A0A087XUZ3_POEFO Loading...

Membrane-associated ring finger (C3HC4) 1

AlphaFold DB , UniProt , Accession A0A087XUZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 566 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.6Very low32.6Very low235 Ų235141.5 Ų141.5100%1.15881%0.808SS**  0151.80-68.1179.7173.400109.4
2P32.8Very low32.9Very low121 Ų121148.9 Ų148.979%0.78681%0.813SS**PPolyproline II helixtrans-79.2133.2-179.831.5-33.4000111.9Q4P2-Q4 PolarHBondContact O-N 2.95Å
3V33.9Very low32.8Very low138 Ų138152.9 Ų152.984%0.83682%0.823SS**PPolyproline II helixtrans-75.6116.2175.61800000109.5
4Q29.6Very low33Very low168 Ų168151.2 Ų151.279%0.78582%0.821SS**PPolyproline II helixtrans-78.1121.4176.7-67.4-173.9-4.900111P2 I6P2-Q4 PolarHBondContact O-N 2.95Å; Q4-I6 PolarHBondContact O-N 2.94Å
5Q32.3Very low33Very low165 Ų165148.7 Ų148.777%0.77183%0.829SS**  trans-84.296.2171.5-71.2-171-30.900110.3T7Q5-T7 PolarHBondContact O-N 2.59Å
6I38.1Very low33.1Very low151 Ų151144.3 Ų144.377%0.77483%0.826SS**  trans-67117.9174.7-60.5176.3000109.1Q4Q4-I6 PolarHBondContact O-N 2.94Å
7T29.6Very low33Very low117 Ų117146.1 Ų146.172%0.71883%0.833SS**  trans-89.8109.3179.2-64.30000109.7Q5 V9Q5-T7 PolarHBondContact O-N 2.59Å; T7-V9 PolarHBondContact O-N 3.28Å; T7-V9 VanDerWaalsContact O-N 3.14Å
8V33Very low33.1Very low133 Ų133141.2 Ų141.281%0.80682%0.82SS**  trans-70.7107.7175-177.80000109.6
9V31.4Very low33.2Very low116 Ų116145.1 Ų145.170%0.70383%0.826SS**PPolyproline II helixtrans-85.6131169.7-179.50000108.2T7 A11T7-V9 PolarHBondContact O-N 3.28Å; T7-V9 VanDerWaalsContact O-N 3.14Å; V9-A11 PolarHBondContact O-N 3.07Å
10P34Very low33.1Very low115 Ų115144.2 Ų144.275%0.74783%0.829SS**PPolyproline II helixtrans-63.7130.1173.1-19.732.2000110.8
11A32Very low33.3Very low97 Ų97141.7 Ų141.780%0.80283%0.826SS**PPolyproline II helixtrans-59148.9170.500000110.8V9V9-A11 PolarHBondContact O-N 3.07Å
12R36.8Very low33.8Very low231 Ų231136.8 Ų136.887%0.87281%0.812SS**PPolyproline II helixtrans-87.9135.5167.8-69.8-177.8174.6-170.6-2.4108.6T14R12-T14 PolarHBondContact O-N 2.95Å
13E31.4Very low33.7Very low201 Ų201143 Ų14394%0.93982%0.819SS**  trans-70.8108.3173.9-66.9170.815200109.3
14T35.1Very low33.9Very low129 Ų129141.9 Ų141.979%0.79182%0.818SS**  trans-100.5104.1165.749.90000108.3R12 G16R12-T14 PolarHBondContact O-N 2.95Å; T14-G16 PolarHBondContact O-N 2.93Å
15A34Very low34.1Very low114 Ų114143 Ų14394%0.94282%0.821SS**  trans-60.9123.7173.100000109.8
16G34.4Very low34.1Very low77 Ų77142.9 Ų142.979%0.79482%0.82SS**  trans-108125.4-17600000112.6T14T14-G16 PolarHBondContact O-N 2.93Å
17N31.2Very low34.2Very low175 Ų175145.2 Ų145.294%0.93682%0.824SS**  trans-157.9133.5165.9-162.934.7000108.6
18G33.8Very low34.3Very low59 Ų59146.6 Ų146.661%0.60883%0.827SS**  cis177121.1-10.800000112
19K35.5Very low34.5Very low215 Ų215149 Ų14994%0.93583%0.83SS**  trans53.3119.2166.5-64.2177.1178.11750119.9
20S30.8Very low34.5Very low126 Ų126146.9 Ų146.988%0.88183%0.831SS**  -156.9148.1122.255.90000111.1
21A38.1Very low34.6Very low93 Ų93153.1 Ų153.177%0.76984%0.84SS**  trans-97161.6-177.900000111.9
22P42.3Very low34.6Very low131 Ų131158.4 Ų158.485%0.85185%0.845SS**  trans-82.7154.9-165.133.4-36.5000114.1
23R30Very low34.6Very low251 Ų251151.7 Ų151.795%0.94784%0.839SS**  trans-144.4139.8163-150.8175-170.2-172.83110.3
24S39.5Very low35.7Very low116 Ų116148.3 Ų148.381%0.81184%0.835SS**  trans-91.7146.6-175.944.30000112.9
25K32.5Very low35.4Very low192 Ų192145.7 Ų145.784%0.83583%0.833SS**  trans-157.4168.6146.3-160.1145.9-173175.70112.1
26E33.3Very low35.4Very low162 Ų162151.5 Ų151.576%0.75783%0.831SS**  trans-86.1161-163.8-58.2132.3100.300116.7
27K39.8Very low35.4Very low199 Ų199153.2 Ų153.287%0.86583%0.831SS**  trans-38.4131.9156.1169.9-168.9177.3-172.50115.1
28N31.7Very low35.3Very low147 Ų147148.2 Ų148.279%0.78682%0.82SS**  trans-150.7172.1137.3-150.33.2000112.6
29E36.3Very low35.2Very low182 Ų182150.8 Ų150.885%0.8583%0.829SS**  trans-84168.3-166.9-53.6175.2128.100115.2
30G32Very low35.2Very low72 Ų72151.7 Ų151.774%0.74283%0.826SS**  trans-172-0.7-179.400000125.7
31R35.3Very low35.3Very low247 Ų247151.5 Ų151.593%0.93283%0.825SS**  trans55150.1165.8-66.9-178.1176.6-110.50.4122.2
32K32.3Very low35.4Very low208 Ų208151.9 Ų151.990%0.90482%0.822SS**  trans77.3131.5156.7-85.2-173.9173.3-177.70121.3
33A38.1Very low34.9Very low90 Ų90152.6 Ų152.674%0.74482%0.819SS**  trans-103.5-166.9159.100000108.3
34P52.8Low35.1Very low130 Ų130147.9 Ų147.984%0.84481%0.811SS**  cis-144.2-175.519.544.9-25.1000117.6
35G30.7Very low34.8Very low74 Ų74148.2 Ų148.276%0.76381%0.813SS**  trans114165.3150.800000117.8
36R33.7Very low34.9Very low235 Ų235148.4 Ų148.489%0.88781%0.814SS**  -170.2139.4-88.9177.9-175.5-171.8-1285.3109.6
37S33Very low34.6Very low114 Ų114147.5 Ų147.580%0.79782%0.819SS**  trans67.1158.9177-56.60000115.8
38G29.1Very low34.4Very low69 Ų69142.2 Ų142.271%0.71181%0.807SS**  cis155.1157-14.600000115.2
39S32.9Very low34.3Very low113 Ų113142 Ų14279%0.7981%0.806SS**  trans75121.9158.2-63.20000122.5
40R34.3Very low34.1Very low234 Ų234139.4 Ų139.488%0.88380%0.803SS**  51.4130.2127-52.1169.589.7-172.18.2120.2
41S34.3Very low34.1Very low122 Ų122140.2 Ų140.285%0.85380%0.802SS**  179.7174.710350.30000112.6
42S40.2Very low34Very low101 Ų101134.3 Ų134.371%0.70680%0.799SS**  trans-153.4134.3-174.156.70000111.6
43N32.4Very low34Very low147 Ų147135.8 Ų135.879%0.78680%0.799SS**  trans-140.1131.3165.7-70.1-55.2000106.4
44I33.8Very low33.8Very low151 Ų151136 Ų13677%0.77480%0.801SS**  66.7104.754.6-56.5177.3000112.9
45S33.3Very low32.8Very low124 Ų124134.9 Ų134.987%0.86780%0.796SS**  trans-170.9147.1138-83.60000111
46K33.2Very low32.9Very low196 Ų196136.6 Ų136.685%0.85279%0.792SS**  trans-154118.4175.4175.7-176.3176.4-179.70109.7
47V28.5Very low33.3Very low143 Ų143131.4 Ų131.487%0.86779%0.786SS**  trans-142.1155.5170.5-175.10000108.7
48S34Very low34.3Very low87 Ų87131.8 Ų131.861%0.60879%0.786SS**  trans-110.2155.7-173.1-51.20000112.4
49N30.9Very low34.5Very low142 Ų142133.7 Ų133.776%0.75979%0.788SS**  151.1123126.9-80.4-2.8000116.5
50T32.3Very low34.7Very low128 Ų128132 Ų13279%0.78578%0.782SS**  trans50138.5133.365.50000125
51A31.7Very low34.9Very low89 Ų89129 Ų12974%0.73678%0.777SS**  trans96.589.3137.400000122.4
52S33.5Very low34.8Very low124 Ų124129 Ų12987%0.86777%0.768SS**  43.7127.6118.2-48.90000124.6
53R32.4Very low34.5Very low239 Ų239131.1 Ų131.190%0.90277%0.77SS**  trans-145.7125.1142.4-92.6179.1163.4171.3-6.7107
54A32.4Very low34.5Very low94 Ų94129.2 Ų129.278%0.77777%0.767SS**  61.9128.673.600000112
55S33.4Very low34.3Very low106 Ų106127.1 Ų127.174%0.74177%0.765SS**  cis-169.3168.641.155.10000110.6
56T32.6Very low34.3Very low111 Ų111127.1 Ų127.168%0.68177%0.765SS**  cis-175.4144.9-9.826.50000111.5
57T41.4Very low34.2Very low125 Ų125121.4 Ų121.477%0.76776%0.762SS**  trans66.7153.6143.6570000122.1
58P54.7Low34.4Very low122 Ų122123.7 Ų123.779%0.79276%0.763SS**  cis-108.9-146.110.432.2-11.6000112.6
59S32.3Very low35.5Very low109 Ų109123.9 Ų123.976%0.76276%0.763SS**  cis-160.8-174.28.8-1520000114.2
60A38Very low35.5Very low78 Ų78123.6 Ų123.665%0.64577%0.766SS**  trans-74.3151.1175.700000113.7
61Q37.9Very low35.2Very low170 Ų170127.9 Ų127.979%0.79477%0.768SS**  cis79.8140.241.2-59.2171.311.800112
62D31.6Very low35.5Very low124 Ų124130.8 Ų130.866%0.66377%0.77SS**  cis-166.7160.941.6-123-25.4000115.8
63I34.5Very low35.4Very low145 Ų145131.2 Ų131.274%0.74476%0.763SS**  trans57.5144.8139.5-73.3164.2000121
64C31.2Very low35.4Very low106 Ų106127.1 Ų127.172%0.71676%0.759SS**  cis-155.2175.55.2-139.70000114.9
65S29.7Very low35.6Very low107 Ų107130.2 Ų130.275%0.74876%0.761SS**  trans-1.4167.3141.4-63.90000122.6
66S34Very low35.6Very low124 Ų124129.6 Ų129.687%0.86776%0.756SS**  cis175.8157.8-20.6-177.30000107.7
67G30.6Very low35.6Very low76 Ų76132.9 Ų132.978%0.78476%0.764SS**  trans141.3158.817200000115.5
68Q32.8Very low35.2Very low191 Ų191130.6 Ų130.689%0.89375%0.753SS**  trans-137.3-163.9-170.3-140.5-153.9-1.100112.4
69P58.1Low34.2Very low92 Ų92136.2 Ų136.260%0.59776%0.759SS**  -124.1-151.6-118.845-27000115.3
70T29.8Very low34.2Very low135 Ų135140.7 Ų140.783%0.82876%0.764SS**  trans84.7153.4-177.877.70000114.2
71R27.1Very low34.5Very low218 Ų218142.6 Ų142.682%0.82377%0.771SS**  cis-149.6170.312.4-163.6175.2165154.1-1.3112.1
72L37.1Very low34.1Very low150 Ų150139.4 Ų139.479%0.78577%0.767SS**  trans-71.6160.5165-79159.2000112.9
73D31.6Very low34.1Very low134 Ų134141.8 Ų141.872%0.71777%0.771SS**  -177.4169.7114.3-81.2-29000112
74D32.2Very low34Very low152 Ų152142.4 Ų142.481%0.81377%0.771SS**  trans-84.1170.1-165.8-79.3-82.6000117.7
75I37Very low34.1Very low159 Ų159146.4 Ų146.482%0.81578%0.776SS**  167143.6117.6-86.6165.4000116.7
76S32.8Very low34.7Very low93 Ų93147.3 Ų147.365%0.6578%0.779SS**  trans78.2113.3155.4-870000125.8
77E33.4Very low34.7Very low180 Ų180146.3 Ų146.384%0.84177%0.772SS**  65.5150.7117.9-85.6-164.4100.400123.8
78S32.3Very low36.1Very low78 Ų78147.8 Ų147.855%0.54577%0.768SS.*  cis-154.9174.912.562.10000115.4
79R33.9Very low36.1Very low240 Ų240144.2 Ų144.291%0.90676%0.764SS**  trans89.3157158.4-65.1166.1-161.2-120.8-2.5119.9
80K32.5Very low34.8Very low202 Ų202144.8 Ų144.888%0.87878%0.777SS**  trans-144177.9-156.1-71.3175.6-176.5168.20109.3
81P45.3Very low35.1Very low119 Ų119147 Ų14777%0.77378%0.78SS**  cis-112.9-146.76.543.4-28.2000111.8
82S27.8Very low35.2Very low103 Ų103143.3 Ų143.372%0.7278%0.782SS**  cis-153156.33.529.40000108.5
83K32.9Very low35Very low173 Ų173142.1 Ų142.175%0.75278%0.781SS**  cis76.2122.844.9-70.3-168.2168.4-171.20114.4
84H31.9Very low35Very low159 Ų159142.1 Ų142.174%0.73679%0.785SS**  cis-152.6165.77.7-119.3-32.3000115.8
85K32.8Very low35Very low190 Ų190139.4 Ų139.483%0.82678%0.778SS**  trans-90.8-170.9169.3-78.1-174.9177.5-179.30109.3
86P43.8Very low34.8Very low125 Ų125138.2 Ų138.281%0.81278%0.779SS**  cis-151.8-165.318.447.5-25.1000118.7
87S32.8Very low34.7Very low104 Ų104138.7 Ų138.773%0.72779%0.788SS**  trans-110.5-168.9159.759.80000109
88P60Low34.7Very low107 Ų107138.2 Ų138.270%0.69579%0.791SS**  cis-140.5-169.3-0.744.9-25.9000116.1
89S32.6Very low34.5Very low115 Ų115140.6 Ų140.680%0.80481%0.807SS**  trans59.1128.6146.8-59.60000123.9
90A32.2Very low34.4Very low104 Ų104134.4 Ų134.486%0.8680%0.801SS**  trans-170.8167.2134.800000112.5
91M34.2Very low34.4Very low181 Ų181130.9 Ų130.989%0.89280%0.801SS**  trans-125.4161178.5-61.1-179.5-76.200111.6
92T30.3Very low33.9Very low142 Ų142129.5 Ų129.587%0.87180%0.8SS**  trans-166.2160.1146.3-78.90000110.6
93V32.8Very low34.1Very low125 Ų125133.9 Ų133.976%0.75881%0.809SS**  trans-116.6165.1-168.9-72.50000113.8
94T30.9Very low33.9Very low133 Ų133130 Ų13082%0.81680%0.804SS**  trans141.4149157.446.60000109.7
95S32.8Very low33.9Very low95 Ų95129 Ų12966%0.66480%0.8SS**  cis-159.6158.7-18.6-96.40000110.9
96T32.6Very low33.9Very low135 Ų135127.8 Ų127.883%0.82879%0.794SS**  trans33.4119.8152.155.90000121.4
97A30.7Very low33.3Very low103 Ų103130 Ų13085%0.85179%0.791SS**  -175.5145.5114.700000112.8
98L32.9Very low33.2Very low170 Ų170133.7 Ų133.789%0.8979%0.794SS**  trans-96.1134.5163.4-75.8157.6000109
99S27.8Very low31.8Very low128 Ų128138 Ų13890%0.89580%0.796SS**  trans-177.5148.6136.4-86.30000112.9
100S32.9Very low31.8Very low109 Ų109143.2 Ų143.276%0.76280%0.798SS**  trans-87.9144.717352.60000112.4
101S32Very low31.7Very low128 Ų128146 Ų14690%0.89579%0.793SS**  -171.7156.5128.7-85.20000111.1
102A35Very low31.5Very low91 Ų91147.1 Ų147.175%0.75279%0.788SS**  trans-109.7154.4-179.800000111.4
103Q32.1Very low31.8Very low195 Ų195150.7 Ų150.791%0.91179%0.785SS**  177.2170.5127.6-99175.935.900113.6
104S29.5Very low31.6Very low91 Ų91154 Ų15464%0.63679%0.789SS**  trans86.796.4150.9-157.50000121.2
105Q32.3Very low31.4Very low138 Ų138157.5 Ų157.565%0.64579%0.788SS**  80.5115.1128.1-66.7-174.973.700124.1
106K32.5Very low31.1Very low165 Ų165156.3 Ų156.372%0.71778%0.779SS**  69.3145.1127.9-63169.4-171.5163.80117.6
107K31.5Very low30.9Very low172 Ų172154.9 Ų154.975%0.74878%0.775SS**  cis-161.4149.211.5-132.4171.1-176.3172.30111.2
108K29.8Very low30.7Very low181 Ų181156.1 Ų156.179%0.78778%0.776SS**  trans67.4151.7159.4-68.4177.6177.2177.90118.2
109R30.2Very low30.6Very low196 Ų196152.5 Ų152.574%0.7476%0.764SS**  cis-176.7128.1-19.3174.7-174.7-173-170.56111
110R32.9Very low30.5Very low225 Ų225153.2 Ų153.285%0.84976%0.764SS**  171.6113.6129.6-94.9-169.8168.5-163.1-3.7115.2
111H31.1Very low30.4Very low162 Ų162156.7 Ų156.775%0.7577%0.766SS**  trans26.5126.1150.8-56.9-80.1000124.5
112R30Very low30.1Very low206 Ų206158.2 Ų158.278%0.77776%0.763SS**  trans-158112.7148.4-174.7172.6175.4162.5-2.4114.5
113R35.8Very low29.9Very low216 Ų216158.9 Ų158.982%0.81576%0.762SS**  trans66.6165.6158.3-65.7-179.3177.1-172.2-4.6120.6
114K28.1Very low29.9Very low194 Ų194155.7 Ų155.784%0.84376%0.755SS**  trans72.4154.6171.8-93.5-172.7177.6179.50116
115R26.7Very low29.8Very low208 Ų208157.8 Ų157.879%0.78576%0.759SS**  cis-160.8164.9-15.1-154.6-167.7174.2-147.73.8109.5
116S26.3Very low29.7Very low69 Ų69157.8 Ų157.848%0.48376%0.763SS.*  trans13.7127.2149.263.40000122.2
117S29.1Very low29.5Very low105 Ų105155.6 Ų155.673%0.73477%0.769SS**  trans51.3125.4134.264.80000121.8
118C27.5Very low29.3Very low130 Ų130150.7 Ų150.788%0.87877%0.766SS**  -166.9173.3107.3-106.50000113.8
119S29.1Very low29.2Very low93 Ų93151.5 Ų151.565%0.6577%0.77SS**  trans-67.1164.1-171.550.50000118.2
120T25.6Very low29.1Very low143 Ų143150.5 Ų150.588%0.87777%0.774SS**  trans-113.1159.614744.10000110.4
121F30.7Very low28.8Very low183 Ų183147.1 Ų147.180%0.80377%0.767SS**  trans-117.9161.8-173.3-108.8-94.6000110.9
122D26.4Very low28.7Very low159 Ų159147.1 Ų147.185%0.8577%0.768SS**  trans-153.7165.3141.3-109.6-43.5000110.8
123C30.1Very low28.7Very low106 Ų106142.1 Ų142.172%0.71676%0.764SS**  trans-100.2-174.9-171.3-69.30000111.9
124V32.2Very low28.3Very low128 Ų128138.8 Ų138.878%0.77676%0.763SS**  cis-155.8157.324.3-153.80000112.1
125D28.3Very low28.4Very low135 Ų135140.9 Ų140.972%0.72277%0.766SS**  trans100.1134.4136.8-105-12000126.7
126L30.7Very low28.4Very low137 Ų137135.5 Ų135.572%0.71776%0.76SS**  trans56.8123.9146.8-77161.5000126
127S28.1Very low28.6Very low120 Ų120140.3 Ų140.384%0.83978%0.779SS**  trans71.1146.2147.2-53.10000120.1
128G27.2Very low28.6Very low68 Ų68140.6 Ų140.670%0.70178%0.781SS**  cis157.1125.3-11.100000114.5
129K27.7Very low28.9Very low198 Ų198139.4 Ų139.486%0.86177%0.774SS**  trans71.1158.7178.6-49.8-178.1178.5-179.30115
130Q26.9Very low28.9Very low176 Ų176141.4 Ų141.482%0.82278%0.778SS**  cis-142.6166.64.4-156154.1-71.800112.8
131E27.6Very low29.2Very low153 Ų153145.5 Ų145.572%0.71578%0.777SS**  trans-99.4177.2-178.7-54.9174.555.500114.7
132Q29.8Very low29.4Very low162 Ų162140.6 Ų140.676%0.75777%0.765SS**  trans73.9158.8144.9-85.4172.652.500118
133S28.3Very low29.8Very low101 Ų101140.3 Ų140.371%0.70676%0.759SS**  cis-154.8-1793.242.80000112.7
134D28Very low29.9Very low147 Ų147143 Ų14379%0.78677%0.766SS**  trans-69.9-176.4-176.9-49.9-100.6000118.4
135R29.6Very low29.7Very low238 Ų238140.1 Ų140.190%0.89876%0.762SS**  trans86.8154.9163.8-61.7178.4166.9161.3-4.4117.5
136S27.4Very low29.9Very low95 Ų95141.2 Ų141.266%0.66476%0.762SS**  cis-170155.5-26.1-94.20000111
137L30Very low29.8Very low169 Ų169142.5 Ų142.589%0.88576%0.762SS**  trans34.3130.1146.8-69.2162.9000122.2
138S29.1Very low29.9Very low111 Ų111146.7 Ų146.778%0.77676%0.759SS**  -169.9146.7113.650.60000113.3
139S34.3Very low30Very low105 Ų105150.4 Ų150.473%0.73476%0.759SS**  trans31.6151.8145.1-69.40000122.9
140D30.2Very low30Very low136 Ų136148.7 Ų148.773%0.72775%0.753SS**  cis-164.5173.2-9.8-114.2-64.4000106.3
141R31.5Very low30Very low228 Ų228144.3 Ų144.386%0.8674%0.742SS**  cis-153.9176.218.7-152172.2163.1176.1-4.8111.6
142S33.8Very low30.2Very low80 Ų80144.4 Ų144.456%0.55975%0.746SS**  trans-68.6178.6176.567.10000115
143E35.7Very low30.2Very low154 Ų154146.9 Ų146.972%0.7275%0.749SS**  cis-168.3178.716.1-143.9157.4132.200114
144L31.3Very low30.1Very low163 Ų163149 Ų14985%0.85375%0.752SS**  trans66.1145.1160.6-62.1163.6000118.2
145G29Very low30.1Very low67 Ų67152.6 Ų152.669%0.69175%0.754SS**  cis-169.5179.4-0.400000113.9
146E31.4Very low30.3Very low157 Ų157150.2 Ų150.273%0.73475%0.751SS**  trans-72.1175.8-175.7-38.9-17193.500113.7
147K29.4Very low30.3Very low164 Ų164153.2 Ų153.271%0.71375%0.754SS**  cis-1691764.3-137.5160.6-167.5151.80110
148R29.9Very low30.4Very low208 Ų208152.6 Ų152.679%0.78575%0.751SS**  trans83.5105142-158.1155.6-141.1175.45.4123.7
149E30Very low31.4Very low147 Ų147152.8 Ų152.869%0.68775%0.749SS**  43.7124.3126.6-54.2-179.7103.400124.5
150H27.3Very low31.6Very low161 Ų161153.9 Ų153.975%0.74575%0.754SS**  56.4135.6129.7-126.3-104.2000120.3
151S27.3Very low31.7Very low84 Ų84158.7 Ų158.759%0.58776%0.762SS**  174175.365.9-161.40000112.3
152I30.8Very low31.7Very low156 Ų156155.5 Ų155.580%0.876%0.761SS**  trans68.8148.5163-63.1174.3000116.4
153R29.5Very low31.4Very low214 Ų214162.2 Ų162.281%0.80877%0.774SS**  cis-169.4165.9-31.5-169.2177.1-170.7-174.45.1108.1
154N25.9Very low31Very low145 Ų145165.6 Ų165.678%0.77578%0.78SS**  trans-8145.4165.6-59.4-4.9000118.8
155R28.2Very low30.8Very low223 Ų223162.9 Ų162.984%0.84278%0.775SS**  -169.1163.480.8-162.9179.3162.9146.9-5.1113.2E157R155-E157 IonicContact NE-OE1 3.91Å
156K34.2Very low30.7Very low188 Ų188163.3 Ų163.382%0.81778%0.78SS**  trans-73.8158.7163.9-58.7175.3178.3178.40111.2
157E27.7Very low30.8Very low157 Ų157162.1 Ų162.173%0.73478%0.783SS**  trans-150.3167.6149.7-90.8-52.6123.700110.2R155R155-E157 IonicContact NE-OE1 3.91Å
158L31.9Very low31.5Very low157 Ų157159.8 Ų159.882%0.82278%0.784SS**  trans-114.6170.3173.4-115.780.8000110.6
