Very low29.7Very low173 Ų173145.3 Ų145.391%0.90676%0.764SS**  trans-70105172.4-78.7172.2000111N218 H222N218-L220 PolarHBondContact O-N 3.19Å; L220-H222 PolarHBondContact O-N 2.68Å
221I30.1Very low29.6Very low149 Ų149146 Ų14676%0.76477%0.767SS**  trans-72.4107.8166.9-61.7172.6000107.5P219 L223P219-I221 PolarHBondContact O-N 2.96Å; P219-I221 VanDerWaalsContact O-N 3.09Å; I221-L223 VanDerWaalsContact C-N 3.25Å; I221-L223 PolarHBondContact O-N 3.12Å
222H31.1Very low29.4Very low161 Ų161142 Ų14275%0.74576%0.759SS**  trans-7780172.4-176.5-82.7000110.1L220 N224L220-H222 PolarHBondContact O-N 2.68Å; H222-N224 PolarHBondContact CE1-ND2 3.27Å; H222-N224 PolarHBondContact O-N 3.03Å
223L26.2Very low29.3Very low131 Ų131140 Ų14069%0.68675%0.753SS**  trans-64.6118.9170.6-173.975000109.3I221I221-L223 VanDerWaalsContact C-N 3.25Å; I221-L223 PolarHBondContact O-N 3.12Å
224N28.9Very low29.4Very low120 Ų120139.6 Ų139.664%0.64275%0.754SS**  trans-162.7147.5166.9-110.9-50.9000110.8H222H222-N224 PolarHBondContact CE1-ND2 3.27Å; H222-N224 PolarHBondContact O-N 3.03Å
225Q29.4Very low29.7Very low176 Ų176141 Ų14182%0.82275%0.754SS**  trans6179.7179.3-68172.7-19.200114.9
226I27.9Very low29.8Very low135 Ų135145.4 Ų145.469%0.69276%0.764SS**  trans-85.695.7158.7-59.2172000107.4Q228I226-Q228 HydrophobicContact CG2-CG 4.38Å; I226-Q228 PolarHBondContact O-N 2.96Å
227D29Very low29.8Very low130 Ų130148 Ų14870%0.69577%0.773SS**  trans-79.2115.3163.9-73.8-28.2000108.7Y229D227-Y229 HydrophobicContact CB-CD2 4.34Å; D227-Y229 HydrophobicContact CB-CE2 4.09Å; D227-Y229 PolarHBondContact O-N 3.42Å
228Q26.6Very low29.7Very low172 Ų172151.6 Ų151.680%0.80478%0.775SS**  trans-74.695.9-174.7-69.8-178.8-21.600112I226I226-Q228 HydrophobicContact CG2-CG 4.38Å; I226-Q228 PolarHBondContact O-N 2.96Å
229Y29.8Very low29.4Very low208 Ų208147.9 Ų147.982%0.81677%0.77SS**  trans-98.3104.4164.6-75.2-86.1000110.2D227 L231D227-Y229 HydrophobicContact CB-CD2 4.34Å; D227-Y229 HydrophobicContact CB-CE2 4.09Å; D227-Y229 PolarHBondContact O-N 3.42Å; Y229-L231 PolarHBondContact O-N 3.05Å
230N30.8Very low29.4Very low144 Ų144150.2 Ų150.277%0.7778%0.776SS**  trans-61.4118.4-179.1-78.7-28.3000111.6I232N230-I232 PolarHBondContact O-N 3.2Å; N230-I232 VanDerWaalsContact O-N 3.1Å
231L26.7Very low29.4Very low155 Ų155149.2 Ų149.281%0.81277%0.771SS**  trans-80.787.8175.2-157.181.6000109.5Y229 T233Y229-L231 PolarHBondContact O-N 3.05Å; L231-T233 HydrophobicContact CD2-CG2 4.42Å; L231-T233 PolarHBondContact O-N 2.91Å
232I28.1Very low29.6Very low143 Ų143149.7 Ų149.773%0.73378%0.776SS**  trans-73.790.8177.6-56.5-179.5000109.5N230 C234N230-I232 PolarHBondContact O-N 3.2Å; N230-I232 VanDerWaalsContact O-N 3.1Å; I232-C234 PolarHBondContact O-N 2.97Å
233T29.3Very low29.6Very low102 Ų102146.2 Ų146.263%0.62677%0.77SS**  trans-77.9101.3164.648.70000109.3L231 N235L231-T233 HydrophobicContact CD2-CG2 4.42Å; L231-T233 PolarHBondContact O-N 2.91Å; T233-N235 VanDerWaalsContact C-N 3.34Å; T233-N235 PolarHBondContact O-N 2.8Å
234C28.2Very low30Very low120 Ų120148.7 Ų148.781%0.81178%0.775SS**  trans-71.286.7173.7-65.50000110.8I232I232-C234 PolarHBondContact O-N 2.97Å
235N31.7Very low29.9Very low140 Ų140150.9 Ų150.975%0.74979%0.787SS**  trans-77.8140.7168-75.62.5000110.9T233T233-N235 VanDerWaalsContact C-N 3.34Å; T233-N235 PolarHBondContact O-N 2.8Å
236E29.5Very low30.2Very low183 Ų183149.2 Ų149.286%0.85578%0.782SS**  trans-24.3122.1174.8-54.6179.2127.200117
237L33.1Very low30.4Very low178 Ų178149.7 Ų149.793%0.93279%0.785SS**  trans-119.3114.1154-73.1176.5000108.8
238K29.9Very low30.8Very low205 Ų205151.9 Ų151.989%0.89179%0.79SS**  trans-115.9145.4168.5-88.4-175.3175.1175.70109.1
239G28.4Very low31.1Very low64 Ų64150.7 Ų150.766%0.6679%0.79SS**  trans95.788.4168.200000114.2
240N33.1Very low31.8Very low166 Ų166148.4 Ų148.489%0.88879%0.791SS**  -172.3119.695.5-88.9-15.7000110.3
241D30.3Very low32.1Very low151 Ų151150 Ų15081%0.80779%0.792SS**  trans-72.6132.4159.8-59.3-65.2000108.6
242N33.9Very low32.5Very low159 Ų159147.6 Ų147.685%0.8578%0.779SS**  -174.9149.5122.6-95.4-51000111.6
243S30.3Very low32.8Very low89 Ų89146.9 Ų146.962%0.62278%0.776SS**  trans-48.6144.1175.554.20000114.7
244F34.3Very low33.3Very low183 Ų183148.9 Ų148.980%0.80378%0.781SS**  -159.4124.1115.8-100.2-65.8000111.5
245N28.5Very low33.8Very low166 Ų166149.9 Ų149.989%0.88878%0.778SS**  trans-78.5117.4163.8-74.9-31.6000108.3
246I35.4Very low34Very low141 Ų141152.9 Ų152.972%0.72379%0.788SS**  trans-127.1111.8161.9-61.8-177.3000107.7
247I31Very low34.7Very low145 Ų145148.7 Ų148.774%0.74478%0.779SS**  trans-74.9130.7168.2-62.1163.1000107.1
248H38.2Very low34.9Very low176 Ų176148.3 Ų148.382%0.81577%0.769SS**  trans-154.3116.4146.3-104.7-71.2000109.5
249D33Very low35.5Very low147 Ų147144.4 Ų144.479%0.78676%0.758SS**  trans-63.7128.6160.6-72.4-75.2000109
250D44.3Very low35.9Very low160 Ų160147.9 Ų147.986%0.85676%0.762SS**  trans-151.5155.1143.1-134-31.5000112.6
251K37.4Very low36.1Very low178 Ų178144 Ų14477%0.77475%0.747SS**  trans-96.5136.9-172-63.2158.5-175.1162.10109.9
252N34.8Very low36.4Very low103 Ų103139.4 Ų139.455%0.55173%0.727SS**  147.1118.4126.6-81.6-68.4000116.9K863N252-K863 PolarHBondContact OD1-NZ 3.13Å
253I34.4Very low36.7Very low128 Ų128135.8 Ų135.866%0.65671%0.707SS**  trans70.9159.8146.3-42.4153.8000116.6
254I39.1Very low37.1Very low144 Ų144135.3 Ų135.374%0.73870%0.701SS**  trans76.9122171-46.4-177000113.4
255D39.3Very low37.5Very low141 Ų141131.3 Ų131.375%0.75469%0.692SS**  cis-149.9149.5-2-117.3-10.2000112.5S257D255-S257 PolarHBondContact O-N 2.76Å
256E36.4Very low38.2Very low204 Ų204129.5 Ų129.595%0.95368%0.678SS**  trans-82.291.7177.7-65.3179119.700111.9
257S43.4Very low39Very low94 Ų94126.7 Ų126.766%0.65766%0.662SS**  trans-150.5-5.6-177.858.20000118.8D255D255-S257 PolarHBondContact O-N 2.76Å
258K38.1Very low40.5Very low170 Ų170124.7 Ų124.774%0.73965%0.649SS**SBendtrans-103.2-16.1-168.3-80.6-178175.1174.40117.7S261K258-S261 PolarHBondContact O-OG 3.39Å
259D41.7Very low42.5Very low124 Ų124123.2 Ų123.266%0.66365%0.646SS**THydrogen-bonded Turntrans-81.3-24.5-167.7-61.5-47.4000114.9S261 S262 L263D259-S261 VanDerWaalsContact C-N 3.3Å; D259-S261 PolarHBondContact O-N 2.71Å; D259-S262 WeakPolarHBondContact O-CB 3.35Å; D259-S262 PolarHBondContact O-N 2.7Å; D259-S262 VanDerWaalsContact O-N 3.15Å; D259-L263 PolarHBondContact O-N 3.17Å
260N37.9Very low45.3Very low137 Ų137116.7 Ų116.773%0.73361%0.611SS**Hα-helixtrans-68.4-23.3-176.6-73-30.8000114.1
261S36.4Very low47.6Very low83 Ų83110.6 Ų110.658%0.5858%0.578SS**Hα-helixtrans-88.1-17.8173.955.70000113.5K258 D259 T264K258-S261 PolarHBondContact O-OG 3.39Å; D259-S261 VanDerWaalsContact C-N 3.3Å; D259-S261 PolarHBondContact O-N 2.71Å; S261-T264 PolarHBondContact O-OG1 2.8Å
262S36.1Very low50.3Low56 Ų56102.1 Ų102.139%0.39254%0.541SS..Hα-helixtrans-76.8-41.1174.4-174.60000111.5D259 T264 V265 Q266D259-S262 WeakPolarHBondContact O-CB 3.35Å; D259-S262 PolarHBondContact O-N 2.7Å; D259-S262 VanDerWaalsContact O-N 3.15Å; S262-T264 VanDerWaalsContact C-N 3.31Å; S262-T264 PolarHBondContact O-N 3.5Å; S262-V265 PolarHBondContact O-N 2.87Å; S262-Q266 PolarHBondContact O-N 3Å
263L41.3Very low53Low82 Ų82102.9 Ų102.943%0.42954%0.539SS..Hα-helixtrans-61.1-33.1-177.8-74.7167.9000113.9D259 Q267D259-L263 PolarHBondContact O-N 3.17Å; L263-Q267 WeakPolarHBondContact O-CG 3.45Å
264T38.5Very low55.8Low79 Ų7999.7 Ų99.749%0.48552%0.524SS..Hα-helixtrans-75.1-34.9177.750.20000112.5S261 S262 Q267S261-T264 PolarHBondContact O-OG1 2.8Å; S262-T264 VanDerWaalsContact C-N 3.31Å; S262-T264 PolarHBondContact O-N 3.5Å; T264-Q267 PolarHBondContact O-N 3.38Å
265V42.9Very low58.3Low100 Ų100101.1 Ų101.161%0.60653%0.532SS*.Hα-helixtrans-66.8-39.2176.1177.90000111.1S262 Q267S262-V265 PolarHBondContact O-N 2.87Å; V265-Q267 VanDerWaalsContact C-N 3.3Å; V265-Q267 PolarHBondContact O-N 2.88Å
266Q42.2Very low60.7Low127 Ų127103.5 Ų103.559%0.59354%0.536SS*.Hα-helixtrans-66-28.4177-68.4-171.41.800113.6S262 H268 L269S262-Q266 PolarHBondContact O-N 3Å; Q266-H268 PolarHBondContact O-N 3.16Å; Q266-H268 VanDerWaalsContact O-N 3.13Å; Q266-L269 PolarHBondContact O-N 3.48Å
267Q52.4Low63.5Low83 Ų8394.4 Ų94.439%0.38849%0.493SS..THydrogen-bonded Turntrans-65.2-16-176.7-77.4171.323.400114.6L263 T264 V265 W270L263-Q267 WeakPolarHBondContact O-CG 3.45Å; T264-Q267 PolarHBondContact O-N 3.38Å; V265-Q267 VanDerWaalsContact C-N 3.3Å; V265-Q267 PolarHBondContact O-N 2.88Å; Q267-W270 PolarHBondContact O-NE1 3.29Å
268H62.8Low65.8Low102 Ų10292.8 Ų92.847%0.47248%0.481SS..THydrogen-bonded Turntrans-108.8-2.1-179.4-82.7-84.8000115.6Q266 W270 R295Q266-H268 PolarHBondContact O-N 3.16Å; Q266-H268 VanDerWaalsContact O-N 3.13Å; H268-W270 VanDerWaalsContact C-N 3.28Å; H268-W270 PolarHBondContact O-N 3.26Å; H268-R295 PolarHBondContact CE1-O 3.27Å; H268-R295 PolarHBondContact O-NH1 2.9Å
269L80.6Confident68.4Low146 Ų14692.4 Ų92.476%0.76448%0.479SS*.  trans-78-2-167.7-144.970.4000115.6Q266Q266-L269 PolarHBondContact O-N 3.48Å
270W91.7Very high70.6Confident10 Ų1087.7 Ų87.74%0.03846%0.455CS..  trans-95.2147.917955.2-87000112.4Q267 H268 I272 D274 L277 P278 R295 V297 Y399Q267-W270 PolarHBondContact O-NE1 3.29Å; H268-W270 VanDerWaalsContact C-N 3.28Å; H268-W270 PolarHBondContact O-N 3.26Å; W270-I272 HydrophobicContact CZ3-CB 4.17Å; W270-I272 HydrophobicContact CZ3-CG1 4.46Å; W270-D274 WeakPolarHBondContact CA-OD2 3.45Å; W270-L277 HydrophobicContact CB-CD2 4.37Å; W270-L277 HydrophobicContact CD2-CD2 4.29Å; W270-L277 HydrophobicContact CE3-CD2 3.72Å; W270-L277 HydrophobicContact CZ3-CD2 4.46Å; W270-P278 HydrophobicContact CB-CG 4.16Å; W270-P278 HydrophobicContact CG-CG 4.08Å; W270-R295 HydrophobicContact CH2-CB 3.86Å; W270-R295 HydrophobicContact CH2-CG 4.22Å; W270-R295 HydrophobicContact CZ2-CB 3.81Å; W270-R295 HydrophobicContact CZ2-CG 4.47Å; W270-R295 VanDerWaalsContact O-CD 3.25Å; W270-R295 WeakPolarHBondContact O-CD 3.37Å; W270-R295 PolarHBondContact O-NE 3.37Å; W270-R295 VanDerWaalsContact O-NE 3.13Å; W270-R295 PolarHBondContact O-NH1 3.2Å; W270-V297 HydrophobicContact CH2-CG2 4.15Å; W270-V297 HydrophobicContact CZ2-CG2 3.45Å; W270-V297 VanDerWaalsContact CZ2-CG2 3.45Å; W270-Y399 HydrophobicContact CD2-CD1 4.4Å; W270-Y399 HydrophobicContact CE3-CD1 4.26Å; W270-Y399 AromaticContact CH2-CD1 3.97Å; W270-Y399 HydrophobicContact CH2-CD1 3.97Å; W270-Y399 HydrophobicContact CZ2-CD1 4.11Å; W270-Y399 HydrophobicContact CZ3-CD1 4.05Å
271D91.6Very high73.1Confident32 Ų3287.5 Ų87.517%0.17145%0.454CS..  trans-103.6147162.4-175.1-78.2000109.6K273 D274 L277 R295 K403D271-K273 PolarHBondContact O-N 3.07Å; D271-K273 WeakPolarHBondContact OD1-CB 3.47Å; D271-K273 WeakPolarHBondContact OD1-CD 3.45Å; D271-K273 WeakPolarHBondContact OD1-CG 3.37Å; D271-K273 PolarHBondContact OD1-N 3Å; D271-D274 PolarHBondContact N-OD2 3.38Å; D271-D274 WeakPolarHBondContact O-CB 3.46Å; D271-D274 PolarHBondContact O-N 3.44Å; D271-D274 VanDerWaalsContact O-OD2 3.11Å; D271-L277 WeakPolarHBondContact O-CD2 3.47Å; D271-R295 IonicContact OD2-NH2 3.5Å; D271-R295 PolarHBondContact OD2-NH2 2.95Å; D271-K403 IonicContact OD2-NZ 2.82Å; D271-K403 PolarHBondContact OD2-NZ 3.11Å
272I94.1Very high75.7Confident0 Ų091.2 Ų91.20%046%0.456CS..THydrogen-bonded Turntrans-64-14.4-174.1-159.8157.5000113.8W270 F390 R392 E401W270-I272 HydrophobicContact CZ3-CB 4.17Å; W270-I272 HydrophobicContact CZ3-CG1 4.46Å; I272-F390 HydrophobicContact CD1-CB 3.87Å; I272-F390 WeakPolarHBondContact CD1-O 3.39Å; I272-F390 HydrophobicContact CG2-CB 3.68Å; I272-F390 HydrophobicContact CG2-CG 4.11Å; I272-R392 HydrophobicContact CD1-CB 4.15Å; I272-R392 HydrophobicContact CG1-CB 3.84Å; I272-R392 WeakPolarHBondContact O-CD 3.32Å; I272-R392 PolarHBondContact O-NH1 3.13Å; I272-E401 HydrophobicContact CB-CB 4.24Å; I272-E401 HydrophobicContact CD1-CB 4.24Å; I272-E401 HydrophobicContact CG2-CB 4.26Å; I272-E401 VanDerWaalsContact CG2-OE2 3.31Å; I272-E401 WeakPolarHBondContact CG2-OE2 3.5Å
273K91.4Very high78.6Confident118 Ų11893.9 Ų93.951%0.51346%0.458SS..THydrogen-bonded Turntrans-81.8-15.3176-60166.9-164.8166.80114.3D271D271-K273 PolarHBondContact O-N 3.07Å; D271-K273 WeakPolarHBondContact OD1-CB 3.47Å; D271-K273 WeakPolarHBondContact OD1-CD 3.45Å; D271-K273 WeakPolarHBondContact OD1-CG 3.37Å; D271-K273 PolarHBondContact OD1-N 3Å
274D93.7Very high81.2Confident62 Ų6293.2 Ų93.233%0.33246%0.455SS..  trans-54.9141.3-169.6-65.6-19.7000112.2W270 D271 K276 L277 R392W270-D274 WeakPolarHBondContact CA-OD2 3.45Å; D271-D274 PolarHBondContact N-OD2 3.38Å; D271-D274 WeakPolarHBondContact O-CB 3.46Å; D271-D274 PolarHBondContact O-N 3.44Å; D271-D274 VanDerWaalsContact O-OD2 3.11Å; D274-K276 PolarHBondContact O-N 3.4Å; D274-L277 HydrophobicContact CB-CD2 4.47Å; D274-R392 PolarHBondContact O-NH1 2.97Å; D274-R392 PolarHBondContact O-NH2 3.03Å; D274-R392 VanDerWaalsContact O-NH2 3.12Å
275L91.2Very high83.9Confident174 Ų17493.7 Ų93.791%0.91146%0.462SS*.SBendtrans-56.1-38.7-175.5-71174.1000112.1
276K91Very high86.5Confident191 Ų19191 Ų9183%0.8344%0.441SS*.SBendtrans-126.2127.3170-63178-178.4176.70108.2D274D274-K276 PolarHBondContact O-N 3.4Å
277L93.9Very high89Confident12 Ų1287.8 Ų87.86%0.06343%0.426CS..PPolyproline II helixtrans-85.2149.5169.5-71.3163.6000109.4W270 D271 D274 R392 A394 N395 Y399W270-L277 HydrophobicContact CB-CD2 4.37Å; W270-L277 HydrophobicContact CD2-CD2 4.29Å; W270-L277 HydrophobicContact CE3-CD2 3.72Å; W270-L277 HydrophobicContact CZ3-CD2 4.46Å; D271-L277 WeakPolarHBondContact O-CD2 3.47Å; D274-L277 HydrophobicContact CB-CD2 4.47Å; L277-R392 HydrophobicContact CD1-CB 4.46Å; L277-R392 HydrophobicContact CD1-CG 3.97Å; L277-A394 HydrophobicContact CD1-CB 3.99Å; L277-N395 PolarHBondContact O-ND2 3.36Å; L277-Y399 HydrophobicContact CB-CD1 4.38Å; L277-Y399 HydrophobicContact CB-CE1 4.08Å; L277-Y399 HydrophobicContact CB-CE2 4.45Å; L277-Y399 HydrophobicContact CD1-CD1 4.07Å; L277-Y399 HydrophobicContact CD1-CD2 3.78Å; L277-Y399 HydrophobicContact CD1-CE2 4.28Å; L277-Y399 HydrophobicContact CD1-CG 3.73Å; L277-Y399 HydrophobicContact CD2-CD1 4.25Å; L277-Y399 HydrophobicContact CG-CD1 4.48Å
278P92.8Very high91.1Very high60 Ų6085.3 Ų85.339%0.3942%0.415SS..PPolyproline II helixtrans-66.6146.7177.428.6-34.9000110.7W270 V280 N395 Y399W270-P278 HydrophobicContact CB-CG 4.16Å; W270-P278 HydrophobicContact CG-CG 4.08Å; P278-V280 PolarHBondContact O-N 3.39Å; P278-N395 VanDerWaalsContact C-ND2 3.27Å; P278-N395 PolarHBondContact O-ND2 3.17Å; P278-Y399 PolarHBondContact O-OH 3.43Å
279K92.2Very high92.8Very high163 Ų16382.5 Ų82.571%0.70940%0.401SS*.PPolyproline II helixtrans-80.4117.9169.5-177.2-174.1175.3-170.90108.4N395K279-N395 HydrophobicContact CB-CB 4.47Å; K279-N395 HydrophobicContact CG-CB 4.49Å
280V88.4Confident93.5Very high25 Ų2575.7 Ų75.715%0.15237%0.365CS..PPolyproline II helixtrans-90147.9177.2-59.80000111.9P278 Y282 Y283 V297P278-V280 PolarHBondContact O-N 3.39Å; V280-Y282 VanDerWaalsContact CG2-O 3.25Å; V280-Y282 WeakPolarHBondContact CG2-O 2.97Å; V280-Y283 HydrophobicContact CG2-CD1 4.07Å; V280-Y283 HydrophobicContact CG2-CE1 3.82Å; V280-V297 HydrophobicContact CG1-CG1 4.48Å; V280-V297 HydrophobicContact CG1-CG2 4.27Å; V280-V297 HydrophobicContact CG2-CB 4.16Å; V280-V297 HydrophobicContact CG2-CG1 3.6Å
281N89.8Confident93.5Very high133 Ų13378.2 Ų78.271%0.71138%0.382SS*.SBendtrans-99.5-13.9171.4-65.8-18.8000112.6
282Y92.1Very high93.6Very high161 Ų16177.5 Ų77.563%0.63138%0.382SS*.  trans-116.6152.9178.9-59.9-77.5000109.9V280V280-Y282 VanDerWaalsContact CG2-O 3.25Å; V280-Y282 WeakPolarHBondContact CG2-O 2.97Å
283Y95.7Very high93.6Very high112 Ų11283.9 Ų83.944%0.43941%0.411SS..  trans-132.3138.9-178.7-61.3-68.5000111.3V280 V297 A299 A397V280-Y283 HydrophobicContact CG2-CD1 4.07Å; V280-Y283 HydrophobicContact CG2-CE1 3.82Å; Y283-V297 CarbonylContact C-O 3.51Å; Y283-V297 VanDerWaalsContact CA-O 3.31Å; Y283-V297 WeakPolarHBondContact CA-O 3.16Å; Y283-A299 HydrophobicContact CD1-CB 4.02Å; Y283-A299 HydrophobicContact CD2-CB 3.78Å; Y283-A299 HydrophobicContact CE1-CB 4.4Å; Y283-A299 HydrophobicContact CE2-CB 4.19Å; Y283-A299 HydrophobicContact CG-CB 3.68Å; Y283-A397 HydrophobicContact CD1-CB 4.48Å; Y283-A397 HydrophobicContact CE1-CB 3.74Å
284D96Very high93.8Very high67 Ų6779.5 Ų79.536%0.35840%0.395SS..  trans-66.2144.8175.2-76.3-82.4000112.8R296 V297 Y298D284-R296 HydrophobicContact CB-CB 3.97Å; D284-R296 HydrophobicContact CB-CG 4.17Å; D284-R296 WeakPolarHBondContact OD2-CA 3.42Å; D284-R296 VanDerWaalsContact OD2-CB 3.3Å; D284-R296 WeakPolarHBondContact OD2-CB 3.13Å; D284-V297 PolarHBondContact N-O 3.07Å; D284-V297 PolarHBondContact OD2-N 3.19Å; D284-Y298 HydrophobicContact CB-CD1 3.9Å; D284-Y298 HydrophobicContact CB-CE1 3.97Å
285S96.1Very high94Very high90 Ų9079.5 Ų79.563%0.62939%0.391SS*.  trans-61.9140.8161.3-750000110.4E287S285-E287 PolarHBondContact O-N 3.47Å
286Y96.6Very high94.2Very high43 Ų4373.6 Ų73.617%0.16936%0.356CS..  trans-68.9108-172.8176.9-94.2000112.6L288 Y298 R304 A305 Q309Y286-L288 HydrophobicContact CE1-CB 4.25Å; Y286-L288 HydrophobicContact CE1-CD1 4.17Å; Y286-Y298 HydrophobicContact CD2-CD1 4.39Å; Y286-Y298 HydrophobicContact CD2-CE1 4.29Å; Y286-R304 HydrophobicContact CD1-CB 3.83Å; Y286-R304 HydrophobicContact CD1-CG 4.41Å; Y286-R304 HydrophobicContact CD2-CB 3.87Å; Y286-R304 HydrophobicContact CE1-CB 3.73Å; Y286-R304 HydrophobicContact CE1-CG 4.41Å; Y286-R304 VanDerWaalsContact CE1-NE 3.27Å; Y286-R304 HydrophobicContact CE2-CB 3.76Å; Y286-R304 HydrophobicContact CG-CB 3.91Å; Y286-A305 HydrophobicContact CD2-CB 4.19Å; Y286-A305 HydrophobicContact CE2-CB 4.41Å; Y286-Q309 WeakPolarHBondContact OH-CB 3.46Å; Y286-Q309 PolarHBondContact OH-O 2.86Å
287E95.9Very high94.5Very high59 Ų5964.8 Ų64.828%0.27632%0.319SS..  trans-77.6119.6176.217668.1-92.200111.1S285 W289 P290 R296S285-E287 PolarHBondContact O-N 3.47Å; E287-W289 PolarHBondContact OE1-N 3.24Å; E287-P290 HydrophobicContact CG-CB 3.73Å; E287-P290 HydrophobicContact CG-CG 4.31Å; E287-R296 IonicContact OE2-CZ 3.4Å; E287-R296 IonicContact OE2-NH1 3.72Å; E287-R296 IonicContact OE2-NH2 3.2Å; E287-R296 PolarHBondContact OE2-NH2 2.78Å
288L96Very high94.7Very high31 Ų3164.3 Ų64.316%0.16232%0.316CS..SBendtrans-83.8-31.5174.6-175.462.5000111.9Y286 P290 S310 G311 L413Y286-L288 HydrophobicContact CE1-CB 4.25Å; Y286-L288 HydrophobicContact CE1-CD1 4.17Å; L288-P290 VanDerWaalsContact O-CD 3.27Å; L288-P290 WeakPolarHBondContact O-CD 3.09Å; L288-S310 PolarHBondContact O-OG 3.02Å; L288-G311 PolarHBondContact O-N 2.89Å; L288-L413 HydrophobicContact CD2-CD1 4.5Å; L288-L413 HydrophobicContact CD2-CD2 3.99Å
289W97.1Very high94.8Very high44 Ų4462.3 Ų62.317%0.16731%0.305CS..SBendtrans-121.353.7-171.6-67.3108.8000112.5E287 T291 G311 W312 R410 P411 L413E287-W289 PolarHBondContact OE1-N 3.24Å; W289-T291 PolarHBondContact O-N 3.39Å; W289-G311 VanDerWaalsContact CH2-C 3.41Å; W289-G311 WeakPolarHBondContact CH2-O 3.4Å; W289-G311 WeakPolarHBondContact CZ3-O 3.4Å; W289-W312 AromaticContact CE3-CD2 3.71Å; W289-W312 HydrophobicContact CE3-CD2 3.71Å; W289-W312 AromaticContact CE3-CE2 3.66Å; W289-W312 HydrophobicContact CE3-CE3 4.16Å; W289-W312 HydrophobicContact CE3-CG 4.09Å; W289-W312 HydrophobicContact CE3-CH2 4.5Å; W289-W312 HydrophobicContact CE3-CZ2 4.07Å; W289-W312 AromaticContact CE3-NE1 3.96Å; W289-W312 AromaticContact CZ3-CD2 3.72Å; W289-W312 HydrophobicContact CZ3-CD2 3.72Å; W289-W312 AromaticContact CZ3-CE3 3.76Å; W289-W312 HydrophobicContact CZ3-CE3 3.76Å; W289-W312 HydrophobicContact CZ3-CG 4.18Å; W289-W312 HydrophobicContact CZ3-CZ3 4.22Å; W289-R410 HydrophobicContact CD2-CG 4.35Å; W289-R410 HydrophobicContact CE3-CB 4.39Å; W289-R410 HydrophobicContact CE3-CG 3.86Å; W289-R410 HydrophobicContact CH2-CB 3.78Å; W289-R410 HydrophobicContact CH2-CG 4.17Å; W289-R410 HydrophobicContact CZ2-CB 4.34Å; W289-R410 HydrophobicContact CZ3-CB 3.8Å; W289-R410 HydrophobicContact CZ3-CG 3.76Å; W289-P411 WeakPolarHBondContact CH2-O 3.33Å; W289-L413 HydrophobicContact CH2-CD2 4.18Å; W289-L413 HydrophobicContact CZ2-CD2 3.5Å; W289-L413 HydrophobicContact CZ2-CG 4.22Å
290P96.2Very high94.9Very high2 Ų257.5 Ų57.51%0.01329%0.285CS..  trans-60.2140.3-178.328.6-34.6000109.8E287 L288 W312 F400E287-P290 HydrophobicContact CG-CB 3.73Å; E287-P290 HydrophobicContact CG-CG 4.31Å; L288-P290 VanDerWaalsContact O-CD 3.27Å; L288-P290 WeakPolarHBondContact O-CD 3.09Å; P290-W312 PolarHBondContact O-NE1 2.8Å; P290-F400 HydrophobicContact CB-CE1 3.67Å; P290-F400 HydrophobicContact CB-CZ 3.61Å; P290-F400 HydrophobicContact CG-CE1 4.11Å; P290-F400 HydrophobicContact CG-CE2 4.35Å; P290-F400 HydrophobicContact CG-CZ 3.53Å
291T92.2Very high95.3Very high63 Ų6362.4 Ų62.439%0.38732%0.315SS..  trans-144.5161.9180-163.60000109.9W289 C294W289-T291 PolarHBondContact O-N 3.39Å; T291-C294 PolarHBondContact O-SG 3.42Å
292G93.9Very high95.6Very high17 Ų1757.5 Ų57.518%0.17529%0.29CS..SBendtrans62.6-168.6-174.900000113.6C294 A402 G404G292-C294 PolarHBondContact O-N 2.92Å; G292-A402 WeakPolarHBondContact O-CB 3.41Å; G292-G404 CarbonylContact C-O 3.57Å; G292-G404 VanDerWaalsContact CA-O 3.3Å; G292-G404 WeakPolarHBondContact CA-O 3.49Å; G292-G404 PolarHBondContact N-O 3.49Å
293H94.6Very high95.7Very high135 Ų13553 Ų5363%0.62528%0.275SS*.SBendtrans-82.149.8-177.5-63.792.8000112.5H382 A402 G404H293-H382 AromaticContact NE2-CE1 3.88Å; H293-H382 AromaticContact NE2-ND1 3.69Å; H293-A402 CarbonylContact C-O 3.57Å; H293-A402 WeakPolarHBondContact CA-O 3.45Å; H293-G404 PolarHBondContact CD2-N 3.27Å; H293-G404 PolarHBondContact NE2-N 3.49Å
