A0A087X8Y6_POEFO Loading...

TOX high mobility group box family member 4 b

AlphaFold DB , UniProt , Accession A0A087X8Y6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33Very low37.9Very low213 Ų213147.6 Ų147.6100%1.04976%0.761SS**  0102.80-62.470.2-176.200106.1
2D36.4Very low37.4Very low134 Ų134141.6 Ų141.672%0.71776%0.762SS**  87.9134.980.2-65.1-45.1000109.6
3L39.9Very low37.3Very low125 Ų125141.2 Ų141.265%0.65477%0.768SS**  cis-157.6145.9-2.5-121.3166.5000109.7F5L3-F5 HydrophobicContact CD2-CB 4.27Å; L3-F5 HydrophobicContact CD2-CD2 3.69Å; L3-F5 HydrophobicContact CD2-CG 4.46Å
4N35.3Very low37Very low172 Ų172136.4 Ų136.492%0.9277%0.768SS**  trans-142.3136152.8-116.1-12.8000106.8
5F44.2Very low36.9Very low162 Ų162137.8 Ų137.871%0.71177%0.765SS**  trans-125.8105.4-159.1-155.2-103000112L3L3-F5 HydrophobicContact CD2-CB 4.27Å; L3-F5 HydrophobicContact CD2-CD2 3.69Å; L3-F5 HydrophobicContact CD2-CG 4.46Å
6Y39.1Very low36.7Very low190 Ų190138.3 Ų138.375%0.74576%0.759SS**  trans64.3134.7169.1-72.7-105.7000116.3
7S38.3Very low36.4Very low87 Ų87137.9 Ų137.961%0.60876%0.756SS**  cis74.9135.144.9-70.70000113.1
8D37.1Very low36.3Very low122 Ų122135.9 Ų135.965%0.65276%0.761SS**  cis-167.1153-1.5-117.3-47000111.3
9L38.8Very low36Very low151 Ų151136.8 Ų136.879%0.79176%0.764SS**  trans60.5163.2152.8-56.8169.1000117.9
10T35.6Very low36.8Very low114 Ų114134.6 Ų134.670%0.69976%0.756SS**  cis-161.7163.8-23.8-95.50000109.1
11D39.1Very low36.7Very low154 Ų154136 Ų13682%0.82476%0.757SS**  trans-19.6141.2162.9-150-73000118
12G32.5Very low36.6Very low75 Ų75133.9 Ų133.977%0.77374%0.742SS**  trans-178.4121.2177.300000116.4
13T36.1Very low36.8Very low137 Ų137133.7 Ų133.784%0.8474%0.74SS**  trans-84.5146.9-176.551.80000115.9
14G32.3Very low36.5Very low74 Ų74133.6 Ų133.676%0.76374%0.74SS**  trans81.2178.5155.900000116.8
15Q35.8Very low36.7Very low157 Ų157130.9 Ų130.973%0.73473%0.732SS**  cis-173.8137.3-12.5174.675.111.200107.5
16H33.5Very low36.3Very low145 Ų145132.1 Ų132.167%0.67174%0.74SS**  trans60.6173.6171.4-82.1-131.7000116.4
17D32.3Very low36.1Very low132 Ų132127.7 Ų127.771%0.70674%0.742SS**  cis-169.4132.6-36.8-101.4-167.9000105.3
18A34.8Very low35.9Very low102 Ų102132.2 Ų132.284%0.84375%0.751SS**  trans174.9104.4151.500000112.7
19D30.9Very low36Very low154 Ų154132.9 Ų132.982%0.82476%0.755SS**  trans-74.2176.4155.2-130.6-115000109.2
20P50.9Low35.6Very low92 Ų92128.8 Ų128.860%0.59775%0.749SS**  cis-143.8179.513.345-26.3000118.5
21E34.3Very low35.6Very low164 Ų164131.9 Ų131.977%0.76675%0.753SS**  trans64.4135.8160.3-71.1176.694.800117.5
22F32.6Very low35.2Very low168 Ų168131 Ų13174%0.73775%0.749SS**  cis-159.5137.836.5-168.9-122.6000113.2
23L40.2Very low35.4Very low130 Ų130131.9 Ų131.968%0.68174%0.743SS**  trans64.891.8165.4-63.7-178.5000122.2
24D33.4Very low35.2Very low123 Ų123132.1 Ų132.166%0.65874%0.739SS**  65.9106.7106.8-167.119.6000121.9
25P39.4Very low35.3Very low116 Ų116133.5 Ų133.575%0.75374%0.737SS**  trans-109.2122.7154.735.1-23000112.7A27P25-A27 PolarHBondContact O-N 3.39Å
26H36Very low35.4Very low188 Ų188133.8 Ų133.887%0.8774%0.736SS**PPolyproline II helixtrans-56125.8-179.3-114.5-79.6000113.8
27A34.8Very low35.3Very low96 Ų96135 Ų13579%0.79374%0.739SS**PPolyproline II helixtrans-85.3159.3-168.900000116.1P25P25-A27 PolarHBondContact O-N 3.39Å
28F33.5Very low35.8Very low183 Ų183134 Ų13480%0.80374%0.74SS**PPolyproline II helixtrans-101.8138.8173.6173.2-97.1000110.1
29N40.1Very low35.7Very low135 Ų135133.1 Ų133.172%0.72274%0.742SS**  trans63.6131-179.2-69.2-11000118.3
30G30.2Very low35.7Very low66 Ų66129.9 Ų129.968%0.6874%0.744SS**  trans-121121.7149.600000107.6
31F35.2Very low35Very low178 Ų178130.6 Ų130.678%0.78175%0.751SS**  71.9141.6102.5-90.9-103.9000113.6
32D29.9Very low35.5Very low137 Ų137130.3 Ų130.373%0.73375%0.75SS**  cis-120170.637.2-153.6-106.5000116.7
33S38.3Very low35.9Very low93 Ų93128.7 Ų128.765%0.6575%0.749SS**  trans-164126.5179.9-72.10000110.2
34D31.3Very low35.6Very low141 Ų141132.6 Ų132.675%0.75476%0.756SS**  trans-132.1140.8173.2-166-100.4000112.9
35S34.1Very low36.3Very low103 Ų103134 Ų13472%0.7276%0.763SS**  trans56.2133.8164.2-66.90000121.3
36K36.8Very low36.3Very low164 Ų164133.7 Ų133.771%0.71376%0.763SS**  cis170.3105.8-47.5168.899.2-175.9-179.90109.3
37F31.6Very low36.3Very low169 Ų169132.8 Ų132.874%0.74176%0.763SS**  trans67.7176.2153.8-74.3-121.6000117.1
38P44.3Very low36.7Very low111 Ų111134.1 Ų134.172%0.72176%0.764SS**  -140.1132.1-56.738.9-22.1000116.1
39G31.3Very low36.8Very low85 Ų85128.4 Ų128.488%0.87676%0.757SS**  trans61-165.215700000117.4
40G30.4Very low36.6Very low85 Ų85128.1 Ų128.188%0.87677%0.765SS**  trans105.1116.6173.900000114.9
41S37.4Very low36.8Very low107 Ų107128.1 Ų128.175%0.74877%0.766SS**  trans-71.815117552.60000114
42E45.3Very low37Very low159 Ų159129 Ų12974%0.74377%0.772SS**  trans62.5133141.9-70.4-61.6132.100121.4
43N40.7Very low37.8Very low133 Ų133128 Ų12871%0.71177%0.773SS**  trans82.4154145.8-101.2-89.5000122.8
44Y34.4Very low37.7Very low212 Ų212133.4 Ų133.483%0.83179%0.785SS**  trans85.9131.4164.1-107.8-97.9000123.1
45L47.5Very low38Very low153 Ų153135.3 Ų135.380%0.80179%0.794SS**  trans-78.4135.8176-64.7126.8000111.7
46S38.4Very low38Very low109 Ų109136.1 Ų136.176%0.76280%0.8SS**  trans-175118.6145-85.90000112.5
47I35.8Very low38.4Very low170 Ų170134.2 Ų134.287%0.87281%0.807SS**  trans-129.393.8160.2-57.8-179.1000108.7G49I47-G49 PolarHBondContact O-N 2.78Å
48P44.7Very low39.3Very low123 Ų123131.1 Ų131.180%0.79981%0.807SS**  trans-93.584.2179.734.8-32.1000112.5
49G34.1Very low39Very low64 Ų64134.2 Ų134.266%0.6681%0.811SS**  trans68.9-178.316600000116.6I47I47-G49 PolarHBondContact O-N 2.78Å
50S36.4Very low39.6Very low128 Ų128135.5 Ų135.590%0.89580%0.802SS**  cis-164.6125.8-18.842.50000108.7
51G34.4Very low39.8Very low67 Ų67141.3 Ų141.369%0.69180%0.804SS**  trans174.713.1-174.300000122
52H39.6Very low40.2Very low196 Ų196144 Ų14491%0.90780%0.804SS**  trans-121.1113.3172.7-86-76.8000112.2F54H52-F54 PolarHBondContact O-N 3.12Å
53P47.8Very low40.1Very low116 Ų116142.2 Ų142.275%0.75380%0.804SS**  trans-95.885.2-171.136.1-34000112.7
54F35.6Very low40.2Very low206 Ų206141.5 Ų141.590%0.90481%0.807SS**  trans-155.846.5158.3-123.6-73.3000114.7H52H52-F54 PolarHBondContact O-N 3.12Å
55L37.3Very low40.6Very low182 Ų182135.4 Ų135.495%0.95380%0.795SS**  trans-123.6100.1162.6-71.5177.3000109.4
56S35.1Very low40.4Very low119 Ų119136.5 Ų136.583%0.83280%0.801SS**  trans-114.1126.3162.1-172.20000107.2S58S56-S58 PolarHBondContact O-N 3.03Å
57S43.6Very low40.3Very low124 Ų124134.1 Ų134.187%0.86779%0.793SS**  trans-89.7108.5-16254.20000113.7
58S51Low40.9Very low105 Ų105132.6 Ų132.673%0.73479%0.787SS**  trans-160.2162.5158.653.40000110.2S56S56-S58 PolarHBondContact O-N 3.03Å
59E37.5Very low40.9Very low175 Ų175134.6 Ų134.682%0.81879%0.786SS**  trans69.291173-111.4155.7103.700117.9
60T44.8Very low41.7Very low112 Ų112140 Ų14069%0.68779%0.794SS**  trans15.4104.9130.4-47.70000117.3H62T60-H62 PolarHBondContact O-N 2.93Å
61F33.8Very low41.9Very low207 Ų207142 Ų14291%0.90879%0.786SS**  trans-69.3108.8155.5-99-94.2000109.5T63F61-T63 PolarHBondContact O-N 3.49Å; F61-T63 VanDerWaalsContact O-N 3.11Å
62H45.5Very low42.7Very low164 Ų164146.8 Ų146.876%0.75979%0.791SS**  trans-68.8101.4166.2-92.7-82.3000110T60 P64T60-H62 PolarHBondContact O-N 2.93Å; H62-P64 WeakPolarHBondContact O-CD 3.34Å
63T43.3Very low43.2Very low121 Ų121144.6 Ų144.674%0.74278%0.784SS**  trans-65.7126.7145.240.70000108F61 S65F61-T63 PolarHBondContact O-N 3.49Å; F61-T63 VanDerWaalsContact O-N 3.11Å; T63-S65 PolarHBondContact O-N 3.23Å
64P43.3Very low43.5Very low119 Ų119143.8 Ų143.877%0.77378%0.779SS**  trans-70.1101.2168.8-14.429.8000108.5H62 L66H62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-L66 PolarHBondContact O-N 3.31Å
65S44.2Very low44.1Very low83 Ų83139.8 Ų139.858%0.5877%0.774SS**  trans-71.2119.6168.9-154.60000108.8T63 D68T63-S65 PolarHBondContact O-N 3.23Å; S65-D68 PolarHBondContact OG-OD1 3.06Å
66L42.8Very low44.4Very low177 Ų177138.3 Ų138.393%0.92777%0.765SS**  trans-142.1100.1168.9-96.4173000106.6P64P64-L66 PolarHBondContact O-N 3.31Å
67G35.8Very low44.6Very low58 Ų58138.3 Ų138.360%0.59877%0.765SS**  cis-164.8127.8-800000110.1E69G67-E69 PolarHBondContact O-N 2.9Å
68D48.3Very low44.3Very low139 Ų139140.2 Ų140.274%0.74377%0.765SS**  trans-76.254.9179.835.2-59.2000112.2S65 E70S65-D68 PolarHBondContact OG-OD1 3.06Å; D68-E70 PolarHBondContact O-N 2.87Å
69E45.3Very low43.8Very low164 Ų164142.5 Ų142.577%0.76677%0.769SS**  trans-76.999.6164.7-82.7-165.991.400110.2G67 F71G67-E69 PolarHBondContact O-N 2.9Å; E69-F71 HydrophobicContact CB-CD2 4.48Å; E69-F71 PolarHBondContact O-N 3.15Å
70E50.6Low44.4Very low178 Ų178139.7 Ų139.783%0.83277%0.766SS**  trans-61.488.1169.6-177.4167.8-127.900111D68 E72D68-E70 PolarHBondContact O-N 2.87Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.02Å
71F39.5Very low43.8Very low169 Ų169142.2 Ų142.274%0.74178%0.775SS**  trans-73.787.6163.6-90.6-92.9000109.6E69 I73E69-F71 HydrophobicContact CB-CD2 4.48Å; E69-F71 PolarHBondContact O-N 3.15Å; F71-I73 PolarHBondContact O-N 3.1Å
72E52.9Low44.4Very low169 Ų169137.6 Ų137.679%0.7977%0.769SS**  trans-52.9107.1155.1-75.8-165.9118.200108.1E70 P74E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.02Å; E72-P74 WeakPolarHBondContact O-CD 3.43Å
73I49.9Very low44.1Very low149 Ų149134.1 Ų134.176%0.76477%0.768SS**  trans-70.9113176.2-58.2175.4000107.3F71F71-I73 PolarHBondContact O-N 3.1Å
74P52.5Low43.9Very low99 Ų99136.3 Ų136.364%0.64378%0.775SS**  trans-65.1141.7177.2-17.332.9000109.1E72 I76E72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-I76 PolarHBondContact O-N 2.61Å; P74-I76 VanDerWaalsContact O-N 3.13Å
75P49.7Very low43.8Very low123 Ų123137.3 Ų137.380%0.79978%0.778SS**  trans-59.2122-179.223.8-33.3000110.2S77P75-S77 PolarHBondContact O-N 2.81Å
76I42.5Very low43.8Very low150 Ų150140.6 Ų140.677%0.76980%0.795SS**  trans-66.899178.642.6166.8000110.6P74 L78P74-I76 PolarHBondContact O-N 2.61Å; P74-I76 VanDerWaalsContact O-N 3.13Å; I76-L78 PolarHBondContact O-N 3.33Å; I76-L78 VanDerWaalsContact O-N 3.12Å
77S39.3Very low44.1Very low119 Ų119137.5 Ų137.583%0.83279%0.788SS**  trans-60.7113.1164.6-68.90000109.4P75 D79P75-S77 PolarHBondContact O-N 2.81Å; S77-D79 PolarHBondContact O-N 3.12Å
78L37Very low44.5Very low164 Ų164141.3 Ų141.386%0.85980%0.795SS**  trans-72.8116.6165.1-66170.8000108.4I76I76-L78 PolarHBondContact O-N 3.33Å; I76-L78 VanDerWaalsContact O-N 3.12Å
79D40.8Very low44.4Very low154 Ų154141.6 Ų141.682%0.82480%0.801SS**  trans-126.3114.9164.6-142.5-50.6000107.4S77S77-D79 PolarHBondContact O-N 3.12Å
80P49.8Very low44.4Very low116 Ų116140.4 Ų140.475%0.75381%0.805SS**  trans-91.6108.9-167.833.4-32.1000111.8
81D32.7Very low43.8Very low165 Ų165137 Ų13788%0.88280%0.801SS**  trans-115.6139.7166.5-146.5-21.7000112.3
82S46.2Very low44Very low110 Ų110138 Ų13877%0.76981%0.807SS**  trans-102.1116.6-154.2-63.30000113
83A39.7Very low43.3Very low90 Ų90140.4 Ų140.474%0.74482%0.815SS**  trans-154.8137.9162.400000113.6
84L38.3Very low42.6Very low168 Ų168136.6 Ų136.688%0.8881%0.813SS**  trans66.967.2161.7-47.1-174.1000117.6
85T42.2Very low41.7Very low139 Ų139140.2 Ų140.285%0.85382%0.821SS**  trans-66.1145153.744.50000111.1S87T85-S87 PolarHBondContact O-N 3.27Å
86V44.8Very low41Very low152 Ų152142.9 Ų142.992%0.92183%0.828SS**SBendtrans-8891.1-178.1-78.60000111.9
87S49.2Very low40.6Very low112 Ų112140.9 Ų140.978%0.78383%0.827SS**  trans-145.639.5178.7-169.90000114.4T85T85-S87 PolarHBondContact O-N 3.27Å
88D43.3Very low40.3Very low139 Ų139142.9 Ų142.974%0.74383%0.828SS**  trans-145.358.1179.3-150.1-21.8000113.6
89V45.7Very low40.2Very low144 Ų144138.8 Ų138.887%0.87382%0.819SS**SBendtrans-131.76.4176.2-178.80000112.3
90V45Very low39.7Very low139 Ų139135.7 Ų135.784%0.84282%0.823SS**SBendtrans-132.653.8177-162.40000112
91S38.9Very low38.9Very low107 Ų107133.7 Ų133.775%0.74882%0.823SS**  trans-160.263.6162.8-83.10000112.4
92H43.4Very low39Very low190 Ų190131.3 Ų131.388%0.8882%0.82SS**  trans-133.733.6172.4-148.1-60.7000114.1
93F38.3Very low38.4Very low219 Ų219133.9 Ų133.996%0.96183%0.825SS**SBendtrans-133.859.3163.9-152.2-88.6000110
94G36.4Very low38.1Very low69 Ų69132.7 Ų132.771%0.71182%0.821SS**SBendtrans-146.7100.7-177.800000111.2
95E32.2Very low37.9Very low175 Ų175130.9 Ų130.982%0.81882%0.817SS**  trans39.8115.1155.8-144.398.7108.600119.9S97E95-S97 PolarHBondContact O-N 3.04Å
96L34.8Very low37.4Very low180 Ų180130.1 Ų130.194%0.94281%0.811SS**  trans-73.9105.1155.7-78.9166.3000109.2
97S34.2Very low37Very low107 Ų107129.2 Ų129.275%0.74881%0.806SS**  trans-150113.4166.1-83.90000113.9E95E95-S97 PolarHBondContact O-N 3.04Å
98D33.2Very low37.1Very low161 Ų161129.7 Ų129.786%0.86181%0.807SS**  trans-1.5136.3168.5-150.9-145.7000123.8
99A34.5Very low36.5Very low79 Ų79126.5 Ų126.565%0.65381%0.806SS**  trans51.795.4142.100000123.6
100G30.8Very low35.9Very low88 Ų88127.4 Ų127.491%0.90781%0.806SS**  86.9163.1112.100000120.6
101G32.6Very low35.2Very low74 Ų74125 Ų12576%0.76380%0.801SS**  trans120.768.216400000118.4
102S35.3Very low34.8Very low116 Ų116126.3 Ų126.381%0.81180%0.804SS**  trans15.8143.814658.90000123.5
103D33.7Very low34.3Very low164 Ų164122.8 Ų122.888%0.87780%0.796SS**  trans82.2155154.9-119.6-105.3000118.2
104G33.2Very low33.9Very low65 Ų65121.4 Ų121.467%0.6779%0.792SS**  trans-144.9-126.6-164.300000114.1
105V33.3Very low33.6Very low130 Ų130121.3 Ų121.379%0.78879%0.791SS**  trans91.398171.4-178.40000117.4
106V32.2Very low33.5Very low122 Ų122120.9 Ų120.974%0.73980%0.795SS**  92.6109.3129.2161.30000122.5
107V36.9Very low33.3Very low134 Ų134118.9 Ų118.981%0.81279%0.785SS**  trans84147.2131165.70000119.6
108P51.5Low34.1Very low122 Ų122118.9 Ų118.979%0.79278%0.782SS**  trans-122.3-173-14244.3-32.1000115.4
109G31.4Very low34Very low71 Ų71115.6 Ų115.673%0.73277%0.772SS**  trans-164.9138.417000000114
110N31.3Very low33.7Very low163 Ų163121.2 Ų121.287%0.87278%0.782SS**  trans-69.4138.7-170.7-68.12.5000116.1
111A31.3Very low33.6Very low88 Ų88120.7 Ų120.773%0.72777%0.769SS**  64.4146.8124.800000124.4
112V29.3Very low33.8Very low136 Ų136121.7 Ų121.782%0.82477%0.77SS**  trans94.7146.7135.9105.90000120.8
113V34.4Very low34.5Very low115 Ų115121.6 Ų121.670%0.69777%0.767SS**  trans71105.7163.2168.40000118.6
114E28.8Very low34.4Very low191 Ų191124.2 Ų124.289%0.89377%0.766SS**  44.1140.9110.6-146.2-178128.600120.9
115G30.1Very low34.6Very low67 Ų67127.5 Ų127.569%0.69177%0.773SS**  trans144.5113.2154.900000117.1
116D30.9Very low34.4Very low166 Ų166125 Ų12589%0.88877%0.774SS**  trans47.8123.4142.6-87.3-137.4000123.6
117D30.8Very low34.4Very low138 Ų138123.8 Ų123.874%0.73878%0.776SS**  trans-44.7149.2139.7-148.4-104.4000108.8
118P49.9Very low34.9Very low107 Ų107123 Ų12370%0.69577%0.773SS**  -163.9176.154.846.6-24.5000121.2
119S32.2Very low34.3Very low92 Ų92122 Ų12264%0.64377%0.77SS**  trans81.5133.9136.8-146.50000121.8
120F28.8Very low34.5Very low196 Ų196127.9 Ų127.986%0.8678%0.778SS**  trans105.7129.3130.2-131.7-113.5000121.2
121A28.1Very low34.5Very low77 Ų77123.7 Ų123.764%0.63677%0.773SS**  trans56.4109.8153.500000121.5
122A36.9Very low34.5Very low96 Ų96127.1 Ų127.179%0.79378%0.779SS**  trans-69.9161.4135.500000110
123P49Very low34.7Very low113 Ų113127.9 Ų127.973%0.73477%0.773SS**  -155.7157.1103.440.9-23.6000118.5
124Y33.3Very low34.4Very low219 Ų219129.7 Ų129.786%0.85977%0.774SS**  trans77.9127.8134.8-94.5-136.8000124.9
125V37.1Very low34.6Very low135 Ų135127.4 Ų127.482%0.81877%0.767SS**  trans82.5130.6134.81680000121.3
126G27.9Very low34.4Very low78 Ų78129.6 Ų129.680%0.80477%0.767SS**  trans155101.6150.800000116
127A33.1Very low34.4Very low95 Ų95129.8 Ų129.879%0.78577%0.767SS**  trans-129.1156.3164.200000109.2
128P47.7Very low34.3Very low117 Ų117126.9 Ų126.976%0.7677%0.77SS**  -157.7133.8109.636.9-16.7000119
129S38.4Very low33.5Very low103 Ų103128.7 Ų128.772%0.7278%0.779SS**  trans55.5162.513074.90000126.3
130Q35.5Very low33.7Very low194 Ų194133.2 Ų133.291%0.90779%0.792SS**  trans86.3139.1169.3-49.1-172.929.300117.6
131G30.2Very low33.7Very low74 Ų74130 Ų13076%0.76378%0.784SS**  cis172.9-178.7-7.700000115.3
132L32.9Very low34Very low161 Ų161134.4 Ų134.484%0.84379%0.791SS**  trans83.8167.3167.9-127.484.2000121.3
133E31.8Very low33.8Very low152 Ų152135.9 Ų135.971%0.7180%0.795SS**  trans-138.4174.7-147.561.6-99-3.300119.2
134H29.9Very low32.8Very low153 Ų153134.2 Ų134.271%0.70880%0.799SS**  trans119.585.8137.7-157.5-77.5000122.7
135L31.4Very low32.7Very low143 Ų143127.4 Ų127.475%0.74980%0.795SS**  50.2135.6121.3-83.9171.3000125.8
136T26.4Very low32.2Very low112 Ų112126.8 Ų126.869%0.68780%0.797SS**  trans111.3100.4136.7-59.40000122
137L32Very low32.4Very low170 Ų170127.4 Ų127.489%0.8980%0.795SS**  trans24.1144130.8-72.3156.6000124.1
138G28.9Very low32.5Very low78 Ų78130.6 Ų130.680%0.80480%0.798SS**  trans-170.5118.4148.500000113.6