159P49.4Very low31.4Very low114 Ų114159.2 Ų159.274%0.7479%0.791SS**  trans-96.4156.1-171.537.2-35.2000114.6
160P39.6Very low31.5Very low129 Ų129157.7 Ų157.784%0.83880%0.796SS**  trans-112.5172.7153.535.5-25.7000113.1
161R32.1Very low32Very low237 Ų237157.6 Ų157.689%0.89480%0.801SS**  trans-99.3165.4-178.9-57.4174.4172-171.6-3111.7
162L31.2Very low32.2Very low160 Ų160159.1 Ų159.184%0.83881%0.811SS**  -173.1-177.2121.6-102.1165.3000115
163R27.2Very low32.5Very low221 Ų221155 Ų15583%0.83480%0.796SS**  trans-55.3174.4-177.6-63.9168.2165.6179.9-5.7114.1
164R28Very low33.4Very low226 Ų226150.4 Ų150.485%0.85379%0.792SS**  cis-157.1168.623.9-159.7172.5175.9-178.4-2113.5
165S26.7Very low34.1Very low106 Ų106151.2 Ų151.274%0.74179%0.791SS**  trans-21.9143.8171.6-46.60000121.2
166G27.4Very low34.9Very low76 Ų76145.2 Ų145.278%0.78478%0.776SS**  trans-150.8139.214800000108.5
167V32.5Very low35.3Very low132 Ų132140.9 Ų140.980%0.876%0.759SS**  trans-137.6172.6-177-140.90000108.8
168P44.7Very low36.2Very low115 Ų115136.1 Ų136.175%0.74775%0.746SS**  -102176.4-100.640-27.8000113.8
169Q27.5Very low36.6Very low196 Ų196137 Ų13792%0.91674%0.739SS**  trans-143.8157.5152.6-132.5175.13.200110.4
170S31.8Very low36.5Very low114 Ų114138 Ų13880%0.79773%0.728SS**  trans-92.4173.5-144-450000116.9
171D38.8Very low36.9Very low159 Ų159137.9 Ų137.985%0.8572%0.716SS**  trans-80.7155.5-162.7-50.7-92.4000117.1
172S31.3Very low37.8Very low116 Ų116129.1 Ų129.181%0.81169%0.694SS**  trans-16099.8133.8-169.30000111.5
173S36.5Very low38.6Very low69 Ų69128.6 Ų128.648%0.48368%0.681SS.*  trans-162.239.9173.5-158.70000111.8E175 D176 E177S173-E175 VanDerWaalsContact C-N 3.26Å; S173-E175 PolarHBondContact O-N 3.2Å; S173-E175 VanDerWaalsContact O-N 3.1Å; S173-D176 PolarHBondContact O-N 2.95Å; S173-E177 PolarHBondContact O-N 2.94Å
174T49Very low39.7Very low118 Ų118121.5 Ų121.572%0.72467%0.665SS**Hα-helixtrans-67.5-13.7-16219.60000116
175E40.7Very low40.5Very low162 Ų162118.9 Ų118.976%0.75766%0.656SS**Hα-helixtrans-89.9-39.3177.3-56.6-160.9138.900113.3S173 A178 W179S173-E175 VanDerWaalsContact C-N 3.26Å; S173-E175 PolarHBondContact O-N 3.2Å; S173-E175 VanDerWaalsContact O-N 3.1Å; E175-A178 PolarHBondContact O-N 3.02Å; E175-W179 PolarHBondContact O-N 2.75Å
176D44.3Very low42.1Very low97 Ų97117.6 Ų117.652%0.51965%0.647SS.*Hα-helixtrans-77.4-28.1-178-110.1-48.1000112.7S173 R180S173-D176 PolarHBondContact O-N 2.95Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.16Å; D176-R180 VanDerWaalsContact O-N 3.09Å
177E42.8Very low43.4Very low98 Ų98120.8 Ų120.846%0.45864%0.639SS.*Hα-helixtrans-64.7-46.4169.2-84.2-56.293.900112S173 W179 R180 E181S173-E177 PolarHBondContact O-N 2.94Å; E177-W179 VanDerWaalsContact C-N 3.26Å; E177-W179 PolarHBondContact O-N 3.25Å; E177-R180 CarbonylContact O-C 3.55Å; E177-R180 WeakPolarHBondContact O-CA 3.38Å; E177-R180 PolarHBondContact O-N 3.14Å; E177-R180 IonicContact OE1-CZ 2.73Å; E177-R180 IonicContact OE1-NE 2.91Å; E177-R180 PolarHBondContact OE1-NE 2.84Å; E177-R180 IonicContact OE1-NH2 3.78Å; E177-R180 PolarHBondContact OE1-NH2 3.4Å; E177-E181 WeakPolarHBondContact O-CB 3.2Å; E177-E181 PolarHBondContact O-N 3.34Å
178A46.2Very low44.8Very low56 Ų56117 Ų11746%0.46361%0.612SS.*Hα-helixtrans-56-41.7177.700000112E175 A182E175-A178 PolarHBondContact O-N 3.02Å; A178-A182 VanDerWaalsContact O-CB 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.5Å; A178-A182 PolarHBondContact O-N 2.76Å
179W40.8Very low45.5Very low177 Ų177118.7 Ų118.767%0.6761%0.608SS**Hα-helixtrans-70.3-28174.7-72.5112.9000113.7E175 E177 R183E175-W179 PolarHBondContact O-N 2.75Å; E177-W179 VanDerWaalsContact C-N 3.26Å; E177-W179 PolarHBondContact O-N 3.25Å; W179-R183 WeakPolarHBondContact O-CG 3.45Å; W179-R183 PolarHBondContact O-NE 2.78Å; W179-R183 PolarHBondContact O-NH2 2.91Å
180R46.9Very low47Very low134 Ų134111.3 Ų111.351%0.50658%0.58SS.*Hα-helixtrans-76.2-43.5172.4-76.7-168.9-73.3-134-4.1111.6D176 E177 R183 S184D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.16Å; D176-R180 VanDerWaalsContact O-N 3.09Å; E177-R180 CarbonylContact O-C 3.55Å; E177-R180 WeakPolarHBondContact O-CA 3.38Å; E177-R180 PolarHBondContact O-N 3.14Å; E177-R180 IonicContact OE1-CZ 2.73Å; E177-R180 IonicContact OE1-NE 2.91Å; E177-R180 PolarHBondContact OE1-NE 2.84Å; E177-R180 IonicContact OE1-NH2 3.78Å; E177-R180 PolarHBondContact OE1-NH2 3.4Å; R180-R183 PolarHBondContact O-N 3Å; R180-S184 PolarHBondContact O-N 3.48Å
181E49.5Very low48.4Very low126 Ų126112.3 Ų112.359%0.58957%0.567SS**Hα-helixtrans-70.1-41.9-177.8-167.5168.2-139.100112.4E177 R183 S184 W185E177-E181 WeakPolarHBondContact O-CB 3.2Å; E177-E181 PolarHBondContact O-N 3.34Å; E181-R183 PolarHBondContact O-N 3.18Å; E181-S184 CarbonylContact O-C 3.55Å; E181-S184 WeakPolarHBondContact O-CA 3.17Å; E181-S184 VanDerWaalsContact O-CB 3.26Å; E181-S184 WeakPolarHBondContact O-CB 3.29Å; E181-S184 PolarHBondContact O-N 2.91Å; E181-W185 PolarHBondContact O-N 2.99Å
182A50.6Low49.3Very low53 Ų53111.2 Ų111.244%0.43855%0.551SS.*Hα-helixtrans-59.7-35.1172.800000112.7A178 S186A178-A182 VanDerWaalsContact O-CB 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.5Å; A178-A182 PolarHBondContact O-N 2.76Å; A182-S186 VanDerWaalsContact O-CB 3.32Å; A182-S186 WeakPolarHBondContact O-CB 3.33Å; A182-S186 PolarHBondContact O-N 3.27Å; A182-S186 VanDerWaalsContact O-N 3.11Å; A182-S186 PolarHBondContact O-OG 2.92Å
183R47.2Very low50.5Low149 Ų149108.6 Ų108.656%0.56254%0.536SS*.Hα-helixtrans-73-32.9172.4-78.5-179.4-72.6-176.2-5.1112.4W179 R180 E181 K187W179-R183 WeakPolarHBondContact O-CG 3.45Å; W179-R183 PolarHBondContact O-NE 2.78Å; W179-R183 PolarHBondContact O-NH2 2.91Å; R180-R183 PolarHBondContact O-N 3Å; E181-R183 PolarHBondContact O-N 3.18Å; R183-K187 WeakPolarHBondContact O-CG 3.5Å; R183-K187 PolarHBondContact O-N 3.5Å
184S50.5Low51.2Low72 Ų72113.2 Ų113.250%0.50354%0.543SS..Hα-helixtrans-64.5-55.6172.4-172.70000111.1R180 E181 S186 K187 E188R180-S184 PolarHBondContact O-N 3.48Å; E181-S184 CarbonylContact O-C 3.55Å; E181-S184 WeakPolarHBondContact O-CA 3.17Å; E181-S184 VanDerWaalsContact O-CB 3.26Å; E181-S184 WeakPolarHBondContact O-CB 3.29Å; E181-S184 PolarHBondContact O-N 2.91Å; S184-S186 VanDerWaalsContact C-N 3.28Å; S184-S186 PolarHBondContact O-N 2.81Å; S184-K187 PolarHBondContact O-N 2.76Å; S184-E188 PolarHBondContact O-N 2.95Å
185W45.9Very low51.3Low172 Ų172116.7 Ų116.765%0.65254%0.543SS*.Hα-helixtrans-58.4-38.9179.7-158.4-99.4000112.1E181 E188 K189E181-W185 PolarHBondContact O-N 2.99Å; W185-E188 PolarHBondContact O-N 3.25Å; W185-K189 VanDerWaalsContact O-CB 3.22Å; W185-K189 WeakPolarHBondContact O-CB 3.36Å; W185-K189 PolarHBondContact O-N 3.2Å
186S59.1Low51.6Low79 Ų79118.3 Ų118.355%0.55254%0.542SS*.Hα-helixtrans-63.3-44.2174-63.50000112.9A182 S184 A190A182-S186 VanDerWaalsContact O-CB 3.32Å; A182-S186 WeakPolarHBondContact O-CB 3.33Å; A182-S186 PolarHBondContact O-N 3.27Å; A182-S186 VanDerWaalsContact O-N 3.11Å; A182-S186 PolarHBondContact O-OG 2.92Å; S184-S186 VanDerWaalsContact C-N 3.28Å; S184-S186 PolarHBondContact O-N 2.81Å; S186-A190 WeakPolarHBondContact O-CB 3.36Å; S186-A190 PolarHBondContact O-N 3.03Å; S186-A190 VanDerWaalsContact O-N 3.16Å
187K55.1Low51.8Low143 Ų143117 Ų11762%0.62254%0.541SS*.Hα-helixtrans-65.6-38.2174.7-78.8179176.7177.60112R183 S184 A190 R191R183-K187 WeakPolarHBondContact O-CG 3.5Å; R183-K187 PolarHBondContact O-N 3.5Å; S184-K187 PolarHBondContact O-N 2.76Å; K187-A190 CarbonylContact O-C 3.55Å; K187-A190 PolarHBondContact O-N 2.82Å; K187-R191 WeakPolarHBondContact O-CG 2.99Å; K187-R191 PolarHBondContact O-N 2.79Å; K187-R191 VanDerWaalsContact O-N 3.12Å
188E61.6Low52Low51 Ų51116.4 Ų116.424%0.23854%0.543CS..Hα-helixtrans-77.6-36-177.7-159.853-130.200112.7S184 W185 A190 R191 R192S184-E188 PolarHBondContact O-N 2.95Å; W185-E188 PolarHBondContact O-N 3.25Å; E188-A190 VanDerWaalsContact C-N 3.26Å; E188-A190 PolarHBondContact O-N 3.19Å; E188-R191 WeakPolarHBondContact O-CB 3.15Å; E188-R191 PolarHBondContact O-N 2.88Å; E188-R191 WeakPolarHBondContact OE2-CD 3.41Å; E188-R191 IonicContact OE2-CZ 2.71Å; E188-R191 IonicContact OE2-NE 2.66Å; E188-R191 IonicContact OE2-NH1 3.06Å; E188-R191 PolarHBondContact OE2-NH1 3.21Å; E188-R192 PolarHBondContact O-N 2.96Å
189K60.3Low51.8Low151 Ų151117.4 Ų117.466%0.65755%0.547SS*.Hα-helixtrans-58.3-40.5167.8-166.3170.8-176.3176.90110.6W185 R191 A193W185-K189 VanDerWaalsContact O-CB 3.22Å; W185-K189 WeakPolarHBondContact O-CB 3.36Å; W185-K189 PolarHBondContact O-N 3.2Å; K189-R191 VanDerWaalsContact C-N 3.29Å; K189-R191 PolarHBondContact O-N 2.99Å; K189-A193 WeakPolarHBondContact O-CB 3.38Å; K189-A193 PolarHBondContact O-N 2.79Å
190A58.8Low51.9Low41 Ų41113.2 Ų113.234%0.33954%0.544SS..Hα-helixtrans-73.9-8.8173.900000115.3S186 K187 E188 R194S186-A190 WeakPolarHBondContact O-CB 3.36Å; S186-A190 PolarHBondContact O-N 3.03Å; S186-A190 VanDerWaalsContact O-N 3.16Å; K187-A190 CarbonylContact O-C 3.55Å; K187-A190 PolarHBondContact O-N 2.82Å; E188-A190 VanDerWaalsContact C-N 3.26Å; E188-A190 PolarHBondContact O-N 3.19Å; A190-R194 PolarHBondContact O-NE 2.9Å; A190-R194 PolarHBondContact O-NH2 3.25Å
191R60.7Low51.9Low135 Ų135117.1 Ų117.151%0.50956%0.559SS.*Hα-helixtrans-93.7-45.9168.4-75.7162.5173.7161.9-2.8111.1K187 E188 K189 A193 R194 R195K187-R191 WeakPolarHBondContact O-CG 2.99Å; K187-R191 PolarHBondContact O-N 2.79Å; K187-R191 VanDerWaalsContact O-N 3.12Å; E188-R191 WeakPolarHBondContact O-CB 3.15Å; E188-R191 PolarHBondContact O-N 2.88Å; E188-R191 WeakPolarHBondContact OE2-CD 3.41Å; E188-R191 IonicContact OE2-CZ 2.71Å; E188-R191 IonicContact OE2-NE 2.66Å; E188-R191 IonicContact OE2-NH1 3.06Å; E188-R191 PolarHBondContact OE2-NH1 3.21Å; K189-R191 VanDerWaalsContact C-N 3.29Å; K189-R191 PolarHBondContact O-N 2.99Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 2.78Å; R191-R194 PolarHBondContact O-N 3.35Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R191-R195 PolarHBondContact O-N 2.85Å
192R57.7Low51.7Low137 Ų137118.2 Ų118.252%0.51756%0.564SS.*Hα-helixtrans-60.5-37.3175.4-72.4-177.5170.4123.3-3.8112.3E188 R195 R196E188-R192 PolarHBondContact O-N 2.96Å; R192-R195 PolarHBondContact O-N 2.93Å; R192-R196 PolarHBondContact O-N 3.24Å
193A55.7Low51.4Low60 Ų60124.1 Ų124.150%0.49658%0.58SS.*Hα-helixtrans-58.5-47.6170.600000112.2K189 R191 R195 R196 S197K189-A193 WeakPolarHBondContact O-CB 3.38Å; K189-A193 PolarHBondContact O-N 2.79Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 2.78Å; A193-R195 PolarHBondContact O-N 2.72Å; A193-R196 PolarHBondContact O-N 3.4Å; A193-S197 PolarHBondContact O-N 2.88Å; A193-S197 PolarHBondContact O-OG 2.9Å
194R52.1Low51.2Low167 Ų167124.3 Ų124.363%0.6359%0.592SS**Hα-helixtrans-66.7-34178.1-89.2177-77.7-156.2-5.5113.6A190 R191 S197 V198A190-R194 PolarHBondContact O-NE 2.9Å; A190-R194 PolarHBondContact O-NH2 3.25Å; R191-R194 PolarHBondContact O-N 3.35Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R194-S197 WeakPolarHBondContact CA-OG 3.12Å; R194-S197 PolarHBondContact O-OG 2.73Å; R194-V198 WeakPolarHBondContact O-CG2 3.48Å; R194-V198 PolarHBondContact O-N 3.35Å
195R51.1Low51Low191 Ų191124.6 Ų124.672%0.72160%0.599SS**Hα-helixtrans-67.5-37.8172.6-69.3-173.3-175.3-86.86112.1R191 R192 A193 V198 S199R191-R195 PolarHBondContact O-N 2.85Å; R192-R195 PolarHBondContact O-N 2.93Å; A193-R195 PolarHBondContact O-N 2.72Å; R195-V198 PolarHBondContact O-N 2.62Å; R195-S199 VanDerWaalsContact O-CB 3.32Å; R195-S199 WeakPolarHBondContact O-CB 3.42Å; R195-S199 PolarHBondContact O-N 2.91Å
196R47.2Very low50.7Low195 Ų195123.5 Ų123.574%0.73661%0.612SS**Hα-helixtrans-65.9-41173.9-73.8179.5179.4159.3-0.9112.7R192 A193 V198 S199 S200R192-R196 PolarHBondContact O-N 3.24Å; A193-R196 PolarHBondContact O-N 3.4Å; R196-V198 VanDerWaalsContact C-N 3.26Å; R196-V198 PolarHBondContact O-N 2.95Å; R196-S199 PolarHBondContact O-N 2.85Å; R196-S200 VanDerWaalsContact O-CB 3.28Å; R196-S200 WeakPolarHBondContact O-CB 3.24Å; R196-S200 PolarHBondContact O-N 3.44Å
197S47.3Very low49.4Very low71 Ų71123.9 Ų123.950%0.49763%0.628SS.*Hα-helixtrans-69.7-18.4177.758.40000114.7A193 R194A193-S197 PolarHBondContact O-N 2.88Å; A193-S197 PolarHBondContact O-OG 2.9Å; R194-S197 WeakPolarHBondContact CA-OG 3.12Å; R194-S197 PolarHBondContact O-OG 2.73Å
198V47.2Very low48.2Very low85 Ų85120.9 Ų120.952%0.51564%0.637SS.*Hα-helixtrans-88.2-49.2171.5175.20000110.3R194 R195 R196 S200 R201R194-V198 WeakPolarHBondContact O-CG2 3.48Å; R194-V198 PolarHBondContact O-N 3.35Å; R195-V198 PolarHBondContact O-N 2.62Å; R196-V198 VanDerWaalsContact C-N 3.26Å; R196-V198 PolarHBondContact O-N 2.95Å; V198-S200 PolarHBondContact O-N 3.5Å; V198-R201 PolarHBondContact O-N 3.02Å
199S43.1Very low46.9Very low77 Ų77130.8 Ų130.854%0.53867%0.673SS.*Hα-helixtrans-61.5-17177.6-178.10000114.4R195 R196R195-S199 VanDerWaalsContact O-CB 3.32Å; R195-S199 WeakPolarHBondContact O-CB 3.42Å; R195-S199 PolarHBondContact O-N 2.91Å; R196-S199 PolarHBondContact O-N 2.85Å
200S42.3Very low45.5Very low88 Ų88127.3 Ų127.362%0.61568%0.679SS**THydrogen-bonded Turntrans-90.96.9173.4-166.70000113.8R196 V198R196-S200 VanDerWaalsContact O-CB 3.28Å; R196-S200 WeakPolarHBondContact O-CB 3.24Å; R196-S200 PolarHBondContact O-N 3.44Å; V198-S200 PolarHBondContact O-N 3.5Å
201R47.6Very low44.2Very low217 Ų217130.9 Ų130.982%0.81971%0.709SS**SBendtrans-119-2.2174.8-92.1-175.9163.8-172.2-6.6114V198V198-R201 PolarHBondContact O-N 3.02Å
202E44.2Very low42.8Very low149 Ų149128.4 Ų128.470%0.69673%0.725SS**SBendtrans-113.729.4179.4-64.2179.4110.400111.9
203K44.8Very low41.6Very low176 Ų176131 Ų13177%0.76574%0.743SS**SBendtrans-126.4-6.3178.6-94-162.3168.9-164.10117
204D43Very low40.5Very low153 Ų153134.6 Ų134.682%0.81875%0.754SS**SBendtrans-106.323178.2-55.6-53.4000112.5
205A46.8Very low39.7Very low78 Ų78135.6 Ų135.665%0.64576%0.763SS**SBendtrans-141.523.7-167.300000115.9
206T40.1Very low38.8Very low150 Ų150129.5 Ų129.592%0.9276%0.76SS**SBendtrans-166.7130.3159.4-1.70000112.4
207G30.9Very low38.2Very low87 Ų87129.5 Ų129.590%0.89777%0.768SS**  trans137.285.5168.200000114.9
208G28.9Very low37.5Very low79 Ų79131 Ų13181%0.81479%0.785SS**  trans17590.2175.700000114.4
209R35.4Very low36.7Very low260 Ų260134.3 Ų134.398%0.98180%0.796SS**  trans-151.1133.4164.8-78.8-169176.9-125.31.3109.1
210G31.6Very low36.2Very low77 Ų77137.5 Ų137.579%0.79480%0.803SS**  trans159.896.8167.400000116.7
211A31.3Very low35.5Very low117 Ų117140.5 Ų140.597%0.96781%0.811SS**  trans61.9148.5157.300000120.7
212G30.4Very low34.6Very low82 Ų82139.1 Ų139.185%0.84581%0.814SS**  trans147.8105.716900000114.7
213Q31.9Very low33.9Very low192 Ų192136.4 Ų136.490%0.89781%0.812SS**  trans-68.6149.6-168.3-71.1159.4-4700118.8
214D33.7Very low33.2Very low136 Ų136134.2 Ų134.273%0.72781%0.813SS**  trans73.1146.2132.5-161.734.6000123
215K36Very low32.6Very low187 Ų187133.6 Ų133.681%0.81381%0.81SS**  trans65142.7174.6-45.1-170.9-177.3176.80117.7
216G31.7Very low31.9Very low64 Ų64134 Ų13466%0.6681%0.807SS**  cis174.2161.2-6.700000111.8
217E34.9Very low31.7Very low195 Ų195133.4 Ų133.491%0.91180%0.799SS**  trans67.2113.9173.1-54.1-174115.200116.3
218A32.7Very low32.1Very low102 Ų102137.5 Ų137.584%0.84379%0.794SS**  85.1144.796.700000113.2
219M30.4Very low32.2Very low154 Ų154140.7 Ų140.776%0.75979%0.788SS**  cis-158.1145.822.9169.5174.8175.200112.2
220E31.8Very low32.1Very low144 Ų144135 Ų13567%0.67377%0.77SS**  trans51.8106.7149.1-142.3150.9118.400121.6
221L28.3Very low32.1Very low152 Ų152137.8 Ų137.880%0.79676%0.763SS**  71.6126.489.3-64.9-177.2000118.6
222Q27.7Very low32.1Very low187 Ų187138.6 Ų138.687%0.87475%0.751SS**  169.6160.6127.2-93.9173.730.100111.7
223S29.5Very low32.2Very low92 Ų92142.8 Ų142.864%0.64375%0.748SS**  -17699.8-79.352.70000112.6
224V31.4Very low32.9Very low130 Ų130138.5 Ų138.579%0.78874%0.737SS**  trans58.1160146.6-120.60000123.2
225N28.5Very low32.8Very low141 Ų141138.7 Ų138.775%0.75474%0.738SS**  trans78.8145.8158.5-63.5-3.3000118.1
226S32.7Very low32.7Very low85 Ų85135.5 Ų135.559%0.59473%0.734SS**  cis-155.1149.82.8-103.90000112.6
227D35.2Very low32.9Very low138 Ų138140.4 Ų140.474%0.73874%0.739SS**  40.7151.1117.6-39.7-34.9000121.1
228E39.6Very low32.7Very low173 Ų173137.5 Ų137.581%0.80873%0.73SS**  cis-170.5-174.3-7-111.3-102.474.800110
229E31.4Very low32.9Very low147 Ų147137.7 Ų137.769%0.68773%0.725SS**  trans72.3148.9167.2-95.4-168.5107.800118.7
230K32.8Very low32.9Very low140 Ų140134.1 Ų134.161%0.60973%0.728SS**  cis-154144.77.3-158.8173.8-178.647.20112.4
231E32.5Very low32.9Very low135 Ų135130.6 Ų130.663%0.63173%0.731SS**  trans37.5144.5152.2-76.7169.764.800122.2
232N31.1Very low33.2Very low135 Ų135130.1 Ų130.172%0.72273%0.728SS**  cis-158.8164.429.2-124.9-41.4000113.2
233Q33.2Very low33.6Very low169 Ų169130 Ų13079%0.7972%0.724SS**  trans-137-175.3173.2-122-161.396.300108.9
234P46Very low33.7Very low102 Ų102134.5 Ų134.566%0.66273%0.732SS**  cis-115.7-146.216.432.5-8.9000111.2
235L31.1Very low33.6Very low140 Ų140138 Ų13873%0.73373%0.732SS**  cis-157169.86.5-154.954000105.7
236V35.4Very low33.8Very low121 Ų121139.2 Ų139.273%0.73373%0.732SS**  cis-147.6168.522.8-159.30000110.1
237E34Very low34Very low166 Ų166139.9 Ų139.978%0.77674%0.737SS**  trans-78-177.4171.4-49.7154.611200111.5
238D31.1Very low33.9Very low135 Ų135139.6 Ų139.672%0.72274%0.74SS**  cis-154.9165.38.5-167.922.3000113.2
239S36.8Very low33.8Very low105 Ų105143 Ų14373%0.73475%0.746SS**  trans10.4159.5150.1-64.50000124.1
240G30.2Very low33.8Very low80 Ų80139.3 Ų139.383%0.82575%0.748SS**  trans158.482.2148.800000118
241G32.4Very low33.9Very low70 Ų70138.5 Ų138.572%0.72276%0.76SS**  trans-71.8156.9-175.800000119.2
242L35.8Very low34Very low142 Ų142136.4 Ų136.474%0.74377%0.766SS**  trans70.3119.4142.2-8566.4000122.7