294C95Very high95.7Very high26 Ų2651.1 Ų51.118%0.17627%0.267CS..  trans-85.6144.8-174.759.70000113.5T291 G292 R296 E401 A402T291-C294 PolarHBondContact O-SG 3.42Å; G292-C294 PolarHBondContact O-N 2.92Å; C294-R296 PolarHBondContact SG-NH1 3.1Å; C294-R296 VanDerWaalsContact SG-NH1 3.36Å; C294-E401 WeakPolarHBondContact O-CA 3.37Å; C294-A402 PolarHBondContact O-N 3.45Å
295R96.5Very high95.8Very high61 Ų6148 Ų4823%0.2325%0.25CS..EExtended strand (participates in β ladder)trans-115.2146.7169.2-69.6173.4-175.1155.5-5.4109.2H268 W270 D271 F400 E401H268-R295 PolarHBondContact CE1-O 3.27Å; H268-R295 PolarHBondContact O-NH1 2.9Å; W270-R295 HydrophobicContact CH2-CB 3.86Å; W270-R295 HydrophobicContact CH2-CG 4.22Å; W270-R295 HydrophobicContact CZ2-CB 3.81Å; W270-R295 HydrophobicContact CZ2-CG 4.47Å; W270-R295 VanDerWaalsContact O-CD 3.25Å; W270-R295 WeakPolarHBondContact O-CD 3.37Å; W270-R295 PolarHBondContact O-NE 3.37Å; W270-R295 VanDerWaalsContact O-NE 3.13Å; W270-R295 PolarHBondContact O-NH1 3.2Å; D271-R295 IonicContact OD2-NH2 3.5Å; D271-R295 PolarHBondContact OD2-NH2 2.95Å; R295-F400 CarbonylContact C-O 3.51Å; R295-F400 WeakPolarHBondContact CA-O 3.48Å; R295-E401 HydrophobicContact CG-CB 4.17Å; R295-E401 HydrophobicContact CG-CG 3.82Å; R295-E401 IonicContact CZ-OE1 2.76Å; R295-E401 IonicContact NE-OE1 3.75Å; R295-E401 PolarHBondContact NE-OE1 2.97Å; R295-E401 IonicContact NH2-OE1 2.84Å; R295-E401 PolarHBondContact NH2-OE1 3.11Å
296R96.5Very high95.8Very high50 Ų5049.4 Ų49.419%0.18924%0.242CC..EExtended strand (participates in β ladder)trans-149.6156175.5-69.7-170.1178.589.8-13.9111.1D284 E287 C294 Y298 F400D284-R296 HydrophobicContact CB-CB 3.97Å; D284-R296 HydrophobicContact CB-CG 4.17Å; D284-R296 WeakPolarHBondContact OD2-CA 3.42Å; D284-R296 VanDerWaalsContact OD2-CB 3.3Å; D284-R296 WeakPolarHBondContact OD2-CB 3.13Å; E287-R296 IonicContact OE2-CZ 3.4Å; E287-R296 IonicContact OE2-NH1 3.72Å; E287-R296 IonicContact OE2-NH2 3.2Å; E287-R296 PolarHBondContact OE2-NH2 2.78Å; C294-R296 PolarHBondContact SG-NH1 3.1Å; C294-R296 VanDerWaalsContact SG-NH1 3.36Å; R296-Y298 HydrophobicContact CB-CE1 3.98Å; R296-Y298 HydrophobicContact CB-CE2 4.45Å; R296-Y298 WeakPolarHBondContact CD-OH 3.45Å; R296-F400 HydrophobicContact CB-CB 4.4Å; R296-F400 HydrophobicContact CB-CD1 4.23Å; R296-F400 PolarHBondContact N-O 3.38Å; R296-F400 PolarHBondContact O-N 3.22Å
297V97.3Very high95.8Very high7 Ų754.6 Ų54.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-128.7105.9173.7-167.40000109.7W270 V280 Y283 D284 A397 Y399W270-V297 HydrophobicContact CH2-CG2 4.15Å; W270-V297 HydrophobicContact CZ2-CG2 3.45Å; W270-V297 VanDerWaalsContact CZ2-CG2 3.45Å; V280-V297 HydrophobicContact CG1-CG1 4.48Å; V280-V297 HydrophobicContact CG1-CG2 4.27Å; V280-V297 HydrophobicContact CG2-CB 4.16Å; V280-V297 HydrophobicContact CG2-CG1 3.6Å; Y283-V297 CarbonylContact C-O 3.51Å; Y283-V297 VanDerWaalsContact CA-O 3.31Å; Y283-V297 WeakPolarHBondContact CA-O 3.16Å; D284-V297 PolarHBondContact N-O 3.07Å; D284-V297 PolarHBondContact OD2-N 3.19Å; V297-A397 HydrophobicContact CG1-CB 3.71Å; V297-Y399 HydrophobicContact CB-CD1 4.31Å; V297-Y399 HydrophobicContact CB-CE1 4.31Å; V297-Y399 HydrophobicContact CG1-CD1 3.85Å; V297-Y399 HydrophobicContact CG1-CD2 4.35Å; V297-Y399 HydrophobicContact CG1-CE1 3.61Å; V297-Y399 HydrophobicContact CG1-CE2 4.12Å; V297-Y399 HydrophobicContact CG1-CG 4.17Å; V297-Y399 HydrophobicContact CG2-CD1 3.53Å; V297-Y399 HydrophobicContact CG2-CE1 3.65Å; V297-Y399 HydrophobicContact CG2-CG 4.38Å
298Y97.4Very high95.8Very high1 Ų154 Ų540%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-89.9145.6-179.5-49.6-65000111.5D284 Y286 R296 A305 W391 V398 F400D284-Y298 HydrophobicContact CB-CD1 3.9Å; D284-Y298 HydrophobicContact CB-CE1 3.97Å; Y286-Y298 HydrophobicContact CD2-CD1 4.39Å; Y286-Y298 HydrophobicContact CD2-CE1 4.29Å; R296-Y298 HydrophobicContact CB-CE1 3.98Å; R296-Y298 HydrophobicContact CB-CE2 4.45Å; R296-Y298 WeakPolarHBondContact CD-OH 3.45Å; Y298-A305 HydrophobicContact CD2-CB 3.53Å; Y298-A305 HydrophobicContact CE2-CB 4.44Å; Y298-A305 HydrophobicContact CG-CB 3.74Å; Y298-W391 HydrophobicContact CD2-CZ3 4.26Å; Y298-W391 HydrophobicContact CE2-CH2 4.45Å; Y298-W391 AromaticContact CE2-CZ3 3.84Å; Y298-W391 HydrophobicContact CE2-CZ3 3.84Å; Y298-V398 PolarHBondContact N-O 3.03Å; Y298-V398 PolarHBondContact O-N 3.13Å; Y298-F400 HydrophobicContact CD2-CB 4.19Å; Y298-F400 HydrophobicContact CE2-CB 3.54Å; Y298-F400 HydrophobicContact CE2-CD2 4.4Å; Y298-F400 AromaticContact CE2-CG 3.91Å; Y298-F400 HydrophobicContact CE2-CG 3.91Å
299A96.1Very high95.8Very high19 Ų1954.1 Ų54.116%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-59.414317200000111.5Y283 T301 C302Y283-A299 HydrophobicContact CD1-CB 4.02Å; Y283-A299 HydrophobicContact CD2-CB 3.78Å; Y283-A299 HydrophobicContact CE1-CB 4.4Å; Y283-A299 HydrophobicContact CE2-CB 4.19Å; Y283-A299 HydrophobicContact CG-CB 3.68Å; A299-T301 PolarHBondContact O-N 3.19Å; A299-T301 VanDerWaalsContact O-N 3.16Å; A299-C302 WeakPolarHBondContact O-CB 3.36Å; A299-C302 PolarHBondContact O-N 3.34Å
300Q94.4Very high95.8Very high62 Ų6252.5 Ų52.529%0.2925%0.254SS..THydrogen-bonded Turntrans-64.2-17.8176.3176.566.2-16.300113.5C302 R306 F393 G396Q300-C302 PolarHBondContact O-N 3.23Å; Q300-R306 WeakPolarHBondContact O-CD 3.37Å; Q300-F393 HydrophobicContact CB-CE2 4.11Å; Q300-F393 HydrophobicContact CG-CE2 3.78Å; Q300-F393 HydrophobicContact CG-CZ 4.29Å; Q300-F393 VanDerWaalsContact NE2-CE2 3.34Å; Q300-F393 VanDerWaalsContact OE1-CE2 3.31Å; Q300-G396 WeakPolarHBondContact CB-O 3.47Å
301T95.4Very high95.8Very high128 Ų12852.4 Ų52.479%0.78525%0.253SS*.THydrogen-bonded Turntrans-67.8-18.9168.950.40000112.8A299 E303A299-T301 PolarHBondContact O-N 3.19Å; A299-T301 VanDerWaalsContact O-N 3.16Å; T301-E303 PolarHBondContact O-N 2.87Å
302C95.8Very high96.1Very high29 Ų2949.9 Ų49.920%0.19624%0.237CC..  trans-74.393.5178.6-1720000111.8A299 Q300 R304 A305 R306A299-C302 WeakPolarHBondContact O-CB 3.36Å; A299-C302 PolarHBondContact O-N 3.34Å; Q300-C302 PolarHBondContact O-N 3.23Å; C302-R304 PolarHBondContact O-N 3.33Å; C302-R304 VanDerWaalsContact O-N 3.15Å; C302-A305 HydrophobicContact CB-CB 3.92Å; C302-A305 WeakPolarHBondContact O-CB 3.35Å; C302-A305 PolarHBondContact O-N 3.06Å; C302-R306 PolarHBondContact O-N 3.01Å
303E95.6Very high96.3Very high66 Ų6649.1 Ų49.131%0.30823%0.228SC..Hα-helixtrans-61.1-24.3178.9-174.162.5-175.700113.2T301 R306 R307T301-E303 PolarHBondContact O-N 2.87Å; E303-R306 IonicContact OE2-CZ 3.05Å; E303-R306 VanDerWaalsContact OE2-CZ 3.22Å; E303-R306 IonicContact OE2-NE 3.22Å; E303-R306 PolarHBondContact OE2-NE 3.12Å; E303-R306 IonicContact OE2-NH1 2.7Å; E303-R306 PolarHBondContact OE2-NH1 2.9Å; E303-R306 VanDerWaalsContact OE2-NH1 3.17Å; E303-R306 IonicContact OE2-NH2 3.78Å; E303-R307 HydrophobicContact CG-CG 4.48Å; E303-R307 VanDerWaalsContact O-CB 3.28Å; E303-R307 WeakPolarHBondContact O-CB 3.41Å; E303-R307 WeakPolarHBondContact O-CD 3.44Å; E303-R307 WeakPolarHBondContact O-CG 3.45Å; E303-R307 PolarHBondContact O-N 3.04Å; E303-R307 IonicContact OE1-CZ 2.71Å; E303-R307 IonicContact OE1-NE 3.47Å; E303-R307 PolarHBondContact OE1-NE 3.04Å; E303-R307 IonicContact OE1-NH2 2.71Å; E303-R307 PolarHBondContact OE1-NH2 3.41Å
304R96.2Very high96.4Very high74 Ų7443.4 Ų43.428%0.27920%0.202SC..Hα-helixtrans-69.8-39.9173.7-64168.171.3137.4-11.3111.3Y286 C302 H308 Q309Y286-R304 HydrophobicContact CD1-CB 3.83Å; Y286-R304 HydrophobicContact CD1-CG 4.41Å; Y286-R304 HydrophobicContact CD2-CB 3.87Å; Y286-R304 HydrophobicContact CE1-CB 3.73Å; Y286-R304 HydrophobicContact CE1-CG 4.41Å; Y286-R304 VanDerWaalsContact CE1-NE 3.27Å; Y286-R304 HydrophobicContact CE2-CB 3.76Å; Y286-R304 HydrophobicContact CG-CB 3.91Å; C302-R304 PolarHBondContact O-N 3.33Å; C302-R304 VanDerWaalsContact O-N 3.15Å; R304-H308 PolarHBondContact O-N 2.97Å; R304-Q309 WeakPolarHBondContact O-CB 3.25Å; R304-Q309 PolarHBondContact O-N 2.79Å
305A97Very high96.6Very high0 Ų046 Ų460%021%0.208CC..Hα-helixtrans-70.1-46.7173.700000112.2Y286 Y298 C302 R307 H308 V398Y286-A305 HydrophobicContact CD2-CB 4.19Å; Y286-A305 HydrophobicContact CE2-CB 4.41Å; Y298-A305 HydrophobicContact CD2-CB 3.53Å; Y298-A305 HydrophobicContact CE2-CB 4.44Å; Y298-A305 HydrophobicContact CG-CB 3.74Å; C302-A305 HydrophobicContact CB-CB 3.92Å; C302-A305 WeakPolarHBondContact O-CB 3.35Å; C302-A305 PolarHBondContact O-N 3.06Å; A305-R307 VanDerWaalsContact C-N 3.27Å; A305-R307 PolarHBondContact O-N 3.3Å; A305-H308 VanDerWaalsContact O-CA 3.28Å; A305-H308 WeakPolarHBondContact O-CA 3.47Å; A305-H308 PolarHBondContact O-CD2 3.47Å; A305-H308 PolarHBondContact O-N 3.09Å; A305-V398 HydrophobicContact CB-CB 4.1Å; A305-V398 HydrophobicContact CB-CG1 4.14Å; A305-V398 HydrophobicContact CB-CG2 4.36Å
306R96.3Very high96.6Very high121 Ų12148.3 Ų48.346%0.45723%0.225SC..Hα-helixtrans-58.1-35.3174.9-80.5175.456.7-162.70.6113.8Q300 C302 E303 H308 V398Q300-R306 WeakPolarHBondContact O-CD 3.37Å; C302-R306 PolarHBondContact O-N 3.01Å; E303-R306 IonicContact OE2-CZ 3.05Å; E303-R306 VanDerWaalsContact OE2-CZ 3.22Å; E303-R306 IonicContact OE2-NE 3.22Å; E303-R306 PolarHBondContact OE2-NE 3.12Å; E303-R306 IonicContact OE2-NH1 2.7Å; E303-R306 PolarHBondContact OE2-NH1 2.9Å; E303-R306 VanDerWaalsContact OE2-NH1 3.17Å; E303-R306 IonicContact OE2-NH2 3.78Å; R306-H308 PolarHBondContact O-CE1 2.98Å; R306-H308 VanDerWaalsContact O-CE1 3.25Å; R306-H308 PolarHBondContact O-N 3.29Å; R306-H308 PolarHBondContact O-ND1 3.5Å; R306-V398 HydrophobicContact CG-CG2 4.18Å
307R96.1Very high96.5Very high151 Ų15147.5 Ų47.557%0.5723%0.225SC*.THydrogen-bonded Turntrans-79.3-0.1173-69.8173.6-174.51718.8113E303 A305 Q309E303-R307 HydrophobicContact CG-CG 4.48Å; E303-R307 VanDerWaalsContact O-CB 3.28Å; E303-R307 WeakPolarHBondContact O-CB 3.41Å; E303-R307 WeakPolarHBondContact O-CD 3.44Å; E303-R307 WeakPolarHBondContact O-CG 3.45Å; E303-R307 PolarHBondContact O-N 3.04Å; E303-R307 IonicContact OE1-CZ 2.71Å; E303-R307 IonicContact OE1-NE 3.47Å; E303-R307 PolarHBondContact OE1-NE 3.04Å; E303-R307 IonicContact OE1-NH2 2.71Å; E303-R307 PolarHBondContact OE1-NH2 3.41Å; A305-R307 VanDerWaalsContact C-N 3.27Å; A305-R307 PolarHBondContact O-N 3.3Å; R307-Q309 HydrophobicContact CB-CG 3.77Å; R307-Q309 PolarHBondContact O-N 3.17Å
308H96.3Very high96.3Very high48 Ų4852.5 Ų52.522%0.22225%0.252CS..THydrogen-bonded Turntrans52.741.6-179-48.4108.9000111.8R304 A305 R306 L325 K327 W391R304-H308 PolarHBondContact O-N 2.97Å; A305-H308 VanDerWaalsContact O-CA 3.28Å; A305-H308 WeakPolarHBondContact O-CA 3.47Å; A305-H308 PolarHBondContact O-CD2 3.47Å; A305-H308 PolarHBondContact O-N 3.09Å; R306-H308 PolarHBondContact O-CE1 2.98Å; R306-H308 VanDerWaalsContact O-CE1 3.25Å; R306-H308 PolarHBondContact O-N 3.29Å; R306-H308 PolarHBondContact O-ND1 3.5Å; H308-L325 HydrophobicContact CB-CD2 4.02Å; H308-L325 WeakPolarHBondContact ND1-CD2 3.43Å; H308-K327 PolarHBondContact O-NZ 2.84Å; H308-W391 HydrophobicContact CB-CD2 3.85Å; H308-W391 HydrophobicContact CB-CE3 4.25Å; H308-W391 HydrophobicContact CB-CG 4.1Å; H308-W391 HydrophobicContact CB-CZ2 4.43Å; H308-W391 WeakPolarHBondContact CD2-CB 3.5Å; H308-W391 AromaticContact CD2-CD2 3.63Å; H308-W391 AromaticContact CD2-CE3 3.71Å; H308-W391 AromaticContact CD2-CG 3.52Å
309Q96.4Very high96Very high32 Ų3254.9 Ų54.915%0.1527%0.265CS..  trans-72.1159.5-174.8-67.3-176.3-0.600111.6Y286 R304 R307 W391Y286-Q309 WeakPolarHBondContact OH-CB 3.46Å; Y286-Q309 PolarHBondContact OH-O 2.86Å; R304-Q309 WeakPolarHBondContact O-CB 3.25Å; R304-Q309 PolarHBondContact O-N 2.79Å; R307-Q309 HydrophobicContact CB-CG 3.77Å; R307-Q309 PolarHBondContact O-N 3.17Å; Q309-W391 WeakPolarHBondContact O-CH2 3.41Å; Q309-W391 VanDerWaalsContact O-CZ2 3.31Å; Q309-W391 WeakPolarHBondContact O-CZ2 3.41Å
310S96.5Very high95.8Very high10 Ų1061.9 Ų61.97%0.0729%0.294CS..  trans-162.3148.8169.1-178.60000109.5L288 W312 R349 H389L288-S310 PolarHBondContact O-OG 3.02Å; S310-W312 PolarHBondContact O-N 2.88Å; S310-W312 PolarHBondContact OG-N 3.15Å; S310-W312 VanDerWaalsContact OG-N 3.16Å; S310-R349 PolarHBondContact O-NH2 2.71Å; S310-R349 VanDerWaalsContact O-NH2 3.14Å; S310-H389 PolarHBondContact OG-CE1 2.85Å
311G96.9Very high95.7Very high0 Ų061.6 Ų61.60%030%0.295CS..SBendtrans-60-34.4166.900000111.4L288 W289 R349L288-G311 PolarHBondContact O-N 2.89Å; W289-G311 VanDerWaalsContact CH2-C 3.41Å; W289-G311 WeakPolarHBondContact CH2-O 3.4Å; W289-G311 WeakPolarHBondContact CZ3-O 3.4Å; G311-R349 VanDerWaalsContact O-CZ 3.25Å; G311-R349 PolarHBondContact O-NH1 2.84Å; G311-R349 PolarHBondContact O-NH2 3.04Å
312W98.2Very high95.5Very high11 Ų1161.8 Ų61.84%0.04230%0.298CS..SBendtrans-68.6152176.2-59.2119.4000113.4W289 P290 S310 M314 R349 H406 H408 R410 P411W289-W312 AromaticContact CE3-CD2 3.71Å; W289-W312 HydrophobicContact CE3-CD2 3.71Å; W289-W312 AromaticContact CE3-CE2 3.66Å; W289-W312 HydrophobicContact CE3-CE3 4.16Å; W289-W312 HydrophobicContact CE3-CG 4.09Å; W289-W312 HydrophobicContact CE3-CH2 4.5Å; W289-W312 HydrophobicContact CE3-CZ2 4.07Å; W289-W312 AromaticContact CE3-NE1 3.96Å; W289-W312 AromaticContact CZ3-CD2 3.72Å; W289-W312 HydrophobicContact CZ3-CD2 3.72Å; W289-W312 AromaticContact CZ3-CE3 3.76Å; W289-W312 HydrophobicContact CZ3-CE3 3.76Å; W289-W312 HydrophobicContact CZ3-CG 4.18Å; W289-W312 HydrophobicContact CZ3-CZ3 4.22Å; P290-W312 PolarHBondContact O-NE1 2.8Å; S310-W312 PolarHBondContact O-N 2.88Å; S310-W312 PolarHBondContact OG-N 3.15Å; S310-W312 VanDerWaalsContact OG-N 3.16Å; W312-M314 VanDerWaalsContact C-N 3.25Å; W312-M314 HydrophobicContact CB-CG 3.98Å; W312-M314 HydrophobicContact CB-SD 3.57Å; W312-M314 VanDerWaalsContact CB-SD 3.57Å; W312-M314 PolarHBondContact O-N 2.89Å; W312-R349 PolarHBondContact O-NH2 3.15Å; W312-H406 AromaticContact CD1-CD2 3.81Å; W312-H406 AromaticContact CD1-CE1 3.76Å; W312-H406 AromaticContact CD1-NE2 3.31Å; W312-H406 VanDerWaalsContact CD1-NE2 3.31Å; W312-H406 HydrophobicContact CD2-CB 4.46Å; W312-H406 AromaticContact CD2-CD2 3.78Å; W312-H406 AromaticContact CD2-CE1 3.46Å; W312-H406 VanDerWaalsContact CD2-CE1 3.46Å; W312-H406 AromaticContact CD2-CG 3.68Å; W312-H406 AromaticContact CD2-ND1 3.49Å; W312-H406 AromaticContact CD2-NE2 3.64Å; W312-H406 AromaticContact CE2-CD2 3.31Å; W312-H406 AromaticContact CE2-CE1 3.85Å; W312-H406 AromaticContact CE2-CG 3.43Å; W312-H406 VanDerWaalsContact CE2-CG 3.43Å; W312-H406 AromaticContact CE2-ND1 3.78Å; W312-H406 AromaticContact CE2-NE2 3.6Å; W312-H406 HydrophobicContact CE3-CB 4.36Å; W312-H406 AromaticContact CE3-CE1 3.87Å; W312-H406 AromaticContact CE3-CG 3.88Å; W312-H406 AromaticContact CE3-ND1 3.5Å; W312-H406 AromaticContact CG-CE1 3.43Å; W312-H406 VanDerWaalsContact CG-CE1 3.43Å; W312-H406 AromaticContact CG-ND1 3.99Å; W312-H406 AromaticContact CG-NE2 3.49Å; W312-H406 HydrophobicContact CH2-CB 3.32Å; W312-H406 AromaticContact CH2-CG 3.64Å; W312-H406 HydrophobicContact CZ2-CB 3.44Å; W312-H406 VanDerWaalsContact CZ2-CB 3.44Å; W312-H406 AromaticContact CZ2-CD2 3.63Å; W312-H406 AromaticContact CZ2-CG 3.44Å; W312-H406 VanDerWaalsContact CZ2-CG 3.44Å; W312-H406 HydrophobicContact CZ3-CB 3.81Å; W312-H406 AromaticContact CZ3-CG 3.85Å; W312-H406 AromaticContact CZ3-ND1 3.8Å; W312-H406 AromaticContact NE1-CD2 3.34Å; W312-H406 PolarHBondContact NE1-CD2 2.91Å; W312-H406 VanDerWaalsContact NE1-CD2 3.34Å; W312-H406 AromaticContact NE1-CE1 4Å; W312-H406 AromaticContact NE1-CG 3.96Å; W312-H406 AromaticContact NE1-NE2 3.38Å; W312-H406 PolarHBondContact NE1-NE2 2.85Å; W312-H408 AromaticContact CE3-CE1 3.56Å; W312-H408 AromaticContact CZ3-CE1 3.44Å; W312-H408 VanDerWaalsContact CZ3-CE1 3.44Å; W312-H408 WeakPolarHBondContact CZ3-CE1 3.22Å; W312-H408 AromaticContact CZ3-ND1 3.92Å; W312-R410 HydrophobicContact CH2-CB 4.49Å; W312-R410 HydrophobicContact CH2-CG 3.57Å; W312-R410 HydrophobicContact CZ2-CG 4.15Å; W312-R410 HydrophobicContact CZ3-CB 4.35Å; W312-R410 HydrophobicContact CZ3-CG 3.9Å; W312-P411 HydrophobicContact CE3-CG 4.45Å
313A97.6Very high95.5Very high0 Ų066.1 Ų66.10%032%0.315CS..  trans-80.167.4-176.800000111.9L330 R349 P350 P411A313-L330 HydrophobicContact CB-CB 4.19Å; A313-L330 VanDerWaalsContact O-CB 3.28Å; A313-L330 WeakPolarHBondContact O-CB 3.46Å; A313-L330 VanDerWaalsContact O-CG 3.25Å; A313-L330 WeakPolarHBondContact O-CG 3.43Å; A313-L330 PolarHBondContact O-N 3.12Å; A313-R349 HydrophobicContact CB-CG 4.36Å; A313-P350 HydrophobicContact CB-CG 4.26Å; A313-P411 HydrophobicContact CB-CG 4.22Å
314M97.7Very high95.5Very high16 Ų1663.3 Ų63.38%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-84.6122.2-171.3-52-50.7-76.300113.1W312 K327 S328 C329 H389W312-M314 VanDerWaalsContact C-N 3.25Å; W312-M314 HydrophobicContact CB-CG 3.98Å; W312-M314 HydrophobicContact CB-SD 3.57Å; W312-M314 VanDerWaalsContact CB-SD 3.57Å; W312-M314 PolarHBondContact O-N 2.89Å; M314-K327 HydrophobicContact CB-CB 4.05Å; M314-K327 HydrophobicContact CB-CD 4.02Å; M314-S328 CarbonylContact C-O 3.43Å; M314-S328 WeakPolarHBondContact CA-O 3.49Å; M314-C329 HydrophobicContact CE-CB 4.07Å; M314-C329 VanDerWaalsContact CE-N 3.33Å; M314-C329 VanDerWaalsContact SD-CA 3.54Å; M314-C329 HydrophobicContact SD-CB 3.69Å; M314-H389 HydrophobicContact CE-CB 4.2Å
315R97.3Very high95.6Very high81 Ų8162 Ų6231%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-93.5149.3168.759.4159.2175.9-172.1-0.2111.5K327 S328 L330 I352R315-K327 CarbonylContact O-C 3.58Å; R315-K327 WeakPolarHBondContact O-CA 3.5Å; R315-K327 WeakPolarHBondContact O-CB 3.25Å; R315-S328 VanDerWaalsContact CG-O 3.32Å; R315-S328 WeakPolarHBondContact CG-O 3.48Å; R315-S328 WeakPolarHBondContact CG-OG 3.19Å; R315-S328 PolarHBondContact N-O 2.9Å; R315-S328 PolarHBondContact NE-OG 2.9Å; R315-S328 PolarHBondContact O-N 3.25Å; R315-L330 HydrophobicContact CB-CD1 4.32Å; R315-L330 HydrophobicContact CB-CD2 4.1Å; R315-L330 HydrophobicContact CB-CG 4.16Å; R315-L330 HydrophobicContact CG-CD2 3.72Å; R315-L330 HydrophobicContact CG-CG 4.05Å; R315-I352 HydrophobicContact CB-CG2 4.11Å
316N97.1Very high95.6Very high109 Ų10965.1 Ų65.158%0.58331%0.314SS*.EExtended strand (participates in β ladder)trans-63.5141.5167.5-172-12.5000109.7K326N316-K326 PolarHBondContact OD1-O 3.15Å
317T94.5Very high95.7Very high32 Ų3261 Ų6120%0.19630%0.3CS..  trans-136.1127.4172.1380000109.5N319 K326 S328T317-N319 PolarHBondContact O-N 3.3Å; T317-K326 PolarHBondContact N-O 3.32Å; T317-K326 WeakPolarHBondContact O-CB 3.28Å; T317-K326 PolarHBondContact OG1-O 3.29Å; T317-S328 WeakPolarHBondContact CG2-OG 3.48Å
318N92.4Very high95.8Very high112 Ų11254.1 Ų54.160%0.59928%0.275SS*.  trans-61138.1177.2-169.317.2000111.2H320N318-H320 PolarHBondContact ND2-CD2 2.59Å; N318-H320 PolarHBondContact ND2-CE1 2.97Å; N318-H320 VanDerWaalsContact ND2-CE1 3.27Å; N318-H320 PolarHBondContact ND2-NE2 3.37Å; N318-H320 VanDerWaalsContact ND2-NE2 3.11Å; N318-H320 PolarHBondContact OD1-N 3.09Å
319N91.4Very high95.9Very high51 Ų5152 Ų5227%0.27327%0.265SS..  trans-127.51.6174.565.6-16.6000112.2T317 N321 V324 K326T317-N319 PolarHBondContact O-N 3.3Å; N319-N321 PolarHBondContact O-N 3.28Å; N319-N321 VanDerWaalsContact O-N 3.17Å; N319-N321 PolarHBondContact OD1-N 2.94Å; N319-N321 VanDerWaalsContact OD1-N 3.09Å; N319-N321 PolarHBondContact OD1-O 3.4Å; N319-V324 PolarHBondContact ND2-O 3.24Å; N319-V324 PolarHBondContact OD1-O 3.27Å; N319-K326 HydrophobicContact CB-CB 3.91Å; N319-K326 HydrophobicContact CB-CD 3.85Å
320H92.2Very high96Very high166 Ų16650.9 Ų50.977%0.76926%0.26SS*.SBendtrans59.814.7-175.4-57.9-101.6000115.5N318N318-H320 PolarHBondContact ND2-CD2 2.59Å; N318-H320 PolarHBondContact ND2-CE1 2.97Å; N318-H320 VanDerWaalsContact ND2-CE1 3.27Å; N318-H320 PolarHBondContact ND2-NE2 3.37Å; N318-H320 VanDerWaalsContact ND2-NE2 3.11Å; N318-H320 PolarHBondContact OD1-N 3.09Å
321N92.3Very high96Very high57 Ų5750.4 Ų50.431%0.30526%0.257SS..  trans-118.9106.1172.4180-14.4000110.1N319 Q323 V324N319-N321 PolarHBondContact O-N 3.28Å; N319-N321 VanDerWaalsContact O-N 3.17Å; N319-N321 PolarHBondContact OD1-N 2.94Å; N319-N321 VanDerWaalsContact OD1-N 3.09Å; N319-N321 PolarHBondContact OD1-O 3.4Å; N321-Q323 PolarHBondContact O-N 3.16Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.45Å; N321-Q323 PolarHBondContact OD1-N 3.06Å; N321-V324 PolarHBondContact O-N 2.81Å; N321-V324 VanDerWaalsContact O-O 3.09Å
322P92.6Very high96.1Very high132 Ų13250.4 Ų50.486%0.85726%0.257SS*.THydrogen-bonded Turntrans-69.1-15.4-176.528.9-35.2000114.4
323Q94.2Very high96Very high120 Ų12049.9 Ų49.956%0.56126%0.255SS*.THydrogen-bonded Turntrans-78.3-20.2174.8-59.8-170.63.100113.1N321 R392N321-Q323 PolarHBondContact O-N 3.16Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.45Å; N321-Q323 PolarHBondContact OD1-N 3.06Å; Q323-R392 WeakPolarHBondContact O-CG 3.31Å
324V96.6Very high96Very high6 Ų650.9 Ų50.94%0.03626%0.26CS..SBendtrans-118.6109.2-176.2179.90000109.4N319 N321 K326 F390 W391 R392N319-V324 PolarHBondContact ND2-O 3.24Å; N319-V324 PolarHBondContact OD1-O 3.27Å; N321-V324 PolarHBondContact O-N 2.81Å; N321-V324 VanDerWaalsContact O-O 3.09Å; V324-K326 PolarHBondContact O-N 3.47Å; V324-K326 VanDerWaalsContact O-N 3.16Å; V324-F390 HydrophobicContact CG1-CB 3.98Å; V324-F390 HydrophobicContact CG1-CD1 3.84Å; V324-F390 HydrophobicContact CG1-CG 4.41Å; V324-W391 CarbonylContact C-O 3.58Å; V324-W391 WeakPolarHBondContact CA-O 2.97Å; V324-R392 HydrophobicContact CG2-CB 4.46Å
325L97.1Very high96Very high47 Ų4750.2 Ų50.225%0.24626%0.257CS..EExtended strand (participates in β ladder)trans-77.5101.517217862.6000110.2H308 K327 W391H308-L325 HydrophobicContact CB-CD2 4.02Å; H308-L325 WeakPolarHBondContact ND1-CD2 3.43Å; L325-K327 HydrophobicContact CG-CG 4.35Å; L325-W391 HydrophobicContact CB-CB 4.34Å; L325-W391 PolarHBondContact N-O 2.71Å; L325-W391 PolarHBondContact O-N 3.32Å