139V31.9Very low32.1Very low145 Ų145132.9 Ų132.988%0.87980%0.803SS**  trans-146138.7175.991.60000112.2
140M35.7Very low31.5Very low186 Ų186131 Ų13192%0.91680%0.799SS**  trans-173.3162.6-178.149.9176.7168.700111.6
141N30.8Very low31.3Very low130 Ų130128.1 Ų128.170%0.69580%0.801SS**  cis-167.4106.1-41.3177.537.9000111.2
142Q34.2Very low31.3Very low169 Ų169129.3 Ų129.379%0.7980%0.797SS**  trans55.3169.7150.5-74.8-168.793.600124.3
143S31Very low31.5Very low126 Ų126129.4 Ų129.488%0.88180%0.798SS**  trans77146.9170.6760000116.9
144G29.1Very low31.5Very low79 Ų79125.3 Ų125.381%0.81480%0.796SS**  cis-162.4-177.7-2.800000110.8
145G31Very low32.1Very low75 Ų75126.6 Ų126.677%0.77381%0.805SS**  trans-146.3-164.3-174.200000116.2
146S27Very low31.9Very low123 Ų123127 Ų12786%0.8681%0.807SS**  trans105.892.2170.8-50.80000119.6
147A31.4Very low32.2Very low91 Ų91129.1 Ų129.175%0.75281%0.814SS**  67.3153.711100000125
148L35Very low32Very low162 Ų162124.3 Ų124.385%0.84881%0.806SS**  trans78.6136.1168.2-48.2-175.4000115.8
149L38.8Very low32.1Very low165 Ų165129.1 Ų129.186%0.86481%0.807SS**  cis-133.5179.411.6-68.7167000110.6
150G26.6Very low33Very low63 Ų63127.3 Ų127.365%0.64980%0.798SS**  cis141135.1-8.400000114.3
151S32.5Very low33Very low134 Ų134126.7 Ų126.794%0.93780%0.797SS**  trans72150.2179.6-58.40000117.4
152S29Very low32.9Very low99 Ų99124 Ų12469%0.69280%0.799SS**  cis-166.2136.3-19.4-177.30000106.6
153L38.2Very low33Very low162 Ų162121.7 Ų121.785%0.84880%0.801SS**  -163.9149.377-74.4159.3000107
154G31.7Very low33.1Very low66 Ų66123.3 Ų123.368%0.6880%0.795SS**  70.1120.87500000111.2
155M41.1Very low33.1Very low181 Ų181128.3 Ų128.389%0.89280%0.795SS**  cis-161.115417.9-89.3172.9177.700108.7
156D27.7Very low33Very low150 Ų150129.9 Ų129.980%0.80279%0.794SS**  cis-156.7-146-11.5-146.883.4000111.4
157L32.3Very low33.1Very low158 Ų158130 Ų13083%0.82780%0.795SS**  trans-129148-159.1-174.169.1000114.7
158G28.6Very low33Very low69 Ų69130.8 Ų130.871%0.71180%0.795SS**  trans175.790.4172.800000117.8
159H31.6Very low32.8Very low179 Ų179128.4 Ų128.483%0.82979%0.791SS**  trans-106.2-173.3161.1-55.6-41.1000109.1
160P50.3Low33Very low106 Ų106126.7 Ų126.769%0.68879%0.791SS**  cis-138.1-179.3-6.140.2-21.5000115.8
161I35.3Very low33.4Very low174 Ų174130.4 Ų130.489%0.89280%0.8SS**  trans59.6128.4148.1-71156.8000119.8
162G28.1Very low33.7Very low72 Ų72130.3 Ų130.374%0.74279%0.794SS**  trans156.511115800000114.3
163S37.1Very low34Very low121 Ų121133.5 Ų133.585%0.84680%0.802SS**  trans-91.8134.1169175.70000110.1
164Q32.8Very low33.7Very low160 Ų160132.3 Ų132.375%0.74880%0.796SS**  trans-178.9134.9150.548.2-156.7-3400115.9
165F28.5Very low33.9Very low185 Ų185135.2 Ų135.281%0.81180%0.801SS**  trans66.8141153.9-60.6-57000124.7
166S28.8Very low33.8Very low108 Ų108131.7 Ų131.776%0.75579%0.791SS**  trans65.8105.7149.2-60.60000121
167S29Very low34.2Very low125 Ų125132.6 Ų132.687%0.87480%0.795SS**  trans-103146.8146.1-173.40000108.8
168S30.6Very low34.3Very low107 Ų107128.7 Ų128.775%0.74879%0.793SS**  trans-127.4154.6-174.3-63.30000112.9
169S31.3Very low34.4Very low112 Ų112131.9 Ų131.978%0.78379%0.793SS**PPolyproline II helixtrans-68.8158-164.2-53.30000116.2
170P41.4Very low34.9Very low130 Ų130131.4 Ų131.484%0.84479%0.794SS**PPolyproline II helixtrans-71.8172163.533.3-36.4000112.6
171V36.3Very low34.1Very low140 Ų140130 Ų13085%0.84880%0.799SS**PPolyproline II helixtrans-100139.9-165.81790000112.6
172T37.7Very low34.1Very low133 Ų133131.7 Ų131.782%0.81680%0.803SS**PPolyproline II helixtrans-94.6156.7168.635.60000112.5
173I36.7Very low34.2Very low166 Ų166131.8 Ų131.885%0.85180%0.804SS**  trans-106.4137.8175.6-64.2173000108.7
174D31.4Very low34.3Very low136 Ų136134.4 Ų134.473%0.72781%0.807SS**  trans-109.1144.9-176.8-166.5-79.2000111.2
175V34.7Very low34.8Very low128 Ų128135.2 Ų135.278%0.77682%0.816SS**  trans-140.3112.1172-179.80000108.4
176P40.6Very low35Very low107 Ų107130.2 Ų130.270%0.69582%0.816SS**  trans-92.4139.6-168.833.7-35.5000114.1
177L35.5Very low35.5Very low169 Ų169130 Ų13089%0.88582%0.815SS**  trans-118.8124.6156.2-100.574.3000109.2
178G34.4Very low35.7Very low75 Ų75130.9 Ų130.977%0.77381%0.81SS**  trans-103.5178.1154.700000109.4
179D31.3Very low35.9Very low136 Ų136134 Ų13473%0.72781%0.813SS**  cis-161.7-179.6-1.4175.5-140.6000107
180M41.3Very low36.1Very low170 Ų170136.7 Ų136.784%0.83782%0.817SS**  trans77.1132.5167.4-43.8162.2-155.300114.7
181G33.4Very low35.9Very low77 Ų77137.1 Ų137.179%0.79482%0.818SS**  cis-158.9-1790.700000112.2
182Q34.5Very low35.8Very low208 Ų208136.9 Ų136.997%0.97282%0.817SS**  trans-107.2151.6-157.4-62.1174.1-13.600116.3
183G31.4Very low35.9Very low74 Ų74138.8 Ų138.876%0.76382%0.82SS**  trans149.7131.7164.400000111.5
184L39.8Very low35.8Very low177 Ų177136.7 Ų136.793%0.92781%0.811SS**  cis-139.1177.56.1-95.2165.1000111.5
185L42.1Very low36.5Very low176 Ų176140 Ų14092%0.92182%0.822SS**  trans-73.2140.3-170.9-61.8162.3000114
186G32.7Very low37.1Very low80 Ų80138.5 Ų138.583%0.82582%0.817SS**  trans-171.7103.8168.900000111.8
187S38.8Very low37.2Very low104 Ų104141.9 Ų141.973%0.72782%0.824SS**  trans-106.5136.3-165.8580000114.9
188N33.5Very low37.4Very low143 Ų143142.4 Ų142.477%0.76583%0.826SS**  trans59.6123.7154.1-56.7-24.5000118.8
189Q36.2Very low37.6Very low174 Ų174144.5 Ų144.581%0.81383%0.829SS**  -177.9148.793.6-86.3-66.777.100109.7
190L34.4Very low37.9Very low168 Ų168142.1 Ų142.188%0.8883%0.828SS**  trans-84.6142.5172.7-84.469.9000111.1
191T36.5Very low37.6Very low138 Ų138142.7 Ų142.785%0.84783%0.829SS**  trans-141.6144.1151-15.40000110.6
192T35.3Very low37.8Very low136 Ų136147.7 Ų147.783%0.83484%0.837SS**  trans-79.2143.3-178.249.30000112.5
193I40.1Very low37.8Very low173 Ų173141.2 Ų141.289%0.88783%0.826SS**  trans-118.1144.2162.5-79.2176.9000109.2
194D34.3Very low38.3Very low122 Ų122146.4 Ų146.465%0.65284%0.835SS**  trans-99.9148.8-166.7-172-89.7000112.1S196D194-S196 PolarHBondContact O-N 3.46Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.78Å; D194-S196 PolarHBondContact OD1-OG 3.23Å
195Q44.6Very low38.1Very low204 Ų204141 Ų14195%0.95382%0.823SS**SBendtrans-82.749.2-177.3-77.5-166.589.600113.4
196S47.9Very low38Very low98 Ų98141.6 Ų141.669%0.68583%0.825SS**  trans-129.217-173.4-57.90000115.8D194D194-S196 PolarHBondContact O-N 3.46Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.78Å; D194-S196 PolarHBondContact OD1-OG 3.23Å
197E42.6Very low38Very low178 Ų178141.7 Ų141.783%0.83283%0.827SS**  trans-139.276.2-179.6-162.3170.9104.300113.9
198L40.8Very low37.7Very low179 Ų179140.7 Ų140.794%0.93783%0.832SS**SBendtrans-14729.8163.2-141.7103.7000114.5
199S38.3Very low37.6Very low120 Ų120137.2 Ų137.284%0.83983%0.831SS**SBendtrans-134.236.4-179.564.60000113.2
200A37.5Very low37.3Very low85 Ų85136.5 Ų136.570%0.70283%0.832SS**  trans-143.827.6-172.200000115.6
201Q35.4Very low37.2Very low182 Ų182135.6 Ų135.685%0.8583%0.825SS**SBendtrans-132.653.7179.9-164.159.555.100114.1
202L36.9Very low37Very low183 Ų183135.7 Ų135.796%0.95882%0.82SS**  trans-157.962.6154.3-107-177.1000110
203G34.9Very low36.7Very low72 Ų72138.2 Ų138.274%0.74282%0.823SS**  trans-90.7118.8179.500000113
204L41.5Very low36.1Very low182 Ų182141.1 Ų141.195%0.95382%0.822SS**  trans-133.2114.8146.7-74.6-179.2000107.7
205G34.8Very low36.6Very low65 Ų65140.3 Ų140.367%0.6782%0.823SS**  trans-111.9-152.9179.700000112.5
206L40.6Very low35.8Very low187 Ų187139.3 Ų139.398%0.97982%0.819SS**  trans78.9122.1-164.6-49.4166000111.3
207G32Very low35Very low83 Ų83140 Ų14086%0.85682%0.824SS**  cis129.1149.37.300000110
208G34.4Very low35.1Very low82 Ų82137.1 Ų137.185%0.84582%0.821SS**  cis167.5134-5.300000111
209G31.4Very low34.5Very low71 Ų71136.5 Ų136.573%0.73281%0.813SS**  trans93.4164.5-178.600000114.8
210N29.8Very low34.1Very low158 Ų158138 Ų13885%0.84581%0.811SS**  cis-162.1161.51.1-130.83.3000113.5
211M30.9Very low34.7Very low149 Ų149139 Ų13973%0.73481%0.811SS**  trans79.3120.7155.8-60.7-97.7-83.100122.2
212L33Very low34.5Very low140 Ų140138.9 Ų138.973%0.73382%0.815SS**  trans52.8111.9135.9-62.8170.6000121.8
213Q27.8Very low34.2Very low190 Ų190135.6 Ų135.689%0.88881%0.807SS**  177.3164.8102.1-94.9-177.723.500114.4
214R29.3Very low34Very low234 Ų234136.7 Ų136.788%0.88381%0.809SS**  trans-145.4129.3166.7166.2-179.7-90.4-177.5-4.5104.6
215P45.2Very low33.4Very low104 Ų104135.1 Ų135.168%0.67581%0.807SS**  -149.5-169.673.438.5-16.9000116.7
216Q27.7Very low33.2Very low184 Ų184136.6 Ų136.686%0.8681%0.814SS**  trans87115.1164.1-63.9177.5-11.200119.4
217S29.6Very low32.7Very low112 Ų112132.6 Ų132.678%0.78380%0.801SS**  trans-90.4172.5144.8-58.70000107.9
218P45.4Very low33.1Very low118 Ų118135.1 Ų135.177%0.76680%0.802SS**  cis-129.6-155.619.730.5-2.8000111.7
219E28.8Very low33.3Very low166 Ų166137.3 Ų137.378%0.77680%0.799SS**  cis-145.1160.917.1-73.6-17344.900114.6
220N29.1Very low33.8Very low151 Ų151139 Ų13981%0.80780%0.801SS**  trans60.5150.7154.9-90-5.2000123.5
221P50.3Low34.2Very low107 Ų107137.3 Ų137.370%0.69580%0.801SS**  trans-109.7153.9-179.640.6-31.2000114.2
222L31.9Very low34.9Very low179 Ų179137.6 Ų137.694%0.93780%0.804SS**  trans-137164.4157.8-77.5179.4000110.5
223S29Very low35.4Very low113 Ų113138.2 Ų138.279%0.7980%0.803SS**  trans-117.7165.6-148.4-59.70000115.4
224A31.6Very low35.8Very low95 Ų95135.4 Ų135.479%0.78579%0.794SS**  trans62.9110.514900000119
225T29.1Very low36.5Very low149 Ų149130.1 Ų130.191%0.91478%0.784SS**  trans-96.2134.2138.353.40000108.3
226A31.4Very low36.7Very low97 Ų97128.7 Ų128.780%0.80277%0.771SS**  trans-111.8126.2177.600000109.8
227S29.8Very low37.7Very low103 Ų103125.8 Ų125.872%0.7276%0.759SS**  trans-80.7136176.6-54.70000111T229S227-T229 PolarHBondContact O-N 3.03Å; S227-T229 VanDerWaalsContact O-N 3.08Å
228P38.7Very low38.7Very low135 Ų135124.2 Ų124.288%0.87774%0.741SS**  trans-74.9100.3177.929.8-33.6000110.9
229T39.8Very low39.1Very low128 Ų128121 Ų12179%0.78572%0.718SS**  trans-146.278.5173.7156.70000110.6S227S227-T229 PolarHBondContact O-N 3.03Å; S227-T229 VanDerWaalsContact O-N 3.08Å
230S41.4Very low40.5Very low108 Ų108116 Ų11676%0.75569%0.693SS**  trans-164.4103.4157.8-170.40000110.7
231S38.9Very low41.9Very low121 Ų121117.4 Ų117.485%0.84669%0.687SS**SBendtrans-164.936.4167.3-157.10000111.9
232L45.2Very low42.1Very low155 Ų155120.2 Ų120.281%0.81268%0.684SS**SBendtrans-15120.9-174-124.4178.5000113.6
233Q43.4Very low43.1Very low153 Ų153113.9 Ų113.972%0.71566%0.655SS**SBendtrans-126-0.2-171.6-160.8159.315.900113.7
234D36.6Very low44.3Very low131 Ų131111.2 Ų111.270%0.70163%0.634SS**SBendtrans-85.8-50177.3-158.2-127.2000111D236 M237 D238D234-D236 VanDerWaalsContact C-N 3.27Å; D234-D236 PolarHBondContact O-N 3.16Å; D234-D236 VanDerWaalsContact O-N 3.12Å; D234-M237 VanDerWaalsContact O-CB 3.25Å; D234-M237 WeakPolarHBondContact O-CB 3.47Å; D234-M237 PolarHBondContact O-N 3.35Å; D234-D238 PolarHBondContact O-N 2.86Å
235D42.7Very low45.1Very low124 Ų124113.9 Ų113.966%0.66363%0.634SS**Hα-helixtrans-53.5-35.7-178.3-61.7-101.5000115M237 D238 D239D235-M237 VanDerWaalsContact C-N 3.34Å; D235-D238 PolarHBondContact O-N 3.38Å; D235-D239 PolarHBondContact O-N 2.69Å
236D50.6Low45.8Very low74 Ų74110.6 Ų110.640%0.39661%0.614SS.*Hα-helixtrans-71.3-32-178.3-157.9-107.8000111.9D234 D238 F240 S311D234-D236 VanDerWaalsContact C-N 3.27Å; D234-D236 PolarHBondContact O-N 3.16Å; D234-D236 VanDerWaalsContact O-N 3.12Å; D236-D238 VanDerWaalsContact C-N 3.35Å; D236-F240 PolarHBondContact O-N 2.89Å; D236-S311 VanDerWaalsContact CG-OG 3.24Å; D236-S311 PolarHBondContact OD1-OG 3.49Å; D236-S311 VanDerWaalsContact OD1-OG 3.11Å; D236-S311 WeakPolarHBondContact OD2-CB 3.16Å; D236-S311 PolarHBondContact OD2-OG 3.23Å
237M47.8Very low46.2Very low123 Ų123113.8 Ų113.861%0.60661%0.612SS**Hα-helixtrans-66-38.9177.2-161.281.771.300111D234 D235 R241D234-M237 VanDerWaalsContact O-CB 3.25Å; D234-M237 WeakPolarHBondContact O-CB 3.47Å; D234-M237 PolarHBondContact O-N 3.35Å; D235-M237 VanDerWaalsContact C-N 3.34Å; M237-R241 WeakPolarHBondContact O-CG 3.25Å; M237-R241 PolarHBondContact O-N 3.5Å; M237-R241 VanDerWaalsContact O-N 3.17Å
238D50.4Low46.3Very low78 Ų78114.5 Ų114.542%0.41762%0.617SS.*Hα-helixtrans-73.8-36.1-177.7-134.1-89000112.4D234 D235 D236 R241 R242D234-D238 PolarHBondContact O-N 2.86Å; D235-D238 PolarHBondContact O-N 3.38Å; D236-D238 VanDerWaalsContact C-N 3.35Å; D238-R241 PolarHBondContact O-N 2.76Å; D238-R242 WeakPolarHBondContact O-CD 3.3Å; D238-R242 VanDerWaalsContact O-CG 3.25Å; D238-R242 WeakPolarHBondContact O-CG 3.37Å; D238-R242 PolarHBondContact O-N 2.79Å; D238-R242 IonicContact OD1-CZ 2.64Å; D238-R242 IonicContact OD1-NE 2.65Å; D238-R242 PolarHBondContact OD1-NE 3.16Å; D238-R242 IonicContact OD1-NH2 3.36Å; D238-R242 PolarHBondContact OD1-NH2 2.89Å
239D54.4Low46.9Very low51 Ų51113.1 Ų113.127%0.27361%0.608SS.*Hα-helixtrans-66.6-41.3172.3-166.7-87.4000111.6D235 R241 R242 S243D235-D239 PolarHBondContact O-N 2.69Å; D239-R241 VanDerWaalsContact C-N 3.28Å; D239-R241 PolarHBondContact O-N 3.25Å; D239-R242 CarbonylContact O-C 3.55Å; D239-R242 PolarHBondContact O-N 2.69Å; D239-S243 VanDerWaalsContact O-CB 3.26Å; D239-S243 WeakPolarHBondContact O-CB 3.34Å; D239-S243 PolarHBondContact O-N 3.4Å; D239-S243 PolarHBondContact O-OG 2.85Å; D239-S243 PolarHBondContact OD1-OG 3.29Å
240F58.6Low46.4Very low61 Ų61113.7 Ų113.727%0.26861%0.611SS.*Hα-helixtrans-55-45.4173.4176.3-100.3000111.5D236 R242 S243 V244 Y313 F317D236-F240 PolarHBondContact O-N 2.89Å; F240-R242 VanDerWaalsContact C-N 3.31Å; F240-R242 PolarHBondContact O-N 3.01Å; F240-S243 PolarHBondContact O-N 3.3Å; F240-V244 HydrophobicContact CD2-CG2 3.96Å; F240-V244 HydrophobicContact CE1-CG2 4.3Å; F240-V244 HydrophobicContact CE2-CG2 3.66Å; F240-V244 HydrophobicContact CG-CG2 4.41Å; F240-V244 HydrophobicContact CZ-CG2 3.84Å; F240-V244 WeakPolarHBondContact O-CB 3.12Å; F240-V244 VanDerWaalsContact O-CG2 3.31Å; F240-V244 WeakPolarHBondContact O-CG2 2.97Å; F240-V244 PolarHBondContact O-N 2.87Å; F240-Y313 HydrophobicContact CD2-CD1 4.4Å; F240-Y313 HydrophobicContact CD2-CE1 4.16Å; F240-Y313 HydrophobicContact CE2-CE1 4.02Å; F240-F317 HydrophobicContact CE2-CD2 4.2Å; F240-F317 HydrophobicContact CE2-CE2 4.26Å
241R58.2Low45.8Very low180 Ų180112.9 Ų112.968%0.67961%0.605SS**Hα-helixtrans-62.8-34.7177.1-64.8-83.3-88.1-172.4-8.4112.4M237 D238 D239 L245M237-R241 WeakPolarHBondContact O-CG 3.25Å; M237-R241 PolarHBondContact O-N 3.5Å; M237-R241 VanDerWaalsContact O-N 3.17Å; D238-R241 PolarHBondContact O-N 2.76Å; D239-R241 VanDerWaalsContact C-N 3.28Å; D239-R241 PolarHBondContact O-N 3.25Å; R241-L245 WeakPolarHBondContact O-CD1 3.33Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å
242R54Low45.3Very low167 Ų167115.3 Ų115.363%0.6361%0.608SS**Hα-helixtrans-78.2-39.6177.7-70163.5-171.4-104.1-2.5113D238 D239 F240 V246D238-R242 WeakPolarHBondContact O-CD 3.3Å; D238-R242 VanDerWaalsContact O-CG 3.25Å; D238-R242 WeakPolarHBondContact O-CG 3.37Å; D238-R242 PolarHBondContact O-N 2.79Å; D238-R242 IonicContact OD1-CZ 2.64Å; D238-R242 IonicContact OD1-NE 2.65Å; D238-R242 PolarHBondContact OD1-NE 3.16Å; D238-R242 IonicContact OD1-NH2 3.36Å; D238-R242 PolarHBondContact OD1-NH2 2.89Å; D239-R242 CarbonylContact O-C 3.55Å; D239-R242 PolarHBondContact O-N 2.69Å; F240-R242 VanDerWaalsContact C-N 3.31Å; F240-R242 PolarHBondContact O-N 3.01Å; R242-V246 WeakPolarHBondContact O-CG2 3.46Å
243S53.4Low44.6Very low46 Ų46112.4 Ų112.432%0.32261%0.606SS.*Hα-helixtrans-74.7-37.9-175.3-76.20000112.6D239 F240 L245D239-S243 VanDerWaalsContact O-CB 3.26Å; D239-S243 WeakPolarHBondContact O-CB 3.34Å; D239-S243 PolarHBondContact O-N 3.4Å; D239-S243 PolarHBondContact O-OG 2.85Å; D239-S243 PolarHBondContact OD1-OG 3.29Å; F240-S243 PolarHBondContact O-N 3.3Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact O-N 3.25Å
244V54.6Low43.9Very low57 Ų57111.9 Ų111.935%0.34561%0.613SS.*Hα-helixtrans-68.5-27.2178.6171.80000113F240 V246 F333F240-V244 HydrophobicContact CD2-CG2 3.96Å; F240-V244 HydrophobicContact CE1-CG2 4.3Å; F240-V244 HydrophobicContact CE2-CG2 3.66Å; F240-V244 HydrophobicContact CG-CG2 4.41Å; F240-V244 HydrophobicContact CZ-CG2 3.84Å; F240-V244 WeakPolarHBondContact O-CB 3.12Å; F240-V244 VanDerWaalsContact O-CG2 3.31Å; F240-V244 WeakPolarHBondContact O-CG2 2.97Å; F240-V244 PolarHBondContact O-N 2.87Å; V244-V246 VanDerWaalsContact C-N 3.34Å; V244-V246 PolarHBondContact O-N 3.42Å; V244-F333 HydrophobicContact CG1-CE1 4.24Å; V244-F333 HydrophobicContact CG1-CZ 3.84Å
245L48.5Very low43.7Very low150 Ų150110.9 Ų110.979%0.78562%0.617SS**THydrogen-bonded Turntrans-83.83.1-175.5-71.2176.8000115.4R241 S243R241-L245 WeakPolarHBondContact O-CD1 3.33Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact O-N 3.25Å
246V42.8Very low43.4Very low81 Ų81111.4 Ų111.449%0.49163%0.627SS.*SBendtrans-94.8-32.5-173.1174.70000113.9R242 V244R242-V246 WeakPolarHBondContact O-CG2 3.46Å; V244-V246 VanDerWaalsContact C-N 3.34Å; V244-V246 PolarHBondContact O-N 3.42Å
