A0A5K4F1A8_SCHMA Loading...

Putative single-stranded DNA-binding protein mssp-1

AlphaFold DB , UniProt , Accession A0A5K4F1A8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 775 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.2Very low38Very low245 Ų245153 Ų153100%1.20779%0.788SS**  0152.70-65.5178.9175.700108.1
2P45.7Very low38.1Very low107 Ų107153.4 Ų153.470%0.69579%0.793SS**  cis-114.6138.1-16.942.4-31.1000110.8
3T36.7Very low38.6Very low124 Ų124150 Ų15076%0.76179%0.787SS**  78.1161.4104.768.20000117.5
4S40.1Very low38.3Very low92 Ų92147.8 Ų147.864%0.64379%0.788SS**  trans67.994151.942.40000119.1
5N34.9Very low38.8Very low152 Ų152144.6 Ų144.681%0.81378%0.779SS**  42129.8117.4-49.10.4000119.6
6E42.1Very low38.7Very low200 Ų200146.1 Ų146.194%0.93578%0.779SS**  -143.6161.6128.3-139165.5-143.700111.2
7T34.8Very low38.7Very low92 Ų92149.3 Ų149.356%0.56479%0.788SS**  trans-127.1129.9-155-60.60000112.9I9T7-I9 HydrophobicContact CG2-CD1 3.88Å; T7-I9 HydrophobicContact CG2-CG1 3.87Å
8Y38.8Very low38.6Very low217 Ų217150.5 Ų150.585%0.85179%0.789SS**  trans-137.5114157.6-85-95.3000106
9I34.3Very low38.6Very low131 Ų131152.5 Ų152.567%0.67279%0.794SS**  cis54.997.945.8-60.2166.4000112T7T7-I9 HydrophobicContact CG2-CD1 3.88Å; T7-I9 HydrophobicContact CG2-CG1 3.87Å
10Y37.5Very low38.6Very low220 Ų220152.4 Ų152.486%0.86379%0.789SS**  trans-143.3149.7135.1-113.3-87.2000108.8
11P38.3Very low38.5Very low103 Ų103151.9 Ų151.967%0.66978%0.783SS**  trans-122.3155.3-163.741.5-28.5000115.8
12D39Very low38.7Very low158 Ų158148.1 Ų148.185%0.84576%0.763SS**  trans-62.6149.2149.6-79.3-53.9000109.5
13P44.2Very low38.1Very low109 Ų109149.1 Ų149.171%0.70877%0.767SS**  -159.1175.35442.5-21.2000120
14C34.8Very low38.3Very low119 Ų119150.5 Ų150.580%0.80478%0.775SS**  trans69.3174.1144.8-95.90000119.9
15P45.9Very low38Very low100 Ų100154.9 Ų154.965%0.64978%0.783SS**  cis-140.3179.3-20.735-14.9000117
16Q37.2Very low37.7Very low169 Ų169155 Ų15579%0.7978%0.78SS**  trans68.3120.3144.7-82.2172.118.300123.6
17Q38.8Very low37.2Very low200 Ų200156.7 Ų156.794%0.93578%0.778SS**  -153.4172.3102.4-107.4-171.82400111.2
18Q36.2Very low37.3Very low171 Ų171157.3 Ų157.380%0.79979%0.786SS**  trans-123.8139-164.5-63.3175.4-19.700113.8
19Q38.9Very low37.5Very low188 Ų188151.6 Ų151.688%0.87978%0.776SS**  trans-156.2103131.4-116.3174.439.100114.1
20Q38.1Very low37.4Very low151 Ų151152.6 Ų152.671%0.70678%0.782SS**  trans38.8118.5138.1-61.1-166.822.500122.9
21Q38Very low37Very low141 Ų141147.4 Ų147.466%0.65978%0.778SS**  72.6141.1125.3-59.6-170.997.700119.4
22Q38.9Very low37Very low166 Ų166148.9 Ų148.978%0.77678%0.779SS**  cis-146.9165.80.8-128.517854.400111.2
23T33.8Very low36.7Very low129 Ų129149.7 Ų149.779%0.79178%0.778SS**  trans-95.2141.7-169540000115
24T39.8Very low36.2Very low152 Ų152152.8 Ų152.893%0.93378%0.783SS**  trans-140.6167.2143.411.10000110.7
25K33.2Very low36.2Very low184 Ų184154 Ų15480%0.878%0.781SS**  trans-136.5152.3-148.6-150-172.5-174.5178.20112
26M29.5Very low35.8Very low155 Ų155161.1 Ų161.176%0.76480%0.795SS**  trans86.6140.2157.3-51.9-82.5-83.600119.9
27R32Very low36Very low236 Ų236159.4 Ų159.489%0.89180%0.796SS**  trans94.2129.8142.4-124169.5-170.5161.21.3119
28S36.8Very low35.9Very low104 Ų104157.9 Ų157.973%0.72779%0.789SS**  trans-83.7150.7172.5157.40000111.1
29P43Very low36Very low97 Ų97155.2 Ų155.263%0.6379%0.79SS**  trans-114.9110.8155.134.1-20.8000112
30N31.4Very low36Very low152 Ų152155.5 Ų155.581%0.81379%0.793SS**  -72.6161.8129.4-86.8-25.2000107.7
31S29.7Very low35.9Very low112 Ų112157.4 Ų157.478%0.78380%0.799SS**  trans67.881.2177-54.10000115.9
32I37Very low35.8Very low133 Ų133157.7 Ų157.768%0.68281%0.805SS**  trans-130.276.2140.4-52.3-178.7000108.2
33E34.4Very low35.8Very low176 Ų176158.4 Ų158.482%0.82281%0.813SS**  trans-67.9161.1138.9-68.6175.996.300107.8
34Q33.8Very low35.9Very low174 Ų174155.7 Ų155.781%0.81380%0.804SS**SBendtrans64.587.4-178.3-49.3171.9-0.500114
35N34.2Very low35.6Very low144 Ų144156.6 Ų156.677%0.7780%0.803SS**  trans173.934.9149.7-92-19.8000113.4
36R37.8Very low35.6Very low250 Ų250153.7 Ų153.794%0.94381%0.805SS**SBendtrans-130.442.4177.5-125.4176.4-177.8138.61.6113.3
37T41.2Very low36.1Very low132 Ų132151.7 Ų151.781%0.8180%0.801SS**SBendtrans-134.515.3-178.842.10000113.3
38E36.5Very low36.2Very low168 Ų168149.5 Ų149.579%0.78580%0.801SS**SBendtrans-141.564.8-174.2-95.2165.4-151.100111.9
39S37.9Very low36.1Very low115 Ų115152.4 Ų152.480%0.80480%0.803SS**SBendtrans-161.816.9169.9-74.50000114.6
40M38.6Very low36Very low194 Ų194156.2 Ų156.296%0.95682%0.818SS**SBendtrans-142.652.3178.3-71.9-173174.200110.8
41K36.3Very low36.2Very low191 Ų191152.7 Ų152.783%0.8382%0.818SS**  trans-1414.8179.2-131.7175.7-177.9-178.40116
42D36.9Very low36.4Very low147 Ų147150.9 Ų150.979%0.78682%0.817SS**  trans-110.643-174.9-52.5-75.4000112.4
43L37.5Very low36.5Very low181 Ų181153 Ų15395%0.94883%0.828SS**SBendtrans-132.717.3171.7-13787.3000113.6
44A36.7Very low36.6Very low73 Ų73155.2 Ų155.260%0.60383%0.829SS**SBendtrans-124.6166.2161.600000107.9
45D33.9Very low36.5Very low170 Ų170150 Ų15091%0.90982%0.823SS**  trans60.556176.8-56.2-20.4000116.2
46C33.5Very low36.6Very low123 Ų123152.4 Ų152.483%0.83182%0.822SS**  trans-103.292.4164.7-158.70000112.3
47V38.8Very low36.6Very low114 Ų114147.9 Ų147.969%0.69182%0.816SS**  trans60.488.7155.6-169.60000117.6Q49V47-Q49 VanDerWaalsContact C-N 3.35Å; V47-Q49 HydrophobicContact CG1-CB 4.14Å; V47-Q49 PolarHBondContact O-N 3.5Å
48E33.8Very low36.2Very low189 Ų189146.3 Ų146.388%0.88381%0.811SS**  trans-5990.8145.1178.8-172.1-148.900110.5
49Q35.7Very low35.9Very low165 Ų165146.2 Ų146.277%0.77182%0.815SS**  trans-174.796.7156.4-111.4162.78300113.1V47V47-Q49 VanDerWaalsContact C-N 3.35Å; V47-Q49 HydrophobicContact CG1-CB 4.14Å; V47-Q49 PolarHBondContact O-N 3.5Å
50N40.5Very low35.9Very low178 Ų178149.7 Ų149.795%0.95282%0.819SS**  trans178.9135.2137.4-101.3-69.8000108.9
51G36Very low35.5Very low78 Ų78145.9 Ų145.980%0.80481%0.811SS**  trans-111.2157-167.700000115.8
52G33Very low35.5Very low74 Ų74144 Ų14476%0.76381%0.809SS**  trans90.7117.2169.900000114
53L39.5Very low35.3Very low176 Ų176144.9 Ų144.992%0.92181%0.808SS**  -159.79271.1-93161.1000114
54R35.4Very low34.8Very low223 Ų223141.9 Ų141.984%0.84280%0.801SS**  trans14.5115.2135.9-170.9-177.5-171.2-131.44.5120.4
55G33.2Very low35.3Very low65 Ų65144.8 Ų144.867%0.6781%0.814SS**  trans91149.5150.600000115.8
56Y35.8Very low35.1Very low194 Ų194143.3 Ų143.376%0.76181%0.806SS**  cis-149.3160.715.6-89.5-104.3000111.2
57L37.8Very low35.3Very low155 Ų155144.2 Ų144.281%0.81280%0.802SS**  trans29.8148.6142.1-58.4172.6000121.4
58S32.9Very low35Very low100 Ų100144.9 Ų144.970%0.69980%0.802SS**  cis-172.5169.6-14.547.80000108.8
59N29.6Very low35.2Very low165 Ų165142.5 Ų142.588%0.88280%0.796SS**  trans-56.3136.7177-57-20.2000113.1
60E37.8Very low35.3Very low188 Ų188140.7 Ų140.788%0.87979%0.791SS**  trans-144.4150153-129.6176.8162.700110.4
61S30.3Very low35.2Very low115 Ų115139.2 Ų139.280%0.80478%0.783SS**  trans-120.9123.2-171-179.40000110.1
62I37Very low35.5Very low152 Ų152143.1 Ų143.178%0.77979%0.786SS**  trans-131.291.1-178.6-54.3-176000111.3
63Q32.1Very low35.6Very low164 Ų164147 Ų14777%0.76679%0.789SS**  34.7118.9128.7-144.472.1-2.800119.9
64C27.5Very low35.6Very low118 Ų118143.9 Ų143.980%0.79778%0.779SS**PPolyproline II helixtrans-69.1140.3163.2-55.40000111.7N66C64-N66 PolarHBondContact O-N 3.01Å
65P47.3Very low35.8Very low134 Ų134142.1 Ų142.187%0.8778%0.778SS**PPolyproline II helixtrans-79.1120.6173.531-32.8000111.7
66N30.1Very low36Very low139 Ų139147.8 Ų147.874%0.74379%0.787SS**PPolyproline II helixtrans-102.8129.5164178.98.1000108.6C64C64-N66 PolarHBondContact O-N 3.01Å
67N36.8Very low36Very low142 Ų142142.5 Ų142.576%0.75978%0.783SS**  trans-145.8101.4172.8-167.910.9000111.5
68N32.5Very low35.8Very low128 Ų128140.7 Ų140.768%0.68478%0.783SS**  trans-77131.6168.5-86.7-31.3000110.4
69N38.7Very low35.9Very low140 Ų140143.7 Ų143.775%0.74979%0.79SS**  trans-155.990.1150-102.1-43.6000112.9
70N36.7Very low36.1Very low127 Ų127142.6 Ų142.668%0.67978%0.784SS**  trans23.2142.6137.5-58-26.1000122
71N39.6Very low36.1Very low146 Ų146139.6 Ų139.678%0.78178%0.778SS**  trans73.5131.7163.9-50.5-13.8000114.6
72D41.7Very low36.3Very low160 Ų160140.7 Ų140.786%0.85678%0.775SS**  cis-138178.327.9-109.5-54.2000116.1
73N35.7Very low36.3Very low155 Ų155139.4 Ų139.483%0.82978%0.775SS**  trans-84.9151.1-159.3-14619.5000115.6
74P40.2Very low36.5Very low111 Ų111137.5 Ų137.572%0.72178%0.775SS**  trans-108.6170.5-16641.2-34.8000116.1
75K38.8Very low36.8Very low186 Ų186140.1 Ų140.181%0.80978%0.777SS**  trans-145.3125.8158.2-74.2-167.1179.3179.60113.3
76Q36.4Very low36.2Very low184 Ų184142.1 Ų142.186%0.8678%0.781SS**  trans45.2135.7130.5-66.6171.3-13.200120.5
77A35.7Very low36.5Very low84 Ų84140.9 Ų140.969%0.69478%0.783SS**  cis-166.5158.2-2.300000114
78S33.9Very low36.6Very low116 Ų116142.6 Ų142.681%0.81179%0.788SS**  trans58.798.1146.1-58.60000121.5
79I35.3Very low36.9Very low163 Ų163144.2 Ų144.284%0.83680%0.797SS**  trans-117133.6132.6-67179.9000107.2V81I79-V81 HydrophobicContact CG2-CG2 4.42Å
80N34.9Very low36.8Very low142 Ų142145.3 Ų145.376%0.75980%0.803SS**  trans-97.9122-175.7-176.7-1.2000110.5
81V37Very low37Very low125 Ų125147 Ų14776%0.75881%0.81SS**  trans-130.1104.6172.9-170.20000108.1I79I79-V81 HydrophobicContact CG2-CG2 4.42Å
82N34Very low36.9Very low138 Ų138145.9 Ų145.974%0.73881%0.809SS**  trans-108.799.8-176.9-146.220.9000109.9
83T37.3Very low36.7Very low126 Ų126147.3 Ų147.377%0.77381%0.813SS**  trans-13889.3172.8-60.70000108.1
84T36.6Very low36.8Very low124 Ų124146 Ų14676%0.76181%0.811SS**  trans-76139.5178-47.40000110.5
85M33.4Very low36.9Very low173 Ų173146.7 Ų146.785%0.85282%0.818SS**  trans-65.8154.8176.7-50.7176.9-163.300111.6
86N34.6Very low36.9Very low176 Ų176144 Ų14494%0.94181%0.812SS**  trans-161.989.8149.8-105.2-15.6000110
87S37.1Very low37Very low112 Ų112142 Ų14278%0.78380%0.803SS**  trans-163.5103.8162.2-173.70000109.1
88M38.5Very low37.1Very low178 Ų178146 Ų14688%0.87781%0.807SS**  trans155.6106.8158.7-90.3168.2-164.800108.4
89N38.3Very low37.3Very low162 Ų162145.6 Ų145.687%0.86680%0.804SS**  trans162.895.1143-86.6-13.3000109
90D37.2Very low37.6Very low163 Ų163143.1 Ų143.187%0.87280%0.801SS**  trans-158.5151.3148.6-119.6-32.5000110.9
91I40Very low37.9Very low163 Ų163141.7 Ų141.784%0.83680%0.802SS**  trans97.885.6-171.7-56.7165.3000113.4
92T37.7Very low37.8Very low123 Ų123143.7 Ų143.776%0.75581%0.809SS**  trans-75.2140.5160.134.70000111.4
93M37.7Very low38Very low190 Ų190141.7 Ų141.794%0.93681%0.805SS**  trans-137.9134.7146-81.3-150.8163.800110.1
94T38.2Very low38Very low128 Ų128141.2 Ų141.279%0.78580%0.803SS**  trans-111.5126.9-17550.10000110.6
95S41.9Very low38.2Very low124 Ų124142 Ų14287%0.86781%0.808SS**  trans-154.4135.7155.545.60000110.5
96D38.6Very low38.4Very low130 Ų130137.6 Ų137.670%0.69581%0.806SS**  trans-87.4156.2-173.3-85.5-83.7000113.6
97Q38.8Very low38.5Very low141 Ų141133.1 Ų133.166%0.65980%0.802SS**  trans26.8119.9135.3-48.3170.263.800116.4
98H38.3Very low38.6Very low170 Ų170131.2 Ų131.279%0.78780%0.799SS**  -163.8162.459.8-93.8-79.8000113.7
99S37.5Very low38.9Very low106 Ų106128.7 Ų128.774%0.74179%0.794SS**  trans-76.6135.1170.553.90000113.8
100S41.3Very low39Very low112 Ų112128.7 Ų128.778%0.78379%0.794SS**  -179.2150.4121.748.20000114
101S42.5Very low39.1Very low111 Ų111123.8 Ų123.878%0.77678%0.781SS**  trans-3.9128.4161.851.90000119.8
102N33.5Very low39.4Very low168 Ų168121.5 Ų121.590%0.89878%0.78SS**  trans-103.8124166.4-160.40.6000110.1
103S38Very low39.5Very low95 Ų95123.5 Ų123.566%0.66479%0.786SS**  trans-154.6114.6171.368.80000114.7
104T39Very low39.6Very low117 Ų117118 Ų11872%0.71878%0.778SS**  trans83.7123.3140.6-450000120.1
105T39Very low39.8Very low141 Ų141117.9 Ų117.987%0.86577%0.773SS**  trans64.9142.1157.848.20000121.1
106G37.8Very low39.9Very low79 Ų79121.8 Ų121.881%0.81477%0.768SS**  trans178.1-21.7168.100000122
107G37.2Very low39.8Very low83 Ų83123.8 Ų123.886%0.85678%0.779SS**  trans41.1114.7164.700000123.7
108G38.8Very low39.8Very low71 Ų71120.5 Ų120.573%0.73278%0.783SS**  trans86.6169.9145.600000118.9
109V46.3Very low39.6Very low126 Ų126116.5 Ų116.576%0.76479%0.787SS**  cis-164.1154.9-17.1-98.20000109.8
110N39.5Very low39.7Very low162 Ų162115.5 Ų115.587%0.86679%0.794SS**  trans69.3153.1166.8-49.2-33.9000117.3
111G38.8Very low39.7Very low59 Ų59116.3 Ų116.361%0.60879%0.794SS**  cis163.2167.9-800000113
112S46.1Very low39.5Very low115 Ų115118.3 Ų118.380%0.80480%0.796SS**  trans61.1156.8175.1470000118.2
113D39.9Very low39.9Very low166 Ų166117.6 Ų117.689%0.88879%0.787SS**  cis156.1144.4-26.5-93.9-49.5000106
114G41.6Very low39.9Very low74 Ų74122.5 Ų122.576%0.76380%0.797SS**  trans156.852.6172.100000122.7
115D41.4Very low39.9Very low126 Ų126119.6 Ų119.667%0.67479%0.79SS**  50.5148.8123.9-141.85.1000124.5
116R43.3Very low39.9Very low206 Ų206122.2 Ų122.278%0.77779%0.789SS**  trans77.199.4158.8-69.9158.6-142.8-176.510.5123.7
117D37.2Very low40.1Very low172 Ų172126.5 Ų126.592%0.9279%0.785SS**  38.7143.798.7-163.427000121.9
118G37.9Very low40.2Very low72 Ų72130.3 Ų130.374%0.74278%0.779SS**  trans154.8107.4172.200000114.3
119G34.6Very low40.1Very low85 Ų85131.4 Ų131.488%0.87678%0.775SS**  trans-93.8167.3-175.400000116.6
120G40.1Very low39.7Very low85 Ų85134.4 Ų134.488%0.87678%0.778SS**  trans-157.3122.8175.400000113.2