243K34.8Very low34.1Very low183 Ų183139.9 Ų139.980%0.79677%0.774SS**  79.7118.3128.1-71.3175.7-173.5166.70122.1
244K31Very low34.1Very low187 Ų187137.1 Ų137.181%0.81377%0.774SS**  110.691.4118.4-163.1179-179.1-1730121.4
245R31.1Very low34.4Very low204 Ų204137.9 Ų137.977%0.7778%0.779SS**  trans73.5150.4133.8-77.1-174.7165.2-126.44.1123.4
246H32.6Very low34.5Very low167 Ų167138.1 Ų138.177%0.77379%0.786SS**  trans89.371.3149.9-75.8-62.5000122.8
247S36.2Very low34.5Very low98 Ų98137.4 Ų137.469%0.68579%0.786SS**  41.8124110.4166.40000122.3
248T33.5Very low34.6Very low133 Ų133137.2 Ų137.282%0.81679%0.785SS**  trans-151.7125139.512.80000114.6
249R36.5Very low34.5Very low243 Ų243136 Ų13692%0.91778%0.778SS**  49.7130.1128.4-157.5-177.7-161.2-176.54.9120.7
250G31.8Very low34.2Very low71 Ų71141.3 Ų141.373%0.73278%0.782SS**  cis142.4142.6-12.400000115.8
251S34.5Very low34Very low123 Ų123148.9 Ų148.986%0.8679%0.786SS**  trans-160.8132.9163-83.10000108.2
252A34.8Very low34Very low91 Ų91150.6 Ų150.675%0.75279%0.787SS**  cis87133.440.300000113.6
253K33.7Very low33.6Very low207 Ų207154.7 Ų154.790%0.979%0.793SS**  cis-167.9158.2-15.6-123.7176.6-176.1178.90109.5
254S33.3Very low33.2Very low112 Ų112150.6 Ų150.678%0.78379%0.787SS**  trans-115.8170169.6-46.80000111.6
255P51.3Low33.1Very low118 Ų118153.1 Ų153.177%0.76679%0.791SS**  -156.6154.7124.636.9-17.6000120.1
256V33Very low33Very low145 Ų145153.1 Ų153.188%0.87980%0.8SS**  trans81.6163138.8166.20000121.2
257S37Very low32.8Very low106 Ų106148 Ų14874%0.74179%0.792SS**  trans-153.7153.7-153.356.40000115.5
258Q34.6Very low32.5Very low162 Ų162150.6 Ų150.676%0.75779%0.794SS**  trans-170.8168.4161.9-87.3-135.786.800110.6
259N29.2Very low32.3Very low109 Ų109151.9 Ų151.958%0.58379%0.788SS**  cis-171.7143.3-36.2-169.13.8000111.1
260R30.6Very low31.9Very low217 Ų217149.6 Ų149.682%0.81979%0.785SS**  trans39.8137.2158.3-83.3164.7-170.6-119.62.1123.6
261R26.8Very low31.8Very low238 Ų238151.8 Ų151.890%0.89879%0.789SS**  -157.7173.1106.4-128.1-175.7-177.5-165.41.6113.8
262S31.9Very low31.4Very low106 Ų106157.4 Ų157.474%0.74179%0.791SS**  trans-154.5147.4-172.7-43.90000111.8
263R28Very low30.9Very low229 Ų229165.2 Ų165.286%0.86480%0.801SS**  trans-150.8128.5162.8-86.5-164163.2179.2-6.1106.6
264S26.4Very low30.6Very low97 Ų97160.8 Ų160.868%0.67880%0.796SS**  60.2105.36574.90000112.1
265R29.4Very low30.4Very low240 Ų240167.5 Ų167.591%0.90680%0.804SS**  87.198.751.4-175.1-159.6-171.4-1624.3112.3
266E27.8Very low29.1Very low203 Ų203166.9 Ų166.995%0.94980%0.802SS**  trans-172.2160153.8-107.6158.9-152.500108.2
267G27.6Very low28.9Very low59 Ų59164.8 Ų164.861%0.60879%0.794SS**  cis170127.7-9.800000114.3
268E31.4Very low28.4Very low154 Ų154169.9 Ų169.972%0.7280%0.797SS**  trans67.8168.2150.6-53.8-154.398.500119.4
269K28.8Very low27.9Very low159 Ų159167.9 Ų167.969%0.69179%0.792SS**  cis-148.9124.8-5.4-125.8145.8-176.9152.10106.6
270K28.8Very low27.9Very low196 Ų196167.9 Ų167.985%0.85280%0.8SS**  64.3108.181.6-95.9-172.8177.3178.10117.9
271S27.9Very low27.8Very low116 Ų116162.6 Ų162.681%0.81180%0.797SS**  trans-162.3167.1137.772.70000110.9
272R27.8Very low27.8Very low241 Ų241156.8 Ų156.891%0.90979%0.792SS**  -153137.3-50.6-95.7-172.2-166.4-152.14.2106.8
273R24.5Very low27.6Very low256 Ų256160.3 Ų160.397%0.96680%0.802SS**  trans-149.2131.6148.6-154.7170.7-169.9177.23.3110.1
274S27.4Very low27.7Very low114 Ų114153.6 Ų153.680%0.79780%0.796SS**  trans-82.3153-171-23.30000112.3
275R27.9Very low28Very low253 Ų253157.3 Ų157.396%0.95580%0.802SS**  trans-110.7154149.8-100.5-174.6171.1-174.9-3.8108.1
276S25.3Very low28Very low104 Ų104153.8 Ų153.873%0.72780%0.802SS**  trans-132132.8170.152.90000108.9
277S27Very low28.1Very low101 Ų101147.9 Ų147.971%0.70680%0.795SS**  trans30.9142.3136.457.50000121
278R27.6Very low28.2Very low213 Ų213153.8 Ų153.880%0.80481%0.807SS**  cis-168.7153.13.1-117.9-172159.7150-1.3110.9
279D23.6Very low28.2Very low121 Ų121155.4 Ų155.465%0.64781%0.814SS**  trans40.7161.3133.5-49.2-15.7000123.4
280S29.7Very low28Very low108 Ų108155 Ų15576%0.75582%0.819SS**  trans73.8117.5170.5-55.20000116.4
281S27.2Very low27.9Very low107 Ų107152.1 Ų152.175%0.74881%0.811SS**  71.1134.354.980.90000113.2
282S28.4Very low27.8Very low115 Ų115152.8 Ų152.880%0.80481%0.811SS**  cis-156.9163.67.4410000111
283L26.5Very low27.8Very low180 Ų180151 Ų15194%0.94281%0.81SS**  trans-102.4145.6174.7-77.6169000112.4
284A31.4Very low28Very low89 Ų89148.6 Ų148.674%0.73680%0.801SS**  trans-148.5107.1153.800000104.6
285E31.9Very low27.8Very low175 Ų175151.9 Ų151.982%0.81880%0.797SS**  89106.680.2-82.4-172.516700112.9
286D29.1Very low27.7Very low166 Ų166146.4 Ų146.489%0.88878%0.782SS**  trans53.3137.5143.4-59.40.9000123
287G30.3Very low28.2Very low79 Ų79149 Ų14981%0.81478%0.783SS**  trans166.780.1175.400000113.5
288E30.6Very low28.3Very low183 Ų183156.2 Ų156.286%0.85580%0.795SS**  trans-77.8130.7173.7-60.3-174.911300111.9
289Q29.7Very low28.5Very low187 Ų187149.3 Ų149.387%0.87479%0.789SS**  trans178.2122.7130.5-97.9152.4102.100115.2
290L25.6Very low29Very low150 Ų150150.3 Ų150.379%0.78581%0.806SS**  23.4126.7119.6-107.2164.3000120.2
291I26.6Very low29.1Very low136 Ų136148.8 Ų148.870%0.69781%0.807SS**  trans148.4105.1130.9-77.7156.6000114.5
292T26.6Very low29.4Very low131 Ų131152.2 Ų152.280%0.80482%0.817SS**  trans59.6171.8157.568.10000117.2
293K27.8Very low29.7Very low203 Ų203149.4 Ų149.488%0.88381%0.807SS**  cis-145.8-179.613.4-156.7170.4177.5179.20111.3
294R27.2Very low30.3Very low205 Ų205146.9 Ų146.977%0.77479%0.794SS**  trans-124.9166.2-170.8-165.5-172.7-176.4-171.75.9108.9
295Y24.3Very low30.6Very low183 Ų183150.9 Ų150.972%0.71880%0.8SS**  trans74.1150.6176.6-74-110.1000115.9
296Q26Very low30.9Very low139 Ų139147.3 Ų147.365%0.6579%0.794SS**  cis-162.4144-18.8170.8171.317.200112.8
297E35.1Very low31.2Very low158 Ų158145.3 Ų145.374%0.73879%0.788SS**  trans-3126.5147.4179.6-170.9-140.400121.3
298R30Very low31.7Very low253 Ų253147.3 Ų147.396%0.95579%0.786SS**  trans-178.6147.7140.7-100175.9-176.7-159.80.5106.9
299G31.6Very low32.1Very low67 Ų67145.8 Ų145.869%0.69178%0.782SS**  cis156.2153-5.100000110.6
300S33.3Very low32.4Very low142 Ų142142.6 Ų142.699%0.99378%0.778SS**  trans73.5148.1179.8-156.70000117.1
301G32.2Very low32.8Very low76 Ų76143.2 Ų143.278%0.78478%0.777SS**  trans139.4107177.600000112.6
302D33.1Very low33.2Very low179 Ų179144.4 Ų144.496%0.95779%0.785SS**  trans-99.3155.1176.2-164.3-0.7000110.4
303G34Very low33.7Very low57 Ų57146.2 Ų146.259%0.58878%0.784SS**  trans142.2134.217600000116.6
304D39.5Very low34.1Very low127 Ų127142.5 Ų142.568%0.67978%0.782SS**  trans-38.8133175.2175.115.9000115.7S306D304-S306 PolarHBondContact OD1-N 3.14Å; D304-S306 PolarHBondContact OD1-OG 3.18Å
305M37.7Very low34.3Very low172 Ų172136.8 Ų136.885%0.84779%0.787SS**  trans-136.268.5169.6-78.6-69.5152.100111.2V307M305-V307 PolarHBondContact O-N 3.25Å
306S38.3Very low34.8Very low101 Ų101133.2 Ų133.271%0.70680%0.795SS**  trans-60.8108.5169.5-67.40000112.1D304D304-S306 PolarHBondContact OD1-N 3.14Å; D304-S306 PolarHBondContact OD1-OG 3.18Å
307V36.3Very low35.3Very low124 Ų124130.2 Ų130.275%0.75280%0.802SS**PPolyproline II helixtrans-87.4126.9-175.3-178.90000112.1M305M305-V307 PolarHBondContact O-N 3.25Å
308P39.8Very low35.4Very low121 Ų121132.2 Ų132.279%0.78681%0.811SS**PPolyproline II helixtrans-78126.917630.4-33.6000112.4
309I39.7Very low35.6Very low150 Ų150123.7 Ų123.777%0.76980%0.802SS**PPolyproline II helixtrans-91.5141.2167.7-65.6177.7000108.8Q311I309-Q311 PolarHBondContact O-N 3.37Å
310P35.3Very low36Very low121 Ų121129.3 Ų129.379%0.78681%0.81SS**PPolyproline II helixtrans-68.4117.9-170.8-20.133.2000113.6
311Q33.7Very low36.1Very low162 Ų162126.8 Ų126.876%0.75781%0.806SS**PPolyproline II helixtrans-82.4118166.5-68.9-175.9-12.100110.2I309 H313I309-Q311 PolarHBondContact O-N 3.37Å; Q311-H313 PolarHBondContact O-N 3.42Å
312N36.9Very low36.1Very low161 Ų161127 Ų12786%0.86181%0.808SS**  trans-84.5106.8165.6-86-21000109.1
313H36.1Very low36.2Very low170 Ų170123.7 Ų123.779%0.78781%0.806SS**  trans-62.1136.2175.2-61.8-87.6000112Q311Q311-H313 PolarHBondContact O-N 3.42Å
314C35.3Very low36.7Very low125 Ų125126.2 Ų126.285%0.84582%0.821SS**  trans-136.2133.6162.3-78.40000108.1
315G32.4Very low36.5Very low85 Ų85123.2 Ų123.288%0.87682%0.82SS**  trans-55.3133.1-15400000117
316A35.2Very low37.2Very low108 Ų108122 Ų12289%0.89383%0.825SS**  trans-77.7143.2159.700000110
317G36.1Very low37Very low76 Ų76120.3 Ų120.378%0.78482%0.824SS**  trans-121.7128.3165.300000109
318E37.5Very low37.7Very low199 Ų199120.4 Ų120.493%0.9383%0.83SS**  trans-79.8145.3-174.7-68173.28500112.4
319G34.7Very low37.7Very low74 Ų74120.8 Ų120.876%0.76383%0.825SS**  trans-164.143.1-168.400000116
320H38.5Very low37.9Very low186 Ų186121 Ų12186%0.86183%0.828SS**  trans29.3100.3159.4-76-102.4000120.2
321G35.8Very low38.5Very low88 Ų88118.8 Ų118.891%0.90782%0.815SS**  57.9108122.400000121.1
322G32.3Very low39.8Very low82 Ų82117.3 Ų117.385%0.84581%0.809SS**  trans-134.1150.8159.700000110.8
323A35.5Very low41.1Very low109 Ų109115.2 Ų115.290%0.90180%0.797SS**  trans-86.2165.7-169.900000114.6
324A44.6Very low43.5Very low110 Ų110112.3 Ų112.391%0.90978%0.783SS**  trans-70.5149-167.800000115.7
325G34.1Very low46.1Very low64 Ų64108 Ų10866%0.6675%0.753SS**  trans-147123.7158.800000109.7G327G325-G327 PolarHBondContact O-N 3.18Å
326P53.5Low49.1Very low145 Ų145104 Ų10494%0.94271%0.712SS**  trans-80.671.4179.433.2-34.5000110.6
327G34.7Very low51.8Low67 Ų67100.7 Ų100.769%0.69168%0.676SS**  trans-89.8113.9170.500000110.2G325 D329G325-G327 PolarHBondContact O-N 3.18Å; G327-D329 PolarHBondContact O-N 3.23Å
328S50.6Low54.5Low126 Ų126100.1 Ų100.188%0.88166%0.655SS**  trans-76.689.1173.457.30000110.4
329D40.4Very low57.2Low128 Ų12893.2 Ų93.268%0.68463%0.627SS**  trans-113.576161.2-158-23.8000108.3G327 S331G327-D329 PolarHBondContact O-N 3.23Å; D329-S331 PolarHBondContact O-N 3.15Å; D329-S331 WeakPolarHBondContact OD1-CB 3.44Å; D329-S331 PolarHBondContact OD1-N 3.48Å; D329-S331 PolarHBondContact OD1-OG 3.13Å
330D42.3Very low59.9Low154 Ų15496.6 Ų96.682%0.82462%0.623SS**  trans-75.660.2164.8-167.123.4000108.1E332D330-E332 VanDerWaalsContact C-N 3.34Å; D330-E332 PolarHBondContact O-N 2.72Å
331S49.2Very low62.4Low75 Ų7591.1 Ų91.152%0.52461%0.605SS.*  trans-59.299.5167.7-88.10000107D329 L333D329-S331 PolarHBondContact O-N 3.15Å; D329-S331 WeakPolarHBondContact OD1-CB 3.44Å; D329-S331 PolarHBondContact OD1-N 3.48Å; D329-S331 PolarHBondContact OD1-OG 3.13Å; S331-L333 PolarHBondContact O-N 3.05Å
332E60.3Low65Low131 Ų13192.7 Ų92.761%0.61259%0.589SS**  trans-45.398.2178-77.6-168.29900109.1D330 E334D330-E332 VanDerWaalsContact C-N 3.34Å; D330-E332 PolarHBondContact O-N 2.72Å; E332-E334 PolarHBondContact O-N 2.88Å
333L65.1Low67.6Low117 Ų11790.7 Ų90.761%0.61357%0.568SS**  trans-57.9120.2-173.3-73.5173.1000107.9S331 V335S331-L333 PolarHBondContact O-N 3.05Å; L333-V335 VanDerWaalsContact C-N 3.3Å; L333-V335 HydrophobicContact CB-CG1 4.13Å; L333-V335 PolarHBondContact O-N 3.42Å
334E84.6Confident70Confident109 Ų10990.5 Ų90.551%0.50955%0.552SS.*  trans-64.697.6177.9-63.2-164.1172.300107.4E332 L349 F361E332-E334 PolarHBondContact O-N 2.88Å; E334-L349 VanDerWaalsContact C-CD1 3.45Å; E334-L349 HydrophobicContact CB-CD1 3.72Å; E334-L349 WeakPolarHBondContact O-CD1 3.42Å; E334-F361 HydrophobicContact CB-CD1 4.29Å; E334-F361 HydrophobicContact CB-CD2 4.35Å; E334-F361 HydrophobicContact CB-CE1 4.37Å; E334-F361 HydrophobicContact CB-CE2 4.42Å; E334-F361 HydrophobicContact CB-CG 4.29Å; E334-F361 HydrophobicContact CB-CZ 4.43Å; E334-F361 HydrophobicContact CG-CD1 4.25Å; E334-F361 HydrophobicContact CG-CD2 4.29Å; E334-F361 HydrophobicContact CG-CE1 3.83Å; E334-F361 HydrophobicContact CG-CE2 3.86Å; E334-F361 HydrophobicContact CG-CG 4.47Å; E334-F361 HydrophobicContact CG-CZ 3.61Å; E334-F361 VanDerWaalsContact OE1-CE1 3.27Å; E334-F361 WeakPolarHBondContact OE1-CE1 3.05Å; E334-F361 WeakPolarHBondContact OE1-CZ 3.1Å; E334-F361 WeakPolarHBondContact OE2-CE1 3.43Å
335V91.9Very high71.6Confident35 Ų3594.2 Ų94.221%0.21255%0.55CS.*BIsolated β-bridgetrans-118.4142.1-179.9-65.40000110L333 R337 C341 E342L333-V335 VanDerWaalsContact C-N 3.3Å; L333-V335 HydrophobicContact CB-CG1 4.13Å; L333-V335 PolarHBondContact O-N 3.42Å; V335-R337 PolarHBondContact O-N 3Å; V335-C341 WeakPolarHBondContact CA-O 3.46Å; V335-E342 HydrophobicContact CG1-CG 3.87Å
336C93.7Very high73.7Confident0 Ų098.4 Ų98.40%056%0.557CS.*  trans-65.2117176.9172.30000110.6I338 C339 H340 C341 L349 H363C336-I338 PolarHBondContact O-N 2.86Å; C336-C339 VanDerWaalsContact CB-SG 3.57Å; C336-C339 PolarHBondContact O-N 2.98Å; C336-H340 WeakPolarHBondContact O-CA 3.35Å; C336-H340 PolarHBondContact O-N 2.8Å; C336-C341 PolarHBondContact N-O 2.9Å; C336-L349 HydrophobicContact CB-CD2 3.65Å; C336-H363 WeakPolarHBondContact CB-CE1 3.19Å; C336-H363 WeakPolarHBondContact CB-ND1 3.37Å; C336-H363 PolarHBondContact SG-N 2.73Å; C336-H363 PolarHBondContact SG-ND1 3.2Å; C336-H363 VanDerWaalsContact SG-ND1 3.42Å
337R92.8Very high75.1Confident39 Ų3995 Ų9515%0.14754%0.537CS..THydrogen-bonded Turntrans-59.2-0.2-179.984-173.5-152.9-163.64.6116.5V335 L359 F361 V362 C379 E380V335-R337 PolarHBondContact O-N 3Å; R337-L359 HydrophobicContact CB-CD2 4.42Å; R337-L359 WeakPolarHBondContact CD-O 3.01Å; R337-L359 PolarHBondContact NH1-O 2.97Å; R337-F361 PolarHBondContact N-O 2.78Å; R337-V362 HydrophobicContact CG-CG2 4.13Å; R337-C379 PolarHBondContact NH2-SG 3.4Å; R337-E380 IonicContact CZ-OE1 3.85Å; R337-E380 IonicContact NH2-OE1 2.76Å; R337-E380 PolarHBondContact NH2-OE1 3.39Å
338I92.6Very high77.6Confident65 Ų6595.5 Ų95.533%0.33353%0.527SS..THydrogen-bonded Turntrans-109.7-31.6-177.3-59.7-177.7000112.1C336 V362 C366 W370C336-I338 PolarHBondContact O-N 2.86Å; I338-V362 HydrophobicContact CD1-CG1 3.45Å; I338-V362 VanDerWaalsContact CD1-CG1 3.45Å; I338-V362 HydrophobicContact CG1-CG1 3.9Å; I338-C366 HydrophobicContact CB-CB 4.02Å; I338-C366 HydrophobicContact CD1-CB 4.14Å; I338-C366 HydrophobicContact CG2-CB 4.04Å; I338-W370 HydrophobicContact CD1-CB 4.18Å
339C93.3Very high79.6Confident53 Ų5390.9 Ų90.936%0.35849%0.493SS..THydrogen-bonded Turntrans-123.6-9179.360.70000114.3C336 C341 H363C336-C339 VanDerWaalsContact CB-SG 3.57Å; C336-C339 PolarHBondContact O-N 2.98Å; C339-C341 PolarHBondContact O-N 3.26Å; C339-H363 VanDerWaalsContact SG-CE1 3.56Å; C339-H363 PolarHBondContact SG-ND1 3.22Å; C339-H363 VanDerWaalsContact SG-ND1 3.37Å
340H91.8Very high82Confident145 Ų14585.8 Ų85.867%0.67147%0.465SS*.  trans56.934-177.1-47.3148.7000113.7C336C336-H340 WeakPolarHBondContact O-CA 3.35Å; C336-H340 PolarHBondContact O-N 2.8Å
341C90.8Very high84.5Confident71 Ų7179.8 Ų79.848%0.4843%0.434SS..  trans-109.9148.9169.6-48.90000110.3V335 C336 C339 H363V335-C341 WeakPolarHBondContact CA-O 3.46Å; C336-C341 PolarHBondContact N-O 2.9Å; C339-C341 PolarHBondContact O-N 3.26Å; C341-H363 PolarHBondContact O-CE1 3.28Å
342E91.3Very high86.5Confident122 Ų12276.2 Ų76.257%0.5741%0.409SS*.BIsolated β-bridgetrans-63.1168.6176.3-66.9163.5-15700112.7V335 H363V335-E342 HydrophobicContact CG1-CG 3.87Å; E342-H363 PolarHBondContact O-CE1 3.36Å; E342-H363 PolarHBondContact O-NE2 3.21Å
343G87.1Confident88.1Confident39 Ų3970.2 Ų70.240%0.40238%0.382SS..  trans-77.5146.516900000112.3
344D85.2Confident89.3Confident105 Ų10569.3 Ų69.356%0.56137%0.37SS*.BIsolated β-bridgetrans-131.7160.7174.1-177.721.2000109.4D346 C347 P348D344-D346 PolarHBondContact O-N 3Å; D344-C347 PolarHBondContact N-O 3.28Å; D344-C347 CarbonylContact O-C 3.54Å; D344-C347 WeakPolarHBondContact O-CA 3.5Å; D344-C347 PolarHBondContact O-N 3.06Å; D344-P348 WeakPolarHBondContact O-CA 3.5Å
345E79.1Confident89.6Confident188 Ų18865.1 Ų65.188%0.87935%0.353SS*.THydrogen-bonded Turntrans-57.1-36.8-179.4-70.1-71.7136.500112.2
346D77.8Confident89.5Confident152 Ų15269.4 Ų69.481%0.81338%0.379SS*.THydrogen-bonded Turntrans-79-18.1175.1-104.8-25.2000113.2D344D344-D346 PolarHBondContact O-N 3Å
347C82.1Confident89.2Confident75 Ų7570.9 Ų70.951%0.50740%0.395SS..BIsolated β-bridgetrans-143.469.4-176.7-82.70000112.2D344 H363D344-C347 PolarHBondContact N-O 3.28Å; D344-C347 CarbonylContact O-C 3.54Å; D344-C347 WeakPolarHBondContact O-CA 3.5Å; D344-C347 PolarHBondContact O-N 3.06Å; C347-H363 PolarHBondContact O-CD2 2.86Å
348P88.3Confident88.8Confident76 Ų7671.8 Ų71.849%0.49441%0.407SS..  trans-68.8154.7-178.826.2-35.1000112.7D344D344-P348 WeakPolarHBondContact O-CA 3.5Å
349L91.8Very high88.5Confident30 Ų3072.8 Ų72.816%0.15741%0.412CS..EExtended strand (participates in β ladder)trans-78.6152.3171.7-67.1166.4000111E334 C336 F361 H363E334-L349 VanDerWaalsContact C-CD1 3.45Å; E334-L349 HydrophobicContact CB-CD1 3.72Å; E334-L349 WeakPolarHBondContact O-CD1 3.42Å; C336-L349 HydrophobicContact CB-CD2 3.65Å; L349-F361 HydrophobicContact CD1-CB 4.39Å; L349-F361 HydrophobicContact CD2-CB 4.43Å; L349-H363 VanDerWaalsContact CD2-CD2 3.46Å; L349-H363 WeakPolarHBondContact CD2-CD2 3.23Å
350I92Very high88.4Confident21 Ų2170.8 Ų70.811%0.10840%0.399CS..EExtended strand (participates in β ladder)trans-133.3154.2175.655160.5000110P352 V362 Q364 L367 V508 N510I350-P352 VanDerWaalsContact C-CD 3.43Å; I350-P352 HydrophobicContact CD1-CB 4.42Å; I350-P352 WeakPolarHBondContact O-CD 3.44Å; I350-V362 WeakPolarHBondContact CG1-O 3.29Å; I350-V362 PolarHBondContact N-O 3.18Å; I350-V362 PolarHBondContact O-N 3.13Å; I350-Q364 HydrophobicContact CD1-CB 4.24Å; I350-Q364 VanDerWaalsContact CD1-NE2 3.3Å; I350-L367 HydrophobicContact CD1-CD2 3.7Å; I350-V508 HydrophobicContact CD1-CB 4.49Å; I350-N510 VanDerWaalsContact CA-OD1 3.24Å; I350-N510 WeakPolarHBondContact CA-OD1 3.4Å; I350-N510 WeakPolarHBondContact CB-OD1 3.43Å; I350-N510 WeakPolarHBondContact CG2-OD1 3.28Å