247E40.6Very low42.4Very low163 Ų163111.5 Ų111.576%0.76265%0.646SS**  trans-114.777.6-161.9-157.272.8-17500113.5
248S32.3Very low41.7Very low118 Ų118112.2 Ų112.283%0.82566%0.657SS**  trans-153.4109.1167-168.80000112.4
249P50.3Low40.8Very low106 Ų106116.5 Ų116.569%0.68868%0.677SS**  trans-105.2139.2-178.836-29.9000113.7
250V30.3Very low39.5Very low140 Ų140119 Ų11985%0.84870%0.699SS**  trans70.4133.3155.8176.40000114.6
251S29Very low38Very low91 Ų91124.5 Ų124.564%0.63673%0.73SS**  cis-155.1162.820.3-142.20000114.7
252L28.1Very low36.5Very low172 Ų172122.8 Ų122.890%0.90174%0.735SS**  trans62.3162.9153-69.6166.1000119.8
253A30.5Very low35.9Very low95 Ų95119.7 Ų119.779%0.78574%0.736SS**  trans-140.7149.6-170.800000111.9
254V27.9Very low34.5Very low141 Ų141122.6 Ų122.686%0.85576%0.756SS**  trans-146.3138.7155.3143.70000106.6
255S32Very low33.1Very low111 Ų111127.1 Ų127.178%0.77678%0.775SS**  trans-102.5149.9170.2-660000109.6
256P37.2Very low32.2Very low134 Ų134125.1 Ų125.187%0.8777%0.774SS**  trans-75.3145.3-167.429.9-36000113.6
257G30.1Very low31.4Very low77 Ų77130 Ų13079%0.79479%0.792SS**  trans-129.1137.9162.300000109
258V33.3Very low30.8Very low138 Ų138127.1 Ų127.184%0.83679%0.79SS**  trans-86148.1-176.5-67.70000112.3
259I31.4Very low31.3Very low167 Ų167126.5 Ų126.586%0.85678%0.782SS**  trans173.9152.7137.5-87.9152.2000108.9
260S25.9Very low30.2Very low103 Ų103128.6 Ų128.672%0.7279%0.786SS**  trans-76.7170.8-164.3-45.60000117.7
261L28.3Very low30.1Very low178 Ų178127 Ų12793%0.93278%0.782SS**  trans98.6147.8156.7-63.7161.2000118.6
262D26.1Very low29.9Very low144 Ų144126.6 Ų126.677%0.7778%0.784SS**  trans-146.2164.9-163.6175.5-101.6000107.5
263P41.7Very low29.8Very low102 Ų102123.7 Ų123.766%0.66278%0.778SS**  cis-112.5170.8-31.734.6-23.3000111.8
264S23.3Very low29.7Very low106 Ų106125.2 Ų125.274%0.74178%0.778SS**  trans-154.4138.9152-172.10000114.1
265M26.8Very low29.7Very low152 Ų152123.4 Ų123.475%0.74977%0.771SS**  trans-73.4159.1-177.739.8-86.4155.600116.2
266S28.2Very low29.4Very low108 Ų108123.1 Ų123.176%0.75577%0.769SS**  trans101.7130.1138.7-77.60000122.8
267E26.6Very low29.1Very low184 Ų184123.1 Ų123.186%0.8677%0.766SS**  trans81.8139.7143-126159.9116.100122.7
268S27.4Very low28.9Very low103 Ų103124.8 Ų124.872%0.7277%0.766SS**  trans-85.1-166.2170.8-530000108.5
269P43.4Very low28.6Very low104 Ų104123.6 Ų123.668%0.67576%0.764SS**  cis-147.6-165.89.934.5-7.8000117.2
270I26.7Very low28.4Very low150 Ų150120.1 Ų120.177%0.76976%0.76SS**  trans68.2124.7151.955.6174.2000123.3
271S27.5Very low28.5Very low108 Ų108122.5 Ų122.576%0.75577%0.77SS**  91.7101.6129.6-71.20000122.4
272A26.3Very low28.6Very low82 Ų82117.4 Ų117.468%0.67876%0.76SS**  74.6104.5112.300000121.4
273S25.8Very low29Very low111 Ų111122.5 Ų122.578%0.77677%0.769SS**  82.5164.9123.5-58.70000120.8
274T27.4Very low28.4Very low127 Ų127127.8 Ų127.878%0.77978%0.781SS**  trans7972.7168.763.10000119.5
275S27.5Very low28.5Very low103 Ų103126.1 Ų126.172%0.7278%0.78SS**  47.3131.5114.165.40000122.6
276S27Very low28.5Very low105 Ų105124 Ų12473%0.73479%0.787SS**  106.6166.9128.3830000120.5
277V29.9Very low28.5Very low134 Ų134124 Ų12481%0.81279%0.794SS**  trans62.899.4171.9-60.90000119.7
278S26.2Very low28.6Very low112 Ų112120.6 Ų120.678%0.78380%0.797SS**  trans-63.6153.6155.3-32.80000111.8
279S26.8Very low28.5Very low113 Ų113119.4 Ų119.479%0.7980%0.801SS**  168.8128.8111.5-75.70000116.4
280A26.8Very low27.8Very low93 Ų93118.7 Ų118.777%0.76981%0.812SS**  trans68.9165.3134.800000122.3
281V29.2Very low27.9Very low154 Ų154115.6 Ų115.693%0.93382%0.818SS**  trans72.6130.8177.9-170.60000114.5
282G31Very low28.2Very low71 Ų71114.2 Ų114.273%0.73282%0.821SS**  cis-155.7-178.55.400000114.9
283R32.8Very low28.7Very low251 Ų251114.1 Ų114.195%0.94783%0.827SS**  trans-98.6154.3-176-69.6167.8153.2-175.8-7.8112.3
284K29.5Very low29.1Very low213 Ų213112.4 Ų112.493%0.92683%0.828SS**  132.5133.7121-169.1-180-179.1-174.10115.6
285G26.3Very low30.2Very low70 Ų70116.2 Ų116.272%0.72283%0.833SS**  trans90.5115.5168.800000113.5
286A27.3Very low31.1Very low108 Ų108121 Ų12189%0.89384%0.841SS**  cis95.295.117.500000116.4
287A27.2Very low31.9Very low109 Ų109119.4 Ų119.490%0.90184%0.841SS**  trans-159.9162.315300000109.5
288A27.8Very low32.9Very low111 Ų111123.2 Ų123.292%0.91784%0.841SS**  trans-93.3163.6-163.700000116
289G26.9Very low34Very low78 Ų78127.2 Ų127.280%0.80484%0.844SS**  trans145.7127.4155.700000116.3
290G28.6Very low35Very low89 Ų89130.9 Ų130.992%0.91885%0.846SS**  trans91.6133.5167.300000115.8
291G29.2Very low36.2Very low86 Ų86133.1 Ų133.189%0.88784%0.838SS**  trans-117.6162.1-179.500000113.6
292G32.3Very low36.9Very low79 Ų79130.7 Ų130.781%0.81482%0.82SS**  trans178.8109.3175.300000115.3
293G36.9Very low38.7Very low79 Ų79133.6 Ų133.681%0.81483%0.826SS**  trans52.769.2151.300000118.6K295G293-K295 PolarHBondContact O-N 3.1Å
294G35.3Very low40Very low76 Ų76127.4 Ų127.478%0.78481%0.812SS**  trans-64.5103.6174.300000113.5K296G294-K296 PolarHBondContact O-N 3.02Å
295K48.9Very low41.8Very low207 Ų207120.4 Ų120.490%0.978%0.782SS**  trans-61.797163.8-74.6-175.7178.7178.70108.8G293 G297G293-K295 PolarHBondContact O-N 3.1Å; K295-G297 PolarHBondContact O-N 3.05Å
296K47.3Very low43.8Very low204 Ų204118.4 Ų118.489%0.88776%0.757SS**  trans-52.1108.2170.7-76.2-178.3178.8175.30108.1G294 R298G294-K296 PolarHBondContact O-N 3.02Å; K296-R298 PolarHBondContact O-N 2.99Å; K296-R298 VanDerWaalsContact O-N 3.13Å
297G42.9Very low46.1Very low71 Ų71121 Ų12173%0.73275%0.751SS**  trans-56.5121.8177.400000108.6K295 K299K295-G297 PolarHBondContact O-N 3.05Å; G297-K299 PolarHBondContact O-N 3.41Å
298R51.8Low48.5Very low213 Ų213122.9 Ų122.980%0.80474%0.738SS**  trans-59.4107.9172.6-76-172.2174.4-1650106.6K296 K300K296-R298 PolarHBondContact O-N 2.99Å; K296-R298 VanDerWaalsContact O-N 3.13Å; R298-K300 PolarHBondContact O-N 3.4Å
299K48.7Very low51Low196 Ų196119.3 Ų119.385%0.85271%0.705SS**  trans-45.5135.2161-86.5-176.3170.8-176.80106.3G297 K301G297-K299 PolarHBondContact O-N 3.41Å; K299-K301 PolarHBondContact O-N 2.62Å
300K49.3Very low53.5Low191 Ų191116.8 Ų116.883%0.8368%0.675SS**  trans-52.5112170.9-70.2179.4177.1-179.50106.3R298 D302R298-K300 PolarHBondContact O-N 3.4Å; K300-D302 PolarHBondContact O-N 3.32Å
301K50.9Low56.3Low140 Ų140113.3 Ų113.361%0.60964%0.636SS**  trans-54.2125.6174.8178.960.9166.9167.80106K299 P303 E305K299-K301 PolarHBondContact O-N 2.62Å; K301-P303 WeakPolarHBondContact O-CD 3.33Å; K301-P303 VanDerWaalsContact O-N 3.12Å; K301-E305 VanDerWaalsContact CE-CD 3.49Å; K301-E305 VanDerWaalsContact CE-OE1 3.25Å; K301-E305 WeakPolarHBondContact CE-OE1 3.33Å; K301-E305 WeakPolarHBondContact CE-OE2 3.45Å; K301-E305 IonicContact NZ-OE1 2.68Å; K301-E305 PolarHBondContact NZ-OE1 3.42Å; K301-E305 IonicContact NZ-OE2 3.01Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å
302D44.9Very low59.1Low102 Ų102109.9 Ų109.955%0.54560%0.6SS.*  trans-52.3118.8-164.7-61.3-90.7000110.1K300 N304 E305K300-D302 PolarHBondContact O-N 3.32Å; D302-N304 PolarHBondContact O-N 3.13Å; D302-E305 PolarHBondContact O-N 2.92Å
303P68.1Low61.6Low132 Ų132108.4 Ų108.486%0.85757%0.57SS**THydrogen-bonded Turntrans-63.85.7-168.6-26.635.7000116.5K301K301-P303 WeakPolarHBondContact O-CD 3.33Å; K301-P303 VanDerWaalsContact O-N 3.12Å
304N59.3Low64.1Low121 Ų121105.1 Ų105.165%0.64754%0.535SS*.THydrogen-bonded Turntrans-120.7-2.7-178.2-157.636.8000112.7D302 Y373D302-N304 PolarHBondContact O-N 3.13Å; N304-Y373 HydrophobicContact CB-CE2 4.39Å; N304-Y373 VanDerWaalsContact O-CD2 3.31Å; N304-Y373 WeakPolarHBondContact O-CD2 3.23Å; N304-Y373 VanDerWaalsContact O-CE2 3.23Å; N304-Y373 WeakPolarHBondContact O-CE2 3.27Å
305E68.4Low66.5Low66 Ų66103.4 Ų103.431%0.30851%0.508SS..SBendtrans-78.7126.3166.7-170.5-176.9134.800108.4K301 D302 Q307 Y373K301-E305 VanDerWaalsContact CE-CD 3.49Å; K301-E305 VanDerWaalsContact CE-OE1 3.25Å; K301-E305 WeakPolarHBondContact CE-OE1 3.33Å; K301-E305 WeakPolarHBondContact CE-OE2 3.45Å; K301-E305 IonicContact NZ-OE1 2.68Å; K301-E305 PolarHBondContact NZ-OE1 3.42Å; K301-E305 IonicContact NZ-OE2 3.01Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å; D302-E305 PolarHBondContact O-N 2.92Å; E305-Q307 PolarHBondContact O-N 3.02Å; E305-Y373 HydrophobicContact CB-CE1 4.36Å; E305-Y373 HydrophobicContact CG-CE1 4.25Å
306P68.1Low68.5Low29 Ų2993.7 Ų93.719%0.18847%0.465CS..PPolyproline II helixtrans-59135.8179.323.8-33.1000110.4Y366 A369 L370P306-Y366 HydrophobicContact CB-CD2 4.1Å; P306-Y366 HydrophobicContact CB-CE2 4.26Å; P306-Y366 HydrophobicContact CG-CD2 4.48Å; P306-Y366 HydrophobicContact CG-CE2 4.29Å; P306-Y366 WeakPolarHBondContact O-CE2 3.29Å; P306-A369 HydrophobicContact CB-CB 3.99Å; P306-A369 HydrophobicContact CG-CB 4.34Å; P306-L370 HydrophobicContact CG-CB 4.28Å; P306-L370 HydrophobicContact CG-CD1 4.05Å
307Q74.9Confident70.5Confident163 Ų16384.5 Ų84.576%0.76243%0.425SS*.PPolyproline II helixtrans-77135.6178.8-175.5163.577.300110E305 Y366E305-Q307 PolarHBondContact O-N 3.02Å; Q307-Y366 WeakPolarHBondContact O-CD2 3.43Å
308K78.3Confident72.7Confident148 Ų14888 Ų8864%0.64342%0.416SS*.PPolyproline II helixtrans-52.3143175.8-75.5-171.2174.8-168.70111.1V310 Y366K308-V310 PolarHBondContact O-N 3.04Å; K308-Y366 HydrophobicContact CB-CE2 4.49Å; K308-Y366 HydrophobicContact CG-CE2 4.14Å
309P79.4Confident74.5Confident35 Ų3581.9 Ų81.923%0.22740%0.4CS..PPolyproline II helixtrans-65.1124.9176.631.4-37.7000109.2A362 K363 Y366P309-A362 HydrophobicContact CB-CB 4.17Å; P309-K363 HydrophobicContact CB-CB 4.34Å; P309-K363 HydrophobicContact CG-CB 3.96Å; P309-K363 HydrophobicContact CG-CG 4.22Å; P309-Y366 HydrophobicContact CG-CG 4.48Å
310V80.4Confident76.5Confident26 Ų2672.9 Ų72.916%0.15836%0.361CS..PPolyproline II helixtrans-70145.3169.9-76.60000110.2K308 A314 L315 N359K308-V310 PolarHBondContact O-N 3.04Å; V310-A314 HydrophobicContact CB-CB 3.96Å; V310-L315 HydrophobicContact CG2-CD2 3.59Å; V310-L315 HydrophobicContact CG2-CG 3.92Å; V310-N359 PolarHBondContact O-ND2 3.34Å
311S87.1Confident78.5Confident15 Ų1566.1 Ų66.111%0.10533%0.332CS..PPolyproline II helixtrans-48.8157.4179.8171.30000113.9D236 Y313 A314 L315 N359D236-S311 VanDerWaalsContact CG-OG 3.24Å; D236-S311 PolarHBondContact OD1-OG 3.49Å; D236-S311 VanDerWaalsContact OD1-OG 3.11Å; D236-S311 WeakPolarHBondContact OD2-CB 3.16Å; D236-S311 PolarHBondContact OD2-OG 3.23Å; S311-Y313 VanDerWaalsContact C-N 3.27Å; S311-Y313 PolarHBondContact O-N 3.31Å; S311-Y313 PolarHBondContact OG-N 2.8Å; S311-A314 CarbonylContact O-C 3.4Å; S311-A314 PolarHBondContact O-N 3.2Å; S311-L315 WeakPolarHBondContact O-CG 3.36Å; S311-L315 PolarHBondContact O-N 3.46Å; S311-N359 WeakPolarHBondContact CA-ND2 3.38Å
312A87.6Confident80.3Confident15 Ų1562.6 Ų62.612%0.12433%0.329CS..Hα-helixtrans-54-42173.300000112.6F316 N359A312-F316 PolarHBondContact O-N 3.1Å; A312-N359 HydrophobicContact CB-CB 3.82Å; A312-N359 PolarHBondContact N-ND2 3.48Å
313Y85.4Confident82.5Confident48 Ų4860.2 Ų60.219%0.18832%0.324CS..Hα-helixtrans-69.8-39.7174176.5-119.8000111.5F240 S311 L315 F316 F317 W344F240-Y313 HydrophobicContact CD2-CD1 4.4Å; F240-Y313 HydrophobicContact CD2-CE1 4.16Å; F240-Y313 HydrophobicContact CE2-CE1 4.02Å; S311-Y313 VanDerWaalsContact C-N 3.27Å; S311-Y313 PolarHBondContact O-N 3.31Å; S311-Y313 PolarHBondContact OG-N 2.8Å; Y313-L315 PolarHBondContact O-N 2.93Å; Y313-F316 HydrophobicContact CD2-CD1 4.46Å; Y313-F316 HydrophobicContact CE2-CD1 4.49Å; Y313-F316 PolarHBondContact O-N 3.39Å; Y313-F317 HydrophobicContact CE1-CD2 4.42Å; Y313-F317 VanDerWaalsContact O-CB 3.29Å; Y313-F317 WeakPolarHBondContact O-CB 3.25Å; Y313-F317 PolarHBondContact O-N 2.76Å; Y313-W344 HydrophobicContact CD2-CB 4.09Å; Y313-W344 AromaticContact CD2-CD1 3.76Å; Y313-W344 AromaticContact CD2-CD2 3.66Å; Y313-W344 HydrophobicContact CD2-CD2 3.66Å; Y313-W344 AromaticContact CD2-CE2 3.86Å; Y313-W344 HydrophobicContact CD2-CE3 4.26Å; Y313-W344 AromaticContact CD2-CG 3.58Å; Y313-W344 HydrophobicContact CD2-CG 3.58Å; Y313-W344 AromaticContact CD2-NE1 3.91Å; Y313-W344 HydrophobicContact CE2-CB 3.79Å; Y313-W344 AromaticContact CE2-CD1 4Å; Y313-W344 HydrophobicContact CE2-CD2 4.3Å; Y313-W344 AromaticContact CE2-CG 3.76Å; Y313-W344 HydrophobicContact CE2-CG 3.76Å
314A88.3Confident83.5Confident10 Ų1054.7 Ų54.78%0.08329%0.287CS..Hα-helixtrans-67.4-32.7178.400000113.5V310 S311 F317 R318V310-A314 HydrophobicContact CB-CB 3.96Å; S311-A314 CarbonylContact O-C 3.4Å; S311-A314 PolarHBondContact O-N 3.2Å; A314-F317 PolarHBondContact O-N 2.86Å; A314-R318 WeakPolarHBondContact O-CG 3.43Å; A314-R318 PolarHBondContact O-N 3.07Å
315L87.1Confident84.9Confident40 Ų4054.7 Ų54.721%0.20928%0.281CS..Hα-helixtrans-61.5-55169.1-75.4171000110.5V310 S311 Y313 F317 R318 D319 K358 N359V310-L315 HydrophobicContact CG2-CD2 3.59Å; V310-L315 HydrophobicContact CG2-CG 3.92Å; S311-L315 WeakPolarHBondContact O-CG 3.36Å; S311-L315 PolarHBondContact O-N 3.46Å; Y313-L315 PolarHBondContact O-N 2.93Å; L315-F317 PolarHBondContact O-N 3.29Å; L315-R318 PolarHBondContact O-N 3.3Å; L315-R318 VanDerWaalsContact O-N 3.16Å; L315-D319 PolarHBondContact O-N 3.39Å; L315-K358 HydrophobicContact CD1-CB 4.39Å; L315-N359 HydrophobicContact CD1-CB 4.04Å
316F89.4Confident85.9Confident3 Ų354.7 Ų54.71%0.01330%0.299CS..Hα-helixtrans-58-38.1176.8174.2-96.8000112.3A312 Y313 T320 V340 M343 W344 L347 Y355A312-F316 PolarHBondContact O-N 3.1Å; Y313-F316 HydrophobicContact CD2-CD1 4.46Å; Y313-F316 HydrophobicContact CE2-CD1 4.49Å; Y313-F316 PolarHBondContact O-N 3.39Å; F316-T320 VanDerWaalsContact CE2-OG1 3.28Å; F316-T320 WeakPolarHBondContact CE2-OG1 3.35Å; F316-T320 HydrophobicContact CZ-CG2 4.31Å; F316-T320 WeakPolarHBondContact CZ-OG1 3.29Å; F316-T320 WeakPolarHBondContact O-CB 3.28Å; F316-T320 PolarHBondContact O-N 3.42Å; F316-T320 PolarHBondContact O-OG1 3Å; F316-V340 HydrophobicContact CD1-CG1 4.17Å; F316-V340 HydrophobicContact CE1-CG1 3.99Å; F316-M343 HydrophobicContact CE2-CE 3.85Å; F316-M343 HydrophobicContact CZ-CB 4.15Å; F316-M343 HydrophobicContact CZ-CE 3.68Å; F316-M343 HydrophobicContact CZ-CG 4.03Å; F316-W344 HydrophobicContact CB-CE3 3.76Å; F316-W344 HydrophobicContact CB-CZ3 3.66Å; F316-W344 HydrophobicContact CD1-CB 3.94Å; F316-W344 HydrophobicContact CD1-CD2 4.15Å; F316-W344 AromaticContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CE3 3.46Å; F316-W344 VanDerWaalsContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CG 4.39Å; F316-W344 HydrophobicContact CD1-CZ3 4.26Å; F316-W344 HydrophobicContact CD2-CE3 4.02Å; F316-W344 HydrophobicContact CD2-CZ3 4.3Å; F316-W344 HydrophobicContact CE1-CB 3.59Å; F316-W344 HydrophobicContact CE1-CE3 4Å; F316-W344 HydrophobicContact CE1-CG 4.45Å; F316-W344 HydrophobicContact CE2-CE3 4.49Å; F316-W344 AromaticContact CG-CE3 3.45Å; F316-W344 HydrophobicContact CG-CE3 3.45Å; F316-W344 VanDerWaalsContact CG-CE3 3.45Å; F316-W344 AromaticContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CZ-CB 4.39Å; F316-W344 HydrophobicContact CZ-CE3 4.46Å; F316-L347 HydrophobicContact CD2-CD1 3.97Å; F316-L347 HydrophobicContact CE2-CD1 3.67Å; F316-L347 HydrophobicContact CE2-CD2 4.42Å; F316-L347 HydrophobicContact CE2-CG 4.22Å; F316-L347 HydrophobicContact CZ-CD1 4.17Å; F316-L347 HydrophobicContact CZ-CG 4.37Å; F316-Y355 HydrophobicContact CB-CD1 4.07Å; F316-Y355 HydrophobicContact CB-CE1 4.18Å; F316-Y355 HydrophobicContact CB-CG 4.26Å; F316-Y355 HydrophobicContact CD2-CD2 4.16Å; F316-Y355 HydrophobicContact CD2-CE1 4.33Å; F316-Y355 AromaticContact CD2-CE2 3.69Å; F316-Y355 HydrophobicContact CD2-CE2 3.69Å; F316-Y355 AromaticContact CD2-CZ 3.8Å; F316-Y355 HydrophobicContact CE2-CE2 4.41Å
317F90.1Very high86.8Confident10 Ų1060.4 Ų60.44%0.04432%0.323CS..Hα-helixtrans-63.1-46.4177.1-171.6-78.1000110.8F240 Y313 A314 L315 Q321 F333 V340F240-F317 HydrophobicContact CE2-CD2 4.2Å; F240-F317 HydrophobicContact CE2-CE2 4.26Å; Y313-F317 HydrophobicContact CE1-CD2 4.42Å; Y313-F317 VanDerWaalsContact O-CB 3.29Å; Y313-F317 WeakPolarHBondContact O-CB 3.25Å; Y313-F317 PolarHBondContact O-N 2.76Å; A314-F317 PolarHBondContact O-N 2.86Å; L315-F317 PolarHBondContact O-N 3.29Å; F317-Q321 HydrophobicContact CD1-CB 4.27Å; F317-Q321 HydrophobicContact CE1-CB 4.21Å; F317-Q321 HydrophobicContact CE1-CG 4.29Å; F317-Q321 WeakPolarHBondContact O-CA 3.46Å; F317-Q321 WeakPolarHBondContact O-CB 3.41Å; F317-Q321 PolarHBondContact O-N 3.29Å; F317-F333 HydrophobicContact CE1-CE2 4.02Å; F317-F333 HydrophobicContact CE1-CZ 4.25Å; F317-F333 AromaticContact CZ-CE2 3.92Å; F317-F333 HydrophobicContact CZ-CE2 3.92Å; F317-F333 AromaticContact CZ-CZ 3.87Å; F317-F333 HydrophobicContact CZ-CZ 3.87Å; F317-V340 HydrophobicContact CB-CG1 4.12Å; F317-V340 HydrophobicContact CD2-CB 4.11Å; F317-V340 HydrophobicContact CD2-CG1 3.42Å; F317-V340 VanDerWaalsContact CD2-CG1 3.42Å; F317-V340 HydrophobicContact CE2-CB 4.23Å; F317-V340 HydrophobicContact CE2-CG1 4.04Å; F317-V340 HydrophobicContact CG-CG1 3.96Å