121V41.1Very low39.7Very low130 Ų130131.7 Ų131.779%0.78877%0.768SS**  trans-95.9155.4-175.6-730000113.1
122N38.3Very low39.6Very low152 Ų152134.8 Ų134.881%0.81377%0.77SS**  -162.5166.5123.8-104.8-43.3000115.2
123Q41.9Very low39.1Very low153 Ų153139.9 Ų139.972%0.71577%0.773SS**  trans-100160.8-158-48.4163.922.100113.3
124F37.9Very low39Very low199 Ų199136.7 Ų136.787%0.87376%0.762SS**  -176138.3105.6-119.2-97.9000115.5
125G38.6Very low39.1Very low56 Ų56139.8 Ų139.858%0.57777%0.766SS**  10282.212700000123
126K40.9Very low39.2Very low195 Ų195142.8 Ų142.885%0.84878%0.775SS**  trans72.1110.4146.3-54.9168.1-173.8173.90117
127K41.2Very low38.8Very low169 Ų169139.9 Ų139.974%0.73578%0.775SS**  80.8134.170.6-77.1176.1169.9-174.60113.2
128F38.6Very low39.1Very low164 Ų164140.9 Ų140.972%0.71977%0.774SS**  cis-160.4138.211.8-121.5-40.6000113.3
129S37.6Very low39.2Very low93 Ų93142.3 Ų142.365%0.6577%0.77SS**  trans40.8150.3140.356.10000122.7
130K37.8Very low39.2Very low189 Ų189147 Ų14782%0.82277%0.769SS**  cis-172.3173.6-0.1-108.3174172.6-1750105.8
131T40Very low39.2Very low106 Ų106152.2 Ų152.265%0.6577%0.77SS**  cis-155.2149-114.50000105.2
132N35Very low39Very low123 Ų123154.1 Ų154.166%0.65877%0.77SS**  cis86.8106.833.3-173.733.6000116.1
133Y36.6Very low38.7Very low223 Ų223153.7 Ų153.788%0.87576%0.763SS**  trans-149.4158.1140.2-80.3-64.7000109.6
134P38.3Very low38.4Very low99 Ų99151.9 Ų151.964%0.64377%0.767SS**  trans-130.7169.3-149.643-29.7000117.1
135T43.4Very low38.2Very low139 Ų139148.9 Ų148.985%0.85376%0.756SS**  trans-168.5123.4139.417.80000115.5
136H43.7Very low38.2Very low188 Ų188154.6 Ų154.687%0.8777%0.772SS**  trans57.8153.8146.9-10556.8000124.1
137N33.4Very low37.8Very low145 Ų145152.1 Ų152.178%0.77576%0.764SS**  trans-107.8156.2-170.2-62.4-28.8000113.5
138H45.5Very low37.5Very low193 Ų193152.9 Ų152.989%0.89477%0.77SS**  trans-146.7154.1137.3-105.764.8000109.6
139P38.5Very low37.3Very low102 Ų102152.8 Ų152.866%0.66278%0.777SS**  trans-107.9150.3-1599.313000115.9
140H35.1Very low37.1Very low185 Ų185151.8 Ų151.886%0.85678%0.781SS**  trans35.7117.6151.7-65-78.7000121
141H39.4Very low36.9Very low193 Ų193150.5 Ų150.589%0.89478%0.783SS**  -136.4171120.8-140.4-98.4000112.3
142H37.8Very low36.7Very low171 Ų171150.3 Ų150.379%0.79279%0.793SS**  trans-79.6157.7-151.9-154.275.4000116.4
143Q31Very low36.6Very low142 Ų142147 Ų14766%0.66479%0.787SS**  trans-95128.1-175.1173.3-178.5-5.400111.9
144S36.6Very low36.4Very low115 Ų115143.3 Ų143.380%0.80479%0.788SS**  trans-140.795.7161.1-82.80000110.3
145Q33.6Very low36.3Very low136 Ų136142.3 Ų142.364%0.63680%0.796SS**  trans-85.7112.4166.6-65.7-178.618.900108.8
146L37.2Very low36.3Very low176 Ų176139.9 Ų139.992%0.92179%0.79SS**  trans-99.277.7163.8-70.3-178.9000109.7
147H33.1Very low37Very low144 Ų144136.4 Ų136.467%0.66777%0.774SS**  trans-70.8146.3158.2-89.4111.8000109.6
148Q35.4Very low38.3Very low185 Ų185136.1 Ų136.186%0.86477%0.766SS**  trans60.3109.1165.2-58170.135.100116.7
149N34.4Very low39.6Very low162 Ų162132.6 Ų132.687%0.86675%0.752SS**  -139.1126.1113.7-158.3-2.3000109.7
150G33Very low41.5Very low72 Ų72128.3 Ų128.374%0.74272%0.724SS**  trans-101.6125.9173.500000108.9
151N33.8Very low43.8Very low161 Ų161127.1 Ų127.186%0.86171%0.712SS**  trans-120135.2168.1-161.32.3000110G153N151-G153 PolarHBondContact O-N 3.48Å
152A35.5Very low46.3Very low103 Ų103119.8 Ų119.885%0.85168%0.681SS**  trans-84.3115.5-171.600000110.8
153G32.3Very low48.9Very low53 Ų53113.4 Ų113.455%0.54665%0.653SS.*  trans-142.888.7-176.600000113N151 G155N151-G153 PolarHBondContact O-N 3.48Å; G153-G155 PolarHBondContact O-N 2.73Å
154T33.6Very low51.8Low145 Ų145106.7 Ų106.789%0.8962%0.621SS**THydrogen-bonded Turntrans31.284.3153.6570000117.8A156T154-A156 VanDerWaalsContact C-N 3.31Å; T154-A156 PolarHBondContact O-N 2.79Å; T154-A156 VanDerWaalsContact O-N 3.07Å
155G36.6Very low54.5Low79 Ų79104.3 Ų104.381%0.81460%0.595SS**THydrogen-bonded Turntrans58.731.4153.100000117G153 E157G153-G155 PolarHBondContact O-N 2.73Å; G155-E157 PolarHBondContact O-N 3.03Å
156A43.5Very low57.3Low88 Ų8897.9 Ų97.973%0.72757%0.565SS**  trans-57.3111.517900000111.4T154 K158T154-A156 VanDerWaalsContact C-N 3.31Å; T154-A156 PolarHBondContact O-N 2.79Å; T154-A156 VanDerWaalsContact O-N 3.07Å; A156-K158 PolarHBondContact O-N 3.5Å
157E56.7Low60Low114 Ų11494.9 Ų94.953%0.53354%0.544SS..  trans-61.4129.4-179.9-53.2-160.7139.700110.2G155 M159 K235G155-E157 PolarHBondContact O-N 3.03Å; E157-M159 PolarHBondContact O-N 3.1Å; E157-K235 IonicContact OE1-NZ 3.64Å; E157-K235 PolarHBondContact OE1-NZ 3.28Å; E157-K235 VanDerWaalsContact OE2-CD 3.27Å; E157-K235 WeakPolarHBondContact OE2-CD 3.26Å; E157-K235 WeakPolarHBondContact OE2-CE 3.37Å; E157-K235 IonicContact OE2-NZ 2.67Å; E157-K235 PolarHBondContact OE2-NZ 2.99Å
158K62.7Low62.6Low139 Ų13989.9 Ų89.960%0.60453%0.532SS*.  trans-68.190.7-176-172.3167.3-179.2-800110.6A156 E236A156-K158 PolarHBondContact O-N 3.5Å; K158-E236 IonicContact NZ-OE1 3.96Å; K158-E236 IonicContact NZ-OE2 3.44Å; K158-E236 PolarHBondContact NZ-OE2 2.93Å; K158-E236 WeakPolarHBondContact O-CB 3.07Å; K158-E236 PolarHBondContact O-N 3.2Å
159M72.3Confident65.2Low120 Ų12081.5 Ų81.559%0.59149%0.493SS*.EExtended strand (participates in β ladder)trans-71.2134.1173-73.1168.7-79.700110.1E157 F233 A234E157-M159 PolarHBondContact O-N 3.1Å; M159-F233 HydrophobicContact CB-CB 4.4Å; M159-A234 CarbonylContact C-O 3.55Å; M159-A234 WeakPolarHBondContact CA-O 3.49Å
160S77.7Confident67.7Low11 Ų1176.4 Ų76.48%0.07747%0.468CS..EExtended strand (participates in β ladder)trans-77.2121175.948.10000109.7T162 F233 A234S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 2.82Å; S160-F233 WeakPolarHBondContact O-CD1 3.39Å; S160-A234 PolarHBondContact N-O 3.4Å; S160-A234 PolarHBondContact OG-O 3.2Å
161R84Confident70.1Confident161 Ų16178.8 Ų78.861%0.60846%0.46SS*.EExtended strand (participates in β ladder)trans-77.8-12.2-173.3-48.3-170.9-171.1177.3-4.1115.1E212 F233R161-E212 HydrophobicContact CB-CB 4.33Å; R161-E212 HydrophobicContact CB-CG 3.94Å; R161-E212 VanDerWaalsContact CD-OE1 3.31Å; R161-E212 WeakPolarHBondContact CD-OE1 3.46Å; R161-E212 WeakPolarHBondContact CD-OE2 3.25Å; R161-E212 IonicContact CZ-OE2 2.65Å; R161-E212 IonicContact NE-OE2 3.6Å; R161-E212 IonicContact NH1-OE1 2.72Å; R161-E212 IonicContact NH1-OE2 2.59Å; R161-E212 PolarHBondContact NH1-OE2 2.89Å; R161-F233 WeakPolarHBondContact O-CE1 3.44Å
162T91Very high72.5Confident39 Ų3976.1 Ų76.124%0.23945%0.446CS..EExtended strand (participates in β ladder)trans-105.8-17.1177.759.70000113.5S160 D208 F209S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 2.82Å; T162-D208 WeakPolarHBondContact CB-OD1 3.43Å; T162-D208 PolarHBondContact OG1-OD1 2.92Å; T162-F209 WeakPolarHBondContact O-CD2 3.19Å; T162-F209 PolarHBondContact O-N 2.75Å
163N92.8Very high74.9Confident37 Ų3772.4 Ų72.420%0.19841%0.411CS..EExtended strand (participates in β ladder)trans-109.6121.5-171.7179.28.7000110.8I207 D208 A234N163-I207 CarbonylContact C-O 3.53Å; N163-I207 WeakPolarHBondContact CA-O 3.38Å; N163-I207 PolarHBondContact OD1-O 2.91Å; N163-D208 HydrophobicContact CB-CB 3.99Å; N163-A234 HydrophobicContact CB-CB 4.35Å; N163-A234 WeakPolarHBondContact O-CB 3.42Å; N163-A234 PolarHBondContact O-N 3.28Å
164L93.1Very high77.5Confident0 Ų073.8 Ų73.80%041%0.406CS..EExtended strand (participates in β ladder)trans-96.6126.9178.7-57.4-171.5000110.4F206 I207 F209 A215 A218 L219 I231 K232 F233L164-F206 CarbonylContact O-C 3.48Å; L164-F206 VanDerWaalsContact O-CA 3.26Å; L164-F206 WeakPolarHBondContact O-CA 3.46Å; L164-I207 PolarHBondContact N-O 2.94Å; L164-I207 PolarHBondContact O-N 3.4Å; L164-F209 HydrophobicContact CD1-CD2 4.48Å; L164-F209 HydrophobicContact CD1-CE2 3.73Å; L164-F209 HydrophobicContact CD1-CZ 4.5Å; L164-F209 HydrophobicContact CG-CD2 4.32Å; L164-F209 HydrophobicContact CG-CE2 3.95Å; L164-A215 HydrophobicContact CD2-CB 4.12Å; L164-A215 HydrophobicContact CG-CB 4.36Å; L164-A218 HydrophobicContact CD1-CB 4.3Å; L164-L219 HydrophobicContact CD1-CB 3.95Å; L164-L219 HydrophobicContact CD2-CB 4.23Å; L164-L219 HydrophobicContact CD2-CD1 4Å; L164-I231 HydrophobicContact CB-CG2 4.27Å; L164-I231 HydrophobicContact CD1-CG2 4.1Å; L164-K232 CarbonylContact C-O 3.48Å; L164-K232 WeakPolarHBondContact CA-O 3.24Å; L164-F233 HydrophobicContact CD2-CD1 3.68Å; L164-F233 HydrophobicContact CD2-CE1 3.6Å; L164-F233 HydrophobicContact CD2-CG 4.4Å; L164-F233 HydrophobicContact CD2-CZ 4.26Å
165Y93Very high80.2Confident66 Ų6669.9 Ų69.926%0.25938%0.379SS..EExtended strand (participates in β ladder)trans-88.5121.7164.5169.8-101.6000109.3K167 Y204 F206 I231 K232Y165-K167 HydrophobicContact CE1-CB 3.72Å; Y165-Y204 HydrophobicContact CD2-CD2 4.26Å; Y165-Y204 AromaticContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CE2 4.28Å; Y165-Y204 AromaticContact CE2-CG 3.89Å; Y165-Y204 HydrophobicContact CE2-CG 3.89Å; Y165-F206 HydrophobicContact CD2-CD1 4.2Å; Y165-F206 AromaticContact CD2-CE1 3.61Å; Y165-F206 HydrophobicContact CD2-CE1 3.61Å; Y165-F206 AromaticContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CE2-CZ 4.39Å; Y165-F206 HydrophobicContact CG-CE1 4.38Å; Y165-I231 WeakPolarHBondContact O-CA 3.07Å; Y165-K232 PolarHBondContact N-O 3.34Å; Y165-K232 PolarHBondContact O-N 3.19Å
166I92.9Very high82.8Confident0 Ų072.6 Ų72.60%037%0.371CS..EExtended strand (participates in β ladder)trans-112.9124.9179.1-56.1178.4000108.3L169 L178 L181 Y204 G205 I207 F229 I231I166-L169 HydrophobicContact CG2-CD2 3.69Å; I166-L169 HydrophobicContact CG2-CG 4.27Å; I166-L178 HydrophobicContact CD1-CD2 3.97Å; I166-L181 HydrophobicContact CD1-CD1 4.06Å; I166-Y204 CarbonylContact O-C 3.59Å; I166-Y204 WeakPolarHBondContact O-CA 3.24Å; I166-Y204 VanDerWaalsContact O-CB 3.31Å; I166-Y204 WeakPolarHBondContact O-CB 3.17Å; I166-G205 PolarHBondContact N-O 2.71Å; I166-G205 PolarHBondContact O-N 3.03Å; I166-I207 HydrophobicContact CD1-CD1 3.6Å; I166-I207 HydrophobicContact CD1-CG1 4Å; I166-F229 HydrophobicContact CG2-CB 4.12Å; I166-F229 HydrophobicContact CG2-CD2 4.36Å; I166-F229 HydrophobicContact CG2-CG 4.33Å; I166-I231 HydrophobicContact CG1-CG1 4.29Å; I166-I231 HydrophobicContact CG1-CG2 4.22Å; I166-I231 HydrophobicContact CG2-CG1 4.36Å
167K92.3Very high85Confident113 Ų11371.5 Ų71.549%0.49135%0.351SS..EExtended strand (participates in β ladder)trans-125.1146.1176.8-173.9-165.2174.4-163.20110.7Y165 F229 T230Y165-K167 HydrophobicContact CE1-CB 3.72Å; K167-F229 CarbonylContact O-C 3.55Å; K167-F229 WeakPolarHBondContact O-CA 3.48Å; K167-T230 PolarHBondContact N-O 3.01Å; K167-T230 PolarHBondContact O-N 2.83Å
168G89Confident86.5Confident39 Ų3966 Ų6640%0.40233%0.325SS..  trans104.18.5-177.100000113G203 F229G168-G203 PolarHBondContact N-O 3.04Å; G168-F229 WeakPolarHBondContact O-CD1 3.45Å; G168-F229 VanDerWaalsContact O-CE1 3.26Å; G168-F229 WeakPolarHBondContact O-CE1 3.49Å
169L89Confident87.9Confident9 Ų963.9 Ų63.95%0.04731%0.313CS..  trans-58.2143.9169.4-52.8177.3000109.5I166 F173 L178 L181 G203 F229I166-L169 HydrophobicContact CG2-CD2 3.69Å; I166-L169 HydrophobicContact CG2-CG 4.27Å; L169-F173 HydrophobicContact CB-CB 4.1Å; L169-F173 HydrophobicContact CB-CD1 4.3Å; L169-F173 HydrophobicContact CB-CG 4.32Å; L169-F173 HydrophobicContact CD1-CD1 4.25Å; L169-F173 HydrophobicContact CD2-CD1 3.83Å; L169-F173 HydrophobicContact CD2-CE1 4Å; L169-F173 HydrophobicContact CG-CD1 4.34Å; L169-L178 HydrophobicContact CD1-CD1 3.75Å; L169-L178 HydrophobicContact CD1-CD2 3.89Å; L169-L178 HydrophobicContact CD1-CG 3.94Å; L169-L178 HydrophobicContact CD2-CD2 4.2Å; L169-L181 HydrophobicContact CD2-CD1 4.35Å; L169-G203 PolarHBondContact N-O 3.15Å; L169-G203 VanDerWaalsContact O-CA 3.27Å; L169-G203 WeakPolarHBondContact O-CA 3.37Å; L169-F229 HydrophobicContact CD2-CD1 4.46Å; L169-F229 HydrophobicContact CD2-CD2 4.32Å; L169-F229 HydrophobicContact CD2-CE1 4.22Å; L169-F229 HydrophobicContact CD2-CE2 4.07Å; L169-F229 HydrophobicContact CD2-CZ 4.02Å
170P86.4Confident88.7Confident55 Ų5563.6 Ų63.636%0.35731%0.31SS..  trans-71.7169.7172.531.2-33.6000111.3N172 F173P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 WeakPolarHBondContact CG-OD1 3.47Å; P170-N172 PolarHBondContact O-N 3.08Å; P170-F173 HydrophobicContact CG-CB 3.96Å; P170-F173 HydrophobicContact CG-CD2 3.61Å; P170-F173 HydrophobicContact CG-CG 4.12Å; P170-F173 WeakPolarHBondContact O-CB 3.4Å; P170-F173 PolarHBondContact O-N 2.83Å
171E83.5Confident89.2Confident122 Ų12264 Ų6457%0.5731%0.312SS*.THydrogen-bonded Turntrans-72.3-10.5-169.9-58.6-167119.900114.7K200 C201E171-K200 HydrophobicContact CB-CG 4.34Å; E171-K200 WeakPolarHBondContact OE1-CE 3.17Å; E171-K200 IonicContact OE1-NZ 2.79Å; E171-K200 PolarHBondContact OE1-NZ 3.23Å; E171-K200 WeakPolarHBondContact OE2-CE 3.38Å; E171-K200 IonicContact OE2-NZ 2.73Å; E171-K200 PolarHBondContact OE2-NZ 3.11Å; E171-C201 WeakPolarHBondContact O-CB 3.38Å; E171-C201 PolarHBondContact O-N 2.72Å
172N84.9Confident89.4Confident105 Ų10556.4 Ų56.456%0.56128%0.283SS*.THydrogen-bonded Turntrans-109.922.7-176.967.3-48.2000113.3P170 Q177P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 WeakPolarHBondContact CG-OD1 3.47Å; P170-N172 PolarHBondContact O-N 3.08Å; N172-Q177 PolarHBondContact O-NE2 3.07Å; N172-Q177 VanDerWaalsContact O-NE2 3.1Å; N172-Q177 PolarHBondContact O-OE1 2.84Å