351T93.1Very high88.4Confident27 Ų2765.5 Ų65.517%0.16637%0.374CS..  trans-109.571.6178.647.80000109.9C353 F361 N510 C511T351-C353 PolarHBondContact O-N 3.46Å; T351-F361 HydrophobicContact CG2-CD1 3.83Å; T351-F361 HydrophobicContact CG2-CE1 3.87Å; T351-N510 PolarHBondContact N-OD1 3.03Å; T351-N510 WeakPolarHBondContact O-CA 3.03Å; T351-N510 VanDerWaalsContact OG1-CG 3.25Å; T351-N510 PolarHBondContact OG1-ND2 3.4Å; T351-C511 WeakPolarHBondContact O-CB 3.32Å; T351-C511 PolarHBondContact O-N 3.02Å
352P92.3Very high88.5Confident1 Ų162.1 Ų62.11%0.00635%0.351CS..  trans-70.1-7.7-165.832.4-41.6000114.8I350 V362 L367 F386 V508I350-P352 VanDerWaalsContact C-CD 3.43Å; I350-P352 HydrophobicContact CD1-CB 4.42Å; I350-P352 WeakPolarHBondContact O-CD 3.44Å; P352-V362 HydrophobicContact CG-CG2 3.92Å; P352-L367 HydrophobicContact CB-CD2 3.43Å; P352-L367 VanDerWaalsContact CB-CD2 3.43Å; P352-L367 HydrophobicContact CG-CD1 4.35Å; P352-L367 HydrophobicContact CG-CD2 3.69Å; P352-F386 HydrophobicContact CB-CD1 3.92Å; P352-F386 HydrophobicContact CB-CE1 4.05Å; P352-F386 HydrophobicContact CG-CE1 4.26Å; P352-V508 HydrophobicContact CB-CG1 3.78Å
353C93.4Very high88.6Confident5 Ų557.1 Ų57.13%0.03433%0.328CS..SBendtrans-154.7173.1-170.967.30000112.4T351 C355 C379 F384 F386T351-C353 PolarHBondContact O-N 3.46Å; C353-C355 PolarHBondContact O-N 2.93Å; C353-C355 VanDerWaalsContact O-N 3.14Å; C353-C355 VanDerWaalsContact SG-SG 3.68Å; C353-C379 HydrophobicContact CB-CB 3.63Å; C353-F384 HydrophobicContact CB-CB 4.37Å; C353-F384 HydrophobicContact CB-CD1 4.11Å; C353-F386 HydrophobicContact CB-CE1 4.17Å
354R91.4Very high88.8Confident97 Ų9757.8 Ų57.837%0.36632%0.321SS..SBendtrans-85.635.3-176.3-55.8-169.9-177.8-70.11.2113.9F384 C511 P512R354-F384 HydrophobicContact CG-CB 4.41Å; R354-F384 HydrophobicContact CG-CD1 4.48Å; R354-F384 HydrophobicContact CG-CD2 3.96Å; R354-F384 HydrophobicContact CG-CE2 4.39Å; R354-F384 HydrophobicContact CG-CG 4.02Å; R354-C511 WeakPolarHBondContact CG-SG 3.37Å; R354-C511 PolarHBondContact NH1-SG 3.29Å; R354-P512 PolarHBondContact NH1-O 2.89Å
355C90.9Very high89Confident21 Ų2155.2 Ų55.214%0.14232%0.319CS..  trans-79.7160.8166.6-67.40000110C353 L359 S360 C382C353-C355 PolarHBondContact O-N 2.93Å; C353-C355 VanDerWaalsContact O-N 3.14Å; C353-C355 VanDerWaalsContact SG-SG 3.68Å; C355-L359 HydrophobicContact CB-CB 4.38Å; C355-L359 WeakPolarHBondContact CB-O 3.44Å; C355-S360 WeakPolarHBondContact O-CB 3.13Å; C355-C382 VanDerWaalsContact SG-SG 3.62Å
356T89.2Confident89.6Confident126 Ų12647.7 Ų47.777%0.77329%0.287SS*.  trans-123158.3-178.650.60000111.1
357G86.6Confident90.2Very high31 Ų3140.6 Ų40.632%0.3225%0.249SC..G310 helixtrans62-157.3-174.400000112.6L359 S360G357-L359 PolarHBondContact O-N 3.06Å; G357-S360 VanDerWaalsContact O-CB 3.29Å; G357-S360 WeakPolarHBondContact O-CB 3.37Å; G357-S360 PolarHBondContact O-N 3.1Å; G357-S360 PolarHBondContact O-OG 2.83Å
358S84.5Confident90.6Very high57 Ų5738 Ų3840%0.39923%0.23SC..G310 helixtrans-48.6-27.9177.957.20000115.9S360S358-S360 PolarHBondContact O-N 3.19Å
359L87.1Confident90.7Very high86 Ų8641.2 Ų41.245%0.4524%0.238SC..G310 helixtrans-75.1-4.7177.4-63.1179.7000114.4R337 C355 G357 L381R337-L359 HydrophobicContact CB-CD2 4.42Å; R337-L359 WeakPolarHBondContact CD-O 3.01Å; R337-L359 PolarHBondContact NH1-O 2.97Å; C355-L359 HydrophobicContact CB-CB 4.38Å; C355-L359 WeakPolarHBondContact CB-O 3.44Å; G357-L359 PolarHBondContact O-N 3.06Å; L359-L381 HydrophobicContact CB-CD1 4.49Å; L359-L381 HydrophobicContact CD1-CD1 4.01Å
360S90.3Very high90.7Very high12 Ų1244.6 Ų44.68%0.08425%0.249CC..G310 helixtrans-80.8-33.6175.870.60000113.2C355 G357 S358C355-S360 WeakPolarHBondContact O-CB 3.13Å; G357-S360 VanDerWaalsContact O-CB 3.29Å; G357-S360 WeakPolarHBondContact O-CB 3.37Å; G357-S360 PolarHBondContact O-N 3.1Å; G357-S360 PolarHBondContact O-OG 2.83Å; S358-S360 PolarHBondContact O-N 3.19Å
361F92.1Very high90.6Very high34 Ų3444.5 Ų44.515%0.14925%0.248CC..  trans-89.1134.3-170.2-56.1-76.7000113.7E334 R337 L349 T351E334-F361 HydrophobicContact CB-CD1 4.29Å; E334-F361 HydrophobicContact CB-CD2 4.35Å; E334-F361 HydrophobicContact CB-CE1 4.37Å; E334-F361 HydrophobicContact CB-CE2 4.42Å; E334-F361 HydrophobicContact CB-CG 4.29Å; E334-F361 HydrophobicContact CB-CZ 4.43Å; E334-F361 HydrophobicContact CG-CD1 4.25Å; E334-F361 HydrophobicContact CG-CD2 4.29Å; E334-F361 HydrophobicContact CG-CE1 3.83Å; E334-F361 HydrophobicContact CG-CE2 3.86Å; E334-F361 HydrophobicContact CG-CG 4.47Å; E334-F361 HydrophobicContact CG-CZ 3.61Å; E334-F361 VanDerWaalsContact OE1-CE1 3.27Å; E334-F361 WeakPolarHBondContact OE1-CE1 3.05Å; E334-F361 WeakPolarHBondContact OE1-CZ 3.1Å; E334-F361 WeakPolarHBondContact OE2-CE1 3.43Å; R337-F361 PolarHBondContact N-O 2.78Å; L349-F361 HydrophobicContact CD1-CB 4.39Å; L349-F361 HydrophobicContact CD2-CB 4.43Å; T351-F361 HydrophobicContact CG2-CD1 3.83Å; T351-F361 HydrophobicContact CG2-CE1 3.87Å
362V93.3Very high90.3Very high0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-148.6141.4177.8-158.70000110.1R337 I338 I350 P352 C366 L367R337-V362 HydrophobicContact CG-CG2 4.13Å; I338-V362 HydrophobicContact CD1-CG1 3.45Å; I338-V362 VanDerWaalsContact CD1-CG1 3.45Å; I338-V362 HydrophobicContact CG1-CG1 3.9Å; I350-V362 WeakPolarHBondContact CG1-O 3.29Å; I350-V362 PolarHBondContact N-O 3.18Å; I350-V362 PolarHBondContact O-N 3.13Å; P352-V362 HydrophobicContact CG-CG2 3.92Å; V362-C366 HydrophobicContact CG1-CB 4.31Å; V362-L367 HydrophobicContact CB-CB 4.43Å; V362-L367 HydrophobicContact CG1-CB 3.85Å
363H93.3Very high90.1Very high17 Ų1755.5 Ų55.58%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-67.1141.8167.4-60.2122000110.7C336 C339 C341 E342 C347 L349 G365 C366 L367C336-H363 WeakPolarHBondContact CB-CE1 3.19Å; C336-H363 WeakPolarHBondContact CB-ND1 3.37Å; C336-H363 PolarHBondContact SG-N 2.73Å; C336-H363 PolarHBondContact SG-ND1 3.2Å; C336-H363 VanDerWaalsContact SG-ND1 3.42Å; C339-H363 VanDerWaalsContact SG-CE1 3.56Å; C339-H363 PolarHBondContact SG-ND1 3.22Å; C339-H363 VanDerWaalsContact SG-ND1 3.37Å; C341-H363 PolarHBondContact O-CE1 3.28Å; E342-H363 PolarHBondContact O-CE1 3.36Å; E342-H363 PolarHBondContact O-NE2 3.21Å; C347-H363 PolarHBondContact O-CD2 2.86Å; L349-H363 VanDerWaalsContact CD2-CD2 3.46Å; L349-H363 WeakPolarHBondContact CD2-CD2 3.23Å; H363-G365 PolarHBondContact O-N 3.46Å; H363-G365 VanDerWaalsContact O-N 3.14Å; H363-C366 HydrophobicContact CB-CB 4.24Å; H363-C366 PolarHBondContact O-N 3.49Å; H363-L367 PolarHBondContact O-N 2.97Å
364Q90.4Very high89.9Confident53 Ų5357.4 Ų57.425%0.24832%0.319CS..Hα-helixtrans-54.1-34.6172.517683.8132.500111.9I350 N368 V508I350-Q364 HydrophobicContact CD1-CB 4.24Å; I350-Q364 VanDerWaalsContact CD1-NE2 3.3Å; Q364-N368 WeakPolarHBondContact O-CB 3.47Å; Q364-N368 PolarHBondContact O-N 3.41Å; Q364-N368 PolarHBondContact O-ND2 3.41Å; Q364-V508 PolarHBondContact NE2-O 3.27Å; Q364-V508 PolarHBondContact OE1-O 3.09Å
365G89.7Confident89.7Confident51 Ų5159 Ų5953%0.52634%0.335SS..Hα-helixtrans-64.5-55.2175.200000113.2H363 L367 N368 Q369H363-G365 PolarHBondContact O-N 3.46Å; H363-G365 VanDerWaalsContact O-N 3.14Å; G365-L367 PolarHBondContact O-N 3.02Å; G365-N368 PolarHBondContact O-N 2.98Å; G365-Q369 PolarHBondContact O-N 3.17Å
366C91.6Very high89.6Confident30 Ų3060.6 Ų60.620%0.20334%0.344CS..Hα-helixtrans-60.4-46.2-178.8-62.70000112.2I338 V362 H363 N368 Q369 W370I338-C366 HydrophobicContact CB-CB 4.02Å; I338-C366 HydrophobicContact CD1-CB 4.14Å; I338-C366 HydrophobicContact CG2-CB 4.04Å; V362-C366 HydrophobicContact CG1-CB 4.31Å; H363-C366 HydrophobicContact CB-CB 4.24Å; H363-C366 PolarHBondContact O-N 3.49Å; C366-N368 PolarHBondContact O-N 2.83Å; C366-Q369 WeakPolarHBondContact O-CB 3.19Å; C366-Q369 PolarHBondContact O-N 3.39Å; C366-W370 PolarHBondContact O-N 3.42Å
367L91.9Very high89.7Confident3 Ų362.8 Ų62.82%0.01634%0.338CS..Hα-helixtrans-61.6-44.2176.8-175.467.2000112I350 P352 V362 H363 G365 Q369 W370 I371 F386 V508I350-L367 HydrophobicContact CD1-CD2 3.7Å; P352-L367 HydrophobicContact CB-CD2 3.43Å; P352-L367 VanDerWaalsContact CB-CD2 3.43Å; P352-L367 HydrophobicContact CG-CD1 4.35Å; P352-L367 HydrophobicContact CG-CD2 3.69Å; V362-L367 HydrophobicContact CB-CB 4.43Å; V362-L367 HydrophobicContact CG1-CB 3.85Å; H363-L367 PolarHBondContact O-N 2.97Å; G365-L367 PolarHBondContact O-N 3.02Å; L367-Q369 PolarHBondContact O-N 3.14Å; L367-W370 PolarHBondContact O-N 2.61Å; L367-I371 HydrophobicContact CD1-CD1 4.1Å; L367-I371 HydrophobicContact CD1-CG1 4.46Å; L367-I371 HydrophobicContact CD2-CD1 4.46Å; L367-I371 HydrophobicContact CG-CD1 3.83Å; L367-I371 WeakPolarHBondContact O-CG1 3.3Å; L367-I371 PolarHBondContact O-N 2.98Å; L367-F386 HydrophobicContact CD1-CE1 4.24Å; L367-F386 HydrophobicContact CD1-CE2 4.39Å; L367-F386 HydrophobicContact CD1-CZ 3.95Å; L367-V508 HydrophobicContact CD2-CB 3.72Å; L367-V508 HydrophobicContact CD2-CG1 3.77Å; L367-V508 HydrophobicContact CD2-CG2 3.91Å; L367-V508 HydrophobicContact CG-CG2 4.49Å
368N89.9Confident89.9Confident21 Ų2163.3 Ų63.311%0.11234%0.337CS..Hα-helixtrans-68.4-15.5176.1-77.2-31.6000113.1Q364 G365 C366 K372 I506Q364-N368 WeakPolarHBondContact O-CB 3.47Å; Q364-N368 PolarHBondContact O-N 3.41Å; Q364-N368 PolarHBondContact O-ND2 3.41Å; G365-N368 PolarHBondContact O-N 2.98Å; C366-N368 PolarHBondContact O-N 2.83Å; N368-K372 VanDerWaalsContact O-CD 3.23Å; N368-K372 WeakPolarHBondContact O-CD 3.18Å; N368-K372 WeakPolarHBondContact O-CE 3.23Å; N368-K372 WeakPolarHBondContact O-CG 3.5Å; N368-K372 PolarHBondContact O-NZ 3.01Å; N368-I506 PolarHBondContact OD1-O 3.49Å
369Q89.7Confident90.3Very high143 Ų14360.6 Ų60.667%0.66832%0.318SS*.Hα-helixtrans-85.5-46.7170.3-177161-32.600110.4G365 C366 L367 I371 K372 S373G365-Q369 PolarHBondContact O-N 3.17Å; C366-Q369 WeakPolarHBondContact O-CB 3.19Å; C366-Q369 PolarHBondContact O-N 3.39Å; L367-Q369 PolarHBondContact O-N 3.14Å; Q369-I371 PolarHBondContact O-N 3.41Å; Q369-K372 WeakPolarHBondContact O-CB 3.45Å; Q369-K372 PolarHBondContact O-N 3.24Å; Q369-S373 PolarHBondContact O-N 3.31Å; Q369-S373 VanDerWaalsContact O-N 3.1Å; Q369-S373 PolarHBondContact O-OG 3.39Å; Q369-S373 VanDerWaalsContact O-OG 3.13Å
370W91.4Very high90.6Very high101 Ų10160.4 Ų60.438%0.38331%0.314SS..Hα-helixtrans-51.2-54.6175.7-175.2-98.1000112.2I338 C366 L367 K372 S373 S374 E380I338-W370 HydrophobicContact CD1-CB 4.18Å; C366-W370 PolarHBondContact O-N 3.42Å; L367-W370 PolarHBondContact O-N 2.61Å; W370-K372 PolarHBondContact O-N 2.81Å; W370-S373 WeakPolarHBondContact CA-OG 3.5Å; W370-S373 PolarHBondContact O-N 2.94Å; W370-S373 PolarHBondContact O-OG 3.48Å; W370-S374 PolarHBondContact O-N 3.28Å; W370-S374 PolarHBondContact O-OG 2.84Å; W370-S374 VanDerWaalsContact O-OG 3.05Å; W370-E380 WeakPolarHBondContact CZ2-OE2 3.27Å
371I90.8Very high90.7Very high18 Ų1864.3 Ų64.39%0.09233%0.334CS..Hα-helixtrans-57.5-33.9179-69.2166.6000112.1L367 Q369 D375 F386 M388 V508L367-I371 HydrophobicContact CD1-CD1 4.1Å; L367-I371 HydrophobicContact CD1-CG1 4.46Å; L367-I371 HydrophobicContact CD2-CD1 4.46Å; L367-I371 HydrophobicContact CG-CD1 3.83Å; L367-I371 WeakPolarHBondContact O-CG1 3.3Å; L367-I371 PolarHBondContact O-N 2.98Å; Q369-I371 PolarHBondContact O-N 3.41Å; I371-D375 VanDerWaalsContact O-CA 3.3Å; I371-D375 WeakPolarHBondContact O-CA 3.2Å; I371-D375 PolarHBondContact O-N 3.37Å; I371-F386 HydrophobicContact CD1-CD2 3.71Å; I371-F386 HydrophobicContact CD1-CE2 3.94Å; I371-F386 HydrophobicContact CD1-CG 4.43Å; I371-F386 HydrophobicContact CG1-CD2 4.16Å; I371-F386 HydrophobicContact CG1-CE2 4Å; I371-M388 HydrophobicContact CD1-CE 4.07Å; I371-M388 HydrophobicContact CG2-CE 4.13Å; I371-V508 HydrophobicContact CD1-CG2 3.67Å
372K87.1Confident90.7Very high164 Ų16465.1 Ų65.171%0.71334%0.343SS*.Hα-helixtrans-75.4-27.4177.3-69.7174.5-164.1119.70113.2N368 Q369 W370N368-K372 VanDerWaalsContact O-CD 3.23Å; N368-K372 WeakPolarHBondContact O-CD 3.18Å; N368-K372 WeakPolarHBondContact O-CE 3.23Å; N368-K372 WeakPolarHBondContact O-CG 3.5Å; N368-K372 PolarHBondContact O-NZ 3.01Å; Q369-K372 WeakPolarHBondContact O-CB 3.45Å; Q369-K372 PolarHBondContact O-N 3.24Å; W370-K372 PolarHBondContact O-N 2.81Å
373S87.1Confident90.7Very high95 Ų9571.9 Ų71.966%0.66437%0.373SS*.Hα-helixtrans-86.7-27.7176.342.40000113.5Q369 W370Q369-S373 PolarHBondContact O-N 3.31Å; Q369-S373 VanDerWaalsContact O-N 3.1Å; Q369-S373 PolarHBondContact O-OG 3.39Å; Q369-S373 VanDerWaalsContact O-OG 3.13Å; W370-S373 WeakPolarHBondContact CA-OG 3.5Å; W370-S373 PolarHBondContact O-N 2.94Å; W370-S373 PolarHBondContact O-OG 3.48Å
374S89.5Confident90.6Very high45 Ų4573.4 Ų73.432%0.31538%0.379SS..Hα-helixtrans-98.1-21.6-178.565.70000114.5W370 T376W370-S374 PolarHBondContact O-N 3.28Å; W370-S374 PolarHBondContact O-OG 2.84Å; W370-S374 VanDerWaalsContact O-OG 3.05Å; S374-T376 PolarHBondContact O-N 3.23Å; S374-T376 VanDerWaalsContact O-N 3.13Å; S374-T376 PolarHBondContact OG-N 2.85Å; S374-T376 VanDerWaalsContact OG-N 3.15Å; S374-T376 PolarHBondContact OG-OG1 3.36Å
375D88Confident90.6Very high130 Ų13076.1 Ų76.170%0.69540%0.396SS*.  trans52.819-164.7-154.623.3000114I371I371-D375 VanDerWaalsContact O-CA 3.3Å; I371-D375 WeakPolarHBondContact O-CA 3.2Å; I371-D375 PolarHBondContact O-N 3.37Å
376T89Confident90.7Very high55 Ų5574.4 Ų74.434%0.33737%0.374SS..  trans-84.7139.7179.158.70000111.8S374S374-T376 PolarHBondContact O-N 3.23Å; S374-T376 VanDerWaalsContact O-N 3.13Å; S374-T376 PolarHBondContact OG-N 2.85Å; S374-T376 VanDerWaalsContact OG-N 3.15Å; S374-T376 PolarHBondContact OG-OG1 3.36Å
377R89.8Confident90.5Very high172 Ų17275.9 Ų75.965%0.64938%0.379SS*.  trans-109.1-2.2179.4-57.8-166.5-173.3176.36.7114.9F386 M388R377-F386 VanDerWaalsContact C-CD2 3.46Å; R377-F386 WeakPolarHBondContact O-CB 3.48Å; R377-F386 VanDerWaalsContact O-CD2 3.23Å; R377-F386 WeakPolarHBondContact O-CD2 3.49Å; R377-F386 PolarHBondContact O-N 3.09Å; R377-M388 HydrophobicContact CB-CE 3.78Å; R377-M388 HydrophobicContact CG-CE 3.84Å; R377-M388 HydrophobicContact CG-SD 4.41Å
378C91.3Very high90.2Very high43 Ų4378.4 Ų78.429%0.29139%0.391SS..BIsolated β-bridgetrans-124.6158.9176.1630000111F384 D385 F386C378-F384 CarbonylContact C-O 3.56Å; C378-F384 VanDerWaalsContact CA-O 3.29Å; C378-F384 WeakPolarHBondContact CA-O 3.49Å; C378-D385 WeakPolarHBondContact CB-OD1 3.45Å; C378-F386 WeakPolarHBondContact O-CE2 3.33Å
379C93.2Very high89.7Confident0 Ų080.7 Ų80.70%040%0.401CS..  trans-68.1131.6176-178.10000111.2R337 C353 L381 K383 F384 F386R337-C379 PolarHBondContact NH2-SG 3.4Å; C353-C379 HydrophobicContact CB-CB 3.63Å; C379-L381 PolarHBondContact O-N 2.82Å; C379-K383 WeakPolarHBondContact O-CA 3.3Å; C379-K383 PolarHBondContact O-N 3.32Å; C379-F384 PolarHBondContact N-O 2.89Å; C379-F386 HydrophobicContact CB-CE1 3.86Å; C379-F386 HydrophobicContact CB-CZ 4Å
380E92.9Very high89.1Confident81 Ų8178.3 Ų78.338%0.37940%0.396SS..THydrogen-bonded Turntrans-60.5-29.7-178.967.6-134.8129.800114.2R337 W370 K383R337-E380 IonicContact CZ-OE1 3.85Å; R337-E380 IonicContact NH2-OE1 2.76Å; R337-E380 PolarHBondContact NH2-OE1 3.39Å; W370-E380 WeakPolarHBondContact CZ2-OE2 3.27Å; E380-K383 WeakPolarHBondContact O-CE 3.48Å; E380-K383 PolarHBondContact O-NZ 3.43Å
381L92.6Very high88.2Confident95 Ų9578.3 Ų78.350%0.49740%0.399SS..THydrogen-bonded Turntrans-83.8-79.3-179.8-56.3177.6000110.9L359 C379 K383L359-L381 HydrophobicContact CB-CD1 4.49Å; L359-L381 HydrophobicContact CD1-CD1 4.01Å; C379-L381 PolarHBondContact O-N 2.82Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.29Å
382C91.9Very high87.1Confident51 Ų5180.7 Ų80.735%0.34541%0.412SS..THydrogen-bonded Turntrans-78.92.5-174.164.70000115.6C355 F384C355-C382 VanDerWaalsContact SG-SG 3.62Å; C382-F384 PolarHBondContact O-N 2.87Å
383K93.2Very high86.5Confident142 Ų14274.7 Ų74.762%0.61739%0.386SS*.  trans55.97.4179.9-49.7-52.4-173.9-171.50116.6C379 E380 L381 D385C379-K383 WeakPolarHBondContact O-CA 3.3Å; C379-K383 PolarHBondContact O-N 3.32Å; E380-K383 WeakPolarHBondContact O-CE 3.48Å; E380-K383 PolarHBondContact O-NZ 3.43Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.29Å; K383-D385 PolarHBondContact O-N 3.09Å
384F91.7Very high85.6Confident48 Ų4873.7 Ų73.721%0.21138%0.377CS..PPolyproline II helixtrans-65130.1175.8-178.1-99.8000111.3C353 R354 C378 C379 C382 I387 C511C353-F384 HydrophobicContact CB-CB 4.37Å; C353-F384 HydrophobicContact CB-CD1 4.11Å; R354-F384 HydrophobicContact CG-CB 4.41Å; R354-F384 HydrophobicContact CG-CD1 4.48Å; R354-F384 HydrophobicContact CG-CD2 3.96Å; R354-F384 HydrophobicContact CG-CE2 4.39Å; R354-F384 HydrophobicContact CG-CG 4.02Å; C378-F384 CarbonylContact C-O 3.56Å; C378-F384 VanDerWaalsContact CA-O 3.29Å; C378-F384 WeakPolarHBondContact CA-O 3.49Å; C379-F384 PolarHBondContact N-O 2.89Å; C382-F384 PolarHBondContact O-N 2.87Å; F384-I387 HydrophobicContact CE1-CG1 4.43Å; F384-I387 HydrophobicContact CZ-CD1 4.44Å; F384-I387 HydrophobicContact CZ-CG1 4.48Å; F384-C511 HydrophobicContact CE1-CB 3.88Å; F384-C511 WeakPolarHBondContact CE1-SG 3.41Å; F384-C511 HydrophobicContact CZ-CB 4.37Å; F384-C511 WeakPolarHBondContact CZ-SG 3.46Å
385D90.6Very high84.2Confident111 Ų11178.1 Ų78.159%0.59440%0.396SS*.BIsolated β-bridgetrans-67.3131.6175.4-70.7-58.9000111.9C378 K383C378-D385 WeakPolarHBondContact CB-OD1 3.45Å; K383-D385 PolarHBondContact O-N 3.09Å