326K97.8Very high96Very high65 Ų6548.8 Ų48.828%0.28326%0.259SS..EExtended strand (participates in β ladder)trans-81.6135172-171.3-176.1-175.7-177.30110.9N316 T317 N319 V324 T388 H389 F390N316-K326 PolarHBondContact OD1-O 3.15Å; T317-K326 PolarHBondContact N-O 3.32Å; T317-K326 WeakPolarHBondContact O-CB 3.28Å; T317-K326 PolarHBondContact OG1-O 3.29Å; N319-K326 HydrophobicContact CB-CB 3.91Å; N319-K326 HydrophobicContact CB-CD 3.85Å; V324-K326 PolarHBondContact O-N 3.47Å; V324-K326 VanDerWaalsContact O-N 3.16Å; K326-T388 HydrophobicContact CD-CG2 4.18Å; K326-T388 HydrophobicContact CG-CG2 3.6Å; K326-H389 CarbonylContact C-O 3.6Å; K326-F390 HydrophobicContact CB-CD1 4.12Å; K326-F390 HydrophobicContact CB-CE1 4.23Å; K326-F390 HydrophobicContact CD-CE1 3.8Å; K326-F390 HydrophobicContact CD-CZ 4.35Å; K326-F390 HydrophobicContact CG-CD1 3.96Å; K326-F390 HydrophobicContact CG-CE1 3.67Å; K326-F390 HydrophobicContact CG-CZ 4.29Å
327K98.2Very high95.9Very high34 Ų3449.8 Ų49.815%0.14826%0.262CS..EExtended strand (participates in β ladder)trans-132.9139.1172.5-61.3-173.5-179.4-176.10111H308 M314 R315 L325 T388 H389H308-K327 PolarHBondContact O-NZ 2.84Å; M314-K327 HydrophobicContact CB-CB 4.05Å; M314-K327 HydrophobicContact CB-CD 4.02Å; R315-K327 CarbonylContact O-C 3.58Å; R315-K327 WeakPolarHBondContact O-CA 3.5Å; R315-K327 WeakPolarHBondContact O-CB 3.25Å; L325-K327 HydrophobicContact CG-CG 4.35Å; K327-T388 CarbonylContact O-C 3.34Å; K327-T388 VanDerWaalsContact O-CA 3.27Å; K327-T388 WeakPolarHBondContact O-CA 3.28Å; K327-T388 WeakPolarHBondContact O-CG2 3.34Å; K327-H389 PolarHBondContact N-O 3.02Å; K327-H389 PolarHBondContact O-N 2.82Å
328S98Very high95.9Very high8 Ų854 Ų546%0.05628%0.284CS..EExtended strand (participates in β ladder)trans-109148.9172.256.50000111.9M314 R315 T317 V387M314-S328 CarbonylContact C-O 3.43Å; M314-S328 WeakPolarHBondContact CA-O 3.49Å; R315-S328 VanDerWaalsContact CG-O 3.32Å; R315-S328 WeakPolarHBondContact CG-O 3.48Å; R315-S328 WeakPolarHBondContact CG-OG 3.19Å; R315-S328 PolarHBondContact N-O 2.9Å; R315-S328 PolarHBondContact NE-OG 2.9Å; R315-S328 PolarHBondContact O-N 3.25Å; T317-S328 WeakPolarHBondContact CG2-OG 3.48Å; S328-V387 WeakPolarHBondContact CA-O 3.35Å
329C98.6Very high96Very high2 Ų249.6 Ų49.61%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-68143.7173.3-167.50000111.3M314 G331 C379 P386 V387 H406 H408M314-C329 HydrophobicContact CE-CB 4.07Å; M314-C329 VanDerWaalsContact CE-N 3.33Å; M314-C329 VanDerWaalsContact SD-CA 3.54Å; M314-C329 HydrophobicContact SD-CB 3.69Å; C329-G331 PolarHBondContact SG-N 3.19Å; C329-C379 HydrophobicContact CB-CB 3.77Å; C329-P386 HydrophobicContact CB-CB 4.48Å; C329-P386 WeakPolarHBondContact O-CB 3.45Å; C329-V387 HydrophobicContact CB-CB 4.41Å; C329-V387 PolarHBondContact N-O 3.43Å; C329-H406 VanDerWaalsContact SG-CE1 3.52Å; C329-H408 PolarHBondContact SG-NE2 3.1Å
330L98.1Very high96.1Very high9 Ų952.6 Ų52.65%0.04728%0.275CS..  trans-89.3-15.7170.7-68.7171.7000113.4A313 R315 P350 I352A313-L330 HydrophobicContact CB-CB 4.19Å; A313-L330 VanDerWaalsContact O-CB 3.28Å; A313-L330 WeakPolarHBondContact O-CB 3.46Å; A313-L330 VanDerWaalsContact O-CG 3.25Å; A313-L330 WeakPolarHBondContact O-CG 3.43Å; A313-L330 PolarHBondContact O-N 3.12Å; R315-L330 HydrophobicContact CB-CD1 4.32Å; R315-L330 HydrophobicContact CB-CD2 4.1Å; R315-L330 HydrophobicContact CB-CG 4.16Å; R315-L330 HydrophobicContact CG-CD2 3.72Å; R315-L330 HydrophobicContact CG-CG 4.05Å; L330-P350 HydrophobicContact CB-CB 4.18Å; L330-P350 HydrophobicContact CB-CG 4.33Å; L330-P350 HydrophobicContact CD1-CB 4.34Å; L330-I352 HydrophobicContact CD1-CD1 3.8Å
331G97.9Very high96Very high0 Ų047.5 Ų47.50%026%0.255CS..  trans86.7-144.5-166.500000113C329 P350 R377C329-G331 PolarHBondContact SG-N 3.19Å; G331-P350 WeakPolarHBondContact O-CG 3.28Å; G331-R377 CarbonylContact C-O 3.01Å; G331-R377 WeakPolarHBondContact CA-O 3.26Å
332V97.9Very high95.8Very high0 Ų054 Ų540%028%0.284CS..EExtended strand (participates in β ladder)trans-140.6149-17458.70000110.8E334 R377 H408 P411V332-E334 HydrophobicContact CG1-CG 3.97Å; V332-E334 HydrophobicContact CG2-CG 4.39Å; V332-R377 HydrophobicContact CG1-CB 4.05Å; V332-R377 HydrophobicContact CG1-CG 4.41Å; V332-R377 PolarHBondContact N-O 3.49Å; V332-R377 PolarHBondContact O-N 3.01Å; V332-H408 HydrophobicContact CG1-CB 3.81Å; V332-P411 HydrophobicContact CB-CB 4.35Å; V332-P411 HydrophobicContact CG2-CB 4.04Å
333L97.4Very high95.8Very high1 Ų150.8 Ų50.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-90.1114.2170.1-76.5168000109L348 P350 Q360 I375 L376L333-L348 HydrophobicContact CB-CB 3.89Å; L333-L348 WeakPolarHBondContact CB-O 3.4Å; L333-L348 PolarHBondContact N-O 3.26Å; L333-L348 PolarHBondContact O-N 3.41Å; L333-P350 HydrophobicContact CG-CB 4.35Å; L333-P350 HydrophobicContact CG-CG 4.21Å; L333-Q360 HydrophobicContact CD1-CB 3.87Å; L333-I375 CarbonylContact C-O 3.51Å; L333-I375 WeakPolarHBondContact CA-O 3.35Å; L333-L376 HydrophobicContact CD2-CB 4.09Å; L333-L376 HydrophobicContact CD2-CD1 4.12Å; L333-L376 HydrophobicContact CG-CD1 4.29Å
334E96.7Very high95.7Very high20 Ų2052.5 Ų52.59%0.09328%0.28CS..EExtended strand (participates in β ladder)trans-109164.7178.4-70.9174.8167.900110.4V332 L346 L374 I375 R377 N409V332-E334 HydrophobicContact CG1-CG 3.97Å; V332-E334 HydrophobicContact CG2-CG 4.39Å; E334-L346 WeakPolarHBondContact CA-O 3.44Å; E334-L374 WeakPolarHBondContact O-CA 3.18Å; E334-I375 PolarHBondContact N-O 3.06Å; E334-I375 WeakPolarHBondContact O-CG1 3.36Å; E334-I375 PolarHBondContact O-N 3.1Å; E334-R377 WeakPolarHBondContact OE1-CD 3.39Å; E334-R377 IonicContact OE1-NH1 3.48Å; E334-R377 PolarHBondContact OE1-NH1 3.36Å; E334-R377 WeakPolarHBondContact OE2-CD 3.31Å; E334-R377 IonicContact OE2-NH1 2.88Å; E334-R377 PolarHBondContact OE2-NH1 3.24Å; E334-N409 PolarHBondContact OE1-ND2 3.31Å
335C97.3Very high95.5Very high3 Ų354.5 Ų54.52%0.0229%0.293CS..EExtended strand (participates in β ladder)trans-85.4135.2173.7-177.90000111M337 N338 C339 L346 C365 C370C335-M337 PolarHBondContact O-N 3.29Å; C335-M337 VanDerWaalsContact O-N 3.09Å; C335-M337 PolarHBondContact SG-N 2.95Å; C335-M337 VanDerWaalsContact SG-N 3.4Å; C335-N338 WeakPolarHBondContact O-CA 3.41Å; C335-N338 PolarHBondContact O-N 3.25Å; C335-C339 HydrophobicContact CB-CB 4.5Å; C335-C339 WeakPolarHBondContact CB-SG 3.34Å; C335-L346 HydrophobicContact CB-CB 4.46Å; C335-L346 HydrophobicContact CB-CD2 4.15Å; C335-C365 VanDerWaalsContact SG-SG 3.66Å; C335-C370 VanDerWaalsContact SG-SG 3.61Å
336S96.9Very high95.4Very high51 Ų5152.9 Ų52.936%0.35729%0.285SS..THydrogen-bonded Turntrans-64.3-10.1175.374.20000114.9R373S336-R373 WeakPolarHBondContact CB-O 3.45Å; S336-R373 PolarHBondContact N-O 3.02Å; S336-R373 PolarHBondContact OG-N 3.35Å
337M96Very high95.3Very high130 Ų13051 Ų5164%0.6428%0.279SS*.THydrogen-bonded Turntrans-11317173.8-59.8-61.3-59.600111.3C335 C339 G372C335-M337 PolarHBondContact O-N 3.29Å; C335-M337 VanDerWaalsContact O-N 3.09Å; C335-M337 PolarHBondContact SG-N 2.95Å; C335-M337 VanDerWaalsContact SG-N 3.4Å; M337-C339 PolarHBondContact O-N 2.8Å; M337-G372 VanDerWaalsContact CG-CA 3.46Å
338N94.6Very high95.3Very high121 Ų12151 Ų5165%0.64728%0.281SS*.  trans48.432.1176.9-65.972.4000114.8C335C335-N338 WeakPolarHBondContact O-CA 3.41Å; C335-N338 PolarHBondContact O-N 3.25Å
339C94.3Very high95.2Very high19 Ų1952.5 Ų52.513%0.12829%0.286CS..  trans-64.4141.6-172.868.20000112.9C335 M337 L346 C365 T367 C370C335-C339 HydrophobicContact CB-CB 4.5Å; C335-C339 WeakPolarHBondContact CB-SG 3.34Å; M337-C339 PolarHBondContact O-N 2.8Å; C339-L346 PolarHBondContact O-N 2.7Å; C339-L346 VanDerWaalsContact O-N 3.15Å; C339-C365 PolarHBondContact SG-SG 2.75Å; C339-T367 PolarHBondContact SG-OG1 3.19Å; C339-T367 VanDerWaalsContact SG-OG1 3.4Å; C339-C370 HydrophobicContact CB-CB 4.36Å; C339-C370 VanDerWaalsContact CB-SG 3.6Å
340M93.8Very high95.2Very high113 Ų11352.5 Ų52.556%0.55729%0.286SS*.EExtended strand (participates in β ladder)trans-93.1141.8180-56.3-63-91.300110.9G343 K344 P345M340-G343 VanDerWaalsContact CE-O 3.28Å; M340-G343 WeakPolarHBondContact CE-O 3.42Å; M340-K344 CarbonylContact C-O 3.44Å; M340-K344 WeakPolarHBondContact CA-O 3.31Å; M340-P345 HydrophobicContact SD-CB 4.14Å
341V90.2Very high95.1Very high60 Ų6053.3 Ų53.336%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-127.4122.9172.6179.40000106.7G343 K344 L346 T367V341-G343 PolarHBondContact O-N 3.31Å; V341-K344 PolarHBondContact N-O 3.12Å; V341-K344 PolarHBondContact O-N 3.28Å; V341-K344 VanDerWaalsContact O-O 3.09Å; V341-L346 HydrophobicContact CG2-CB 4.4Å; V341-L346 HydrophobicContact CG2-CD1 4.08Å; V341-T367 HydrophobicContact CG2-CG2 4.03Å; V341-T367 VanDerWaalsContact CG2-OG1 3.3Å; V341-T367 WeakPolarHBondContact CG2-OG1 2.78Å
342Q88.7Confident95.1Very high194 Ų19457.2 Ų57.291%0.90731%0.314SS*.THydrogen-bonded Turntrans49.741.6-176-62.1175.2-29.500113.2K344Q342-K344 VanDerWaalsContact C-N 3.27Å; Q342-K344 PolarHBondContact O-N 3.03Å
343G91.3Very high95Very high64 Ų6461 Ų6166%0.6634%0.339SS*.THydrogen-bonded Turntrans72.97.5-179.400000115.9M340 V341M340-G343 VanDerWaalsContact CE-O 3.28Å; M340-G343 WeakPolarHBondContact CE-O 3.42Å; V341-G343 PolarHBondContact O-N 3.31Å
344K92.2Very high94.9Very high155 Ų15564.5 Ų64.567%0.67436%0.358SS*.EExtended strand (participates in β ladder)trans-123.2150-180-66175.4-176.8172.80111.2M340 V341 Q342M340-K344 CarbonylContact C-O 3.44Å; M340-K344 WeakPolarHBondContact CA-O 3.31Å; V341-K344 PolarHBondContact N-O 3.12Å; V341-K344 PolarHBondContact O-N 3.28Å; V341-K344 VanDerWaalsContact O-O 3.09Å; Q342-K344 VanDerWaalsContact C-N 3.27Å; Q342-K344 PolarHBondContact O-N 3.03Å
345P93.5Very high94.9Very high48 Ų4871.4 Ų71.431%0.31239%0.387SS..EExtended strand (participates in β ladder)trans-65137.317827.1-34.6000110.9M340 S347M340-P345 HydrophobicContact SD-CB 4.14Å; P345-S347 PolarHBondContact O-N 2.81Å; P345-S347 PolarHBondContact O-OG 3.38Å
346L95.1Very high94.9Very high14 Ų1473.2 Ų73.27%0.07340%0.403CS..  trans-56.1111177.617969.2000110.6E334 C335 C339 V341 L348 C365 I366 L374E334-L346 WeakPolarHBondContact CA-O 3.44Å; C335-L346 HydrophobicContact CB-CB 4.46Å; C335-L346 HydrophobicContact CB-CD2 4.15Å; C339-L346 PolarHBondContact O-N 2.7Å; C339-L346 VanDerWaalsContact O-N 3.15Å; V341-L346 HydrophobicContact CG2-CB 4.4Å; V341-L346 HydrophobicContact CG2-CD1 4.08Å; L346-L348 HydrophobicContact CD1-CD1 4.22Å; L346-L348 HydrophobicContact CD1-CD2 4.07Å; L346-L348 HydrophobicContact CD1-CG 3.87Å; L346-L348 HydrophobicContact CD2-CD1 4.2Å; L346-L348 HydrophobicContact CD2-CG 4.5Å; L346-L348 HydrophobicContact CG-CD1 4.3Å; L346-L348 HydrophobicContact CG-CG 4.07Å; L346-C365 VanDerWaalsContact CD2-SG 3.52Å; L346-I366 HydrophobicContact CD1-CD1 4.24Å; L346-I366 HydrophobicContact CD1-CG1 4.09Å; L346-I366 HydrophobicContact CD2-CG1 4.29Å; L346-L374 HydrophobicContact CD2-CD2 3.85Å
347S95.8Very high94.9Very high24 Ų2472.1 Ų72.117%0.16839%0.39CS..  trans-124.479.5-170.9-61.50000110.9P345 N409 P411 S412P345-S347 PolarHBondContact O-N 2.81Å; P345-S347 PolarHBondContact O-OG 3.38Å; S347-N409 VanDerWaalsContact OG-CB 3.31Å; S347-N409 WeakPolarHBondContact OG-CB 3.4Å; S347-P411 CarbonylContact O-C 3.56Å; S347-S412 PolarHBondContact O-N 2.93Å
348L96.3Very high94.9Very high35 Ų3574.3 Ų74.318%0.18340%0.397CS..BIsolated β-bridgetrans-89.1148.8-174.2-66.9177.4000113L333 L346 P350 I366 L374L333-L348 HydrophobicContact CB-CB 3.89Å; L333-L348 WeakPolarHBondContact CB-O 3.4Å; L333-L348 PolarHBondContact N-O 3.26Å; L333-L348 PolarHBondContact O-N 3.41Å; L346-L348 HydrophobicContact CD1-CD1 4.22Å; L346-L348 HydrophobicContact CD1-CD2 4.07Å; L346-L348 HydrophobicContact CD1-CG 3.87Å; L346-L348 HydrophobicContact CD2-CD1 4.2Å; L346-L348 HydrophobicContact CD2-CG 4.5Å; L346-L348 HydrophobicContact CG-CD1 4.3Å; L346-L348 HydrophobicContact CG-CG 4.07Å; L348-P350 VanDerWaalsContact O-CD 3.3Å; L348-P350 WeakPolarHBondContact O-CD 3.37Å; L348-I366 HydrophobicContact CD1-CD1 3.86Å; L348-I366 HydrophobicContact CD1-CG1 4.11Å; L348-I366 HydrophobicContact CD1-CG2 4.46Å; L348-I366 HydrophobicContact CD2-CD1 3.84Å; L348-I366 HydrophobicContact CG-CD1 4.41Å; L348-L374 HydrophobicContact CD1-CD1 3.95Å; L348-L374 HydrophobicContact CD1-CD2 3.92Å
349R97.5Very high94.9Very high40 Ų4075.2 Ų75.215%0.15140%0.395CS..PPolyproline II helixtrans-71.9119.9177.2-157.4179.1-162.8792.6113.4S310 G311 W312 A313 Q360 P411 S412S310-R349 PolarHBondContact O-NH2 2.71Å; S310-R349 VanDerWaalsContact O-NH2 3.14Å; G311-R349 VanDerWaalsContact O-CZ 3.25Å; G311-R349 PolarHBondContact O-NH1 2.84Å; G311-R349 PolarHBondContact O-NH2 3.04Å; W312-R349 PolarHBondContact O-NH2 3.15Å; A313-R349 HydrophobicContact CB-CG 4.36Å; R349-Q360 PolarHBondContact O-NE2 3.21Å; R349-P411 HydrophobicContact CB-CB 4.43Å; R349-P411 HydrophobicContact CG-CB 4.41Å; R349-S412 WeakPolarHBondContact CB-O 3.33Å; R349-S412 WeakPolarHBondContact CD-O 3.44Å; R349-S412 PolarHBondContact N-OG 2.96Å; R349-S412 VanDerWaalsContact N-OG 3.12Å; R349-S412 PolarHBondContact NH1-O 2.82Å
350P97.5Very high94.9Very high2 Ų277 Ų771%0.01340%0.401CS..PPolyproline II helixtrans-66140.1168.7-14.728.3000111.5A313 L330 G331 L333 L348 R357 L376A313-P350 HydrophobicContact CB-CG 4.26Å; L330-P350 HydrophobicContact CB-CB 4.18Å; L330-P350 HydrophobicContact CB-CG 4.33Å; L330-P350 HydrophobicContact CD1-CB 4.34Å; G331-P350 WeakPolarHBondContact O-CG 3.28Å; L333-P350 HydrophobicContact CG-CB 4.35Å; L333-P350 HydrophobicContact CG-CG 4.21Å; L348-P350 VanDerWaalsContact O-CD 3.3Å; L348-P350 WeakPolarHBondContact O-CD 3.37Å; P350-R357 HydrophobicContact CB-CG 4.19Å; P350-L376 HydrophobicContact CB-CD1 3.83Å; P350-L376 HydrophobicContact CG-CD1 3.59Å
351A96.9Very high95Very high25 Ų2573 Ų7321%0.20738%0.384CS..PPolyproline II helixtrans-69.8140.6175.300000111.7C353 A356 R357A351-C353 PolarHBondContact O-N 2.78Å; A351-A356 HydrophobicContact CB-CB 3.81Å; A351-R357 HydrophobicContact CB-CB 4.37Å; A351-R357 WeakPolarHBondContact O-CB 3.43Å; A351-R357 WeakPolarHBondContact O-CD 3.37Å; A351-R357 PolarHBondContact O-NH1 3.44Å
352I96.3Very high95.1Very high83 Ų8375.8 Ų75.843%0.42640%0.397SS..SBendtrans-68.9-36.2-177.8-50.4-51.4000111.7R315 L330 R357R315-I352 HydrophobicContact CB-CG2 4.11Å; L330-I352 HydrophobicContact CD1-CD1 3.8Å; I352-R357 PolarHBondContact O-NH1 2.76Å
353C96.7Very high95.4Very high78 Ų7873.7 Ų73.753%0.52738%0.381SS..SBendtrans-76.5123.5174.9178.20000111.1A351 K355 A356 R357A351-C353 PolarHBondContact O-N 2.78Å; C353-K355 VanDerWaalsContact C-N 3.3Å; C353-K355 PolarHBondContact O-N 3.23Å; C353-A356 HydrophobicContact CB-CB 4.1Å; C353-A356 CarbonylContact O-C 3.56Å; C353-A356 WeakPolarHBondContact O-CA 3.48Å; C353-A356 WeakPolarHBondContact O-CB 3.42Å; C353-A356 PolarHBondContact O-N 3.07Å; C353-R357 PolarHBondContact O-N 2.8Å
354D95.5Very high95.7Very high76 Ų7678.1 Ų78.141%0.40638%0.384SS..Hα-helixtrans-57.2-38-178.5-69.86.4000113.5A356 R357 K358D354-A356 VanDerWaalsContact C-N 3.29Å; D354-A356 PolarHBondContact O-N 2.88Å; D354-R357 VanDerWaalsContact CG-NH2 3.28Å; D354-R357 PolarHBondContact O-N 3.13Å; D354-R357 IonicContact OD1-CZ 2.78Å; D354-R357 IonicContact OD1-NH1 3.38Å; D354-R357 PolarHBondContact OD1-NH1 2.84Å; D354-R357 IonicContact OD1-NH2 2.99Å; D354-R357 PolarHBondContact OD1-NH2 3.35Å; D354-R357 IonicContact OD2-NH2 3.37Å; D354-K358 WeakPolarHBondContact O-CB 3.34Å; D354-K358 WeakPolarHBondContact O-CG 3.45Å; D354-K358 PolarHBondContact O-N 2.8Å
355K96.1Very high95.9Very high165 Ų16571.4 Ų71.472%0.71736%0.357SS*.Hα-helixtrans-68.3-27.1176-168.7170.9-175.8173.10112.7C353 K359C353-K355 VanDerWaalsContact C-N 3.3Å; C353-K355 PolarHBondContact O-N 3.23Å; K355-K359 WeakPolarHBondContact O-CG 3.47Å
356A97.2Very high95.9Very high41 Ų4174.5 Ų74.534%0.33937%0.369SS..Hα-helixtrans-82.2-40.4173.200000111.5A351 C353 D354 K359 Q360A351-A356 HydrophobicContact CB-CB 3.81Å; C353-A356 HydrophobicContact CB-CB 4.1Å; C353-A356 CarbonylContact O-C 3.56Å; C353-A356 WeakPolarHBondContact O-CA 3.48Å; C353-A356 WeakPolarHBondContact O-CB 3.42Å; C353-A356 PolarHBondContact O-N 3.07Å; D354-A356 VanDerWaalsContact C-N 3.29Å; D354-A356 PolarHBondContact O-N 2.88Å; A356-K359 CarbonylContact O-C 3.41Å; A356-K359 WeakPolarHBondContact O-CA 3.02Å; A356-K359 WeakPolarHBondContact O-CB 3.16Å; A356-K359 PolarHBondContact O-N 3.04Å; A356-Q360 PolarHBondContact O-N 2.73Å; A356-Q360 VanDerWaalsContact O-N 3.08Å
357R97.2Very high95.9Very high27 Ų2775 Ų7510%0.10237%0.373CS..Hα-helixtrans-64.3-44.5177.9-165.2168.362.1-94.4-0.8111.8P350 A351 I352 C353 D354 K359 Q360 C361 L376P350-R357 HydrophobicContact CB-CG 4.19Å; A351-R357 HydrophobicContact CB-CB 4.37Å; A351-R357 WeakPolarHBondContact O-CB 3.43Å; A351-R357 WeakPolarHBondContact O-CD 3.37Å; A351-R357 PolarHBondContact O-NH1 3.44Å; I352-R357 PolarHBondContact O-NH1 2.76Å; C353-R357 PolarHBondContact O-N 2.8Å; D354-R357 VanDerWaalsContact CG-NH2 3.28Å; D354-R357 PolarHBondContact O-N 3.13Å; D354-R357 IonicContact OD1-CZ 2.78Å; D354-R357 IonicContact OD1-NH1 3.38Å; D354-R357 PolarHBondContact OD1-NH1 2.84Å; D354-R357 IonicContact OD1-NH2 2.99Å; D354-R357 PolarHBondContact OD1-NH2 3.35Å; D354-R357 IonicContact OD2-NH2 3.37Å; R357-K359 PolarHBondContact O-N 3.35Å; R357-K359 VanDerWaalsContact O-N 3.13Å; R357-Q360 PolarHBondContact O-N 3.2Å; R357-C361 PolarHBondContact O-N 3.22Å; R357-C361 PolarHBondContact O-SG 3.29Å; R357-L376 HydrophobicContact CG-CD2 4.48Å
358K95.7Very high95.7Very high177 Ų17779.8 Ų79.877%0.7740%0.404SS*.Hα-helixtrans-56.5-25.3170.3-75.1-175.2177.7-170.80113.4D354D354-K358 WeakPolarHBondContact O-CB 3.34Å; D354-K358 WeakPolarHBondContact O-CG 3.45Å; D354-K358 PolarHBondContact O-N 2.8Å
359K95.6Very high95.6Very high140 Ų14082 Ų8261%0.60944%0.435SS*.Hα-helixtrans-88.3-13.5174-77.9-171.8172.5-161.30114.2K355 A356 R357 R363K355-K359 WeakPolarHBondContact O-CG 3.47Å; A356-K359 CarbonylContact O-C 3.41Å; A356-K359 WeakPolarHBondContact O-CA 3.02Å; A356-K359 WeakPolarHBondContact O-CB 3.16Å; A356-K359 PolarHBondContact O-N 3.04Å; R357-K359 PolarHBondContact O-N 3.35Å; R357-K359 VanDerWaalsContact O-N 3.13Å; K359-R363 PolarHBondContact O-NE 3.37Å
360Q94.7Very high95.5Very high56 Ų5681.5 Ų81.526%0.26244%0.437SS..Hα-helixtrans-91-41.6173.9-72.5176.1-55.800111.7L333 R349 A356 R357 R363L333-Q360 HydrophobicContact CD1-CB 3.87Å; R349-Q360 PolarHBondContact O-NE2 3.21Å; A356-Q360 PolarHBondContact O-N 2.73Å; A356-Q360 VanDerWaalsContact O-N 3.08Å; R357-Q360 PolarHBondContact O-N 3.2Å; Q360-R363 WeakPolarHBondContact O-CB 3.3Å; Q360-R363 WeakPolarHBondContact O-CG 3.45Å; Q360-R363 PolarHBondContact O-N 3.41Å
361C94.4Very high95.4Very high30 Ų3091.5 Ų91.520%0.20348%0.481CS..THydrogen-bonded Turntrans-57148.5172.6-56.20000110.4R357 R363 L374R357-C361 PolarHBondContact O-N 3.22Å; R357-C361 PolarHBondContact O-SG 3.29Å; C361-R363 PolarHBondContact O-N 3.12Å; C361-L374 CarbonylContact C-O 3.22Å; C361-L374 WeakPolarHBondContact CA-O 3.46Å
362N93.2Very high95.3Very high117 Ų11790.4 Ų90.463%0.62647%0.472SS*.THydrogen-bonded Turntrans61.15.6179.8-58.6-6.6000115.7L374N362-L374 PolarHBondContact N-O 2.85Å
363R95.2Very high95.4Very high151 Ų15193.4 Ų93.457%0.5748%0.478SS*.PPolyproline II helixtrans-63.7158.3161.6-71.4-170.6179.1-141.2-9.2110.5K359 Q360 C361 R373 L374K359-R363 PolarHBondContact O-NE 3.37Å; Q360-R363 WeakPolarHBondContact O-CB 3.3Å; Q360-R363 WeakPolarHBondContact O-CG 3.45Å; Q360-R363 PolarHBondContact O-N 3.41Å; C361-R363 PolarHBondContact O-N 3.12Å; R363-R373 CarbonylContact O-C 3.54Å; R363-R373 WeakPolarHBondContact O-CA 3.13Å; R363-R373 WeakPolarHBondContact O-CB 3.49Å; R363-L374 HydrophobicContact CB-CD1 4.32Å; R363-L374 PolarHBondContact O-N 3.22Å
364E96.3Very high95.4Very high156 Ų15690.1 Ų90.173%0.72946%0.455SS*.BIsolated β-bridgetrans-60153167.4-65.9170172.400111.4
365C96.4Very high95.5Very high15 Ų1590 Ų9010%0.10145%0.453CS..PPolyproline II helixtrans-64.1140.1176-171.70000111C335 C339 L346 T367 C370 G372C335-C365 VanDerWaalsContact SG-SG 3.66Å; C339-C365 PolarHBondContact SG-SG 2.75Å; L346-C365 VanDerWaalsContact CD2-SG 3.52Å; C365-T367 VanDerWaalsContact C-N 3.27Å; C365-T367 PolarHBondContact O-N 3.42Å; C365-T367 PolarHBondContact SG-N 3.31Å; C365-C370 HydrophobicContact CB-CB 3.98Å; C365-G372 WeakPolarHBondContact CB-O 3.31Å; C365-G372 PolarHBondContact N-O 2.96Å
366I94.4Very high95.5Very high112 Ų11284.3 Ų84.357%0.57443%0.431SS*.SBendtrans-79.1-10.5177.370167.5000113.4L346 L348 P368L346-I366 HydrophobicContact CD1-CD1 4.24Å; L346-I366 HydrophobicContact CD1-CG1 4.09Å; L346-I366 HydrophobicContact CD2-CG1 4.29Å; L348-I366 HydrophobicContact CD1-CD1 3.86Å; L348-I366 HydrophobicContact CD1-CG1 4.11Å; L348-I366 HydrophobicContact CD1-CG2 4.46Å; L348-I366 HydrophobicContact CD2-CD1 3.84Å; L348-I366 HydrophobicContact CG-CD1 4.41Å; I366-P368 WeakPolarHBondContact O-CD 3.29Å
367T94.4Very high95.5Very high24 Ų2487.5 Ų87.515%0.14743%0.434CS..SBendtrans-75.8121.2-179.8-55.10000109.6C339 V341 C365 G369 C370C339-T367 PolarHBondContact SG-OG1 3.19Å; C339-T367 VanDerWaalsContact SG-OG1 3.4Å; V341-T367 HydrophobicContact CG2-CG2 4.03Å; V341-T367 VanDerWaalsContact CG2-OG1 3.3Å; V341-T367 WeakPolarHBondContact CG2-OG1 2.78Å; C365-T367 VanDerWaalsContact C-N 3.27Å; C365-T367 PolarHBondContact O-N 3.42Å; C365-T367 PolarHBondContact SG-N 3.31Å; T367-G369 PolarHBondContact O-N 3.37Å; T367-C370 HydrophobicContact CG2-CB 4.37Å; T367-C370 WeakPolarHBondContact O-CB 3.46Å; T367-C370 PolarHBondContact O-N 3.2Å
368P93Very high95.6Very high126 Ų12690.5 Ų90.582%0.81845%0.452SS*.THydrogen-bonded Turntrans-52.2137-179.7-28.836.3000112.9I366 C370I366-P368 WeakPolarHBondContact O-CD 3.29Å; P368-C370 PolarHBondContact O-N 3.09Å