318R90Very high87.2Confident145 Ų14556.6 Ų56.655%0.54731%0.308SS..Hα-helixtrans-64.6-46.5177.9-70.6-179.675.6145.56.9112.1A314 L315 A322A314-R318 WeakPolarHBondContact O-CG 3.43Å; A314-R318 PolarHBondContact O-N 3.07Å; L315-R318 PolarHBondContact O-N 3.3Å; L315-R318 VanDerWaalsContact O-N 3.16Å; R318-A322 VanDerWaalsContact O-CB 3.3Å; R318-A322 WeakPolarHBondContact O-CB 3.31Å; R318-A322 PolarHBondContact O-N 2.98Å
319D89.7Confident87.5Confident85 Ų8554 Ų5446%0.45531%0.306SS..Hα-helixtrans-59.9-48.2178.1-71.8-8.6000111L315 A323L315-D319 PolarHBondContact O-N 3.39Å; D319-A323 PolarHBondContact O-N 3.23Å; D319-A323 VanDerWaalsContact O-N 3.12Å
320T89.6Confident87.8Confident7 Ų759.8 Ų59.84%0.04334%0.335CS..Hα-helixtrans-76.2-38.4-175.7-52.70000112.4F316 A322 A323 I324 V340 M343F316-T320 VanDerWaalsContact CE2-OG1 3.28Å; F316-T320 WeakPolarHBondContact CE2-OG1 3.35Å; F316-T320 HydrophobicContact CZ-CG2 4.31Å; F316-T320 WeakPolarHBondContact CZ-OG1 3.29Å; F316-T320 WeakPolarHBondContact O-CB 3.28Å; F316-T320 PolarHBondContact O-N 3.42Å; F316-T320 PolarHBondContact O-OG1 3Å; T320-A322 VanDerWaalsContact C-N 3.31Å; T320-A322 PolarHBondContact O-N 3.19Å; T320-A323 PolarHBondContact O-N 2.9Å; T320-I324 HydrophobicContact CG2-CD1 3.71Å; T320-I324 HydrophobicContact CG2-CG1 4.25Å; T320-I324 WeakPolarHBondContact O-CG1 3.37Å; T320-I324 PolarHBondContact O-N 3.03Å; T320-V340 HydrophobicContact CG2-CG2 3.85Å; T320-M343 HydrophobicContact CG2-CE 3.46Å; T320-M343 VanDerWaalsContact CG2-CE 3.46Å; T320-M343 HydrophobicContact CG2-SD 3.71Å
321Q90.8Very high88Confident48 Ų4859.9 Ų59.922%0.22434%0.338CS..Hα-helixtrans-61.2-41.3173.3-175.2-163.2900110.7F317 K325 V336F317-Q321 HydrophobicContact CD1-CB 4.27Å; F317-Q321 HydrophobicContact CE1-CB 4.21Å; F317-Q321 HydrophobicContact CE1-CG 4.29Å; F317-Q321 WeakPolarHBondContact O-CA 3.46Å; F317-Q321 WeakPolarHBondContact O-CB 3.41Å; F317-Q321 PolarHBondContact O-N 3.29Å; Q321-K325 WeakPolarHBondContact O-CB 3.43Å; Q321-K325 PolarHBondContact O-N 3.36Å; Q321-V336 HydrophobicContact CB-CG1 4.23Å; Q321-V336 HydrophobicContact CG-CG1 3.84Å
322A89.7Confident88.2Confident66 Ų6662.9 Ų62.955%0.54536%0.357SS..Hα-helixtrans-62.6-44.9175.400000111.6R318 T320 G326R318-A322 VanDerWaalsContact O-CB 3.3Å; R318-A322 WeakPolarHBondContact O-CB 3.31Å; R318-A322 PolarHBondContact O-N 2.98Å; T320-A322 VanDerWaalsContact C-N 3.31Å; T320-A322 PolarHBondContact O-N 3.19Å; A322-G326 PolarHBondContact O-N 3.17Å
323A91.1Very high88.2Confident52 Ų5267 Ų6743%0.4337%0.372SS..Hα-helixtrans-61.9-51.1176.300000112.7D319 T320 G326 Q327D319-A323 PolarHBondContact O-N 3.23Å; D319-A323 VanDerWaalsContact O-N 3.12Å; T320-A323 PolarHBondContact O-N 2.9Å; A323-G326 PolarHBondContact O-N 2.9Å; A323-Q327 WeakPolarHBondContact O-CG 3.4Å; A323-Q327 PolarHBondContact O-N 3.49Å
324I89.3Confident88.5Confident16 Ų1666.6 Ų66.68%0.08238%0.382CS..Hα-helixtrans-65.8-42.3-178.6-64.1167.8000111T320 G326 Q327 N328 V336 I339 V340T320-I324 HydrophobicContact CG2-CD1 3.71Å; T320-I324 HydrophobicContact CG2-CG1 4.25Å; T320-I324 WeakPolarHBondContact O-CG1 3.37Å; T320-I324 PolarHBondContact O-N 3.03Å; I324-G326 VanDerWaalsContact C-N 3.32Å; I324-G326 PolarHBondContact O-N 2.9Å; I324-Q327 PolarHBondContact O-N 3.14Å; I324-N328 WeakPolarHBondContact O-CB 3.48Å; I324-N328 PolarHBondContact O-N 2.96Å; I324-V336 HydrophobicContact CB-CG1 4.04Å; I324-V336 HydrophobicContact CD1-CG1 4.34Å; I324-V336 HydrophobicContact CG2-CB 4.4Å; I324-V336 HydrophobicContact CG2-CG1 3.99Å; I324-V336 HydrophobicContact CG2-CG2 3.88Å; I324-I339 HydrophobicContact CD1-CB 4.01Å; I324-I339 HydrophobicContact CD1-CG2 3.55Å; I324-V340 HydrophobicContact CD1-CG2 3.89Å
325K88.8Confident88.6Confident122 Ų12270.9 Ų70.953%0.5340%0.401SS..Hα-helixtrans-70.3-28.4178.3-169.6173.1-177.9178.90112.5Q321 N328 P329Q321-K325 WeakPolarHBondContact O-CB 3.43Å; Q321-K325 PolarHBondContact O-N 3.36Å; K325-N328 CarbonylContact O-C 3.58Å; K325-P329 WeakPolarHBondContact O-CA 3.29Å
326G88.6Confident88.7Confident65 Ų6569.1 Ų69.167%0.6739%0.392SS*.Hα-helixtrans-67.4-37.5169.800000112.9A322 A323 I324A322-G326 PolarHBondContact O-N 3.17Å; A323-G326 PolarHBondContact O-N 2.9Å; I324-G326 VanDerWaalsContact C-N 3.32Å; I324-G326 PolarHBondContact O-N 2.9Å
327Q87.5Confident88.8Confident149 Ų14970.2 Ų70.270%0.69640%0.399SS*.Hα-helixtrans-78.3-34175.3-67.5175.712.300112.9A323 I324A323-Q327 WeakPolarHBondContact O-CG 3.4Å; A323-Q327 PolarHBondContact O-N 3.49Å; I324-Q327 PolarHBondContact O-N 3.14Å
328N82.1Confident89Confident83 Ų8377.3 Ų77.344%0.44443%0.43SS..  trans-131.174.4-174.3-60.6-86.9000110.4I324 K325 N330 A331I324-N328 WeakPolarHBondContact O-CB 3.48Å; I324-N328 PolarHBondContact O-N 2.96Å; K325-N328 CarbonylContact O-C 3.58Å; N328-N330 PolarHBondContact O-N 3.34Å; N328-N330 VanDerWaalsContact O-N 3.12Å; N328-A331 HydrophobicContact CB-CB 3.78Å; N328-A331 WeakPolarHBondContact O-CB 3.29Å; N328-A331 PolarHBondContact O-N 3.07Å
329P85.3Confident89Confident93 Ų9374.6 Ų74.660%0.60443%0.426SS*.THydrogen-bonded Turntrans-64.3-18.3-177.925.4-35.1000113.8K325K325-P329 WeakPolarHBondContact O-CA 3.29Å
330N86.1Confident89.1Confident157 Ų15770.6 Ų70.684%0.8440%0.404SS*.THydrogen-bonded Turntrans-90.8-7.7176.2-61.9-41.4000113.9N328N328-N330 PolarHBondContact O-N 3.34Å; N328-N330 VanDerWaalsContact O-N 3.12Å
331A85.3Confident89.3Confident28 Ų2871.8 Ų71.823%0.23142%0.415CS..SBendtrans-71.2136.4179.400000110.8N328 V336N328-A331 HydrophobicContact CB-CB 3.78Å; N328-A331 WeakPolarHBondContact O-CB 3.29Å; N328-A331 PolarHBondContact O-N 3.07Å; A331-V336 HydrophobicContact CB-CG2 3.89Å
332T90.9Very high89.4Confident79 Ų7973.2 Ų73.249%0.48543%0.43SS..  trans-71.4153.417969.30000111G334 E335 V336T332-G334 PolarHBondContact O-N 3.38Å; T332-G334 VanDerWaalsContact O-N 3.15Å; T332-E335 VanDerWaalsContact CB-OE2 3.25Å; T332-E335 WeakPolarHBondContact CB-OE2 3.43Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.49Å; T332-E335 PolarHBondContact N-OE2 2.79Å; T332-E335 PolarHBondContact O-N 3.18Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.27Å; T332-E335 WeakPolarHBondContact OG1-CG 3.37Å; T332-E335 PolarHBondContact OG1-N 3.41Å; T332-E335 PolarHBondContact OG1-OE2 2.9Å; T332-V336 WeakPolarHBondContact O-CG2 3.23Å; T332-V336 PolarHBondContact O-N 2.78Å
333F86.6Confident89.4Confident100 Ų10073.8 Ų73.844%0.43942%0.423SS..Hα-helixtrans-55.8-33.1176178.1-97.6000112.6V244 F317 S337V244-F333 HydrophobicContact CG1-CE1 4.24Å; V244-F333 HydrophobicContact CG1-CZ 3.84Å; F317-F333 HydrophobicContact CE1-CE2 4.02Å; F317-F333 HydrophobicContact CE1-CZ 4.25Å; F317-F333 AromaticContact CZ-CE2 3.92Å; F317-F333 HydrophobicContact CZ-CE2 3.92Å; F317-F333 AromaticContact CZ-CZ 3.87Å; F317-F333 HydrophobicContact CZ-CZ 3.87Å; F333-S337 WeakPolarHBondContact CE1-OG 3.26Å; F333-S337 WeakPolarHBondContact CZ-OG 3.47Å; F333-S337 VanDerWaalsContact O-CB 3.27Å; F333-S337 WeakPolarHBondContact O-CB 3.43Å; F333-S337 PolarHBondContact O-N 3.47Å; F333-S337 PolarHBondContact O-OG 3.25Å
334G91.9Very high89.3Confident40 Ų4073.5 Ų73.541%0.41241%0.411SS..Hα-helixtrans-69.2-36.8177.700000113.6T332 K338T332-G334 PolarHBondContact O-N 3.38Å; T332-G334 VanDerWaalsContact O-N 3.15Å; G334-K338 WeakPolarHBondContact O-CG 3.4Å; G334-K338 PolarHBondContact O-N 2.9Å
335E90.6Very high89.4Confident100 Ų10078.3 Ų78.347%0.46744%0.436SS..Hα-helixtrans-70.5-48174.2-68.6157.8132.500110.7T332 S337 K338 I339T332-E335 VanDerWaalsContact CB-OE2 3.25Å; T332-E335 WeakPolarHBondContact CB-OE2 3.43Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.49Å; T332-E335 PolarHBondContact N-OE2 2.79Å; T332-E335 PolarHBondContact O-N 3.18Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.27Å; T332-E335 WeakPolarHBondContact OG1-CG 3.37Å; T332-E335 PolarHBondContact OG1-N 3.41Å; T332-E335 PolarHBondContact OG1-OE2 2.9Å; E335-S337 VanDerWaalsContact C-N 3.3Å; E335-S337 PolarHBondContact O-N 3.24Å; E335-K338 PolarHBondContact O-N 3.44Å; E335-K338 VanDerWaalsContact O-N 3.16Å; E335-I339 WeakPolarHBondContact O-CG1 3.48Å; E335-I339 PolarHBondContact O-N 3.36Å
336V90.2Very high89.6Confident4 Ų477 Ų772%0.02444%0.442CS..Hα-helixtrans-57.8-44176.6-179.50000110.7Q321 I324 A331 T332 K338 I339 V340Q321-V336 HydrophobicContact CB-CG1 4.23Å; Q321-V336 HydrophobicContact CG-CG1 3.84Å; I324-V336 HydrophobicContact CB-CG1 4.04Å; I324-V336 HydrophobicContact CD1-CG1 4.34Å; I324-V336 HydrophobicContact CG2-CB 4.4Å; I324-V336 HydrophobicContact CG2-CG1 3.99Å; I324-V336 HydrophobicContact CG2-CG2 3.88Å; A331-V336 HydrophobicContact CB-CG2 3.89Å; T332-V336 WeakPolarHBondContact O-CG2 3.23Å; T332-V336 PolarHBondContact O-N 2.78Å; V336-K338 VanDerWaalsContact C-N 3.34Å; V336-K338 PolarHBondContact O-N 3.24Å; V336-I339 PolarHBondContact O-N 2.92Å; V336-V340 HydrophobicContact CG1-CG2 4.12Å; V336-V340 VanDerWaalsContact O-CG2 3.23Å; V336-V340 WeakPolarHBondContact O-CG2 3.45Å; V336-V340 PolarHBondContact O-N 2.91Å
337S91.7Very high89.7Confident25 Ų2575.4 Ų75.418%0.17542%0.419CS..Hα-helixtrans-60.6-39.6178.1-60.70000113F333 E335 A341F333-S337 WeakPolarHBondContact CE1-OG 3.26Å; F333-S337 WeakPolarHBondContact CZ-OG 3.47Å; F333-S337 VanDerWaalsContact O-CB 3.27Å; F333-S337 WeakPolarHBondContact O-CB 3.43Å; F333-S337 PolarHBondContact O-N 3.47Å; F333-S337 PolarHBondContact O-OG 3.25Å; E335-S337 VanDerWaalsContact C-N 3.3Å; E335-S337 PolarHBondContact O-N 3.24Å; S337-A341 WeakPolarHBondContact O-CB 3.31Å; S337-A341 PolarHBondContact O-N 3.33Å
338K93.1Very high89.9Confident160 Ų16070 Ų7070%0.69640%0.403SS*.Hα-helixtrans-67-41.2176.3-72.6171.1-179-178.70112G334 E335 V336 S342G334-K338 WeakPolarHBondContact O-CG 3.4Å; G334-K338 PolarHBondContact O-N 2.9Å; E335-K338 PolarHBondContact O-N 3.44Å; E335-K338 VanDerWaalsContact O-N 3.16Å; V336-K338 VanDerWaalsContact C-N 3.34Å; V336-K338 PolarHBondContact O-N 3.24Å; K338-S342 WeakPolarHBondContact O-CB 3.37Å; K338-S342 PolarHBondContact O-N 2.83Å
339I90.1Very high90.1Very high88 Ų8871.4 Ų71.445%0.45141%0.406SS..Hα-helixtrans-65.9-43.8176.9-60.3161.3000110I324 E335 V336 S342 M343I324-I339 HydrophobicContact CD1-CB 4.01Å; I324-I339 HydrophobicContact CD1-CG2 3.55Å; E335-I339 WeakPolarHBondContact O-CG1 3.48Å; E335-I339 PolarHBondContact O-N 3.36Å; V336-I339 PolarHBondContact O-N 2.92Å; I339-S342 PolarHBondContact O-N 2.93Å; I339-M343 VanDerWaalsContact O-CB 3.25Å; I339-M343 WeakPolarHBondContact O-CB 3.39Å; I339-M343 PolarHBondContact O-N 3.04Å
340V93Very high90.2Very high0 Ų073.9 Ų73.90%041%0.41CS..Hα-helixtrans-60.9-46.6176.6173.50000111.5F316 F317 T320 I324 V336 M343 W344F316-V340 HydrophobicContact CD1-CG1 4.17Å; F316-V340 HydrophobicContact CE1-CG1 3.99Å; F317-V340 HydrophobicContact CB-CG1 4.12Å; F317-V340 HydrophobicContact CD2-CB 4.11Å; F317-V340 HydrophobicContact CD2-CG1 3.42Å; F317-V340 VanDerWaalsContact CD2-CG1 3.42Å; F317-V340 HydrophobicContact CE2-CB 4.23Å; F317-V340 HydrophobicContact CE2-CG1 4.04Å; F317-V340 HydrophobicContact CG-CG1 3.96Å; T320-V340 HydrophobicContact CG2-CG2 3.85Å; I324-V340 HydrophobicContact CD1-CG2 3.89Å; V336-V340 HydrophobicContact CG1-CG2 4.12Å; V336-V340 VanDerWaalsContact O-CG2 3.23Å; V336-V340 WeakPolarHBondContact O-CG2 3.45Å; V336-V340 PolarHBondContact O-N 2.91Å; V340-M343 PolarHBondContact O-N 3.47Å; V340-W344 PolarHBondContact O-N 2.82Å
341A92.1Very high90.2Very high33 Ų3370.4 Ų70.427%0.27339%0.389SS..Hα-helixtrans-59.6-50.4177.300000111.4S337 M343 W344 D345S337-A341 WeakPolarHBondContact O-CB 3.31Å; S337-A341 PolarHBondContact O-N 3.33Å; A341-M343 VanDerWaalsContact C-N 3.27Å; A341-M343 PolarHBondContact O-N 3.02Å; A341-W344 WeakPolarHBondContact O-CB 3.27Å; A341-W344 PolarHBondContact O-N 3.15Å; A341-W344 VanDerWaalsContact O-N 3.1Å; A341-D345 PolarHBondContact O-N 2.87Å
342S93Very high90.4Very high77 Ų7771.2 Ų71.254%0.53839%0.387SS..Hα-helixtrans-60.5-35.3176.5-178.80000113K338 I339 S346K338-S342 WeakPolarHBondContact O-CB 3.37Å; K338-S342 PolarHBondContact O-N 2.83Å; I339-S342 PolarHBondContact O-N 2.93Å; S342-S346 WeakPolarHBondContact O-CB 3.44Å; S342-S346 PolarHBondContact O-N 3.23Å; S342-S346 VanDerWaalsContact O-N 3.1Å; S342-S346 PolarHBondContact O-OG 3.49Å
343M89.8Confident90.3Very high79 Ų7971.6 Ų71.639%0.38938%0.383SS..Hα-helixtrans-72.8-32.4176.4-163.6173.9120.300112.3F316 T320 I339 V340 A341 S346 L347F316-M343 HydrophobicContact CE2-CE 3.85Å; F316-M343 HydrophobicContact CZ-CB 4.15Å; F316-M343 HydrophobicContact CZ-CE 3.68Å; F316-M343 HydrophobicContact CZ-CG 4.03Å; T320-M343 HydrophobicContact CG2-CE 3.46Å; T320-M343 VanDerWaalsContact CG2-CE 3.46Å; T320-M343 HydrophobicContact CG2-SD 3.71Å; I339-M343 VanDerWaalsContact O-CB 3.25Å; I339-M343 WeakPolarHBondContact O-CB 3.39Å; I339-M343 PolarHBondContact O-N 3.04Å; V340-M343 PolarHBondContact O-N 3.47Å; A341-M343 VanDerWaalsContact C-N 3.27Å; A341-M343 PolarHBondContact O-N 3.02Å; M343-S346 WeakPolarHBondContact CA-OG 3.49Å; M343-S346 PolarHBondContact O-OG 2.88Å; M343-L347 WeakPolarHBondContact O-CG 3.1Å; M343-L347 PolarHBondContact O-N 3.42Å
344W90.1Very high90.4Very high46 Ų4669.8 Ų69.817%0.17438%0.38CS..Hα-helixtrans-68-48.3171.4178.4-107.1000111.3Y313 F316 V340 A341 S346 L347 K352 Y355Y313-W344 HydrophobicContact CD2-CB 4.09Å; Y313-W344 AromaticContact CD2-CD1 3.76Å; Y313-W344 AromaticContact CD2-CD2 3.66Å; Y313-W344 HydrophobicContact CD2-CD2 3.66Å; Y313-W344 AromaticContact CD2-CE2 3.86Å; Y313-W344 HydrophobicContact CD2-CE3 4.26Å; Y313-W344 AromaticContact CD2-CG 3.58Å; Y313-W344 HydrophobicContact CD2-CG 3.58Å; Y313-W344 AromaticContact CD2-NE1 3.91Å; Y313-W344 HydrophobicContact CE2-CB 3.79Å; Y313-W344 AromaticContact CE2-CD1 4Å; Y313-W344 HydrophobicContact CE2-CD2 4.3Å; Y313-W344 AromaticContact CE2-CG 3.76Å; Y313-W344 HydrophobicContact CE2-CG 3.76Å; F316-W344 HydrophobicContact CB-CE3 3.76Å; F316-W344 HydrophobicContact CB-CZ3 3.66Å; F316-W344 HydrophobicContact CD1-CB 3.94Å; F316-W344 HydrophobicContact CD1-CD2 4.15Å; F316-W344 AromaticContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CE3 3.46Å; F316-W344 VanDerWaalsContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CG 4.39Å; F316-W344 HydrophobicContact CD1-CZ3 4.26Å; F316-W344 HydrophobicContact CD2-CE3 4.02Å; F316-W344 HydrophobicContact CD2-CZ3 4.3Å; F316-W344 HydrophobicContact CE1-CB 3.59Å; F316-W344 HydrophobicContact CE1-CE3 4Å; F316-W344 HydrophobicContact CE1-CG 4.45Å; F316-W344 HydrophobicContact CE2-CE3 4.49Å; F316-W344 AromaticContact CG-CE3 3.45Å; F316-W344 HydrophobicContact CG-CE3 3.45Å; F316-W344 VanDerWaalsContact CG-CE3 3.45Å; F316-W344 AromaticContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CZ-CB 4.39Å; F316-W344 HydrophobicContact CZ-CE3 4.46Å; V340-W344 PolarHBondContact O-N 2.82Å; A341-W344 WeakPolarHBondContact O-CB 3.27Å; A341-W344 PolarHBondContact O-N 3.15Å; A341-W344 VanDerWaalsContact O-N 3.1Å; W344-S346 VanDerWaalsContact C-N 3.25Å; W344-S346 PolarHBondContact O-N 2.84Å; W344-L347 HydrophobicContact CE3-CD1 3.73Å; W344-L347 HydrophobicContact CZ3-CD1 4.01Å; W344-L347 WeakPolarHBondContact O-CB 3.36Å; W344-L347 PolarHBondContact O-N 2.81Å; W344-K352 HydrophobicContact CH2-CG 4.25Å; W344-K352 HydrophobicContact CZ2-CG 4.23Å; W344-K352 HydrophobicContact CZ3-CG 4.46Å; W344-K352 WeakPolarHBondContact O-CE 3.44Å; W344-K352 PolarHBondContact O-NZ 3.11Å; W344-K352 VanDerWaalsContact O-NZ 3.15Å; W344-Y355 HydrophobicContact CZ3-CD2 4.12Å; W344-Y355 HydrophobicContact CZ3-CG 4.15Å
345D91.8Very high90.2Very high116 Ų11669.8 Ų69.862%0.6237%0.368SS*.Hα-helixtrans-59.7-39.5179.7-70.1-33.2000111.4A341 L347 K352A341-D345 PolarHBondContact O-N 2.87Å; D345-L347 PolarHBondContact O-N 2.81Å; D345-K352 PolarHBondContact O-NZ 3.23Å
346S91.8Very high90Very high94 Ų9471.7 Ų71.766%0.65738%0.375SS*.THydrogen-bonded Turntrans-80.7-1.6176.356.30000115.8S342 M343 W344S342-S346 WeakPolarHBondContact O-CB 3.44Å; S342-S346 PolarHBondContact O-N 3.23Å; S342-S346 VanDerWaalsContact O-N 3.1Å; S342-S346 PolarHBondContact O-OG 3.49Å; M343-S346 WeakPolarHBondContact CA-OG 3.49Å; M343-S346 PolarHBondContact O-OG 2.88Å; W344-S346 VanDerWaalsContact C-N 3.25Å; W344-S346 PolarHBondContact O-N 2.84Å
347L90.3Very high90.1Very high33 Ų3378.8 Ų78.817%0.17340%0.401CS..SBendtrans-65.8139.3164.7-73.5-171.7000110.7F316 M343 W344 D345 Q351 K352 Y355F316-L347 HydrophobicContact CD2-CD1 3.97Å; F316-L347 HydrophobicContact CE2-CD1 3.67Å; F316-L347 HydrophobicContact CE2-CD2 4.42Å; F316-L347 HydrophobicContact CE2-CG 4.22Å; F316-L347 HydrophobicContact CZ-CD1 4.17Å; F316-L347 HydrophobicContact CZ-CG 4.37Å; M343-L347 WeakPolarHBondContact O-CG 3.1Å; M343-L347 PolarHBondContact O-N 3.42Å; W344-L347 HydrophobicContact CE3-CD1 3.73Å; W344-L347 HydrophobicContact CZ3-CD1 4.01Å; W344-L347 WeakPolarHBondContact O-CB 3.36Å; W344-L347 PolarHBondContact O-N 2.81Å; D345-L347 PolarHBondContact O-N 2.81Å; L347-Q351 HydrophobicContact CB-CB 4.22Å; L347-Q351 HydrophobicContact CD1-CB 4Å; L347-Q351 HydrophobicContact CD2-CB 4.01Å; L347-Q351 HydrophobicContact CD2-CG 4.38Å; L347-Q351 HydrophobicContact CG-CB 4.31Å; L347-K352 HydrophobicContact CB-CD 4.47Å; L347-K352 HydrophobicContact CB-CG 4.04Å; L347-K352 WeakPolarHBondContact O-CE 3.4Å; L347-K352 PolarHBondContact O-NZ 2.82Å; L347-Y355 HydrophobicContact CD1-CD2 4.2Å; L347-Y355 HydrophobicContact CD1-CE2 4.27Å