173F85.3Confident88.9Confident26 Ų2658.6 Ų58.611%0.11430%0.298CS..  trans-107.485.3-165.2-149.6-90.8000113.1L169 P170 Q177 L178 L181 C201L169-F173 HydrophobicContact CB-CB 4.1Å; L169-F173 HydrophobicContact CB-CD1 4.3Å; L169-F173 HydrophobicContact CB-CG 4.32Å; L169-F173 HydrophobicContact CD1-CD1 4.25Å; L169-F173 HydrophobicContact CD2-CD1 3.83Å; L169-F173 HydrophobicContact CD2-CE1 4Å; L169-F173 HydrophobicContact CG-CD1 4.34Å; P170-F173 HydrophobicContact CG-CB 3.96Å; P170-F173 HydrophobicContact CG-CD2 3.61Å; P170-F173 HydrophobicContact CG-CG 4.12Å; P170-F173 WeakPolarHBondContact O-CB 3.4Å; P170-F173 PolarHBondContact O-N 2.83Å; F173-Q177 HydrophobicContact CD1-CB 3.84Å; F173-Q177 HydrophobicContact CD2-CB 4.11Å; F173-Q177 VanDerWaalsContact CE1-C 3.46Å; F173-Q177 HydrophobicContact CE1-CB 3.62Å; F173-Q177 HydrophobicContact CE2-CB 3.91Å; F173-Q177 HydrophobicContact CG-CB 4.09Å; F173-Q177 HydrophobicContact CZ-CB 3.65Å; F173-L178 HydrophobicContact CD1-CG 4.14Å; F173-L178 HydrophobicContact CE1-CG 4.17Å; F173-L181 HydrophobicContact CE1-CD1 4.09Å; F173-L181 HydrophobicContact CE1-CD2 4.19Å; F173-L181 HydrophobicContact CE1-CG 4.12Å; F173-L181 HydrophobicContact CZ-CD1 4.45Å; F173-L181 HydrophobicContact CZ-CD2 3.75Å; F173-L181 HydrophobicContact CZ-CG 4.19Å; F173-C201 VanDerWaalsContact C-SG 3.54Å; F173-C201 PolarHBondContact O-SG 3.38Å
174D88.2Confident88.6Confident81 Ų8159.9 Ų59.943%0.43331%0.305SS..  trans-73.1173.6-170.7-62.4-53.9000115E176 Q177 L178D174-E176 PolarHBondContact O-N 3.04Å; D174-E176 VanDerWaalsContact O-N 3.16Å; D174-Q177 PolarHBondContact O-N 2.75Å; D174-L178 PolarHBondContact O-N 3.46Å; D174-L178 VanDerWaalsContact O-N 3.08Å
175D90.4Very high88.2Confident63 Ų6363.6 Ų63.634%0.33732%0.322SS..Hα-helixtrans-49.7-38.7175.7-75-23.2000112.6W179 V191 K192 A193D175-W179 PolarHBondContact O-N 3.18Å; D175-V191 WeakPolarHBondContact O-CG1 3.27Å; D175-K192 WeakPolarHBondContact OD1-CA 3.11Å; D175-K192 IonicContact OD1-NZ 3.55Å; D175-K192 PolarHBondContact OD1-NZ 3.47Å; D175-K192 IonicContact OD2-NZ 2.66Å; D175-K192 PolarHBondContact OD2-NZ 3.11Å; D175-A193 WeakPolarHBondContact OD1-CA 3.49Å; D175-A193 VanDerWaalsContact OD1-CB 3.25Å; D175-A193 WeakPolarHBondContact OD1-CB 3.41Å; D175-A193 PolarHBondContact OD1-N 3.22Å
176E90.5Very high88Confident136 Ų13666.7 Ų66.764%0.63635%0.348SS*.Hα-helixtrans-70.2-38.7179.2-175.6175.8-179.700112.7D174 L178 W179 Q180D174-E176 PolarHBondContact O-N 3.04Å; D174-E176 VanDerWaalsContact O-N 3.16Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-W179 WeakPolarHBondContact O-CB 3.33Å; E176-W179 PolarHBondContact O-N 3.37Å; E176-Q180 WeakPolarHBondContact O-CG 3.34Å; E176-Q180 PolarHBondContact O-N 2.85Å; E176-Q180 VanDerWaalsContact O-N 3.11Å
177Q89.3Confident87.9Confident65 Ų6569.5 Ų69.530%0.30436%0.36SS..Hα-helixtrans-70.9-33.9178.3-62.7176.73400110.9N172 F173 D174 Q180 L181N172-Q177 PolarHBondContact O-NE2 3.07Å; N172-Q177 VanDerWaalsContact O-NE2 3.1Å; N172-Q177 PolarHBondContact O-OE1 2.84Å; F173-Q177 HydrophobicContact CD1-CB 3.84Å; F173-Q177 HydrophobicContact CD2-CB 4.11Å; F173-Q177 VanDerWaalsContact CE1-C 3.46Å; F173-Q177 HydrophobicContact CE1-CB 3.62Å; F173-Q177 HydrophobicContact CE2-CB 3.91Å; F173-Q177 HydrophobicContact CG-CB 4.09Å; F173-Q177 HydrophobicContact CZ-CB 3.65Å; D174-Q177 PolarHBondContact O-N 2.75Å; Q177-Q180 PolarHBondContact O-N 2.91Å; Q177-L181 PolarHBondContact O-N 3.19Å
178L89.3Confident87.9Confident0 Ų064.8 Ų64.80%034%0.34CS..Hα-helixtrans-64.2-40.6168.5-92.3161.3000112.8I166 L169 F173 D174 E176 Q180 L181 V191 A193 I207I166-L178 HydrophobicContact CD1-CD2 3.97Å; L169-L178 HydrophobicContact CD1-CD1 3.75Å; L169-L178 HydrophobicContact CD1-CD2 3.89Å; L169-L178 HydrophobicContact CD1-CG 3.94Å; L169-L178 HydrophobicContact CD2-CD2 4.2Å; F173-L178 HydrophobicContact CD1-CG 4.14Å; F173-L178 HydrophobicContact CE1-CG 4.17Å; D174-L178 PolarHBondContact O-N 3.46Å; D174-L178 VanDerWaalsContact O-N 3.08Å; E176-L178 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 3.24Å; L178-L181 HydrophobicContact CD2-CD1 3.98Å; L178-L181 PolarHBondContact O-N 3.04Å; L178-V191 HydrophobicContact CB-CG1 3.49Å; L178-V191 VanDerWaalsContact CB-CG1 3.49Å; L178-V191 HydrophobicContact CD1-CG1 4.42Å; L178-A193 VanDerWaalsContact CD1-CA 3.48Å; L178-A193 HydrophobicContact CD1-CB 3.66Å; L178-I207 HydrophobicContact CD2-CD1 4.11Å; L178-I207 HydrophobicContact CD2-CG1 4.21Å; L178-I207 VanDerWaalsContact O-CD1 3.3Å; L178-I207 WeakPolarHBondContact O-CD1 3.39Å
179W91.1Very high88Confident94 Ų9468.8 Ų68.836%0.35635%0.347SS..Hα-helixtrans-61.7-29.8175.4-177.1-79.6000112.3D175 E176 P182 Q185 I188 V191D175-W179 PolarHBondContact O-N 3.18Å; E176-W179 WeakPolarHBondContact O-CB 3.33Å; E176-W179 PolarHBondContact O-N 3.37Å; W179-P182 WeakPolarHBondContact O-CD 3.26Å; W179-Q185 VanDerWaalsContact CD1-OE1 3.31Å; W179-Q185 HydrophobicContact CZ2-CB 4.42Å; W179-I188 HydrophobicContact CD2-CD1 4.11Å; W179-I188 HydrophobicContact CE3-CB 4.48Å; W179-I188 HydrophobicContact CE3-CD1 4.4Å; W179-I188 HydrophobicContact CE3-CG2 3.84Å; W179-I188 HydrophobicContact CG-CD1 4.45Å; W179-I188 HydrophobicContact CH2-CB 3.79Å; W179-I188 HydrophobicContact CH2-CG2 3.8Å; W179-I188 HydrophobicContact CZ2-CB 4.21Å; W179-I188 HydrophobicContact CZ2-CD1 4.42Å; W179-I188 HydrophobicContact CZ3-CB 3.96Å; W179-I188 HydrophobicContact CZ3-CG2 3.42Å; W179-I188 VanDerWaalsContact CZ3-CG2 3.42Å; W179-V191 HydrophobicContact CB-CG2 4.24Å; W179-V191 HydrophobicContact CD2-CG2 4.3Å; W179-V191 HydrophobicContact CE3-CB 4.14Å; W179-V191 HydrophobicContact CE3-CG2 3.51Å; W179-V191 HydrophobicContact CZ3-CG2 4.19Å
180Q89.9Confident88Confident113 Ų11371.4 Ų71.453%0.52837%0.366SS..THydrogen-bonded Turntrans-84.6-6178.6-66.8174.619.900114.7E176 Q177 L178E176-Q180 WeakPolarHBondContact O-CG 3.34Å; E176-Q180 PolarHBondContact O-N 2.85Å; E176-Q180 VanDerWaalsContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 2.91Å; L178-Q180 PolarHBondContact O-N 3.24Å
181L87.5Confident88.2Confident21 Ų2169.8 Ų69.811%0.1136%0.355CS..SBendtrans-67.1-45.7178.4-68.4-174.6000114.2I166 L169 F173 Q177 L178 I222 F229I166-L181 HydrophobicContact CD1-CD1 4.06Å; L169-L181 HydrophobicContact CD2-CD1 4.35Å; F173-L181 HydrophobicContact CE1-CD1 4.09Å; F173-L181 HydrophobicContact CE1-CD2 4.19Å; F173-L181 HydrophobicContact CE1-CG 4.12Å; F173-L181 HydrophobicContact CZ-CD1 4.45Å; F173-L181 HydrophobicContact CZ-CD2 3.75Å; F173-L181 HydrophobicContact CZ-CG 4.19Å; Q177-L181 PolarHBondContact O-N 3.19Å; L178-L181 HydrophobicContact CD2-CD1 3.98Å; L178-L181 PolarHBondContact O-N 3.04Å; L181-I222 HydrophobicContact CB-CD1 3.97Å; L181-I222 HydrophobicContact CB-CG1 4.19Å; L181-I222 HydrophobicContact CB-CG2 4.12Å; L181-I222 HydrophobicContact CD1-CG2 4.07Å; L181-F229 HydrophobicContact CD1-CD2 4.24Å; L181-F229 HydrophobicContact CD1-CE2 4.01Å; L181-F229 HydrophobicContact CD2-CE2 4.06Å
182P87.4Confident88.6Confident1 Ų168.5 Ų68.51%0.00635%0.347CS..SBendtrans-79.5135.1175.2-6.225.7000109.6W179 D184 I188 I207 F209 A218 I222W179-P182 WeakPolarHBondContact O-CD 3.26Å; P182-D184 VanDerWaalsContact C-N 3.3Å; P182-D184 PolarHBondContact O-N 3.16Å; P182-I188 HydrophobicContact CB-CD1 4.39Å; P182-I188 HydrophobicContact CG-CD1 3.76Å; P182-I188 HydrophobicContact CG-CG1 4.3Å; P182-I207 HydrophobicContact CG-CD1 3.99Å; P182-I207 HydrophobicContact CG-CG2 4.47Å; P182-F209 HydrophobicContact CB-CE1 4.13Å; P182-F209 HydrophobicContact CB-CZ 4.05Å; P182-F209 HydrophobicContact CG-CE1 4.17Å; P182-F209 HydrophobicContact CG-CZ 3.75Å; P182-A218 HydrophobicContact CB-CB 4.19Å; P182-I222 HydrophobicContact CB-CD1 4.26Å; P182-I222 HydrophobicContact CG-CD1 3.95Å
183P81.7Confident88.8Confident85 Ų8563.5 Ų63.555%0.55232%0.321SS*.SBendtrans-63.6-38.5174.125.8-33000111.4Q185 Q221P183-Q185 VanDerWaalsContact C-N 3.31Å; P183-Q185 PolarHBondContact O-N 3.33Å; P183-Q221 VanDerWaalsContact CD-OE1 3.27Å
184D85.5Confident89Confident63 Ų6363 Ų6334%0.33732%0.321SS..  trans-85.166.9180-73.7-8.8000112.3P182 T186 K187P182-D184 VanDerWaalsContact C-N 3.3Å; P182-D184 PolarHBondContact O-N 3.16Å; D184-T186 PolarHBondContact O-N 3.08Å; D184-T186 VanDerWaalsContact O-N 3.08Å; D184-K187 HydrophobicContact CB-CB 4.43Å; D184-K187 HydrophobicContact CB-CD 3.7Å; D184-K187 HydrophobicContact CB-CG 4.05Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.18Å; D184-K187 IonicContact OD2-NZ 3.81Å; D184-K187 PolarHBondContact OD2-NZ 3.43Å
185Q86Confident88.9Confident78 Ų7861.9 Ų61.936%0.36432%0.317SS..G310 helixtrans-56.4-25.3176.8-63.2-175.912.400113.5W179 P183 K187 I188W179-Q185 VanDerWaalsContact CD1-OE1 3.31Å; W179-Q185 HydrophobicContact CZ2-CB 4.42Å; P183-Q185 VanDerWaalsContact C-N 3.31Å; P183-Q185 PolarHBondContact O-N 3.33Å; Q185-K187 PolarHBondContact O-N 3.13Å; Q185-I188 HydrophobicContact CB-CD1 4.29Å; Q185-I188 HydrophobicContact CG-CD1 4.38Å; Q185-I188 WeakPolarHBondContact O-CB 3.41Å; Q185-I188 PolarHBondContact O-N 2.99Å
186T87.6Confident88.4Confident131 Ų13161.7 Ų61.780%0.80432%0.316SS*.G310 helixtrans-65.9-21.5176.155.40000113.9D184D184-T186 PolarHBondContact O-N 3.08Å; D184-T186 VanDerWaalsContact O-N 3.08Å
187K90.9Very high87.8Confident59 Ų5961.3 Ų61.326%0.25732%0.315SS..G310 helixtrans-88.4-3.9177.7-63.3174.3177.8167.70112.5D184 Q185 F209 V210 A214 E217D184-K187 HydrophobicContact CB-CB 4.43Å; D184-K187 HydrophobicContact CB-CD 3.7Å; D184-K187 HydrophobicContact CB-CG 4.05Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.18Å; D184-K187 IonicContact OD2-NZ 3.81Å; D184-K187 PolarHBondContact OD2-NZ 3.43Å; Q185-K187 PolarHBondContact O-N 3.13Å; K187-F209 HydrophobicContact CB-CD1 4.11Å; K187-F209 CarbonylContact O-C 3.57Å; K187-F209 WeakPolarHBondContact O-CA 3.28Å; K187-F209 WeakPolarHBondContact O-CD1 3.44Å; K187-V210 WeakPolarHBondContact O-CG2 3.13Å; K187-V210 PolarHBondContact O-N 2.73Å; K187-A214 HydrophobicContact CB-CB 3.85Å; K187-A214 HydrophobicContact CD-CB 3.7Å; K187-A214 HydrophobicContact CG-CB 4.19Å; K187-E217 IonicContact NZ-OE1 3.69Å; K187-E217 IonicContact NZ-OE2 2.71Å; K187-E217 PolarHBondContact NZ-OE2 3.37Å
188I92.2Very high87.2Confident14 Ų1465 Ų657%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-83.4134.6-178.2-54.9175.4000110.7W179 P182 Q185 V191 I207 F209W179-I188 HydrophobicContact CD2-CD1 4.11Å; W179-I188 HydrophobicContact CE3-CB 4.48Å; W179-I188 HydrophobicContact CE3-CD1 4.4Å; W179-I188 HydrophobicContact CE3-CG2 3.84Å; W179-I188 HydrophobicContact CG-CD1 4.45Å; W179-I188 HydrophobicContact CH2-CB 3.79Å; W179-I188 HydrophobicContact CH2-CG2 3.8Å; W179-I188 HydrophobicContact CZ2-CB 4.21Å; W179-I188 HydrophobicContact CZ2-CD1 4.42Å; W179-I188 HydrophobicContact CZ3-CB 3.96Å; W179-I188 HydrophobicContact CZ3-CG2 3.42Å; W179-I188 VanDerWaalsContact CZ3-CG2 3.42Å; P182-I188 HydrophobicContact CB-CD1 4.39Å; P182-I188 HydrophobicContact CG-CD1 3.76Å; P182-I188 HydrophobicContact CG-CG1 4.3Å; Q185-I188 HydrophobicContact CB-CD1 4.29Å; Q185-I188 HydrophobicContact CG-CD1 4.38Å; Q185-I188 WeakPolarHBondContact O-CB 3.41Å; Q185-I188 PolarHBondContact O-N 2.99Å; I188-V191 HydrophobicContact CG2-CG2 3.67Å; I188-I207 HydrophobicContact CG1-CG2 4.34Å; I188-I207 HydrophobicContact CG2-CG2 4Å; I188-F209 HydrophobicContact CG1-CD1 4.32Å; I188-F209 HydrophobicContact CG1-CE1 3.9Å; I188-F209 HydrophobicContact CG1-CZ 4.49Å
189K90.9Very high86.5Confident123 Ų12370.3 Ų70.354%0.53537%0.369SS..EExtended strand (participates in β ladder)trans-108.8-29.7178.6166.8158.9139.4-81.90113D208 V210K189-D208 CarbonylContact C-O 3.48Å; K189-D208 WeakPolarHBondContact CA-O 3.19Å; K189-D208 WeakPolarHBondContact CB-O 3.31Å; K189-D208 PolarHBondContact N-O 3.24Å; K189-D208 VanDerWaalsContact NZ-CG 3.33Å; K189-D208 IonicContact NZ-OD1 2.81Å; K189-D208 PolarHBondContact NZ-OD1 2.87Å; K189-D208 IonicContact NZ-OD2 2.61Å; K189-D208 PolarHBondContact NZ-OD2 2.96Å; K189-V210 HydrophobicContact CB-CG2 3.98Å
190S89Confident85.9Confident64 Ų6470.5 Ų70.545%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-161.7150.5170.4-162.80000111.9I207 D208S190-I207 WeakPolarHBondContact O-CA 3.14Å; S190-D208 PolarHBondContact N-O 2.93Å; S190-D208 PolarHBondContact O-N 2.84Å
191V92.2Very high85.5Confident21 Ų2165.5 Ų65.513%0.12735%0.35CS..EExtended strand (participates in β ladder)trans-130.1141.8173.1174.20000109.3D175 L178 W179 I188 F206 I207D175-V191 WeakPolarHBondContact O-CG1 3.27Å; L178-V191 HydrophobicContact CB-CG1 3.49Å; L178-V191 VanDerWaalsContact CB-CG1 3.49Å; L178-V191 HydrophobicContact CD1-CG1 4.42Å; W179-V191 HydrophobicContact CB-CG2 4.24Å; W179-V191 HydrophobicContact CD2-CG2 4.3Å; W179-V191 HydrophobicContact CE3-CB 4.14Å; W179-V191 HydrophobicContact CE3-CG2 3.51Å; W179-V191 HydrophobicContact CZ3-CG2 4.19Å; I188-V191 HydrophobicContact CG2-CG2 3.67Å; V191-F206 WeakPolarHBondContact CA-O 3.4Å; V191-I207 HydrophobicContact CG2-CG1 4.25Å; V191-I207 HydrophobicContact CG2-CG2 4.1Å
192K90.1Very high85.4Confident95 Ų9569 Ų6941%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-151.1109.9168.6-162.972.5-150.580.20113D175 G205 F206D175-K192 WeakPolarHBondContact OD1-CA 3.11Å; D175-K192 IonicContact OD1-NZ 3.55Å; D175-K192 PolarHBondContact OD1-NZ 3.47Å; D175-K192 IonicContact OD2-NZ 2.66Å; D175-K192 PolarHBondContact OD2-NZ 3.11Å; K192-G205 CarbonylContact O-C 3.58Å; K192-G205 WeakPolarHBondContact O-CA 3.46Å; K192-F206 PolarHBondContact N-O 2.95Å; K192-F206 PolarHBondContact O-N 3.02Å