369G92.7Very high95.7Very high82 Ų8282.1 Ų82.185%0.84542%0.416SS*.THydrogen-bonded Turntrans74.7-11.1-176.800000115.8T367 K371T367-G369 PolarHBondContact O-N 3.37Å; G369-K371 PolarHBondContact O-N 3.5Å
370C95.4Very high95.8Very high29 Ų2983.4 Ų83.420%0.19642%0.417CS..  trans-81.2111.9-178.6-1720000112.2C335 C339 C365 T367 P368 G372C335-C370 VanDerWaalsContact SG-SG 3.61Å; C339-C370 HydrophobicContact CB-CB 4.36Å; C339-C370 VanDerWaalsContact CB-SG 3.6Å; C365-C370 HydrophobicContact CB-CB 3.98Å; T367-C370 HydrophobicContact CG2-CB 4.37Å; T367-C370 WeakPolarHBondContact O-CB 3.46Å; T367-C370 PolarHBondContact O-N 3.2Å; P368-C370 PolarHBondContact O-N 3.09Å; C370-G372 PolarHBondContact O-N 3.17Å; C370-G372 VanDerWaalsContact O-N 3.14Å
371K95.7Very high96Very high211 Ų21182.1 Ų82.192%0.91742%0.418SS*.  trans-75.49.5175.4-59.1-176.1-179.21800114.6G369G369-K371 PolarHBondContact O-N 3.5Å
372G95.8Very high96.1Very high2 Ų283.3 Ų83.32%0.02142%0.421CS..  trans-77.5174.8-179.500000113.8M337 C365 C370M337-G372 VanDerWaalsContact CG-CA 3.46Å; C365-G372 WeakPolarHBondContact CB-O 3.31Å; C365-G372 PolarHBondContact N-O 2.96Å; C370-G372 PolarHBondContact O-N 3.17Å; C370-G372 VanDerWaalsContact O-N 3.14Å
373R96.8Very high96.2Very high147 Ų14783.1 Ų83.156%0.55543%0.428SS*.BIsolated β-bridgetrans-124.1153.4176-64.2-174.9-178-173-0.4111.8S336 R363 I375S336-R373 WeakPolarHBondContact CB-O 3.45Å; S336-R373 PolarHBondContact N-O 3.02Å; S336-R373 PolarHBondContact OG-N 3.35Å; R363-R373 CarbonylContact O-C 3.54Å; R363-R373 WeakPolarHBondContact O-CA 3.13Å; R363-R373 WeakPolarHBondContact O-CB 3.49Å; R373-I375 PolarHBondContact O-N 3.16Å
374L97.4Very high96.3Very high9 Ų978.3 Ų78.35%0.04743%0.426CS..EExtended strand (participates in β ladder)trans-76.7110.6178-59.2-175.6000110.7E334 L346 L348 C361 N362 R363E334-L374 WeakPolarHBondContact O-CA 3.18Å; L346-L374 HydrophobicContact CD2-CD2 3.85Å; L348-L374 HydrophobicContact CD1-CD1 3.95Å; L348-L374 HydrophobicContact CD1-CD2 3.92Å; C361-L374 CarbonylContact C-O 3.22Å; C361-L374 WeakPolarHBondContact CA-O 3.46Å; N362-L374 PolarHBondContact N-O 2.85Å; R363-L374 HydrophobicContact CB-CD1 4.32Å; R363-L374 PolarHBondContact O-N 3.22Å
375I97.3Very high96.3Very high72 Ų7279 Ų7937%0.36942%0.423SS..EExtended strand (participates in β ladder)trans-104145.4176.954.8168000110.3L333 E334 R373L333-I375 CarbonylContact C-O 3.51Å; L333-I375 WeakPolarHBondContact CA-O 3.35Å; E334-I375 PolarHBondContact N-O 3.06Å; E334-I375 WeakPolarHBondContact O-CG1 3.36Å; E334-I375 PolarHBondContact O-N 3.1Å; R373-I375 PolarHBondContact O-N 3.16Å
376L97.7Very high96.4Very high47 Ų4779.7 Ų79.725%0.24643%0.428CS..EExtended strand (participates in β ladder)trans-91.4108.9176.4-176.567.6000109.7L333 P350 R357 N378L333-L376 HydrophobicContact CD2-CB 4.09Å; L333-L376 HydrophobicContact CD2-CD1 4.12Å; L333-L376 HydrophobicContact CG-CD1 4.29Å; P350-L376 HydrophobicContact CB-CD1 3.83Å; P350-L376 HydrophobicContact CG-CD1 3.59Å; R357-L376 HydrophobicContact CG-CD2 4.48Å; L376-N378 WeakPolarHBondContact CD2-OD1 3.45Å; L376-N378 WeakPolarHBondContact CG-OD1 3.37Å; L376-N378 PolarHBondContact O-N 3.43Å
377R97.2Very high96.6Very high108 Ų10874.4 Ų74.441%0.40840%0.401SS..EExtended strand (participates in β ladder)trans-80.498.9163.8175.7174.3176.8164.32.3107.9G331 V332 E334 D407 H408G331-R377 CarbonylContact C-O 3.01Å; G331-R377 WeakPolarHBondContact CA-O 3.26Å; V332-R377 HydrophobicContact CG1-CB 4.05Å; V332-R377 HydrophobicContact CG1-CG 4.41Å; V332-R377 PolarHBondContact N-O 3.49Å; V332-R377 PolarHBondContact O-N 3.01Å; E334-R377 WeakPolarHBondContact OE1-CD 3.39Å; E334-R377 IonicContact OE1-NH1 3.48Å; E334-R377 PolarHBondContact OE1-NH1 3.36Å; E334-R377 WeakPolarHBondContact OE2-CD 3.31Å; E334-R377 IonicContact OE2-NH1 2.88Å; E334-R377 PolarHBondContact OE2-NH1 3.24Å; R377-D407 PolarHBondContact NE-O 2.75Å; R377-D407 PolarHBondContact NH2-O 2.79Å; R377-H408 HydrophobicContact CG-CB 4.18Å
378N98Very high96.8Very high89 Ų8973.9 Ų73.948%0.47640%0.398SS..  trans-61.7143.7173.3-74.139.4000110.9L376L376-N378 WeakPolarHBondContact CD2-OD1 3.45Å; L376-N378 WeakPolarHBondContact CG-OD1 3.37Å; L376-N378 PolarHBondContact O-N 3.43Å
379C98.4Very high97Very high2 Ų267.9 Ų67.91%0.01436%0.359CS..  trans-73.6138.2167.5179.90000111.1C329 P386 V387 D407C329-C379 HydrophobicContact CB-CB 3.77Å; C379-P386 HydrophobicContact CB-CB 4.21Å; C379-P386 VanDerWaalsContact O-CA 3.32Å; C379-P386 WeakPolarHBondContact O-CA 3.09Å; C379-P386 WeakPolarHBondContact O-CB 3.38Å; C379-P386 WeakPolarHBondContact O-CG 3.25Å; C379-V387 PolarHBondContact SG-N 3.5Å; C379-V387 VanDerWaalsContact SG-N 3.4Å; C379-D407 VanDerWaalsContact CA-OD1 3.31Å; C379-D407 WeakPolarHBondContact CA-OD1 3.33Å; C379-D407 PolarHBondContact SG-OD1 2.77Å
380R98.1Very high97.2Very high167 Ų16765 Ų6563%0.6332%0.323SS*.  trans-140.40.2-179.2-65-175.5172.7178.9-2.8114.7H382 G384 Y385 D407R380-H382 PolarHBondContact O-N 2.99Å; R380-G384 WeakPolarHBondContact CB-O 3.43Å; R380-G384 CarbonylContact O-C 3.54Å; R380-G384 VanDerWaalsContact O-C 3.22Å; R380-G384 WeakPolarHBondContact O-CA 3.27Å; R380-G384 PolarHBondContact O-N 3.03Å; R380-Y385 CarbonylContact C-O 3.59Å; R380-Y385 VanDerWaalsContact CA-O 3.27Å; R380-Y385 WeakPolarHBondContact CA-O 3.46Å; R380-Y385 PolarHBondContact O-N 3.46Å; R380-Y385 VanDerWaalsContact O-O 3.08Å; R380-D407 WeakPolarHBondContact CB-OD2 3.44Å; R380-D407 PolarHBondContact N-OD1 2.88Å; R380-D407 PolarHBondContact N-OD2 3.14Å
381G97.4Very high97.4Very high28 Ų2863.8 Ų63.829%0.28931%0.314SS..THydrogen-bonded Turntrans-73.820.7-174.200000117.1G404 E405 D407G381-G404 WeakPolarHBondContact O-CA 3.39Å; G381-E405 CarbonylContact C-O 3.59Å; G381-E405 WeakPolarHBondContact CA-O 3.46Å; G381-E405 PolarHBondContact O-N 3.02Å; G381-D407 VanDerWaalsContact N-CG 3.27Å; G381-D407 PolarHBondContact N-OD1 2.94Å
382H96.8Very high97.4Very high55 Ų5554.4 Ų54.426%0.25527%0.273SS..BIsolated β-bridgetrans-112.378.1160.7-170.242.2000109.6H293 R380 G384 Y385 G404H293-H382 AromaticContact NE2-CE1 3.88Å; H293-H382 AromaticContact NE2-ND1 3.69Å; R380-H382 PolarHBondContact O-N 2.99Å; H382-G384 VanDerWaalsContact C-N 3.28Å; H382-G384 PolarHBondContact O-N 2.96Å; H382-Y385 WeakPolarHBondContact CA-O 3.32Å; H382-Y385 WeakPolarHBondContact CB-O 3.05Å; H382-Y385 PolarHBondContact N-O 3.47Å; H382-Y385 WeakPolarHBondContact O-CA 3.5Å; H382-Y385 WeakPolarHBondContact O-CB 3.22Å; H382-Y385 PolarHBondContact O-N 2.78Å; H382-G404 PolarHBondContact ND1-N 3.49Å
383S95.6Very high97.5Very high113 Ų11359.9 Ų59.979%0.7930%0.297SS*.THydrogen-bonded Turntrans5340.6-179.9-51.60000114Y385S383-Y385 VanDerWaalsContact C-N 3.34Å
384G96.6Very high97.4Very high51 Ų5153.8 Ų53.853%0.52628%0.278SS..THydrogen-bonded Turntrans91.7-17-175.600000114.5R380 H382R380-G384 WeakPolarHBondContact CB-O 3.43Å; R380-G384 CarbonylContact O-C 3.54Å; R380-G384 VanDerWaalsContact O-C 3.22Å; R380-G384 WeakPolarHBondContact O-CA 3.27Å; R380-G384 PolarHBondContact O-N 3.03Å; H382-G384 VanDerWaalsContact C-N 3.28Å; H382-G384 PolarHBondContact O-N 2.96Å
385Y97.4Very high97.2Very high169 Ų16957.2 Ų57.266%0.66330%0.296SS*.BIsolated β-bridgetrans-93.2158.7176.4-58.4-86.3000111.8R380 H382 S383R380-Y385 CarbonylContact C-O 3.59Å; R380-Y385 VanDerWaalsContact CA-O 3.27Å; R380-Y385 WeakPolarHBondContact CA-O 3.46Å; R380-Y385 PolarHBondContact O-N 3.46Å; R380-Y385 VanDerWaalsContact O-O 3.08Å; H382-Y385 WeakPolarHBondContact CA-O 3.32Å; H382-Y385 WeakPolarHBondContact CB-O 3.05Å; H382-Y385 PolarHBondContact N-O 3.47Å; H382-Y385 WeakPolarHBondContact O-CA 3.5Å; H382-Y385 WeakPolarHBondContact O-CB 3.22Å; H382-Y385 PolarHBondContact O-N 2.78Å; S383-Y385 VanDerWaalsContact C-N 3.34Å
386P98Very high97Very high31 Ų3155.5 Ų55.520%0.20130%0.296CS..PPolyproline II helixtrans-66.6139.9176.4-15.628.4000112C329 C379 T388C329-P386 HydrophobicContact CB-CB 4.48Å; C329-P386 WeakPolarHBondContact O-CB 3.45Å; C379-P386 HydrophobicContact CB-CB 4.21Å; C379-P386 VanDerWaalsContact O-CA 3.32Å; C379-P386 WeakPolarHBondContact O-CA 3.09Å; C379-P386 WeakPolarHBondContact O-CB 3.38Å; C379-P386 WeakPolarHBondContact O-CG 3.25Å; P386-T388 PolarHBondContact O-N 3.45Å; P386-T388 PolarHBondContact O-OG1 2.9Å
387V98.5Very high96.9Very high0 Ų053.3 Ų53.30%029%0.285CS..PPolyproline II helixtrans-48.7135.6172.2178.70000110.4S328 C329 C379 E405 H406S328-V387 WeakPolarHBondContact CA-O 3.35Å; C329-V387 HydrophobicContact CB-CB 4.41Å; C329-V387 PolarHBondContact N-O 3.43Å; C379-V387 PolarHBondContact SG-N 3.5Å; C379-V387 VanDerWaalsContact SG-N 3.4Å; V387-E405 WeakPolarHBondContact CG2-O 3.25Å; V387-H406 WeakPolarHBondContact CG1-NE2 3.3Å
388T98.1Very high96.9Very high14 Ų1448.3 Ų48.39%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-121.5130.3-173.6-66.20000110.4K326 K327 P386 F390 A402 K403K326-T388 HydrophobicContact CD-CG2 4.18Å; K326-T388 HydrophobicContact CG-CG2 3.6Å; K327-T388 CarbonylContact O-C 3.34Å; K327-T388 VanDerWaalsContact O-CA 3.27Å; K327-T388 WeakPolarHBondContact O-CA 3.28Å; K327-T388 WeakPolarHBondContact O-CG2 3.34Å; P386-T388 PolarHBondContact O-N 3.45Å; P386-T388 PolarHBondContact O-OG1 2.9Å; T388-F390 HydrophobicContact CG2-CD2 4.05Å; T388-F390 HydrophobicContact CG2-CE1 4.13Å; T388-F390 HydrophobicContact CG2-CE2 3.46Å; T388-F390 VanDerWaalsContact CG2-CE2 3.46Å; T388-F390 HydrophobicContact CG2-CZ 3.52Å; T388-A402 CarbonylContact O-C 3.5Å; T388-A402 WeakPolarHBondContact O-CA 3.43Å; T388-K403 PolarHBondContact N-O 3.16Å; T388-K403 PolarHBondContact O-N 2.84Å
389H98Very high96.9Very high0 Ų044.1 Ų44.10%024%0.244CC..EExtended strand (participates in β ladder)trans-101.2144.5167.3-61.1176.7000109.9S310 M314 K326 K327 F400 E401S310-H389 PolarHBondContact OG-CE1 2.85Å; M314-H389 HydrophobicContact CE-CB 4.2Å; K326-H389 CarbonylContact C-O 3.6Å; K327-H389 PolarHBondContact N-O 3.02Å; K327-H389 PolarHBondContact O-N 2.82Å; H389-F400 HydrophobicContact CB-CE2 3.78Å; H389-F400 HydrophobicContact CB-CZ 4.3Å; H389-F400 AromaticContact CG-CE2 3.63Å; H389-F400 AromaticContact CG-CZ 3.8Å; H389-F400 AromaticContact ND1-CE2 3.63Å; H389-F400 AromaticContact ND1-CZ 3.88Å; H389-E401 CarbonylContact C-O 3.58Å; H389-E401 WeakPolarHBondContact CA-O 3.45Å
390F98Very high96.9Very high22 Ų2244 Ų4410%0.09624%0.243CC..EExtended strand (participates in β ladder)trans-120.8141.3171-58-94.9000107.9I272 V324 K326 T388 F400 E401 K403I272-F390 HydrophobicContact CD1-CB 3.87Å; I272-F390 WeakPolarHBondContact CD1-O 3.39Å; I272-F390 HydrophobicContact CG2-CB 3.68Å; I272-F390 HydrophobicContact CG2-CG 4.11Å; V324-F390 HydrophobicContact CG1-CB 3.98Å; V324-F390 HydrophobicContact CG1-CD1 3.84Å; V324-F390 HydrophobicContact CG1-CG 4.41Å; K326-F390 HydrophobicContact CB-CD1 4.12Å; K326-F390 HydrophobicContact CB-CE1 4.23Å; K326-F390 HydrophobicContact CD-CE1 3.8Å; K326-F390 HydrophobicContact CD-CZ 4.35Å; K326-F390 HydrophobicContact CG-CD1 3.96Å; K326-F390 HydrophobicContact CG-CE1 3.67Å; K326-F390 HydrophobicContact CG-CZ 4.29Å; T388-F390 HydrophobicContact CG2-CD2 4.05Å; T388-F390 HydrophobicContact CG2-CE1 4.13Å; T388-F390 HydrophobicContact CG2-CE2 3.46Å; T388-F390 VanDerWaalsContact CG2-CE2 3.46Å; T388-F390 HydrophobicContact CG2-CZ 3.52Å; F390-F400 WeakPolarHBondContact O-CA 3.4Å; F390-E401 HydrophobicContact CB-CB 4.45Å; F390-E401 PolarHBondContact N-O 2.99Å; F390-E401 PolarHBondContact O-N 2.82Å; F390-K403 HydrophobicContact CD2-CG 4.47Å; F390-K403 HydrophobicContact CE2-CB 4.46Å; F390-K403 HydrophobicContact CE2-CD 3.88Å; F390-K403 HydrophobicContact CE2-CG 3.97Å
391W97.9Very high96.9Very high3 Ų336.2 Ų36.21%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-134.7137177.9-51.474.1000109.4Y298 H308 Q309 V324 L325 V398 Y399 F400Y298-W391 HydrophobicContact CD2-CZ3 4.26Å; Y298-W391 HydrophobicContact CE2-CH2 4.45Å; Y298-W391 AromaticContact CE2-CZ3 3.84Å; Y298-W391 HydrophobicContact CE2-CZ3 3.84Å; H308-W391 HydrophobicContact CB-CD2 3.85Å; H308-W391 HydrophobicContact CB-CE3 4.25Å; H308-W391 HydrophobicContact CB-CG 4.1Å; H308-W391 HydrophobicContact CB-CZ2 4.43Å; H308-W391 WeakPolarHBondContact CD2-CB 3.5Å; H308-W391 AromaticContact CD2-CD2 3.63Å; H308-W391 AromaticContact CD2-CE3 3.71Å; H308-W391 AromaticContact CD2-CG 3.52Å; Q309-W391 WeakPolarHBondContact O-CH2 3.41Å; Q309-W391 VanDerWaalsContact O-CZ2 3.31Å; Q309-W391 WeakPolarHBondContact O-CZ2 3.41Å; V324-W391 CarbonylContact C-O 3.58Å; V324-W391 WeakPolarHBondContact CA-O 2.97Å; L325-W391 HydrophobicContact CB-CB 4.34Å; L325-W391 PolarHBondContact N-O 2.71Å; L325-W391 PolarHBondContact O-N 3.32Å; W391-V398 HydrophobicContact CE3-CG1 4.05Å; W391-Y399 WeakPolarHBondContact CA-O 3.27Å; W391-F400 AromaticContact CD2-CD2 3.73Å; W391-F400 HydrophobicContact CD2-CD2 3.73Å; W391-F400 HydrophobicContact CD2-CE2 4.34Å; W391-F400 AromaticContact CE2-CD2 3.63Å; W391-F400 AromaticContact CE2-CE2 3.76Å; W391-F400 HydrophobicContact CE3-CB 4.42Å; W391-F400 AromaticContact CE3-CD2 3.75Å; W391-F400 HydrophobicContact CE3-CD2 3.75Å; W391-F400 HydrophobicContact CG-CD2 4.49Å; W391-F400 AromaticContact CH2-CD2 3.62Å; W391-F400 HydrophobicContact CH2-CD2 3.62Å; W391-F400 AromaticContact CH2-CE2 3.85Å; W391-F400 HydrophobicContact CH2-CE2 3.85Å; W391-F400 AromaticContact CZ2-CD2 3.6Å; W391-F400 HydrophobicContact CZ2-CD2 3.6Å; W391-F400 AromaticContact CZ2-CE2 3.51Å; W391-F400 HydrophobicContact CZ2-CE2 3.51Å; W391-F400 AromaticContact CZ3-CD2 3.7Å; W391-F400 HydrophobicContact CZ3-CD2 3.7Å; W391-F400 HydrophobicContact CZ3-CE2 4.4Å; W391-F400 HydrophobicContact CZ3-CG 4.45Å
392R97.3Very high96.9Very high14 Ų1434.9 Ų34.95%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-142.6131.9177.2178.7154173.4-141.55.3110.3I272 D274 L277 Q323 V324 Y399I272-R392 HydrophobicContact CD1-CB 4.15Å; I272-R392 HydrophobicContact CG1-CB 3.84Å; I272-R392 WeakPolarHBondContact O-CD 3.32Å; I272-R392 PolarHBondContact O-NH1 3.13Å; D274-R392 PolarHBondContact O-NH1 2.97Å; D274-R392 PolarHBondContact O-NH2 3.03Å; D274-R392 VanDerWaalsContact O-NH2 3.12Å; L277-R392 HydrophobicContact CD1-CB 4.46Å; L277-R392 HydrophobicContact CD1-CG 3.97Å; Q323-R392 WeakPolarHBondContact O-CG 3.31Å; V324-R392 HydrophobicContact CG2-CB 4.46Å; R392-Y399 PolarHBondContact N-O 3.07Å; R392-Y399 PolarHBondContact O-N 3.47Å
393F96Very high96.9Very high117 Ų11734.1 Ų34.151%0.51320%0.196SC..EExtended strand (participates in β ladder)trans-89.4126.3168.7-179.5-111.5000109.2Q300 A397 V398Q300-F393 HydrophobicContact CB-CE2 4.11Å; Q300-F393 HydrophobicContact CG-CE2 3.78Å; Q300-F393 HydrophobicContact CG-CZ 4.29Å; Q300-F393 VanDerWaalsContact NE2-CE2 3.34Å; Q300-F393 VanDerWaalsContact OE1-CE2 3.31Å; F393-A397 WeakPolarHBondContact CA-O 3.39Å; F393-A397 WeakPolarHBondContact CD2-O 3.36Å; F393-V398 HydrophobicContact CD2-CG2 4.29Å
394A95.3Very high96.9Very high19 Ų1928.8 Ų28.816%0.15716%0.158CC..EExtended strand (participates in β ladder)trans-157.3158.7176.400000109.3L277 G396 A397 Y399L277-A394 HydrophobicContact CD1-CB 3.99Å; A394-G396 PolarHBondContact O-N 2.91Å; A394-A397 PolarHBondContact N-O 3.49Å; A394-A397 VanDerWaalsContact N-O 3.09Å; A394-A397 PolarHBondContact O-N 2.76Å; A394-Y399 HydrophobicContact CB-CD2 4.09Å; A394-Y399 HydrophobicContact CB-CE2 3.85Å; A394-Y399 WeakPolarHBondContact O-CE2 3.41Å
395N94Very high97Very high80 Ų8032.3 Ų32.343%0.42816%0.161SC..THydrogen-bonded Turntrans5319.6168.5-53.3-17.8000116.8L277 P278 K279 Y399L277-N395 PolarHBondContact O-ND2 3.36Å; P278-N395 VanDerWaalsContact C-ND2 3.27Å; P278-N395 PolarHBondContact O-ND2 3.17Å; K279-N395 HydrophobicContact CB-CB 4.47Å; K279-N395 HydrophobicContact CG-CB 4.49Å; N395-Y399 PolarHBondContact ND2-OH 3.34Å
396G93Very high97Very high37 Ų3725.2 Ų25.238%0.38113%0.134SC..THydrogen-bonded Turntrans8019.9-172.100000115.1Q300 A394Q300-G396 WeakPolarHBondContact CB-O 3.47Å; A394-G396 PolarHBondContact O-N 2.91Å
397A96.3Very high96.9Very high1 Ų126.4 Ų26.41%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-142.3160.6-174.700000112.9Y283 V297 F393 A394 Y399Y283-A397 HydrophobicContact CD1-CB 4.48Å; Y283-A397 HydrophobicContact CE1-CB 3.74Å; V297-A397 HydrophobicContact CG1-CB 3.71Å; F393-A397 WeakPolarHBondContact CA-O 3.39Å; F393-A397 WeakPolarHBondContact CD2-O 3.36Å; A394-A397 PolarHBondContact N-O 3.49Å; A394-A397 VanDerWaalsContact N-O 3.09Å; A394-A397 PolarHBondContact O-N 2.76Å; A397-Y399 HydrophobicContact CB-CE2 3.84Å
398V97.2Very high96.9Very high2 Ų227 Ų271%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-108.5101.4175.9-176.60000109.6Y298 A305 R306 W391 F393Y298-V398 PolarHBondContact N-O 3.03Å; Y298-V398 PolarHBondContact O-N 3.13Å; A305-V398 HydrophobicContact CB-CB 4.1Å; A305-V398 HydrophobicContact CB-CG1 4.14Å; A305-V398 HydrophobicContact CB-CG2 4.36Å; R306-V398 HydrophobicContact CG-CG2 4.18Å; W391-V398 HydrophobicContact CE3-CG1 4.05Å; F393-V398 HydrophobicContact CD2-CG2 4.29Å
399Y97.6Very high96.8Very high1 Ų129.2 Ų29.20%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-75.8139.4175-60.8-101.7000109.4W270 L277 P278 V297 W391 R392 A394 N395 A397W270-Y399 HydrophobicContact CD2-CD1 4.4Å; W270-Y399 HydrophobicContact CE3-CD1 4.26Å; W270-Y399 AromaticContact CH2-CD1 3.97Å; W270-Y399 HydrophobicContact CH2-CD1 3.97Å; W270-Y399 HydrophobicContact CZ2-CD1 4.11Å; W270-Y399 HydrophobicContact CZ3-CD1 4.05Å; L277-Y399 HydrophobicContact CB-CD1 4.38Å; L277-Y399 HydrophobicContact CB-CE1 4.08Å; L277-Y399 HydrophobicContact CB-CE2 4.45Å; L277-Y399 HydrophobicContact CD1-CD1 4.07Å; L277-Y399 HydrophobicContact CD1-CD2 3.78Å; L277-Y399 HydrophobicContact CD1-CE2 4.28Å; L277-Y399 HydrophobicContact CD1-CG 3.73Å; L277-Y399 HydrophobicContact CD2-CD1 4.25Å; L277-Y399 HydrophobicContact CG-CD1 4.48Å; P278-Y399 PolarHBondContact O-OH 3.43Å; V297-Y399 HydrophobicContact CB-CD1 4.31Å; V297-Y399 HydrophobicContact CB-CE1 4.31Å; V297-Y399 HydrophobicContact CG1-CD1 3.85Å; V297-Y399 HydrophobicContact CG1-CD2 4.35Å; V297-Y399 HydrophobicContact CG1-CE1 3.61Å; V297-Y399 HydrophobicContact CG1-CE2 4.12Å; V297-Y399 HydrophobicContact CG1-CG 4.17Å; V297-Y399 HydrophobicContact CG2-CD1 3.53Å; V297-Y399 HydrophobicContact CG2-CE1 3.65Å; V297-Y399 HydrophobicContact CG2-CG 4.38Å; W391-Y399 WeakPolarHBondContact CA-O 3.27Å; R392-Y399 PolarHBondContact N-O 3.07Å; R392-Y399 PolarHBondContact O-N 3.47Å; A394-Y399 HydrophobicContact CB-CD2 4.09Å; A394-Y399 HydrophobicContact CB-CE2 3.85Å; A394-Y399 WeakPolarHBondContact O-CE2 3.41Å; N395-Y399 PolarHBondContact ND2-OH 3.34Å; A397-Y399 HydrophobicContact CB-CE2 3.84Å
400F97.8Very high96.7Very high0 Ų036.1 Ų36.10%018%0.179CC..EExtended strand (participates in β ladder)trans-133.9136.9-177.5172.1-92.6000110.3P290 R295 R296 Y298 H389 F390 W391 A402P290-F400 HydrophobicContact CB-CE1 3.67Å; P290-F400 HydrophobicContact CB-CZ 3.61Å; P290-F400 HydrophobicContact CG-CE1 4.11Å; P290-F400 HydrophobicContact CG-CE2 4.35Å; P290-F400 HydrophobicContact CG-CZ 3.53Å; R295-F400 CarbonylContact C-O 3.51Å; R295-F400 WeakPolarHBondContact CA-O 3.48Å; R296-F400 HydrophobicContact CB-CB 4.4Å; R296-F400 HydrophobicContact CB-CD1 4.23Å; R296-F400 PolarHBondContact N-O 3.38Å; R296-F400 PolarHBondContact O-N 3.22Å; Y298-F400 HydrophobicContact CD2-CB 4.19Å; Y298-F400 HydrophobicContact CE2-CB 3.54Å; Y298-F400 HydrophobicContact CE2-CD2 4.4Å; Y298-F400 AromaticContact CE2-CG 3.91Å; Y298-F400 HydrophobicContact CE2-CG 3.91Å; H389-F400 HydrophobicContact CB-CE2 3.78Å; H389-F400 HydrophobicContact CB-CZ 4.3Å; H389-F400 AromaticContact CG-CE2 3.63Å; H389-F400 AromaticContact CG-CZ 3.8Å; H389-F400 AromaticContact ND1-CE2 3.63Å; H389-F400 AromaticContact ND1-CZ 3.88Å; F390-F400 WeakPolarHBondContact O-CA 3.4Å; W391-F400 AromaticContact CD2-CD2 3.73Å; W391-F400 HydrophobicContact CD2-CD2 3.73Å; W391-F400 HydrophobicContact CD2-CE2 4.34Å; W391-F400 AromaticContact CE2-CD2 3.63Å; W391-F400 AromaticContact CE2-CE2 3.76Å; W391-F400 HydrophobicContact CE3-CB 4.42Å; W391-F400 AromaticContact CE3-CD2 3.75Å; W391-F400 HydrophobicContact CE3-CD2 3.75Å; W391-F400 HydrophobicContact CG-CD2 4.49Å; W391-F400 AromaticContact CH2-CD2 3.62Å; W391-F400 HydrophobicContact CH2-CD2 3.62Å; W391-F400 AromaticContact CH2-CE2 3.85Å; W391-F400 HydrophobicContact CH2-CE2 3.85Å; W391-F400 AromaticContact CZ2-CD2 3.6Å; W391-F400 HydrophobicContact CZ2-CD2 3.6Å; W391-F400 AromaticContact CZ2-CE2 3.51Å; W391-F400 HydrophobicContact CZ2-CE2 3.51Å; W391-F400 AromaticContact CZ3-CD2 3.7Å; W391-F400 HydrophobicContact CZ3-CD2 3.7Å; W391-F400 HydrophobicContact CZ3-CE2 4.4Å; W391-F400 HydrophobicContact CZ3-CG 4.45Å; F400-A402 HydrophobicContact CE1-CB 3.99Å; F400-A402 HydrophobicContact CZ-CB 3.94Å
401E97.2Very high96.7Very high4 Ų435.2 Ų35.22%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-139.2133.1169.9-177.7180-13700110.2I272 C294 R295 H389 F390 K403I272-E401 HydrophobicContact CB-CB 4.24Å; I272-E401 HydrophobicContact CD1-CB 4.24Å; I272-E401 HydrophobicContact CG2-CB 4.26Å; I272-E401 VanDerWaalsContact CG2-OE2 3.31Å; I272-E401 WeakPolarHBondContact CG2-OE2 3.5Å; C294-E401 WeakPolarHBondContact O-CA 3.37Å; R295-E401 HydrophobicContact CG-CB 4.17Å; R295-E401 HydrophobicContact CG-CG 3.82Å; R295-E401 IonicContact CZ-OE1 2.76Å; R295-E401 IonicContact NE-OE1 3.75Å; R295-E401 PolarHBondContact NE-OE1 2.97Å; R295-E401 IonicContact NH2-OE1 2.84Å; R295-E401 PolarHBondContact NH2-OE1 3.11Å; H389-E401 CarbonylContact C-O 3.58Å; H389-E401 WeakPolarHBondContact CA-O 3.45Å; F390-E401 HydrophobicContact CB-CB 4.45Å; F390-E401 PolarHBondContact N-O 2.99Å; F390-E401 PolarHBondContact O-N 2.82Å; E401-K403 VanDerWaalsContact CD-CE 3.45Å; E401-K403 HydrophobicContact CG-CG 4.26Å; E401-K403 IonicContact OE1-NZ 2.71Å; E401-K403 PolarHBondContact OE1-NZ 2.92Å; E401-K403 WeakPolarHBondContact OE2-CE 3.36Å; E401-K403 IonicContact OE2-NZ 3.91Å; E401-K403 PolarHBondContact OE2-NZ 3.29Å