348G91.8Very high89.8Confident35 Ų3582.1 Ų82.136%0.36141%0.412SS..  trans-65.4157.5167.100000111.9E350 Q351 K352G348-E350 PolarHBondContact O-N 3.38Å; G348-Q351 VanDerWaalsContact CA-OE1 3.31Å; G348-Q351 VanDerWaalsContact N-OE1 3.15Å; G348-Q351 PolarHBondContact O-N 3.44Å; G348-Q351 PolarHBondContact O-OE1 3.31Å; G348-K352 PolarHBondContact O-N 2.59Å
349E87.6Confident89.6Confident112 Ų11276.1 Ų76.152%0.52339%0.388SS..Hα-helixtrans-58.7-30.1179.1-179.253.1-154.400112K352 Q353E349-K352 PolarHBondContact O-N 3.49Å; E349-Q353 HydrophobicContact CG-CG 4.5Å; E349-Q353 WeakPolarHBondContact O-CB 3.31Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.33Å; E349-Q353 WeakPolarHBondContact OE1-CG 2.95Å
350E87.4Confident89.6Confident146 Ų14678.2 Ų78.268%0.68240%0.396SS*.Hα-helixtrans-62.7-46.1173.9-169.9-177.290.400112.5G348 Q353 V354G348-E350 PolarHBondContact O-N 3.38Å; E350-Q353 PolarHBondContact O-N 3.04Å; E350-V354 WeakPolarHBondContact O-CG2 3.29Å; E350-V354 PolarHBondContact O-N 2.64Å
351Q86.1Confident89.5Confident83 Ų8380.7 Ų80.739%0.38842%0.417SS..Hα-helixtrans-68.9-38.1176-66.182.322.200111.4L347 G348 Q353 V354 Y355L347-Q351 HydrophobicContact CB-CB 4.22Å; L347-Q351 HydrophobicContact CD1-CB 4Å; L347-Q351 HydrophobicContact CD2-CB 4.01Å; L347-Q351 HydrophobicContact CD2-CG 4.38Å; L347-Q351 HydrophobicContact CG-CB 4.31Å; G348-Q351 VanDerWaalsContact CA-OE1 3.31Å; G348-Q351 VanDerWaalsContact N-OE1 3.15Å; G348-Q351 PolarHBondContact O-N 3.44Å; G348-Q351 PolarHBondContact O-OE1 3.31Å; Q351-Q353 VanDerWaalsContact C-N 3.33Å; Q351-Q353 PolarHBondContact O-N 3.18Å; Q351-V354 WeakPolarHBondContact O-CB 3.15Å; Q351-V354 PolarHBondContact O-N 2.65Å; Q351-V354 VanDerWaalsContact O-N 3.14Å; Q351-Y355 VanDerWaalsContact O-CD2 3.29Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.27Å; Q351-Y355 PolarHBondContact O-N 3.04Å
352K88Confident89.2Confident45 Ų4581 Ų8120%0.19642%0.419CS..Hα-helixtrans-59.6-42.5172.7-74.6166.7171.7144.70111.3W344 D345 L347 G348 E349 V354 Y355 K356W344-K352 HydrophobicContact CH2-CG 4.25Å; W344-K352 HydrophobicContact CZ2-CG 4.23Å; W344-K352 HydrophobicContact CZ3-CG 4.46Å; W344-K352 WeakPolarHBondContact O-CE 3.44Å; W344-K352 PolarHBondContact O-NZ 3.11Å; W344-K352 VanDerWaalsContact O-NZ 3.15Å; D345-K352 PolarHBondContact O-NZ 3.23Å; L347-K352 HydrophobicContact CB-CD 4.47Å; L347-K352 HydrophobicContact CB-CG 4.04Å; L347-K352 WeakPolarHBondContact O-CE 3.4Å; L347-K352 PolarHBondContact O-NZ 2.82Å; G348-K352 PolarHBondContact O-N 2.59Å; E349-K352 PolarHBondContact O-N 3.49Å; K352-V354 PolarHBondContact O-N 2.77Å; K352-Y355 PolarHBondContact O-N 3.31Å; K352-K356 WeakPolarHBondContact O-CB 3.45Å; K352-K356 PolarHBondContact O-N 3.24Å
353Q88.6Confident88.9Confident88 Ų8883.1 Ų83.141%0.41142%0.418SS..Hα-helixtrans-63.9-36.3172.2-78.1-170.62800113.4E349 E350 Q351 Y355 K356 R357E349-Q353 HydrophobicContact CG-CG 4.5Å; E349-Q353 WeakPolarHBondContact O-CB 3.31Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.33Å; E349-Q353 WeakPolarHBondContact OE1-CG 2.95Å; E350-Q353 PolarHBondContact O-N 3.04Å; Q351-Q353 VanDerWaalsContact C-N 3.33Å; Q351-Q353 PolarHBondContact O-N 3.18Å; Q353-Y355 VanDerWaalsContact C-N 3.34Å; Q353-K356 PolarHBondContact O-N 3.38Å; Q353-R357 VanDerWaalsContact O-CB 3.27Å; Q353-R357 WeakPolarHBondContact O-CB 3.42Å; Q353-R357 PolarHBondContact O-N 2.87Å
354V89.5Confident88.9Confident62 Ų6286.7 Ų86.738%0.37643%0.432SS..Hα-helixtrans-62.3-42173.1169.40000110.8E350 Q351 K352 K358E350-V354 WeakPolarHBondContact O-CG2 3.29Å; E350-V354 PolarHBondContact O-N 2.64Å; Q351-V354 WeakPolarHBondContact O-CB 3.15Å; Q351-V354 PolarHBondContact O-N 2.65Å; Q351-V354 VanDerWaalsContact O-N 3.14Å; K352-V354 PolarHBondContact O-N 2.77Å; V354-K358 HydrophobicContact CG1-CD 4.44Å; V354-K358 WeakPolarHBondContact O-CB 3.36Å; V354-K358 VanDerWaalsContact O-CG 3.29Å; V354-K358 WeakPolarHBondContact O-CG 3.2Å; V354-K358 PolarHBondContact O-N 2.88Å
355Y87.3Confident88.7Confident40 Ų4089.2 Ų89.216%0.15745%0.446CS..Hα-helixtrans-70.6-35.3174.3-75.9-76.2000113.3F316 W344 L347 Q351 K352 Q353 K358 N359F316-Y355 HydrophobicContact CB-CD1 4.07Å; F316-Y355 HydrophobicContact CB-CE1 4.18Å; F316-Y355 HydrophobicContact CB-CG 4.26Å; F316-Y355 HydrophobicContact CD2-CD2 4.16Å; F316-Y355 HydrophobicContact CD2-CE1 4.33Å; F316-Y355 AromaticContact CD2-CE2 3.69Å; F316-Y355 HydrophobicContact CD2-CE2 3.69Å; F316-Y355 AromaticContact CD2-CZ 3.8Å; F316-Y355 HydrophobicContact CE2-CE2 4.41Å; W344-Y355 HydrophobicContact CZ3-CD2 4.12Å; W344-Y355 HydrophobicContact CZ3-CG 4.15Å; L347-Y355 HydrophobicContact CD1-CD2 4.2Å; L347-Y355 HydrophobicContact CD1-CE2 4.27Å; Q351-Y355 VanDerWaalsContact O-CD2 3.29Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.27Å; Q351-Y355 PolarHBondContact O-N 3.04Å; K352-Y355 PolarHBondContact O-N 3.31Å; Q353-Y355 VanDerWaalsContact C-N 3.34Å; Y355-K358 HydrophobicContact CD1-CD 3.95Å; Y355-K358 HydrophobicContact CE1-CD 4.11Å; Y355-K358 PolarHBondContact O-N 3.22Å; Y355-N359 PolarHBondContact O-N 2.89Å
356K87.8Confident88.5Confident139 Ų13985.6 Ų85.660%0.60442%0.424SS*.Hα-helixtrans-60.3-47.8171.7-168175.1-177.6176.20111.4K352 Q353 N359 E360K352-K356 WeakPolarHBondContact O-CB 3.45Å; K352-K356 PolarHBondContact O-N 3.24Å; Q353-K356 PolarHBondContact O-N 3.38Å; K356-N359 PolarHBondContact O-N 3.17Å; K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 PolarHBondContact O-N 2.88Å
357R90.4Very high88.3Confident153 Ų15385.9 Ų85.958%0.57742%0.417SS*.Hα-helixtrans-65.7-36.1176.4-166.8-177.8-61.11396112.4Q353 A361Q353-R357 VanDerWaalsContact O-CB 3.27Å; Q353-R357 WeakPolarHBondContact O-CB 3.42Å; Q353-R357 PolarHBondContact O-N 2.87Å; R357-A361 VanDerWaalsContact O-CB 3.31Å; R357-A361 WeakPolarHBondContact O-CB 3.4Å; R357-A361 PolarHBondContact O-N 3.26Å
358K86.1Confident88.2Confident95 Ų9588.6 Ų88.641%0.41343%0.427SS..Hα-helixtrans-63.3-44.4170.9-78.2174.3175.4-175.30111.8L315 V354 Y355 A361 A362L315-K358 HydrophobicContact CD1-CB 4.39Å; V354-K358 HydrophobicContact CG1-CD 4.44Å; V354-K358 WeakPolarHBondContact O-CB 3.36Å; V354-K358 VanDerWaalsContact O-CG 3.29Å; V354-K358 WeakPolarHBondContact O-CG 3.2Å; V354-K358 PolarHBondContact O-N 2.88Å; Y355-K358 HydrophobicContact CD1-CD 3.95Å; Y355-K358 HydrophobicContact CE1-CD 4.11Å; Y355-K358 PolarHBondContact O-N 3.22Å; K358-A361 PolarHBondContact O-N 3.5Å; K358-A362 WeakPolarHBondContact O-CB 3.41Å; K358-A362 PolarHBondContact O-N 3.21Å
359N89.9Confident88Confident35 Ų3588.5 Ų88.519%0.18742%0.424CS..Hα-helixtrans-64.6-43.5175.8169.9-96.1000111.8V310 S311 A312 L315 Y355 K356 A361 A362 K363V310-N359 PolarHBondContact O-ND2 3.34Å; S311-N359 WeakPolarHBondContact CA-ND2 3.38Å; A312-N359 HydrophobicContact CB-CB 3.82Å; A312-N359 PolarHBondContact N-ND2 3.48Å; L315-N359 HydrophobicContact CD1-CB 4.04Å; Y355-N359 PolarHBondContact O-N 2.89Å; K356-N359 PolarHBondContact O-N 3.17Å; N359-A361 PolarHBondContact O-N 3.31Å; N359-A362 PolarHBondContact O-N 3.48Å; N359-K363 WeakPolarHBondContact O-CB 3.11Å; N359-K363 PolarHBondContact O-N 2.85Å
360E89.7Confident87.9Confident132 Ų13284.5 Ų84.562%0.61741%0.405SS*.Hα-helixtrans-60.1-45.6175.5-169.3-168153.300111.6K356 K363 K364K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 PolarHBondContact O-N 2.88Å; E360-K363 WeakPolarHBondContact O-CB 3.25Å; E360-K363 PolarHBondContact O-N 2.9Å; E360-K364 PolarHBondContact O-N 2.9Å
361A89.7Confident87.9Confident52 Ų5280.7 Ų80.743%0.4340%0.395SS..Hα-helixtrans-62.1-43.2174.300000112.2R357 K358 N359 K363 K364 E365R357-A361 VanDerWaalsContact O-CB 3.31Å; R357-A361 WeakPolarHBondContact O-CB 3.4Å; R357-A361 PolarHBondContact O-N 3.26Å; K358-A361 PolarHBondContact O-N 3.5Å; N359-A361 PolarHBondContact O-N 3.31Å; A361-K363 VanDerWaalsContact C-N 3.31Å; A361-K363 PolarHBondContact O-N 2.9Å; A361-K364 PolarHBondContact O-N 3.06Å; A361-E365 PolarHBondContact O-N 3.03Å
362A86.7Confident87.9Confident39 Ų3981.9 Ų81.932%0.32240%0.401SS..Hα-helixtrans-63.8-35174.600000112.3P309 K358 N359 Y366P309-A362 HydrophobicContact CB-CB 4.17Å; K358-A362 WeakPolarHBondContact O-CB 3.41Å; K358-A362 PolarHBondContact O-N 3.21Å; N359-A362 PolarHBondContact O-N 3.48Å; A362-Y366 VanDerWaalsContact O-CB 3.27Å; A362-Y366 WeakPolarHBondContact O-CB 3.25Å; A362-Y366 PolarHBondContact O-N 3.05Å
363K86.8Confident87.7Confident121 Ų12182.8 Ų82.853%0.52640%0.403SS..Hα-helixtrans-68.6-38.4174-175.2177.9178.1-179.50111.9P309 N359 E360 A361 L367P309-K363 HydrophobicContact CB-CB 4.34Å; P309-K363 HydrophobicContact CG-CB 3.96Å; P309-K363 HydrophobicContact CG-CG 4.22Å; N359-K363 WeakPolarHBondContact O-CB 3.11Å; N359-K363 PolarHBondContact O-N 2.85Å; E360-K363 WeakPolarHBondContact O-CB 3.25Å; E360-K363 PolarHBondContact O-N 2.9Å; A361-K363 VanDerWaalsContact C-N 3.31Å; A361-K363 PolarHBondContact O-N 2.9Å; K363-L367 WeakPolarHBondContact O-CG 3.49Å; K363-L367 PolarHBondContact O-N 3.02Å
364K89.4Confident87.5Confident154 Ų15486 Ų8667%0.6741%0.411SS*.Hα-helixtrans-65.6-48.5173.9-172.4174.1-177.6173.90112E360 A361 Y366 L367 K368E360-K364 PolarHBondContact O-N 2.9Å; A361-K364 PolarHBondContact O-N 3.06Å; K364-Y366 VanDerWaalsContact C-N 3.35Å; K364-Y366 PolarHBondContact O-N 3.29Å; K364-L367 PolarHBondContact O-N 3.16Å; K364-K368 WeakPolarHBondContact O-CB 3.49Å; K364-K368 PolarHBondContact O-N 2.94Å
365E86.6Confident87.2Confident100 Ų10085.7 Ų85.747%0.46742%0.416SS..Hα-helixtrans-66-35175.7-72.9-59.5128.900112.1A361 K368 A369A361-E365 PolarHBondContact O-N 3.03Å; E365-K368 PolarHBondContact O-N 3.41Å; E365-K368 IonicContact OE1-NZ 3.41Å; E365-K368 PolarHBondContact OE1-NZ 3.1Å; E365-K368 IonicContact OE2-NZ 2.78Å; E365-K368 PolarHBondContact OE2-NZ 2.91Å; E365-A369 VanDerWaalsContact O-CB 3.29Å; E365-A369 WeakPolarHBondContact O-CB 3.45Å; E365-A369 PolarHBondContact O-N 3.43Å
366Y87.3Confident86.8Confident40 Ų4089.1 Ų89.116%0.15744%0.437CS..Hα-helixtrans-61.2-46.4171.2167.8-98.6000112.4P306 Q307 K308 P309 A362 K364 K368 A369 L370P306-Y366 HydrophobicContact CB-CD2 4.1Å; P306-Y366 HydrophobicContact CB-CE2 4.26Å; P306-Y366 HydrophobicContact CG-CD2 4.48Å; P306-Y366 HydrophobicContact CG-CE2 4.29Å; P306-Y366 WeakPolarHBondContact O-CE2 3.29Å; Q307-Y366 WeakPolarHBondContact O-CD2 3.43Å; K308-Y366 HydrophobicContact CB-CE2 4.49Å; K308-Y366 HydrophobicContact CG-CE2 4.14Å; P309-Y366 HydrophobicContact CG-CG 4.48Å; A362-Y366 VanDerWaalsContact O-CB 3.27Å; A362-Y366 WeakPolarHBondContact O-CB 3.25Å; A362-Y366 PolarHBondContact O-N 3.05Å; K364-Y366 VanDerWaalsContact C-N 3.35Å; K364-Y366 PolarHBondContact O-N 3.29Å; Y366-K368 VanDerWaalsContact C-N 3.3Å; Y366-K368 PolarHBondContact O-N 3.42Å; Y366-A369 PolarHBondContact O-N 3.36Å; Y366-L370 HydrophobicContact CE1-CD2 4.12Å; Y366-L370 WeakPolarHBondContact O-CB 3.17Å; Y366-L370 PolarHBondContact O-N 2.99Å
367L87Confident86.4Confident99 Ų9989.4 Ų89.452%0.51844%0.438SS..Hα-helixtrans-63.8-37.1179.2-73.9169.4000112K363 K364 L370 S371K363-L367 WeakPolarHBondContact O-CG 3.49Å; K363-L367 PolarHBondContact O-N 3.02Å; K364-L367 PolarHBondContact O-N 3.16Å; L367-L370 PolarHBondContact O-N 3.43Å; L367-S371 PolarHBondContact O-N 3.07Å
368K89.6Confident85.3Confident90 Ų9088.7 Ų88.739%0.39145%0.445SS..Hα-helixtrans-67.4-50.6173.3173-177.5153.5-143.10112.2K364 E365 Y366 L370 S371 E372K364-K368 WeakPolarHBondContact O-CB 3.49Å; K364-K368 PolarHBondContact O-N 2.94Å; E365-K368 PolarHBondContact O-N 3.41Å; E365-K368 IonicContact OE1-NZ 3.41Å; E365-K368 PolarHBondContact OE1-NZ 3.1Å; E365-K368 IonicContact OE2-NZ 2.78Å; E365-K368 PolarHBondContact OE2-NZ 2.91Å; Y366-K368 VanDerWaalsContact C-N 3.3Å; Y366-K368 PolarHBondContact O-N 3.42Å; K368-L370 PolarHBondContact O-N 3.12Å; K368-S371 PolarHBondContact O-N 3.02Å; K368-S371 PolarHBondContact O-OG 3.5Å; K368-E372 WeakPolarHBondContact CE-OE1 3.47Å; K368-E372 VanDerWaalsContact CG-OE1 3.29Å; K368-E372 WeakPolarHBondContact CG-OE1 3.49Å; K368-E372 WeakPolarHBondContact O-CG 3.19Å; K368-E372 PolarHBondContact O-N 3.01Å
369A87Confident84.4Confident34 Ų3488.9 Ų88.928%0.28146%0.459SS..Hα-helixtrans-60-31.1174.900000112P306 E365 Y366 Y373P306-A369 HydrophobicContact CB-CB 3.99Å; P306-A369 HydrophobicContact CG-CB 4.34Å; E365-A369 VanDerWaalsContact O-CB 3.29Å; E365-A369 WeakPolarHBondContact O-CB 3.45Å; E365-A369 PolarHBondContact O-N 3.43Å; Y366-A369 PolarHBondContact O-N 3.36Å; A369-Y373 WeakPolarHBondContact O-CB 3.39Å; A369-Y373 PolarHBondContact O-N 3.23Å
370L86Confident82.8Confident27 Ų2795.5 Ų95.514%0.14149%0.489CS..Hα-helixtrans-72.2-35.9174.8-169.871.8000112.5P306 Y366 L367 K368 R374P306-L370 HydrophobicContact CG-CB 4.28Å; P306-L370 HydrophobicContact CG-CD1 4.05Å; Y366-L370 HydrophobicContact CE1-CD2 4.12Å; Y366-L370 WeakPolarHBondContact O-CB 3.17Å; Y366-L370 PolarHBondContact O-N 2.99Å; L367-L370 PolarHBondContact O-N 3.43Å; K368-L370 PolarHBondContact O-N 3.12Å; L370-R374 WeakPolarHBondContact O-CB 3.49Å; L370-R374 WeakPolarHBondContact O-CD 3.32Å; L370-R374 WeakPolarHBondContact O-CG 3.26Å; L370-R374 PolarHBondContact O-N 3.33Å; L370-R374 VanDerWaalsContact O-N 3.07Å
371S85.4Confident80.5Confident67 Ų6793.2 Ų93.247%0.46949%0.492SS..Hα-helixtrans-72.9-40.7173.565.80000111.7L367 K368 R374 A375L367-S371 PolarHBondContact O-N 3.07Å; K368-S371 PolarHBondContact O-N 3.02Å; K368-S371 PolarHBondContact O-OG 3.5Å; S371-R374 PolarHBondContact O-N 3.12Å; S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 3.46Å
372E86.3Confident78.5Confident107 Ų10796.5 Ų96.550%0.551%0.509SS..Hα-helixtrans-60-45.6172.3-70.2169.3-171.800111.3K368 R374 A375 N376K368-E372 WeakPolarHBondContact CE-OE1 3.47Å; K368-E372 VanDerWaalsContact CG-OE1 3.29Å; K368-E372 WeakPolarHBondContact CG-OE1 3.49Å; K368-E372 WeakPolarHBondContact O-CG 3.19Å; K368-E372 PolarHBondContact O-N 3.01Å; E372-R374 PolarHBondContact O-N 3.49Å; E372-A375 PolarHBondContact O-N 2.85Å; E372-N376 VanDerWaalsContact O-CB 3.32Å; E372-N376 WeakPolarHBondContact O-CB 3.32Å; E372-N376 PolarHBondContact O-N 3.16Å
373Y85.1Confident76.5Confident64 Ų64102.3 Ų102.325%0.25153%0.533SS..Hα-helixtrans-63.3-39.7175.8179.7-111.6000112.9N304 E305 A369 K377N304-Y373 HydrophobicContact CB-CE2 4.39Å; N304-Y373 VanDerWaalsContact O-CD2 3.31Å; N304-Y373 WeakPolarHBondContact O-CD2 3.23Å; N304-Y373 VanDerWaalsContact O-CE2 3.23Å; N304-Y373 WeakPolarHBondContact O-CE2 3.27Å; E305-Y373 HydrophobicContact CB-CE1 4.36Å; E305-Y373 HydrophobicContact CG-CE1 4.25Å; A369-Y373 WeakPolarHBondContact O-CB 3.39Å; A369-Y373 PolarHBondContact O-N 3.23Å; Y373-K377 VanDerWaalsContact O-CB 3.26Å; Y373-K377 WeakPolarHBondContact O-CB 3.18Å; Y373-K377 PolarHBondContact O-N 3.49Å
374R83.3Confident74.5Confident155 Ų155104.7 Ų104.759%0.58555%0.546SS*.Hα-helixtrans-62.1-51.5172.8-73.8166.8-172.3-169.42.8111L370 S371 E372 N376 K377 N378L370-R374 WeakPolarHBondContact O-CB 3.49Å; L370-R374 WeakPolarHBondContact O-CD 3.32Å; L370-R374 WeakPolarHBondContact O-CG 3.26Å; L370-R374 PolarHBondContact O-N 3.33Å; L370-R374 VanDerWaalsContact O-N 3.07Å; S371-R374 PolarHBondContact O-N 3.12Å; E372-R374 PolarHBondContact O-N 3.49Å; R374-N376 PolarHBondContact O-N 2.97Å; R374-K377 PolarHBondContact O-N 3Å; R374-N378 PolarHBondContact O-N 3.35Å; R374-N378 PolarHBondContact O-OD1 3.49Å; R374-N378 VanDerWaalsContact O-OD1 3.12Å
375A83.1Confident72.2Confident56 Ų56104 Ų10446%0.46356%0.555SS.*Hα-helixtrans-57.1-49.3179.400000111.4S371 E372 K377 N378 S379S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 3.46Å; E372-A375 PolarHBondContact O-N 2.85Å; A375-K377 VanDerWaalsContact C-N 3.31Å; A375-K377 PolarHBondContact O-N 3.42Å; A375-N378 CarbonylContact O-C 3.59Å; A375-N378 WeakPolarHBondContact O-CB 3.39Å; A375-N378 PolarHBondContact O-N 3.38Å; A375-N378 VanDerWaalsContact O-N 3.1Å; A375-S379 PolarHBondContact O-N 3.1Å; A375-S379 PolarHBondContact O-OG 3.4Å
376N79.6Confident70Confident113 Ų113106.7 Ų106.760%0.60457%0.569SS**Hα-helixtrans-66.9-31-178.8-156.850.1000112.8E372 R374 S379E372-N376 VanDerWaalsContact O-CB 3.32Å; E372-N376 WeakPolarHBondContact O-CB 3.32Å; E372-N376 PolarHBondContact O-N 3.16Å; R374-N376 PolarHBondContact O-N 2.97Å; N376-S379 PolarHBondContact O-N 2.57Å
377K79Confident67.6Low145 Ų145114.2 Ų114.263%0.6361%0.606SS**Hα-helixtrans-69-40.7170.4-178.9176.5178.4-178.10112Y373 R374 A375 S379 Q380Y373-K377 VanDerWaalsContact O-CB 3.26Å; Y373-K377 WeakPolarHBondContact O-CB 3.18Å; Y373-K377 PolarHBondContact O-N 3.49Å; R374-K377 PolarHBondContact O-N 3Å; A375-K377 VanDerWaalsContact C-N 3.31Å; A375-K377 PolarHBondContact O-N 3.42Å; K377-S379 PolarHBondContact O-N 3.01Å; K377-Q380 PolarHBondContact O-N 3.42Å; K377-Q380 VanDerWaalsContact O-N 3.16Å