193A90.8Very high85.5Confident1 Ų169.9 Ų69.91%0.00837%0.37CS..EExtended strand (participates in β ladder)trans-59.9134.9156.200000109.6D175 L178 T195D175-A193 WeakPolarHBondContact OD1-CA 3.49Å; D175-A193 VanDerWaalsContact OD1-CB 3.25Å; D175-A193 WeakPolarHBondContact OD1-CB 3.41Å; D175-A193 PolarHBondContact OD1-N 3.22Å; L178-A193 VanDerWaalsContact CD1-CA 3.48Å; L178-A193 HydrophobicContact CD1-CB 3.66Å; A193-T195 PolarHBondContact O-N 3.01Å
194A88Confident86Confident15 Ų1568.7 Ų68.712%0.12436%0.355CS..EExtended strand (participates in β ladder)trans-82.695.7166.100000108.8R202 Y204A194-R202 HydrophobicContact CB-CB 4.5Å; A194-R202 WeakPolarHBondContact O-CB 3.38Å; A194-R202 WeakPolarHBondContact O-CG 3.44Å; A194-R202 PolarHBondContact O-N 3.03Å; A194-Y204 HydrophobicContact CB-CD1 4.19Å; A194-Y204 HydrophobicContact CB-CD2 3.65Å; A194-Y204 HydrophobicContact CB-CE1 3.8Å; A194-Y204 HydrophobicContact CB-CE2 3.23Å; A194-Y204 HydrophobicContact CB-CG 4.13Å; A194-Y204 WeakPolarHBondContact CB-O 3.31Å; A194-Y204 PolarHBondContact N-O 3.26Å
195T86.5Confident86.3Confident57 Ų5765.7 Ų65.735%0.3534%0.339SS..EExtended strand (participates in β ladder)trans-80.8152.1168.2530000110.7A193 T199 K200 R202A193-T195 PolarHBondContact O-N 3.01Å; T195-T199 WeakPolarHBondContact CB-O 3.39Å; T195-T199 WeakPolarHBondContact CG2-O 3.44Å; T195-K200 CarbonylContact C-O 3.56Å; T195-K200 WeakPolarHBondContact CA-O 3.43Å; T195-R202 WeakPolarHBondContact O-CD 3.34Å
196D81.1Confident86.7Confident59 Ų5965.4 Ų65.432%0.31634%0.337SS..  trans-92.7-178.4168.2-127.4-37.5000111.1D198 T199 K200 R202D196-D198 PolarHBondContact O-N 3.02Å; D196-T199 WeakPolarHBondContact O-CA 3.18Å; D196-T199 PolarHBondContact O-N 3.22Å; D196-K200 PolarHBondContact N-O 3.21Å; D196-R202 HydrophobicContact CB-CG 3.73Å; D196-R202 VanDerWaalsContact CG-NE 3.27Å; D196-R202 IonicContact OD1-NE 3.71Å; D196-R202 WeakPolarHBondContact OD2-CD 3.16Å; D196-R202 IonicContact OD2-CZ 2.92Å; D196-R202 IonicContact OD2-NE 3.86Å; D196-R202 PolarHBondContact OD2-NE 3.33Å; D196-R202 IonicContact OD2-NH2 2.75Å; D196-R202 PolarHBondContact OD2-NH2 2.81Å
197E77.5Confident87Confident128 Ų12859.2 Ų59.260%0.59830%0.299SS*.THydrogen-bonded Turntrans-60.6-30.8-176-61.7-177.6179.300112.8T199 L281E197-T199 PolarHBondContact O-N 3.44Å; E197-T199 VanDerWaalsContact O-N 3.16Å; E197-L281 HydrophobicContact CB-CD1 4.3Å
198D75.2Confident87.1Confident142 Ų14258 Ų5876%0.75930%0.295SS*.THydrogen-bonded Turntrans-79.520173.7-56.9-55.9000114D196 K200D196-D198 PolarHBondContact O-N 3.02Å; D198-K200 PolarHBondContact O-N 2.66Å
199T75.6Confident87.2Confident112 Ų11257.4 Ų57.469%0.68729%0.292SS*.SBendtrans57.6-12.4-169.363.90000117T195 D196 E197T195-T199 WeakPolarHBondContact CB-O 3.39Å; T195-T199 WeakPolarHBondContact CG2-O 3.44Å; D196-T199 WeakPolarHBondContact O-CA 3.18Å; D196-T199 PolarHBondContact O-N 3.22Å; E197-T199 PolarHBondContact O-N 3.44Å; E197-T199 VanDerWaalsContact O-N 3.16Å
200K78.5Confident87.3Confident99 Ų9956.3 Ų56.343%0.4330%0.296SS..  trans-59.6141179.8-168.9178.1-176.4-171.70112.5E171 T195 D196 D198E171-K200 HydrophobicContact CB-CG 4.34Å; E171-K200 WeakPolarHBondContact OE1-CE 3.17Å; E171-K200 IonicContact OE1-NZ 2.79Å; E171-K200 PolarHBondContact OE1-NZ 3.23Å; E171-K200 WeakPolarHBondContact OE2-CE 3.38Å; E171-K200 IonicContact OE2-NZ 2.73Å; E171-K200 PolarHBondContact OE2-NZ 3.11Å; T195-K200 CarbonylContact C-O 3.56Å; T195-K200 WeakPolarHBondContact CA-O 3.43Å; D196-K200 PolarHBondContact N-O 3.21Å; D198-K200 PolarHBondContact O-N 2.66Å
201C81.6Confident87.4Confident7 Ų755.6 Ų55.65%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-78.6129.7-176.6-68.80000112.4E171 F173 G203E171-C201 WeakPolarHBondContact O-CB 3.38Å; E171-C201 PolarHBondContact O-N 2.72Å; F173-C201 VanDerWaalsContact C-SG 3.54Å; F173-C201 PolarHBondContact O-SG 3.38Å; C201-G203 PolarHBondContact O-N 3.43Å
202R86.1Confident87.4Confident96 Ų9658.1 Ų58.136%0.36230%0.301SS..EExtended strand (participates in β ladder)trans-79.918.8-173.8-54.1174.487.7-134.13.1113.7A194 T195 D196 Y204A194-R202 HydrophobicContact CB-CB 4.5Å; A194-R202 WeakPolarHBondContact O-CB 3.38Å; A194-R202 WeakPolarHBondContact O-CG 3.44Å; A194-R202 PolarHBondContact O-N 3.03Å; T195-R202 WeakPolarHBondContact O-CD 3.34Å; D196-R202 HydrophobicContact CB-CG 3.73Å; D196-R202 VanDerWaalsContact CG-NE 3.27Å; D196-R202 IonicContact OD1-NE 3.71Å; D196-R202 WeakPolarHBondContact OD2-CD 3.16Å; D196-R202 IonicContact OD2-CZ 2.92Å; D196-R202 IonicContact OD2-NE 3.86Å; D196-R202 PolarHBondContact OD2-NE 3.33Å; D196-R202 IonicContact OD2-NH2 2.75Å; D196-R202 PolarHBondContact OD2-NH2 2.81Å; R202-Y204 VanDerWaalsContact C-N 3.31Å; R202-Y204 HydrophobicContact CB-CD1 4.12Å; R202-Y204 HydrophobicContact CB-CE1 3.88Å; R202-Y204 PolarHBondContact NH1-OH 3.16Å; R202-Y204 WeakPolarHBondContact O-CD1 3.5Å; R202-Y204 PolarHBondContact O-N 3.34Å
203G89.1Confident87.6Confident18 Ų1858.8 Ų58.819%0.18631%0.309CS..EExtended strand (participates in β ladder)trans69.916.7-178.400000116G168 L169 C201G168-G203 PolarHBondContact N-O 3.04Å; L169-G203 PolarHBondContact N-O 3.15Å; L169-G203 VanDerWaalsContact O-CA 3.27Å; L169-G203 WeakPolarHBondContact O-CA 3.37Å; C201-G203 PolarHBondContact O-N 3.43Å
204Y92.1Very high87.7Confident61 Ų6159 Ų5924%0.23931%0.311CS..EExtended strand (participates in β ladder)trans-150.5160173.973.4-89000113.4Y165 I166 A194 R202 F206Y165-Y204 HydrophobicContact CD2-CD2 4.26Å; Y165-Y204 AromaticContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CD2 3.52Å; Y165-Y204 HydrophobicContact CE2-CE2 4.28Å; Y165-Y204 AromaticContact CE2-CG 3.89Å; Y165-Y204 HydrophobicContact CE2-CG 3.89Å; I166-Y204 CarbonylContact O-C 3.59Å; I166-Y204 WeakPolarHBondContact O-CA 3.24Å; I166-Y204 VanDerWaalsContact O-CB 3.31Å; I166-Y204 WeakPolarHBondContact O-CB 3.17Å; A194-Y204 HydrophobicContact CB-CD1 4.19Å; A194-Y204 HydrophobicContact CB-CD2 3.65Å; A194-Y204 HydrophobicContact CB-CE1 3.8Å; A194-Y204 HydrophobicContact CB-CE2 3.23Å; A194-Y204 HydrophobicContact CB-CG 4.13Å; A194-Y204 WeakPolarHBondContact CB-O 3.31Å; A194-Y204 PolarHBondContact N-O 3.26Å; R202-Y204 VanDerWaalsContact C-N 3.31Å; R202-Y204 HydrophobicContact CB-CD1 4.12Å; R202-Y204 HydrophobicContact CB-CE1 3.88Å; R202-Y204 PolarHBondContact NH1-OH 3.16Å; R202-Y204 WeakPolarHBondContact O-CD1 3.5Å; R202-Y204 PolarHBondContact O-N 3.34Å; Y204-F206 HydrophobicContact CD2-CE2 4.1Å; Y204-F206 HydrophobicContact CD2-CZ 4.41Å; Y204-F206 AromaticContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CZ 4.19Å
205G92.6Very high87.9Confident0 Ų058.3 Ų58.30%031%0.305CS..EExtended strand (participates in β ladder)trans-158.5-178.9177.100000112.8I166 K192I166-G205 PolarHBondContact N-O 2.71Å; I166-G205 PolarHBondContact O-N 3.03Å; K192-G205 CarbonylContact O-C 3.58Å; K192-G205 WeakPolarHBondContact O-CA 3.46Å
206F93.7Very high88.2Confident72 Ų7258.3 Ų58.332%0.31630%0.303SS..EExtended strand (participates in β ladder)trans-131.4142-177.2-59.1-88.1000111L164 Y165 V191 K192 Y204 A234L164-F206 CarbonylContact O-C 3.48Å; L164-F206 VanDerWaalsContact O-CA 3.26Å; L164-F206 WeakPolarHBondContact O-CA 3.46Å; Y165-F206 HydrophobicContact CD2-CD1 4.2Å; Y165-F206 AromaticContact CD2-CE1 3.61Å; Y165-F206 HydrophobicContact CD2-CE1 3.61Å; Y165-F206 AromaticContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CD2-CZ 3.9Å; Y165-F206 HydrophobicContact CE2-CZ 4.39Å; Y165-F206 HydrophobicContact CG-CE1 4.38Å; V191-F206 WeakPolarHBondContact CA-O 3.4Å; K192-F206 PolarHBondContact N-O 2.95Å; K192-F206 PolarHBondContact O-N 3.02Å; Y204-F206 HydrophobicContact CD2-CE2 4.1Å; Y204-F206 HydrophobicContact CD2-CZ 4.41Å; Y204-F206 AromaticContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CE2 3.86Å; Y204-F206 HydrophobicContact CE2-CZ 4.19Å; F206-A234 HydrophobicContact CD1-CB 4.11Å; F206-A234 HydrophobicContact CE1-CB 4.24Å
207I93.6Very high88.8Confident0 Ų059.2 Ų59.20%031%0.305CS..EExtended strand (participates in β ladder)trans-132.7111.6171.6-52.5-175.3000108.4N163 L164 I166 L178 P182 I188 S190 V191 F209N163-I207 CarbonylContact C-O 3.53Å; N163-I207 WeakPolarHBondContact CA-O 3.38Å; N163-I207 PolarHBondContact OD1-O 2.91Å; L164-I207 PolarHBondContact N-O 2.94Å; L164-I207 PolarHBondContact O-N 3.4Å; I166-I207 HydrophobicContact CD1-CD1 3.6Å; I166-I207 HydrophobicContact CD1-CG1 4Å; L178-I207 HydrophobicContact CD2-CD1 4.11Å; L178-I207 HydrophobicContact CD2-CG1 4.21Å; L178-I207 VanDerWaalsContact O-CD1 3.3Å; L178-I207 WeakPolarHBondContact O-CD1 3.39Å; P182-I207 HydrophobicContact CG-CD1 3.99Å; P182-I207 HydrophobicContact CG-CG2 4.47Å; I188-I207 HydrophobicContact CG1-CG2 4.34Å; I188-I207 HydrophobicContact CG2-CG2 4Å; S190-I207 WeakPolarHBondContact O-CA 3.14Å; V191-I207 HydrophobicContact CG2-CG1 4.25Å; V191-I207 HydrophobicContact CG2-CG2 4.1Å; I207-F209 HydrophobicContact CB-CE2 3.96Å; I207-F209 HydrophobicContact CB-CZ 4.46Å; I207-F209 HydrophobicContact CG2-CD2 4.03Å; I207-F209 HydrophobicContact CG2-CE1 4.34Å; I207-F209 HydrophobicContact CG2-CE2 3.38Å; I207-F209 HydrophobicContact CG2-CZ 3.56Å
208D92.6Very high89.5Confident33 Ų3353.3 Ų53.318%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-97124.3175.9-175.730.3000109.8T162 N163 K189 S190T162-D208 WeakPolarHBondContact CB-OD1 3.43Å; T162-D208 PolarHBondContact OG1-OD1 2.92Å; N163-D208 HydrophobicContact CB-CB 3.99Å; K189-D208 CarbonylContact C-O 3.48Å; K189-D208 WeakPolarHBondContact CA-O 3.19Å; K189-D208 WeakPolarHBondContact CB-O 3.31Å; K189-D208 PolarHBondContact N-O 3.24Å; K189-D208 VanDerWaalsContact NZ-CG 3.33Å; K189-D208 IonicContact NZ-OD1 2.81Å; K189-D208 PolarHBondContact NZ-OD1 2.87Å; K189-D208 IonicContact NZ-OD2 2.61Å; K189-D208 PolarHBondContact NZ-OD2 2.96Å; S190-D208 PolarHBondContact N-O 2.93Å; S190-D208 PolarHBondContact O-N 2.84Å
209F94.3Very high90.2Very high2 Ų248.1 Ų48.11%0.00925%0.25CS..EExtended strand (participates in β ladder)trans-97.9170.3-178.2-70.1-93.5000112.3T162 L164 P182 K187 I188 I207 A214 A215 A218T162-F209 WeakPolarHBondContact O-CD2 3.19Å; T162-F209 PolarHBondContact O-N 2.75Å; L164-F209 HydrophobicContact CD1-CD2 4.48Å; L164-F209 HydrophobicContact CD1-CE2 3.73Å; L164-F209 HydrophobicContact CD1-CZ 4.5Å; L164-F209 HydrophobicContact CG-CD2 4.32Å; L164-F209 HydrophobicContact CG-CE2 3.95Å; P182-F209 HydrophobicContact CB-CE1 4.13Å; P182-F209 HydrophobicContact CB-CZ 4.05Å; P182-F209 HydrophobicContact CG-CE1 4.17Å; P182-F209 HydrophobicContact CG-CZ 3.75Å; K187-F209 HydrophobicContact CB-CD1 4.11Å; K187-F209 CarbonylContact O-C 3.57Å; K187-F209 WeakPolarHBondContact O-CA 3.28Å; K187-F209 WeakPolarHBondContact O-CD1 3.44Å; I188-F209 HydrophobicContact CG1-CD1 4.32Å; I188-F209 HydrophobicContact CG1-CE1 3.9Å; I188-F209 HydrophobicContact CG1-CZ 4.49Å; I207-F209 HydrophobicContact CB-CE2 3.96Å; I207-F209 HydrophobicContact CB-CZ 4.46Å; I207-F209 HydrophobicContact CG2-CD2 4.03Å; I207-F209 HydrophobicContact CG2-CE1 4.34Å; I207-F209 HydrophobicContact CG2-CE2 3.38Å; I207-F209 HydrophobicContact CG2-CZ 3.56Å; F209-A214 HydrophobicContact CB-CB 4.13Å; F209-A214 HydrophobicContact CD1-CB 4.03Å; F209-A214 HydrophobicContact CG-CB 4.35Å; F209-A215 HydrophobicContact CB-CB 4.24Å; F209-A215 HydrophobicContact CD2-CB 3.86Å; F209-A215 HydrophobicContact CG-CB 4.22Å; F209-A218 HydrophobicContact CE1-CB 3.77Å; F209-A218 HydrophobicContact CE2-CB 3.96Å; F209-A218 HydrophobicContact CZ-CB 3.29Å
210V92.4Very high91Very high101 Ų10147.9 Ų47.961%0.61224%0.241SC*.SBendtrans-79.6-32.6175.6178.60000112.3K187 K189K187-V210 WeakPolarHBondContact O-CG2 3.13Å; K187-V210 PolarHBondContact O-N 2.73Å; K189-V210 HydrophobicContact CB-CG2 3.98Å
211S91.9Very high91.5Very high48 Ų4846.3 Ų46.334%0.33624%0.236SC..SBendtrans-126.3160.9175.7-161.70000112.9D213 A215S211-D213 PolarHBondContact OG-OD2 2.96Å; S211-A215 PolarHBondContact O-N 3.42Å
212E93Very high91.9Very high75 Ų7546 Ų4635%0.3523%0.234SC..Hα-helixtrans-66.8-38169.6176.3167.8-178.300111.1R161 A214 A215 N216R161-E212 HydrophobicContact CB-CB 4.33Å; R161-E212 HydrophobicContact CB-CG 3.94Å; R161-E212 VanDerWaalsContact CD-OE1 3.31Å; R161-E212 WeakPolarHBondContact CD-OE1 3.46Å; R161-E212 WeakPolarHBondContact CD-OE2 3.25Å; R161-E212 IonicContact CZ-OE2 2.65Å; R161-E212 IonicContact NE-OE2 3.6Å; R161-E212 IonicContact NH1-OE1 2.72Å; R161-E212 IonicContact NH1-OE2 2.59Å; R161-E212 PolarHBondContact NH1-OE2 2.89Å; E212-A214 PolarHBondContact O-N 2.69Å; E212-A215 PolarHBondContact O-N 3.35Å; E212-N216 PolarHBondContact O-N 3.28Å; E212-N216 PolarHBondContact O-ND2 2.84Å
213D93.1Very high92.1Very high108 Ų10847.5 Ų47.558%0.57824%0.243SC*.Hα-helixtrans-62.4-46.4177.6-35.8-77.5000110.8S211 A215 N216 E217S211-D213 PolarHBondContact OG-OD2 2.96Å; D213-A215 VanDerWaalsContact C-N 3.3Å; D213-A215 PolarHBondContact O-N 3.19Å; D213-N216 WeakPolarHBondContact O-CA 3.45Å; D213-N216 WeakPolarHBondContact O-CB 3.3Å; D213-N216 PolarHBondContact O-N 3.02Å; D213-E217 WeakPolarHBondContact O-CG 3.48Å; D213-E217 PolarHBondContact O-N 2.88Å
214A92.7Very high92.1Very high6 Ų653.8 Ų53.85%0.0527%0.267CS..Hα-helixtrans-57.4-40.9176.600000112.9K187 F209 E212 A218K187-A214 HydrophobicContact CB-CB 3.85Å; K187-A214 HydrophobicContact CD-CB 3.7Å; K187-A214 HydrophobicContact CG-CB 4.19Å; F209-A214 HydrophobicContact CB-CB 4.13Å; F209-A214 HydrophobicContact CD1-CB 4.03Å; F209-A214 HydrophobicContact CG-CB 4.35Å; E212-A214 PolarHBondContact O-N 2.69Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.87Å