386F90.8Very high83Confident15 Ų1577.1 Ų77.17%0.06640%0.4CS..PPolyproline II helixtrans-70.1133.4179.8-63.1-49.6000111.1P352 C353 L367 I371 R377 C378 C379 M388 V508P352-F386 HydrophobicContact CB-CD1 3.92Å; P352-F386 HydrophobicContact CB-CE1 4.05Å; P352-F386 HydrophobicContact CG-CE1 4.26Å; C353-F386 HydrophobicContact CB-CE1 4.17Å; L367-F386 HydrophobicContact CD1-CE1 4.24Å; L367-F386 HydrophobicContact CD1-CE2 4.39Å; L367-F386 HydrophobicContact CD1-CZ 3.95Å; I371-F386 HydrophobicContact CD1-CD2 3.71Å; I371-F386 HydrophobicContact CD1-CE2 3.94Å; I371-F386 HydrophobicContact CD1-CG 4.43Å; I371-F386 HydrophobicContact CG1-CD2 4.16Å; I371-F386 HydrophobicContact CG1-CE2 4Å; R377-F386 VanDerWaalsContact C-CD2 3.46Å; R377-F386 WeakPolarHBondContact O-CB 3.48Å; R377-F386 VanDerWaalsContact O-CD2 3.23Å; R377-F386 WeakPolarHBondContact O-CD2 3.49Å; R377-F386 PolarHBondContact O-N 3.09Å; C378-F386 WeakPolarHBondContact O-CE2 3.33Å; C379-F386 HydrophobicContact CB-CE1 3.86Å; C379-F386 HydrophobicContact CB-CZ 4Å; F386-M388 HydrophobicContact CB-CE 3.9Å; F386-M388 HydrophobicContact CB-CG 4.24Å; F386-M388 HydrophobicContact CD2-CE 4.03Å; F386-M388 HydrophobicContact CG-CE 4.48Å; F386-M388 PolarHBondContact O-N 3.3Å; F386-V508 HydrophobicContact CB-CG1 3.85Å; F386-V508 HydrophobicContact CB-CG2 4.36Å; F386-V508 HydrophobicContact CD1-CG1 4.39Å; F386-V508 HydrophobicContact CG-CG1 4.34Å
387I87.9Confident81.8Confident61 Ų6182 Ų8231%0.31342%0.416SS..  trans-76.890.6178-59.4179.5000109F384 V508 Q509 P512F384-I387 HydrophobicContact CE1-CG1 4.43Å; F384-I387 HydrophobicContact CZ-CD1 4.44Å; F384-I387 HydrophobicContact CZ-CG1 4.48Å; I387-V508 CarbonylContact O-C 3.6Å; I387-V508 WeakPolarHBondContact O-CA 3.27Å; I387-Q509 HydrophobicContact CB-CB 4.33Å; I387-Q509 HydrophobicContact CG2-CB 4.15Å; I387-Q509 PolarHBondContact O-N 2.77Å; I387-P512 HydrophobicContact CD1-CG 4.33Å
388M86Confident81Confident56 Ų5676.4 Ų76.428%0.27640%0.395SS..EExtended strand (participates in β ladder)trans-92.1108.2-174-66.8-168.6-171.800112.9I371 R377 F386 I506 V508I371-M388 HydrophobicContact CD1-CE 4.07Å; I371-M388 HydrophobicContact CG2-CE 4.13Å; R377-M388 HydrophobicContact CB-CE 3.78Å; R377-M388 HydrophobicContact CG-CE 3.84Å; R377-M388 HydrophobicContact CG-SD 4.41Å; F386-M388 HydrophobicContact CB-CE 3.9Å; F386-M388 HydrophobicContact CB-CG 4.24Å; F386-M388 HydrophobicContact CD2-CE 4.03Å; F386-M388 HydrophobicContact CG-CE 4.48Å; F386-M388 PolarHBondContact O-N 3.3Å; M388-I506 HydrophobicContact CB-CG2 3.86Å; M388-I506 HydrophobicContact CG-CG2 3.97Å; M388-I506 HydrophobicContact SD-CG2 3.93Å; M388-V508 HydrophobicContact CG-CG2 4.29Å
389E79.4Confident79.9Confident69 Ų6978.9 Ų78.932%0.32240%0.402SS..EExtended strand (participates in β ladder)trans-89.9142.8166.9-71.6-170.8111.500111.9K391 I506 T507 Q509E389-K391 WeakPolarHBondContact OE2-CE 3.44Å; E389-K391 IonicContact OE2-NZ 2.62Å; E389-K391 PolarHBondContact OE2-NZ 3.43Å; E389-I506 WeakPolarHBondContact O-CA 3.36Å; E389-T507 PolarHBondContact N-O 3Å; E389-T507 PolarHBondContact O-N 2.92Å; E389-T507 PolarHBondContact O-OG1 3.39Å; E389-Q509 HydrophobicContact CG-CG 4.37Å; E389-Q509 PolarHBondContact OE2-NE2 3.25Å
390T77.5Confident78.6Confident92 Ų9287.7 Ų87.756%0.56444%0.441SS*.  trans-102.978.817644.80000112.4R504 I505 I506T390-R504 HydrophobicContact CG2-CG 4.29Å; T390-I505 CarbonylContact C-O 3.6Å; T390-I505 WeakPolarHBondContact CA-O 3.49Å; T390-I506 HydrophobicContact CG2-CG1 4.17Å
391K71.3Confident77.4Confident101 Ų10185.2 Ų85.244%0.43943%0.43SS..PPolyproline II helixtrans-81.3137.1177-69.3173.8-176.1157.80111.1E389 I505E389-K391 WeakPolarHBondContact OE2-CE 3.44Å; E389-K391 IonicContact OE2-NZ 2.62Å; E389-K391 PolarHBondContact OE2-NZ 3.43Å; K391-I505 PolarHBondContact N-O 3.41Å; K391-I505 WeakPolarHBondContact O-CA 3.49Å; K391-I505 PolarHBondContact O-N 2.97Å
392L69.4Low76.1Confident69 Ų6988.4 Ų88.436%0.36144%0.442SS..BIsolated β-bridgetrans-72.6146.9167.4-58.1179.3000108.9W398 K500 R504L392-W398 HydrophobicContact CD1-CZ2 4.3Å; L392-K500 HydrophobicContact CD1-CD 4.32Å; L392-K500 HydrophobicContact CD1-CG 4.18Å; L392-K500 HydrophobicContact CD2-CG 3.75Å; L392-R504 HydrophobicContact CD2-CB 4.17Å
393K72.6Confident75.2Confident38 Ų3888.3 Ų88.317%0.16544%0.437CS..PPolyproline II helixtrans-49.9142.5163.7-75.7174.8178.1172.20108.6L395 W398 E399 N503 I505K393-L395 PolarHBondContact O-N 3.14Å; K393-W398 PolarHBondContact O-NE1 3.24Å; K393-E399 IonicContact NZ-OE1 2.61Å; K393-E399 PolarHBondContact NZ-OE1 3.01Å; K393-E399 IonicContact NZ-OE2 3.93Å; K393-N503 HydrophobicContact CB-CB 4.48Å; K393-N503 HydrophobicContact CD-CB 4.5Å; K393-N503 PolarHBondContact N-O 3.49Å; K393-I505 HydrophobicContact CD-CD1 4.27Å; K393-I505 HydrophobicContact CG-CD1 3.47Å; K393-I505 VanDerWaalsContact CG-CD1 3.47Å; K393-I505 HydrophobicContact CG-CG1 3.86Å
394P69.8Low74.7Confident74 Ų7484.6 Ų84.648%0.48143%0.427SS..PPolyproline II helixtrans-59.3141.5168.226-33.1000108.8S396 K397 W398P394-S396 PolarHBondContact O-N 3.38Å; P394-K397 HydrophobicContact CG-CB 4.15Å; P394-K397 HydrophobicContact CG-CD 4.13Å; P394-K397 HydrophobicContact CG-CG 4.11Å; P394-K397 PolarHBondContact O-N 2.77Å; P394-W398 VanDerWaalsContact O-CD1 3.31Å
395L60.3Low74.2Confident137 Ų13791.3 Ų91.372%0.71746%0.456SS*.G310 helixtrans-55.9-27.4-168.4-61.3-178.4000113.9K393 W398K393-L395 PolarHBondContact O-N 3.14Å; L395-W398 HydrophobicContact CD2-CD2 4.06Å; L395-W398 HydrophobicContact CD2-CH2 4.18Å; L395-W398 HydrophobicContact CD2-CZ2 3.63Å; L395-W398 PolarHBondContact O-N 3.2Å
396S61.7Low73.9Confident110 Ų11089.5 Ų89.577%0.76945%0.451SS*.G310 helixtrans-66.6-31174.350.30000114.2P394P394-S396 PolarHBondContact O-N 3.38Å
397K63.5Low73.5Confident158 Ų15892.7 Ų92.769%0.68747%0.466SS*.G310 helixtrans-96.416.2177.3-60.8-172.6179.6-1760112.5P394 E399P394-K397 HydrophobicContact CG-CB 4.15Å; P394-K397 HydrophobicContact CG-CD 4.13Å; P394-K397 HydrophobicContact CG-CG 4.11Å; P394-K397 PolarHBondContact O-N 2.77Å; K397-E399 PolarHBondContact O-N 3.03Å
398W74Confident73.3Confident53 Ų5394.9 Ų94.920%0.20147%0.471CS..  trans-71.9123.5178.3-86.131.7000112.1L392 K393 P394 L395 L499 N503L392-W398 HydrophobicContact CD1-CZ2 4.3Å; K393-W398 PolarHBondContact O-NE1 3.24Å; P394-W398 VanDerWaalsContact O-CD1 3.31Å; L395-W398 HydrophobicContact CD2-CD2 4.06Å; L395-W398 HydrophobicContact CD2-CH2 4.18Å; L395-W398 HydrophobicContact CD2-CZ2 3.63Å; L395-W398 PolarHBondContact O-N 3.2Å; W398-L499 HydrophobicContact CE3-CD1 4.38Å; W398-L499 HydrophobicContact CE3-CD2 3.96Å; W398-L499 HydrophobicContact CE3-CG 3.92Å; W398-L499 HydrophobicContact CZ3-CD2 3.69Å; W398-L499 HydrophobicContact CZ3-CG 3.69Å; W398-N503 WeakPolarHBondContact CA-OD1 3.33Å; W398-N503 HydrophobicContact CD2-CB 3.85Å; W398-N503 HydrophobicContact CE3-CB 4.42Å; W398-N503 HydrophobicContact CG-CB 4.07Å; W398-N503 HydrophobicContact CZ2-CB 4.21Å
399E68Low73.4Confident95 Ų95100.8 Ų100.844%0.44449%0.49SS..  trans-75.5135.3175.8-81.9161.1-125.700110.8K393 K397 L401 F502 N503K393-E399 IonicContact NZ-OE1 2.61Å; K393-E399 PolarHBondContact NZ-OE1 3.01Å; K393-E399 IonicContact NZ-OE2 3.93Å; K397-E399 PolarHBondContact O-N 3.03Å; E399-L401 VanDerWaalsContact C-N 3.28Å; E399-L401 PolarHBondContact O-N 3.3Å; E399-F502 HydrophobicContact CB-CE1 3.91Å; E399-N503 PolarHBondContact N-OD1 2.88Å
400K66.3Low73.7Confident185 Ų185105 Ų10580%0.80451%0.507SS*.  trans-74.479.7-178-69.4175.4-179.1168.20110.6H402 R408K400-H402 PolarHBondContact O-N 3.05Å; K400-R408 PolarHBondContact O-NH2 3.38Å
401L66.3Low74.2Confident30 Ų30103 Ų10316%0.15749%0.492CS..  trans-23.9120.1173.9178.770.3000112.1E399 M403 R408 L499 F502E399-L401 VanDerWaalsContact C-N 3.28Å; E399-L401 PolarHBondContact O-N 3.3Å; L401-M403 HydrophobicContact CD1-CE 4.49Å; L401-M403 HydrophobicContact CD2-CE 4Å; L401-M403 HydrophobicContact CD2-CG 4.04Å; L401-M403 HydrophobicContact CD2-SD 4.04Å; L401-M403 HydrophobicContact CG-CE 4Å; L401-M403 HydrophobicContact CG-CG 4.13Å; L401-M403 HydrophobicContact CG-SD 4.47Å; L401-M403 PolarHBondContact O-N 2.84Å; L401-R408 PolarHBondContact O-NH2 3.35Å; L401-L499 HydrophobicContact CB-CD1 3.61Å; L401-L499 HydrophobicContact CD2-CB 4.28Å; L401-L499 HydrophobicContact CD2-CD1 4.28Å; L401-F502 HydrophobicContact CD1-CB 3.99Å; L401-F502 HydrophobicContact CD1-CD1 4.27Å; L401-F502 HydrophobicContact CD1-CD2 3.88Å; L401-F502 HydrophobicContact CD1-CE2 4.46Å; L401-F502 HydrophobicContact CD1-CG 3.77Å
402H65.9Low74.9Confident161 Ų161104.7 Ų104.775%0.74550%0.5SS*.  trans-76.260.4-167.6-168-99000113.5K400K400-H402 PolarHBondContact O-N 3.05Å
403M73.5Confident75.8Confident49 Ų49104.9 Ų104.924%0.24151%0.506CS..  trans-69142.2166.4-57.4-75.185.700110.2L401 R408L401-M403 HydrophobicContact CD1-CE 4.49Å; L401-M403 HydrophobicContact CD2-CE 4Å; L401-M403 HydrophobicContact CD2-CG 4.04Å; L401-M403 HydrophobicContact CD2-SD 4.04Å; L401-M403 HydrophobicContact CG-CE 4Å; L401-M403 HydrophobicContact CG-CG 4.13Å; L401-M403 HydrophobicContact CG-SD 4.47Å; L401-M403 PolarHBondContact O-N 2.84Å; M403-R408 HydrophobicContact CB-CG 3.86Å; M403-R408 PolarHBondContact O-NE 2.84Å; M403-R408 VanDerWaalsContact O-NE 3.17Å
404T81.7Confident76.5Confident65 Ų65104.5 Ų104.540%0.39951%0.508SS..  trans-64.9156.9-17665.60000112.1S406 E407 R408T404-S406 PolarHBondContact O-N 3.17Å; T404-S406 VanDerWaalsContact O-N 3.17Å; T404-S406 PolarHBondContact OG1-OG 3.28Å; T404-S406 VanDerWaalsContact OG1-OG 3.09Å; T404-E407 VanDerWaalsContact CB-OE2 3.28Å; T404-E407 WeakPolarHBondContact CB-OE2 3.36Å; T404-E407 WeakPolarHBondContact CG2-OE2 3.33Å; T404-E407 PolarHBondContact N-OE2 2.75Å; T404-E407 PolarHBondContact O-N 3.05Å; T404-E407 VanDerWaalsContact OG1-CG 3.23Å; T404-E407 WeakPolarHBondContact OG1-CG 3.17Å; T404-E407 PolarHBondContact OG1-N 3.35Å; T404-E407 PolarHBondContact OG1-OE2 3.31Å; T404-R408 WeakPolarHBondContact O-CG 3.31Å; T404-R408 PolarHBondContact O-N 3.25Å
405K82.6Confident77.4Confident189 Ų189103.7 Ų103.782%0.82250%0.502SS*.Hα-helixtrans-60-27.2179.8-65.3178.5-178.4174.60112.7R409K405-R409 WeakPolarHBondContact O-CB 3.49Å; K405-R409 PolarHBondContact O-N 2.92Å
406S83.2Confident78.8Confident72 Ų72101.1 Ų101.150%0.50349%0.489SS..Hα-helixtrans-78-44.4175.744.50000112.3T404 R409 K410T404-S406 PolarHBondContact O-N 3.17Å; T404-S406 VanDerWaalsContact O-N 3.17Å; T404-S406 PolarHBondContact OG1-OG 3.28Å; T404-S406 VanDerWaalsContact OG1-OG 3.09Å; S406-R409 PolarHBondContact O-N 2.98Å; S406-K410 WeakPolarHBondContact O-CG 3.35Å; S406-K410 PolarHBondContact O-N 3Å
407E83.1Confident80.1Confident82 Ų82101.8 Ų101.838%0.38348%0.478SS..Hα-helixtrans-61.7-50.3174.4-70162.7134.100111.4T404 R409 K410 I411T404-E407 VanDerWaalsContact CB-OE2 3.28Å; T404-E407 WeakPolarHBondContact CB-OE2 3.36Å; T404-E407 WeakPolarHBondContact CG2-OE2 3.33Å; T404-E407 PolarHBondContact N-OE2 2.75Å; T404-E407 PolarHBondContact O-N 3.05Å; T404-E407 VanDerWaalsContact OG1-CG 3.23Å; T404-E407 WeakPolarHBondContact OG1-CG 3.17Å; T404-E407 PolarHBondContact OG1-N 3.35Å; T404-E407 PolarHBondContact OG1-OE2 3.31Å; E407-R409 PolarHBondContact O-N 3.26Å; E407-K410 PolarHBondContact O-N 2.86Å; E407-I411 HydrophobicContact CB-CD1 4.48Å; E407-I411 WeakPolarHBondContact O-CD1 3.18Å; E407-I411 VanDerWaalsContact O-CG1 3.24Å; E407-I411 WeakPolarHBondContact O-CG1 3.4Å; E407-I411 PolarHBondContact O-N 3.06Å
408R83.3Confident81.3Confident108 Ų10895.1 Ų95.141%0.40845%0.449SS..Hα-helixtrans-54.1-38.6176.7-71.2-178.1175-179.60.9112K400 L401 M403 T404 F412K400-R408 PolarHBondContact O-NH2 3.38Å; L401-R408 PolarHBondContact O-NH2 3.35Å; M403-R408 HydrophobicContact CB-CG 3.86Å; M403-R408 PolarHBondContact O-NE 2.84Å; M403-R408 VanDerWaalsContact O-NE 3.17Å; T404-R408 WeakPolarHBondContact O-CG 3.31Å; T404-R408 PolarHBondContact O-N 3.25Å; R408-F412 WeakPolarHBondContact O-CB 3.34Å; R408-F412 PolarHBondContact O-N 3.05Å
409R88.2Confident82.1Confident179 Ų17997.4 Ų97.468%0.67547%0.465SS*.Hα-helixtrans-68.4-46.5175.2-171.1-178.7-62.9-177.5-1.4112.5K405 S406 E407 I411 F412 C413K405-R409 WeakPolarHBondContact O-CB 3.49Å; K405-R409 PolarHBondContact O-N 2.92Å; S406-R409 PolarHBondContact O-N 2.98Å; E407-R409 PolarHBondContact O-N 3.26Å; R409-I411 VanDerWaalsContact C-N 3.32Å; R409-I411 PolarHBondContact O-N 3.46Å; R409-F412 PolarHBondContact O-N 3.21Å; R409-C413 WeakPolarHBondContact O-CB 3.22Å; R409-C413 PolarHBondContact O-N 2.91Å; R409-C413 PolarHBondContact O-SG 3.41Å; R409-C413 VanDerWaalsContact O-SG 3.32Å
410K86.4Confident83.2Confident157 Ų15797.4 Ų97.468%0.68347%0.467SS*.Hα-helixtrans-56.7-46.9176.2-71.4173.4179-176.50111.3S406 E407 S414S406-K410 WeakPolarHBondContact O-CG 3.35Å; S406-K410 PolarHBondContact O-N 3Å; E407-K410 PolarHBondContact O-N 2.86Å; K410-S414 WeakPolarHBondContact O-CB 3.38Å; K410-S414 PolarHBondContact O-N 3.43Å
411I87.3Confident84.3Confident50 Ų5090.5 Ų90.526%0.25645%0.445SS..Hα-helixtrans-59.4-52.6177.4-63.5156.9000110E407 R409 S414 V415 Y492 L495E407-I411 HydrophobicContact CB-CD1 4.48Å; E407-I411 WeakPolarHBondContact O-CD1 3.18Å; E407-I411 VanDerWaalsContact O-CG1 3.24Å; E407-I411 WeakPolarHBondContact O-CG1 3.4Å; E407-I411 PolarHBondContact O-N 3.06Å; R409-I411 VanDerWaalsContact C-N 3.32Å; R409-I411 PolarHBondContact O-N 3.46Å; I411-S414 PolarHBondContact O-N 2.76Å; I411-V415 HydrophobicContact CG2-CG2 4.49Å; I411-V415 WeakPolarHBondContact O-CG2 3.47Å; I411-V415 PolarHBondContact O-N 3.06Å; I411-Y492 HydrophobicContact CG2-CE1 4.18Å; I411-L495 HydrophobicContact CD1-CD2 3.36Å; I411-L495 HydrophobicContact CG1-CD2 3.94Å
412F85.1Confident85.3Confident138 Ų13892.4 Ų92.461%0.60545%0.454SS*.Hα-helixtrans-62.1-47.1-178.2-177.4-94.4000112.9R408 R409 S414 V415 L416R408-F412 WeakPolarHBondContact O-CB 3.34Å; R408-F412 PolarHBondContact O-N 3.05Å; R409-F412 PolarHBondContact O-N 3.21Å; F412-S414 VanDerWaalsContact C-N 3.3Å; F412-S414 PolarHBondContact O-N 3.43Å; F412-V415 PolarHBondContact O-N 3.21Å; F412-L416 HydrophobicContact CE1-CD2 4.24Å; F412-L416 WeakPolarHBondContact O-CB 3.4Å; F412-L416 PolarHBondContact O-N 2.61Å
413C88.9Confident86.6Confident72 Ų7289.2 Ų89.249%0.48645%0.446SS..Hα-helixtrans-61.8-38.7176.8-67.90000111.9R409 F417R409-C413 WeakPolarHBondContact O-CB 3.22Å; R409-C413 PolarHBondContact O-N 2.91Å; R409-C413 PolarHBondContact O-SG 3.41Å; R409-C413 VanDerWaalsContact O-SG 3.32Å; C413-F417 WeakPolarHBondContact O-CB 3.36Å; C413-F417 PolarHBondContact O-N 3.09Å
414S87.8Confident87.4Confident30 Ų3090.2 Ų90.221%0.2146%0.457CS..Hα-helixtrans-66.5-46.4174.9-170.30000111.8K410 I411 F412 L416 F417 H418 Y492K410-S414 WeakPolarHBondContact O-CB 3.38Å; K410-S414 PolarHBondContact O-N 3.43Å; I411-S414 PolarHBondContact O-N 2.76Å; F412-S414 VanDerWaalsContact C-N 3.3Å; F412-S414 PolarHBondContact O-N 3.43Å; S414-L416 VanDerWaalsContact C-N 3.35Å; S414-L416 PolarHBondContact O-N 3Å; S414-F417 PolarHBondContact O-N 3.19Å; S414-H418 PolarHBondContact O-N 3.45Å; S414-H418 PolarHBondContact O-ND1 2.85Å; S414-H418 PolarHBondContact OG-CE1 3.24Å; S414-Y492 WeakPolarHBondContact CB-OH 3.48Å; S414-Y492 PolarHBondContact OG-OH 2.96Å; S414-Y492 VanDerWaalsContact OG-OH 3.05Å
415V87.6Confident87.7Confident57 Ų5789.5 Ų89.535%0.34545%0.449SS..Hα-helixtrans-60.3-45.1177.2171.90000111I411 F412 F417 H418 L419 Y492I411-V415 HydrophobicContact CG2-CG2 4.49Å; I411-V415 WeakPolarHBondContact O-CG2 3.47Å; I411-V415 PolarHBondContact O-N 3.06Å; F412-V415 PolarHBondContact O-N 3.21Å; V415-F417 PolarHBondContact O-N 3.3Å; V415-H418 PolarHBondContact O-N 2.86Å; V415-L419 HydrophobicContact CG1-CD1 4.12Å; V415-L419 HydrophobicContact CG1-CG 4.4Å; V415-L419 WeakPolarHBondContact O-CG 3.33Å; V415-L419 PolarHBondContact O-N 3.48Å; V415-Y492 HydrophobicContact CG2-CD1 4.43Å; V415-Y492 HydrophobicContact CG2-CE1 3.56Å; V415-Y492 HydrophobicContact CG2-CE2 4.47Å; V415-Y492 WeakPolarHBondContact CG2-OH 3.49Å; V415-Y492 PolarHBondContact N-OH 2.85Å
416L90.3Very high88Confident83 Ų8386 Ų8644%0.43544%0.439SS..Hα-helixtrans-61.3-42.6177.9-179.360.2000112F412 S414 L419 I420F412-L416 HydrophobicContact CE1-CD2 4.24Å; F412-L416 WeakPolarHBondContact O-CB 3.4Å; F412-L416 PolarHBondContact O-N 2.61Å; S414-L416 VanDerWaalsContact C-N 3.35Å; S414-L416 PolarHBondContact O-N 3Å; L416-L419 PolarHBondContact O-N 2.92Å; L416-I420 HydrophobicContact CD1-CD1 4.19Å; L416-I420 HydrophobicContact CD1-CG1 4.49Å; L416-I420 HydrophobicContact CG-CD1 4.07Å; L416-I420 WeakPolarHBondContact O-CG1 3.32Å; L416-I420 PolarHBondContact O-N 3.23Å
417F90.3Very high88.4Confident125 Ų12590.3 Ų90.355%0.54844%0.444SS..Hα-helixtrans-60.1-44.4174.6175.5-98.2000112.1C413 S414 V415 I420 A421 F484C413-F417 WeakPolarHBondContact O-CB 3.36Å; C413-F417 PolarHBondContact O-N 3.09Å; S414-F417 PolarHBondContact O-N 3.19Å; V415-F417 PolarHBondContact O-N 3.3Å; F417-I420 PolarHBondContact O-N 3.42Å; F417-A421 WeakPolarHBondContact O-CB 3.35Å; F417-A421 PolarHBondContact O-N 3.02Å; F417-F484 HydrophobicContact CE1-CE1 4.28Å
418H88.6Confident88.6Confident17 Ų1788.6 Ų88.68%0.07944%0.441CS..Hα-helixtrans-64.7-41.2176.3-73.284.3000112.5S414 V415 I420 A421 I422 F484S414-H418 PolarHBondContact O-N 3.45Å; S414-H418 PolarHBondContact O-ND1 2.85Å; S414-H418 PolarHBondContact OG-CE1 3.24Å; V415-H418 PolarHBondContact O-N 2.86Å; H418-I420 VanDerWaalsContact C-N 3.34Å; H418-I420 PolarHBondContact O-N 2.89Å; H418-A421 PolarHBondContact O-N 3.47Å; H418-I422 WeakPolarHBondContact O-CB 3.32Å; H418-I422 WeakPolarHBondContact O-CD1 3.4Å; H418-I422 WeakPolarHBondContact O-CG1 3.35Å; H418-I422 PolarHBondContact O-N 3.49Å; H418-F484 AromaticContact CE1-CE1 3.66Å; H418-F484 AromaticContact NE2-CD1 3.44Å; H418-F484 WeakPolarHBondContact NE2-CD1 3.41Å; H418-F484 AromaticContact NE2-CE1 3.32Å; H418-F484 VanDerWaalsContact NE2-CE1 3.32Å; H418-F484 WeakPolarHBondContact NE2-CE1 3.44Å
419L89.2Confident88.8Confident102 Ų10286.3 Ų86.353%0.53444%0.44SS..Hα-helixtrans-61.4-42.7175.9-71174.5000111.7V415 L416 I422 V423V415-L419 HydrophobicContact CG1-CD1 4.12Å; V415-L419 HydrophobicContact CG1-CG 4.4Å; V415-L419 WeakPolarHBondContact O-CG 3.33Å; V415-L419 PolarHBondContact O-N 3.48Å; L416-L419 PolarHBondContact O-N 2.92Å; L419-I422 PolarHBondContact O-N 3.47Å; L419-V423 WeakPolarHBondContact O-CG2 3.27Å; L419-V423 PolarHBondContact O-N 3.37Å