378N68.8Low65.2Low137 Ų137115.6 Ų115.673%0.73362%0.618SS**Hα-helixtrans-66.7-24.6174.3-85.182000112.8R374 A375 Q380R374-N378 PolarHBondContact O-N 3.35Å; R374-N378 PolarHBondContact O-OD1 3.49Å; R374-N378 VanDerWaalsContact O-OD1 3.12Å; A375-N378 CarbonylContact O-C 3.59Å; A375-N378 WeakPolarHBondContact O-CB 3.39Å; A375-N378 PolarHBondContact O-N 3.38Å; A375-N378 VanDerWaalsContact O-N 3.1Å; N378-Q380 VanDerWaalsContact C-N 3.32Å
379S65.1Low62.5Low100 Ų100118.4 Ų118.470%0.69963%0.633SS**THydrogen-bonded Turntrans-80-3.8171.6-57.10000114.8A375 N376 K377A375-S379 PolarHBondContact O-N 3.1Å; A375-S379 PolarHBondContact O-OG 3.4Å; N376-S379 PolarHBondContact O-N 2.57Å; K377-S379 PolarHBondContact O-N 3.01Å
380Q57Low60.1Low173 Ų173122.7 Ų122.781%0.80866%0.658SS**  trans-109.947.8-175.6-159.217766.900113.6K377 N378K377-Q380 PolarHBondContact O-N 3.42Å; K377-Q380 VanDerWaalsContact O-N 3.16Å; N378-Q380 VanDerWaalsContact C-N 3.32Å
381A41.3Very low57.5Low84 Ų84125.4 Ų125.469%0.69468%0.679SS**SBendtrans-157.4132.9164.800000111.9
382P48.9Very low55.8Low121 Ų121127.6 Ų127.679%0.78669%0.692SS**  cis-118.5148.4-27.636.4-23.4000112.2
383I43.6Very low53.6Low161 Ų161128.4 Ų128.483%0.82671%0.707SS**  trans-87.3127.4159.2-63.7174.7000106.6V385I383-V385 PolarHBondContact O-N 2.8Å
384E44.3Very low51.7Low171 Ų171131 Ų13180%0.79973%0.731SS**  trans-62.3117.1174.8-70.9-166.5132.800110.7M386E384-M386 PolarHBondContact O-N 3.43Å
385V41.4Very low49.4Very low140 Ų140128.6 Ų128.685%0.84874%0.744SS**  trans-81.794.3163.11800000106.7I383 E387I383-V385 PolarHBondContact O-N 2.8Å; V385-E387 PolarHBondContact O-N 3.31Å
386M41Very low47.3Very low157 Ų157130.2 Ų130.277%0.77376%0.758SS**  trans-52.6121.8172.3-94.7-174.3158.800110.4E384 T388E384-M386 PolarHBondContact O-N 3.43Å; M386-T388 PolarHBondContact O-N 2.92Å; M386-T388 PolarHBondContact O-OG1 3.08Å
387E37.6Very low45.8Very low198 Ų198130.9 Ų130.993%0.92577%0.768SS**  trans-65.6102-178.4-171.6161.888.400110.3V385V385-E387 PolarHBondContact O-N 3.31Å
388T35.2Very low43.8Very low127 Ų127128.3 Ų128.378%0.77977%0.774SS**  trans-90.7106.4-178.8-57.80000109.6M386 P390M386-T388 PolarHBondContact O-N 2.92Å; M386-T388 PolarHBondContact O-OG1 3.08Å; T388-P390 WeakPolarHBondContact O-CD 3.18Å
389E33.7Very low42.8Very low149 Ų149127.8 Ų127.870%0.69678%0.778SS**  trans-56.7127.5-178.2-170.9-155.8115.700113.4S391E389-S391 WeakPolarHBondContact OE1-CB 3.46Å; E389-S391 PolarHBondContact OE1-OG 3.31Å
390P36.6Very low42.3Very low124 Ų124128.6 Ų128.681%0.80578%0.781SS**  trans-110.690.517136.2-25.3000112.9T388T388-P390 WeakPolarHBondContact O-CD 3.18Å
391S31.3Very low42.2Very low85 Ų85125.5 Ų125.559%0.59478%0.776SS**  trans-85.1166.7167.2-78.70000112.1E389E389-S391 WeakPolarHBondContact OE1-CB 3.46Å; E389-S391 PolarHBondContact OE1-OG 3.31Å
392P49.5Very low42Very low113 Ų113127.9 Ų127.973%0.73478%0.781SS**  -137.7177.5-59.340.1-23.8000113.4
393P40.6Very low41.4Very low124 Ų124127.8 Ų127.881%0.80578%0.779SS**  trans-106.8164.9161.5-0.322.5000114.1
394P45.3Very low40.9Very low119 Ų119126.5 Ų126.577%0.77378%0.778SS**  trans-115.7158.8-152.640.6-33.8000119
395A33.7Very low40.5Very low103 Ų103127.1 Ų127.185%0.85178%0.781SS**  trans65.1147.6151.700000119.1
396A40.1Very low40Very low91 Ų91124.8 Ų124.875%0.75278%0.777SS**  cis-168.9-164.7-10.100000107.2
397P46.9Very low39.7Very low127 Ų127122.9 Ų122.983%0.82578%0.779SS**  cis-117.2-172.3-3236.7-19.2000112.9
398A38.3Very low39.3Very low90 Ų90119.9 Ų119.974%0.74477%0.774SS**  trans-87.8169.2-176.200000115.5
399P47.1Very low39.2Very low126 Ų126119.5 Ų119.582%0.81878%0.777SS**  -140.4174.298.833.3-15.9000116.5
400P53.8Low39.1Very low117 Ų117119.2 Ų119.276%0.7678%0.78SS**  trans-123.9-156.9-164.842.1-25.1000113.8
401P55.9Low39.6Very low108 Ų108119 Ų11970%0.70178%0.779SS**  cis-134.7162-47.531-12.5000115.7
402V38Very low39.7Very low134 Ų134125.2 Ų125.281%0.81279%0.789SS**  trans-151.2106.8153.8-164.80000108.6
403V35.2Very low39.5Very low120 Ų120125.6 Ų125.673%0.72779%0.791SS**  54.211689.8-171.50000113.8
404T33.8Very low39Very low133 Ų133124 Ų12482%0.81678%0.783SS**  -166.9159.792.3-59.90000111.8
405Q34.3Very low38.3Very low184 Ų184129.3 Ų129.386%0.8679%0.788SS**  trans-87.6-178.6-179-57.7166.31700110.9
406A32.3Very low38Very low92 Ų92129.4 Ų129.476%0.7678%0.782SS**  cis-152.3-172.617.400000109.3
407S33.5Very low37.7Very low116 Ų116133 Ų13381%0.81178%0.783SS**  cis-154.6178.220.355.40000114.3
408T30.8Very low37.1Very low135 Ų135136 Ų13683%0.82879%0.786SS**  trans-76162.9-176.846.40000113.1
409S32.2Very low36.7Very low120 Ų120141 Ų14184%0.83979%0.787SS**  -166.3-179.451.857.80000115.2
410N32.7Very low36Very low142 Ų142142 Ų14276%0.75979%0.785SS**  trans-138.1161.4-174.2-152.1-6.8000107.5
411P46.5Very low35.7Very low121 Ų121141.3 Ų141.379%0.78678%0.781SS**  -153.1174.780.440.4-20.7000117.2
412R33.5Very low34.7Very low215 Ų215145.1 Ų145.181%0.81179%0.79SS**  trans-103.2170172.6-152.6-165-167.6178.67.2111.3
413P45.3Very low34.5Very low120 Ų120148.2 Ų148.278%0.77980%0.795SS**  -139.3174.2118.535.8-22.4000115.9
414S29.8Very low34.7Very low91 Ų91150.4 Ų150.464%0.63680%0.803SS**  trans-70.1168.4-175.175.20000114.1
415R30.4Very low35.1Very low230 Ų230149.9 Ų149.987%0.86880%0.8SS**  cis-149.3-162.636.1-128.6163.2167.8142.3-3.2109.3
416S28.4Very low35.2Very low105 Ų105148.4 Ų148.473%0.73480%0.796SS**  cis-153.1-174.27.5-1430000113.1
417Q33.9Very low35.6Very low166 Ų166149.4 Ų149.478%0.77679%0.793SS**  trans-91.8140.8173-79-90.82100112.5
418H33.8Very low35.7Very low192 Ų192151.6 Ų151.689%0.88980%0.796SS**  trans-163154.1139.8-116.567000113.4
419Y29Very low36.1Very low195 Ų195151.9 Ų151.977%0.76579%0.791SS**  trans-150.6109.9-178.6174.2-87.6000110.7
420N33.4Very low36Very low145 Ų145151.8 Ų151.878%0.77579%0.789SS**  trans-166.8157.1146.4-121.3-102.7000110.6
421P47.5Very low36Very low103 Ų103151.7 Ų151.767%0.66979%0.793SS**  trans-117.8103.8-174.235.8-19.2000113
422E34.7Very low35.4Very low189 Ų189151.3 Ų151.388%0.88379%0.793SS**  trans-158.695.8170.5-129.9169.1-147.800111
423E33.4Very low35.6Very low198 Ų198148.6 Ų148.693%0.92580%0.795SS**  trans179.782.3155-106.5179.715600110
424N39.6Very low35.4Very low166 Ų166151 Ų15189%0.88880%0.8SS**  trans-150.258.2158.2-148.33.3000109.6
425T42.4Very low35.8Very low122 Ų122153 Ų15375%0.74880%0.802SS**  trans-114.6149178.3-52.70000107.3
426I36.9Very low35.9Very low153 Ų153150.4 Ų150.479%0.78580%0.804SS**SBendtrans76.7105.3-165.8-49.1158.5000109.9
427T39.7Very low36Very low114 Ų114152 Ų15270%0.69980%0.804SS**  cis-140126.810.3-51.20000111I429T427-I429 HydrophobicContact CG2-CG1 4.43Å
428N35.7Very low36Very low162 Ų162152 Ų15287%0.86681%0.809SS**  trans-142.280.3165.6-165-3.9000109.1
429I38.6Very low36.4Very low141 Ų141148.6 Ų148.672%0.72380%0.804SS**  trans-134.7146.4-177.1-52.9-179.7000106.9T427T427-I429 HydrophobicContact CG2-CG1 4.43Å
430C31.9Very low36.5Very low118 Ų118147.2 Ų147.280%0.79780%0.804SS**SBendtrans92.536.5176.2-56.90000119.6
431T32.4Very low36.5Very low139 Ų139146.6 Ų146.685%0.85381%0.805SS**  trans-150.191.7147.8-3.20000114.1
432S33.7Very low35.9Very low113 Ų113146.9 Ų146.979%0.7981%0.805SS**  trans-166.9108.7159.8-840000111
433N36.7Very low35.9Very low158 Ų158143.7 Ų143.785%0.84580%0.799SS**  trans164109.7141.2-88.3-33.8000110.5
434I42.1Very low35.8Very low171 Ų171145.7 Ų145.788%0.87780%0.798SS**  -177.2138.4119.5-92.4157.1000109
435I37.7Very low35.3Very low134 Ų134142.9 Ų142.969%0.68779%0.791SS**  trans-85.8143.3-166.4-63.8151.8000111.1
436L32.3Very low35.1Very low174 Ų174148.1 Ų148.191%0.91180%0.797SS**  trans-152.8127.4132.5-137.871.3000112.1
437D31.6Very low34.9Very low138 Ų138147 Ų14774%0.73880%0.798SS**  trans-73.9150.1-179.6-96.7-83.1000113.6
438L32.6Very low34.5Very low167 Ų167145.1 Ų145.187%0.87480%0.801SS**  trans-138.1116.8160-145.777.7000109.4
439P42.6Very low34.3Very low121 Ų121142 Ų14279%0.78680%0.798SS**PPolyproline II helixtrans-82125.9-165.430.2-35.1000113.6
440H30.6Very low34.3Very low166 Ų166145.1 Ų145.177%0.76981%0.806SS**PPolyproline II helixtrans-94.7142.4169.8-168.1-83.5000112.4T442H440-T442 PolarHBondContact ND1-OG1 2.72Å
441V33.2Very low35.3Very low131 Ų131144.7 Ų144.779%0.79480%0.802SS**PPolyproline II helixtrans-95.1118.1-175.3178.90000111.4
442T34.8Very low36Very low110 Ų110144.2 Ų144.268%0.67580%0.801SS**  trans-137.9101.9177.2-53.70000114.1H440H440-T442 PolarHBondContact ND1-OG1 2.72Å
443T34.7Very low36.2Very low122 Ų122143.2 Ų143.275%0.74880%0.799SS**  trans21.1107150.660.90000122.6
444R32.7Very low36.6Very low239 Ų239142 Ų14290%0.90280%0.801SS**  33.2108.1113.1179.2-174.3168.1167.2-3.6119.1
445S29.3Very low36.3Very low107 Ų107138.3 Ų138.375%0.74880%0.795SS**  -169.8129.5128.5-124.10000116
446R37Very low36.7Very low232 Ų232137.8 Ų137.888%0.87580%0.8SS**  34.1138.6128.7-93.2-178.4-173.4-1622.1120.9
447T33.5Very low36.9Very low129 Ų129134.7 Ų134.779%0.79179%0.793SS**  cis-161.5140.418.2-39.80000114.7
448G31.5Very low37.5Very low75 Ų75134.1 Ų134.177%0.77380%0.797SS**  trans84.3154.6148.600000119.6
449A30.2Very low37.8Very low96 Ų96130.4 Ų130.479%0.79379%0.791SS**  cis-163.5130.1-11.700000116
450K40Very low37.5Very low208 Ų208130.5 Ų130.590%0.90479%0.791SS**  trans72.4161144.9-80.4-158.4169.2-176.50122.4
451P52.8Low37.7Very low109 Ų109129.7 Ų129.771%0.70879%0.793SS**  trans-130.4-165.3-14643.9-25.9000115.4
452P46.3Very low38.5Very low129 Ų129128.6 Ų128.684%0.83879%0.788SS**  -138.8177.610140-28.5000115.4
453A37.5Very low38.7Very low91 Ų91129.6 Ų129.675%0.75280%0.797SS**  trans-127.9172.5176.200000111
454P45.9Very low38.5Very low134 Ų134129.7 Ų129.787%0.8780%0.797SS**  -142.9-177.89837.8-21.8000115.7
455A36.4Very low38.4Very low92 Ų92124 Ų12476%0.7679%0.789SS**  trans-101-165.9-173.800000111.5
456P44.5Very low38.5Very low123 Ų123124.7 Ų124.780%0.79979%0.789SS**  cis-140.4-179.67.743.9-24.4000118.1
457S38.5Very low38.1Very low109 Ų109121.8 Ų121.876%0.76278%0.782SS**  trans-73.4169.8166.4-29.20000112.5
458P42.6Very low38.1Very low126 Ų126123.4 Ų123.482%0.81879%0.785SS**  -149.4-176.169.140.8-20.5000116.5
459A40.2Very low38.2Very low89 Ų89126.4 Ų126.474%0.73678%0.781SS**  trans-87.6161.7169.300000112.4
460P36.1Very low38.5Very low123 Ų123129.4 Ų129.480%0.79978%0.782SS**  -150.2-178.6105.340.1-23.3000115.9
461N34.8Very low38.2Very low149 Ų149127.6 Ų127.680%0.79778%0.775SS**  trans-103.7179.4172.57-95.5000110.9
462P50.3Low37.1Very low109 Ų109128.9 Ų128.971%0.70877%0.771SS**  cis-125.6-160.6-30.140.8-24.4000110.9
463P37.8Very low36.2Very low131 Ų131130.3 Ų130.385%0.85177%0.769SS**  trans-142167.2143.939-25.6000116.1
464T31.2Very low35.8Very low123 Ų123132.8 Ų132.876%0.75577%0.768SS**  trans-140.4121.6-168.1-640000113.7
465V30.2Very low35.2Very low121 Ų121133.8 Ų133.873%0.73377%0.766SS**  trans76.2151.3149.41710000122.3
466T31Very low35.9Very low121 Ų121135 Ų13574%0.74277%0.765SS**  trans75.4128.2166.828.80000118.8
467K28.7Very low35.3Very low170 Ų170135.1 Ų135.174%0.73977%0.77SS**  -174.8156.452.2-126.8165.1-169.2171.90112.3
468I33.6Very low34.9Very low164 Ų164133.4 Ų133.484%0.84177%0.769SS**  trans-162.1149.3135.1-100.5151.1000108.2
469I34.2Very low34.4Very low137 Ų137130.9 Ų130.970%0.70377%0.766SS**  trans-138.8138.4-173.2-63.2170.2000109.1
470I37.1Very low34.1Very low159 Ų159135.7 Ų135.782%0.81578%0.775SS**  trans-130.9164.5171.4-61.1-175.8000110.2
471K33.2Very low33.8Very low171 Ų171135 Ų13574%0.74377%0.773SS**  trans-122.1163.5-158.8-90.7-163.9170.8-145.60112.4
472Q30Very low33.6Very low136 Ų136135 Ų13564%0.63677%0.772SS**  cis-170.5173.5-9.5179.4-177.5-8000107.7
473M26Very low32.6Very low159 Ų159135.9 Ų135.978%0.78378%0.775SS**  trans81.4153.3174.1-51.6178.357.500113.4
474L29.2Very low32.1Very low143 Ų143134.8 Ų134.875%0.74977%0.771SS**  cis-143.3163.418.9-178.862.7000113
475L33Very low32.1Very low155 Ų155134.9 Ų134.981%0.81277%0.771SS**  trans-147.2172171.3-96.3106.3000107.9
476P51.9Low32.1Very low116 Ų116135.7 Ų135.775%0.75378%0.777SS**  cis-135.9-154.9-1.241.6-21.8000114.1
477S31.3Very low32.1Very low127 Ų127134.6 Ų134.689%0.88878%0.78SS**  trans100.5140.5156.4-153.30000117.9
478G31.2Very low32.3Very low72 Ų72131.9 Ų131.974%0.74278%0.782SS**  cis165.3151-10.800000116.1
479G31.3Very low32.2Very low73 Ų73129.4 Ų129.475%0.75378%0.78SS**  trans86165.1168.800000117.3
480M33.3Very low33Very low191 Ų191128.4 Ų128.494%0.94178%0.782SS**  cis-166.9169.5-31.5-120163.591.800110
481S31.7Very low32.7Very low107 Ų107131 Ų13175%0.74878%0.782SS**  trans-59.3167.1-174.7-47.20000115.6
482I30Very low32.7Very low150 Ų150130 Ų13077%0.76978%0.779SS**  -169.715963.848.8176.3000114
483T30Very low33.6Very low128 Ų128128.5 Ų128.579%0.78578%0.782SS**  trans23.6147.3152.854.30000122.3
484S26.7Very low34.5Very low108 Ų108126.7 Ų126.776%0.75578%0.782SS**  cis-157.6168.539.5580000116.9
485T30.9Very low36.3Very low124 Ų124125.2 Ų125.276%0.76178%0.781SS**  trans-35.2154.1167.8520000117.1
486T30.8Very low36.5Very low139 Ų139125.5 Ų125.585%0.85378%0.782SS**  cis-126.1-153.935.251.30000112.4
487A30.5Very low35.8Very low97 Ų97128.1 Ų128.180%0.80278%0.784SS**  cis-150.4-138.711.200000113.9
488S31.8Very low36.2Very low114 Ų114129.3 Ų129.380%0.79778%0.776SS**  trans-132.1154.4-157.553.90000117.1
489S32.5Very low36.4Very low112 Ų112132.2 Ų132.278%0.78377%0.772SS**  trans-100-158.3174.7-41.20000111.5
490P51Low36.8Very low116 Ų116136.4 Ų136.475%0.75377%0.772SS**  cis-143.7-176.6-8.840.4-19.8000118.3
491R30.9Very low36.7Very low214 Ų214133.3 Ų133.381%0.80876%0.759SS**  trans89.1122143.2-100.8-167.1-171.1-137.49.4125.1
492Q32.3Very low36.9Very low148 Ų148134.2 Ų134.269%0.69276%0.76SS**  trans74.8144.8138.5-84.4-175.6-87.700125.1
493P49.7Very low38Very low106 Ų106132.5 Ų132.569%0.68876%0.759SS**  trans-105.6-160.3171.647.5-39.1000111.2
494P45.1Very low39.1Very low121 Ų121131.9 Ų131.979%0.78676%0.757SS**  cis-133.3-107.59.428.22.1000118.6
495P67Low40.2Very low112 Ų112132 Ų13273%0.72776%0.755SS**  trans-127.5165-137.842.1-23000118.4
496L36.2Very low41.2Very low160 Ų160131.5 Ų131.584%0.83875%0.754SS**  trans-159.2141.7157.4-84173.6000106.6
497Q38.3Very low41.3Very low171 Ų171135.4 Ų135.480%0.79975%0.753SS**  cis90.1128.822.3-161.4174.6102.300116
498Q39.3Very low41.3Very low153 Ų153136.9 Ų136.972%0.71575%0.747SS**  trans114.1129.1148.4-146.7165.831.800120.4
499M36.3Very low41.4Very low132 Ų132138.2 Ų138.265%0.6574%0.74SS**  trans8.9147.3157.4-55.5-171.8-52.500123.1
500Q38.6Very low41.5Very low162 Ų162140.7 Ų140.776%0.75774%0.739SS**  -157.1156.599.3-162.849.832.800112.9
501N32.3Very low40.6Very low126 Ų126138.9 Ų138.967%0.67473%0.734SS**  trans-90.1170.1-174.5-74.1-68.8000115.3
502T34.8Very low41.5Very low125 Ų125134.4 Ų134.477%0.76773%0.733SS**  trans-58.4-176.216356.10000113.5
503P53.3Low42.4Very low114 Ų114132.7 Ų132.774%0.7474%0.735SS**  cis-123.5-126-3.331.9-6.1000110.1
504P52.7Low42.8Very low115 Ų115132.9 Ų132.975%0.74774%0.736SS**  cis-124.6-101.2-25.224.42.4000119.2
505P50.7Low42.2Very low111 Ų111134.8 Ų134.872%0.72174%0.739SS**  -137.2-148.6-126.650.5-29.1000117.3
506P52Low40.6Very low113 Ų113138 Ų13873%0.73474%0.744SS**  -142.3-166.3-111.344.9-21.7000117.8
507R31.1Very low40.5Very low221 Ų221135.4 Ų135.483%0.83475%0.746SS**  trans-154142.3153.3-100-149.8156.4-177-6.8109.4
508L31.4Very low40.2Very low129 Ų129136.7 Ų136.768%0.67575%0.748SS**  cis66.1138.449.7-56.6174.3000112.3
509Q34.7Very low40.3Very low141 Ų141135.3 Ų135.366%0.65975%0.753SS**  cis-167.6171.36.4-114.4167.2-81.200106.6
510Q34.3Very low40.2Very low164 Ų164140.9 Ų140.977%0.76677%0.767SS**  cis-166.4168.2-1174.4165.9-37.100109.4
511A31.8Very low39.7Very low78 Ų78136.8 Ų136.865%0.64577%0.768SS**  trans-137.1174.1166.100000110.2
512P49Very low39.6Very low120 Ų120135 Ų13578%0.77978%0.779SS**  cis-118.1-132.6-6.535.9-13000108.8
513P51.5Low39.3Very low113 Ų113132.9 Ų132.973%0.73478%0.782SS**  cis-122.8-98.9-19.722.15.1000118.4
514P58.7Low38.4Very low109 Ų109132.8 Ų132.871%0.70879%0.791SS**  trans-132.8164.7-133.942.3-23.6000119.1
515L31.6Very low37.4Very low162 Ų162131.7 Ų131.785%0.84879%0.792SS**  -173.3174.5128-103.5172.8000113.4
516Q34.4Very low36.6Very low180 Ų180131.5 Ų131.584%0.84180%0.8SS**  trans-83.9149.6-162.1-58.3158.7-1900116
517A33.4Very low35.8Very low105 Ų105131.1 Ų131.187%0.86881%0.806SS**  trans-166.3153.6141.500000112.6
518K33Very low35.9Very low197 Ų197127.4 Ų127.486%0.85781%0.808SS**  trans-143.3125174.217678.5167.9-171.60108.2
519P40.8Very low36.2Very low125 Ų125125.2 Ų125.281%0.81281%0.809SS**  -143.9-177.3127.834.1-16.6000115
520R33.5Very low36.9Very low249 Ų249124.1 Ų124.194%0.9481%0.814SS**  trans-81.6144.1-167.7172.2171.670.6176.44.3114.5
521G28.2Very low37.6Very low75 Ų75122 Ų12277%0.77382%0.815SS**  trans173.2132.4165.200000112