402A97.5Very high96.5Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-103.9145.1166.400000110.2G292 H293 C294 T388 F400G292-A402 WeakPolarHBondContact O-CB 3.41Å; H293-A402 CarbonylContact C-O 3.57Å; H293-A402 WeakPolarHBondContact CA-O 3.45Å; C294-A402 PolarHBondContact O-N 3.45Å; T388-A402 CarbonylContact O-C 3.5Å; T388-A402 WeakPolarHBondContact O-CA 3.43Å; F400-A402 HydrophobicContact CE1-CB 3.99Å; F400-A402 HydrophobicContact CZ-CB 3.94Å
403K96.8Very high96.2Very high39 Ų3940.7 Ų40.717%0.1721%0.209CC..EExtended strand (participates in β ladder)trans-131.5124.7170.3-55.2-170.6-161.8-86.70109.4D271 T388 F390 E401D271-K403 IonicContact OD2-NZ 2.82Å; D271-K403 PolarHBondContact OD2-NZ 3.11Å; T388-K403 PolarHBondContact N-O 3.16Å; T388-K403 PolarHBondContact O-N 2.84Å; F390-K403 HydrophobicContact CD2-CG 4.47Å; F390-K403 HydrophobicContact CE2-CB 4.46Å; F390-K403 HydrophobicContact CE2-CD 3.88Å; F390-K403 HydrophobicContact CE2-CG 3.97Å; E401-K403 VanDerWaalsContact CD-CE 3.45Å; E401-K403 HydrophobicContact CG-CG 4.26Å; E401-K403 IonicContact OE1-NZ 2.71Å; E401-K403 PolarHBondContact OE1-NZ 2.92Å; E401-K403 WeakPolarHBondContact OE2-CE 3.36Å; E401-K403 IonicContact OE2-NZ 3.91Å; E401-K403 PolarHBondContact OE2-NZ 3.29Å
404G96.8Very high95.4Very high0 Ų040.8 Ų40.80%021%0.21CC..SBendtrans95.9168.9-170.700000115.3G292 H293 G381 H382G292-G404 CarbonylContact C-O 3.57Å; G292-G404 VanDerWaalsContact CA-O 3.3Å; G292-G404 WeakPolarHBondContact CA-O 3.49Å; G292-G404 PolarHBondContact N-O 3.49Å; H293-G404 PolarHBondContact CD2-N 3.27Å; H293-G404 PolarHBondContact NE2-N 3.49Å; G381-G404 WeakPolarHBondContact O-CA 3.39Å; H382-G404 PolarHBondContact ND1-N 3.49Å
405E97.7Very high93.7Very high126 Ų12646.5 Ų46.559%0.58924%0.243SC*.  trans-117.7150.9177.1179.9165.8-163.300111.6G381 V387 D407G381-E405 CarbonylContact C-O 3.59Å; G381-E405 WeakPolarHBondContact CA-O 3.46Å; G381-E405 PolarHBondContact O-N 3.02Å; V387-E405 WeakPolarHBondContact CG2-O 3.25Å; E405-D407 PolarHBondContact O-N 3.47Å
406H98Very high91.5Very high20 Ų2045.9 Ų45.99%0.09324%0.237CC..  trans-8599.5-173.1-79.2-89.3000113.3W312 C329 V387 H408W312-H406 AromaticContact CD1-CD2 3.81Å; W312-H406 AromaticContact CD1-CE1 3.76Å; W312-H406 AromaticContact CD1-NE2 3.31Å; W312-H406 VanDerWaalsContact CD1-NE2 3.31Å; W312-H406 HydrophobicContact CD2-CB 4.46Å; W312-H406 AromaticContact CD2-CD2 3.78Å; W312-H406 AromaticContact CD2-CE1 3.46Å; W312-H406 VanDerWaalsContact CD2-CE1 3.46Å; W312-H406 AromaticContact CD2-CG 3.68Å; W312-H406 AromaticContact CD2-ND1 3.49Å; W312-H406 AromaticContact CD2-NE2 3.64Å; W312-H406 AromaticContact CE2-CD2 3.31Å; W312-H406 AromaticContact CE2-CE1 3.85Å; W312-H406 AromaticContact CE2-CG 3.43Å; W312-H406 VanDerWaalsContact CE2-CG 3.43Å; W312-H406 AromaticContact CE2-ND1 3.78Å; W312-H406 AromaticContact CE2-NE2 3.6Å; W312-H406 HydrophobicContact CE3-CB 4.36Å; W312-H406 AromaticContact CE3-CE1 3.87Å; W312-H406 AromaticContact CE3-CG 3.88Å; W312-H406 AromaticContact CE3-ND1 3.5Å; W312-H406 AromaticContact CG-CE1 3.43Å; W312-H406 VanDerWaalsContact CG-CE1 3.43Å; W312-H406 AromaticContact CG-ND1 3.99Å; W312-H406 AromaticContact CG-NE2 3.49Å; W312-H406 HydrophobicContact CH2-CB 3.32Å; W312-H406 AromaticContact CH2-CG 3.64Å; W312-H406 HydrophobicContact CZ2-CB 3.44Å; W312-H406 VanDerWaalsContact CZ2-CB 3.44Å; W312-H406 AromaticContact CZ2-CD2 3.63Å; W312-H406 AromaticContact CZ2-CG 3.44Å; W312-H406 VanDerWaalsContact CZ2-CG 3.44Å; W312-H406 HydrophobicContact CZ3-CB 3.81Å; W312-H406 AromaticContact CZ3-CG 3.85Å; W312-H406 AromaticContact CZ3-ND1 3.8Å; W312-H406 AromaticContact NE1-CD2 3.34Å; W312-H406 PolarHBondContact NE1-CD2 2.91Å; W312-H406 VanDerWaalsContact NE1-CD2 3.34Å; W312-H406 AromaticContact NE1-CE1 4Å; W312-H406 AromaticContact NE1-CG 3.96Å; W312-H406 AromaticContact NE1-NE2 3.38Å; W312-H406 PolarHBondContact NE1-NE2 2.85Å; C329-H406 VanDerWaalsContact SG-CE1 3.52Å; V387-H406 WeakPolarHBondContact CG1-NE2 3.3Å; H406-H408 AromaticContact ND1-CE1 3.83Å; H406-H408 AromaticContact ND1-NE2 3.13Å; H406-H408 PolarHBondContact ND1-NE2 2.9Å; H406-H408 VanDerWaalsContact ND1-NE2 3.13Å; H406-H408 PolarHBondContact O-N 2.9Å
407D96.7Very high88.9Confident56 Ų5648.3 Ų48.330%0.29926%0.261SS..  trans-71.724.4178.964.5-51.9000115.4R377 C379 R380 G381 E405R377-D407 PolarHBondContact NE-O 2.75Å; R377-D407 PolarHBondContact NH2-O 2.79Å; C379-D407 VanDerWaalsContact CA-OD1 3.31Å; C379-D407 WeakPolarHBondContact CA-OD1 3.33Å; C379-D407 PolarHBondContact SG-OD1 2.77Å; R380-D407 WeakPolarHBondContact CB-OD2 3.44Å; R380-D407 PolarHBondContact N-OD1 2.88Å; R380-D407 PolarHBondContact N-OD2 3.14Å; G381-D407 VanDerWaalsContact N-CG 3.27Å; G381-D407 PolarHBondContact N-OD1 2.94Å; E405-D407 PolarHBondContact O-N 3.47Å
408H96.8Very high86.1Confident13 Ų1353.9 Ų53.96%0.0629%0.29CS..SBendtrans-155.8159.6-173.567.784000113.3W312 C329 V332 R377 H406W312-H408 AromaticContact CE3-CE1 3.56Å; W312-H408 AromaticContact CZ3-CE1 3.44Å; W312-H408 VanDerWaalsContact CZ3-CE1 3.44Å; W312-H408 WeakPolarHBondContact CZ3-CE1 3.22Å; W312-H408 AromaticContact CZ3-ND1 3.92Å; C329-H408 PolarHBondContact SG-NE2 3.1Å; V332-H408 HydrophobicContact CG1-CB 3.81Å; R377-H408 HydrophobicContact CG-CB 4.18Å; H406-H408 AromaticContact ND1-CE1 3.83Å; H406-H408 AromaticContact ND1-NE2 3.13Å; H406-H408 PolarHBondContact ND1-NE2 2.9Å; H406-H408 VanDerWaalsContact ND1-NE2 3.13Å; H406-H408 PolarHBondContact O-N 2.9Å
409N95.9Very high83Confident59 Ų5958 Ų5832%0.31632%0.319SS..  trans-55.7144.6177.4-71.6-65.3000112.3E334 S347 P411E334-N409 PolarHBondContact OE1-ND2 3.31Å; S347-N409 VanDerWaalsContact OG-CB 3.31Å; S347-N409 WeakPolarHBondContact OG-CB 3.4Å; N409-P411 VanDerWaalsContact O-CD 3.3Å; N409-P411 WeakPolarHBondContact O-CD 3.44Å
410R97.1Very high80.3Confident146 Ų14667 Ų6755%0.55136%0.361SS*.  trans-60.6114.9173.4-74-177.7-178.4177.31.3108.9W289 W312W289-R410 HydrophobicContact CD2-CG 4.35Å; W289-R410 HydrophobicContact CE3-CB 4.39Å; W289-R410 HydrophobicContact CE3-CG 3.86Å; W289-R410 HydrophobicContact CH2-CB 3.78Å; W289-R410 HydrophobicContact CH2-CG 4.17Å; W289-R410 HydrophobicContact CZ2-CB 4.34Å; W289-R410 HydrophobicContact CZ3-CB 3.8Å; W289-R410 HydrophobicContact CZ3-CG 3.76Å; W312-R410 HydrophobicContact CH2-CB 4.49Å; W312-R410 HydrophobicContact CH2-CG 3.57Å; W312-R410 HydrophobicContact CZ2-CG 4.15Å; W312-R410 HydrophobicContact CZ3-CB 4.35Å; W312-R410 HydrophobicContact CZ3-CG 3.9Å
411P97Very high77.4Confident3 Ų372 Ų722%0.01939%0.392CS..PPolyproline II helixtrans-66.1153.517827.4-34.6000110.5W289 W312 A313 V332 S347 R349 N409 L413W289-P411 WeakPolarHBondContact CH2-O 3.33Å; W312-P411 HydrophobicContact CE3-CG 4.45Å; A313-P411 HydrophobicContact CB-CG 4.22Å; V332-P411 HydrophobicContact CB-CB 4.35Å; V332-P411 HydrophobicContact CG2-CB 4.04Å; S347-P411 CarbonylContact O-C 3.56Å; R349-P411 HydrophobicContact CB-CB 4.43Å; R349-P411 HydrophobicContact CG-CB 4.41Å; N409-P411 VanDerWaalsContact O-CD 3.3Å; N409-P411 WeakPolarHBondContact O-CD 3.44Å; P411-L413 PolarHBondContact O-N 2.87Å
412S93.9Very high74.5Confident52 Ų5277 Ų7736%0.36442%0.419SS..PPolyproline II helixtrans-49.4140.4173.3600000111.9S347 R349 K414S347-S412 PolarHBondContact O-N 2.93Å; R349-S412 WeakPolarHBondContact CB-O 3.33Å; R349-S412 WeakPolarHBondContact CD-O 3.44Å; R349-S412 PolarHBondContact N-OG 2.96Å; R349-S412 VanDerWaalsContact N-OG 3.12Å; R349-S412 PolarHBondContact NH1-O 2.82Å; S412-K414 PolarHBondContact O-N 3.43Å
413L91.4Very high71.7Confident79 Ų7983 Ų8341%0.41446%0.455SS..PPolyproline II helixtrans-59.4140.7174.6-70.1177.3000109L288 W289 P411 T415L288-L413 HydrophobicContact CD2-CD1 4.5Å; L288-L413 HydrophobicContact CD2-CD2 3.99Å; W289-L413 HydrophobicContact CH2-CD2 4.18Å; W289-L413 HydrophobicContact CZ2-CD2 3.5Å; W289-L413 HydrophobicContact CZ2-CG 4.22Å; P411-L413 PolarHBondContact O-N 2.87Å; L413-T415 PolarHBondContact O-N 2.79Å
414K79.4Confident68.8Low119 Ų11987.9 Ų87.952%0.51749%0.488SS..PPolyproline II helixtrans-63.2135.4163.7167.2176.2169.4-1740106.4S412 F416S412-K414 PolarHBondContact O-N 3.43Å; K414-F416 VanDerWaalsContact C-N 3.26Å; K414-F416 HydrophobicContact CB-CD2 4.36Å; K414-F416 HydrophobicContact CB-CE1 4.36Å; K414-F416 HydrophobicContact CB-CE2 3.84Å; K414-F416 HydrophobicContact CB-CZ 3.85Å; K414-F416 HydrophobicContact CD-CD1 4.25Å; K414-F416 HydrophobicContact CD-CE1 3.65Å; K414-F416 HydrophobicContact CD-CZ 3.88Å; K414-F416 HydrophobicContact CG-CD1 4.33Å; K414-F416 HydrophobicContact CG-CE1 4.06Å; K414-F416 HydrophobicContact CG-CE2 4.35Å; K414-F416 HydrophobicContact CG-CZ 4.07Å; K414-F416 WeakPolarHBondContact O-CD2 3.32Å; K414-F416 PolarHBondContact O-N 2.83Å
415T59.3Low65.7Low140 Ų14094.6 Ų94.686%0.85953%0.53SS*.  trans-62.890.4171-40.30000109.4L413L413-T415 PolarHBondContact O-N 2.79Å
416F47.9Very low62.7Low67 Ų6793.9 Ų93.929%0.29453%0.534SS..  trans-82.3158.8161.2-55.7-73.3000107.6K414 L418K414-F416 VanDerWaalsContact C-N 3.26Å; K414-F416 HydrophobicContact CB-CD2 4.36Å; K414-F416 HydrophobicContact CB-CE1 4.36Å; K414-F416 HydrophobicContact CB-CE2 3.84Å; K414-F416 HydrophobicContact CB-CZ 3.85Å; K414-F416 HydrophobicContact CD-CD1 4.25Å; K414-F416 HydrophobicContact CD-CE1 3.65Å; K414-F416 HydrophobicContact CD-CZ 3.88Å; K414-F416 HydrophobicContact CG-CD1 4.33Å; K414-F416 HydrophobicContact CG-CE1 4.06Å; K414-F416 HydrophobicContact CG-CE2 4.35Å; K414-F416 HydrophobicContact CG-CZ 4.07Å; K414-F416 WeakPolarHBondContact O-CD2 3.32Å; K414-F416 PolarHBondContact O-N 2.83Å; F416-L418 PolarHBondContact O-N 2.7Å
417G38Very low59.6Low87 Ų8799 Ų9990%0.89757%0.567SS**SBendtrans-78.950.7-173.500000114.4
418L38.8Very low56.6Low118 Ų118103.2 Ų103.262%0.61860%0.595SS**SBendtrans-136.8145.8179.1-62.7173.7000108.9F416F416-L418 PolarHBondContact O-N 2.7Å
419S31.9Very low53.8Low89 Ų89108.6 Ų108.662%0.62263%0.629SS**  trans-70.1164.5170.545.40000111.3T421S419-T421 PolarHBondContact O-N 3.38Å; S419-T421 PolarHBondContact OG-OG1 2.84Å
420E40.4Very low50.7Low189 Ų189112.2 Ų112.288%0.88365%0.653SS**SBendtrans-78.237.8-176.3-59.7-176121.100113.1
421T37.2Very low47.8Very low105 Ų105111.6 Ų111.664%0.64467%0.666SS**  trans-132.960.8-167.1570000111.1S419S419-T421 PolarHBondContact O-N 3.38Å; S419-T421 PolarHBondContact OG-OG1 2.84Å
422D36.2Very low44.8Very low110 Ų110117.7 Ų117.759%0.58870%0.703SS**  trans-146.547.5-179.6-105.3-17.6000110.2
423T38.2Very low42.1Very low125 Ų125122.8 Ų122.877%0.76773%0.725SS**SBendtrans-139133.3172.336.60000109.3
424V36.5Very low39.3Very low142 Ų142123.8 Ų123.886%0.86174%0.736SS**SBendtrans68.580.7-175.4-165.40000114.5
425T30.8Very low37.3Very low141 Ų141125.6 Ų125.687%0.86575%0.751SS**  trans-157.992141.2-65.70000107.6
426T34.5Very low35.9Very low111 Ų111125.2 Ų125.268%0.68175%0.749SS**  trans-111.3106.2171.8-59.10000108.2
427T32.9Very low35.3Very low129 Ų129131.6 Ų131.679%0.79178%0.782SS**  trans6.7105.7163.9510000118.1
428T35.2Very low35.1Very low144 Ų144134.4 Ų134.488%0.88378%0.777SS**PPolyproline II helixtrans-92.2151.1145-25.10000109.1
429T36.6Very low34.7Very low126 Ų126134.9 Ų134.977%0.77378%0.779SS**PPolyproline II helixtrans-71.2143.2-163.7-29.80000114.5
430T32.2Very low34.8Very low134 Ų134137.3 Ų137.382%0.82279%0.785SS**PPolyproline II helixtrans-73.8127166.234.10000112
431T35.1Very low34.4Very low133 Ų133133.1 Ų133.182%0.81677%0.772SS**  trans-134.4123.6162.8-36.10000109.2
432T33.7Very low34.2Very low131 Ų131135.1 Ų135.180%0.80478%0.784SS**  trans-98.9121.6-174.647.10000112.5
433I38.2Very low34Very low160 Ų160135.8 Ų135.882%0.82179%0.793SS**  trans-140.5129.3154.4-58-176.6000108.1
434P32.8Very low33.8Very low99 Ų99134.3 Ų134.364%0.64379%0.793SS**  trans-90156.6173.536.4-34000112
435N35.9Very low33.7Very low157 Ų157134.1 Ų134.184%0.8479%0.793SS**  172.7150.7118.6-87.3-25.9000113.1
436T31.2Very low33.8Very low133 Ų133133.7 Ų133.782%0.81679%0.79SS**  trans-78.1131.1169.448.70000111.6
437M35.8Very low34Very low200 Ų200133.5 Ų133.599%0.98579%0.79SS**  trans-141165.2148.1-77.2-152.5174.900110.2
438N33.1Very low34.1Very low147 Ų147133 Ų13379%0.78679%0.788SS**  trans-142.9167.1-156.5-1637.2000110.7
439L31.2Very low34.2Very low127 Ų127132.5 Ų132.567%0.66578%0.779SS**  trans65.3149.1-179.6-80.763.5000114.1
440N33.6Very low34.3Very low141 Ų141132.2 Ų132.275%0.75478%0.777SS**  cis-137.5136.736.7-91.2-47.6000111.5
441V30.8Very low34.5Very low100 Ų100132 Ų13261%0.60677%0.771SS**  71.910779.9176.60000114.4T443V441-T443 HydrophobicContact CG1-CG2 4.25Å
442T34.5Very low34.7Very low148 Ų148130.2 Ų130.291%0.90876%0.764SS**  trans-129129.4147.4-55.80000108
443T31.2Very low34.8Very low124 Ų124131.1 Ų131.176%0.76176%0.763SS**  trans-84.4140.4-165.445.70000115.5V441V441-T443 HydrophobicContact CG1-CG2 4.25Å
444A34.2Very low34.6Very low94 Ų94128.9 Ų128.978%0.77776%0.756SS**  trans-158.186.1150.600000112.8
445T34.7Very low34.8Very low138 Ų138130.5 Ų130.585%0.84777%0.765SS**  trans33.9111.8152.153.80000122
446T32.3Very low34.8Very low132 Ų132126 Ų12681%0.8176%0.756SS**  trans-62.2-178.814448.30000111.6
447P38.4Very low35.1Very low106 Ų106127.2 Ų127.269%0.68876%0.755SS**  cis-151.5-157.626.444-19.8000118.1
448T36.5Very low34.9Very low120 Ų120123.4 Ų123.474%0.73674%0.744SS**  trans85.1135.4177.2740000115.4
449N36.4Very low35Very low133 Ų133122 Ų12271%0.71174%0.74SS**  cis-157.9153.4-5.5-126.2-5.8000112.6
450V38.6Very low35.1Very low119 Ų119121.4 Ų121.472%0.72174%0.742SS**  trans54.5144.6155.7-53.50000119.3
451D37.2Very low35.1Very low131 Ų131120 Ų12070%0.70174%0.739SS**  cis-160.2167.8-10.7-133.3-61.1000111.9
452S38.6Very low35.2Very low94 Ų94122.2 Ų122.266%0.65775%0.746SS**  trans40.7146.4140-73.60000123.4
453L35.1Very low35.2Very low150 Ų150121.2 Ų121.279%0.78574%0.74SS**  cis-171.6145.8-7.1-176.164.5000111.1
454V35.8Very low35.6Very low113 Ų113121.4 Ų121.469%0.68574%0.741SS**  trans51.3107.8155172.10000121.5
455T36Very low35.8Very low134 Ų134122.4 Ų122.482%0.82274%0.739SS**  36.4127.7117.1-32.20000121.8
456G35.7Very low35.8Very low63 Ų63122.3 Ų122.365%0.64974%0.738SS**  trans152144.8135.600000119.3
457I36.8Very low35.8Very low158 Ų158120.7 Ų120.781%0.8173%0.732SS**  trans67.289149-47.6-178.6000118.1
458T33.3Very low36Very low120 Ų120120.9 Ų120.974%0.73673%0.734SS**  27.3135125.233.20000122.6
459T34.2Very low35.7Very low116 Ų116121.4 Ų121.471%0.71273%0.732SS**  trans95.696.2132.8-63.20000120.2
460T33.1Very low35.8Very low115 Ų115123.3 Ų123.371%0.70674%0.74SS**  trans74.3138.3140.955.60000123.7
461T33Very low35.5Very low113 Ų113126 Ų12669%0.69374%0.742SS**  trans82.1119.5140.239.20000123
462I33.8Very low35.3Very low145 Ų145130.1 Ų130.174%0.74475%0.748SS**  trans92.4143.2135.9-65.7163.6000119.1
463T34.5Very low35.1Very low128 Ų128131.8 Ų131.879%0.78575%0.75SS**  trans68.298.5169.335.50000121.1
464T39.1Very low35.1Very low128 Ų128131.7 Ų131.779%0.78575%0.749SS**  trans-53.8176.1135.948.40000113.6
465P39.1Very low34.8Very low114 Ų114132.5 Ų132.574%0.7475%0.75SS**  cis-133.8-171-2931.7-11000112.6
466V34.3Very low34.6Very low137 Ų137134 Ų13483%0.8375%0.747SS**  162.2143127.2157.90000111.7
467S32.3Very low34.5Very low97 Ų97139 Ų13968%0.67876%0.758SS**  trans-98.2177.1177.5-126.50000110.7
468P42Very low34.2Very low111 Ų111137.2 Ų137.272%0.72176%0.755SS**  cis-152.5167.443.242.6-20.7000120.4
469D31.7Very low34.3Very low131 Ų131137.7 Ų137.770%0.70175%0.753SS**  trans14.5128.5142.9-47.5-15000122.2
470I37.8Very low34.4Very low172 Ų172139.5 Ų139.588%0.88275%0.753SS**  trans-130147.7137-65.1-173.8000108.8
471K31.8Very low34.4Very low176 Ų176141.7 Ų141.777%0.76576%0.76SS**  trans-100.6175.1-171.3-63.9175.8177.2177.10113.6
472R33.7Very low34.4Very low218 Ų218143.6 Ų143.682%0.82377%0.766SS**  trans101.9142.5160.9-58.6-167.7176.8100.4-6.2115.5
473D34.5Very low34.3Very low129 Ų129144.2 Ų144.269%0.6977%0.771SS**  cis-164.7177.3-15.3-100.2-24.7000109.7
474L33.7Very low34.3Very low147 Ų147144.8 Ų144.877%0.7777%0.767SS**  trans78.683.7157.7-69.3151.9000121.3
475N31.4Very low33.9Very low131 Ų131147 Ų14770%0.70177%0.769SS**  47.2150.5110.3-58.9-9.1000124.8
476H31.6Very low33.6Very low166 Ų166151.1 Ų151.177%0.76977%0.771SS**  trans77.8143.8166.9-53.3-75.8000116.3
477L33.2Very low33.7Very low166 Ų166150.7 Ų150.787%0.86976%0.763SS**  cis-118.1166.94.2-78.682.9000112.9
478T31Very low33.7Very low122 Ų122154.4 Ų154.475%0.74877%0.769SS**  trans-130.7143.5176.452.60000111.3
479N34.6Very low33.5Very low130 Ų130157 Ų15770%0.69577%0.771SS**  trans167.3154.9146.7-89.5-17.9000110.4
480H35.7Very low33.5Very low154 Ų154159.2 Ų159.271%0.71378%0.778SS**  cis-141.4154.8-5.3-108-52.4000109.2
481N32.9Very low33.4Very low161 Ų161158.9 Ų158.986%0.86178%0.777SS**  trans-138.9131.7169.6-124.4-19.7000107.8
482N34.4Very low33.6Very low153 Ų153155.8 Ų155.882%0.81878%0.776SS**  trans-109.6114-178.9-83.8-16.4000111
483N32.1Very low33.6Very low158 Ų158153.5 Ų153.585%0.84577%0.774SS**  trans-148.8119.6173.2-164.64.3000107.8
484I34Very low33.4Very low139 Ų139155.6 Ų155.671%0.71378%0.784SS**  trans-107.1118.3-168.8-63.6-178.4000111.2Y486I484-Y486 HydrophobicContact CG2-CD2 3.85Å; I484-Y486 HydrophobicContact CG2-CE2 4.05Å
485Q30.2Very low33.5Very low175 Ų175155.9 Ų155.982%0.81878%0.781SS**  trans-126.3134.7155.3-70.8-173.7-19.700108.5
486Y33.6Very low33.6Very low201 Ų201157.5 Ų157.579%0.78879%0.79SS**  trans-119.6104.7158.8-79.7-87.6000106.1I484I484-Y486 HydrophobicContact CG2-CD2 3.85Å; I484-Y486 HydrophobicContact CG2-CE2 4.05Å
487I35.9Very low33.6Very low127 Ų127157.8 Ų157.865%0.65179%0.792SS**  70.7102.482.2-66169.9000110.7
488H32.8Very low33.9Very low176 Ų176158.1 Ų158.182%0.81579%0.793SS**  trans-91.5146.3162.9-152.6-57.5000107.7
489H37.3Very low34.6Very low165 Ų165157.6 Ų157.676%0.76479%0.792SS**  trans-126.7166.8164.8-9942.5000110.6
490Q32.1Very low35.6Very low178 Ų178156.9 Ų156.983%0.83279%0.794SS**  trans-120.8145.9-171.1-61.9171.7-30.800110.1
491N34.7Very low36.6Very low164 Ų164155.3 Ų155.388%0.87780%0.798SS**  trans-165166.5140.4-104-23.8000110.4
492P35.9Very low37.2Very low112 Ų112153.6 Ų153.673%0.72780%0.796SS**  trans-99.9179.3-139.138.6-40.1000116.4
493H33.1Very low37.5Very low170 Ų170154 Ų15479%0.78780%0.797SS**  trans-42.7137.6171.4-82.1-98.5000114.9
494L31.9Very low38.5Very low173 Ų173152.6 Ų152.691%0.90680%0.796SS**  -134.2152.6122.6-145.173.4000109
495H34.8Very low38.6Very low153 Ų153155 Ų15571%0.70881%0.805SS**  trans-84.9142.2172.5-104.8-58.7000109.8
496D33.5Very low38.7Very low165 Ų165155 Ų15588%0.88280%0.804SS**  trans-145.8153.2137.8-121.6-35.7000110.4
497Q32.8Very low38.8Very low172 Ų172154.8 Ų154.880%0.80481%0.811SS**  trans-104.8132.7-178.9-67.3-1751.300110.7
498L39.7Very low38.6Very low172 Ų172156.4 Ų156.490%0.90182%0.815SS**  trans-117.8132.8167.3-92.2159.1000109.7
499P44.2Very low38.6Very low111 Ų111157.1 Ų157.172%0.72182%0.819SS**PPolyproline II helixtrans-74.6163.2-173-15.531.1000113.6
500P56.5Low38.3Very low116 Ų116152.7 Ų152.775%0.75382%0.818SS**PPolyproline II helixtrans-63.6149.9165.729.3-35.3000111.4
501P57.2Low38.3Very low121 Ų121149.3 Ų149.379%0.78681%0.813SS**PPolyproline II helixtrans-68.2148.9-178.228.5-35.3000112.5
502P44.2Very low38.3Very low125 Ų125149.1 Ų149.181%0.81281%0.807SS**PPolyproline II helixtrans-76.7147.1-173.830.8-35.7000113.5
503L42.1Very low38.1Very low162 Ų162148.8 Ų148.885%0.84880%0.799SS**PPolyproline II helixtrans-75.2133.4164.3-76.1159.8000109.8Q505L503-Q505 PolarHBondContact O-N 2.8Å
504P51.2Low38.2Very low127 Ų127150.3 Ų150.383%0.82580%0.799SS**PPolyproline II helixtrans-62130.7174.7-23.434.4000112.1
505Q36.3Very low38.2Very low191 Ų191145.2 Ų145.289%0.89379%0.788SS**PPolyproline II helixtrans-79.5153.8174.5-69.5178-19.300111.3L503L503-Q505 PolarHBondContact O-N 2.8Å
506Q32.4Very low38.1Very low173 Ų173147.5 Ų147.581%0.80880%0.796SS**PPolyproline II helixtrans-74.7142.3176.7-64.9174.4-14.300111.3
507Q36Very low38Very low198 Ų198146.1 Ų146.193%0.92579%0.788SS**  trans-117.1138.9151.8-83.3-174.5-2000109.2
508Q31.9Very low38.1Very low160 Ų160143.6 Ų143.675%0.74879%0.787SS**  trans-101.5146.8179.5-58.9169.2-800109.1
509Q33.5Very low37.6Very low191 Ų191142.8 Ų142.889%0.89378%0.778SS**  171.7128.3121.1-92.7159.74.700113
510G30.8Very low37Very low72 Ų72148 Ų14874%0.74279%0.785SS**  trans75.6149.5163.300000117.8
511C31.7Very low35.6Very low108 Ų108149.7 Ų149.773%0.7378%0.783SS**  cis-167.1130.3-13.4-122.10000110.9
512H34.7Very low34.4Very low160 Ų160152.1 Ų152.174%0.74178%0.784SS**  trans64.6155.6164.2-53.6-68.2000117.4
513D32.3Very low33.7Very low105 Ų105150.1 Ų150.156%0.56177%0.773SS**  cis-151.3166.7-1.5-132.4-17.9000113.6
514Y33.7Very low33.1Very low202 Ų202150.1 Ų150.179%0.79277%0.773SS**  trans27138.2168.7-50.6-66.6000122.4
515G33.2Very low31.9Very low65 Ų65147.9 Ų147.967%0.6776%0.76SS**  cis169.5154.2-4.800000115.6
516F32.5Very low31.4Very low202 Ų202145.4 Ų145.489%0.88675%0.753SS**  trans63.297.2158.9-69.7-80.3000122.7
517L32Very low31.3Very low135 Ų135144.3 Ų144.371%0.70775%0.748SS**  trans-85.4170.6137.8-112.3168.4000110.1
518P34.7Very low30.9Very low120 Ų120143.3 Ų143.378%0.77974%0.741SS**  trans-120.7123.4138.31.119.6000111.7
519Q27.9Very low30.5Very low155 Ų155141.6 Ų141.672%0.72475%0.745SS**  trans-95.7151.3156.9-69.8179.1-48.100108.9
520Y31.7Very low30.2Very low219 Ų219138.1 Ų138.186%0.85973%0.732SS**  trans-107.6112.2140.1-88.8-110.5000103.7
521E28.1Very low30Very low152 Ų152143.6 Ų143.671%0.7173%0.732SS**  54.7100.659.6-63.1-149.8134.800113.2