420I92.8Very high88.9Confident94 Ų9484.6 Ų84.648%0.48243%0.434SS..Hα-helixtrans-62.9-46.9174.9-66.7164.6000110.3L416 F417 H418 I422 V423 C424L416-I420 HydrophobicContact CD1-CD1 4.19Å; L416-I420 HydrophobicContact CD1-CG1 4.49Å; L416-I420 HydrophobicContact CG-CD1 4.07Å; L416-I420 WeakPolarHBondContact O-CG1 3.32Å; L416-I420 PolarHBondContact O-N 3.23Å; F417-I420 PolarHBondContact O-N 3.42Å; H418-I420 VanDerWaalsContact C-N 3.34Å; H418-I420 PolarHBondContact O-N 2.89Å; I420-I422 PolarHBondContact O-N 2.87Å; I420-V423 PolarHBondContact O-N 3.02Å; I420-C424 PolarHBondContact O-N 3.48Å; I420-C424 PolarHBondContact O-SG 3.22Å; I420-C424 VanDerWaalsContact O-SG 3.34Å
421A87.9Confident89Confident41 Ų4180.4 Ų80.434%0.33942%0.419SS..Hα-helixtrans-59.8-43.2178.200000112.6F417 H418 C424 M425F417-A421 WeakPolarHBondContact O-CB 3.35Å; F417-A421 PolarHBondContact O-N 3.02Å; H418-A421 PolarHBondContact O-N 3.47Å; A421-C424 PolarHBondContact O-N 3.3Å; A421-M425 WeakPolarHBondContact O-CG 3.24Å; A421-M425 PolarHBondContact O-N 3.35Å
422I87.9Confident88.9Confident69 Ų6980.4 Ų80.435%0.35442%0.419SS..Hα-helixtrans-61.6-45.6175.5-68.3161.1000110.7H418 L419 I420 C424 M425 L426 M485H418-I422 WeakPolarHBondContact O-CB 3.32Å; H418-I422 WeakPolarHBondContact O-CD1 3.4Å; H418-I422 WeakPolarHBondContact O-CG1 3.35Å; H418-I422 PolarHBondContact O-N 3.49Å; L419-I422 PolarHBondContact O-N 3.47Å; I420-I422 PolarHBondContact O-N 2.87Å; I422-C424 PolarHBondContact O-N 3.42Å; I422-M425 PolarHBondContact O-N 3.47Å; I422-L426 HydrophobicContact CG2-CD1 3.84Å; I422-L426 HydrophobicContact CG2-CG 4.34Å; I422-L426 WeakPolarHBondContact O-CB 3.23Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.34Å; I422-L426 PolarHBondContact O-N 3.46Å; I422-M485 HydrophobicContact CD1-SD 3.85Å; I422-M485 HydrophobicContact CG1-SD 4.36Å
423V93.1Very high89Confident95 Ų9577.9 Ų77.958%0.57641%0.414SS*.Hα-helixtrans-62.4-42.41771700000111.4L419 I420 L426 W427L419-V423 WeakPolarHBondContact O-CG2 3.27Å; L419-V423 PolarHBondContact O-N 3.37Å; I420-V423 PolarHBondContact O-N 3.02Å; V423-L426 PolarHBondContact O-N 3.26Å; V423-W427 VanDerWaalsContact O-CB 3.28Å; V423-W427 WeakPolarHBondContact O-CB 3.33Å; V423-W427 PolarHBondContact O-N 3.42Å
424C90.4Very high88.9Confident69 Ų6979.4 Ų79.447%0.46641%0.413SS..Hα-helixtrans-64-40175.6-700000112.6I420 A421 I422 S428I420-C424 PolarHBondContact O-N 3.48Å; I420-C424 PolarHBondContact O-SG 3.22Å; I420-C424 VanDerWaalsContact O-SG 3.34Å; A421-C424 PolarHBondContact O-N 3.3Å; I422-C424 PolarHBondContact O-N 3.42Å; C424-S428 WeakPolarHBondContact O-CB 3.28Å; C424-S428 PolarHBondContact O-N 3.28Å; C424-S428 PolarHBondContact O-OG 2.88Å
425M87Confident88.7Confident50 Ų5085.4 Ų85.425%0.24643%0.431CS..Hα-helixtrans-65.8-47.9175.3-73.9-55.4-52.600111.8A421 I422 W427 S428 V429 F478A421-M425 WeakPolarHBondContact O-CG 3.24Å; A421-M425 PolarHBondContact O-N 3.35Å; I422-M425 PolarHBondContact O-N 3.47Å; M425-W427 VanDerWaalsContact C-N 3.31Å; M425-W427 PolarHBondContact O-N 2.94Å; M425-S428 PolarHBondContact O-N 3.24Å; M425-V429 WeakPolarHBondContact O-CG2 3.22Å; M425-V429 PolarHBondContact O-N 3Å; M425-F478 HydrophobicContact CE-CB 3.75Å; M425-F478 HydrophobicContact CE-CD2 4.2Å; M425-F478 HydrophobicContact CE-CG 4.49Å
426L89.1Confident88.4Confident115 Ų11584.7 Ų84.760%0.60243%0.427SS*.Hα-helixtrans-61.1-39.5176.6-70.8172.7000112I422 V423 Y430I422-L426 HydrophobicContact CG2-CD1 3.84Å; I422-L426 HydrophobicContact CG2-CG 4.34Å; I422-L426 WeakPolarHBondContact O-CB 3.23Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.34Å; I422-L426 PolarHBondContact O-N 3.46Å; V423-L426 PolarHBondContact O-N 3.26Å; L426-Y430 VanDerWaalsContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CB 3.38Å; L426-Y430 PolarHBondContact O-N 3.28Å
427W92.8Very high88.1Confident163 Ų16383.6 Ų83.662%0.61742%0.423SS*.Hα-helixtrans-66.8-41.5175.7-172.583.3000112V423 M425 Y430 I431V423-W427 VanDerWaalsContact O-CB 3.28Å; V423-W427 WeakPolarHBondContact O-CB 3.33Å; V423-W427 PolarHBondContact O-N 3.42Å; M425-W427 VanDerWaalsContact C-N 3.31Å; M425-W427 PolarHBondContact O-N 2.94Å; W427-Y430 PolarHBondContact O-N 3.31Å; W427-I431 HydrophobicContact CD2-CG1 4.03Å; W427-I431 HydrophobicContact CE3-CG1 4.16Å; W427-I431 HydrophobicContact CH2-CD1 4.46Å; W427-I431 HydrophobicContact CH2-CG1 4.1Å; W427-I431 HydrophobicContact CZ2-CD1 4.01Å; W427-I431 HydrophobicContact CZ2-CG1 3.95Å; W427-I431 HydrophobicContact CZ3-CG1 4.2Å; W427-I431 WeakPolarHBondContact O-CG1 3.49Å; W427-I431 PolarHBondContact O-N 2.99Å
428S87.6Confident87.7Confident46 Ų4680.5 Ų80.532%0.32241%0.412SS..Hα-helixtrans-62.4-46.1176-57.60000111.5C424 M425 I431 L432C424-S428 WeakPolarHBondContact O-CB 3.28Å; C424-S428 PolarHBondContact O-N 3.28Å; C424-S428 PolarHBondContact O-OG 2.88Å; M425-S428 PolarHBondContact O-N 3.24Å; S428-I431 PolarHBondContact O-N 2.9Å; S428-L432 VanDerWaalsContact O-CD1 3.3Å; S428-L432 WeakPolarHBondContact O-CD1 3.39Å; S428-L432 VanDerWaalsContact O-CG 3.28Å; S428-L432 WeakPolarHBondContact O-CG 3.35Å; S428-L432 PolarHBondContact O-N 3.3Å
429V86.4Confident87.1Confident61 Ų6183.8 Ų83.837%0.3743%0.428SS..Hα-helixtrans-61.5-42.9174.1172.60000111.2M425 I431 L432 V433 V474M425-V429 WeakPolarHBondContact O-CG2 3.22Å; M425-V429 PolarHBondContact O-N 3Å; V429-I431 PolarHBondContact O-N 2.89Å; V429-L432 PolarHBondContact O-N 3.41Å; V429-V433 HydrophobicContact CG1-CG2 4.21Å; V429-V433 WeakPolarHBondContact O-CB 3.31Å; V429-V433 WeakPolarHBondContact O-CG2 3.44Å; V429-V433 PolarHBondContact O-N 2.95Å; V429-V474 HydrophobicContact CG2-CG1 4.29Å
430Y91.4Very high86.4Confident142 Ų14284 Ų8456%0.55743%0.429SS*.Hα-helixtrans-60.6-43.6175.5168.7-102.9000112.7L426 W427 L432 V433 K434L426-Y430 VanDerWaalsContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CB 3.38Å; L426-Y430 PolarHBondContact O-N 3.28Å; W427-Y430 PolarHBondContact O-N 3.31Å; Y430-L432 VanDerWaalsContact C-N 3.31Å; Y430-L432 PolarHBondContact O-N 3Å; Y430-V433 PolarHBondContact O-N 3.17Å; Y430-K434 VanDerWaalsContact O-CB 3.26Å; Y430-K434 WeakPolarHBondContact O-CB 3.42Å; Y430-K434 PolarHBondContact O-N 3.09Å
431I88.6Confident85.6Confident70 Ų7087.2 Ų87.236%0.35944%0.435SS..Hα-helixtrans-63.1-38.7176.6-69.2-65.5000111.2W427 S428 V429 R435W427-I431 HydrophobicContact CD2-CG1 4.03Å; W427-I431 HydrophobicContact CE3-CG1 4.16Å; W427-I431 HydrophobicContact CH2-CD1 4.46Å; W427-I431 HydrophobicContact CH2-CG1 4.1Å; W427-I431 HydrophobicContact CZ2-CD1 4.01Å; W427-I431 HydrophobicContact CZ2-CG1 3.95Å; W427-I431 HydrophobicContact CZ3-CG1 4.2Å; W427-I431 WeakPolarHBondContact O-CG1 3.49Å; W427-I431 PolarHBondContact O-N 2.99Å; S428-I431 PolarHBondContact O-N 2.9Å; V429-I431 PolarHBondContact O-N 2.89Å; I431-R435 WeakPolarHBondContact O-CB 3.47Å; I431-R435 PolarHBondContact O-N 3.21Å
432L84.4Confident84.6Confident49 Ų4990.6 Ų90.626%0.25745%0.446SS..Hα-helixtrans-69.5-47.1177-67.7156.8000112.3S428 V429 Y430 K434 R435 T436 V474S428-L432 VanDerWaalsContact O-CD1 3.3Å; S428-L432 WeakPolarHBondContact O-CD1 3.39Å; S428-L432 VanDerWaalsContact O-CG 3.28Å; S428-L432 WeakPolarHBondContact O-CG 3.35Å; S428-L432 PolarHBondContact O-N 3.3Å; V429-L432 PolarHBondContact O-N 3.41Å; Y430-L432 VanDerWaalsContact C-N 3.31Å; Y430-L432 PolarHBondContact O-N 3Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 3.32Å; L432-R435 PolarHBondContact O-N 3.37Å; L432-T436 WeakPolarHBondContact O-CB 3.33Å; L432-T436 PolarHBondContact O-N 3.33Å; L432-T436 PolarHBondContact O-OG1 3.34Å; L432-V474 HydrophobicContact CD1-CB 4Å; L432-V474 HydrophobicContact CD1-CG1 3.7Å; L432-V474 HydrophobicContact CD1-CG2 3.42Å; L432-V474 VanDerWaalsContact CD1-CG2 3.42Å
433V86.9Confident83.4Confident85 Ų8587.8 Ų87.852%0.51544%0.435SS..Hα-helixtrans-60.9-42.4175.8170.40000110.5V429 Y430 T437V429-V433 HydrophobicContact CG1-CG2 4.21Å; V429-V433 WeakPolarHBondContact O-CB 3.31Å; V429-V433 WeakPolarHBondContact O-CG2 3.44Å; V429-V433 PolarHBondContact O-N 2.95Å; Y430-V433 PolarHBondContact O-N 3.17Å; V433-T437 VanDerWaalsContact O-CB 3.32Å; V433-T437 WeakPolarHBondContact O-CB 3.32Å; V433-T437 PolarHBondContact O-N 2.91Å; V433-T437 PolarHBondContact O-OG1 2.83Å
434K86.6Confident82Confident105 Ų10591 Ų9146%0.45744%0.441SS..Hα-helixtrans-59.4-52.5173.5-178.8179.4175.7-173.10110.7Y430 L432 T436 T437 D438Y430-K434 VanDerWaalsContact O-CB 3.26Å; Y430-K434 WeakPolarHBondContact O-CB 3.42Å; Y430-K434 PolarHBondContact O-N 3.09Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 3.32Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.11Å; K434-T437 CarbonylContact O-C 3.43Å; K434-T437 WeakPolarHBondContact O-CB 3.36Å; K434-T437 PolarHBondContact O-N 3.39Å; K434-T437 VanDerWaalsContact O-N 3.09Å; K434-D438 VanDerWaalsContact CE-OD2 3.22Å; K434-D438 WeakPolarHBondContact CE-OD2 3.29Å; K434-D438 WeakPolarHBondContact CG-OD2 3.21Å; K434-D438 PolarHBondContact O-N 3.45Å
435R83.7Confident80.5Confident155 Ų15593.8 Ų93.859%0.58545%0.451SS*.Hα-helixtrans-60.5-43.6-178.2-158.4-167-172.2103.56.7112.1I431 L432 T437 D438 E439I431-R435 WeakPolarHBondContact O-CB 3.47Å; I431-R435 PolarHBondContact O-N 3.21Å; L432-R435 PolarHBondContact O-N 3.37Å; R435-T437 VanDerWaalsContact C-N 3.32Å; R435-T437 PolarHBondContact O-N 3.24Å; R435-D438 PolarHBondContact O-N 3.09Å; R435-E439 VanDerWaalsContact CD-OE1 3.25Å; R435-E439 WeakPolarHBondContact CD-OE1 3.26Å; R435-E439 VanDerWaalsContact CG-OE1 3.31Å; R435-E439 WeakPolarHBondContact CG-OE1 3.32Å; R435-E439 IonicContact NE-OE1 3.64Å; R435-E439 PolarHBondContact NE-OE1 2.7Å; R435-E439 VanDerWaalsContact O-CB 3.31Å; R435-E439 WeakPolarHBondContact O-CB 3.33Å; R435-E439 VanDerWaalsContact O-CG 3.29Å; R435-E439 WeakPolarHBondContact O-CG 3.42Å; R435-E439 PolarHBondContact O-N 2.89Å
436T80.8Confident79.2Confident43 Ų4393.9 Ų93.926%0.26445%0.453SS..Hα-helixtrans-61.8-40.1174.8-49.90000111.2L432 K434 E439 I440 F467L432-T436 WeakPolarHBondContact O-CB 3.33Å; L432-T436 PolarHBondContact O-N 3.33Å; L432-T436 PolarHBondContact O-OG1 3.34Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.11Å; T436-E439 PolarHBondContact O-N 3.2Å; T436-I440 HydrophobicContact CG2-CD1 3.95Å; T436-I440 WeakPolarHBondContact O-CB 3.31Å; T436-I440 WeakPolarHBondContact O-CG1 3.28Å; T436-I440 PolarHBondContact O-N 2.93Å; T436-F467 HydrophobicContact CG2-CE2 4.14Å; T436-F467 HydrophobicContact CG2-CZ 4.15Å
437T83.9Confident77.6Confident59 Ų5993.4 Ų93.436%0.36245%0.448SS..Hα-helixtrans-66.9-40.3176-56.90000111.8V433 K434 R435 R441V433-T437 VanDerWaalsContact O-CB 3.32Å; V433-T437 WeakPolarHBondContact O-CB 3.32Å; V433-T437 PolarHBondContact O-N 2.91Å; V433-T437 PolarHBondContact O-OG1 2.83Å; K434-T437 CarbonylContact O-C 3.43Å; K434-T437 WeakPolarHBondContact O-CB 3.36Å; K434-T437 PolarHBondContact O-N 3.39Å; K434-T437 VanDerWaalsContact O-N 3.09Å; R435-T437 VanDerWaalsContact C-N 3.32Å; R435-T437 PolarHBondContact O-N 3.24Å; T437-R441 WeakPolarHBondContact O-CB 3.32Å; T437-R441 VanDerWaalsContact O-CG 3.29Å; T437-R441 WeakPolarHBondContact O-CG 3.41Å; T437-R441 PolarHBondContact O-N 3.45Å
438D81.7Confident76Confident60 Ų6092.7 Ų92.732%0.32146%0.455SS..Hα-helixtrans-69.3-38.8176.8-67.4-24000110.8K434 R435 R441 L442K434-D438 VanDerWaalsContact CE-OD2 3.22Å; K434-D438 WeakPolarHBondContact CE-OD2 3.29Å; K434-D438 WeakPolarHBondContact CG-OD2 3.21Å; K434-D438 PolarHBondContact O-N 3.45Å; R435-D438 PolarHBondContact O-N 3.09Å; D438-R441 PolarHBondContact O-N 3.28Å; D438-L442 VanDerWaalsContact O-CB 3.32Å; D438-L442 WeakPolarHBondContact O-CB 3.44Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 2.88Å
439E76.3Confident74.5Confident86 Ų8699 Ų9940%0.40247%0.472SS..Hα-helixtrans-68.4-35.8174.5-74.7165.5-173.900112.3R435 T436 G443R435-E439 VanDerWaalsContact CD-OE1 3.25Å; R435-E439 WeakPolarHBondContact CD-OE1 3.26Å; R435-E439 VanDerWaalsContact CG-OE1 3.31Å; R435-E439 WeakPolarHBondContact CG-OE1 3.32Å; R435-E439 IonicContact NE-OE1 3.64Å; R435-E439 PolarHBondContact NE-OE1 2.7Å; R435-E439 VanDerWaalsContact O-CB 3.31Å; R435-E439 WeakPolarHBondContact O-CB 3.33Å; R435-E439 VanDerWaalsContact O-CG 3.29Å; R435-E439 WeakPolarHBondContact O-CG 3.42Å; R435-E439 PolarHBondContact O-N 2.89Å; T436-E439 PolarHBondContact O-N 3.2Å; E439-G443 WeakPolarHBondContact O-CA 3.42Å; E439-G443 PolarHBondContact O-N 2.89Å
440I75.9Confident73.1Confident108 Ų108100.8 Ų100.855%0.55447%0.472SS*.Hα-helixtrans-70.7-36.9170.9-71.2166.2000111.5T436 G443 K444T436-I440 HydrophobicContact CG2-CD1 3.95Å; T436-I440 WeakPolarHBondContact O-CB 3.31Å; T436-I440 WeakPolarHBondContact O-CG1 3.28Å; T436-I440 PolarHBondContact O-N 2.93Å; I440-G443 CarbonylContact O-C 2.92Å; I440-G443 PolarHBondContact O-N 2.85Å; I440-K444 PolarHBondContact O-N 3.37Å
441R76.2Confident71.6Confident161 Ų16199.1 Ų99.161%0.60848%0.476SS*.Hα-helixtrans-69-47.8176.6-83.9175.4154.6159.3-4.7112.2T437 D438 G443 K444 N445T437-R441 WeakPolarHBondContact O-CB 3.32Å; T437-R441 VanDerWaalsContact O-CG 3.29Å; T437-R441 WeakPolarHBondContact O-CG 3.41Å; T437-R441 PolarHBondContact O-N 3.45Å; D438-R441 PolarHBondContact O-N 3.28Å; R441-G443 VanDerWaalsContact C-N 3.29Å; R441-K444 PolarHBondContact O-N 2.93Å; R441-N445 PolarHBondContact O-N 2.98Å
442L66.2Low70.2Confident111 Ų111100.7 Ų100.758%0.58149%0.494SS*.Hα-helixtrans-56-49.3168.3-79.4160.7000109.1D438 K444 N445 D446D438-L442 VanDerWaalsContact O-CB 3.32Å; D438-L442 WeakPolarHBondContact O-CB 3.44Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 2.88Å; L442-K444 PolarHBondContact O-N 2.71Å; L442-K444 VanDerWaalsContact O-N 3.11Å; L442-N445 PolarHBondContact O-N 3.37Å; L442-N445 VanDerWaalsContact O-N 3.09Å; L442-D446 WeakPolarHBondContact O-CA 3.31Å; L442-D446 WeakPolarHBondContact O-CB 3.46Å; L442-D446 PolarHBondContact O-N 2.91Å
443G62.7Low69Low11 Ų11103 Ų10311%0.11351%0.505CS..Hα-helixtrans-56.2-25.5176.600000115.4E439 I440 R441 E447E439-G443 WeakPolarHBondContact O-CA 3.42Å; E439-G443 PolarHBondContact O-N 2.89Å; I440-G443 CarbonylContact O-C 2.92Å; I440-G443 PolarHBondContact O-N 2.85Å; R441-G443 VanDerWaalsContact C-N 3.29Å; G443-E447 WeakPolarHBondContact O-CA 3.37Å; G443-E447 WeakPolarHBondContact O-CB 3.41Å; G443-E447 WeakPolarHBondContact O-CG 3.38Å; G443-E447 PolarHBondContact O-N 2.92Å
444K62.8Low67.4Low163 Ų163104.2 Ų104.271%0.70951%0.509SS*.Hα-helixtrans-81.4-39.2173.2-106.9179.7175.91770113.8I440 R441 L442 D446I440-K444 PolarHBondContact O-N 3.37Å; R441-K444 PolarHBondContact O-N 2.93Å; L442-K444 PolarHBondContact O-N 2.71Å; L442-K444 VanDerWaalsContact O-N 3.11Å; K444-D446 VanDerWaalsContact C-N 3.31Å
445N60.1Low65.9Low126 Ų126108.9 Ų108.967%0.67453%0.529SS*.Hα-helixtrans-72.7-32.3174.1-62-22.9000111.3R441 L442R441-N445 PolarHBondContact O-N 2.98Å; L442-N445 PolarHBondContact O-N 3.37Å; L442-N445 VanDerWaalsContact O-N 3.09Å
446D58.4Low64.2Low52 Ų52111.6 Ų111.628%0.27854%0.54SS..Hα-helixtrans-89.2-15.5-179.6-158.151.8000111.4L442 K444 R449 R450L442-D446 WeakPolarHBondContact O-CA 3.31Å; L442-D446 WeakPolarHBondContact O-CB 3.46Å; L442-D446 PolarHBondContact O-N 2.91Å; K444-D446 VanDerWaalsContact C-N 3.31Å; D446-R449 CarbonylContact O-C 3.54Å; D446-R449 WeakPolarHBondContact O-CA 3.38Å; D446-R449 WeakPolarHBondContact O-CB 3.44Å; D446-R449 PolarHBondContact O-N 3.46Å; D446-R449 VanDerWaalsContact O-N 3.08Å; D446-R449 WeakPolarHBondContact OD1-CD 3.16Å; D446-R450 VanDerWaalsContact O-CB 3.23Å; D446-R450 WeakPolarHBondContact O-CB 3.3Å; D446-R450 WeakPolarHBondContact O-CD 3.39Å; D446-R450 WeakPolarHBondContact O-CG 3.28Å; D446-R450 PolarHBondContact O-N 3.5Å; D446-R450 IonicContact OD2-CZ 3.17Å; D446-R450 IonicContact OD2-NE 2.75Å; D446-R450 PolarHBondContact OD2-NE 3.43Å; D446-R450 IonicContact OD2-NH2 2.76Å; D446-R450 PolarHBondContact OD2-NH2 2.87Å
447E56.7Low63Low106 Ų106118 Ų11850%0.49556%0.561SS.*Hα-helixtrans-56.2-51.7165-115.4-68.1124.900110.5G443 R449 R450 V451G443-E447 WeakPolarHBondContact O-CA 3.37Å; G443-E447 WeakPolarHBondContact O-CB 3.41Å; G443-E447 WeakPolarHBondContact O-CG 3.38Å; G443-E447 PolarHBondContact O-N 2.92Å; E447-R449 PolarHBondContact O-N 2.98Å; E447-R450 PolarHBondContact O-N 3.19Å; E447-V451 PolarHBondContact O-N 2.9Å
448L58.8Low61.4Low148 Ų148120.2 Ų120.278%0.77558%0.579SS**Hα-helixtrans-56.9-25.7174.2-172.167.4000112.7
449R55.5Low59.9Low177 Ų177121.3 Ų121.367%0.66860%0.597SS**Hα-helixtrans-90-30.9176.5-153.3178.6-163.7170.14.3112.6D446 E447 S452 L453D446-R449 CarbonylContact O-C 3.54Å; D446-R449 WeakPolarHBondContact O-CA 3.38Å; D446-R449 WeakPolarHBondContact O-CB 3.44Å; D446-R449 PolarHBondContact O-N 3.46Å; D446-R449 VanDerWaalsContact O-N 3.08Å; D446-R449 WeakPolarHBondContact OD1-CD 3.16Å; E447-R449 PolarHBondContact O-N 2.98Å; R449-S452 PolarHBondContact O-N 2.74Å; R449-L453 WeakPolarHBondContact O-CB 3.43Å; R449-L453 PolarHBondContact O-N 2.83Å
450R56.6Low58.9Low99 Ų99123.9 Ų123.937%0.37461%0.609SS.*Hα-helixtrans-77.3-34.7179.8-76.4162.8-159.7-179.34.2111.8D446 E447 S452 L453 L454D446-R450 VanDerWaalsContact O-CB 3.23Å; D446-R450 WeakPolarHBondContact O-CB 3.3Å; D446-R450 WeakPolarHBondContact O-CD 3.39Å; D446-R450 WeakPolarHBondContact O-CG 3.28Å; D446-R450 PolarHBondContact O-N 3.5Å; D446-R450 IonicContact OD2-CZ 3.17Å; D446-R450 IonicContact OD2-NE 2.75Å; D446-R450 PolarHBondContact OD2-NE 3.43Å; D446-R450 IonicContact OD2-NH2 2.76Å; D446-R450 PolarHBondContact OD2-NH2 2.87Å; E447-R450 PolarHBondContact O-N 3.19Å; R450-S452 PolarHBondContact O-N 2.91Å; R450-L453 PolarHBondContact O-N 3.27Å; R450-L454 WeakPolarHBondContact O-CB 3.36Å; R450-L454 PolarHBondContact O-N 3.23Å