215A92.9Very high92Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-69.5-34.1176.400000111.9L164 F209 S211 E212 D213 L219 F233L164-A215 HydrophobicContact CD2-CB 4.12Å; L164-A215 HydrophobicContact CG-CB 4.36Å; F209-A215 HydrophobicContact CB-CB 4.24Å; F209-A215 HydrophobicContact CD2-CB 3.86Å; F209-A215 HydrophobicContact CG-CB 4.22Å; S211-A215 PolarHBondContact O-N 3.42Å; E212-A215 PolarHBondContact O-N 3.35Å; D213-A215 VanDerWaalsContact C-N 3.3Å; D213-A215 PolarHBondContact O-N 3.19Å; A215-L219 WeakPolarHBondContact O-CB 3.15Å; A215-L219 PolarHBondContact O-N 3.33Å; A215-F233 HydrophobicContact CB-CE1 3.9Å
216N93.3Very high91.7Very high58 Ų5858.8 Ų58.831%0.3130%0.299SS..Hα-helixtrans-71.2-40.2174.4-78.6-75.8000112.6E212 D213 Q220 F233E212-N216 PolarHBondContact O-N 3.28Å; E212-N216 PolarHBondContact O-ND2 2.84Å; D213-N216 WeakPolarHBondContact O-CA 3.45Å; D213-N216 WeakPolarHBondContact O-CB 3.3Å; D213-N216 PolarHBondContact O-N 3.02Å; N216-Q220 WeakPolarHBondContact O-CG 3.47Å; N216-Q220 PolarHBondContact O-N 3.08Å; N216-Q220 PolarHBondContact O-NE2 3.22Å; N216-F233 WeakPolarHBondContact OD1-CZ 3.42Å
217E92.5Very high91.4Very high78 Ų7860.6 Ų60.636%0.36432%0.318SS..Hα-helixtrans-59.9-53.5173.3-69.9171141.100110.6K187 D213 L219 Q220 Q221K187-E217 IonicContact NZ-OE1 3.69Å; K187-E217 IonicContact NZ-OE2 2.71Å; K187-E217 PolarHBondContact NZ-OE2 3.37Å; D213-E217 WeakPolarHBondContact O-CG 3.48Å; D213-E217 PolarHBondContact O-N 2.88Å; E217-L219 PolarHBondContact O-N 2.99Å; E217-Q220 PolarHBondContact O-N 2.67Å; E217-Q221 WeakPolarHBondContact O-CG 3.44Å; E217-Q221 PolarHBondContact O-N 2.98Å
218A91.9Very high91Very high3 Ų364.6 Ų64.63%0.02535%0.346CS..Hα-helixtrans-63.9-37.5-18000000112.9L164 P182 F209 A214 Q220 Q221 I222L164-A218 HydrophobicContact CD1-CB 4.3Å; P182-A218 HydrophobicContact CB-CB 4.19Å; F209-A218 HydrophobicContact CE1-CB 3.77Å; F209-A218 HydrophobicContact CE2-CB 3.96Å; F209-A218 HydrophobicContact CZ-CB 3.29Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.87Å; A218-Q220 VanDerWaalsContact C-N 3.26Å; A218-Q220 PolarHBondContact O-N 3.21Å; A218-Q221 PolarHBondContact O-N 3.49Å; A218-I222 HydrophobicContact CB-CD1 4.16Å; A218-I222 WeakPolarHBondContact O-CB 3.36Å; A218-I222 WeakPolarHBondContact O-CD1 3.06Å; A218-I222 WeakPolarHBondContact O-CG1 3.41Å; A218-I222 PolarHBondContact O-N 3.01Å
219L91.5Very high90.9Very high33 Ų3364 Ų6417%0.17334%0.342CS..Hα-helixtrans-60.7-35.7176179.3150.6000112.1L164 A215 E217 K223 I231 F233L164-L219 HydrophobicContact CD1-CB 3.95Å; L164-L219 HydrophobicContact CD2-CB 4.23Å; L164-L219 HydrophobicContact CD2-CD1 4Å; A215-L219 WeakPolarHBondContact O-CB 3.15Å; A215-L219 PolarHBondContact O-N 3.33Å; E217-L219 PolarHBondContact O-N 2.99Å; L219-K223 WeakPolarHBondContact O-CB 3.22Å; L219-I231 HydrophobicContact CB-CG2 4.35Å; L219-I231 HydrophobicContact CD1-CG2 4.12Å; L219-I231 HydrophobicContact CG-CB 4.5Å; L219-I231 HydrophobicContact CG-CG2 3.93Å; L219-F233 HydrophobicContact CD1-CD2 4.29Å; L219-F233 HydrophobicContact CD1-CE2 4Å; L219-F233 HydrophobicContact CD1-CZ 4.31Å
220Q91.3Very high90.8Very high108 Ų10867.4 Ų67.451%0.50536%0.363SS..Hα-helixtrans-74.1-55.3176.1-71.516795.600110.5N216 E217 A218 I222 K223 E224N216-Q220 WeakPolarHBondContact O-CG 3.47Å; N216-Q220 PolarHBondContact O-N 3.08Å; N216-Q220 PolarHBondContact O-NE2 3.22Å; E217-Q220 PolarHBondContact O-N 2.67Å; A218-Q220 VanDerWaalsContact C-N 3.26Å; A218-Q220 PolarHBondContact O-N 3.21Å; Q220-I222 PolarHBondContact O-N 3.3Å; Q220-K223 WeakPolarHBondContact O-CB 3.3Å; Q220-K223 PolarHBondContact O-N 2.79Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; Q220-E224 WeakPolarHBondContact O-CG 3.3Å; Q220-E224 PolarHBondContact O-N 3.29Å
221Q90.4Very high90.8Very high66 Ų6663.5 Ų63.531%0.30834%0.339SS..Hα-helixtrans-57.8-46.2-175.6-69.1165.8-8.700113.5P183 E217 A218 K223 E224 T225P183-Q221 VanDerWaalsContact CD-OE1 3.27Å; E217-Q221 WeakPolarHBondContact O-CG 3.44Å; E217-Q221 PolarHBondContact O-N 2.98Å; A218-Q221 PolarHBondContact O-N 3.49Å; Q221-K223 VanDerWaalsContact C-N 3.34Å; Q221-E224 PolarHBondContact O-N 3.3Å; Q221-T225 WeakPolarHBondContact O-CB 3.09Å; Q221-T225 PolarHBondContact O-N 3.14Å; Q221-T225 PolarHBondContact O-OG1 3.3Å
222I90Very high90.8Very high1 Ų167.4 Ų67.41%0.00535%0.35CS..Hα-helixtrans-71.8-31.9-178.7-54.9164.5000110.4L181 P182 A218 Q220 H226 F229 I231L181-I222 HydrophobicContact CB-CD1 3.97Å; L181-I222 HydrophobicContact CB-CG1 4.19Å; L181-I222 HydrophobicContact CB-CG2 4.12Å; L181-I222 HydrophobicContact CD1-CG2 4.07Å; P182-I222 HydrophobicContact CB-CD1 4.26Å; P182-I222 HydrophobicContact CG-CD1 3.95Å; A218-I222 HydrophobicContact CB-CD1 4.16Å; A218-I222 WeakPolarHBondContact O-CB 3.36Å; A218-I222 WeakPolarHBondContact O-CD1 3.06Å; A218-I222 WeakPolarHBondContact O-CG1 3.41Å; A218-I222 PolarHBondContact O-N 3.01Å; Q220-I222 PolarHBondContact O-N 3.3Å; I222-H226 WeakPolarHBondContact O-CA 3.35Å; I222-H226 WeakPolarHBondContact O-CB 3.33Å; I222-H226 PolarHBondContact O-N 3.32Å; I222-F229 HydrophobicContact CG2-CD2 4.37Å; I222-I231 HydrophobicContact CB-CD1 3.49Å; I222-I231 VanDerWaalsContact CB-CD1 3.49Å; I222-I231 HydrophobicContact CG2-CD1 3.51Å
223K89.8Confident90.8Very high127 Ų12766.5 Ų66.555%0.55235%0.345SS*.Hα-helixtrans-71.1-31.9175.6-179.8-173.3171.6-161.60112.4L219 Q220 Q221 P227 I231L219-K223 WeakPolarHBondContact O-CB 3.22Å; Q220-K223 WeakPolarHBondContact O-CB 3.3Å; Q220-K223 PolarHBondContact O-N 2.79Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; Q221-K223 VanDerWaalsContact C-N 3.34Å; K223-P227 WeakPolarHBondContact O-CA 3.26Å; K223-I231 HydrophobicContact CB-CD1 4.21Å
224E89.3Confident90.5Very high150 Ų15061.4 Ų61.470%0.70132%0.318SS*.Hα-helixtrans-74.2-42.2173.3-72.6168.9-171.500111.7Q220 Q221Q220-E224 WeakPolarHBondContact O-CG 3.3Å; Q220-E224 PolarHBondContact O-N 3.29Å; Q221-E224 PolarHBondContact O-N 3.3Å
225T89.6Confident90Very high99 Ų9966.2 Ų66.261%0.60734%0.338SS*.Hα-helixtrans-74.9-35.1-179.4-560000112.3Q221Q221-T225 WeakPolarHBondContact O-CB 3.09Å; Q221-T225 PolarHBondContact O-N 3.14Å; Q221-T225 PolarHBondContact O-OG1 3.3Å
226H86.4Confident89.1Confident66 Ų6669.2 Ų69.231%0.30635%0.352SS..  trans-130.675.5-178.1-60.2-58.6000111.5I222 S228 F229I222-H226 WeakPolarHBondContact O-CA 3.35Å; I222-H226 WeakPolarHBondContact O-CB 3.33Å; I222-H226 PolarHBondContact O-N 3.32Å; H226-S228 PolarHBondContact O-N 2.88Å; H226-F229 HydrophobicContact CB-CB 4.42Å; H226-F229 HydrophobicContact CB-CD2 3.34Å; H226-F229 HydrophobicContact CB-CE2 3.59Å; H226-F229 HydrophobicContact CB-CG 3.88Å; H226-F229 HydrophobicContact CB-CZ 4.32Å; H226-F229 AromaticContact CD2-CE2 3.74Å; H226-F229 AromaticContact CG-CD2 3.88Å; H226-F229 AromaticContact CG-CE2 3.62Å; H226-F229 PolarHBondContact O-N 2.94Å
227P85.9Confident88.1Confident111 Ų11170.3 Ų70.372%0.72136%0.357SS*.THydrogen-bonded Turntrans-64.8-9.6-179.526.4-35.8000114.4K223 F229K223-P227 WeakPolarHBondContact O-CA 3.26Å; P227-F229 VanDerWaalsContact C-N 3.31Å
228S86.6Confident87.4Confident83 Ų8373.4 Ų73.458%0.5837%0.372SS*.THydrogen-bonded Turntrans-71.5-21.9168.649.10000113.5H226H226-S228 PolarHBondContact O-N 2.88Å
229F91Very high86.9Confident20 Ų2078.1 Ų78.19%0.08839%0.392CS..SBendtrans-90.3122.1-175.8-61.1-17000111.6I166 K167 G168 L169 L181 I222 H226 P227 I231I166-F229 HydrophobicContact CG2-CB 4.12Å; I166-F229 HydrophobicContact CG2-CD2 4.36Å; I166-F229 HydrophobicContact CG2-CG 4.33Å; K167-F229 CarbonylContact O-C 3.55Å; K167-F229 WeakPolarHBondContact O-CA 3.48Å; G168-F229 WeakPolarHBondContact O-CD1 3.45Å; G168-F229 VanDerWaalsContact O-CE1 3.26Å; G168-F229 WeakPolarHBondContact O-CE1 3.49Å; L169-F229 HydrophobicContact CD2-CD1 4.46Å; L169-F229 HydrophobicContact CD2-CD2 4.32Å; L169-F229 HydrophobicContact CD2-CE1 4.22Å; L169-F229 HydrophobicContact CD2-CE2 4.07Å; L169-F229 HydrophobicContact CD2-CZ 4.02Å; L181-F229 HydrophobicContact CD1-CD2 4.24Å; L181-F229 HydrophobicContact CD1-CE2 4.01Å; L181-F229 HydrophobicContact CD2-CE2 4.06Å; I222-F229 HydrophobicContact CG2-CD2 4.37Å; H226-F229 HydrophobicContact CB-CB 4.42Å; H226-F229 HydrophobicContact CB-CD2 3.34Å; H226-F229 HydrophobicContact CB-CE2 3.59Å; H226-F229 HydrophobicContact CB-CG 3.88Å; H226-F229 HydrophobicContact CB-CZ 4.32Å; H226-F229 AromaticContact CD2-CE2 3.74Å; H226-F229 AromaticContact CG-CD2 3.88Å; H226-F229 AromaticContact CG-CE2 3.62Å; H226-F229 PolarHBondContact O-N 2.94Å; P227-F229 VanDerWaalsContact C-N 3.31Å; F229-I231 HydrophobicContact CB-CG1 4.32Å; F229-I231 PolarHBondContact O-N 3.4Å
230T91.8Very high86.6Confident74 Ų7477.9 Ų77.945%0.45439%0.391SS..EExtended strand (participates in β ladder)trans-81.696.9169.9-58.10000109.3K167K167-T230 PolarHBondContact N-O 3.01Å; K167-T230 PolarHBondContact O-N 2.83Å
231I92Very high86.5Confident19 Ų1978 Ų7810%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-94.7135.4176-47.7-179.8000109.8L164 Y165 I166 L219 I222 K223 F229L164-I231 HydrophobicContact CB-CG2 4.27Å; L164-I231 HydrophobicContact CD1-CG2 4.1Å; Y165-I231 WeakPolarHBondContact O-CA 3.07Å; I166-I231 HydrophobicContact CG1-CG1 4.29Å; I166-I231 HydrophobicContact CG1-CG2 4.22Å; I166-I231 HydrophobicContact CG2-CG1 4.36Å; L219-I231 HydrophobicContact CB-CG2 4.35Å; L219-I231 HydrophobicContact CD1-CG2 4.12Å; L219-I231 HydrophobicContact CG-CB 4.5Å; L219-I231 HydrophobicContact CG-CG2 3.93Å; I222-I231 HydrophobicContact CB-CD1 3.49Å; I222-I231 VanDerWaalsContact CB-CD1 3.49Å; I222-I231 HydrophobicContact CG2-CD1 3.51Å; K223-I231 HydrophobicContact CB-CD1 4.21Å; F229-I231 HydrophobicContact CB-CG1 4.32Å; F229-I231 PolarHBondContact O-N 3.4Å
232K91.8Very high86.6Confident130 Ų13076.2 Ų76.257%0.56538%0.383SS*.EExtended strand (participates in β ladder)trans-145.3159.8172.5-61.4-170177.9-168.50109.7L164 Y165 A234L164-K232 CarbonylContact C-O 3.48Å; L164-K232 WeakPolarHBondContact CA-O 3.24Å; Y165-K232 PolarHBondContact N-O 3.34Å; Y165-K232 PolarHBondContact O-N 3.19Å; K232-A234 PolarHBondContact O-N 2.9Å
233F92.6Very high86.8Confident56 Ų5677.3 Ų77.325%0.24639%0.389CS..EExtended strand (participates in β ladder)trans-59132.6160.3-71.2-72000109.7M159 S160 R161 L164 A215 N216 L219M159-F233 HydrophobicContact CB-CB 4.4Å; S160-F233 WeakPolarHBondContact O-CD1 3.39Å; R161-F233 WeakPolarHBondContact O-CE1 3.44Å; L164-F233 HydrophobicContact CD2-CD1 3.68Å; L164-F233 HydrophobicContact CD2-CE1 3.6Å; L164-F233 HydrophobicContact CD2-CG 4.4Å; L164-F233 HydrophobicContact CD2-CZ 4.26Å; A215-F233 HydrophobicContact CB-CE1 3.9Å; N216-F233 WeakPolarHBondContact OD1-CZ 3.42Å; L219-F233 HydrophobicContact CD1-CD2 4.29Å; L219-F233 HydrophobicContact CD1-CE2 4Å; L219-F233 HydrophobicContact CD1-CZ 4.31Å
234A87.1Confident87Confident2 Ų271.3 Ų71.32%0.01736%0.363CS..EExtended strand (participates in β ladder)trans-66.6151.517700000110M159 S160 N163 F206 K232 E236M159-A234 CarbonylContact C-O 3.55Å; M159-A234 WeakPolarHBondContact CA-O 3.49Å; S160-A234 PolarHBondContact N-O 3.4Å; S160-A234 PolarHBondContact OG-O 3.2Å; N163-A234 HydrophobicContact CB-CB 4.35Å; N163-A234 WeakPolarHBondContact O-CB 3.42Å; N163-A234 PolarHBondContact O-N 3.28Å; F206-A234 HydrophobicContact CD1-CB 4.11Å; F206-A234 HydrophobicContact CE1-CB 4.24Å; K232-A234 PolarHBondContact O-N 2.9Å; A234-E236 PolarHBondContact O-N 2.86Å
235K81.5Confident87.2Confident107 Ų10768 Ų6847%0.46535%0.345SS..EExtended strand (participates in β ladder)trans-72.5125.3164.7-177.5178.9-175.4163.30107.6E157 N237E157-K235 IonicContact OE1-NZ 3.64Å; E157-K235 PolarHBondContact OE1-NZ 3.28Å; E157-K235 VanDerWaalsContact OE2-CD 3.27Å; E157-K235 WeakPolarHBondContact OE2-CD 3.26Å; E157-K235 WeakPolarHBondContact OE2-CE 3.37Å; E157-K235 IonicContact OE2-NZ 2.67Å; E157-K235 PolarHBondContact OE2-NZ 2.99Å; K235-N237 PolarHBondContact O-N 3.49Å
236E74.5Confident87.3Confident63 Ų6363.3 Ų63.329%0.29432%0.316SS..PPolyproline II helixtrans-72121170.9-158.5-179161.600108K158 A234 E238K158-E236 IonicContact NZ-OE1 3.96Å; K158-E236 IonicContact NZ-OE2 3.44Å; K158-E236 PolarHBondContact NZ-OE2 2.93Å; K158-E236 WeakPolarHBondContact O-CB 3.07Å; K158-E236 PolarHBondContact O-N 3.2Å; A234-E236 PolarHBondContact O-N 2.86Å; E236-E238 PolarHBondContact O-N 3.02Å
237N72.6Confident87.5Confident81 Ų8161.4 Ų61.443%0.43331%0.309SS..PPolyproline II helixtrans-64.3125.8167.1-73.5-27.4000107.9K235 K239 D326K235-N237 PolarHBondContact O-N 3.49Å; N237-K239 PolarHBondContact O-N 2.56Å; N237-D326 HydrophobicContact CB-CB 3.86Å; N237-D326 VanDerWaalsContact CB-CG 3.45Å; N237-D326 WeakPolarHBondContact CB-OD2 3.47Å; N237-D326 PolarHBondContact ND2-OD2 2.78Å
238E77.9Confident87.7Confident142 Ų14258.8 Ų58.866%0.66429%0.289SS*.PPolyproline II helixtrans-56.5133.3167.4-75.8-177.5-158.600109.3E236 K327E236-E238 PolarHBondContact O-N 3.02Å; E238-K327 HydrophobicContact CB-CD 3.69Å; E238-K327 HydrophobicContact CB-CG 4.28Å; E238-K327 VanDerWaalsContact O-CB 3.25Å; E238-K327 WeakPolarHBondContact O-CB 3.36Å; E238-K327 VanDerWaalsContact O-CG 3.3Å; E238-K327 WeakPolarHBondContact O-CG 3.36Å; E238-K327 PolarHBondContact O-N 3.08Å; E238-K327 WeakPolarHBondContact OE2-CD 3.31Å; E238-K327 WeakPolarHBondContact OE2-CE 3.32Å