522Q31.8Very low29.8Very low173 Ų173148.8 Ų148.881%0.80874%0.738SS**  167.2142.3114.9-86.6170.624.300108.4
523S29.1Very low29.3Very low83 Ų83145.4 Ų145.458%0.5873%0.728SS**  cis-175.2153.7-11.751.20000109
524L28.9Very low29Very low162 Ų162150.4 Ų150.485%0.84874%0.741SS**  trans64162.7157.2-62.6158.6000116.5
525S26.3Very low28.8Very low79 Ų79145.8 Ų145.855%0.55274%0.736SS**  cis-170.5141.7-37.353.10000108.4
526N27Very low28.5Very low139 Ų139148 Ų14874%0.74374%0.741SS**  trans58-165.4161.7-47.4-5000112
527E29.4Very low28.4Very low150 Ų150143.1 Ų143.170%0.70173%0.732SS**  cis-148.5140-5.7-148.5145.3-98.700109.9
528F28.6Very low28.2Very low177 Ų177142.7 Ų142.778%0.77673%0.731SS**  trans42143.6148-82.9-113000123.3N530F528-N530 PolarHBondContact O-N 3.45Å
529C23.3Very low28Very low124 Ų124146.9 Ų146.984%0.83873%0.732SS**  trans-65.2118.6149.4-66.30000110.1
530N27.4Very low28Very low118 Ų118146.3 Ų146.363%0.63173%0.733SS**  trans-152.6128.1159.9-89.2-43.9000107.7F528F528-N530 PolarHBondContact O-N 3.45Å
531Y25.3Very low27.6Very low187 Ų187142.7 Ų142.773%0.73373%0.728SS**  76.5162.274.9-91.3-80.2000113.7
532Y28.2Very low27.6Very low217 Ų217142.8 Ų142.885%0.85173%0.733SS**  trans71.193.7-157.7-45.3-67000111.4
533T24.8Very low27.3Very low89 Ų89141.3 Ų141.355%0.54673%0.731SS.*  cis73.113821.5-320000114.5
534Y26Very low27.4Very low210 Ų210143.8 Ų143.882%0.82474%0.736SS**  trans83.4151.1174.5-65-74000118.6
535P29.3Very low27.5Very low106 Ų106144.2 Ų144.269%0.68873%0.731SS**  cis-129.1157.7-14.835.9-20.3000115.7
536S26.7Very low27.8Very low110 Ų110146.2 Ų146.277%0.76974%0.74SS**  trans59.3161151.4-63.50000119.2
537S30.2Very low28.1Very low101 Ų101145.7 Ų145.771%0.70674%0.737SS**  cis-136.4133.5-3.328.60000107.8
538D28.3Very low28.3Very low126 Ų126146.6 Ų146.667%0.67474%0.741SS**  73.4151.587.1-53.8-59.5000114.7
539Y29.1Very low28.5Very low207 Ų207144.7 Ų144.781%0.81274%0.739SS**  trans67.7102-176.8-61.7-83.9000115.3
540I27.6Very low28.9Very low143 Ų143146.5 Ų146.573%0.73374%0.735SS**  cis71.3128.647.3-49.1171.3000112.9
541N23.7Very low29.2Very low143 Ų143148.3 Ų148.377%0.76574%0.744SS**  trans-45140.1173.8-53.1-79.3000114.8
542L29.4Very low29.5Very low155 Ų155145.7 Ų145.781%0.81274%0.738SS**  trans-174.9110.3136.6-94147.2000105.6I544L542-I544 HydrophobicContact CD2-CD1 4.25Å
543N25.5Very low29.7Very low142 Ų142141 Ų14176%0.75973%0.726SS**  cis60.896.243-16716.6000113.3
544I30.2Very low29.8Very low134 Ų134143.1 Ų143.169%0.68774%0.735SS**  trans-171.3122.2153.2-100.9148.9000110L542L542-I544 HydrophobicContact CD2-CD1 4.25Å
545K30.6Very low30Very low171 Ų171139.7 Ų139.774%0.74373%0.731SS**  trans42.4143.4139.3-49.3-177.8-178.3-179.70119.3
546T33.8Very low29.9Very low122 Ų122140 Ų14075%0.74874%0.735SS**  -152.9151.555.6450000116.1
547N33.3Very low30.1Very low127 Ų127140.1 Ų140.168%0.67973%0.733SS**  trans4.4132.8161.8-48.89.8000119
548E32.6Very low29.9Very low169 Ų169143.1 Ų143.179%0.7974%0.741SS**  cis82.9153.539.1-64.5-170.2147.600116.6
549N34.1Very low29.8Very low138 Ų138145.2 Ų145.274%0.73875%0.751SS**  trans78.4111.4-177.9-49.2-56.3000114.5
550H31.3Very low30Very low162 Ų162140.6 Ų140.675%0.7575%0.749SS**  cis75.496.220-150.7-63.1000115.1
551L33.3Very low30.2Very low155 Ų155142.8 Ų142.881%0.81275%0.753SS**  trans-160.2102.8158.2-102.6153000107.3
552H31.4Very low30.5Very low133 Ų133142.1 Ų142.162%0.61675%0.754SS**  80.4122.2116.4-87.4-117000115.8
553I31.9Very low30.5Very low117 Ų117142.7 Ų142.760%0.675%0.75SS**  72.8125.257.7-63.3164.3000108.7
554D27.4Very low30.9Very low135 Ų135142.8 Ų142.872%0.72275%0.746SS**  cis-154.4-173.735.3-141.5-27.9000115
555N30.3Very low31Very low138 Ų138144.2 Ų144.274%0.73875%0.753SS**  trans85.9110.3155.5-64.2-50.2000121.5
556S26.7Very low31.1Very low111 Ų111139.7 Ų139.778%0.77676%0.755SS**  trans-19.7164.8130.5-56.50000118.2
557P31.9Very low31Very low114 Ų114144 Ų14474%0.7476%0.764SS**  cis-141.7177.523.844-25.4000118.8
558L25Very low31.2Very low164 Ų164148.3 Ų148.386%0.85977%0.77SS**  trans-3.3147150.9-64161.1000120.8
559L26.2Very low31.5Very low169 Ų169144 Ų14489%0.88577%0.771SS**  trans71.790.5141.7-166.981.4000119.1
560S33.9Very low31.9Very low111 Ų111143.6 Ų143.678%0.77677%0.773SS**  trans-146.9101.9153.867.80000115.6
561K32.5Very low32.4Very low189 Ų189140.8 Ų140.882%0.82276%0.764SS**  trans53.7104.1133.2-64.2172.8-178.8172.60119.9
562T28.3Very low33Very low128 Ų128144.3 Ų144.379%0.78577%0.767SS**  49.2142.4123.161.50000120.2
563K30.7Very low33.7Very low167 Ų167146.9 Ų146.973%0.72678%0.776SS**  cis-175.5165.945.2-147.4171.2-177.2-176.10110.7
564H33.5Very low34.4Very low144 Ų144142.3 Ų142.367%0.66776%0.758SS**  trans66.3117.5172.6-60.9-74.6000115.9
565I32.8Very low35.6Very low165 Ų165140.4 Ų140.485%0.84675%0.747SS**  79115.871.8-72.9173.9000113.2
566G32.6Very low36.4Very low76 Ų76144.1 Ų144.178%0.78475%0.75SS**  trans154.8121.4170.700000114.2
567K31.9Very low37.4Very low213 Ų213145.3 Ų145.393%0.92674%0.738SS**  trans-79.9126.9175.6-62.6174-178.5174.20111
568R37.7Very low38.4Very low217 Ų217145.7 Ų145.782%0.81973%0.73SS**  trans-144.8115.3156.1-73.4-165.7174.5173.4-0.7111.7
569G37.3Very low39.8Very low78 Ų78145.3 Ų145.380%0.80472%0.721SS**  trans-77.8132.4171.900000111.5N571G569-N571 PolarHBondContact O-N 3.34Å
570T44Very low41.1Very low129 Ų129144.8 Ų144.879%0.79171%0.712SS**  trans-78.8103.4-171.751.70000112.7R572T570-R572 PolarHBondContact O-N 2.96Å
571N41.1Very low42.1Very low104 Ų104145.6 Ų145.656%0.55671%0.706SS**  trans-76.574.7-173.2-167-15.6000113.4G569 K573 G574G569-N571 PolarHBondContact O-N 3.34Å; N571-K573 PolarHBondContact O-N 3.1Å; N571-K573 PolarHBondContact OD1-N 3.42Å; N571-G574 PolarHBondContact O-N 3.37Å; N571-G574 PolarHBondContact OD1-N 3.23Å
572R46.5Very low43.3Very low229 Ų229140.4 Ų140.486%0.86469%0.691SS**THydrogen-bonded Turntrans-59.1-12.3179.3-86.6-173.7172.9-179-1.2115.1T570T570-R572 PolarHBondContact O-N 2.96Å
573K45.2Very low44.8Very low186 Ų186138.6 Ų138.681%0.80968%0.676SS**THydrogen-bonded Turntrans-90.6-20.6172.4-79.3179.2176.3172.90113.8N571N571-K573 PolarHBondContact O-N 3.1Å; N571-K573 PolarHBondContact OD1-N 3.42Å
574G47.5Very low46.3Very low21 Ų21135.1 Ų135.122%0.21667%0.669CS.*THydrogen-bonded Turntrans-68.1-50.1178.300000113.6N571 R576 R577 E578N571-G574 PolarHBondContact O-N 3.37Å; N571-G574 PolarHBondContact OD1-N 3.23Å; G574-R576 PolarHBondContact O-N 3.02Å; G574-R577 WeakPolarHBondContact O-CA 3Å; G574-R577 WeakPolarHBondContact O-CB 3.3Å; G574-R577 PolarHBondContact O-N 3.08Å; G574-E578 PolarHBondContact O-N 3.25Å
575I51Low47.5Very low95 Ų95136.2 Ų136.249%0.48767%0.669SS.*Hα-helixtrans-56.8-31-172.8-58.2169.7000112.8R577 E578 K579I575-R577 VanDerWaalsContact C-N 3.33Å; I575-E578 WeakPolarHBondContact CA-OE2 3.44Å; I575-K579 PolarHBondContact O-N 3.38Å
576R48.2Very low49.3Very low216 Ų216133 Ų13382%0.81565%0.653SS**Hα-helixtrans-79.9-11.1178.7-145.3175.3-169.8-178.83.4113.6G574G574-R576 PolarHBondContact O-N 3.02Å
577R48.2Very low51Low137 Ų137136 Ų13652%0.51764%0.644SS.*Hα-helixtrans-91.6-44.1169.3-76.2-176.9169.2159-1.5111.9G574 I575 K579 K580 L581 N924G574-R577 WeakPolarHBondContact O-CA 3Å; G574-R577 WeakPolarHBondContact O-CB 3.3Å; G574-R577 PolarHBondContact O-N 3.08Å; I575-R577 VanDerWaalsContact C-N 3.33Å; R577-K579 PolarHBondContact O-N 2.71Å; R577-K580 WeakPolarHBondContact O-CA 3.43Å; R577-K580 WeakPolarHBondContact O-CB 3.17Å; R577-K580 PolarHBondContact O-N 2.78Å; R577-L581 PolarHBondContact O-N 2.87Å; R577-N924 PolarHBondContact NH1-OD1 3.42Å; R577-N924 PolarHBondContact NH2-OD1 2.94Å
578E52.4Low52.7Low121 Ų121132.1 Ų132.157%0.56563%0.627SS**Hα-helixtrans-57.2-47.8177.4-66.8169.413900111.2G574 I575 K580 L581 T582G574-E578 PolarHBondContact O-N 3.25Å; I575-E578 WeakPolarHBondContact CA-OE2 3.44Å; E578-K580 PolarHBondContact O-N 3.45Å; E578-K580 VanDerWaalsContact O-N 3.12Å; E578-L581 PolarHBondContact O-N 2.92Å; E578-T582 PolarHBondContact O-N 3.12Å; E578-T582 PolarHBondContact O-OG1 3.34Å
579K54.2Low54.3Low157 Ų157126.8 Ų126.868%0.68361%0.612SS**Hα-helixtrans-62.7-16174.8-71.9-169.8175.2-171.60114.8I575 R577 N583I575-K579 PolarHBondContact O-N 3.38Å; R577-K579 PolarHBondContact O-N 2.71Å; K579-N583 WeakPolarHBondContact O-CB 3.3Å
580K53.9Low55.9Low158 Ų158128.2 Ų128.269%0.68760%0.598SS**Hα-helixtrans-87.6-38.7169.6-84.1-170.2170.6-173.40112R577 E578 T584R577-K580 WeakPolarHBondContact O-CA 3.43Å; R577-K580 WeakPolarHBondContact O-CB 3.17Å; R577-K580 PolarHBondContact O-N 2.78Å; E578-K580 PolarHBondContact O-N 3.45Å; E578-K580 VanDerWaalsContact O-N 3.12Å; K580-T584 WeakPolarHBondContact O-CB 3.31Å; K580-T584 PolarHBondContact O-N 2.91Å; K580-T584 PolarHBondContact O-OG1 3.03Å
581L54.6Low57.2Low127 Ų127129.9 Ų129.967%0.66559%0.594SS**Hα-helixtrans-64.5-49.3177.1-83.4158.5000111.6R577 E578 N583 T584 Y585R577-L581 PolarHBondContact O-N 2.87Å; E578-L581 PolarHBondContact O-N 2.92Å; L581-N583 PolarHBondContact O-N 2.84Å; L581-T584 WeakPolarHBondContact O-CB 3.39Å; L581-T584 PolarHBondContact O-N 3Å; L581-Y585 PolarHBondContact O-N 3.19Å
582T58Low58.3Low81 Ų81131.4 Ų131.450%0.49759%0.593SS.*Hα-helixtrans-61.8-46.1178.652.40000112.2E578 T584 Y585 L586E578-T582 PolarHBondContact O-N 3.12Å; E578-T582 PolarHBondContact O-OG1 3.34Å; T582-T584 VanDerWaalsContact C-N 3.27Å; T582-T584 PolarHBondContact O-N 2.98Å; T582-Y585 WeakPolarHBondContact O-CB 3.4Å; T582-Y585 PolarHBondContact O-N 3.25Å; T582-Y585 VanDerWaalsContact O-N 3.09Å; T582-L586 WeakPolarHBondContact O-CD1 3.46Å; T582-L586 PolarHBondContact O-N 2.84Å
583N60.4Low59.3Low89 Ų89125.3 Ų125.348%0.47657%0.574SS.*Hα-helixtrans-62.2-34.5176.8-159.5-66.4000112K579 L581 K587K579-N583 WeakPolarHBondContact O-CB 3.3Å; L581-N583 PolarHBondContact O-N 2.84Å; N583-K587 WeakPolarHBondContact O-CB 3.33Å; N583-K587 WeakPolarHBondContact O-CG 3.32Å; N583-K587 PolarHBondContact O-N 3.13Å; N583-K587 WeakPolarHBondContact OD1-CE 3.43Å
584T61.9Low60.4Low95 Ų95121.4 Ų121.458%0.58356%0.562SS**Hα-helixtrans-68.3-39173.3-54.90000111.9K580 L581 T582 K588K580-T584 WeakPolarHBondContact O-CB 3.31Å; K580-T584 PolarHBondContact O-N 2.91Å; K580-T584 PolarHBondContact O-OG1 3.03Å; L581-T584 WeakPolarHBondContact O-CB 3.39Å; L581-T584 PolarHBondContact O-N 3Å; T582-T584 VanDerWaalsContact C-N 3.27Å; T582-T584 PolarHBondContact O-N 2.98Å; T584-K588 WeakPolarHBondContact O-CB 3.48Å; T584-K588 PolarHBondContact O-N 3.34Å
585Y58.7Low61Low167 Ų167127.4 Ų127.466%0.65558%0.579SS**Hα-helixtrans-66.1-48.9176.6-157.7-80.3000111.5L581 T582 K587 K588 Q589L581-Y585 PolarHBondContact O-N 3.19Å; T582-Y585 WeakPolarHBondContact O-CB 3.4Å; T582-Y585 PolarHBondContact O-N 3.25Å; T582-Y585 VanDerWaalsContact O-N 3.09Å; Y585-K587 PolarHBondContact O-N 3.39Å; Y585-K588 CarbonylContact O-C 3.6Å; Y585-K588 WeakPolarHBondContact O-CA 3.42Å; Y585-K588 WeakPolarHBondContact O-CB 3.47Å; Y585-K588 PolarHBondContact O-N 3.05Å; Y585-Q589 PolarHBondContact O-N 3.4Å
586L70Confident61.3Low98 Ų98130.3 Ų130.351%0.51359%0.585SS.*Hα-helixtrans-56.1-46174.2-92.5120.5000112.3T582 K588 Q589 Q590T582-L586 WeakPolarHBondContact O-CD1 3.46Å; T582-L586 PolarHBondContact O-N 2.84Å; L586-K588 VanDerWaalsContact C-N 3.25Å; L586-K588 PolarHBondContact O-N 2.98Å; L586-Q589 PolarHBondContact O-N 3.12Å; L586-Q590 WeakPolarHBondContact O-CB 3.31Å; L586-Q590 WeakPolarHBondContact O-CG 3.27Å; L586-Q590 PolarHBondContact O-N 3.25Å
587K68.6Low62.2Low139 Ų139125.6 Ų125.660%0.60457%0.57SS**Hα-helixtrans-64.7-27.8175.9-74.5-171.8177.9-165.60113.2N583 Y585 K591N583-K587 WeakPolarHBondContact O-CB 3.33Å; N583-K587 WeakPolarHBondContact O-CG 3.32Å; N583-K587 PolarHBondContact O-N 3.13Å; N583-K587 WeakPolarHBondContact OD1-CE 3.43Å; Y585-K587 PolarHBondContact O-N 3.39Å; K587-K591 WeakPolarHBondContact O-CB 3.45Å; K587-K591 PolarHBondContact O-N 3.28Å
588K67.2Low62.8Low130 Ų130125.2 Ų125.257%0.56557%0.572SS**Hα-helixtrans-73.8-43172.7-155.8-176.1-176.4-169.10110.9T584 Y585 L586 K591 Y592T584-K588 WeakPolarHBondContact O-CB 3.48Å; T584-K588 PolarHBondContact O-N 3.34Å; Y585-K588 CarbonylContact O-C 3.6Å; Y585-K588 WeakPolarHBondContact O-CA 3.42Å; Y585-K588 WeakPolarHBondContact O-CB 3.47Å; Y585-K588 PolarHBondContact O-N 3.05Å; L586-K588 VanDerWaalsContact C-N 3.25Å; L586-K588 PolarHBondContact O-N 2.98Å; K588-K591 WeakPolarHBondContact O-CB 3.4Å; K588-K591 PolarHBondContact O-N 3.41Å; K588-Y592 HydrophobicContact CG-CD2 4.48Å; K588-Y592 HydrophobicContact CG-CE2 4.09Å; K588-Y592 VanDerWaalsContact O-CD2 3.25Å; K588-Y592 WeakPolarHBondContact O-CD2 3.4Å; K588-Y592 PolarHBondContact O-N 3.37Å; K588-Y592 VanDerWaalsContact O-N 3.13Å
589Q71.3Confident62.9Low105 Ų105123.3 Ų123.349%0.49157%0.566SS.*Hα-helixtrans-65.4-47.4179.6-162.1168.39.600111.8Y585 L586 K591 Y592 E593Y585-Q589 PolarHBondContact O-N 3.4Å; L586-Q589 PolarHBondContact O-N 3.12Å; Q589-K591 PolarHBondContact O-N 3.02Å; Q589-Y592 PolarHBondContact O-N 2.79Å; Q589-E593 PolarHBondContact O-N 2.95Å
590Q71.4Confident62.8Low109 Ų109119 Ų11951%0.50956%0.555SS.*Hα-helixtrans-57.2-33.4171-74.3-180-2600112.8L586 N594L586-Q590 WeakPolarHBondContact O-CB 3.31Å; L586-Q590 WeakPolarHBondContact O-CG 3.27Å; L586-Q590 PolarHBondContact O-N 3.25Å; Q590-N594 VanDerWaalsContact O-CB 3.31Å; Q590-N594 WeakPolarHBondContact O-CB 3.33Å; Q590-N594 VanDerWaalsContact O-CG 3.28Å; Q590-N594 PolarHBondContact O-N 2.97Å; Q590-N594 PolarHBondContact O-ND2 2.94Å
591K70Confident62.8Low164 Ų164118 Ų11871%0.71356%0.558SS**Hα-helixtrans-70.9-33.4176-165.4177.4-177.7-176.80112.5K587 K588 Q589 Y595K587-K591 WeakPolarHBondContact O-CB 3.45Å; K587-K591 PolarHBondContact O-N 3.28Å; K588-K591 WeakPolarHBondContact O-CB 3.4Å; K588-K591 PolarHBondContact O-N 3.41Å; Q589-K591 PolarHBondContact O-N 3.02Å; K591-Y595 WeakPolarHBondContact O-CB 3.46Å; K591-Y595 PolarHBondContact O-N 3.28Å
592Y64.5Low62.5Low135 Ų135118 Ų11853%0.52955%0.554SS.*Hα-helixtrans-71.9-44.3170.9-77.6-73.3000111.7K588 Q589 N594 Y595 Y596K588-Y592 HydrophobicContact CG-CD2 4.48Å; K588-Y592 HydrophobicContact CG-CE2 4.09Å; K588-Y592 VanDerWaalsContact O-CD2 3.25Å; K588-Y592 WeakPolarHBondContact O-CD2 3.4Å; K588-Y592 PolarHBondContact O-N 3.37Å; K588-Y592 VanDerWaalsContact O-N 3.13Å; Q589-Y592 PolarHBondContact O-N 2.79Å; Y592-N594 PolarHBondContact O-N 2.94Å; Y592-Y595 WeakPolarHBondContact O-CB 3.46Å; Y592-Y595 PolarHBondContact O-N 2.93Å; Y592-Y595 VanDerWaalsContact O-N 3.1Å; Y592-Y596 WeakPolarHBondContact O-CD2 3.21Å; Y592-Y596 PolarHBondContact O-N 3.2Å
593E67.9Low61.7Low101 Ų101117.7 Ų117.747%0.47256%0.555SS.*Hα-helixtrans-58.6-44.9174.7-77-165.3-166.500112.5Q589 Y595 Y596 K597Q589-E593 PolarHBondContact O-N 2.95Å; E593-Y595 PolarHBondContact O-N 3.3Å; E593-Y596 PolarHBondContact O-N 3.19Å; E593-K597 WeakPolarHBondContact O-CB 3.45Å; E593-K597 WeakPolarHBondContact O-CG 3.42Å; E593-K597 PolarHBondContact O-N 3.43Å; E593-K597 IonicContact OE2-NZ 3.17Å; E593-K597 PolarHBondContact OE2-NZ 3.06Å
594N69.4Low60.7Low104 Ų104121.5 Ų121.556%0.55658%0.576SS**Hα-helixtrans-67.3-26177.5-74.1-23.9000112.6Q590 Y592 K598Q590-N594 VanDerWaalsContact O-CB 3.31Å; Q590-N594 WeakPolarHBondContact O-CB 3.33Å; Q590-N594 VanDerWaalsContact O-CG 3.28Å; Q590-N594 PolarHBondContact O-N 2.97Å; Q590-N594 PolarHBondContact O-ND2 2.94Å; Y592-N594 PolarHBondContact O-N 2.94Å; N594-K598 WeakPolarHBondContact O-CB 3.47Å; N594-K598 PolarHBondContact O-N 3.41Å; N594-K598 VanDerWaalsContact O-N 3.1Å
595Y59.3Low59.5Low147 Ų147121 Ų12158%0.57658%0.575SS**Hα-helixtrans-71.6-46.2171.6-176.3-109.7000111.4K591 Y592 E593 K598 L599K591-Y595 WeakPolarHBondContact O-CB 3.46Å; K591-Y595 PolarHBondContact O-N 3.28Å; Y592-Y595 WeakPolarHBondContact O-CB 3.46Å; Y592-Y595 PolarHBondContact O-N 2.93Å; Y592-Y595 VanDerWaalsContact O-N 3.1Å; E593-Y595 PolarHBondContact O-N 3.3Å; Y595-K598 PolarHBondContact O-N 2.99Å; Y595-L599 HydrophobicContact CD1-CD1 3.88Å; Y595-L599 HydrophobicContact CE1-CD1 3.46Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.46Å; Y595-L599 HydrophobicContact CE2-CD1 4.34Å; Y595-L599 HydrophobicContact CG-CD1 4.48Å; Y595-L599 PolarHBondContact O-N 3.29Å
596Y56.2Low58.9Low157 Ų157116.6 Ų116.662%0.61657%0.566SS**Hα-helixtrans-66.1-40.6175.3-80.7-71.9000112.9Y592 E593 K598 L599 S600Y592-Y596 WeakPolarHBondContact O-CD2 3.21Å; Y592-Y596 PolarHBondContact O-N 3.2Å; E593-Y596 PolarHBondContact O-N 3.19Å; Y596-K598 VanDerWaalsContact C-N 3.27Å; Y596-K598 PolarHBondContact O-N 2.73Å; Y596-L599 PolarHBondContact O-N 3.13Å; Y596-S600 PolarHBondContact O-N 3.47Å; Y596-S600 PolarHBondContact O-OG 2.89Å
597K67.8Low57.6Low116 Ų116117.7 Ų117.750%0.50457%0.572SS.*Hα-helixtrans-64-29.4173.1-78.6172.5176.1157.30112.9E593 S600 N601E593-K597 WeakPolarHBondContact O-CB 3.45Å; E593-K597 WeakPolarHBondContact O-CG 3.42Å; E593-K597 PolarHBondContact O-N 3.43Å; E593-K597 IonicContact OE2-NZ 3.17Å; E593-K597 PolarHBondContact OE2-NZ 3.06Å; K597-S600 WeakPolarHBondContact CA-OG 3.3Å; K597-S600 PolarHBondContact O-OG 2.89Å; K597-S600 VanDerWaalsContact O-OG 3.07Å; K597-N601 WeakPolarHBondContact O-CB 3.08Å; K597-N601 PolarHBondContact O-N 2.89Å; K597-N601 PolarHBondContact O-OD1 3.43Å
598K61.9Low56.5Low129 Ų129115.7 Ų115.756%0.56157%0.568SS**Hα-helixtrans-73.6-43.3172.7-170.1164.6178.3173.90111.3N594 Y595 Y596 S600 N601 E602N594-K598 WeakPolarHBondContact O-CB 3.47Å; N594-K598 PolarHBondContact O-N 3.41Å; N594-K598 VanDerWaalsContact O-N 3.1Å; Y595-K598 PolarHBondContact O-N 2.99Å; Y596-K598 VanDerWaalsContact C-N 3.27Å; Y596-K598 PolarHBondContact O-N 2.73Å; K598-S600 PolarHBondContact O-N 2.86Å; K598-N601 PolarHBondContact O-N 3.29Å; K598-E602 WeakPolarHBondContact CE-OE1 3.44Å; K598-E602 IonicContact NZ-OE1 3.48Å; K598-E602 PolarHBondContact O-N 2.89Å
599L54.4Low55.6Low81 Ų81111.9 Ų111.942%0.42455%0.553SS.*Hα-helixtrans-60.9-39.3173.5-87.7155.5000113.3Y595 Y596 N601 S603Y595-L599 HydrophobicContact CD1-CD1 3.88Å; Y595-L599 HydrophobicContact CE1-CD1 3.46Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.46Å; Y595-L599 HydrophobicContact CE2-CD1 4.34Å; Y595-L599 HydrophobicContact CG-CD1 4.48Å; Y595-L599 PolarHBondContact O-N 3.29Å; Y596-L599 PolarHBondContact O-N 3.13Å; L599-N601 VanDerWaalsContact C-N 3.3Å; L599-N601 PolarHBondContact O-N 2.9Å; L599-S603 WeakPolarHBondContact O-CB 3.33Å; L599-S603 PolarHBondContact O-N 3.22Å; L599-S603 PolarHBondContact O-OG 3.03Å
600S51.2Low54.6Low66 Ų66111 Ų11146%0.46255%0.551SS.*Hα-helixtrans-71.8-2217764.70000114Y596 K597 K598 S603Y596-S600 PolarHBondContact O-N 3.47Å; Y596-S600 PolarHBondContact O-OG 2.89Å; K597-S600 WeakPolarHBondContact CA-OG 3.3Å; K597-S600 PolarHBondContact O-OG 2.89Å; K597-S600 VanDerWaalsContact O-OG 3.07Å; K598-S600 PolarHBondContact O-N 2.86Å; S600-S603 PolarHBondContact O-OG 2.86Å
601N53.4Low53.5Low138 Ų138111.9 Ų111.974%0.73855%0.553SS**Hα-helixtrans-95.6-16.2-179.1-6815.7000112.3K597 K598 L599K597-N601 WeakPolarHBondContact O-CB 3.08Å; K597-N601 PolarHBondContact O-N 2.89Å; K597-N601 PolarHBondContact O-OD1 3.43Å; K598-N601 PolarHBondContact O-N 3.29Å; L599-N601 VanDerWaalsContact C-N 3.3Å; L599-N601 PolarHBondContact O-N 2.9Å
602E48.3Very low52.4Low126 Ų126111.1 Ų111.159%0.58955%0.546SS*.Hα-helixtrans-90.3-9.4169.9-70.2173.9179.700112.1K598 N604K598-E602 WeakPolarHBondContact CE-OE1 3.44Å; K598-E602 IonicContact NZ-OE1 3.48Å; K598-E602 PolarHBondContact O-N 2.89Å; E602-N604 PolarHBondContact O-N 3.44Å; E602-N604 VanDerWaalsContact O-N 3.09Å
603S41.1Very low51.4Low75 Ų75109.5 Ų109.552%0.52455%0.546SS..THydrogen-bonded Turntrans-86.562-177.463.90000114.6L599 S600L599-S603 WeakPolarHBondContact O-CB 3.33Å; L599-S603 PolarHBondContact O-N 3.22Å; L599-S603 PolarHBondContact O-OG 3.03Å; S600-S603 PolarHBondContact O-OG 2.86Å
604N40.2Very low50.3Low169 Ų169113.2 Ų113.290%0.90456%0.556SS**THydrogen-bonded Turntrans-106.25.7159.3-108.1-9.3000113E602E602-N604 PolarHBondContact O-N 3.44Å; E602-N604 VanDerWaalsContact O-N 3.09Å
605C37.4Very low49.2Very low85 Ų85115.1 Ų115.157%0.57456%0.559SS**SBendtrans-83.7135.4165.4-68.90000110
606T44.8Very low48.4Very low74 Ų74113.1 Ų113.145%0.45456%0.558SS.*  trans-73.8159-178.179.10000111.7N608 D609 I610T606-N608 PolarHBondContact O-N 3.38Å; T606-N608 VanDerWaalsContact O-N 3.07Å; T606-N608 PolarHBondContact OG1-N 3.32Å; T606-D609 VanDerWaalsContact CB-OD2 3.26Å; T606-D609 WeakPolarHBondContact CB-OD2 3.4Å; T606-D609 WeakPolarHBondContact CG2-OD2 3.43Å; T606-D609 PolarHBondContact N-OD2 2.94Å; T606-D609 PolarHBondContact O-N 3.47Å; T606-D609 VanDerWaalsContact OG1-CG 3.23Å; T606-D609 PolarHBondContact OG1-N 3.4Å; T606-D609 PolarHBondContact OG1-OD2 2.8Å; T606-I610 PolarHBondContact O-N 3.4Å
607L42.9Very low47.8Very low122 Ų122113.3 Ų113.364%0.63957%0.565SS**Hα-helixtrans-57.2-23.8173.4-174.160.5000112.7K611L607-K611 WeakPolarHBondContact O-CG 3.28Å; L607-K611 PolarHBondContact O-N 2.78Å
608N46.3Very low46.7Very low97 Ų97114.4 Ų114.452%0.51957%0.572SS.*Hα-helixtrans-77.2-30.2175-73.6-31.5000113T606 K611 R612T606-N608 PolarHBondContact O-N 3.38Å; T606-N608 VanDerWaalsContact O-N 3.07Å; T606-N608 PolarHBondContact OG1-N 3.32Å; N608-K611 PolarHBondContact O-N 2.89Å; N608-R612 WeakPolarHBondContact O-CB 3.35Å; N608-R612 PolarHBondContact O-N 2.8Å
609D48.4Very low45.6Very low49 Ų49113.5 Ų113.526%0.26257%0.573SS.*Hα-helixtrans-77.8-34-179.4-53.3-48.5000111.3T606 K611 R612 N613T606-D609 VanDerWaalsContact CB-OD2 3.26Å; T606-D609 WeakPolarHBondContact CB-OD2 3.4Å; T606-D609 WeakPolarHBondContact CG2-OD2 3.43Å; T606-D609 PolarHBondContact N-OD2 2.94Å; T606-D609 PolarHBondContact O-N 3.47Å; T606-D609 VanDerWaalsContact OG1-CG 3.23Å; T606-D609 PolarHBondContact OG1-N 3.4Å; T606-D609 PolarHBondContact OG1-OD2 2.8Å; D609-K611 VanDerWaalsContact C-N 3.32Å; D609-R612 PolarHBondContact O-N 2.98Å; D609-N613 WeakPolarHBondContact O-CB 3.14Å; D609-N613 PolarHBondContact O-N 2.96Å; D609-N613 PolarHBondContact O-ND2 2.93Å