451V60.7Low57.8Low108 Ų108121.7 Ų121.766%0.65561%0.613SS**THydrogen-bonded Turntrans-54.6-31.6170.8175.90000110.8E447E447-V451 PolarHBondContact O-N 2.9Å
452S59.6Low56.9Low103 Ų103118.4 Ų118.472%0.7261%0.61SS**THydrogen-bonded Turntrans-86-11.2174-55.90000115.9R449 R450R449-S452 PolarHBondContact O-N 2.74Å; R450-S452 PolarHBondContact O-N 2.91Å
453L58.6Low56.2Low96 Ų96120.1 Ų120.150%0.50362%0.62SS.*THydrogen-bonded Turntrans-124.7-25.4-169.9-161.4149.9000113.8R449 R450 K455 Y456R449-L453 WeakPolarHBondContact O-CB 3.43Å; R449-L453 PolarHBondContact O-N 2.83Å; R450-L453 PolarHBondContact O-N 3.27Å; L453-K455 PolarHBondContact O-N 3.32Å; L453-Y456 WeakPolarHBondContact O-CB 3.44Å; L453-Y456 PolarHBondContact O-N 2.74Å
454L53.7Low56Low112 Ų112125.9 Ų125.959%0.58664%0.643SS**G310 helixtrans-57.9-28.6174.8-170.873.9000111.8R450 Y456 Y457R450-L454 WeakPolarHBondContact O-CB 3.36Å; R450-L454 PolarHBondContact O-N 3.23Å; L454-Y456 PolarHBondContact O-N 3.45Å; L454-Y457 PolarHBondContact O-N 3.05Å
455K54.2Low55.6Low202 Ų202127.7 Ų127.788%0.87865%0.646SS**G310 helixtrans-58.8-11.5170.8-161.7176.6178.2-179.30113.7L453L453-K455 PolarHBondContact O-N 3.32Å
456Y50Low56.2Low212 Ų212124.4 Ų124.483%0.83163%0.631SS**G310 helixtrans-124.9-5.9-173.9-149.5-93.8000115.1L453 L454L453-Y456 WeakPolarHBondContact O-CB 3.44Å; L453-Y456 PolarHBondContact O-N 2.74Å; L454-Y456 PolarHBondContact O-N 3.45Å
457Y53.8Low56.9Low177 Ų177125 Ų12569%0.69463%0.632SS**THydrogen-bonded Turntrans-138.716.7-167.4-145.9-101.8000116.3L454 A459L454-Y457 PolarHBondContact O-N 3.05Å; Y457-A459 PolarHBondContact O-N 2.9Å
458S51Low57.7Low106 Ų106126.8 Ų126.874%0.74163%0.634SS**THydrogen-bonded Turntrans-75.723-172.3-166.10000116.1
459A50.4Low58.8Low84 Ų84122.6 Ų122.669%0.69461%0.614SS**THydrogen-bonded Turntrans-104.2-26.8-16600000116.4Y457Y457-A459 PolarHBondContact O-N 2.9Å
460Q54.4Low59.9Low139 Ų139119.6 Ų119.665%0.6561%0.606SS**  trans-126.399.7-172.8-116.977.520.400112.9V462Q460-V462 HydrophobicContact CB-CG2 3.99Å; Q460-V462 HydrophobicContact CG-CG2 3.72Å; Q460-V462 PolarHBondContact O-N 2.95Å
461G53.8Low61.1Low62 Ų62118.9 Ų118.964%0.63961%0.609SS**  trans-72.240.9176.500000115.3
462V56.5Low62.3Low92 Ų92118.1 Ų118.156%0.55860%0.601SS**THydrogen-bonded Turntrans-84.3-19.3-168.1179.10000113.2Q460 P466Q460-V462 HydrophobicContact CB-CG2 3.99Å; Q460-V462 HydrophobicContact CG-CG2 3.72Å; Q460-V462 PolarHBondContact O-N 2.95Å; V462-P466 WeakPolarHBondContact O-CD 3.05Å
463L52.2Low63.5Low148 Ų148118 Ų11878%0.77560%0.595SS**THydrogen-bonded Turntrans-81.8-19.1-174.7-86.576.4000115.1P466L463-P466 WeakPolarHBondContact O-CD 3.45Å; L463-P466 WeakPolarHBondContact O-CG 3.19Å
464E57.6Low64.8Low132 Ų132115.1 Ų115.162%0.61758%0.582SS**THydrogen-bonded Turntrans-78.1-41-178.2-62-167.4113.700112.6F467 W468E464-F467 WeakPolarHBondContact O-CA 3.4Å; E464-F467 WeakPolarHBondContact O-CB 3.48Å; E464-F467 PolarHBondContact O-N 3.34Å; E464-W468 VanDerWaalsContact O-CD1 3.29Å; E464-W468 PolarHBondContact O-N 3.34Å
465W55.9Low66.3Low200 Ų200112 Ų11276%0.75857%0.573SS**Hα-helixtrans-49.9-50.3175.2-93.187.7000114.3F467 T469W465-F467 PolarHBondContact O-N 2.88Å; W465-T469 HydrophobicContact CE3-CG2 4.14Å; W465-T469 WeakPolarHBondContact O-CB 3.41Å; W465-T469 WeakPolarHBondContact O-CG2 3.32Å; W465-T469 PolarHBondContact O-N 2.67Å; W465-T469 VanDerWaalsContact O-N 3.09Å; W465-T469 PolarHBondContact O-OG1 2.74Å
466P72.3Confident68.1Low57 Ų57107.8 Ų107.837%0.3756%0.558SS.*Hα-helixtrans-71.8-5.4176.828.4-35.3000114.3V462 L463 T469 K470V462-P466 WeakPolarHBondContact O-CD 3.05Å; L463-P466 WeakPolarHBondContact O-CD 3.45Å; L463-P466 WeakPolarHBondContact O-CG 3.19Å; P466-T469 WeakPolarHBondContact CA-OG1 3.29Å; P466-K470 WeakPolarHBondContact O-CG 3.31Å; P466-K470 PolarHBondContact O-NZ 2.91Å
467F71.8Confident70Confident66 Ų6699.4 Ų99.429%0.28954%0.537SS..Hα-helixtrans-88-56.5167.4175.4-93.7000110.7T436 E464 W465 T469 K470 L471T436-F467 HydrophobicContact CG2-CE2 4.14Å; T436-F467 HydrophobicContact CG2-CZ 4.15Å; E464-F467 WeakPolarHBondContact O-CA 3.4Å; E464-F467 WeakPolarHBondContact O-CB 3.48Å; E464-F467 PolarHBondContact O-N 3.34Å; W465-F467 PolarHBondContact O-N 2.88Å; F467-T469 VanDerWaalsContact C-N 3.33Å; F467-T469 PolarHBondContact O-N 2.85Å; F467-K470 PolarHBondContact O-N 2.78Å; F467-K470 VanDerWaalsContact O-N 3.08Å; F467-L471 HydrophobicContact CE1-CD1 4.13Å; F467-L471 HydrophobicContact CZ-CD1 4.2Å; F467-L471 PolarHBondContact O-N 3Å
468W74.2Confident71.6Confident143 Ų14395.9 Ų95.954%0.54253%0.525SS..Hα-helixtrans-58.9-41.3-177-74107.2000112.8E464 K470 L471 I472E464-W468 VanDerWaalsContact O-CD1 3.29Å; E464-W468 PolarHBondContact O-N 3.34Å; W468-K470 VanDerWaalsContact C-N 3.34Å; W468-K470 PolarHBondContact O-N 3.07Å; W468-L471 PolarHBondContact O-N 3.08Å; W468-I472 VanDerWaalsContact O-CG1 3.28Å; W468-I472 WeakPolarHBondContact O-CG1 3.35Å; W468-I472 PolarHBondContact O-N 2.98Å
469T81.4Confident73.5Confident59 Ų5994.3 Ų94.336%0.36251%0.511SS..Hα-helixtrans-58.7-40.2175.547.70000113.2W465 P466 F467 I472 V473W465-T469 HydrophobicContact CE3-CG2 4.14Å; W465-T469 WeakPolarHBondContact O-CB 3.41Å; W465-T469 WeakPolarHBondContact O-CG2 3.32Å; W465-T469 PolarHBondContact O-N 2.67Å; W465-T469 VanDerWaalsContact O-N 3.09Å; W465-T469 PolarHBondContact O-OG1 2.74Å; P466-T469 WeakPolarHBondContact CA-OG1 3.29Å; F467-T469 VanDerWaalsContact C-N 3.33Å; F467-T469 PolarHBondContact O-N 2.85Å; T469-I472 PolarHBondContact O-N 3.4Å; T469-V473 WeakPolarHBondContact O-CG2 3.34Å; T469-V473 PolarHBondContact O-N 2.91Å
470K80.1Confident75.4Confident115 Ų11592.2 Ų92.250%0.550%0.497SS..Hα-helixtrans-65.6-41.7175.6-66.4-173.8-173.585.40111.6P466 F467 W468 V473 V474P466-K470 WeakPolarHBondContact O-CG 3.31Å; P466-K470 PolarHBondContact O-NZ 2.91Å; F467-K470 PolarHBondContact O-N 2.78Å; F467-K470 VanDerWaalsContact O-N 3.08Å; W468-K470 VanDerWaalsContact C-N 3.34Å; W468-K470 PolarHBondContact O-N 3.07Å; K470-V473 PolarHBondContact O-N 3.39Å; K470-V474 WeakPolarHBondContact O-CG2 3.22Å; K470-V474 PolarHBondContact O-N 3.1Å; K470-V474 VanDerWaalsContact O-N 3.13Å
471L81.2Confident77.1Confident83 Ų8387.4 Ų87.444%0.43549%0.485SS..Hα-helixtrans-65.9-41179.2-167147.4000111.4F467 W468 V474 A475F467-L471 HydrophobicContact CE1-CD1 4.13Å; F467-L471 HydrophobicContact CZ-CD1 4.2Å; F467-L471 PolarHBondContact O-N 3Å; W468-L471 PolarHBondContact O-N 3.08Å; L471-V474 PolarHBondContact O-N 2.82Å; L471-A475 WeakPolarHBondContact O-CB 3.28Å; L471-A475 PolarHBondContact O-N 2.79Å
472I85.2Confident78.8Confident92 Ų9288 Ų8847%0.47247%0.473SS..Hα-helixtrans-62.7-48.5174.9-69.4163.6000111.5W468 T469 V474 A475 I476W468-I472 VanDerWaalsContact O-CG1 3.28Å; W468-I472 WeakPolarHBondContact O-CG1 3.35Å; W468-I472 PolarHBondContact O-N 2.98Å; T469-I472 PolarHBondContact O-N 3.4Å; I472-V474 PolarHBondContact O-N 2.92Å; I472-A475 PolarHBondContact O-N 3.44Å; I472-I476 HydrophobicContact CG2-CD1 3.76Å; I472-I476 HydrophobicContact CG2-CG1 4.45Å; I472-I476 WeakPolarHBondContact O-CG1 3.41Å; I472-I476 PolarHBondContact O-N 3.38Å
473V85.6Confident80.4Confident100 Ų10088.3 Ų88.361%0.60647%0.471SS*.Hα-helixtrans-57.8-39.2177.7167.10000111.6T469 K470 G477T469-V473 WeakPolarHBondContact O-CG2 3.34Å; T469-V473 PolarHBondContact O-N 2.91Å; K470-V473 PolarHBondContact O-N 3.39Å; V473-G477 PolarHBondContact O-N 2.9Å
474V85.1Confident82.1Confident37 Ų3785.8 Ų85.822%0.22445%0.454CS..Hα-helixtrans-73.1-38.5179.3173.20000111.6V429 L432 K470 L471 I472 G477 F478V429-V474 HydrophobicContact CG2-CG1 4.29Å; L432-V474 HydrophobicContact CD1-CB 4Å; L432-V474 HydrophobicContact CD1-CG1 3.7Å; L432-V474 HydrophobicContact CD1-CG2 3.42Å; L432-V474 VanDerWaalsContact CD1-CG2 3.42Å; K470-V474 WeakPolarHBondContact O-CG2 3.22Å; K470-V474 PolarHBondContact O-N 3.1Å; K470-V474 VanDerWaalsContact O-N 3.13Å; L471-V474 PolarHBondContact O-N 2.82Å; I472-V474 PolarHBondContact O-N 2.92Å; V474-G477 PolarHBondContact O-N 3.03Å; V474-F478 WeakPolarHBondContact O-CB 3.32Å; V474-F478 PolarHBondContact O-N 3.48Å
475A86.5Confident83.6Confident47 Ų4783 Ų8339%0.38844%0.442SS..Hα-helixtrans-63.2-41.1173.600000112L471 I472 F478 T479L471-A475 WeakPolarHBondContact O-CB 3.28Å; L471-A475 PolarHBondContact O-N 2.79Å; I472-A475 PolarHBondContact O-N 3.44Å; A475-F478 PolarHBondContact O-N 3.09Å; A475-T479 VanDerWaalsContact O-CB 3.31Å; A475-T479 WeakPolarHBondContact O-CB 3.33Å; A475-T479 PolarHBondContact O-N 3.32Å; A475-T479 PolarHBondContact O-OG1 2.95Å
476I91.3Very high85.1Confident112 Ų11280.3 Ų80.357%0.57443%0.433SS*.Hα-helixtrans-62.9-48.5173.7-67.6166.4000110.4I472 F478 T479 G480I472-I476 HydrophobicContact CG2-CD1 3.76Å; I472-I476 HydrophobicContact CG2-CG1 4.45Å; I472-I476 WeakPolarHBondContact O-CG1 3.41Å; I472-I476 PolarHBondContact O-N 3.38Å; I476-F478 PolarHBondContact O-N 3.17Å; I476-T479 PolarHBondContact O-N 3.5Å; I476-G480 PolarHBondContact O-N 3.25Å
477G89.3Confident85.9Confident37 Ų3782.1 Ų82.138%0.38144%0.438SS..Hα-helixtrans-59.8-42.2177.700000113.3V473 V474 G481V473-G477 PolarHBondContact O-N 2.9Å; V474-G477 PolarHBondContact O-N 3.03Å; G477-G481 PolarHBondContact O-N 3.03Å
478F87.7Confident86.5Confident102 Ų10281.4 Ų81.445%0.44744%0.435SS..Hα-helixtrans-64.9-45.7175.1-176.4-111000112M425 V474 A475 I476 G481 L482M425-F478 HydrophobicContact CE-CB 3.75Å; M425-F478 HydrophobicContact CE-CD2 4.2Å; M425-F478 HydrophobicContact CE-CG 4.49Å; V474-F478 WeakPolarHBondContact O-CB 3.32Å; V474-F478 PolarHBondContact O-N 3.48Å; A475-F478 PolarHBondContact O-N 3.09Å; I476-F478 PolarHBondContact O-N 3.17Å; F478-G481 PolarHBondContact O-N 3.28Å; F478-L482 HydrophobicContact CD1-CD1 4.01Å; F478-L482 HydrophobicContact CD1-CG 4.41Å; F478-L482 HydrophobicContact CE1-CD1 3.49Å; F478-L482 VanDerWaalsContact CE1-CD1 3.49Å; F478-L482 HydrophobicContact CE1-CG 4.12Å; F478-L482 HydrophobicContact CE2-CD1 4.5Å; F478-L482 HydrophobicContact CE2-CD2 4.35Å; F478-L482 HydrophobicContact CE2-CG 4.33Å; F478-L482 HydrophobicContact CZ-CD1 3.77Å; F478-L482 HydrophobicContact CZ-CD2 4.19Å; F478-L482 HydrophobicContact CZ-CG 4.08Å; F478-L482 WeakPolarHBondContact O-CG 3.41Å; F478-L482 PolarHBondContact O-N 3.18Å
479T91.6Very high87Confident73 Ų7377 Ų7745%0.44843%0.426SS..Hα-helixtrans-63.1-46.7179.9-56.10000111.5A475 I476 G481 L482 I483A475-T479 VanDerWaalsContact O-CB 3.31Å; A475-T479 WeakPolarHBondContact O-CB 3.33Å; A475-T479 PolarHBondContact O-N 3.32Å; A475-T479 PolarHBondContact O-OG1 2.95Å; I476-T479 PolarHBondContact O-N 3.5Å; T479-G481 VanDerWaalsContact C-N 3.34Å; T479-G481 PolarHBondContact O-N 3.08Å; T479-L482 PolarHBondContact O-N 3.13Å; T479-I483 HydrophobicContact CG2-CD1 4.02Å; T479-I483 WeakPolarHBondContact O-CG1 3.41Å; T479-I483 PolarHBondContact O-N 3.19Å
480G90.8Very high87.2Confident40 Ų4079.3 Ų79.341%0.41243%0.431SS..Hα-helixtrans-61.4-40.8174.100000112.7I476 I483 F484I476-G480 PolarHBondContact O-N 3.25Å; G480-I483 PolarHBondContact O-N 2.71Å; G480-F484 WeakPolarHBondContact O-CB 3.38Å; G480-F484 PolarHBondContact O-N 2.75Å
481G88.9Confident87.4Confident38 Ų3877 Ų7739%0.39243%0.426SS..Hα-helixtrans-61.5-43.7174.400000113.3G477 F478 T479 M485G477-G481 PolarHBondContact O-N 3.03Å; F478-G481 PolarHBondContact O-N 3.28Å; T479-G481 VanDerWaalsContact C-N 3.34Å; T479-G481 PolarHBondContact O-N 3.08Å; G481-M485 VanDerWaalsContact O-CB 3.27Å; G481-M485 WeakPolarHBondContact O-CB 3.06Å; G481-M485 PolarHBondContact O-N 3.11Å
482L89Confident87.5Confident75 Ų7576 Ų7639%0.39342%0.417SS..Hα-helixtrans-64-44.2175.3-73.3-174.5000112.2F478 T479 M485 Y486F478-L482 HydrophobicContact CD1-CD1 4.01Å; F478-L482 HydrophobicContact CD1-CG 4.41Å; F478-L482 HydrophobicContact CE1-CD1 3.49Å; F478-L482 VanDerWaalsContact CE1-CD1 3.49Å; F478-L482 HydrophobicContact CE1-CG 4.12Å; F478-L482 HydrophobicContact CE2-CD1 4.5Å; F478-L482 HydrophobicContact CE2-CD2 4.35Å; F478-L482 HydrophobicContact CE2-CG 4.33Å; F478-L482 HydrophobicContact CZ-CD1 3.77Å; F478-L482 HydrophobicContact CZ-CD2 4.19Å; F478-L482 HydrophobicContact CZ-CG 4.08Å; F478-L482 WeakPolarHBondContact O-CG 3.41Å; F478-L482 PolarHBondContact O-N 3.18Å; T479-L482 PolarHBondContact O-N 3.13Å; L482-M485 HydrophobicContact CD2-CE 3.73Å; L482-M485 PolarHBondContact O-N 2.75Å; L482-Y486 WeakPolarHBondContact O-CB 3.08Å; L482-Y486 PolarHBondContact O-N 3.33Å
483I91.1Very high87.4Confident98 Ų9875.3 Ų75.350%0.50341%0.414SS..Hα-helixtrans-62.2-46.3178.3-68.5165.5000110.5T479 G480 Y486 I487T479-I483 HydrophobicContact CG2-CD1 4.02Å; T479-I483 WeakPolarHBondContact O-CG1 3.41Å; T479-I483 PolarHBondContact O-N 3.19Å; G480-I483 PolarHBondContact O-N 2.71Å; I483-Y486 PolarHBondContact O-N 2.87Å; I483-I487 HydrophobicContact CG2-CD1 4.08Å; I483-I487 WeakPolarHBondContact O-CG1 3.49Å; I483-I487 PolarHBondContact O-N 3.07Å
484F87.8Confident87.3Confident96 Ų9676 Ų7642%0.42141%0.411SS..Hα-helixtrans-61.7-46.2176.1-175.2-102.7000111.7F417 H418 G480 Y486 I487 Q488F417-F484 HydrophobicContact CE1-CE1 4.28Å; H418-F484 AromaticContact CE1-CE1 3.66Å; H418-F484 AromaticContact NE2-CD1 3.44Å; H418-F484 WeakPolarHBondContact NE2-CD1 3.41Å; H418-F484 AromaticContact NE2-CE1 3.32Å; H418-F484 VanDerWaalsContact NE2-CE1 3.32Å; H418-F484 WeakPolarHBondContact NE2-CE1 3.44Å; G480-F484 WeakPolarHBondContact O-CB 3.38Å; G480-F484 PolarHBondContact O-N 2.75Å; F484-Y486 VanDerWaalsContact C-N 3.31Å; F484-Y486 PolarHBondContact O-N 3.41Å; F484-I487 PolarHBondContact O-N 3.26Å; F484-Q488 HydrophobicContact CD1-CG 4.34Å; F484-Q488 HydrophobicContact CE1-CG 4.05Å; F484-Q488 HydrophobicContact CZ-CG 4.17Å; F484-Q488 WeakPolarHBondContact O-CG 3.4Å; F484-Q488 PolarHBondContact O-N 2.96Å
485M88.1Confident87.1Confident73 Ų7376.5 Ų76.536%0.3641%0.412SS..Hα-helixtrans-60.9-37.7176.5-175.2175.268.900112.1I422 G481 L482 Q488 C489I422-M485 HydrophobicContact CD1-SD 3.85Å; I422-M485 HydrophobicContact CG1-SD 4.36Å; G481-M485 VanDerWaalsContact O-CB 3.27Å; G481-M485 WeakPolarHBondContact O-CB 3.06Å; G481-M485 PolarHBondContact O-N 3.11Å; L482-M485 HydrophobicContact CD2-CE 3.73Å; L482-M485 PolarHBondContact O-N 2.75Å; M485-Q488 PolarHBondContact O-N 2.77Å; M485-C489 WeakPolarHBondContact O-CB 3.39Å; M485-C489 PolarHBondContact O-N 3.09Å
486Y87.9Confident86.7Confident144 Ų14480.7 Ų80.757%0.56542%0.417SS*.Hα-helixtrans-66.6-41.1176.5175.2-101.3000112.6L482 I483 F484 Q488 C489 K490L482-Y486 WeakPolarHBondContact O-CB 3.08Å; L482-Y486 PolarHBondContact O-N 3.33Å; I483-Y486 PolarHBondContact O-N 2.87Å; F484-Y486 VanDerWaalsContact C-N 3.31Å; F484-Y486 PolarHBondContact O-N 3.41Å; Y486-Q488 VanDerWaalsContact C-N 3.35Å; Y486-Q488 PolarHBondContact O-N 2.76Å; Y486-C489 WeakPolarHBondContact O-CB 3.23Å; Y486-C489 PolarHBondContact O-N 2.91Å; Y486-K490 HydrophobicContact CE1-CD 4.49Å; Y486-K490 VanDerWaalsContact CZ-CE 3.49Å; Y486-K490 PolarHBondContact O-N 2.73Å; Y486-K490 VanDerWaalsContact O-N 3.14Å; Y486-K490 WeakPolarHBondContact OH-CE 3.39Å; Y486-K490 PolarHBondContact OH-NZ 3.24Å
487I89Confident86.3Confident95 Ų9583.9 Ų83.949%0.48742%0.422SS..Hα-helixtrans-61-45.5174.5-67.3163.5000110.3I483 F484 C489 K490I483-I487 HydrophobicContact CG2-CD1 4.08Å; I483-I487 WeakPolarHBondContact O-CG1 3.49Å; I483-I487 PolarHBondContact O-N 3.07Å; F484-I487 PolarHBondContact O-N 3.26Å; I487-C489 VanDerWaalsContact C-N 3.35Å; I487-K490 PolarHBondContact O-N 3.29Å
488Q84.9Confident85.8Confident50 Ų5090.3 Ų90.323%0.23444%0.435CS..Hα-helixtrans-69.5-32.8177.1-60.4-71-15.800111.8F484 M485 Y486 K490 V491 Y492F484-Q488 HydrophobicContact CD1-CG 4.34Å; F484-Q488 HydrophobicContact CE1-CG 4.05Å; F484-Q488 HydrophobicContact CZ-CG 4.17Å; F484-Q488 WeakPolarHBondContact O-CG 3.4Å; F484-Q488 PolarHBondContact O-N 2.96Å; M485-Q488 PolarHBondContact O-N 2.77Å; Y486-Q488 VanDerWaalsContact C-N 3.35Å; Y486-Q488 PolarHBondContact O-N 2.76Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 2.91Å; Q488-V491 WeakPolarHBondContact O-CB 3.32Å; Q488-V491 PolarHBondContact O-N 3.38Å; Q488-Y492 HydrophobicContact CB-CE2 4.04Å; Q488-Y492 WeakPolarHBondContact O-CD2 3.27Å; Q488-Y492 PolarHBondContact O-N 2.71Å
489C84Confident85.2Confident50 Ų5087.7 Ų87.734%0.33843%0.425SS..Hα-helixtrans-58.1-40.3173.3-169.40000112M485 Y486 I487 V491 Y492 L493M485-C489 WeakPolarHBondContact O-CB 3.39Å; M485-C489 PolarHBondContact O-N 3.09Å; Y486-C489 WeakPolarHBondContact O-CB 3.23Å; Y486-C489 PolarHBondContact O-N 2.91Å; I487-C489 VanDerWaalsContact C-N 3.35Å; C489-V491 VanDerWaalsContact C-N 3.27Å; C489-V491 PolarHBondContact O-N 3.49Å; C489-Y492 PolarHBondContact O-N 2.66Å; C489-L493 WeakPolarHBondContact O-CB 3.46Å; C489-L493 VanDerWaalsContact O-CG 3.27Å; C489-L493 WeakPolarHBondContact O-CG 3.49Å; C489-L493 PolarHBondContact O-N 2.72Å
490K85.7Confident84.5Confident108 Ų10888.5 Ų88.547%0.4742%0.423SS..Hα-helixtrans-57.6-38.9173.6-73-174.9176.6177.30112.3Y486 I487 Q488 Q494Y486-K490 HydrophobicContact CE1-CD 4.49Å; Y486-K490 VanDerWaalsContact CZ-CE 3.49Å; Y486-K490 PolarHBondContact O-N 2.73Å; Y486-K490 VanDerWaalsContact O-N 3.14Å; Y486-K490 WeakPolarHBondContact OH-CE 3.39Å; Y486-K490 PolarHBondContact OH-NZ 3.24Å; I487-K490 PolarHBondContact O-N 3.29Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 2.91Å; K490-Q494 VanDerWaalsContact O-CG 3.31Å; K490-Q494 WeakPolarHBondContact O-CG 3.25Å; K490-Q494 PolarHBondContact O-N 3.24Å
491V84.9Confident83.8Confident66 Ų6689.1 Ų89.140%0.442%0.424SS..Hα-helixtrans-67.6-47.3175.8-175.50000111Q488 C489 L493 Q494 L495Q488-V491 WeakPolarHBondContact O-CB 3.32Å; Q488-V491 PolarHBondContact O-N 3.38Å; C489-V491 VanDerWaalsContact C-N 3.27Å; C489-V491 PolarHBondContact O-N 3.49Å; V491-L493 VanDerWaalsContact C-N 3.33Å; V491-L493 PolarHBondContact O-N 2.68Å; V491-Q494 PolarHBondContact O-N 3.04Å; V491-L495 HydrophobicContact CG1-CD1 4.25Å; V491-L495 WeakPolarHBondContact O-CD1 3.31Å; V491-L495 PolarHBondContact O-N 3.16Å; V491-L495 VanDerWaalsContact O-N 3.09Å