522G29.8Very low38.4Very low89 Ų89123.9 Ų123.992%0.91882%0.82SS**  trans-95172.8-173.300000115.3
523G29.8Very low37.9Very low81 Ų81126.5 Ų126.584%0.83583%0.826SS**  trans165.9145.4176.400000112
524A34.8Very low37.2Very low111 Ų111129.7 Ų129.792%0.91783%0.831SS**  trans-90146.1-170.700000114.7
525A31.2Very low36.3Very low93 Ų93132.4 Ų132.477%0.76984%0.838SS**  trans-154.3118.9158.300000106.9
526A33.3Very low36.2Very low107 Ų107133.2 Ų133.288%0.88484%0.835SS**  68.7105.873.700000112.8
527A35.7Very low36.5Very low105 Ų105131 Ų13187%0.86883%0.833SS**  trans-127142.4173.200000109.9
528T33.3Very low36.4Very low142 Ų142131 Ų13187%0.87182%0.823SS**PPolyproline II helixtrans-93.4136.6-159.5-520000113.6
529A37.4Very low36.4Very low84 Ų84127.3 Ų127.369%0.69482%0.818SS**PPolyproline II helixtrans-89.8147171.500000112.6
530P49.6Very low35.8Very low117 Ų117127 Ų12776%0.7682%0.82SS**PPolyproline II helixtrans-73.3161173.731.3-34.9000112.8
531P49.7Very low35.7Very low121 Ų121121.1 Ų121.179%0.78682%0.817SS**PPolyproline II helixtrans-85.8145.9-163.132.8-36.5000115.1
532P48.4Very low35.9Very low116 Ų116129.5 Ų129.575%0.75383%0.825SS**PPolyproline II helixtrans-80150.216933.3-34.4000112.5
533L38.7Very low35.9Very low176 Ų176134.5 Ų134.592%0.92182%0.824SS**PPolyproline II helixtrans-73.7134.5174.9-65171.1000111
534Q35.4Very low36.2Very low179 Ų179139.3 Ų139.384%0.83683%0.825SS**  trans-91.8115.4-176.8-64.4-176.60.100112.1
535I39.5Very low35.9Very low166 Ų166141.3 Ų141.385%0.85182%0.82SS**  trans-99.7121.3159.1-61178.3000107.3
536K29.8Very low36.2Very low180 Ų180141.8 Ų141.878%0.78382%0.818SS**  trans-110.198.8-166.8-176.1174.9178.4176.10111.2
537V40.9Very low36Very low133 Ų133140.2 Ų140.281%0.80681%0.812SS**  trans-95.2138.9169.9-176.70000109
538V30.9Very low35.8Very low106 Ų106141.8 Ų141.864%0.64281%0.811SS**  trans-114.8123.6-173.9176.90000110.2
539P34.8Very low36.5Very low118 Ų118140 Ų14077%0.76680%0.802SS**PPolyproline II helixtrans-82.6141.2165.733.3-31.8000110.6
540S27.8Very low36.1Very low120 Ų120142.7 Ų142.784%0.83980%0.803SS**PPolyproline II helixtrans-94.9134.5179.2-65.80000112.3
541S31.6Very low35.2Very low125 Ų125143.9 Ų143.987%0.87480%0.802SS**PPolyproline II helixtrans-78.2147-177.6-56.80000113.8
542R31.8Very low34.2Very low250 Ų250144 Ų14494%0.94380%0.8SS**PPolyproline II helixtrans-91.1136.9171.4-179.8178177.1174.6-0.3109.9
543Q30.6Very low33.2Very low194 Ų194145 Ų14591%0.90780%0.804SS**  trans-120.3163.8175.6-161.5167.2-3.200111
544Q34.3Very low32.7Very low183 Ų183141.1 Ų141.186%0.85580%0.798SS**  trans-148.3131.7-157.1172.3-173.138.900110.9
545D29.3Very low32.3Very low153 Ų153137.3 Ų137.382%0.81880%0.796SS**  trans-174.2159.2166.8-150.2-105.1000108.8
546S36.9Very low31.8Very low103 Ų103133 Ų13372%0.7279%0.793SS**  cis-155.4168.1-48.663.10000108.7
547G29.3Very low31.7Very low74 Ų74132.1 Ų132.176%0.76380%0.797SS**  trans144.5124.8169.100000116.9
548T31Very low31.1Very low137 Ų137130.2 Ų130.284%0.8480%0.795SS**  trans-136.1-171.5173.862.20000108
549P49.9Very low31Very low106 Ų106128.6 Ų128.669%0.68880%0.8SS**  cis-136.2-168.9-2.929.2-3.7000114.6
550I28.6Very low30.7Very low139 Ų139130.1 Ų130.171%0.71380%0.801SS**  153.2109.3128.7-80.1172.3000116.5
551I29.7Very low30.7Very low143 Ų143129.7 Ų129.773%0.73379%0.794SS**  trans72.1110.4133.9-62-177.3000124.5
552V28.5Very low30.6Very low123 Ų123130.8 Ų130.875%0.74579%0.789SS**  58132.8126-171.40000120.2
553T27Very low30.4Very low137 Ų137125.1 Ų125.184%0.8478%0.783SS**  -168.6160.184-49.10000114.4
554A29.3Very low30.3Very low95 Ų95120.8 Ų120.879%0.78577%0.774SS**  trans-88.2-171.2177.200000113.2
555A27.8Very low31.1Very low98 Ų98117.3 Ų117.381%0.8177%0.767SS**  cis-147.6176.27.700000110.1
556G27.6Very low31.3Very low76 Ų76116 Ų11678%0.78477%0.77SS**  78.3140.775.700000113
557D27.5Very low30.9Very low162 Ų162114.5 Ų114.587%0.86677%0.77SS**  cis-167168.9-3.2-179.4-128000110.6
558A29.3Very low30.7Very low92 Ų92117.8 Ų117.876%0.7678%0.775SS**  trans62.9162.3168.200000119.5
559G27.5Very low30.4Very low72 Ų72116.9 Ų116.974%0.74277%0.77SS**  cis166.6159.5-11.800000115.3
560N29.2Very low29.5Very low150 Ų150117.6 Ų117.680%0.80277%0.772SS**  trans74.8109.8159.2-85.925.4000125.3
561T27.9Very low29.4Very low111 Ų111119.1 Ų119.168%0.68178%0.776SS**  59135.3126.960.60000123.8
562L30.5Very low29.4Very low149 Ų149118.6 Ų118.678%0.7878%0.779SS**  149.4150.191.5-130.3153.6000114.6
563T26.2Very low29.2Very low131 Ų131116.1 Ų116.180%0.80478%0.779SS**  trans94144.3153.9-8.60000121.1
564S28.7Very low29.5Very low102 Ų102118.6 Ų118.671%0.71378%0.781SS**  trans-138.3163.1176.5-167.30000107.7
565P50.7Low30.7Very low111 Ų111119.1 Ų119.172%0.72178%0.776SS**  -164.2172.191.243-22.3000119.3
566S33.3Very low30.6Very low126 Ų126121.5 Ų121.588%0.88178%0.775SS**  trans61.6155.6149.7-59.90000121.6
567G28.4Very low30.9Very low70 Ų70121.2 Ų121.272%0.72277%0.765SS**  cis159.1169.5-8.900000114.4
568V26.6Very low30.9Very low144 Ų144119.8 Ų119.887%0.87376%0.763SS**  trans82.3163.6164.8177.60000118.6
569T25.2Very low31.1Very low118 Ų118120.6 Ų120.672%0.72476%0.758SS**  -164.9169.2-117.439.90000115.9
570V29.6Very low31.6Very low121 Ų121125.1 Ų125.173%0.73376%0.762SS**  trans95.1135.2140.8138.70000123.1
571E27.1Very low31.8Very low170 Ų170122.5 Ų122.579%0.79476%0.76SS**  trans57.9161.1154.6-79.3-171.469.900123.6
572V29.8Very low31.8Very low132 Ų132120.8 Ų120.880%0.877%0.765SS**  cis-166.9162.1-34.8101.20000110
573G24.6Very low31.9Very low72 Ų72123 Ų12374%0.74277%0.771SS**  trans155.6130159.100000119
574Q32.6Very low31.9Very low189 Ų189125.9 Ų125.988%0.88378%0.776SS**  trans-152.5155166.8-139.7-175.516.800108.5
575P55.5Low32.1Very low105 Ų105127.8 Ų127.868%0.68278%0.783SS**  -142.3-16485.339.3-19.1000111.7
576D25.5Very low31.1Very low148 Ų148127.2 Ų127.279%0.79179%0.787SS**  cis-154.5-175.822.2-142.6-68.2000114.2
577A32.6Very low30.8Very low70 Ų70130.2 Ų130.258%0.57979%0.788SS**  trans-66.7173.5-161.400000117.2
578V29.1Very low30.9Very low133 Ų133131.2 Ų131.281%0.80679%0.789SS**  cis-151.7151.844.1-122.90000110.2
579V33.2Very low31.1Very low109 Ų109133.4 Ų133.466%0.66179%0.789SS**  cis76127.328169.10000112.6
580M37Very low31.6Very low167 Ų167136.8 Ų136.882%0.82380%0.797SS**  cis-166.4174.64.3-122.631.817900107.8
581A33.2Very low31.6Very low94 Ų94134.2 Ų134.278%0.77780%0.795SS**  cis-176.4169.6-35.700000109.9
582G28.2Very low32Very low75 Ų75134.2 Ų134.277%0.77380%0.797SS**  trans142.9127.317200000112.5
583E32.3Very low32.3Very low196 Ų196136.6 Ų136.692%0.91680%0.799SS**  cis99105.519.2-167.4-179.9132.800115.3
584E26.4Very low32.8Very low192 Ų192138.8 Ų138.890%0.89780%0.798SS**  -171.5175.5126.159.3-169.9138.600111.6
585V33.7Very low33.3Very low142 Ų142139.2 Ų139.286%0.86180%0.8SS**  trans-143.1137.9-167.3-1800000111.3
586A29.9Very low32.1Very low99 Ų99139.4 Ų139.482%0.81880%0.799SS**  trans-152.9157.1165.900000112.2
587E27.1Very low32.9Very low189 Ų189140 Ų14088%0.88380%0.802SS**  trans-108.7171.6178.5-63.5177.479.400112.3
588A29.1Very low32.8Very low90 Ų90141.9 Ų141.974%0.74481%0.806SS**  trans90.9159.5138.200000121.8
589E31.3Very low32.8Very low190 Ų190141.1 Ų141.189%0.88880%0.802SS**  trans79.6150.2163.6-65.5-68.577.700121.6
590E35.8Very low32.9Very low190 Ų190142 Ų14289%0.88881%0.81SS**  trans-100.7149.7-167.8176.4-176.5116.500111.7
591G30.4Very low32.6Very low66 Ų66136.8 Ų136.868%0.6880%0.799SS**  trans106.8-178.9145.800000118.4
592M33.8Very low32.9Very low171 Ų171138.5 Ų138.584%0.84280%0.802SS**  trans67.693.6-179-153143.9-146.900117.2
593E37.9Very low33Very low181 Ų181140 Ų14085%0.84680%0.801SS**  trans-49.9138.1154.663.1-140.910500112.8
594V34.3Very low33.1Very low119 Ų119137.6 Ų137.672%0.72180%0.799SS**  trans-136.6110.2165.9-74.40000110.1V596V594-V596 HydrophobicContact CB-CG2 4.43Å; V594-V596 PolarHBondContact O-N 3.38Å
595E42.4Very low33.6Very low197 Ų197134.2 Ų134.292%0.92179%0.792SS**  trans-74.9111.2174.8-170.7-173.7146.100109.7
596V31.3Very low33.8Very low109 Ų109131.4 Ų131.466%0.66178%0.783SS**  trans-132.2103.8176.1-164.90000110.1V594 V598V594-V596 HydrophobicContact CB-CG2 4.43Å; V594-V596 PolarHBondContact O-N 3.38Å; V596-V598 HydrophobicContact CG1-CG2 3.91Å; V596-V598 PolarHBondContact O-N 3.36Å
597N42.8Very low34.5Very low161 Ų161131.8 Ų131.886%0.86179%0.786SS**  trans-71.3110.7176.9-179.214.4000110.8
598V30.7Very low35.7Very low110 Ų110129.9 Ų129.967%0.66778%0.777SS**  trans-134.8131.7177.1-174.20000111.9V596V596-V598 HydrophobicContact CG1-CG2 3.91Å; V596-V598 PolarHBondContact O-N 3.36Å
599T28.6Very low37.1Very low117 Ų117129.2 Ų129.272%0.71877%0.772SS**  trans-14.8140.1157-48.50000116.2G601T599-G601 PolarHBondContact O-N 3.05Å
600P35.1Very low39.1Very low128 Ų128124.9 Ų124.983%0.83176%0.76SS**  trans-60.8101.1178.826-36.1000112.6
601G29.8Very low41.4Very low56 Ų56119.9 Ų119.958%0.57774%0.74SS**PPolyproline II helixtrans-66.1160.5161.200000111.1T599 S603T599-G601 PolarHBondContact O-N 3.05Å; G601-S603 PolarHBondContact O-N 3.5Å; G601-S603 VanDerWaalsContact O-N 3.15Å
602P40.3Very low44.3Very low131 Ų131121.3 Ų121.385%0.85173%0.731SS**PPolyproline II helixtrans-61.4120.8-177.725.9-34.1000110.3V604P602-V604 PolarHBondContact O-N 2.9Å; P602-V604 VanDerWaalsContact O-N 3.13Å
603S30.2Very low47.2Very low107 Ų107113.4 Ų113.475%0.74869%0.692SS**PPolyproline II helixtrans-56.2118.9173.754.80000109.3G601 T605G601-S603 PolarHBondContact O-N 3.5Å; G601-S603 VanDerWaalsContact O-N 3.15Å; S603-T605 PolarHBondContact O-N 3.26Å
604V33.7Very low49.8Very low144 Ų144108.2 Ų108.287%0.87367%0.673SS**  trans-54.5111175.2-81.10000109.6P602 A606P602-V604 PolarHBondContact O-N 2.9Å; P602-V604 VanDerWaalsContact O-N 3.13Å; V604-A606 PolarHBondContact O-N 2.88Å
605T38.3Very low52.5Low122 Ų122105.3 Ų105.375%0.74865%0.649SS**  trans-61.3108.6-179.3-43.90000108.4S603 A607S603-T605 PolarHBondContact O-N 3.26Å; T605-A607 PolarHBondContact O-N 3.4Å
606A37.5Very low54.6Low83 Ų83100.1 Ų100.169%0.68664%0.64SS**  trans-51.2127.1167.400000107.5V604 Q608V604-A606 PolarHBondContact O-N 2.88Å; A606-Q608 VanDerWaalsContact C-N 3.26Å; A606-Q608 PolarHBondContact O-N 2.97Å
607A44.3Very low57.3Low106 Ų10699 Ų9988%0.87665%0.651SS**  trans-67.284.8-169.900000110.7T605 A609T605-A607 PolarHBondContact O-N 3.4Å; A607-A609 PolarHBondContact O-N 3.41Å
608Q51.7Low59.6Low149 Ų14992.4 Ų92.470%0.69662%0.617SS**  trans-56.8128.4172-66.2-1760.100107.3A606A606-Q608 VanDerWaalsContact C-N 3.26Å; A606-Q608 PolarHBondContact O-N 2.97Å
609A59.7Low62.5Low76 Ų7693.9 Ų93.963%0.62862%0.621SS**  trans-52.4137.2167.500000107.8A607 N611A607-A609 PolarHBondContact O-N 3.41Å; A609-N611 PolarHBondContact O-N 3.28Å
610P71.7Confident65.5Low100 Ų10094.3 Ų94.365%0.64961%0.613SS**  trans-58.6115.2-178.223.9-33.2000108.4I612P610-I612 WeakPolarHBondContact O-CG1 3.48Å; P610-I612 PolarHBondContact O-N 2.85Å
611N84.7Confident68.2Low84 Ų8492.3 Ų92.345%0.44960%0.6SS.*  trans-62.2108175-65.7-61000107A609 P621 A622A609-N611 PolarHBondContact O-N 3.28Å; N611-P621 CarbonylContact O-C 3.52Å; N611-P621 WeakPolarHBondContact O-CA 3.24Å; N611-A622 PolarHBondContact O-N 3.1Å
612I91.8Very high71.2Confident96 Ų9690.5 Ų90.549%0.49258%0.579SS.*BIsolated β-bridgetrans-88.8145.1179.5-70.1160.4000108.2P610 V614 C618P610-I612 WeakPolarHBondContact O-CG1 3.48Å; P610-I612 PolarHBondContact O-N 2.85Å; I612-V614 PolarHBondContact O-N 3.39Å; I612-C618 VanDerWaalsContact CG2-O 3.3Å; I612-C618 WeakPolarHBondContact CG2-O 3.34Å
613C93.9Very high73.6Confident5 Ų587.4 Ų87.43%0.03456%0.558CS.*  trans-50.2125.9176.8-173.60000112.3R615 C618 K620 E631 C633C613-R615 PolarHBondContact O-N 3.29Å; C613-C618 HydrophobicContact CB-CB 3.94Å; C613-K620 WeakPolarHBondContact CB-O 3.36Å; C613-K620 PolarHBondContact N-O 3.27Å; C613-E631 CarbonylContact C-O 3.59Å; C613-E631 WeakPolarHBondContact CA-O 3.31Å; C613-C633 HydrophobicContact CB-CB 3.97Å; C613-C633 PolarHBondContact SG-N 2.92Å; C613-C633 VanDerWaalsContact SG-N 3.43Å; C613-C633 VanDerWaalsContact SG-SG 3.66Å
614V92.9Very high76.4Confident73 Ų7389.5 Ų89.544%0.44256%0.556SS.*SBendtrans-59.4-19.2179.71700000112.8I612 A616 E631 Y632I612-V614 PolarHBondContact O-N 3.39Å; V614-A616 PolarHBondContact O-N 2.94Å; V614-A616 VanDerWaalsContact O-N 3.11Å; V614-E631 HydrophobicContact CG2-CB 3.98Å; V614-E631 HydrophobicContact CG2-CG 4.41Å; V614-E631 WeakPolarHBondContact CG2-O 3.45Å; V614-E631 PolarHBondContact N-O 3.43Å; V614-Y632 HydrophobicContact CB-CE1 4.03Å; V614-Y632 HydrophobicContact CG1-CE1 4.35Å
615R90.6Very high78.9Confident57 Ų5784 Ų8422%0.21552%0.524CS..SBendtrans-60.6113.4172.7175168.2-174.865.811.6111.1C613 G617 C618 C637 T640 H641 D644C613-R615 PolarHBondContact O-N 3.29Å; R615-G617 PolarHBondContact O-N 2.98Å; R615-C618 HydrophobicContact CB-CB 3.93Å; R615-C618 HydrophobicContact CG-CB 4.06Å; R615-C618 VanDerWaalsContact O-CB 3.23Å; R615-C618 WeakPolarHBondContact O-CB 3.41Å; R615-C618 PolarHBondContact O-N 2.91Å; R615-C637 HydrophobicContact CB-CB 4.15Å; R615-T640 VanDerWaalsContact CZ-CG2 3.47Å; R615-T640 PolarHBondContact NH1-O 2.84Å; R615-H641 HydrophobicContact CB-CB 4.49Å; R615-D644 IonicContact CZ-OD2 2.91Å; R615-D644 IonicContact NH1-OD2 3.11Å; R615-D644 PolarHBondContact NH1-OD2 2.99Å; R615-D644 IonicContact NH2-OD2 2.74Å; R615-D644 PolarHBondContact NH2-OD2 3.02Å; R615-D644 VanDerWaalsContact NH2-OD2 3.11Å
616A87.4Confident81.3Confident88 Ų8887.7 Ų87.773%0.72753%0.532SS*.THydrogen-bonded Turntrans-48.9129170.600000111.9V614 C618V614-A616 PolarHBondContact O-N 2.94Å; V614-A616 VanDerWaalsContact O-N 3.11Å; A616-C618 VanDerWaalsContact C-N 3.32Å
617G88.3Confident83.7Confident87 Ų8790.2 Ų90.290%0.89753%0.534SS*.THydrogen-bonded Turntrans82.5-3.4-17500000115.4R615R615-G617 PolarHBondContact O-N 2.98Å
618C91.4Very high85.6Confident21 Ų2186.8 Ų86.814%0.14250%0.499CS..  trans-97114.9172.6-165.60000111I612 C613 R615 A616 C633I612-C618 VanDerWaalsContact CG2-O 3.3Å; I612-C618 WeakPolarHBondContact CG2-O 3.34Å; C613-C618 HydrophobicContact CB-CB 3.94Å; R615-C618 HydrophobicContact CB-CB 3.93Å; R615-C618 HydrophobicContact CG-CB 4.06Å; R615-C618 VanDerWaalsContact O-CB 3.23Å; R615-C618 WeakPolarHBondContact O-CB 3.41Å; R615-C618 PolarHBondContact O-N 2.91Å; A616-C618 VanDerWaalsContact C-N 3.32Å; C618-C633 PolarHBondContact SG-SG 3.16Å
619N91.3Very high87.2Confident141 Ų14186.4 Ų86.475%0.75450%0.501SS*.  trans-97.912178.169.5-42.9000113.7
620K91.3Very high88.7Confident127 Ų12786.7 Ų86.755%0.55249%0.489SS*.SBendtrans-78.2145.8177.5-67.5178-180-690110.3C613 C633C613-K620 WeakPolarHBondContact CB-O 3.36Å; C613-K620 PolarHBondContact N-O 3.27Å; K620-C633 HydrophobicContact CB-CB 3.62Å; K620-C633 HydrophobicContact CD-CB 4.44Å
621P91.4Very high89.6Confident85 Ų8586.6 Ų86.655%0.55248%0.479SS*.BIsolated β-bridgetrans-60.9139.6169.228.7-34.8000109.7N611 C633N611-P621 CarbonylContact O-C 3.52Å; N611-P621 WeakPolarHBondContact O-CA 3.24Å; P621-C633 WeakPolarHBondContact O-CB 3.38Å
622A92.9Very high90.1Very high18 Ų1883.5 Ų83.515%0.14946%0.462CS..PPolyproline II helixtrans-71150.7173.100000111N611 K630N611-A622 PolarHBondContact O-N 3.1Å; A622-K630 WeakPolarHBondContact CB-O 3.34Å
623V91.1Very high90.2Very high66 Ų6679.9 Ų79.940%0.444%0.444SS..  trans-112.3145.4-176.3-60.40000111S625 W628 K630 Y632V623-S625 PolarHBondContact O-N 3.33Å; V623-W628 HydrophobicContact CG2-CZ2 4.27Å; V623-W628 PolarHBondContact O-NE1 3.2Å; V623-K630 WeakPolarHBondContact O-CA 3.47Å; V623-Y632 WeakPolarHBondContact CG2-O 3.28Å; V623-Y632 PolarHBondContact N-O 3.06Å
624E89.1Confident90.1Very high152 Ų15281.5 Ų81.571%0.7146%0.456SS*.  trans-65.8126.1173-168.6148.8-15000109.8K630E624-K630 HydrophobicContact CB-CG 4.08Å; E624-K630 VanDerWaalsContact CG-CE 3.43Å; E624-K630 HydrophobicContact CG-CG 4.37Å; E624-K630 WeakPolarHBondContact OE1-CE 3.47Å; E624-K630 IonicContact OE1-NZ 2.87Å; E624-K630 PolarHBondContact OE1-NZ 2.93Å; E624-K630 WeakPolarHBondContact OE2-CE 3.47Å; E624-K630 IonicContact OE2-NZ 3.4Å; E624-K630 PolarHBondContact OE2-NZ 2.94Å
625S86.1Confident90.2Very high28 Ų2882.9 Ų82.920%0.19646%0.461CS..  trans-156137.2-178.8-174.60000108.8V623 D627 W628 D629V623-S625 PolarHBondContact O-N 3.33Å; S625-D627 PolarHBondContact O-N 2.86Å; S625-W628 PolarHBondContact O-N 2.92Å; S625-W628 WeakPolarHBondContact OG-CH2 3.45Å; S625-W628 WeakPolarHBondContact OG-CZ2 3.45Å; S625-D629 PolarHBondContact O-N 3.17Å
626E88.6Confident90.4Very high200 Ų20087.3 Ų87.394%0.93548%0.484SS*.THydrogen-bonded Turntrans-64-20.4-179.6-163.8169.4111.700112.7
627D88.3Confident90.7Very high136 Ų13683.8 Ų83.873%0.72745%0.454SS*.THydrogen-bonded Turntrans-84.6-19.1177.2-68.4-62.3000114.5S625S625-D627 PolarHBondContact O-N 2.86Å