610I48.8Very low44.8Very low86 Ų86115.9 Ų115.944%0.44159%0.591SS.*Hα-helixtrans-65.6-37.1170.7-59.9174.7000110.4T606 R614T606-I610 PolarHBondContact O-N 3.4Å; I610-R614 WeakPolarHBondContact O-CG 3.48Å; I610-R614 PolarHBondContact O-N 3.15Å
611K49.7Very low44Very low128 Ų128121.3 Ų121.356%0.55760%0.601SS**Hα-helixtrans-73.7-38.1174.3-72.9177.2-179.8-179.60112.8L607 N608 D609 R614 K615L607-K611 WeakPolarHBondContact O-CG 3.28Å; L607-K611 PolarHBondContact O-N 2.78Å; N608-K611 PolarHBondContact O-N 2.89Å; D609-K611 VanDerWaalsContact C-N 3.32Å; K611-R614 PolarHBondContact O-N 2.79Å; K611-K615 PolarHBondContact O-N 2.8Å; K611-K615 VanDerWaalsContact O-N 3.1Å
612R47.3Very low43.2Very low149 Ų149119 Ų11956%0.56260%0.596SS**Hα-helixtrans-67.7-43.8175.9-101.2178.7-91.6162.9-7112.5N608 D609 R614 K615 N616N608-R612 WeakPolarHBondContact O-CB 3.35Å; N608-R612 PolarHBondContact O-N 2.8Å; D609-R612 PolarHBondContact O-N 2.98Å; R612-R614 VanDerWaalsContact C-N 3.32Å; R612-R614 PolarHBondContact O-N 3.09Å; R612-K615 PolarHBondContact O-N 2.82Å; R612-N616 WeakPolarHBondContact O-CB 3.43Å; R612-N616 PolarHBondContact O-N 3.36Å
613N43.4Very low42.6Very low100 Ų100120.2 Ų120.254%0.53561%0.607SS.*Hα-helixtrans-65.4-33.6176-79.7-61.9000112.7D609 Q617D609-N613 WeakPolarHBondContact O-CB 3.14Å; D609-N613 PolarHBondContact O-N 2.96Å; D609-N613 PolarHBondContact O-ND2 2.93Å; N613-Q617 PolarHBondContact O-N 3.27Å; N613-Q617 VanDerWaalsContact O-N 3.12Å
614R44.8Very low42.3Very low179 Ų179125.7 Ų125.768%0.67562%0.624SS**Hα-helixtrans-66.9-37.4171.5-75-177.3-177.3-170.62.4113.2I610 K611 R612 Q618I610-R614 WeakPolarHBondContact O-CG 3.48Å; I610-R614 PolarHBondContact O-N 3.15Å; K611-R614 PolarHBondContact O-N 2.79Å; R612-R614 VanDerWaalsContact C-N 3.32Å; R612-R614 PolarHBondContact O-N 3.09Å; R614-Q618 VanDerWaalsContact O-CG 3.29Å; R614-Q618 WeakPolarHBondContact O-CG 3.14Å; R614-Q618 PolarHBondContact O-OE1 3.14Å
615K46.2Very low42Very low145 Ų145125.7 Ų125.763%0.6362%0.622SS**Hα-helixtrans-71.1-39.9172.7-85.6-166.7168.8-170.60113.2K611 R612 Q617 Q618 N619K611-K615 PolarHBondContact O-N 2.8Å; K611-K615 VanDerWaalsContact O-N 3.1Å; R612-K615 PolarHBondContact O-N 2.82Å; K615-Q617 VanDerWaalsContact C-N 3.33Å; K615-Q617 PolarHBondContact O-N 2.96Å; K615-Q618 WeakPolarHBondContact O-CA 3.49Å; K615-Q618 WeakPolarHBondContact O-CB 3.35Å; K615-Q618 PolarHBondContact O-N 3.33Å; K615-N619 PolarHBondContact O-N 2.82Å
616N41.3Very low41.9Very low104 Ų104129.2 Ų129.256%0.55664%0.635SS**Hα-helixtrans-73.8-23-177.4-72.58000113.2R612 Q618R612-N616 WeakPolarHBondContact O-CB 3.43Å; R612-N616 PolarHBondContact O-N 3.36Å; N616-Q618 VanDerWaalsContact C-N 3.28Å
617Q44.6Very low41.4Very low162 Ų162134.5 Ų134.576%0.75765%0.652SS**THydrogen-bonded Turntrans-81-2.3166.2-68.8-174.9-2.800113.9N613 K615N613-Q617 PolarHBondContact O-N 3.27Å; N613-Q617 VanDerWaalsContact O-N 3.12Å; K615-Q617 VanDerWaalsContact C-N 3.33Å; K615-Q617 PolarHBondContact O-N 2.96Å
618Q43.4Very low41Very low139 Ų139138.1 Ų138.165%0.6566%0.663SS**THydrogen-bonded Turntrans-103.6-12.8174.2-72.8176-3400113.3R614 K615 N616R614-Q618 VanDerWaalsContact O-CG 3.29Å; R614-Q618 WeakPolarHBondContact O-CG 3.14Å; R614-Q618 PolarHBondContact O-OE1 3.14Å; K615-Q618 WeakPolarHBondContact O-CA 3.49Å; K615-Q618 WeakPolarHBondContact O-CB 3.35Å; K615-Q618 PolarHBondContact O-N 3.33Å; N616-Q618 VanDerWaalsContact C-N 3.28Å
619N38.5Very low40.4Very low110 Ų110142.7 Ų142.759%0.58868%0.678SS**SBendtrans-95.98.5-174.2-81.95.1000115.5K615K615-N619 PolarHBondContact O-N 2.82Å
620T37.5Very low39.7Very low130 Ų130147.7 Ų147.780%0.79870%0.703SS**SBendtrans-101.624176.350.10000113.3
621R35.3Very low38.8Very low180 Ų180148.3 Ų148.368%0.67971%0.713SS**SBendtrans-137.324.4177.3-145175.3-167132.314113.8
622S35.9Very low38.1Very low90 Ų90150.3 Ų150.363%0.62973%0.728SS**SBendtrans-107.414-173.8-560000113.6
623D35.9Very low37.4Very low151 Ų151151.6 Ų151.681%0.80774%0.738SS**SBendtrans-128.3156.4171.4-79.9-64.3000109.7
624Q35.9Very low36.7Very low190 Ų190153 Ų15389%0.88875%0.75SS**SBendtrans71.937.1179.2-49.8-171.712.300118.8
625I34.5Very low36.3Very low169 Ų169151.3 Ų151.387%0.86776%0.755SS**  trans-129.888.7143.3-56.2-177.4000108.8
626N33.6Very low35.6Very low159 Ų159152.8 Ų152.885%0.8576%0.764SS**  trans-149.764.8175.8-149.3-1.6000111.8
627K35.6Very low35.4Very low185 Ų185155 Ų15580%0.80478%0.776SS**SBendtrans-165.6156.3163.6-110.7161.4-173.7177.50110.5
628F33.9Very low35Very low199 Ų199153.2 Ų153.287%0.87377%0.771SS**  trans62.970.4-176.2-61-71.8000115.9
629K33.6Very low34.7Very low192 Ų192152.5 Ų152.584%0.83577%0.772SS**  trans-103.3119.9158.5-179.4-177.9-176.4-179.40107.6
630I33.9Very low34.6Very low154 Ų154154.5 Ų154.579%0.7978%0.783SS**  trans-122.7122167-60.4-179.6000106.7
631P30.8Very low34.6Very low100 Ų100153.5 Ų153.565%0.64978%0.778SS**  trans-97147.8-175.336.3-32.7000112.7
632I33.9Very low34.5Very low170 Ų170150.5 Ų150.587%0.87277%0.774SS**  trans-122.2142.3152-62.6-178.9000106.2
633K33.6Very low34.5Very low176 Ų176150.8 Ų150.877%0.76577%0.765SS**  trans-85.2150.3-172.7-60.9178.3178.8-177.70111.7
634T28.4Very low34.4Very low129 Ų129150.3 Ų150.379%0.79175%0.752SS**  trans-107.5125.5154.447.50000107.4
635D36.5Very low34.4Very low144 Ų144147.8 Ų147.877%0.7775%0.745SS**  trans-113.4124.3161.9-67.2-55.2000105.9
636E31.1Very low34.5Very low175 Ų175147 Ų14782%0.81874%0.743SS**  trans-93.8153.9179.7-63.1174.2135.200109.9
637N37Very low34.7Very low151 Ų151144 Ų14481%0.80773%0.732SS**  trans179.1114.8142.9-92.3-13.5000112
638D37Very low34.5Very low125 Ų125144.8 Ų144.867%0.66874%0.736SS**  63.6111.6124.3-7434.8000123.9
639N36.9Very low34.6Very low124 Ų124144.5 Ų144.566%0.66374%0.737SS**  88.2104.4124.4-53-19.8000122
640D34.9Very low34.6Very low152 Ų152138.6 Ų138.681%0.81373%0.73SS**  trans88.6149.5132-59.5-27.7000123.2
641P37.9Very low34.3Very low109 Ų109139 Ų13971%0.70873%0.734SS**  trans-127.2-139.2-160.839.6-17.6000113.2
642I34Very low34.4Very low116 Ų116141 Ų14160%0.59575%0.745SS**  trans87.4137.3174.6-56.7172.7000112.8
643F35.1Very low34.2Very low97 Ų97140.1 Ų140.143%0.42574%0.74SS.*  cis-151.5165.79-121.3-27.5000113C901 H902F643-C901 HydrophobicContact CE1-CB 3.56Å; F643-C901 VanDerWaalsContact CE1-SG 3.6Å; F643-C901 HydrophobicContact CZ-CB 3.92Å; F643-H902 AromaticContact CD1-NE2 3.41Å; F643-H902 WeakPolarHBondContact CD1-NE2 3.11Å; F643-H902 AromaticContact CE1-CD2 3.83Å; F643-H902 AromaticContact CE1-NE2 3.46Å; F643-H902 WeakPolarHBondContact CE1-NE2 3.4Å
644Y35.1Very low34.1Very low140 Ų140139.7 Ų139.755%0.54974%0.74SS.*  trans47.7156.3144.4-68.3-50.8000123C901Y644-C901 PolarHBondContact OH-SG 3.5Å
645D36Very low34.2Very low138 Ų138140.2 Ų140.274%0.73874%0.738SS**  cis-153.8-174-1.7-128.2-30.7000114.6
646D35.6Very low33.8Very low152 Ų152136.7 Ų136.781%0.81374%0.736SS**  trans-70.1169.1-167.1-121.610.1000119.5
647P38.5Very low33.7Very low95 Ų95138.8 Ų138.862%0.61774%0.738SS**  trans-109.4171.6-174.942.1-35.2000115.6
648F31Very low33.4Very low202 Ų202137.6 Ų137.689%0.88674%0.738SS**  trans-179.5172.4137.1-110.2-74.5000112.7
649H35.7Very low33.1Very low194 Ų194140 Ų14090%0.89875%0.748SS**  trans66.2151-175.3-66.9-40.1000116.2
650G32.9Very low32.8Very low67 Ų67141.6 Ų141.669%0.69176%0.756SS**  cis178.3154.3-4.700000111.3
651D28.2Very low32.6Very low164 Ų164141.7 Ų141.788%0.87776%0.755SS**  trans-59.9142.5-168.1-51.7-70.2000115.5
652T34.1Very low32.1Very low142 Ų142144.5 Ų144.587%0.87176%0.763SS**  trans-164.4141.9133.4-73.40000110.3
653I28.5Very low32Very low150 Ų150144.8 Ų144.877%0.76977%0.766SS**  trans-94.3130.5-176.8-60.2164.2000110.4
654H31.3Very low32Very low167 Ų167145.9 Ų145.977%0.77378%0.776SS**  trans-162.2154.1139.4-129.1-97.3000116
655N30.1Very low32Very low141 Ų141145.3 Ų145.375%0.75478%0.783SS**  trans-48.9146.8-174.6-50-22.5000117.3
656G28.3Very low31.8Very low70 Ų70144.4 Ų144.472%0.72278%0.777SS**  trans169.685.7160.200000117.5
657Y30.4Very low31.5Very low219 Ų219147.4 Ų147.486%0.85978%0.777SS**  trans21128.8158.9-62.7-85.7000121.7M659Y657-M659 PolarHBondContact O-N 3.19Å; Y657-M659 VanDerWaalsContact O-N 3.12Å
658P30.2Very low31.2Very low125 Ų125149.2 Ų149.281%0.81278%0.782SS**  trans-71.4106.8166.730.7-32.8000111.3N660P658-N660 PolarHBondContact O-N 3.4Å; P658-N660 VanDerWaalsContact O-N 3.07Å
659M30.7Very low31.1Very low177 Ų177147.2 Ų147.287%0.87278%0.78SS**  trans-69.898.8171.9-92.7-69.6-174.900111Y657Y657-M659 PolarHBondContact O-N 3.19Å; Y657-M659 VanDerWaalsContact O-N 3.12Å
660N29.7Very low30.9Very low156 Ų156146.7 Ų146.783%0.83478%0.778SS**  trans-91.9102.4173.8-148.8-0.7000109P658 L662P658-N660 PolarHBondContact O-N 3.4Å; P658-N660 VanDerWaalsContact O-N 3.07Å; N660-L662 PolarHBondContact O-N 2.91Å
661I32.3Very low30.9Very low154 Ų154149.6 Ų149.679%0.7978%0.783SS**  trans-77.786.3-178.1-56178.3000109.5
662L27.5Very low31.1Very low168 Ų168149.1 Ų149.188%0.8878%0.777SS**  trans-94.7136.5156.5-16081.2000108N660N660-L662 PolarHBondContact O-N 2.91Å
663N31.5Very low30.8Very low123 Ų123148.8 Ų148.866%0.65877%0.77SS**  trans-146.2130175.5-155.57.6000113.2
664N33.6Very low30.9Very low119 Ų119149.3 Ų149.364%0.63677%0.769SS**  trans69.3144173.9-48.9-63.6000118
665N35.3Very low31Very low128 Ų128147.9 Ų147.968%0.68477%0.766SS**  cis-172.3153.7-18.9-92.2-19.3000105.6
666L33.4Very low30.9Very low119 Ų119147.4 Ų147.462%0.62376%0.763SS**  cis-145.8146.1-7.2-132.476.3000105.2
667W29.2Very low30.8Very low216 Ų216148.7 Ų148.782%0.81876%0.761SS**  48.9141.198.3-63.3-12.3000117.7
668N31.6Very low30.7Very low133 Ų133143.4 Ų143.471%0.71176%0.756SS**  cis-148158.17.4-111.2-13000112.7
669N29Very low30.6Very low159 Ų159144 Ų14485%0.8575%0.752SS**  trans-130.5117.6165-115.8-3.4000107.5
670E30.9Very low30.4Very low184 Ų184141.9 Ų141.986%0.8674%0.744SS**  trans-175.1117.2161.6-116.4170.8-137.900111.4
671T34.2Very low30.3Very low128 Ų128143.2 Ų143.279%0.78575%0.745SS**  173.2143.6122.628.50000112.1
672M30.8Very low30Very low154 Ų154140 Ų14076%0.75974%0.737SS**  trans38.7111.1151.4-56.9-53.8167.800119.3
673N28.8Very low30Very low134 Ų134138.6 Ų138.672%0.71773%0.729SS**  78.3143.973.9-92.2-37.5000115.8
674Q30.7Very low29.8Very low161 Ų161138.3 Ų138.375%0.75273%0.727SS**  trans84.1129.1151.5-79.2170.422.300121.8
675I32.6Very low29.6Very low137 Ų137140 Ų14070%0.70373%0.728SS**  trans81.795.3139.4-64.4167.2000117.8
676D27.4Very low29.4Very low132 Ų132140.8 Ų140.871%0.70673%0.728SS**  56.6116.3125.8-81.6-72.8000123.1
677S27.9Very low29.3Very low96 Ų96140.6 Ų140.667%0.67172%0.724SS**  62.1124.3112-56.80000121.4
678S27.3Very low29.6Very low108 Ų108138.9 Ų138.976%0.75572%0.719SS**  trans102.3158.2137.884.80000119.6
679L28.5Very low29.7Very low139 Ų139138.4 Ų138.473%0.72872%0.716SS**  trans63.9105.9169.3-89.757.8000118.8
680N25.4Very low30.1Very low132 Ų132135.3 Ų135.371%0.70670%0.703SS**  39.7146.5103-62.2-26.8000119.9
681Q28.1Very low30.4Very low183 Ų183131.8 Ų131.886%0.85569%0.694SS**  trans71.3150.8164.7-63.6161.529.400114.2
682S26.9Very low30.5Very low88 Ų88133.2 Ų133.262%0.61569%0.692SS**  cis-168.6160.5-21.453.80000110
683I27.2Very low30.8Very low138 Ų138131.7 Ų131.771%0.70869%0.686SS**  trans47.1125135.1-65167.8000118.4
684D27.5Very low31.2Very low117 Ų117131.3 Ų131.363%0.62668%0.684SS**  trans69.4160.1155.9-69.8-2.8000118.3
685K29.8Very low31.5Very low153 Ų153129.2 Ų129.267%0.66568%0.682SS**  cis-170.3-167.8-27.2-103.2177.6-174.788.60104.6
686E30.6Very low31.7Very low146 Ų146130.6 Ų130.668%0.68269%0.688SS**  trans83.1136148.4-53.9-149.6150.900117.8
687Q31.7Very low32.1Very low114 Ų114130.3 Ų130.353%0.53369%0.686SS.*  cis-166.9-167-19.3-123.2173.446.300109
688Y35.5Very low32.2Very low180 Ų180135.7 Ų135.771%0.70669%0.693SS**  trans78.3135.7159-56.7-70.6000117.6
689N34.1Very low32.7Very low123 Ų123135 Ų13566%0.65869%0.687SS**  cis-172.8164.3-20.9-125.225000108.5
690T35.9Very low32.8Very low94 Ų94138.1 Ų138.158%0.57769%0.69SS**  cis-159.3178.2-6.1-12.20000108.5
691T36.7Very low33.1Very low110 Ų110141.7 Ų141.768%0.67570%0.695SS**  trans60.6140.6145.954.90000119.7
692E36.6Very low33.1Very low159 Ų159137 Ų13774%0.74368%0.682SS**  cis-172.1164.5-0.1-111-168.5-111.800107.6
693I38.8Very low33.4Very low121 Ų121140 Ų14062%0.62169%0.691SS**  cis-161.5-167.8-16.8-150.6175.1000108.6
694N36.4Very low34.1Very low126 Ų126138.2 Ų138.267%0.67469%0.689SS**  trans75.3100.7172.6-69.7-36.5000117.5
695T36.3Very low34.1Very low117 Ų117139.6 Ų139.672%0.71870%0.695SS**  78.5133.561.169.50000112.7
696M36.9Very low34.1Very low166 Ų166140.1 Ų140.182%0.81870%0.698SS**  cis-138167.31.8-74.8-165.5-71.700108.6
697N35.7Very low34.1Very low127 Ų127138.5 Ų138.568%0.67970%0.698SS**  cis-141.5167.31.4-101.5-17.1000107.4
698Y31.1Very low34.1Very low208 Ų208138.3 Ų138.382%0.81671%0.705SS**  cis95.3141.530.9-83.6-105.9000115.9
699P37.5Very low33.9Very low95 Ų95135.8 Ų135.862%0.61771%0.709SS**  -150.9-157.6-118.141.6-17.6000116.5
700Y29.9Very low34Very low203 Ų203134.5 Ų134.580%0.79671%0.709SS**  trans80.4162.2148.2-106.6-104.5000121.8
701Y31.5Very low33.9Very low208 Ų208137.6 Ų137.682%0.81672%0.721SS**  trans89.1145.9162.6-91-77.9000123.4
702S28.8Very low33.9Very low84 Ų84137.2 Ų137.259%0.58772%0.721SS**  trans-83.5167-159.7-360000117.8
703D32.3Very low33.7Very low151 Ų151134.2 Ų134.281%0.80772%0.717SS**  trans63.3174150.3-65.7-34.4000117.2
704P42.3Very low33.4Very low100 Ų100136 Ų13665%0.64973%0.727SS**  -134-173.4-62.241.3-27.8000113.3
705L29Very low33.5Very low146 Ų146135 Ų13576%0.76473%0.728SS**  trans74.1163.1155.4-70.6169.1000121
706F29.8Very low33.1Very low164 Ų164135.1 Ų135.172%0.71973%0.733SS**  trans65.889.9154.6-79.6-66.8000121.9
707T30.1Very low33Very low113 Ų113132.6 Ų132.669%0.69373%0.732SS**  73.2161.4121.950.40000120.4
708T30.7Very low32.8Very low109 Ų109131.6 Ų131.667%0.66974%0.735SS**  cis-152.914812-16.20000111.9
709T31.6Very low33.1Very low128 Ų128126.7 Ų126.779%0.78573%0.729SS**  trans50.314415343.90000120.9
710S36.6Very low32.7Very low95 Ų95126.9 Ų126.966%0.66473%0.732SS**  cis-159.9134.6-3.942.30000107
711L34.2Very low32.6Very low159 Ų159122.3 Ų122.383%0.83273%0.73SS**  52.2143.979.1-87.285.7000115.2
712P35.9Very low32.6Very low102 Ų102119.9 Ų119.966%0.66273%0.729SS**  cis-143.2177-12.937.6-17.7000116.7
713S33.1Very low32.5Very low96 Ų96121.8 Ų121.867%0.67174%0.738SS**  trans60135.7147.655.60000120.6
714L31.9Very low32.5Very low160 Ų160121.7 Ų121.784%0.83873%0.734SS**  61.2149.954.4-83.583.2000114.9
715P37.8Very low31.8Very low105 Ų105122.9 Ų122.968%0.68274%0.74SS**  cis-138.1-174.3-28.739.6-22.6000113.6
716S28.5Very low32Very low119 Ų119121.9 Ų121.983%0.83274%0.74SS**  trans69.7162.2168.485.80000115.5
717S34.4Very low31.9Very low113 Ų113119.8 Ų119.879%0.7974%0.74SS**  cis-143.9171.75.552.40000111.7
718S31Very low32Very low106 Ų106121.8 Ų121.874%0.74175%0.746SS**  trans-99.9-178.8171.366.70000110
719P38.2Very low31.8Very low105 Ų105126.2 Ų126.268%0.68275%0.751SS**  cis-136.5-166.8-4.834.5-12.2000114.4
720S29Very low32Very low98 Ų98129.2 Ų129.269%0.68576%0.756SS**  trans75.4135.5141.455.90000122.6
721S27Very low31.6Very low107 Ų107132.9 Ų132.975%0.74876%0.762SS**  trans55.1117.7151.956.90000120.3
722I32.7Very low31.6Very low157 Ų157131 Ų13181%0.80576%0.762SS**  -156.6139.5109.3-100153.1000109.6M724I722-M724 HydrophobicContact CG2-CG 4.06Å
723T26.5Very low31.5Very low125 Ų125131.7 Ų131.777%0.76777%0.77SS**  trans-89.6128.6174-54.10000109.4
724M31.7Very low31.5Very low149 Ų149134 Ų13473%0.73477%0.774SS**  trans-134.293.9166.7-78-59.1-64.600111I722 T726I722-M724 HydrophobicContact CG2-CG 4.06Å; M724-T726 HydrophobicContact CE-CG2 4.49Å
725T27.7Very low31.8Very low125 Ų125131.9 Ų131.977%0.76777%0.77SS**  trans-75.9117.216210.30000109.2
726T33.1Very low31.4Very low125 Ų125133.8 Ų133.877%0.76777%0.767SS**  trans-111.3126.3168.3440000110M724M724-T726 HydrophobicContact CE-CG2 4.49Å
727V28.6Very low31.6Very low120 Ų120137 Ų13773%0.72776%0.761SS**  trans-113.6124.8-178.9176.40000109.2
728N31.8Very low31.5Very low154 Ų154137.2 Ų137.282%0.82475%0.754SS**  trans-154.3118.4154.4-89-41.6000107.1
729R27.5Very low31.3Very low203 Ų203137.5 Ų137.577%0.76676%0.756SS**  76.490.663.5-80.7-167.6163.6-163.8-1.2114.4
730H34Very low31Very low191 Ų191139.9 Ų139.988%0.88476%0.761SS**  trans-159.6121.6141.9-82.8-75000105.1
731Q29.4Very low31Very low172 Ų172142 Ų14280%0.80476%0.76SS**  cis100.176.214.9-156.5-179.212.200115.9
732S33.1Very low31.1Very low118 Ų118142.8 Ų142.883%0.82576%0.756SS**  trans-176.9151.7156.139.20000108.1
733S34.6Very low30.9Very low118 Ų118142.5 Ų142.583%0.82576%0.755SS**  cis-154.5156.3-13.342.20000111
734L33.2Very low31.1Very low144 Ų144143 Ų14375%0.75475%0.753SS**  trans-90.5174.9175.2-83.9172.3000110.8F736L734-F736 HydrophobicContact CD2-CD2 4.35Å
735P37.4Very low30.9Very low116 Ų116139.8 Ų139.875%0.75375%0.746SS**  cis-135178.934.829-3.5000116.7
736F29.7Very low30.9Very low144 Ų144144.3 Ų144.363%0.63275%0.75SS**  cis115.4157.811.7-134.3-85.8000113.8L734L734-F736 HydrophobicContact CD2-CD2 4.35Å
737W32.8Very low30.6Very low186 Ų186142.5 Ų142.571%0.70574%0.743SS**  trans100.591171.1-66.784.8000121.3
738N32.6Very low30.5Very low118 Ų118143.5 Ų143.563%0.63174%0.743SS**  74.2147.2116.5-68.527.2000125.3
739S26.8Very low30.4Very low112 Ų112141.2 Ų141.278%0.78374%0.735SS**  trans-97.1169.3174.9-36.90000112.9
740I31.1Very low30.6Very low155 Ų155138 Ų13880%0.79573%0.728SS**  trans151.4136.5157.5-87.1160.2000103.9
741Q28.9Very low30.6Very low142 Ų142135.4 Ų135.466%0.66472%0.716SS**  cis177.3177-7.1-110.1-177-97.700104
742D30.9Very low30.7Very low124 Ų124133.4 Ų133.466%0.66371%0.711SS**  trans62.5124.7158.6-52.9-18.7000117.4
743L27.6Very low30.6Very low151 Ų151131.3 Ų131.379%0.79170%0.696SS**  cis100.6150.345.9-88165.3000112.7
744D31.2Very low30.5Very low135 Ų135131.7 Ų131.772%0.72269%0.689SS**  trans63.2123.5-174.5-68.8-41.3000118.3
745S26.5Very low30.6Very low83 Ų83130.6 Ų130.658%0.5868%0.684SS**  cis95.9147.438.3-650000111.4
746Y28.7Very low30.4Very low219 Ų219134.4 Ų134.486%0.85969%0.685SS**  trans67.7141.8176.1-65.5-90.4000116.5
747S26.7Very low30.5Very low87 Ų87133.5 Ų133.561%0.60869%0.686SS**  cis-169.7-165.4-23.3-154.60000110
748L27.1Very low30.5Very low142 Ų142129.8 Ų129.874%0.74368%0.684SS**  trans48.3104.7146.8-67.4161.7000115.1
749T28.9Very low30.5Very low106 Ų106130.5 Ų130.565%0.6569%0.687SS**  152.9175.770.431.80000107.3
750H31.6Very low30.8Very low134 Ų134130.1 Ų130.162%0.6268%0.68SS**  cis-146.5169.26.5-117.7-63000107.6
751H33.6Very low30.9Very low138 Ų138130 Ų13064%0.63968%0.679SS**  trans37.4143.8142.5-63.9-38.9000120.8
752N31Very low31Very low130 Ų130129.9 Ų129.970%0.69568%0.682SS**  cis180169.74.9-106.4-2.2000104.4
753S31.8Very low30.9Very low73 Ų73128.3 Ų128.351%0.5168%0.681SS.*  cis-178.3166.4-9.949.40000106.4
754N32.4Very low31.1Very low127 Ų127127.2 Ų127.268%0.67968%0.681SS**  trans68.8134.1153.4-62-5.7000115.7
755N35.9Very low31Very low121 Ų121127.7 Ų127.765%0.64768%0.68SS**  cis-147.1138.110-97.2-12.8000108
756Y33.2Very low31.4Very low195 Ų195133.1 Ų133.177%0.76569%0.689SS**  68134.477-74.7-19.1000113.1
757I32.1Very low31.6Very low126 Ų126127 Ų12765%0.64668%0.679SS**  cis-167.6162.72.3-144.3163.2000112.7
758T32.5Very low32.2Very low108 Ų108127.8 Ų127.866%0.66368%0.684SS**  trans61.3154.6163.257.60000119.8
759N32.7Very low32.7Very low133 Ų133126.5 Ų126.571%0.71169%0.685SS**  cis-153.3134.9-14.9-105.7-19.9000108
760T33.6Very low33Very low103 Ų103128.4 Ų128.463%0.63269%0.691SS**  6687.484.9-44.90000112.6
761I31.7Very low33Very low152 Ų152132.9 Ų132.978%0.77970%0.702SS**  82.8152.674.2-59.1160.1000113.2
762I30.9Very low32.9Very low140 Ų140131.4 Ų131.472%0.71871%0.708SS**  trans93.4135.3171.6-52.3-173.6000116.2
763S29.4Very low33Very low92 Ų92132.1 Ų132.164%0.64371%0.711SS**  cis-166.3154.6-29.4-96.80000113.5
764T32Very low32.9Very low127 Ų127133.6 Ų133.678%0.77972%0.721SS**  trans10.6148.5149.163.50000123.6
765M29.8Very low33.3Very low146 Ų146133.1 Ų133.172%0.71973%0.725SS**  -160.5137.5129.6-114175.6-17600114.4
766Y33.9Very low33.1Very low196 Ų196132 Ų13277%0.76973%0.726SS**  trans55.9146.2162.6-57.2-58.7000120.3
767S34Very low33Very low91 Ų91129.8 Ų129.864%0.63673%0.726SS**  cis-154.7131.6-5.3-113.70000108.8
768S37.3Very low32.9Very low104 Ų104131.2 Ų131.273%0.72773%0.734SS**  83.2148.685.5-54.70000114.9
769P39.7Very low32.7Very low115 Ų115130.4 Ų130.475%0.74773%0.733SS**  cis-135.8178.5-42.539.8-24.1000113.7
770N33.3Very low32.6Very low146 Ų146129.6 Ų129.678%0.78174%0.738SS**  trans-79.1-168.7170-54.3-46.8000112
771W33.2Very low32.5Very low227 Ų227129 Ų12986%0.8674%0.738SS**  171.1149.3101-95.569.6000110.8
772S30.3Very low32.5Very low108 Ų108126.9 Ų126.976%0.75574%0.737SS**  trans-149.4147.9171.759.20000109.6
773L32.5Very low32.4Very low144 Ų144124.5 Ų124.575%0.75473%0.733SS**  trans-174.3113.7164.5-105.6157.8000111
774S30.8Very low32.4Very low105 Ų105127.9 Ų127.973%0.73474%0.743SS**  26167.6125.1-34.20000121.9
775P39.6Very low32.2Very low117 Ų117126.3 Ų126.376%0.7674%0.736SS**  -131.8-173.5-9336.3-15.9000113.2
776S33.2Very low32.4Very low96 Ų96124.5 Ų124.567%0.67174%0.738SS**  trans151.4119.8131.5-710000117.1
777I30.8Very low32.3Very low150 Ų150120 Ų12077%0.76974%0.736SS**  trans67.5149.5138-43.9161000119.2
778L30.3Very low32.2Very low155 Ų155120.7 Ų120.781%0.81274%0.74SS**  trans65.4116.5178.8-63.1116000115.4
779S27.8Very low32Very low91 Ų91121.3 Ų121.364%0.63674%0.739SS**  cis109.6144.122.369.10000111.7