239K82.1Confident87.8Confident102 Ų10255 Ų5544%0.44326%0.262SS..EExtended strand (participates in β ladder)trans-92.1139-177.6-67.4173.1-175.7163.40110.8N237 K241 F324 A325N237-K239 PolarHBondContact O-N 2.56Å; K239-K241 PolarHBondContact O-N 3.37Å; K239-K241 VanDerWaalsContact O-N 3.13Å; K239-F324 HydrophobicContact CB-CB 4.11Å; K239-F324 HydrophobicContact CD-CB 4.36Å; K239-A325 CarbonylContact C-O 3.57Å; K239-A325 WeakPolarHBondContact CA-O 3.31Å
240D85.4Confident87.5Confident28 Ų2854.2 Ų54.215%0.1526%0.259CS..EExtended strand (participates in β ladder)trans-76.797.5168.8-95.7-34.6000108.5T242 N243 A325 K327D240-T242 PolarHBondContact O-N 2.94Å; D240-N243 HydrophobicContact CB-CB 3.6Å; D240-N243 PolarHBondContact O-N 2.95Å; D240-N243 VanDerWaalsContact O-O 3.04Å; D240-A325 PolarHBondContact N-O 3.48Å; D240-K327 HydrophobicContact CB-CG 4.24Å; D240-K327 VanDerWaalsContact CG-CG 3.5Å; D240-K327 WeakPolarHBondContact OD1-CG 3.5Å; D240-K327 IonicContact OD1-NZ 3.49Å; D240-K327 PolarHBondContact OD1-NZ 2.69Å
241K88.6Confident87.1Confident110 Ų11059 Ų5948%0.47827%0.268SS..EExtended strand (participates in β ladder)trans-60.2-13.3179.3-53.1-179.1179.6179.20114.7K239 E296 A299 F324K239-K241 PolarHBondContact O-N 3.37Å; K239-K241 VanDerWaalsContact O-N 3.13Å; K241-E296 HydrophobicContact CB-CG 3.93Å; K241-E296 HydrophobicContact CD-CG 4.02Å; K241-E296 WeakPolarHBondContact CD-OE1 3.21Å; K241-E296 WeakPolarHBondContact CD-OE2 3.41Å; K241-E296 WeakPolarHBondContact CE-OE1 3.38Å; K241-E296 IonicContact NZ-OE1 2.66Å; K241-E296 PolarHBondContact NZ-OE1 3.44Å; K241-E296 IonicContact NZ-OE2 3.04Å; K241-E296 PolarHBondContact NZ-OE2 3.19Å; K241-A299 WeakPolarHBondContact O-CB 3.43Å; K241-F324 WeakPolarHBondContact O-CE1 3.36Å
242T91.6Very high86.6Confident30 Ų3061.9 Ų61.918%0.18429%0.287CS..EExtended strand (participates in β ladder)trans-97.7-9.1172.653.30000113.5D240 R292 F293 E296D240-T242 PolarHBondContact O-N 2.94Å; T242-R292 CarbonylContact O-C 3.5Å; T242-R292 VanDerWaalsContact O-CA 3.3Å; T242-R292 WeakPolarHBondContact O-CA 3.38Å; T242-F293 PolarHBondContact O-N 3.25Å; T242-E296 HydrophobicContact CG2-CB 4.36Å
243N94.1Very high86.2Confident24 Ų2456.4 Ų56.413%0.12826%0.263CS..EExtended strand (participates in β ladder)trans-113117.8-175.7-16921.6000110.3D240 R292 A325D240-N243 HydrophobicContact CB-CB 3.6Å; D240-N243 PolarHBondContact O-N 2.95Å; D240-N243 VanDerWaalsContact O-O 3.04Å; N243-R292 HydrophobicContact CB-CB 4.5Å; N243-R292 HydrophobicContact CB-CG 4.27Å; N243-A325 HydrophobicContact CB-CB 4.18Å; N243-A325 WeakPolarHBondContact O-CB 3.4Å; N243-A325 PolarHBondContact O-N 3.18Å
244L94.1Very high85.8Confident0 Ų055.9 Ų55.90%027%0.265CS..EExtended strand (participates in β ladder)trans-96.6126.5174.7-58.5-171.9000110V246 F265 F290 V291 F293 A299 A302 A322 K323 F324L244-V246 HydrophobicContact CB-CG2 4.33Å; L244-F265 HydrophobicContact CD1-CE1 4.3Å; L244-F290 CarbonylContact O-C 3.58Å; L244-F290 VanDerWaalsContact O-CA 3.3Å; L244-F290 WeakPolarHBondContact O-CA 3.47Å; L244-V291 PolarHBondContact N-O 3.38Å; L244-V291 PolarHBondContact O-N 2.66Å; L244-F293 HydrophobicContact CD1-CD2 4.44Å; L244-F293 HydrophobicContact CD1-CE2 3.83Å; L244-F293 HydrophobicContact CG-CD2 4.47Å; L244-F293 HydrophobicContact CG-CE2 4.28Å; L244-A299 HydrophobicContact CD2-CB 4.18Å; L244-A299 HydrophobicContact CG-CB 4.32Å; L244-A302 HydrophobicContact CD1-CB 3.97Å; L244-A322 HydrophobicContact CB-CB 4.5Å; L244-A322 HydrophobicContact CD1-CB 4.17Å; L244-K323 CarbonylContact C-O 3.58Å; L244-K323 WeakPolarHBondContact CA-O 3.45Å; L244-F324 HydrophobicContact CD2-CD1 3.52Å; L244-F324 HydrophobicContact CD2-CE1 3.68Å; L244-F324 HydrophobicContact CD2-CG 4.32Å
245Y93.6Very high85.5Confident82 Ų8259.1 Ų59.132%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-79.7122.3159.9178.1-126000108T247 V288 F290 A322 K323Y245-T247 HydrophobicContact CD1-CG2 3.83Å; Y245-T247 HydrophobicContact CE1-CG2 3.27Å; Y245-T247 HydrophobicContact CE2-CG2 4.33Å; Y245-V288 HydrophobicContact CE2-CB 3.81Å; Y245-V288 HydrophobicContact CE2-CG1 4.44Å; Y245-V288 HydrophobicContact CE2-CG2 3.84Å; Y245-F290 HydrophobicContact CD2-CD1 4.1Å; Y245-F290 AromaticContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE2 4.04Å; Y245-F290 AromaticContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CD2-CZ 3.49Å; Y245-F290 VanDerWaalsContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CE2-CE1 4.4Å; Y245-F290 HydrophobicContact CE2-CE2 4.27Å; Y245-F290 AromaticContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CG-CE1 4.14Å; Y245-F290 HydrophobicContact CG-CZ 4.45Å; Y245-A322 CarbonylContact O-C 3.55Å; Y245-A322 WeakPolarHBondContact O-CA 3.35Å; Y245-K323 PolarHBondContact N-O 3.45Å; Y245-K323 PolarHBondContact O-N 3.08Å
246V92.4Very high85.5Confident0 Ų062.7 Ų62.70%030%0.3CS..EExtended strand (participates in β ladder)trans-111.7127.8-175.7-175.10000108.5L244 L249 L261 F265 V288 G289 V291 V320 E321 A322L244-V246 HydrophobicContact CB-CG2 4.33Å; V246-L249 HydrophobicContact CG1-CD1 4.29Å; V246-L249 HydrophobicContact CG1-CD2 3.69Å; V246-L249 HydrophobicContact CG1-CG 4.03Å; V246-L261 HydrophobicContact CG1-CD1 4.43Å; V246-F265 HydrophobicContact CB-CZ 4.25Å; V246-F265 HydrophobicContact CG1-CE2 3.92Å; V246-F265 HydrophobicContact CG1-CZ 3.62Å; V246-F265 HydrophobicContact CG2-CE1 3.87Å; V246-F265 HydrophobicContact CG2-CE2 4.13Å; V246-F265 HydrophobicContact CG2-CZ 3.52Å; V246-V288 CarbonylContact O-C 3.55Å; V246-V288 WeakPolarHBondContact O-CA 3.49Å; V246-V288 WeakPolarHBondContact O-CB 3.49Å; V246-G289 PolarHBondContact N-O 2.82Å; V246-G289 PolarHBondContact O-N 3.46Å; V246-V291 HydrophobicContact CG2-CB 4.34Å; V246-V291 HydrophobicContact CG2-CG2 3.87Å; V246-V320 HydrophobicContact CG1-CG1 3.42Å; V246-V320 VanDerWaalsContact CG1-CG1 3.42Å; V246-E321 CarbonylContact C-O 3.52Å; V246-E321 WeakPolarHBondContact CA-O 3.43Å; V246-A322 HydrophobicContact CG2-CB 4.36Å
247T90.7Very high86Confident25 Ų2561.3 Ų61.315%0.15330%0.295CS..EExtended strand (participates in β ladder)trans-122.2156.5-175.848.80000111.6Y245 V288 E321Y245-T247 HydrophobicContact CD1-CG2 3.83Å; Y245-T247 HydrophobicContact CE1-CG2 3.27Å; Y245-T247 HydrophobicContact CE2-CG2 4.33Å; T247-V288 HydrophobicContact CG2-CB 4.42Å; T247-V288 HydrophobicContact CG2-CG1 3.89Å; T247-E321 PolarHBondContact N-O 2.81Å; T247-E321 PolarHBondContact O-N 2.83Å; T247-E321 VanDerWaalsContact O-N 3.08Å; T247-E321 WeakPolarHBondContact OG1-CB 3.47Å
248N89.3Confident86.7Confident56 Ų5658.2 Ų58.230%0.29928%0.279SS..SBendtrans63.444.2-177.1-174.761.1000112.8G287 C316 V318 P319N248-G287 WeakPolarHBondContact CA-O 3.35Å; N248-G287 PolarHBondContact N-O 3.35Å; N248-C316 PolarHBondContact O-SG 2.84Å; N248-C316 VanDerWaalsContact O-SG 3.35Å; N248-V318 VanDerWaalsContact ND2-CB 3.29Å; N248-V318 WeakPolarHBondContact ND2-CB 3.49Å; N248-V318 WeakPolarHBondContact ND2-CG1 3.43Å; N248-V318 PolarHBondContact ND2-O 2.98Å; N248-P319 PolarHBondContact ND2-O 2.74Å
249L89Confident87.2Confident4 Ų457.1 Ų57.12%0.02128%0.278CS..  trans-78156.4164.2-62.4179.9000110.7V246 W253 L261 V276 G287 L313 V320V246-L249 HydrophobicContact CG1-CD1 4.29Å; V246-L249 HydrophobicContact CG1-CD2 3.69Å; V246-L249 HydrophobicContact CG1-CG 4.03Å; L249-W253 HydrophobicContact CB-CE3 4.26Å; L249-W253 HydrophobicContact CD1-CE3 4.29Å; L249-W253 HydrophobicContact CD1-CZ3 4.49Å; L249-W253 HydrophobicContact CD2-CE3 4.23Å; L249-W253 HydrophobicContact CD2-CZ3 3.9Å; L249-L261 HydrophobicContact CD1-CD1 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.08Å; L249-L261 HydrophobicContact CD2-CD1 3.94Å; L249-V276 HydrophobicContact CD1-CG2 4.37Å; L249-G287 PolarHBondContact N-O 2.89Å; L249-G287 WeakPolarHBondContact O-CA 3.39Å; L249-L313 HydrophobicContact CD2-CD1 4.17Å; L249-V320 HydrophobicContact CD2-CG1 4.02Å; L249-V320 HydrophobicContact CD2-CG2 4.19Å
250P84.9Confident87.5Confident3 Ų356.6 Ų56.62%0.01928%0.277CS..  trans-53.1140179.7-30.136.4000113.3T252 W253 L313 D315 C316P250-T252 WeakPolarHBondContact CB-OG1 3.35Å; P250-T252 PolarHBondContact O-N 2.83Å; P250-W253 HydrophobicContact CB-CB 4.4Å; P250-W253 HydrophobicContact CB-CD2 4.38Å; P250-W253 HydrophobicContact CB-CG 3.96Å; P250-W253 HydrophobicContact CG-CD2 4Å; P250-W253 HydrophobicContact CG-CG 4.1Å; P250-W253 PolarHBondContact O-N 2.83Å; P250-W253 VanDerWaalsContact O-N 3.11Å; P250-L313 HydrophobicContact CG-CB 4.07Å; P250-L313 HydrophobicContact CG-CD1 3.95Å; P250-D315 HydrophobicContact CB-CB 3.76Å; P250-D315 HydrophobicContact CG-CB 4.01Å; P250-C316 VanDerWaalsContact CD-SG 3.6Å; P250-C316 VanDerWaalsContact N-SG 3.4Å
251R83.3Confident87.7Confident174 Ų17455.2 Ų55.266%0.65727%0.27SS*.THydrogen-bonded Turntrans-74.4-2.3171.1-61.8-169.5-172.1-75.10.2113.1T285R251-T285 VanDerWaalsContact C-OG1 3.27Å; R251-T285 VanDerWaalsContact CA-OG1 3.25Å; R251-T285 WeakPolarHBondContact CA-OG1 3.39Å; R251-T285 WeakPolarHBondContact O-CB 3.34Å; R251-T285 WeakPolarHBondContact O-CG2 3.3Å; R251-T285 PolarHBondContact O-OG1 3.37Å
252T82Confident87.9Confident81 Ų8153.1 Ų53.150%0.49726%0.26SS..THydrogen-bonded Turntrans-81-24166.849.50000112.6P250 T254 D315P250-T252 WeakPolarHBondContact CB-OG1 3.35Å; P250-T252 PolarHBondContact O-N 2.83Å; T252-T254 PolarHBondContact O-N 3.04Å; T252-D315 WeakPolarHBondContact CB-OD2 3.5Å; T252-D315 WeakPolarHBondContact CG2-OD2 3.4Å; T252-D315 PolarHBondContact OG1-OD2 2.84Å
253W83.9Confident87.9Confident14 Ų1454.7 Ų54.75%0.05328%0.276CS..  trans-80.2120.6-174.1-77.510.1000112.9L249 P250 D257 Q260 L261 V264 V276 T285 L313L249-W253 HydrophobicContact CB-CE3 4.26Å; L249-W253 HydrophobicContact CD1-CE3 4.29Å; L249-W253 HydrophobicContact CD1-CZ3 4.49Å; L249-W253 HydrophobicContact CD2-CE3 4.23Å; L249-W253 HydrophobicContact CD2-CZ3 3.9Å; P250-W253 HydrophobicContact CB-CB 4.4Å; P250-W253 HydrophobicContact CB-CD2 4.38Å; P250-W253 HydrophobicContact CB-CG 3.96Å; P250-W253 HydrophobicContact CG-CD2 4Å; P250-W253 HydrophobicContact CG-CG 4.1Å; P250-W253 PolarHBondContact O-N 2.83Å; P250-W253 VanDerWaalsContact O-N 3.11Å; W253-D257 HydrophobicContact CB-CB 4.02Å; W253-D257 HydrophobicContact CD2-CB 4.41Å; W253-D257 HydrophobicContact CG-CB 3.92Å; W253-Q260 HydrophobicContact CH2-CB 3.99Å; W253-Q260 HydrophobicContact CZ2-CB 3.61Å; W253-L261 HydrophobicContact CE3-CB 4.29Å; W253-L261 HydrophobicContact CH2-CB 4.48Å; W253-L261 HydrophobicContact CZ3-CB 3.73Å; W253-L261 HydrophobicContact CZ3-CD1 4.02Å; W253-L261 HydrophobicContact CZ3-CG 4.47Å; W253-V264 HydrophobicContact CH2-CG2 4.11Å; W253-V276 HydrophobicContact CB-CG1 4.34Å; W253-V276 HydrophobicContact CB-CG2 4.43Å; W253-V276 HydrophobicContact CE3-CG2 4.12Å; W253-T285 WeakPolarHBondContact O-CG2 3.39Å; W253-L313 HydrophobicContact CH2-CD1 3.63Å; W253-L313 HydrophobicContact CH2-CD2 4.34Å; W253-L313 HydrophobicContact CZ2-CD1 4Å; W253-L313 HydrophobicContact CZ2-CD2 4.42Å; W253-L313 HydrophobicContact CZ3-CD1 4Å
254T83.2Confident87.7Confident46 Ų4654.4 Ų54.428%0.28228%0.276SS..  trans-99.4178174.571.40000111T252 K256 D257 V276 M278 T285T252-T254 PolarHBondContact O-N 3.04Å; T254-K256 PolarHBondContact O-N 3.29Å; T254-K256 VanDerWaalsContact O-N 3.13Å; T254-K256 WeakPolarHBondContact OG1-CB 3.37Å; T254-K256 PolarHBondContact OG1-N 3.33Å; T254-K256 VanDerWaalsContact OG1-N 3.14Å; T254-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 WeakPolarHBondContact CB-OD2 3.46Å; T254-D257 PolarHBondContact N-OD2 3.03Å; T254-D257 WeakPolarHBondContact O-CB 3.35Å; T254-D257 PolarHBondContact O-N 3.32Å; T254-D257 PolarHBondContact OG1-OD2 3.49Å; T254-V276 WeakPolarHBondContact O-CB 3.31Å; T254-M278 HydrophobicContact CG2-SD 4.32Å; T254-T285 HydrophobicContact CG2-CG2 4.41Å
255T81.9Confident87.6Confident70 Ų7054.4 Ų54.443%0.42928%0.276SS..G310 helixtrans-59.8-19.6170.3-58.40000113.2D257 S258 V276 M278T255-D257 VanDerWaalsContact C-N 3.3Å; T255-S258 WeakPolarHBondContact O-CB 3.06Å; T255-S258 PolarHBondContact O-OG 2.94Å; T255-V276 PolarHBondContact OG1-O 2.81Å; T255-M278 PolarHBondContact N-SD 2.92Å; T255-M278 WeakPolarHBondContact OG1-CE 3.37Å; T255-M278 WeakPolarHBondContact OG1-CG 3.39Å
256K81Confident87.5Confident182 Ų18254.5 Ų54.579%0.79128%0.279SS*.G310 helixtrans-69.4-29.1170.8-60.4-177.5178.5-179.20112.4T254 S258T254-K256 PolarHBondContact O-N 3.29Å; T254-K256 VanDerWaalsContact O-N 3.13Å; T254-K256 WeakPolarHBondContact OG1-CB 3.37Å; T254-K256 PolarHBondContact OG1-N 3.33Å; T254-K256 VanDerWaalsContact OG1-N 3.14Å; K256-S258 PolarHBondContact O-N 2.86Å
257D84.8Confident87.4Confident34 Ų3462.1 Ų62.118%0.18231%0.308CS..G310 helixtrans-85.810.2-177.7-51.5-75.8000112.4W253 T254 T255 D259 Q260 L261W253-D257 HydrophobicContact CB-CB 4.02Å; W253-D257 HydrophobicContact CD2-CB 4.41Å; W253-D257 HydrophobicContact CG-CB 3.92Å; T254-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 WeakPolarHBondContact CB-OD2 3.46Å; T254-D257 PolarHBondContact N-OD2 3.03Å; T254-D257 WeakPolarHBondContact O-CB 3.35Å; T254-D257 PolarHBondContact O-N 3.32Å; T254-D257 PolarHBondContact OG1-OD2 3.49Å; T255-D257 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact O-N 2.89Å; D257-Q260 HydrophobicContact CB-CG 4.17Å; D257-Q260 WeakPolarHBondContact O-CA 3.44Å; D257-Q260 VanDerWaalsContact O-CB 3.3Å; D257-Q260 WeakPolarHBondContact O-CB 3.44Å; D257-Q260 PolarHBondContact O-N 3.04Å; D257-Q260 PolarHBondContact OD1-NE2 3.24Å; D257-L261 PolarHBondContact O-N 3.29Å; D257-L261 VanDerWaalsContact O-N 3.11Å