628W84.4Confident91Very high34 Ų3480.9 Ų80.913%0.12942%0.419CS..THydrogen-bonded Turntrans-156.220.9-16966.571.9000117.6V623 S625 K630 E631 Y632 N635 V638V623-W628 HydrophobicContact CG2-CZ2 4.27Å; V623-W628 PolarHBondContact O-NE1 3.2Å; S625-W628 PolarHBondContact O-N 2.92Å; S625-W628 WeakPolarHBondContact OG-CH2 3.45Å; S625-W628 WeakPolarHBondContact OG-CZ2 3.45Å; W628-K630 VanDerWaalsContact C-N 3.33Å; W628-K630 PolarHBondContact O-N 3.27Å; W628-E631 WeakPolarHBondContact O-CB 3.49Å; W628-E631 PolarHBondContact O-N 3.29Å; W628-Y632 HydrophobicContact CB-CD2 3.85Å; W628-Y632 HydrophobicContact CB-CE2 4.3Å; W628-Y632 AromaticContact CD1-CD2 3.9Å; W628-Y632 AromaticContact CG-CD2 3.9Å; W628-Y632 HydrophobicContact CG-CD2 3.9Å; W628-Y632 PolarHBondContact NE1-O 3Å; W628-Y632 VanDerWaalsContact NE1-O 3.14Å; W628-N635 HydrophobicContact CH2-CB 3.96Å; W628-N635 HydrophobicContact CZ3-CB 4.22Å; W628-V638 HydrophobicContact CD2-CG2 3.72Å; W628-V638 HydrophobicContact CE3-CG2 3.75Å; W628-V638 HydrophobicContact CG-CG2 4.09Å; W628-V638 HydrophobicContact CZ3-CG2 4.33Å
629D85Confident91.2Very high140 Ų14082.2 Ų82.275%0.74943%0.431SS*.THydrogen-bonded Turntrans43.444.1158.9-72.9-48.9000117.2S625 E631S625-D629 PolarHBondContact O-N 3.17Å; D629-E631 VanDerWaalsContact C-N 3.33Å; D629-E631 PolarHBondContact O-N 3.41Å
630K89.7Confident91.4Very high83 Ų8376.9 Ų76.936%0.36140%0.404SS..THydrogen-bonded Turntrans6624.6178.9-51.6170.2-172.7-1760115.1A622 V623 E624 W628A622-K630 WeakPolarHBondContact CB-O 3.34Å; V623-K630 WeakPolarHBondContact O-CA 3.47Å; E624-K630 HydrophobicContact CB-CG 4.08Å; E624-K630 VanDerWaalsContact CG-CE 3.43Å; E624-K630 HydrophobicContact CG-CG 4.37Å; E624-K630 WeakPolarHBondContact OE1-CE 3.47Å; E624-K630 IonicContact OE1-NZ 2.87Å; E624-K630 PolarHBondContact OE1-NZ 2.93Å; E624-K630 WeakPolarHBondContact OE2-CE 3.47Å; E624-K630 IonicContact OE2-NZ 3.4Å; E624-K630 PolarHBondContact OE2-NZ 2.94Å; W628-K630 VanDerWaalsContact C-N 3.33Å; W628-K630 PolarHBondContact O-N 3.27Å
631E91.9Very high91.6Very high97 Ų9773 Ų7345%0.45339%0.387SS..SBendtrans-85.5-27.3173.3-67.7-165.2152.600114.1C613 V614 W628 D629C613-E631 CarbonylContact C-O 3.59Å; C613-E631 WeakPolarHBondContact CA-O 3.31Å; V614-E631 HydrophobicContact CG2-CB 3.98Å; V614-E631 HydrophobicContact CG2-CG 4.41Å; V614-E631 WeakPolarHBondContact CG2-O 3.45Å; V614-E631 PolarHBondContact N-O 3.43Å; W628-E631 WeakPolarHBondContact O-CB 3.49Å; W628-E631 PolarHBondContact O-N 3.29Å; D629-E631 VanDerWaalsContact C-N 3.33Å; D629-E631 PolarHBondContact O-N 3.41Å
632Y94.4Very high91.7Very high20 Ų2072.3 Ų72.38%0.07838%0.384CS..  trans-131.6149.1-172.3-52.3-93.8000113.2V614 V623 W628 V638 H641V614-Y632 HydrophobicContact CB-CE1 4.03Å; V614-Y632 HydrophobicContact CG1-CE1 4.35Å; V623-Y632 WeakPolarHBondContact CG2-O 3.28Å; V623-Y632 PolarHBondContact N-O 3.06Å; W628-Y632 HydrophobicContact CB-CD2 3.85Å; W628-Y632 HydrophobicContact CB-CE2 4.3Å; W628-Y632 AromaticContact CD1-CD2 3.9Å; W628-Y632 AromaticContact CG-CD2 3.9Å; W628-Y632 HydrophobicContact CG-CD2 3.9Å; W628-Y632 PolarHBondContact NE1-O 3Å; W628-Y632 VanDerWaalsContact NE1-O 3.14Å; Y632-V638 HydrophobicContact CD1-CG2 4.13Å; Y632-V638 HydrophobicContact CD2-CG2 3.63Å; Y632-V638 HydrophobicContact CE2-CG2 4.39Å; Y632-V638 HydrophobicContact CG-CB 4.34Å; Y632-V638 HydrophobicContact CG-CG2 3.5Å; Y632-V638 VanDerWaalsContact CG-CG2 3.5Å; Y632-H641 HydrophobicContact CE1-CB 3.9Å; Y632-H641 AromaticContact CE1-CD2 3.75Å; Y632-H641 AromaticContact CE1-CG 3.93Å; Y632-H641 AromaticContact CZ-CD2 3.94Å; Y632-H641 PolarHBondContact OH-CD2 3.46Å; Y632-H641 VanDerWaalsContact OH-CD2 3.29Å
633C93.4Very high91.9Very high19 Ų1978.7 Ų78.713%0.12840%0.404CS..SBendtrans-85.1-15.7179.767.90000114.5C613 C618 K620 P621 C637C613-C633 HydrophobicContact CB-CB 3.97Å; C613-C633 PolarHBondContact SG-N 2.92Å; C613-C633 VanDerWaalsContact SG-N 3.43Å; C613-C633 VanDerWaalsContact SG-SG 3.66Å; C618-C633 PolarHBondContact SG-SG 3.16Å; K620-C633 HydrophobicContact CB-CB 3.62Å; K620-C633 HydrophobicContact CD-CB 4.44Å; P621-C633 WeakPolarHBondContact O-CB 3.38Å; C633-C637 PolarHBondContact SG-SG 2.86Å
634S93.6Very high92.1Very high40 Ų4079 Ų7928%0.2840%0.404SS..SBendtrans-162.6155.417869.50000111E636 C637 V638S634-E636 PolarHBondContact O-N 2.68Å; S634-C637 WeakPolarHBondContact O-CA 3.47Å; S634-C637 WeakPolarHBondContact O-CB 3.41Å; S634-C637 PolarHBondContact O-N 3.11Å; S634-C637 PolarHBondContact OG-N 3.33Å; S634-C637 PolarHBondContact OG-SG 3.14Å; S634-C637 VanDerWaalsContact OG-SG 3.4Å; S634-V638 PolarHBondContact O-N 3.16Å; S634-V638 VanDerWaalsContact O-N 3.16Å
635N93.9Very high92.4Very high102 Ų10275.6 Ų75.655%0.54539%0.393SS..Hα-helixtrans-58.1-35.3174.2-168.5-43.7000111.7W628 C637 V638 A639W628-N635 HydrophobicContact CH2-CB 3.96Å; W628-N635 HydrophobicContact CZ3-CB 4.22Å; N635-C637 VanDerWaalsContact C-N 3.28Å; N635-C637 PolarHBondContact O-N 3.46Å; N635-V638 WeakPolarHBondContact O-CB 3.18Å; N635-V638 PolarHBondContact O-N 2.98Å; N635-V638 VanDerWaalsContact O-N 3.14Å; N635-A639 WeakPolarHBondContact O-CB 3.48Å; N635-A639 PolarHBondContact O-N 3.2Å
636E94.3Very high92.8Very high149 Ų14979.6 Ų79.670%0.69641%0.407SS*.Hα-helixtrans-58.4-38.4172.2-170.8-171161.800112.6S634 T640S634-E636 PolarHBondContact O-N 2.68Å; E636-T640 VanDerWaalsContact O-CB 3.31Å; E636-T640 WeakPolarHBondContact O-CB 3.49Å; E636-T640 PolarHBondContact O-N 3.05Å; E636-T640 PolarHBondContact O-OG1 3.3Å
637C94.5Very high93.1Very high14 Ų1474.9 Ų74.910%0.09539%0.386CS..Hα-helixtrans-70.7-36.8175.8-69.50000112.4R615 C633 S634 N635 H641R615-C637 HydrophobicContact CB-CB 4.15Å; C633-C637 PolarHBondContact SG-SG 2.86Å; S634-C637 WeakPolarHBondContact O-CA 3.47Å; S634-C637 WeakPolarHBondContact O-CB 3.41Å; S634-C637 PolarHBondContact O-N 3.11Å; S634-C637 PolarHBondContact OG-N 3.33Å; S634-C637 PolarHBondContact OG-SG 3.14Å; S634-C637 VanDerWaalsContact OG-SG 3.4Å; N635-C637 VanDerWaalsContact C-N 3.28Å; N635-C637 PolarHBondContact O-N 3.46Å; C637-H641 WeakPolarHBondContact O-CB 3.4Å; C637-H641 PolarHBondContact O-N 3.42Å
638V95.1Very high93.4Very high27 Ų2771 Ų7116%0.16437%0.373CS..Hα-helixtrans-59.1-61.3170.8-175.20000109.4W628 Y632 S634 N635 T640 H641 C642W628-V638 HydrophobicContact CD2-CG2 3.72Å; W628-V638 HydrophobicContact CE3-CG2 3.75Å; W628-V638 HydrophobicContact CG-CG2 4.09Å; W628-V638 HydrophobicContact CZ3-CG2 4.33Å; Y632-V638 HydrophobicContact CD1-CG2 4.13Å; Y632-V638 HydrophobicContact CD2-CG2 3.63Å; Y632-V638 HydrophobicContact CE2-CG2 4.39Å; Y632-V638 HydrophobicContact CG-CB 4.34Å; Y632-V638 HydrophobicContact CG-CG2 3.5Å; Y632-V638 VanDerWaalsContact CG-CG2 3.5Å; S634-V638 PolarHBondContact O-N 3.16Å; S634-V638 VanDerWaalsContact O-N 3.16Å; N635-V638 WeakPolarHBondContact O-CB 3.18Å; N635-V638 PolarHBondContact O-N 2.98Å; N635-V638 VanDerWaalsContact O-N 3.14Å; V638-T640 VanDerWaalsContact C-N 3.27Å; V638-T640 PolarHBondContact O-N 3.11Å; V638-H641 PolarHBondContact O-N 3.14Å; V638-C642 PolarHBondContact O-N 2.91Å; V638-C642 PolarHBondContact O-SG 2.74Å
639A95.1Very high93.9Very high48 Ų4875.3 Ų75.340%0.39739%0.389SS..Hα-helixtrans-57.3-38.2-175.500000112.9N635 R643N635-A639 WeakPolarHBondContact O-CB 3.48Å; N635-A639 PolarHBondContact O-N 3.2Å; A639-R643 WeakPolarHBondContact O-CB 2.98Å; A639-R643 PolarHBondContact O-N 3.11Å; A639-R643 VanDerWaalsContact O-N 3.1Å
640T94.9Very high94.3Very high29 Ų2970.9 Ų70.918%0.17837%0.369CS..Hα-helixtrans-78.3-35.4177.9-43.80000111.7R615 E636 V638 R643 D644R615-T640 VanDerWaalsContact CZ-CG2 3.47Å; R615-T640 PolarHBondContact NH1-O 2.84Å; E636-T640 VanDerWaalsContact O-CB 3.31Å; E636-T640 WeakPolarHBondContact O-CB 3.49Å; E636-T640 PolarHBondContact O-N 3.05Å; E636-T640 PolarHBondContact O-OG1 3.3Å; V638-T640 VanDerWaalsContact C-N 3.27Å; V638-T640 PolarHBondContact O-N 3.11Å; T640-R643 WeakPolarHBondContact O-CB 3.09Å; T640-R643 PolarHBondContact O-N 3.05Å; T640-D644 PolarHBondContact O-N 2.93Å
641H95.1Very high94.5Very high45 Ų4569.8 Ų69.821%0.20838%0.375CS..Hα-helixtrans-62.9-45.3171.8-179.669.1000111.5R615 Y632 C637 V638 R643 D644 V645R615-H641 HydrophobicContact CB-CB 4.49Å; Y632-H641 HydrophobicContact CE1-CB 3.9Å; Y632-H641 AromaticContact CE1-CD2 3.75Å; Y632-H641 AromaticContact CE1-CG 3.93Å; Y632-H641 AromaticContact CZ-CD2 3.94Å; Y632-H641 PolarHBondContact OH-CD2 3.46Å; Y632-H641 VanDerWaalsContact OH-CD2 3.29Å; C637-H641 WeakPolarHBondContact O-CB 3.4Å; C637-H641 PolarHBondContact O-N 3.42Å; V638-H641 PolarHBondContact O-N 3.14Å; H641-R643 VanDerWaalsContact C-N 3.28Å; H641-R643 PolarHBondContact O-N 3.32Å; H641-D644 PolarHBondContact O-N 2.93Å; H641-D644 VanDerWaalsContact O-N 3.16Å; H641-V645 WeakPolarHBondContact O-CG2 2.93Å; H641-V645 PolarHBondContact O-N 3.13Å
642C95Very high94.4Very high71 Ų7170.5 Ų70.548%0.4838%0.381SS..Hα-helixtrans-58.2-39.2173.9-63.10000112.2V638 F646V638-C642 PolarHBondContact O-N 2.91Å; V638-C642 PolarHBondContact O-SG 2.74Å; C642-F646 VanDerWaalsContact O-CB 3.24Å; C642-F646 WeakPolarHBondContact O-CB 3.48Å; C642-F646 PolarHBondContact O-N 3Å
643R95.7Very high94.1Very high153 Ų15376.4 Ų76.458%0.57740%0.403SS*.Hα-helixtrans-63.8-46.9174.1-174.7-175.5-62.4152.43.8111.9A639 T640 H641 F646 M647A639-R643 WeakPolarHBondContact O-CB 2.98Å; A639-R643 PolarHBondContact O-N 3.11Å; A639-R643 VanDerWaalsContact O-N 3.1Å; T640-R643 WeakPolarHBondContact O-CB 3.09Å; T640-R643 PolarHBondContact O-N 3.05Å; H641-R643 VanDerWaalsContact C-N 3.28Å; H641-R643 PolarHBondContact O-N 3.32Å; R643-F646 PolarHBondContact O-N 2.7Å; R643-M647 HydrophobicContact CG-CG 4.41Å; R643-M647 WeakPolarHBondContact O-CB 3.15Å; R643-M647 VanDerWaalsContact O-CG 3.28Å; R643-M647 WeakPolarHBondContact O-CG 3.4Å; R643-M647 PolarHBondContact O-N 3.31Å
644D95.2Very high93.3Very high73 Ų7377.4 Ų77.439%0.3942%0.416SS..Hα-helixtrans-65.3-42.5-177.7-63.4-21000111.1R615 T640 H641 M647 A648R615-D644 IonicContact CZ-OD2 2.91Å; R615-D644 IonicContact NH1-OD2 3.11Å; R615-D644 PolarHBondContact NH1-OD2 2.99Å; R615-D644 IonicContact NH2-OD2 2.74Å; R615-D644 PolarHBondContact NH2-OD2 3.02Å; R615-D644 VanDerWaalsContact NH2-OD2 3.11Å; T640-D644 PolarHBondContact O-N 2.93Å; H641-D644 PolarHBondContact O-N 2.93Å; H641-D644 VanDerWaalsContact O-N 3.16Å; D644-M647 PolarHBondContact O-N 3.4Å; D644-A648 WeakPolarHBondContact O-CB 3.49Å; D644-A648 PolarHBondContact O-N 3.28Å
645V95.5Very high91.9Very high80 Ų8079.3 Ų79.349%0.48543%0.43SS..Hα-helixtrans-62-44173.11720000111.5H641 A648 W649H641-V645 WeakPolarHBondContact O-CG2 2.93Å; H641-V645 PolarHBondContact O-N 3.13Å; V645-A648 PolarHBondContact O-N 3.12Å; V645-W649 WeakPolarHBondContact O-CB 3.23Å; V645-W649 PolarHBondContact O-N 2.97Å
646F96Very high90.3Very high111 Ų11178.9 Ų78.949%0.48743%0.427SS..Hα-helixtrans-65.4-40.5177178.1-107.4000112.4C642 R643 W649 C650C642-F646 VanDerWaalsContact O-CB 3.24Å; C642-F646 WeakPolarHBondContact O-CB 3.48Å; C642-F646 PolarHBondContact O-N 3Å; R643-F646 PolarHBondContact O-N 2.7Å; F646-W649 HydrophobicContact CD2-CE3 4.11Å; F646-W649 HydrophobicContact CD2-CZ3 4.39Å; F646-W649 AromaticContact CE2-CE3 3.98Å; F646-W649 HydrophobicContact CE2-CE3 3.98Å; F646-W649 AromaticContact CE2-CZ3 3.83Å; F646-W649 HydrophobicContact CE2-CZ3 3.83Å; F646-W649 PolarHBondContact O-N 2.73Å; F646-C650 WeakPolarHBondContact O-CB 3.3Å; F646-C650 PolarHBondContact O-N 3.31Å; F646-C650 PolarHBondContact O-SG 3.42Å; F646-C650 VanDerWaalsContact O-SG 3.38Å
647M94.8Very high88.5Confident102 Ų10275.8 Ų75.850%0.50242%0.423SS..Hα-helixtrans-64.7-42.2174.8-72.4-68.1102.100112R643 D644 C650 A651R643-M647 HydrophobicContact CG-CG 4.41Å; R643-M647 WeakPolarHBondContact O-CB 3.15Å; R643-M647 VanDerWaalsContact O-CG 3.28Å; R643-M647 WeakPolarHBondContact O-CG 3.4Å; R643-M647 PolarHBondContact O-N 3.31Å; D644-M647 PolarHBondContact O-N 3.4Å; M647-C650 PolarHBondContact O-N 3.44Å; M647-A651 PolarHBondContact O-N 2.88Å
648A94.4Very high86.6Confident54 Ų5480.5 Ų80.545%0.44645%0.451SS..Hα-helixtrans-61.6-44.1174.300000111.9D644 V645 A651 I652D644-A648 WeakPolarHBondContact O-CB 3.49Å; D644-A648 PolarHBondContact O-N 3.28Å; V645-A648 PolarHBondContact O-N 3.12Å; A648-A651 PolarHBondContact O-N 3.43Å; A648-I652 WeakPolarHBondContact O-CG1 3.01Å; A648-I652 PolarHBondContact O-N 2.88Å
649W94.9Very high84.4Confident125 Ų12584.9 Ų84.947%0.47348%0.478SS..Hα-helixtrans-62.1-41.6174.1176.586.9000112.5V645 F646 A651 I652 R653V645-W649 WeakPolarHBondContact O-CB 3.23Å; V645-W649 PolarHBondContact O-N 2.97Å; F646-W649 HydrophobicContact CD2-CE3 4.11Å; F646-W649 HydrophobicContact CD2-CZ3 4.39Å; F646-W649 AromaticContact CE2-CE3 3.98Å; F646-W649 HydrophobicContact CE2-CE3 3.98Å; F646-W649 AromaticContact CE2-CZ3 3.83Å; F646-W649 HydrophobicContact CE2-CZ3 3.83Å; F646-W649 PolarHBondContact O-N 2.73Å; W649-A651 PolarHBondContact O-N 2.97Å; W649-I652 PolarHBondContact O-N 2.77Å; W649-R653 VanDerWaalsContact CZ2-NH1 3.32Å; W649-R653 WeakPolarHBondContact O-CB 3.5Å; W649-R653 PolarHBondContact O-N 2.96Å
650C93.9Very high82Confident47 Ų4788.5 Ų88.532%0.31850%0.495SS..Hα-helixtrans-61.9-40173.7-79.10000112.4F646 M647 R653 G654F646-C650 WeakPolarHBondContact O-CB 3.3Å; F646-C650 PolarHBondContact O-N 3.31Å; F646-C650 PolarHBondContact O-SG 3.42Å; F646-C650 VanDerWaalsContact O-SG 3.38Å; M647-C650 PolarHBondContact O-N 3.44Å; C650-R653 PolarHBondContact O-N 2.95Å; C650-G654 PolarHBondContact O-N 2.71Å
651A92.2Very high79.3Confident60 Ų6097 Ų9750%0.49655%0.547SS..Hα-helixtrans-64-44.1176.100000111.7M647 A648 W649 R653 G654 S655M647-A651 PolarHBondContact O-N 2.88Å; A648-A651 PolarHBondContact O-N 3.43Å; W649-A651 PolarHBondContact O-N 2.97Å; A651-R653 VanDerWaalsContact C-N 3.32Å; A651-R653 PolarHBondContact O-N 3.3Å; A651-G654 PolarHBondContact O-N 3.18Å; A651-S655 WeakPolarHBondContact O-CB 3.5Å; A651-S655 PolarHBondContact O-N 2.96Å; A651-S655 PolarHBondContact O-OG 3.15Å
652I90.5Very high78.5Confident112 Ų11299.6 Ų99.657%0.57456%0.564SS**Hα-helixtrans-61.6-40.8175.3-65.4162.9000110.7A648 W649 S655 N656A648-I652 WeakPolarHBondContact O-CG1 3.01Å; A648-I652 PolarHBondContact O-N 2.88Å; W649-I652 PolarHBondContact O-N 2.77Å; I652-S655 WeakPolarHBondContact O-CB 3.43Å; I652-S655 PolarHBondContact O-N 2.97Å; I652-N656 PolarHBondContact O-N 3.13Å; I652-N656 VanDerWaalsContact O-N 3.1Å
653R88.3Confident77.7Confident143 Ų143101.1 Ų101.154%0.5457%0.568SS.*Hα-helixtrans-80.1-23.2-178.5-160.9171.2-174.9-171.2-0.7114.6W649 C650 A651 N656 S657W649-R653 VanDerWaalsContact CZ2-NH1 3.32Å; W649-R653 WeakPolarHBondContact O-CB 3.5Å; W649-R653 PolarHBondContact O-N 2.96Å; C650-R653 PolarHBondContact O-N 2.95Å; A651-R653 VanDerWaalsContact C-N 3.32Å; A651-R653 PolarHBondContact O-N 3.3Å; R653-N656 WeakPolarHBondContact CA-OD1 3.34Å; R653-N656 PolarHBondContact O-OD1 2.88Å; R653-S657 PolarHBondContact O-OG 3.32Å
654G75.8Confident76.7Confident40 Ų4098.2 Ų98.241%0.41257%0.568SS.*Hα-helixtrans-66.4-49.4163.900000110.5C650 A651 N656 S657 T658C650-G654 PolarHBondContact O-N 2.71Å; A651-G654 PolarHBondContact O-N 3.18Å; G654-N656 PolarHBondContact O-N 3.18Å; G654-S657 PolarHBondContact O-N 3.22Å; G654-S657 VanDerWaalsContact O-N 3.16Å; G654-T658 PolarHBondContact O-OG1 3.39Å
655S64.1Low75.6Confident80 Ų8099.7 Ų99.756%0.55958%0.578SS**Hα-helixtrans-56.8-46.9-178.4-54.70000112.8A651 I652 S657 T658 T659A651-S655 WeakPolarHBondContact O-CB 3.5Å; A651-S655 PolarHBondContact O-N 2.96Å; A651-S655 PolarHBondContact O-OG 3.15Å; I652-S655 WeakPolarHBondContact O-CB 3.43Å; I652-S655 PolarHBondContact O-N 2.97Å; S655-S657 VanDerWaalsContact C-N 3.26Å; S655-S657 PolarHBondContact O-N 3.29Å; S655-T658 PolarHBondContact O-N 3.33Å; S655-T659 PolarHBondContact O-OG1 3.48Å
656N60.8Low74.3Confident93 Ų93100.9 Ų100.950%0.49758%0.584SS.*THydrogen-bonded Turntrans-78-4.1-177.870.319.1000115.1I652 R653 G654I652-N656 PolarHBondContact O-N 3.13Å; I652-N656 VanDerWaalsContact O-N 3.1Å; R653-N656 WeakPolarHBondContact CA-OD1 3.34Å; R653-N656 PolarHBondContact O-OD1 2.88Å; G654-N656 PolarHBondContact O-N 3.18Å
657S57.7Low72.9Confident85 Ų85100.3 Ų100.359%0.59459%0.591SS**THydrogen-bonded Turntrans-86.3-19.6171.8-59.50000112.7R653 G654 S655R653-S657 PolarHBondContact O-OG 3.32Å; G654-S657 PolarHBondContact O-N 3.22Å; G654-S657 VanDerWaalsContact O-N 3.16Å; S655-S657 VanDerWaalsContact C-N 3.26Å; S655-S657 PolarHBondContact O-N 3.29Å
658T53.3Low71.3Confident112 Ų112100.1 Ų100.169%0.68760%0.597SS**SBendtrans-89.2-10.2-176.1-45.90000113.2G654 S655 V660G654-T658 PolarHBondContact O-OG1 3.39Å; S655-T658 PolarHBondContact O-N 3.33Å; T658-V660 PolarHBondContact O-N 3.41Å
659T49.3Very low69.6Low120 Ų120103.7 Ų103.774%0.73661%0.608SS**SBendtrans-94.519.9-175.7-29.80000113.5S655S655-T659 PolarHBondContact O-OG1 3.48Å
660V45.2Very low67.4Low123 Ų123101.9 Ų101.975%0.74562%0.62SS**  trans-130.865.7-177.4-166.60000111.1T658T658-V660 PolarHBondContact O-N 3.41Å
661T38.3Very low65Low208 Ų208106.9 Ų106.9100%1.27665%0.647SS**  trans-1490166.348.60000109.2

Retrieved 661 of 661 residues in 446.4 ms (Link to these results)