780S30.6Very low31.6Very low116 Ų116120.1 Ų120.181%0.81173%0.734SS**  trans67.7148.6-177.779.60000114.7
781S31.1Very low31.6Very low92 Ų92123.1 Ų123.164%0.64374%0.736SS**  cis-170.6161.1-23.547.70000108.7
782S31.4Very low31.6Very low107 Ų107116.4 Ų116.475%0.74872%0.724SS**  trans61158.4156.646.20000118.3
783S29.6Very low32Very low90 Ų90118 Ų11863%0.62972%0.724SS**  cis-172.2163.2-27.857.40000107.9
784L29.8Very low31.9Very low163 Ų163116.5 Ų116.585%0.85372%0.724SS**  trans65.1162.9161.2-60.9163.1000115.9
785S28.2Very low32.3Very low93 Ų93117 Ų11765%0.6572%0.722SS**  cis-167.7-178.5-30.860.40000109.5
786S32.3Very low32.1Very low108 Ų108117.4 Ų117.476%0.75572%0.723SS**  trans75.7153.7163.196.90000115.5
787S33.4Very low32.2Very low103 Ų103118.2 Ų118.272%0.7273%0.728SS**  cis-143.8165.14.4-74.70000113.1
788S30.1Very low32.5Very low104 Ų104115.1 Ų115.173%0.72772%0.724SS**  trans-39.8159161.648.90000116.1
789V34.1Very low32.8Very low117 Ų117115.1 Ų115.171%0.70972%0.724SS**  -173.6122.473.8159.80000105.7
790S30.1Very low33.2Very low90 Ų90115 Ų11563%0.62972%0.723SS**  94.6163.454.690.20000114.9
791Y34.2Very low33.5Very low210 Ų210117.2 Ų117.282%0.82473%0.725SS**  trans75.2149.6-170.9-62-89.7000118
792S33.4Very low33.8Very low86 Ų86117.9 Ų117.960%0.60173%0.727SS**  -175163-59.851.90000111.8
793N37.8Very low34Very low142 Ų142117.6 Ų117.676%0.75973%0.725SS**  trans114.8113.8169.7-59.3-10.3000111.4
794C32.2Very low34.2Very low112 Ų112121.2 Ų121.276%0.75774%0.737SS**  66.5133.455.8-63.60000112.7
795T37.4Very low34.6Very low115 Ų115118.2 Ų118.271%0.70673%0.727SS**  cis-158.3147.817.6-15.80000112
796T36.3Very low34.8Very low125 Ų125118.8 Ų118.877%0.76773%0.731SS**  trans39.8150.4145.148.90000122
797C35.5Very low34.8Very low114 Ų114117.9 Ų117.977%0.7773%0.725SS**  cis-164.2160.126.6-143.50000113.1
798A37.2Very low34.6Very low84 Ų84120.8 Ų120.869%0.69473%0.731SS**  trans60.1145.4150.900000120.4
799L36.4Very low34.7Very low155 Ų155119.9 Ų119.981%0.81273%0.725SS**  cis-162.3151.8-8.7-116.6172.3000110.3
800S36.1Very low34.3Very low88 Ų88121.8 Ų121.862%0.61573%0.73SS**  trans26.9142.714957.50000122.6
801L36.9Very low34.3Very low164 Ų164128.2 Ų128.286%0.85974%0.742SS**  cis-157.9168.63.8-134.783.4000108.8
802P37.6Very low34Very low106 Ų106122.7 Ų122.769%0.68873%0.734SS**  trans-114.8-155.9-166.844.9-36.5000114.9
803S35.1Very low33.8Very low100 Ų100123.9 Ų123.970%0.69974%0.738SS**  trans77.4150.9157.959.60000119.3
804L35.1Very low33.3Very low167 Ų167124.1 Ų124.187%0.87474%0.739SS**  cis-145.2179.2-8.3-132.984.6000107.6
805P37.4Very low33.4Very low100 Ų100127.1 Ų127.165%0.64975%0.746SS**  trans-123.2-159.2-160.744.6-34.2000115.3
806S31.5Very low32.9Very low105 Ų105126.6 Ų126.673%0.73475%0.747SS**  trans67.8154.7156.344.40000118.6
807S33.2Very low32.8Very low89 Ų89130.6 Ų130.662%0.62275%0.754SS**  cis-176.5158.1-16.953.40000110
808L29.2Very low32.4Very low163 Ų163129.9 Ų129.985%0.85375%0.75SS**  trans66.4160.2158.5-66.5161.2000115.7
809S31.1Very low32.3Very low86 Ų86136 Ų13660%0.60176%0.762SS**  cis-165.6141.5-15.745.90000112.6
810L27Very low31.8Very low157 Ų157135.9 Ų135.982%0.82276%0.762SS**  trans54.8169.1141.1-68.6170.1000121.8
811Y30.2Very low31.7Very low225 Ų225141.6 Ų141.688%0.88278%0.775SS**  trans72.5147.5-178.7-67.3-90.2000117.3
812S27.9Very low31.2Very low94 Ų94142.1 Ų142.166%0.65777%0.773SS**  175.6164-61.3-178.50000108.6
813T29.1Very low30.9Very low111 Ų111145 Ų14568%0.68178%0.781SS**  trans60.9113.5169480000120.1
814N27.9Very low30.5Very low146 Ų146146 Ų14678%0.78178%0.783SS**  52.1124.4126.3-52.4-20.2000121
815I33.2Very low30.4Very low175 Ų175143.6 Ų143.690%0.89778%0.78SS**  -161.5147.3108.9-100.8156.1000109.6
816S27.6Very low29.8Very low104 Ų104146.2 Ų146.273%0.72779%0.789SS**  trans-116.6142.2175.255.90000111.2
817K33Very low29.8Very low210 Ų210146.9 Ų146.991%0.91379%0.793SS**  trans-169.6151.3144.5-108157.2-171.5177.60112.9
818S28.5Very low29.5Very low98 Ų98149.1 Ų149.169%0.68580%0.803SS**  trans-80.9157.4179.552.80000113.2
819F33.5Very low29.6Very low214 Ų214150.2 Ų150.294%0.93980%0.804SS**  trans-137.7131.4146.1-114.4-81.9000111.5
820N27.2Very low29.4Very low152 Ų152152.6 Ų152.681%0.81382%0.815SS**  trans-88.9147.7170.1-87-42.6000110
821K32.5Very low29.6Very low208 Ų208152.5 Ų152.590%0.90481%0.813SS**  trans-154.1138137.4-125.7178.1-177.6-177.90112.2
822Q27.2Very low29.4Very low175 Ų175148.7 Ų148.782%0.81880%0.804SS**  trans-78154.9171.5-59.4151.6-61.800110.1
823I31.2Very low29.3Very low167 Ų167150.4 Ų150.486%0.85681%0.814SS**  trans-153142.8133.9-97.9145.5000106.4
824V27.3Very low29.3Very low119 Ų119151.1 Ų151.172%0.72181%0.814SS**  trans-117.5139-179.8174.60000108.4
825S31.8Very low29.3Very low117 Ų117148.8 Ų148.882%0.81881%0.807SS**  trans-157.1141.3158.8-79.20000109.4
826N26.1Very low29.1Very low156 Ų156149.3 Ų149.383%0.83481%0.81SS**  trans-87.1144.1-177-63.7-22.6000111.7
827S32Very low29.1Very low119 Ų119149.9 Ų149.983%0.83281%0.81SS**  trans-147.6115.6150.456.40000108.8
828T26.9Very low28.7Very low135 Ų135146.6 Ų146.683%0.82881%0.807SS**  trans-84.2122178.645.40000110.9
829E31.3Very low28.6Very low186 Ų186147.7 Ų147.787%0.86982%0.815SS**  trans-129142.3153.9-71.2-164.2147.300109.3
830V25.4Very low28.3Very low137 Ų137145.4 Ų145.483%0.8381%0.811SS**  trans-117.6115.1-173.4175.20000108.1
831I30.9Very low28.3Very low154 Ų154143.6 Ų143.679%0.7981%0.811SS**  trans-115.287.2169.9-58-176.2000108.5
832Q26.6Very low28Very low146 Ų146140.7 Ų140.768%0.68281%0.805SS**  trans17.7113.6143.9-170.1169-25.800117.4D834Q832-D834 PolarHBondContact NE2-OD1 3.09Å
833C25.2Very low28Very low129 Ų129140.1 Ų140.187%0.87281%0.807SS**PPolyproline II helixtrans-99.5121.9157.8-64.80000108.1
834D29.9Very low27.7Very low127 Ų127139.8 Ų139.868%0.67981%0.807SS**PPolyproline II helixtrans-75.6147-179.4-70.7-38.2000112.5Q832Q832-D834 PolarHBondContact NE2-OD1 3.09Å
835P28.5Very low27.7Very low97 Ų97137.5 Ų137.563%0.6381%0.807SS**PPolyproline II helixtrans-88.7141.6-168.634.5-35.9000113.9T837P835-T837 HydrophobicContact CB-CG2 4.29Å; P835-T837 HydrophobicContact CG-CG2 4.29Å; P835-T837 PolarHBondContact O-N 3.48Å; P835-T837 VanDerWaalsContact O-N 3.13Å
836L27.8Very low27.4Very low186 Ų186139.5 Ų139.597%0.97481%0.809SS**  trans-80.980.6163.2-82.7165.4000110.2
837T28.4Very low27.4Very low116 Ų116141 Ų14171%0.71281%0.811SS**  trans-80.3119.4174.838.30000112.2P835P835-T837 HydrophobicContact CB-CG2 4.29Å; P835-T837 HydrophobicContact CG-CG2 4.29Å; P835-T837 PolarHBondContact O-N 3.48Å; P835-T837 VanDerWaalsContact O-N 3.13Å
838T24.3Very low27.1Very low141 Ų141139.9 Ų139.987%0.86580%0.803SS**  trans-81.4125.316450.50000110.7
839S27.2Very low27Very low120 Ų120142.7 Ų142.784%0.83980%0.804SS**  trans-149.7156.6157.459.90000111.2
840L26.8Very low26.7Very low166 Ų166142.9 Ų142.987%0.86980%0.802SS**  trans-119.2129.8-168.1-179.281.6000109.7
841S27.4Very low26.7Very low114 Ų114143.7 Ų143.780%0.79780%0.8SS**  trans-157136.9163.2430000112.2
842N25.9Very low26.5Very low147 Ų147144.4 Ų144.479%0.78680%0.8SS**  trans-81.5151.9168.6-55.6-62.4000109.5
843L26.5Very low26.4Very low163 Ų163146.7 Ų146.785%0.85380%0.804SS**  -172.4166.1109.8-101.5163.2000112.8
844N26.4Very low26.6Very low160 Ų160147.6 Ų147.686%0.85680%0.8SS**  trans-81.9150.3-172.8-58.4-40.6000112.7
845G26.2Very low26.5Very low71 Ų71147.7 Ų147.773%0.73280%0.801SS**  trans-159.4129161.100000109
846N25.5Very low26.5Very low159 Ų159149 Ų14985%0.8581%0.811SS**  trans-74.9165.4173.5-53.5-52.3000108.5
847E26.5Very low26.6Very low189 Ų189144.1 Ų144.188%0.88379%0.792SS**  -143.715271.4-84.9-174.9167.200116.3
848S24.7Very low26.5Very low95 Ų95148.8 Ų148.866%0.66480%0.798SS**  trans-61.5143.4179.948.60000116
849F25.7Very low26.8Very low194 Ų194149.4 Ų149.485%0.85180%0.796SS**  trans-127.9111.9140.9-91.9-84.9000111.5
850F24.5Very low26.7Very low190 Ų190151 Ų15183%0.83380%0.795SS**  trans15.4103.2162.1-68.8-93.4000119.4
851I26Very low26.9Very low153 Ų153152.8 Ų152.879%0.78580%0.796SS**  trans-105.6120.9143.9-64.1178.8000107.5Y853I851-Y853 PolarHBondContact O-N 2.96Å
852Q27.2Very low27.1Very low170 Ų170152.4 Ų152.479%0.79479%0.79SS**  trans-76.9103.3179.7-175.7176-300110.4
853Y23.7Very low27.3Very low193 Ų193150.6 Ų150.676%0.75778%0.775SS**  trans-63.2142.4168-84.8-101000111I851I851-Y853 PolarHBondContact O-N 2.96Å
854N30.5Very low27.4Very low149 Ų149151.9 Ų151.980%0.79777%0.77SS**  trans-127.7133.3154.3-100.4-36.6000108.4
855N26.3Very low27.5Very low129 Ų129152.2 Ų152.269%0.6977%0.771SS**  trans-88.1148-168-65.7-56.4000113
856C29Very low27.5Very low124 Ų124153.3 Ų153.384%0.83877%0.767SS**  -167123.8118.5-97.30000107.4
857S29.1Very low27.5Very low84 Ų84150.4 Ų150.459%0.58776%0.76SS**  cis69.2125.345.5-49.60000112.7
858Y26.6Very low27.4Very low214 Ų214146.1 Ų146.184%0.83975%0.75SS**  cis-164.4-176.4-5.3-137.2-85.4000110
859L30.4Very low27.6Very low154 Ų154151.2 Ų151.281%0.80676%0.756SS**  trans88.191.4158.6-69158.7000120
860N26.6Very low27.6Very low154 Ų154147.4 Ų147.482%0.82475%0.745SS**  trans-67.8153145.6-78.1-37.1000111.9
861K30.3Very low27.9Very low203 Ų203146.5 Ų146.588%0.88374%0.743SS**  -162.3147.4129.9-110.5166-174.71790112.6
862P31.9Very low27.9Very low105 Ų105149 Ų14968%0.68275%0.745SS**  trans-124.5172.6-163.542.9-29.8000116.2
863K28.8Very low28.1Very low109 Ų109146.8 Ų146.847%0.47475%0.745SS.*  trans69.2136.5170.6-46.4178.6-178.9-179.80114.7N252N252-K863 PolarHBondContact OD1-NZ 3.13Å
864Y29.1Very low28.4Very low191 Ų191145.6 Ų145.675%0.74975%0.746SS**  -168.7161.856.8-114-73.9000113.8
865L29.9Very low28.5Very low166 Ų166144.1 Ų144.187%0.86975%0.747SS**  trans68.3-179.7154.6-13465.3000118.3
866S24.5Very low28.7Very low94 Ų94143.3 Ų143.366%0.65775%0.747SS**  trans-135.7-175.7-150.358.10000112.9
867S26.1Very low28.8Very low99 Ų99145 Ų14569%0.69275%0.747SS**  trans77.2109.7165.4710000118.4
868S25.1Very low28.9Very low98 Ų98146.9 Ų146.969%0.68575%0.749SS**  64.5161.6129.760.30000121.9
869Y28.5Very low29.2Very low202 Ų202143.7 Ų143.779%0.79275%0.746SS**  trans73.1104.4172.2-68.6-77.8000118.7
870N26.7Very low29.3Very low115 Ų115140.4 Ų140.462%0.61574%0.737SS**  68.1126.6121.9-75.434.9000122.6
871E29.6Very low29.5Very low170 Ų170139.3 Ų139.379%0.79473%0.728SS**  trans78.9134.1131.4-66.2170.4121.600119.9
872Y27.1Very low29.6Very low207 Ų207138.7 Ų138.781%0.81272%0.721SS**  trans-67.1155.6171.8-98.1-101.6000111.2Q874Y872-Q874 HydrophobicContact CD1-CG 4.34Å
873P31.3Very low29.6Very low123 Ų123142.4 Ų142.480%0.79972%0.722SS**  -130.1149.612234-25.6000113.4
874Q29.4Very low29.8Very low167 Ų167143.1 Ų143.178%0.7873%0.727SS**  trans-94.8150.5170.5-68.2-177.6-11.500111.5Y872Y872-Q874 HydrophobicContact CD1-CG 4.34Å
875S32.7Very low30Very low118 Ų118140 Ų14083%0.82572%0.723SS**  trans-132.9105.8157.546.20000107.9
876V29.3Very low30.3Very low112 Ų112138.4 Ų138.468%0.67972%0.715SS**  79.410465.1175.60000113.3I878V876-I878 HydrophobicContact CG1-CD1 4.25Å; V876-I878 HydrophobicContact CG1-CG1 4.37Å
877L32.3Very low30.5Very low159 Ų159142.1 Ų142.183%0.83272%0.722SS**  trans-167.798.5150.7-95.6155.3000104.8
878I31.3Very low30.8Very low125 Ų125142 Ų14264%0.64172%0.721SS**  61.3119.181.1-60.2168.3000109.9V876V876-I878 HydrophobicContact CG1-CD1 4.25Å; V876-I878 HydrophobicContact CG1-CG1 4.37Å
879N32.3Very low31.1Very low146 Ų146144 Ų14478%0.78173%0.725SS**  cis-156.9173.38.3-116.1-3.5000107.8
880S32.6Very low31.3Very low86 Ų86140.3 Ų140.360%0.60173%0.725SS**  cis-171-170.8-853.10000106.2
881M30.2Very low31.6Very low130 Ų130141.2 Ų141.264%0.6474%0.735SS**  cis-164.3172.84.4-147.8-169.5-53.500108.7
882Y33.1Very low31.6Very low191 Ų191140.7 Ų140.775%0.74973%0.732SS**  trans66.2134.8170.9-60.5-67.9000117.1
883R32Very low31.9Very low183 Ų183140.5 Ų140.569%0.69174%0.736SS**  cis-164.5149.5-12-142.3-177.2-175.3-136.9-2.4110.2
884E33.7Very low31.7Very low123 Ų123140.1 Ų140.158%0.57573%0.727SS**  trans41.9141.5141.9-78.6155.4-149.600121.8
885N32.1Very low31.9Very low125 Ų125138.8 Ų138.867%0.66873%0.726SS**  cis-170.6-178.5-12.5-134.154.8000110.6
886D35.9Very low32Very low133 Ų133139.5 Ų139.571%0.71172%0.719SS**  trans66.2155.4159.4-47.5-25.8000119.7
887E30.4Very low32.2Very low173 Ų173140.7 Ų140.781%0.80872%0.721SS**  -178.1152-60.2-107.7-160.6170.800109.8
888S31.3Very low32.3Very low95 Ų95139.9 Ų139.966%0.66472%0.718SS**  trans84.7142.7149.483.10000123.4
889N31.7Very low32.3Very low142 Ų142142.1 Ų142.176%0.75973%0.726SS**  trans76.1104.4148.3-61.2-29.1000122.3
890P32.9Very low32.4Very low124 Ų124141.5 Ų141.581%0.80572%0.721SS**  trans-88.6155.215136.8-31.7000111.9
891V32.8Very low32.2Very low134 Ų134140.3 Ų140.381%0.81271%0.712SS**  trans-138138.1170178.80000109.8
892Q28.6Very low32.3Very low159 Ų159139.9 Ų139.974%0.74371%0.708SS**  trans-81.1152.6178.3-60.8170.8-85.200112.1
893F33.2Very low32.2Very low202 Ų202135.9 Ų135.989%0.88671%0.708SS**  trans-137.8117.4144.6-97-83.2000109
894N28.1Very low32.2Very low115 Ų115133.6 Ų133.662%0.61571%0.714SS**  trans-77.9156.5159.8-62-9.7000108.1
895D34.3Very low32.2Very low140 Ų140133.5 Ų133.575%0.74972%0.724SS**  171.3159.192.5-105-33.8000114.7
896I34.9Very low32.2Very low133 Ų133137 Ų13768%0.68274%0.737SS**  trans75.586.7152.9-66.7158.6000119
897N33.5Very low31.9Very low137 Ų137139 Ų13973%0.73374%0.742SS**  85.9144.4114.1-64.71.2000124.9
898N33.3Very low31.9Very low141 Ų141136.4 Ų136.475%0.75474%0.743SS**  trans81.482.6153.4-66.313.2000121.2
899E31.8Very low31.8Very low173 Ų173137.5 Ų137.581%0.80875%0.745SS**  24.8127.7119.6-49.8179.7146.600120.9
900I33.1Very low31.7Very low132 Ų132140.6 Ų140.668%0.67775%0.748SS**  175.397.9107.3-82162.8000110.9
901C29.8Very low31.6Very low61 Ų61140.9 Ų140.941%0.41274%0.741SS.*  trans8.6159.8151.9-58.50000127.5F643 Y644F643-C901 HydrophobicContact CE1-CB 3.56Å; F643-C901 VanDerWaalsContact CE1-SG 3.6Å; F643-C901 HydrophobicContact CZ-CB 3.92Å; Y644-C901 PolarHBondContact OH-SG 3.5Å
902H32.4Very low31.5Very low122 Ų122140.1 Ų140.157%0.56573%0.733SS**  trans68.6103.8153.7-56.8-51.4000121.4F643F643-H902 AromaticContact CD1-NE2 3.41Å; F643-H902 WeakPolarHBondContact CD1-NE2 3.11Å; F643-H902 AromaticContact CE1-CD2 3.83Å; F643-H902 AromaticContact CE1-NE2 3.46Å; F643-H902 WeakPolarHBondContact CE1-NE2 3.4Å
903S30.6Very low31.7Very low106 Ų106138.9 Ų138.974%0.74173%0.731SS**  163.8138.9102.2-73.90000115.7
904T32.2Very low31.7Very low136 Ų136139.1 Ų139.183%0.83473%0.728SS**  trans56.7147.2153.748.10000122.1
905P33.6Very low31.9Very low121 Ų121141 Ų14179%0.78673%0.733SS**PPolyproline II helixtrans-88.7144.8-167.334.7-36.2000114.5Q907P905-Q907 PolarHBondContact O-N 3.35Å
906Q31.6Very low31.8Very low199 Ų199144.8 Ų144.893%0.9374%0.738SS**PPolyproline II helixtrans-71.1123.2169.9-68.8-174-8.100111.3
907Q29.9Very low31.6Very low175 Ų175146.6 Ų146.682%0.81874%0.737SS**PPolyproline II helixtrans-74129.5168.9-71.6-176.4-21.400110.5P905 T909P905-Q907 PolarHBondContact O-N 3.35Å; Q907-T909 PolarHBondContact O-N 2.77Å
908S29.7Very low31.5Very low118 Ų118149.7 Ų149.783%0.82574%0.74SS**  trans-72.892.5169.442.70000110.9Y910S908-Y910 PolarHBondContact O-N 2.88Å
909T30.1Very low31.3Very low117 Ų117149.7 Ų149.772%0.71873%0.73SS**  trans-7286.9175.127.80000111.8Q907 I911Q907-T909 PolarHBondContact O-N 2.77Å; T909-I911 PolarHBondContact O-N 3.27Å
910Y30.6Very low31.2Very low207 Ų207151.5 Ų151.581%0.81273%0.731SS**  trans-70.2113166.1-120.8-93.9000110.2S908S908-Y910 PolarHBondContact O-N 2.88Å
911I30Very low31.1Very low130 Ų130153.3 Ų153.367%0.66773%0.731SS**  trans-98.192.3176.9-58.5174.3000108.3T909 D913T909-I911 PolarHBondContact O-N 3.27Å; I911-D913 PolarHBondContact O-N 3.46Å
912D31.3Very low31.2Very low119 Ų119160.9 Ų160.964%0.63675%0.753SS**  trans-87.681.6172.9-90.1-33.9000111.3Y914D912-Y914 HydrophobicContact CB-CD2 4.3Å; D912-Y914 PolarHBondContact O-N 3.45Å
913D31.2Very low31.1Very low133 Ų133159.9 Ų159.971%0.71176%0.759SS**  trans-71.683.8170.4-94.6-39.6000111.6I911I911-D913 PolarHBondContact O-N 3.46Å
914Y33.6Very low31.1Very low207 Ų207160 Ų16081%0.81275%0.751SS**  trans-109.1101.1174.1-84.3-78.9000114.3D912D912-Y914 HydrophobicContact CB-CD2 4.3Å; D912-Y914 PolarHBondContact O-N 3.45Å
915H33.1Very low31.1Very low155 Ų155159 Ų15972%0.71875%0.747SS**  trans-53.6148.4178.6-93.6-119.5000115.2Y917H915-Y917 HydrophobicContact CB-CD2 4.21Å; H915-Y917 HydrophobicContact CB-CE2 4.18Å; H915-Y917 PolarHBondContact O-N 3.27Å
916Y30.9Very low31Very low218 Ų218159 Ų15986%0.85575%0.749SS**  trans-57.393.9167.3-98.4-100.7000112.6
917Y31.5Very low30.8Very low171 Ų171157.8 Ų157.867%0.67175%0.748SS**  trans-94.596.6173.6-95.4-83.7000113.1H915 Y919H915-Y917 HydrophobicContact CB-CD2 4.21Å; H915-Y917 HydrophobicContact CB-CE2 4.18Å; H915-Y917 PolarHBondContact O-N 3.27Å; Y917-Y919 AromaticContact CD1-CD2 3.88Å; Y917-Y919 HydrophobicContact CD1-CD2 3.88Å; Y917-Y919 HydrophobicContact CD1-CE1 4.41Å; Y917-Y919 AromaticContact CD1-CE2 3.29Å; Y917-Y919 HydrophobicContact CD1-CE2 3.29Å; Y917-Y919 AromaticContact CD1-CZ 3.6Å; Y917-Y919 HydrophobicContact CE1-CE2 4.04Å; Y917-Y919 AromaticContact CE1-CZ 3.95Å; Y917-Y919 HydrophobicContact CG-CD2 4.15Å; Y917-Y919 AromaticContact CG-CE2 3.73Å; Y917-Y919 HydrophobicContact CG-CE2 3.73Å; Y917-Y919 PolarHBondContact O-N 2.7Å
918Y30.7Very low30.8Very low202 Ų202154.6 Ų154.679%0.79275%0.745SS**  trans-71.571.7169.4-106.3-83.9000111.6Y920Y918-Y920 PolarHBondContact O-N 3.27Å
919Y30.6Very low31Very low141 Ų141154.4 Ų154.455%0.55373%0.734SS**  trans-75.792.8-177.8-93.8-60.6000114.1Y917 Y921Y917-Y919 AromaticContact CD1-CD2 3.88Å; Y917-Y919 HydrophobicContact CD1-CD2 3.88Å; Y917-Y919 HydrophobicContact CD1-CE1 4.41Å; Y917-Y919 AromaticContact CD1-CE2 3.29Å; Y917-Y919 HydrophobicContact CD1-CE2 3.29Å; Y917-Y919 AromaticContact CD1-CZ 3.6Å; Y917-Y919 HydrophobicContact CE1-CE2 4.04Å; Y917-Y919 AromaticContact CE1-CZ 3.95Å; Y917-Y919 HydrophobicContact CG-CD2 4.15Å; Y917-Y919 AromaticContact CG-CE2 3.73Å; Y917-Y919 HydrophobicContact CG-CE2 3.73Å; Y917-Y919 PolarHBondContact O-N 2.7Å; Y919-Y921 VanDerWaalsContact C-N 3.32Å; Y919-Y921 AromaticContact CD1-CD2 3.63Å; Y919-Y921 HydrophobicContact CD1-CD2 3.63Å; Y919-Y921 HydrophobicContact CD1-CE1 4.5Å; Y919-Y921 AromaticContact CD1-CE2 3.15Å; Y919-Y921 HydrophobicContact CD1-CE2 3.15Å; Y919-Y921 HydrophobicContact CD1-CG 4.47Å; Y919-Y921 AromaticContact CD1-CZ 3.65Å; Y919-Y921 HydrophobicContact CD2-CE2 4.18Å; Y919-Y921 HydrophobicContact CE1-CD2 4.4Å; Y919-Y921 AromaticContact CE1-CE2 3.5Å; Y919-Y921 HydrophobicContact CE1-CE2 3.5Å; Y919-Y921 AromaticContact CE1-CZ 3.57Å; Y919-Y921 WeakPolarHBondContact CE1-OH 3.27Å; Y919-Y921 HydrophobicContact CE2-CE2 4.46Å; Y919-Y921 AromaticContact CG-CD2 3.87Å; Y919-Y921 HydrophobicContact CG-CD2 3.87Å; Y919-Y921 AromaticContact CG-CE2 3.55Å; Y919-Y921 HydrophobicContact CG-CE2 3.55Å; Y919-Y921 PolarHBondContact O-N 2.62Å; Y919-Y921 VanDerWaalsContact O-N 3.12Å
920Y29.4Very low31.1Very low211 Ų211155.4 Ų155.483%0.82773%0.734SS**  trans-74.580.2157.5-94.2-91.6000110.4Y918 Y922Y918-Y920 PolarHBondContact O-N 3.27Å; Y920-Y922 PolarHBondContact O-N 3.42Å
921Y30.2Very low31.1Very low171 Ų171152.8 Ų152.867%0.67173%0.729SS**  trans-80.2104.7170.7-91.4-64.2000112Y919Y919-Y921 VanDerWaalsContact C-N 3.32Å; Y919-Y921 AromaticContact CD1-CD2 3.63Å; Y919-Y921 HydrophobicContact CD1-CD2 3.63Å; Y919-Y921 HydrophobicContact CD1-CE1 4.5Å; Y919-Y921 AromaticContact CD1-CE2 3.15Å; Y919-Y921 HydrophobicContact CD1-CE2 3.15Å; Y919-Y921 HydrophobicContact CD1-CG 4.47Å; Y919-Y921 AromaticContact CD1-CZ 3.65Å; Y919-Y921 HydrophobicContact CD2-CE2 4.18Å; Y919-Y921 HydrophobicContact CE1-CD2 4.4Å; Y919-Y921 AromaticContact CE1-CE2 3.5Å; Y919-Y921 HydrophobicContact CE1-CE2 3.5Å; Y919-Y921 AromaticContact CE1-CZ 3.57Å; Y919-Y921 WeakPolarHBondContact CE1-OH 3.27Å; Y919-Y921 HydrophobicContact CE2-CE2 4.46Å; Y919-Y921 AromaticContact CG-CD2 3.87Å; Y919-Y921 HydrophobicContact CG-CD2 3.87Å; Y919-Y921 AromaticContact CG-CE2 3.55Å; Y919-Y921 HydrophobicContact CG-CE2 3.55Å; Y919-Y921 PolarHBondContact O-N 2.62Å; Y919-Y921 VanDerWaalsContact O-N 3.12Å
922Y31.8Very low31.3Very low220 Ų220153.1 Ų153.186%0.86373%0.732SS**  trans-86108.6152.2-103.9-87.2000108.1Y920 N924Y920-Y922 PolarHBondContact O-N 3.42Å; Y922-N924 PolarHBondContact O-N 3.29Å
923S29.6Very low31.5Very low101 Ų101153.1 Ų153.171%0.70674%0.741SS**  trans-65.5125.9-179.7-48.50000111.9
924N31Very low32.1Very low108 Ų108158.3 Ų158.358%0.57877%0.766SS**  trans-168.9109.8149.2-116.1-103.6000109.6R577 Y922R577-N924 PolarHBondContact NH1-OD1 3.42Å; R577-N924 PolarHBondContact NH2-OD1 2.94Å; Y922-N924 PolarHBondContact O-N 3.29Å
925P33Very low32Very low114 Ų114155.9 Ų155.974%0.7476%0.764SS**  trans-87.8155-176.935.2-35.2000113
926C30.8Very low31.9Very low123 Ų123155.9 Ų155.983%0.83177%0.767SS**  trans-166.6111.4147.6-96.50000107.9
927L27.6Very low32Very low173 Ų173152.4 Ų152.491%0.90676%0.762SS**  trans-80.2150.2173-80149.2000110.9
928S29.4Very low32Very low108 Ų108151.4 Ų151.476%0.75577%0.767SS**  159.9164.9125.6510000112.7
929I33.5Very low32.1Very low114 Ų114148.2 Ų148.259%0.58577%0.765SS**  trans88.4101.7168.1-55.9174.9000116.1
930L33Very low32.2Very low138 Ų138148.7 Ų148.772%0.72378%0.78SS**  trans51.6125.4144-77.655.3000118.7
931E31.8Very low32.4Very low152 Ų152144.2 Ų144.271%0.7178%0.776SS**  cis89.4132.146.7-75.8-175.1136.900115
932N32.8Very low32.6Very low136 Ų136142.2 Ų142.273%0.72778%0.784SS**  trans76.5134.9152.9-57.7-23.8000121
933S36.1Very low32.6Very low119 Ų119135.7 Ų135.783%0.83278%0.778SS**  trans52.3139174.547.80000118.4
934I42.9Very low32.9Very low242 Ų242138.8 Ų138.8100%1.24178%0.784SS**  cis-113.509.8-63.2168.8000110.1

Retrieved 934 of 934 residues in 700.4 ms (Link to these results)