492Y83.4Confident83Confident64 Ų6492.1 Ų92.125%0.25143%0.426SS..Hα-helixtrans-60.7-40.2176.6-62.1-52.7000112.4I411 S414 V415 Q488 C489 L495 W496I411-Y492 HydrophobicContact CG2-CE1 4.18Å; S414-Y492 WeakPolarHBondContact CB-OH 3.48Å; S414-Y492 PolarHBondContact OG-OH 2.96Å; S414-Y492 VanDerWaalsContact OG-OH 3.05Å; V415-Y492 HydrophobicContact CG2-CD1 4.43Å; V415-Y492 HydrophobicContact CG2-CE1 3.56Å; V415-Y492 HydrophobicContact CG2-CE2 4.47Å; V415-Y492 WeakPolarHBondContact CG2-OH 3.49Å; V415-Y492 PolarHBondContact N-OH 2.85Å; Q488-Y492 HydrophobicContact CB-CE2 4.04Å; Q488-Y492 WeakPolarHBondContact O-CD2 3.27Å; Q488-Y492 PolarHBondContact O-N 2.71Å; C489-Y492 PolarHBondContact O-N 2.66Å; Y492-L495 PolarHBondContact O-N 3.03Å; Y492-W496 WeakPolarHBondContact O-CB 3.02Å; Y492-W496 PolarHBondContact O-N 3.48Å
493L82.6Confident82.4Confident76 Ų7688.6 Ų88.640%0.39841%0.408SS..Hα-helixtrans-66.7-36.6176-72.1170.8000112.6C489 V491 W496 R497C489-L493 WeakPolarHBondContact O-CB 3.46Å; C489-L493 VanDerWaalsContact O-CG 3.27Å; C489-L493 WeakPolarHBondContact O-CG 3.49Å; C489-L493 PolarHBondContact O-N 2.72Å; V491-L493 VanDerWaalsContact C-N 3.33Å; V491-L493 PolarHBondContact O-N 2.68Å; L493-W496 HydrophobicContact CD2-CE3 4.48Å; L493-W496 PolarHBondContact O-N 2.9Å; L493-R497 WeakPolarHBondContact O-CB 3.44Å; L493-R497 VanDerWaalsContact O-CG 3.27Å; L493-R497 WeakPolarHBondContact O-CG 3.41Å; L493-R497 PolarHBondContact O-N 3.18Å
494Q82.9Confident81.9Confident116 Ų11690.7 Ų90.754%0.54241%0.409SS..Hα-helixtrans-63-42.9172.2-76.2174.42.700111.7K490 V491 R497 R498K490-Q494 VanDerWaalsContact O-CG 3.31Å; K490-Q494 WeakPolarHBondContact O-CG 3.25Å; K490-Q494 PolarHBondContact O-N 3.24Å; V491-Q494 PolarHBondContact O-N 3.04Å; Q494-R497 PolarHBondContact O-N 2.79Å; Q494-R498 WeakPolarHBondContact O-CG 3.32Å; Q494-R498 PolarHBondContact O-N 2.88Å; Q494-R498 VanDerWaalsContact O-N 3.09Å
495L81.6Confident81.3Confident46 Ų4689.3 Ų89.324%0.24141%0.406CS..Hα-helixtrans-65.5-39.8174.8-90.468.9000111.7I411 V491 Y492 R498 L499I411-L495 HydrophobicContact CD1-CD2 3.36Å; I411-L495 HydrophobicContact CG1-CD2 3.94Å; V491-L495 HydrophobicContact CG1-CD1 4.25Å; V491-L495 WeakPolarHBondContact O-CD1 3.31Å; V491-L495 PolarHBondContact O-N 3.16Å; V491-L495 VanDerWaalsContact O-N 3.09Å; Y492-L495 PolarHBondContact O-N 3.03Å; L495-R498 PolarHBondContact O-N 2.96Å; L495-L499 WeakPolarHBondContact O-CB 3.43Å; L495-L499 PolarHBondContact O-N 3.27Å
496W78.3Confident80.9Confident135 Ų13589.3 Ų89.351%0.51141%0.407SS..Hα-helixtrans-66-39.2175.9-17470.5000112.5Y492 L493 R498 L499 K500Y492-W496 WeakPolarHBondContact O-CB 3.02Å; Y492-W496 PolarHBondContact O-N 3.48Å; L493-W496 HydrophobicContact CD2-CE3 4.48Å; L493-W496 PolarHBondContact O-N 2.9Å; W496-R498 PolarHBondContact O-N 2.81Å; W496-L499 PolarHBondContact O-N 3.36Å; W496-K500 HydrophobicContact CH2-CD 4.46Å; W496-K500 VanDerWaalsContact O-CB 3.3Å; W496-K500 WeakPolarHBondContact O-CB 3.26Å; W496-K500 PolarHBondContact O-N 3.38Å
497R83.6Confident80.6Confident179 Ų17983.6 Ų83.668%0.67539%0.386SS*.Hα-helixtrans-59.5-43.7171.4-74.1172.8-174.3-169.71.4111.6L493 Q494 K500 A501L493-R497 WeakPolarHBondContact O-CB 3.44Å; L493-R497 VanDerWaalsContact O-CG 3.27Å; L493-R497 WeakPolarHBondContact O-CG 3.41Å; L493-R497 PolarHBondContact O-N 3.18Å; Q494-R497 PolarHBondContact O-N 2.79Å; R497-K500 PolarHBondContact O-N 2.99Å; R497-A501 WeakPolarHBondContact O-CB 3.47Å; R497-A501 PolarHBondContact O-N 2.98Å
498R78.7Confident80.4Confident172 Ų17279.1 Ų79.165%0.64936%0.364SS*.Hα-helixtrans-63.8-42.7174.7-71.6179.2177-172.5-0.7112.2Q494 L495 W496 A501 F502Q494-R498 WeakPolarHBondContact O-CG 3.32Å; Q494-R498 PolarHBondContact O-N 2.88Å; Q494-R498 VanDerWaalsContact O-N 3.09Å; L495-R498 PolarHBondContact O-N 2.96Å; W496-R498 PolarHBondContact O-N 2.81Å; R498-A501 PolarHBondContact O-N 2.88Å; R498-F502 WeakPolarHBondContact O-CB 3.49Å; R498-F502 PolarHBondContact O-N 3.12Å
499L74.4Confident80.6Confident47 Ų4781 Ų8125%0.24637%0.372CS..Hα-helixtrans-64.8-39.5176.2-178.365.7000112.5W398 L401 L495 W496 F502 N503W398-L499 HydrophobicContact CE3-CD1 4.38Å; W398-L499 HydrophobicContact CE3-CD2 3.96Å; W398-L499 HydrophobicContact CE3-CG 3.92Å; W398-L499 HydrophobicContact CZ3-CD2 3.69Å; W398-L499 HydrophobicContact CZ3-CG 3.69Å; L401-L499 HydrophobicContact CB-CD1 3.61Å; L401-L499 HydrophobicContact CD2-CB 4.28Å; L401-L499 HydrophobicContact CD2-CD1 4.28Å; L495-L499 WeakPolarHBondContact O-CB 3.43Å; L495-L499 PolarHBondContact O-N 3.27Å; W496-L499 PolarHBondContact O-N 3.36Å; L499-F502 PolarHBondContact O-N 3.38Å; L499-N503 WeakPolarHBondContact CD1-ND2 3.4Å; L499-N503 PolarHBondContact O-N 3.39Å; L499-N503 PolarHBondContact O-ND2 2.84Å
500K76.6Confident80.7Confident91 Ų9182 Ų8240%0.39637%0.374SS..Hα-helixtrans-66.6-39.2175-179.4170.9172.8166.90111.7L392 W496 R497 R504L392-K500 HydrophobicContact CD1-CD 4.32Å; L392-K500 HydrophobicContact CD1-CG 4.18Å; L392-K500 HydrophobicContact CD2-CG 3.75Å; W496-K500 HydrophobicContact CH2-CD 4.46Å; W496-K500 VanDerWaalsContact O-CB 3.3Å; W496-K500 WeakPolarHBondContact O-CB 3.26Å; W496-K500 PolarHBondContact O-N 3.38Å; R497-K500 PolarHBondContact O-N 2.99Å; K500-R504 PolarHBondContact O-N 2.73Å
501A76.8Confident80.7Confident52 Ų5277.3 Ų77.343%0.4336%0.355SS..Hα-helixtrans-65-42.7172.900000112.1R497 R498 N503 R504R497-A501 WeakPolarHBondContact O-CB 3.47Å; R497-A501 PolarHBondContact O-N 2.98Å; R498-A501 PolarHBondContact O-N 2.88Å; A501-N503 VanDerWaalsContact C-N 3.34Å; A501-N503 PolarHBondContact O-N 3Å; A501-R504 WeakPolarHBondContact O-CB 3.22Å; A501-R504 PolarHBondContact O-N 3.04Å
502F71.3Confident80.3Confident102 Ų10277.9 Ų77.945%0.44736%0.36SS..Hα-helixtrans-66.9-31.3178.1-169.7-92.2000113.5E399 L401 R498 L499E399-F502 HydrophobicContact CB-CE1 3.91Å; L401-F502 HydrophobicContact CD1-CB 3.99Å; L401-F502 HydrophobicContact CD1-CD1 4.27Å; L401-F502 HydrophobicContact CD1-CD2 3.88Å; L401-F502 HydrophobicContact CD1-CE2 4.46Å; L401-F502 HydrophobicContact CD1-CG 3.77Å; R498-F502 WeakPolarHBondContact O-CB 3.49Å; R498-F502 PolarHBondContact O-N 3.12Å; L499-F502 PolarHBondContact O-N 3.38Å
503N76Confident79.6Confident0 Ų082.1 Ų82.10%038%0.382CS..THydrogen-bonded Turntrans-97.614.5178.1-71.7-80.3000113.8K393 W398 E399 L499 A501K393-N503 HydrophobicContact CB-CB 4.48Å; K393-N503 HydrophobicContact CD-CB 4.5Å; K393-N503 PolarHBondContact N-O 3.49Å; W398-N503 WeakPolarHBondContact CA-OD1 3.33Å; W398-N503 HydrophobicContact CD2-CB 3.85Å; W398-N503 HydrophobicContact CE3-CB 4.42Å; W398-N503 HydrophobicContact CG-CB 4.07Å; W398-N503 HydrophobicContact CZ2-CB 4.21Å; E399-N503 PolarHBondContact N-OD1 2.88Å; L499-N503 WeakPolarHBondContact CD1-ND2 3.4Å; L499-N503 PolarHBondContact O-N 3.39Å; L499-N503 PolarHBondContact O-ND2 2.84Å; A501-N503 VanDerWaalsContact C-N 3.34Å; A501-N503 PolarHBondContact O-N 3Å
504R80.5Confident78.1Confident142 Ų14285.9 Ų85.954%0.53640%0.396SS..BIsolated β-bridgetrans-84.7121.1171.9-176.5179.965.5-166.60.8109.9T390 L392 K500 A501T390-R504 HydrophobicContact CG2-CG 4.29Å; L392-R504 HydrophobicContact CD2-CB 4.17Å; K500-R504 PolarHBondContact O-N 2.73Å; A501-R504 WeakPolarHBondContact O-CB 3.22Å; A501-R504 PolarHBondContact O-N 3.04Å
505I76.8Confident76.2Confident67 Ų6787.6 Ų87.634%0.34441%0.408SS..PPolyproline II helixtrans-93.6149.1166.2-70.2174.6000108T390 K391 K393 T507T390-I505 CarbonylContact C-O 3.6Å; T390-I505 WeakPolarHBondContact CA-O 3.49Å; K391-I505 PolarHBondContact N-O 3.41Å; K391-I505 WeakPolarHBondContact O-CA 3.49Å; K391-I505 PolarHBondContact O-N 2.97Å; K393-I505 HydrophobicContact CD-CD1 4.27Å; K393-I505 HydrophobicContact CG-CD1 3.47Å; K393-I505 VanDerWaalsContact CG-CD1 3.47Å; K393-I505 HydrophobicContact CG-CG1 3.86Å; I505-T507 HydrophobicContact CG2-CG2 3.77Å
506I79.2Confident74.7Confident74 Ų7492 Ų9238%0.37943%0.431SS..PPolyproline II helixtrans-98.9124.3161.3-58.7170.6000105.8N368 M388 E389 T390N368-I506 PolarHBondContact OD1-O 3.49Å; M388-I506 HydrophobicContact CB-CG2 3.86Å; M388-I506 HydrophobicContact CG-CG2 3.97Å; M388-I506 HydrophobicContact SD-CG2 3.93Å; E389-I506 WeakPolarHBondContact O-CA 3.36Å; T390-I506 HydrophobicContact CG2-CG1 4.17Å
507T81.8Confident73.1Confident23 Ų2393.8 Ų93.814%0.14145%0.445CS..EExtended strand (participates in β ladder)trans-115.2120.6174.549.70000107.9E389 I505E389-T507 PolarHBondContact N-O 3Å; E389-T507 PolarHBondContact O-N 2.92Å; E389-T507 PolarHBondContact O-OG1 3.39Å; I505-T507 HydrophobicContact CG2-CG2 3.77Å
508V85.4Confident70.8Confident2 Ų293.3 Ų93.31%0.01245%0.45CS..EExtended strand (participates in β ladder)trans-82.6127.5173.3-176.90000109I350 P352 Q364 L367 I371 F386 I387 M388I350-V508 HydrophobicContact CD1-CB 4.49Å; P352-V508 HydrophobicContact CB-CG1 3.78Å; Q364-V508 PolarHBondContact NE2-O 3.27Å; Q364-V508 PolarHBondContact OE1-O 3.09Å; L367-V508 HydrophobicContact CD2-CB 3.72Å; L367-V508 HydrophobicContact CD2-CG1 3.77Å; L367-V508 HydrophobicContact CD2-CG2 3.91Å; L367-V508 HydrophobicContact CG-CG2 4.49Å; I371-V508 HydrophobicContact CD1-CG2 3.67Å; F386-V508 HydrophobicContact CB-CG1 3.85Å; F386-V508 HydrophobicContact CB-CG2 4.36Å; F386-V508 HydrophobicContact CD1-CG1 4.39Å; F386-V508 HydrophobicContact CG-CG1 4.34Å; I387-V508 CarbonylContact O-C 3.6Å; I387-V508 WeakPolarHBondContact O-CA 3.27Å; M388-V508 HydrophobicContact CG-CG2 4.29Å
509Q87.6Confident69Low89 Ų8989.4 Ų89.442%0.41645%0.447SS..PPolyproline II helixtrans-83165.1170.8-72.1-157.43.400112.3I387 E389I387-Q509 HydrophobicContact CB-CB 4.33Å; I387-Q509 HydrophobicContact CG2-CB 4.15Å; I387-Q509 PolarHBondContact O-N 2.77Å; E389-Q509 HydrophobicContact CG-CG 4.37Å; E389-Q509 PolarHBondContact OE2-NE2 3.25Å
510N87.6Confident67.3Low71 Ų7193.7 Ų93.738%0.3848%0.478SS..PPolyproline II helixtrans-55.7145.9163.6-71.13.5000110.7I350 T351I350-N510 VanDerWaalsContact CA-OD1 3.24Å; I350-N510 WeakPolarHBondContact CA-OD1 3.4Å; I350-N510 WeakPolarHBondContact CB-OD1 3.43Å; I350-N510 WeakPolarHBondContact CG2-OD1 3.28Å; T351-N510 PolarHBondContact N-OD1 3.03Å; T351-N510 WeakPolarHBondContact O-CA 3.03Å; T351-N510 VanDerWaalsContact OG1-CG 3.25Å; T351-N510 PolarHBondContact OG1-ND2 3.4Å
511C84.9Confident65.5Low9 Ų997.5 Ų97.56%0.06150%0.497CS..PPolyproline II helixtrans-66134.7164.8-175.30000109T351 R354 F384 E513T351-C511 WeakPolarHBondContact O-CB 3.32Å; T351-C511 PolarHBondContact O-N 3.02Å; R354-C511 WeakPolarHBondContact CG-SG 3.37Å; R354-C511 PolarHBondContact NH1-SG 3.29Å; F384-C511 HydrophobicContact CE1-CB 3.88Å; F384-C511 WeakPolarHBondContact CE1-SG 3.41Å; F384-C511 HydrophobicContact CZ-CB 4.37Å; F384-C511 WeakPolarHBondContact CZ-SG 3.46Å; C511-E513 PolarHBondContact O-N 3.04Å; C511-E513 VanDerWaalsContact O-N 3.16Å
512P77.3Confident63.6Low79 Ų7999.4 Ų99.451%0.51351%0.513SS..PPolyproline II helixtrans-62.2122.5172.425.4-33.8000109.6R354 I387 K514R354-P512 PolarHBondContact NH1-O 2.89Å; I387-P512 HydrophobicContact CD1-CG 4.33Å; P512-K514 PolarHBondContact O-N 3.48Å
513E66.9Low62.1Low152 Ų152106 Ų10671%0.7153%0.534SS*.PPolyproline II helixtrans-57.3128.4178.3-72.1166.8-163.900110.4C511 N515C511-E513 PolarHBondContact O-N 3.04Å; C511-E513 VanDerWaalsContact O-N 3.16Å; E513-N515 VanDerWaalsContact C-N 3.31Å; E513-N515 PolarHBondContact O-N 3.33Å; E513-N515 PolarHBondContact O-ND2 2.94Å
514K52.5Low60.3Low156 Ų156112.1 Ų112.168%0.67858%0.575SS**  trans-70.996.9166.2-80.7-179.1174.6-172.90106.8P512 L516P512-K514 PolarHBondContact O-N 3.48Å; K514-L516 PolarHBondContact O-N 3.42Å
515N42Very low58.1Low152 Ų152109.1 Ų109.181%0.81359%0.588SS**  trans-53.3106.7176.8-85-120.8000109.2E513E513-N515 VanDerWaalsContact C-N 3.31Å; E513-N515 PolarHBondContact O-N 3.33Å; E513-N515 PolarHBondContact O-ND2 2.94Å
516L50.1Low55.9Low138 Ų138111 Ų11172%0.72361%0.614SS**  trans-122.3113173.1-77.5176.2000107.9K514K514-L516 PolarHBondContact O-N 3.42Å
517H45.7Very low53.7Low173 Ų173116.5 Ų116.580%0.80164%0.64SS**  trans6187.6169.9-52.8-71.2000117.3
518H34.2Very low51.4Low169 Ų169121.5 Ų121.578%0.78268%0.675SS**  trans-134.1124.3133-135.8-79.6000110.2
519P41.8Very low48.9Very low89 Ų89129.4 Ų129.458%0.57872%0.718SS**  trans-71.1153172.130.5-34000110.3Q521P519-Q521 PolarHBondContact O-N 2.88Å
520P39.3Very low46.2Very low138 Ų138128.2 Ų128.290%0.89673%0.729SS**  trans-74.192.6-17430-35.3000111.6
521Q38.3Very low43.5Very low170 Ų170133.3 Ų133.379%0.79475%0.748SS**PPolyproline II helixtrans-78.3143.1172-73.7-14626.700112.6P519P519-Q521 PolarHBondContact O-N 2.88Å
522A35.6Very low41.1Very low92 Ų92139.7 Ų139.776%0.7678%0.777SS**PPolyproline II helixtrans-52.9146.9-169.200000116.3
523R40.8Very low39Very low240 Ų240144.3 Ų144.391%0.90679%0.791SS**PPolyproline II helixtrans-72.5131.4155.9-70.9177.1173167.3-2.9109.6
524P37.6Very low37.4Very low130 Ų130141.2 Ų141.284%0.84479%0.792SS**PPolyproline II helixtrans-66130.5157.3-16.131.1000109.5
525G35.3Very low36.5Very low79 Ų79139.8 Ų139.881%0.81480%0.796SS**PPolyproline II helixtrans-90.1156.4-179.400000113.6
526A30.8Very low36Very low107 Ų107141 Ų14188%0.88480%0.797SS**  trans-120.4143.316300000109.1
527M33.2Very low35.2Very low189 Ų189140.5 Ų140.593%0.93180%0.799SS**  trans-91.5147.2-156.4-58.3168.971.600114.4
528S33Very low35.6Very low127 Ų127137.5 Ų137.589%0.88880%0.795SS**  trans-142.7161.2145.764.30000109.1
529N31.5Very low35.5Very low169 Ų169136 Ų13690%0.90480%0.797SS**  trans-131.8143.3-156.1-174.516000112
530G31.3Very low35.1Very low63 Ų63135.8 Ų135.865%0.64980%0.803SS**  trans124.190157.700000119.3
531K30.8Very low35.3Very low178 Ų178135.4 Ų135.477%0.77480%0.801SS**  57.3102.4118.6-161.2-154.8-169.2-141.50120.9
532H35.3Very low35.2Very low144 Ų144131.7 Ų131.767%0.66780%0.799SS**  -169.4172.4105.7-118.3-78.6000113.1
533E33.6Very low35Very low175 Ų175135.9 Ų135.982%0.81881%0.808SS**  trans-94.8152.2-171.4-61.2159.986.400115.4
534A32.3Very low34.7Very low88 Ų88128.5 Ų128.573%0.72780%0.798SS**  trans159.1121.8142.500000107.4
535V34Very low34.8Very low126 Ų126128.6 Ų128.676%0.76480%0.798SS**  55.6116.170.2-174.60000109.8
536E32.1Very low34.7Very low178 Ų178128.9 Ų128.983%0.83279%0.794SS**  cis-147.6-161.137.8-147.4150.1-127.500114.6
537V33.7Very low34.7Very low126 Ų126131.7 Ų131.776%0.76479%0.788SS**  trans-151.2172.1-159.9-176.70000108.8
538P53.4Low34.7Very low110 Ų110130.6 Ų130.671%0.71479%0.786SS**  cis-117.5-161-37.230.2-9.3000113.2
539V31.6Very low35.1Very low137 Ų137132.2 Ų132.283%0.8378%0.782SS**  trans130.9139.3141.4177.90000114.6
540A34.3Very low35Very low86 Ų86131.5 Ų131.571%0.71178%0.778SS**  trans-111.1-176.5-179.500000110.4
541P43.7Very low35.5Very low130 Ų130134 Ų13484%0.84479%0.785SS**  cis-137.6-168.642.939.5-18.1000114.8
542A35Very low35.6Very low91 Ų91132.8 Ų132.875%0.75279%0.787SS**  trans-95.8164.2-174.400000114.6
543L31Very low35.8Very low181 Ų181133.8 Ų133.895%0.94880%0.797SS**  trans-146.7169.5150.7-139.675.6000111.2
544A35.3Very low36.1Very low85 Ų85130.5 Ų130.570%0.70279%0.793SS**  trans-79.9162.1-169.100000114.3
545P39.4Very low36.3Very low131 Ų131133 Ų13385%0.85180%0.799SS**  trans-76.2151.1-176.731.8-36.5000113.3
546A32.7Very low36.6Very low86 Ų86136.2 Ų136.271%0.71181%0.806SS**  trans-112.9118.717900000112.5
547Q32.7Very low36.8Very low166 Ų166132 Ų13278%0.77680%0.801SS**  trans55.2120.7141.8-61.1178.9-51.600120.2M549Q547-M549 HydrophobicContact CB-CE 4.22Å
548D32.6Very low37Very low165 Ų165130.9 Ų130.988%0.88281%0.805SS**  trans-57.1153.2153.9-72.8-75.2000111.9
549M40.6Very low36.4Very low162 Ų162132.5 Ų132.580%0.79881%0.812SS**  trans-111.5100.7176-63.1-67.9144.300109.3Q547Q547-M549 HydrophobicContact CB-CE 4.22Å
550D30.5Very low36.9Very low153 Ų153130 Ų13082%0.81881%0.806SS**  trans-76.6161.3174.9-141.5-42.2000111.4
551S41.3Very low37.6Very low115 Ų115132 Ų13280%0.80481%0.812SS**  trans-15881.9179.7-75.70000111.9
552D33.3Very low37.8Very low154 Ų154133.3 Ų133.382%0.82481%0.812SS**  trans-58.7146.6170.8-104.7-49.8000113.4
553L37.8Very low38.5Very low165 Ų165134.5 Ų134.586%0.86481%0.812SS**  trans-143.779.8150.9-167.566.6000111.9
554S40Very low38.9Very low105 Ų105133.1 Ų133.173%0.73481%0.806SS**  trans53123.8148.5-60.40000120.9
555V36.3Very low39.8Very low140 Ų140133.6 Ų133.685%0.84880%0.802SS**  trans-72.5145.8169.1173.20000112.1
556E41Very low39.7Very low195 Ų195138 Ų13891%0.91183%0.825SS**  trans-113.1139.4151.3-165.1179.5117.500108.9
557A37Very low40Very low89 Ų89140.6 Ų140.674%0.73683%0.831SS**  trans-99143.8-162.800000114.1
558A37.4Very low40.4Very low103 Ų103139.2 Ų139.285%0.85183%0.834SS**  trans-127125.4168.300000110.2
559V40.1Very low40.8Very low143 Ų143137.8 Ų137.887%0.86783%0.831SS**PPolyproline II helixtrans-81.5139.5-171.9174.10000111.8
560A43.9Very low40.9Very low85 Ų85136.4 Ų136.470%0.70283%0.833SS**PPolyproline II helixtrans-93146.2168.400000111
561P48.2Very low41.5Very low128 Ų128135.3 Ų135.383%0.83183%0.834SS**PPolyproline II helixtrans-83.1146.7-179.233.3-35000113.3
562D46.9Very low41.5Very low157 Ų157136.7 Ų136.784%0.8484%0.836SS**PPolyproline II helixtrans-70150.3175.4-96-54.7000114
563P50.8Low42.1Very low116 Ų116135.4 Ų135.475%0.75384%0.837SS**  trans-84.7114.7166.433.3-29.9000111.4
564N39.2Very low42.5Very low152 Ų152133.2 Ų133.281%0.81384%0.835SS**  trans-71.4141.8174.4-167.786.6000111.6
565P55Low42.7Very low96 Ų96135.5 Ų135.562%0.62384%0.843SS**  trans-85.7173.9-177.435.2-37.7000114.4
566V36Very low43.2Very low222 Ų222135.1 Ų135.1100%1.34584%0.843SS**  trans78.40177.3-167.10000115

Retrieved 566 of 566 residues in 710.5 ms (Link to these results)