258S86.6Confident87.4Confident15 Ų1562.9 Ų62.911%0.10531%0.309CS..Hα-helixtrans-56.2-30.8171.6-59.90000112.8T255 K256 L261 K262 F275 V276T255-S258 WeakPolarHBondContact O-CB 3.06Å; T255-S258 PolarHBondContact O-OG 2.94Å; K256-S258 PolarHBondContact O-N 2.86Å; S258-L261 PolarHBondContact O-N 3.46Å; S258-K262 PolarHBondContact O-N 2.66Å; S258-F275 WeakPolarHBondContact OG-CA 3.36Å; S258-V276 PolarHBondContact OG-N 2.83Å; S258-V276 VanDerWaalsContact OG-N 3.13Å
259D89.3Confident87.5Confident120 Ų12061 Ų6164%0.64230%0.303SS*.Hα-helixtrans-71.8-29.2173.6-66.9-47000112.6D257 K262 A263D257-D259 PolarHBondContact O-N 2.89Å; D259-K262 PolarHBondContact O-N 3.35Å; D259-A263 WeakPolarHBondContact O-CB 3.46Å; D259-A263 PolarHBondContact O-N 3.32Å
260Q88Confident87.7Confident90 Ų9067.1 Ų67.142%0.42133%0.331SS..Hα-helixtrans-68.4-44.9170.6-51.4-166.936.500110.3W253 D257 K262 A263 V264W253-Q260 HydrophobicContact CH2-CB 3.99Å; W253-Q260 HydrophobicContact CZ2-CB 3.61Å; D257-Q260 HydrophobicContact CB-CG 4.17Å; D257-Q260 WeakPolarHBondContact O-CA 3.44Å; D257-Q260 VanDerWaalsContact O-CB 3.3Å; D257-Q260 WeakPolarHBondContact O-CB 3.44Å; D257-Q260 PolarHBondContact O-N 3.04Å; D257-Q260 PolarHBondContact OD1-NE2 3.24Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.31Å; Q260-A263 PolarHBondContact O-N 2.89Å; Q260-V264 WeakPolarHBondContact O-CG2 3.43Å; Q260-V264 PolarHBondContact O-N 3.46Å
261L90.3Very high88.1Confident0 Ų067.8 Ų67.80%034%0.335CS..Hα-helixtrans-58.2-41.8173.4177.863.2000111.3V246 L249 W253 D257 S258 F265 A274 V276 V291V246-L261 HydrophobicContact CG1-CD1 4.43Å; L249-L261 HydrophobicContact CD1-CD1 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.08Å; L249-L261 HydrophobicContact CD2-CD1 3.94Å; W253-L261 HydrophobicContact CE3-CB 4.29Å; W253-L261 HydrophobicContact CH2-CB 4.48Å; W253-L261 HydrophobicContact CZ3-CB 3.73Å; W253-L261 HydrophobicContact CZ3-CD1 4.02Å; W253-L261 HydrophobicContact CZ3-CG 4.47Å; D257-L261 PolarHBondContact O-N 3.29Å; D257-L261 VanDerWaalsContact O-N 3.11Å; S258-L261 PolarHBondContact O-N 3.46Å; L261-F265 HydrophobicContact CD1-CD2 3.78Å; L261-F265 HydrophobicContact CD1-CE2 3.69Å; L261-F265 WeakPolarHBondContact O-CD2 3.25Å; L261-F265 PolarHBondContact O-N 2.91Å; L261-A274 HydrophobicContact CD2-CB 4.34Å; L261-A274 HydrophobicContact CG-CB 4.26Å; L261-V276 HydrophobicContact CB-CG2 4.12Å; L261-V276 HydrophobicContact CD2-CG2 3.95Å; L261-V291 HydrophobicContact CD1-CG2 3.86Å; L261-V291 HydrophobicContact CD2-CG2 3.86Å; L261-V291 HydrophobicContact CG-CG2 3.7Å
262K92.8Very high88.5Confident65 Ų6564.8 Ų64.828%0.28333%0.328SS..Hα-helixtrans-58.6-58.8172.8-174.8177.8176-83.40110.9S258 D259 Q260 V264 F265 E266 I271 A274S258-K262 PolarHBondContact O-N 2.66Å; D259-K262 PolarHBondContact O-N 3.35Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.31Å; K262-V264 PolarHBondContact O-N 3.49Å; K262-V264 VanDerWaalsContact O-N 3.16Å; K262-F265 PolarHBondContact O-N 2.88Å; K262-E266 IonicContact NZ-OE1 3.41Å; K262-E266 PolarHBondContact NZ-OE1 2.8Å; K262-E266 IonicContact NZ-OE2 2.67Å; K262-E266 PolarHBondContact NZ-OE2 2.89Å; K262-E266 VanDerWaalsContact O-CB 3.28Å; K262-E266 WeakPolarHBondContact O-CB 3.46Å; K262-E266 PolarHBondContact O-N 2.96Å; K262-I271 HydrophobicContact CB-CD1 4.48Å; K262-I271 HydrophobicContact CG-CB 4.33Å; K262-I271 HydrophobicContact CG-CD1 3.92Å; K262-I271 HydrophobicContact CG-CG2 4.22Å; K262-I271 VanDerWaalsContact O-CD1 3.28Å; K262-I271 WeakPolarHBondContact O-CD1 2.94Å; K262-A274 HydrophobicContact CB-CB 3.98Å
263A91Very high89Confident63 Ų6363.2 Ų63.252%0.52132%0.321SS..Hα-helixtrans-59.7-29.2-176.800000113.4D259 Q260D259-A263 WeakPolarHBondContact O-CB 3.46Å; D259-A263 PolarHBondContact O-N 3.32Å; Q260-A263 PolarHBondContact O-N 2.89Å
264V89.6Confident89.4Confident18 Ų1863.5 Ų63.511%0.10933%0.326CS..Hα-helixtrans-67.4-47.1172.2167.30000111.6W253 Q260 K262 R267 L311 L313W253-V264 HydrophobicContact CH2-CG2 4.11Å; Q260-V264 WeakPolarHBondContact O-CG2 3.43Å; Q260-V264 PolarHBondContact O-N 3.46Å; K262-V264 PolarHBondContact O-N 3.49Å; K262-V264 VanDerWaalsContact O-N 3.16Å; V264-R267 WeakPolarHBondContact O-CG 3.37Å; V264-R267 PolarHBondContact O-NE 3.4Å; V264-L311 HydrophobicContact CG1-CD2 3.51Å; V264-L313 HydrophobicContact CG2-CD2 4.01Å
265F91.2Very high89.7Confident1 Ų165.6 Ų65.60%0.00433%0.331CS..Hα-helixtrans-84.7-20.1-176.1-82.7-106.8000114.3L244 V246 L261 K262 R267 F268 I271 V291 F293 L306 V320 A322L244-F265 HydrophobicContact CD1-CE1 4.3Å; V246-F265 HydrophobicContact CB-CZ 4.25Å; V246-F265 HydrophobicContact CG1-CE2 3.92Å; V246-F265 HydrophobicContact CG1-CZ 3.62Å; V246-F265 HydrophobicContact CG2-CE1 3.87Å; V246-F265 HydrophobicContact CG2-CE2 4.13Å; V246-F265 HydrophobicContact CG2-CZ 3.52Å; L261-F265 HydrophobicContact CD1-CD2 3.78Å; L261-F265 HydrophobicContact CD1-CE2 3.69Å; L261-F265 WeakPolarHBondContact O-CD2 3.25Å; L261-F265 PolarHBondContact O-N 2.91Å; K262-F265 PolarHBondContact O-N 2.88Å; F265-R267 PolarHBondContact O-N 2.66Å; F265-R267 VanDerWaalsContact O-N 3.08Å; F265-F268 HydrophobicContact CD1-CD2 4.27Å; F265-F268 WeakPolarHBondContact O-CD2 3.43Å; F265-F268 PolarHBondContact O-N 3.25Å; F265-I271 HydrophobicContact CB-CD1 3.61Å; F265-V291 HydrophobicContact CB-CG1 3.86Å; F265-V291 HydrophobicContact CB-CG2 4.44Å; F265-V291 HydrophobicContact CD1-CB 4.32Å; F265-V291 HydrophobicContact CD1-CG1 4.13Å; F265-V291 HydrophobicContact CD1-CG2 4.26Å; F265-V291 HydrophobicContact CD2-CG2 4.11Å; F265-V291 HydrophobicContact CE2-CG2 4.47Å; F265-V291 HydrophobicContact CG-CB 4.43Å; F265-V291 HydrophobicContact CG-CG1 4.08Å; F265-V291 HydrophobicContact CG-CG2 4.02Å; F265-F293 HydrophobicContact CB-CZ 4.21Å; F265-F293 HydrophobicContact CD1-CE2 4.32Å; F265-F293 HydrophobicContact CD1-CZ 4.17Å; F265-L306 HydrophobicContact CE1-CD1 3.57Å; F265-L306 HydrophobicContact CZ-CD1 3.75Å; F265-V320 HydrophobicContact CE2-CG1 4.46Å; F265-V320 HydrophobicContact CZ-CG1 4.31Å; F265-A322 HydrophobicContact CE1-CB 4.33Å
266E92.3Very high90.1Very high83 Ų8362.3 Ų62.339%0.38831%0.311SS..G310 helixtrans-62.8-17.8-177.5-170.5153.6-140.400112.8K262 F268 G269 I271K262-E266 IonicContact NZ-OE1 3.41Å; K262-E266 PolarHBondContact NZ-OE1 2.8Å; K262-E266 IonicContact NZ-OE2 2.67Å; K262-E266 PolarHBondContact NZ-OE2 2.89Å; K262-E266 VanDerWaalsContact O-CB 3.28Å; K262-E266 WeakPolarHBondContact O-CB 3.46Å; K262-E266 PolarHBondContact O-N 2.96Å; E266-F268 PolarHBondContact O-N 3.11Å; E266-G269 PolarHBondContact O-N 3.5Å; E266-I271 HydrophobicContact CB-CD1 4.08Å
267R90.2Very high90.4Very high161 Ų16157.9 Ų57.961%0.60829%0.294SS*.G310 helixtrans-63.8-18.9170.179.7-174.968.4-161.3-6.7114.5V264 F265V264-R267 WeakPolarHBondContact O-CG 3.37Å; V264-R267 PolarHBondContact O-NE 3.4Å; F265-R267 PolarHBondContact O-N 2.66Å; F265-R267 VanDerWaalsContact O-N 3.08Å
268F90.7Very high90.3Very high40 Ų4059.1 Ų59.118%0.17530%0.3CS..G310 helixtrans-100.1-12.2-177-54.6-62.3000113.4F265 E266 F293 A302 S305 L306F265-F268 HydrophobicContact CD1-CD2 4.27Å; F265-F268 WeakPolarHBondContact O-CD2 3.43Å; F265-F268 PolarHBondContact O-N 3.25Å; E266-F268 PolarHBondContact O-N 3.11Å; F268-F293 HydrophobicContact CB-CE1 4.4Å; F268-F293 HydrophobicContact CB-CZ 4.37Å; F268-A302 HydrophobicContact CB-CB 3.61Å; F268-A302 HydrophobicContact CD2-CB 3.84Å; F268-A302 HydrophobicContact CG-CB 3.81Å; F268-S305 VanDerWaalsContact CE1-CB 3.4Å; F268-L306 HydrophobicContact CE2-CD2 4.33Å; F268-L306 HydrophobicContact CE2-CG 4.29Å; F268-L306 HydrophobicContact CZ-CD2 4.23Å; F268-L306 HydrophobicContact CZ-CG 4.28Å
269G91.2Very high90Very high18 Ų1862.3 Ų62.319%0.18631%0.313CS..SBendtrans151.9-177.8-178.500000113.1E266 I271 D298E266-G269 PolarHBondContact O-N 3.5Å; G269-I271 PolarHBondContact O-N 2.63Å; G269-D298 WeakPolarHBondContact CA-OD2 3.49Å
270H92.9Very high89.2Confident131 Ų13167.5 Ų67.561%0.60632%0.323SS*.  trans-79.5123-170.8-69.6-68.5000112.1F293 V294 D298H270-F293 CarbonylContact O-C 3.53Å; H270-F293 VanDerWaalsContact O-CA 3.32Å; H270-F293 WeakPolarHBondContact O-CA 3.4Å; H270-V294 HydrophobicContact CB-CB 4.3Å; H270-V294 HydrophobicContact CB-CG2 4.03Å; H270-V294 PolarHBondContact O-N 3.31Å; H270-D298 PolarHBondContact N-OD2 2.91Å
271I93.8Very high88.5Confident18 Ų1869.2 Ų69.29%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-91.6125180-65.2172.4000110.5K262 F265 E266 G269 A274 V291 R292 F293K262-I271 HydrophobicContact CB-CD1 4.48Å; K262-I271 HydrophobicContact CG-CB 4.33Å; K262-I271 HydrophobicContact CG-CD1 3.92Å; K262-I271 HydrophobicContact CG-CG2 4.22Å; K262-I271 VanDerWaalsContact O-CD1 3.28Å; K262-I271 WeakPolarHBondContact O-CD1 2.94Å; F265-I271 HydrophobicContact CB-CD1 3.61Å; E266-I271 HydrophobicContact CB-CD1 4.08Å; G269-I271 PolarHBondContact O-N 2.63Å; I271-A274 HydrophobicContact CG2-CB 4.15Å; I271-V291 HydrophobicContact CD1-CG1 3.79Å; I271-V291 HydrophobicContact CG1-CG1 3.94Å; I271-V291 HydrophobicContact CG2-CG1 4.27Å; I271-R292 CarbonylContact C-O 3.55Å; I271-F293 HydrophobicContact CG1-CD1 4.17Å; I271-F293 HydrophobicContact CG1-CE1 3.93Å; I271-F293 HydrophobicContact CG1-CZ 4.34Å
272Q92.3Very high87.7Confident111 Ų11173 Ų7352%0.51936%0.358SS..EExtended strand (participates in β ladder)trans-78.5-39.8170-178.117575.200111.9R292 V294Q272-R292 PolarHBondContact N-O 3.4Å; Q272-R292 VanDerWaalsContact OE1-CD 3.29Å; Q272-V294 HydrophobicContact CB-CG2 4.09Å
273S90.9Very high86.6Confident48 Ų4875.7 Ų75.734%0.33638%0.376SS..EExtended strand (participates in β ladder)trans-160.9134.7174.662.70000111.4R292S273-R292 PolarHBondContact N-O 2.9Å; S273-R292 VanDerWaalsContact N-O 3.17Å; S273-R292 PolarHBondContact O-N 3.09Å
274A92.7Very high85.7Confident20 Ų2078.9 Ų78.917%0.16538%0.378CS..EExtended strand (participates in β ladder)trans-120.9143.1166.100000110L261 K262 I271 F290 V291L261-A274 HydrophobicContact CD2-CB 4.34Å; L261-A274 HydrophobicContact CG-CB 4.26Å; K262-A274 HydrophobicContact CB-CB 3.98Å; I271-A274 HydrophobicContact CG2-CB 4.15Å; A274-F290 CarbonylContact C-O 3.56Å; A274-F290 VanDerWaalsContact CA-O 3.29Å; A274-F290 WeakPolarHBondContact CA-O 3.35Å; A274-V291 HydrophobicContact CB-CG2 4.1Å
275F90Very high85Confident89 Ų8978.9 Ų78.939%0.3938%0.378SS..EExtended strand (participates in β ladder)trans-150.5139171.561.2-87.3000112.9S258 G289 F290S258-F275 WeakPolarHBondContact OG-CA 3.36Å; F275-G289 CarbonylContact O-C 3.55Å; F275-G289 WeakPolarHBondContact O-CA 3.34Å; F275-F290 HydrophobicContact CD1-CB 4.27Å; F275-F290 HydrophobicContact CD2-CD2 4.33Å; F275-F290 HydrophobicContact CE1-CB 3.73Å; F275-F290 HydrophobicContact CE1-CG 4.42Å; F275-F290 HydrophobicContact CE2-CB 4.1Å; F275-F290 AromaticContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CD2 3.5Å; F275-F290 VanDerWaalsContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CE2 4.32Å; F275-F290 HydrophobicContact CE2-CG 4.14Å; F275-F290 HydrophobicContact CZ-CB 3.64Å; F275-F290 AromaticContact CZ-CD2 3.64Å; F275-F290 HydrophobicContact CZ-CD2 3.64Å; F275-F290 AromaticContact CZ-CG 3.84Å; F275-F290 HydrophobicContact CZ-CG 3.84Å; F275-F290 PolarHBondContact N-O 2.69Å; F275-F290 PolarHBondContact O-N 3.41Å
276V90.9Very high84.5Confident2 Ų281.1 Ų81.11%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-85.8130.9170.9-179.20000109.4L249 W253 T254 T255 S258 L261L249-V276 HydrophobicContact CD1-CG2 4.37Å; W253-V276 HydrophobicContact CB-CG1 4.34Å; W253-V276 HydrophobicContact CB-CG2 4.43Å; W253-V276 HydrophobicContact CE3-CG2 4.12Å; T254-V276 WeakPolarHBondContact O-CB 3.31Å; T255-V276 PolarHBondContact OG1-O 2.81Å; S258-V276 PolarHBondContact OG-N 2.83Å; S258-V276 VanDerWaalsContact OG-N 3.13Å; L261-V276 HydrophobicContact CB-CG2 4.12Å; L261-V276 HydrophobicContact CD2-CG2 3.95Å
277M86.1Confident84.2Confident89 Ų8977.4 Ų77.444%0.43838%0.376SS..EExtended strand (participates in β ladder)trans-80.4145178.2-169.867.7175.100110.4T286 V288M277-T286 VanDerWaalsContact C-OG1 3.25Å; M277-T286 WeakPolarHBondContact CB-OG1 3.48Å; M277-T286 PolarHBondContact O-OG1 3.47Å; M277-V288 HydrophobicContact CB-CG2 3.99Å; M277-V288 WeakPolarHBondContact CB-O 3.24Å; M277-V288 HydrophobicContact CG-CG2 4.46Å; M277-V288 PolarHBondContact N-O 2.87Å
278M83.2Confident84.3Confident60 Ų6070.8 Ų70.830%0.29635%0.353SS..EExtended strand (participates in β ladder)trans-134.4149.3174.3-59.6-166.5-49.200110.6T254 T255 R280T254-M278 HydrophobicContact CG2-SD 4.32Å; T255-M278 PolarHBondContact N-SD 2.92Å; T255-M278 WeakPolarHBondContact OG1-CE 3.37Å; T255-M278 WeakPolarHBondContact OG1-CG 3.39Å; M278-R280 PolarHBondContact O-N 3.35Å
279E79.9Confident84.3Confident82 Ų8268.9 Ų68.938%0.38335%0.345SS..  trans-79.2114.3176.4-175.3168-11000110L281 T282 N283 K284 T286E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 2.76Å; E279-T282 WeakPolarHBondContact CB-OG1 3.39Å; E279-T282 VanDerWaalsContact CD-OG1 3.29Å; E279-T282 HydrophobicContact CG-CG2 4.34Å; E279-T282 VanDerWaalsContact CG-OG1 3.24Å; E279-T282 WeakPolarHBondContact CG-OG1 3.13Å; E279-T282 WeakPolarHBondContact OE2-CB 3.29Å; E279-T282 VanDerWaalsContact OE2-CG2 3.28Å; E279-T282 WeakPolarHBondContact OE2-CG2 3.41Å; E279-T282 PolarHBondContact OE2-OG1 2.61Å; E279-N283 VanDerWaalsContact O-CA 3.26Å; E279-N283 WeakPolarHBondContact O-CA 3.48Å; E279-N283 PolarHBondContact O-N 3.42Å; E279-K284 HydrophobicContact CB-CB 4.34Å; E279-K284 WeakPolarHBondContact CB-O 3.15Å; E279-K284 PolarHBondContact N-O 2.61Å; E279-T286 HydrophobicContact CB-CG2 4.02Å
280R73.5Confident84.5Confident228 Ų22870.4 Ų70.486%0.8635%0.346SS*.THydrogen-bonded Turntrans-63.9-30.8-170.1177.9172.8-72136.10.4114.1M278M278-R280 PolarHBondContact O-N 3.35Å
281L73.7Confident84.5Confident126 Ų12664.1 Ų64.166%0.6632%0.317SS*.THydrogen-bonded Turntrans-80.3-38.2-174.7-59.4179.3000112.4E197 E279E197-L281 HydrophobicContact CB-CD1 4.3Å; E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 2.76Å
282T73.3Confident84.5Confident80 Ų8067.7 Ų67.749%0.49133%0.33SS..THydrogen-bonded Turntrans-103-13.4-172.959.70000113.1E279 K284E279-T282 WeakPolarHBondContact CB-OG1 3.39Å; E279-T282 VanDerWaalsContact CD-OG1 3.29Å; E279-T282 HydrophobicContact CG-CG2 4.34Å; E279-T282 VanDerWaalsContact CG-OG1 3.24Å; E279-T282 WeakPolarHBondContact CG-OG1 3.13Å; E279-T282 WeakPolarHBondContact OE2-CB 3.29Å; E279-T282 VanDerWaalsContact OE2-CG2 3.28Å; E279-T282 WeakPolarHBondContact OE2-CG2 3.41Å; E279-T282 PolarHBondContact OE2-OG1 2.61Å; T282-K284 PolarHBondContact O-N 2.82Å; T282-K284 WeakPolarHBondContact OG1-CB 3.36Å; T282-K284 PolarHBondContact OG1-N 2.92Å
283N69.2Low84.7Confident122 Ų12262.5 Ų62.565%0.65231%0.305SS*.  trans55.318.6-162.6-62.4-80.2000113.9E279E279-N283 VanDerWaalsContact O-CA 3.26Å; E279-N283 WeakPolarHBondContact O-CA 3.48Å; E279-N283 PolarHBondContact O-N 3.42Å
284K71.7Confident84.8Confident129 Ų12964.1 Ų64.156%0.56131%0.313SS*.  trans-74.7136.8179.6-167.6176.4-178.4-179.50110.2E279 T282 T286E279-K284 HydrophobicContact CB-CB 4.34Å; E279-K284 WeakPolarHBondContact CB-O 3.15Å; E279-K284 PolarHBondContact N-O 2.61Å; T282-K284 PolarHBondContact O-N 2.82Å; T282-K284 WeakPolarHBondContact OG1-CB 3.36Å; T282-K284 PolarHBondContact OG1-N 2.92Å; K284-T286 PolarHBondContact O-N 2.98Å
285T75.2Confident84.9Confident18 Ų1866.6 Ų66.611%0.1132%0.323CS..EExtended strand (participates in β ladder)trans-68.4118.7173.153.50000109.1R251 W253 T254 G287R251-T285 VanDerWaalsContact C-OG1 3.27Å; R251-T285 VanDerWaalsContact CA-OG1 3.25Å; R251-T285 WeakPolarHBondContact CA-OG1 3.39Å; R251-T285 WeakPolarHBondContact O-CB 3.34Å; R251-T285 WeakPolarHBondContact O-CG2 3.3Å; R251-T285 PolarHBondContact O-OG1 3.37Å; W253-T285 WeakPolarHBondContact O-CG2 3.39Å; T254-T285 HydrophobicContact CG2-CG2 4.41Å; T285-G287 PolarHBondContact O-N 2.61Å
286T80.9Confident85Confident48 Ų4866.7 Ų66.729%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-72.5-12.8-178420000112.7M277 E279 K284 V288M277-T286 VanDerWaalsContact C-OG1 3.25Å; M277-T286 WeakPolarHBondContact CB-OG1 3.48Å; M277-T286 PolarHBondContact O-OG1 3.47Å; E279-T286 HydrophobicContact CB-CG2 4.02Å; K284-T286 PolarHBondContact O-N 2.98Å; T286-V288 VanDerWaalsContact C-N 3.25Å; T286-V288 PolarHBondContact O-N 3.5Å
287G86.6Confident85.2Confident5 Ų571.9 Ų71.95%0.05235%0.349CS..EExtended strand (participates in β ladder)trans70.123.3-175.800000112.9N248 L249 T285N248-G287 WeakPolarHBondContact CA-O 3.35Å; N248-G287 PolarHBondContact N-O 3.35Å; L249-G287 PolarHBondContact N-O 2.89Å; L249-G287 WeakPolarHBondContact O-CA 3.39Å; T285-G287 PolarHBondContact O-N 2.61Å
288V90.9Very high85.6Confident23 Ų2368.8 Ų68.814%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-140.1155.3-179.4-47.80000110.1Y245 V246 T247 M277 T286Y245-V288 HydrophobicContact CE2-CB 3.81Å; Y245-V288 HydrophobicContact CE2-CG1 4.44Å; Y245-V288 HydrophobicContact CE2-CG2 3.84Å; V246-V288 CarbonylContact O-C 3.55Å; V246-V288 WeakPolarHBondContact O-CA 3.49Å; V246-V288 WeakPolarHBondContact O-CB 3.49Å; T247-V288 HydrophobicContact CG2-CB 4.42Å; T247-V288 HydrophobicContact CG2-CG1 3.89Å; M277-V288 HydrophobicContact CB-CG2 3.99Å; M277-V288 WeakPolarHBondContact CB-O 3.24Å; M277-V288 HydrophobicContact CG-CG2 4.46Å; M277-V288 PolarHBondContact N-O 2.87Å; T286-V288 VanDerWaalsContact C-N 3.25Å; T286-V288 PolarHBondContact O-N 3.5Å
289G92.2Very high86.1Confident0 Ų065.9 Ų65.90%032%0.32CS..EExtended strand (participates in β ladder)trans-155.6-179.4179.900000111.7V246 F275V246-G289 PolarHBondContact N-O 2.82Å; V246-G289 PolarHBondContact O-N 3.46Å; F275-G289 CarbonylContact O-C 3.55Å; F275-G289 WeakPolarHBondContact O-CA 3.34Å
290F93.9Very high86.7Confident49 Ų4964.3 Ų64.322%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-129.1138.7177-66.6-92.6000110.1L244 Y245 A274 F275 A325L244-F290 CarbonylContact O-C 3.58Å; L244-F290 VanDerWaalsContact O-CA 3.3Å; L244-F290 WeakPolarHBondContact O-CA 3.47Å; Y245-F290 HydrophobicContact CD2-CD1 4.1Å; Y245-F290 AromaticContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE1 3.53Å; Y245-F290 HydrophobicContact CD2-CE2 4.04Å; Y245-F290 AromaticContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CD2-CZ 3.49Å; Y245-F290 VanDerWaalsContact CD2-CZ 3.49Å; Y245-F290 HydrophobicContact CE2-CE1 4.4Å; Y245-F290 HydrophobicContact CE2-CE2 4.27Å; Y245-F290 AromaticContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CE2-CZ 3.91Å; Y245-F290 HydrophobicContact CG-CE1 4.14Å; Y245-F290 HydrophobicContact CG-CZ 4.45Å; A274-F290 CarbonylContact C-O 3.56Å; A274-F290 VanDerWaalsContact CA-O 3.29Å; A274-F290 WeakPolarHBondContact CA-O 3.35Å; F275-F290 HydrophobicContact CD1-CB 4.27Å; F275-F290 HydrophobicContact CD2-CD2 4.33Å; F275-F290 HydrophobicContact CE1-CB 3.73Å; F275-F290 HydrophobicContact CE1-CG 4.42Å; F275-F290 HydrophobicContact CE2-CB 4.1Å; F275-F290 AromaticContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CD2 3.5Å; F275-F290 VanDerWaalsContact CE2-CD2 3.5Å; F275-F290 HydrophobicContact CE2-CE2 4.32Å; F275-F290 HydrophobicContact CE2-CG 4.14Å; F275-F290 HydrophobicContact CZ-CB 3.64Å; F275-F290 AromaticContact CZ-CD2 3.64Å; F275-F290 HydrophobicContact CZ-CD2 3.64Å; F275-F290 AromaticContact CZ-CG 3.84Å; F275-F290 HydrophobicContact CZ-CG 3.84Å; F275-F290 PolarHBondContact N-O 2.69Å; F275-F290 PolarHBondContact O-N 3.41Å; F290-A325 HydrophobicContact CD1-CB 4.03Å; F290-A325 HydrophobicContact CE1-CB 3.97Å
291V94.1Very high87.7Confident0 Ų056.3 Ų56.30%029%0.291CS..EExtended strand (participates in β ladder)trans-130.8108.9177.4-178.90000108.8L244 V246 L261 F265 I271 A274 F293L244-V291 PolarHBondContact N-O 3.38Å; L244-V291 PolarHBondContact O-N 2.66Å; V246-V291 HydrophobicContact CG2-CB 4.34Å; V246-V291 HydrophobicContact CG2-CG2 3.87Å; L261-V291 HydrophobicContact CD1-CG2 3.86Å; L261-V291 HydrophobicContact CD2-CG2 3.86Å; L261-V291 HydrophobicContact CG-CG2 3.7Å; F265-V291 HydrophobicContact CB-CG1 3.86Å; F265-V291 HydrophobicContact CB-CG2 4.44Å; F265-V291 HydrophobicContact CD1-CB 4.32Å; F265-V291 HydrophobicContact CD1-CG1 4.13Å; F265-V291 HydrophobicContact CD1-CG2 4.26Å; F265-V291 HydrophobicContact CD2-CG2 4.11Å; F265-V291 HydrophobicContact CE2-CG2 4.47Å; F265-V291 HydrophobicContact CG-CB 4.43Å; F265-V291 HydrophobicContact CG-CG1 4.08Å; F265-V291 HydrophobicContact CG-CG2 4.02Å; I271-V291 HydrophobicContact CD1-CG1 3.79Å; I271-V291 HydrophobicContact CG1-CG1 3.94Å; I271-V291 HydrophobicContact CG2-CG1 4.27Å; A274-V291 HydrophobicContact CB-CG2 4.1Å; V291-F293 HydrophobicContact CG1-CD2 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.76Å; V291-F293 HydrophobicContact CG1-CZ 4.14Å
292R94.2Very high88.6Confident93 Ų9350.3 Ų50.335%0.35126%0.259SS..EExtended strand (participates in β ladder)trans-98.2117.6176.9-166.8178-170.2-159.39.7110.4T242 N243 I271 Q272 S273T242-R292 CarbonylContact O-C 3.5Å; T242-R292 VanDerWaalsContact O-CA 3.3Å; T242-R292 WeakPolarHBondContact O-CA 3.38Å; N243-R292 HydrophobicContact CB-CB 4.5Å; N243-R292 HydrophobicContact CB-CG 4.27Å; I271-R292 CarbonylContact C-O 3.55Å; Q272-R292 PolarHBondContact N-O 3.4Å; Q272-R292 VanDerWaalsContact OE1-CD 3.29Å; S273-R292 PolarHBondContact N-O 2.9Å; S273-R292 VanDerWaalsContact N-O 3.17Å; S273-R292 PolarHBondContact O-N 3.09Å
293F95.1Very high89.5Confident1 Ų147.4 Ų47.40%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-80.9159.1171.7-71.2-90.9000111.5T242 L244 F265 F268 H270 I271 V291 N295 D298 A299 A302T242-F293 PolarHBondContact O-N 3.25Å; L244-F293 HydrophobicContact CD1-CD2 4.44Å; L244-F293 HydrophobicContact CD1-CE2 3.83Å; L244-F293 HydrophobicContact CG-CD2 4.47Å; L244-F293 HydrophobicContact CG-CE2 4.28Å; F265-F293 HydrophobicContact CB-CZ 4.21Å; F265-F293 HydrophobicContact CD1-CE2 4.32Å; F265-F293 HydrophobicContact CD1-CZ 4.17Å; F268-F293 HydrophobicContact CB-CE1 4.4Å; F268-F293 HydrophobicContact CB-CZ 4.37Å; H270-F293 CarbonylContact O-C 3.53Å; H270-F293 VanDerWaalsContact O-CA 3.32Å; H270-F293 WeakPolarHBondContact O-CA 3.4Å; I271-F293 HydrophobicContact CG1-CD1 4.17Å; I271-F293 HydrophobicContact CG1-CE1 3.93Å; I271-F293 HydrophobicContact CG1-CZ 4.34Å; V291-F293 HydrophobicContact CG1-CD2 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.76Å; V291-F293 HydrophobicContact CG1-CZ 4.14Å; F293-N295 WeakPolarHBondContact CB-O 3.16Å; F293-D298 HydrophobicContact CB-CB 4.1Å; F293-D298 HydrophobicContact CD1-CB 3.55Å; F293-D298 HydrophobicContact CE1-CB 4.24Å; F293-D298 HydrophobicContact CG-CB 3.99Å; F293-A299 HydrophobicContact CB-CB 4.22Å; F293-A299 HydrophobicContact CD2-CB 3.75Å; F293-A299 HydrophobicContact CG-CB 4.2Å; F293-A302 HydrophobicContact CE2-CB 4.01Å; F293-A302 HydrophobicContact CZ-CB 3.8Å
294V94.1Very high90.6Very high83 Ų8346.9 Ų46.950%0.50323%0.234SC..SBendtrans-70.5-40.2170.3177.60000110.2H270 Q272H270-V294 HydrophobicContact CB-CB 4.3Å; H270-V294 HydrophobicContact CB-CG2 4.03Å; H270-V294 PolarHBondContact O-N 3.31Å; Q272-V294 HydrophobicContact CB-CG2 4.09Å
295N93.3Very high91.4Very high71 Ų7142.7 Ų42.738%0.3822%0.221SC..SBendtrans-108150.3-176.1-52.6-56.5000112.3F293 D298F293-N295 WeakPolarHBondContact CB-O 3.16Å; N295-D298 HydrophobicContact CB-CB 4.21Å; N295-D298 PolarHBondContact ND2-OD1 2.83Å; N295-D298 PolarHBondContact ND2-OD2 3.23Å
296E93.8Very high92.1Very high91 Ų9142.4 Ų42.443%0.42522%0.219SC..Hα-helixtrans-65.5-42.5170.6176.9173.6149.900111.2K241 T242 D298 A299 V300K241-E296 HydrophobicContact CB-CG 3.93Å; K241-E296 HydrophobicContact CD-CG 4.02Å; K241-E296 WeakPolarHBondContact CD-OE1 3.21Å; K241-E296 WeakPolarHBondContact CD-OE2 3.41Å; K241-E296 WeakPolarHBondContact CE-OE1 3.38Å; K241-E296 IonicContact NZ-OE1 2.66Å; K241-E296 PolarHBondContact NZ-OE1 3.44Å; K241-E296 IonicContact NZ-OE2 3.04Å; K241-E296 PolarHBondContact NZ-OE2 3.19Å; T242-E296 HydrophobicContact CG2-CB 4.36Å; E296-D298 PolarHBondContact O-N 2.89Å; E296-A299 PolarHBondContact O-N 3.38Å; E296-V300 WeakPolarHBondContact O-CG2 3.27Å; E296-V300 PolarHBondContact O-N 3Å; E296-V300 VanDerWaalsContact O-N 3.08Å
297Q94Very high92.3Very high111 Ų11147.3 Ų47.352%0.51924%0.236SC..Hα-helixtrans-63.8-40.4-177.8-168.162.351.500112.3A299 V300 N301Q297-A299 VanDerWaalsContact C-N 3.29Å; Q297-A299 PolarHBondContact O-N 3.24Å; Q297-V300 PolarHBondContact O-N 3.3Å; Q297-N301 PolarHBondContact NE2-OD1 3.02Å; Q297-N301 WeakPolarHBondContact O-CB 3.47Å; Q297-N301 PolarHBondContact O-N 3.03Å; Q297-N301 PolarHBondContact O-ND2 3.35Å; Q297-N301 PolarHBondContact O-OD1 2.9Å
298D94.5Very high92.3Very high24 Ų2452.7 Ų52.713%0.12826%0.263CS..Hα-helixtrans-59.7-40.6177.4-61.49.2000111.4G269 H270 F293 N295 E296 N301 A302G269-D298 WeakPolarHBondContact CA-OD2 3.49Å; H270-D298 PolarHBondContact N-OD2 2.91Å; F293-D298 HydrophobicContact CB-CB 4.1Å; F293-D298 HydrophobicContact CD1-CB 3.55Å; F293-D298 HydrophobicContact CE1-CB 4.24Å; F293-D298 HydrophobicContact CG-CB 3.99Å; N295-D298 HydrophobicContact CB-CB 4.21Å; N295-D298 PolarHBondContact ND2-OD1 2.83Å; N295-D298 PolarHBondContact ND2-OD2 3.23Å; E296-D298 PolarHBondContact O-N 2.89Å; D298-N301 PolarHBondContact O-N 3.11Å; D298-A302 WeakPolarHBondContact O-CB 3.18Å; D298-A302 PolarHBondContact O-N 3.37Å
299A93.7Very high91.9Very high0 Ų058.7 Ų58.70%029%0.289CS..Hα-helixtrans-69.7-36.217700000112.7K241 L244 F293 E296 Q297 L303 F324K241-A299 WeakPolarHBondContact O-CB 3.43Å; L244-A299 HydrophobicContact CD2-CB 4.18Å; L244-A299 HydrophobicContact CG-CB 4.32Å; F293-A299 HydrophobicContact CB-CB 4.22Å; F293-A299 HydrophobicContact CD2-CB 3.75Å; F293-A299 HydrophobicContact CG-CB 4.2Å; E296-A299 PolarHBondContact O-N 3.38Å; Q297-A299 VanDerWaalsContact C-N 3.29Å; Q297-A299 PolarHBondContact O-N 3.24Å; A299-L303 WeakPolarHBondContact O-CB 3.43Å; A299-L303 PolarHBondContact O-N 2.81Å; A299-L303 VanDerWaalsContact O-N 3.09Å; A299-F324 HydrophobicContact CB-CE1 4.06Å
300V93.5Very high91.4Very high48 Ų4862.5 Ų62.529%0.29131%0.314SS..Hα-helixtrans-64.1-49171174.80000110.5E296 Q297 A302 L303 E304 F324E296-V300 WeakPolarHBondContact O-CG2 3.27Å; E296-V300 PolarHBondContact O-N 3Å; E296-V300 VanDerWaalsContact O-N 3.08Å; Q297-V300 PolarHBondContact O-N 3.3Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 2.69Å; V300-L303 PolarHBondContact O-N 2.65Å; V300-L303 VanDerWaalsContact O-N 3.15Å; V300-E304 PolarHBondContact O-N 3.07Å; V300-F324 HydrophobicContact CG2-CZ 3.88Å
301N92.9Very high90.7Very high61 Ų6161.6 Ų61.633%0.32631%0.311SS..Hα-helixtrans-59.9-42.1179.6-66.3-7.1000111.5Q297 D298 S305Q297-N301 PolarHBondContact NE2-OD1 3.02Å; Q297-N301 WeakPolarHBondContact O-CB 3.47Å; Q297-N301 PolarHBondContact O-N 3.03Å; Q297-N301 PolarHBondContact O-ND2 3.35Å; Q297-N301 PolarHBondContact O-OD1 2.9Å; D298-N301 PolarHBondContact O-N 3.11Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.03Å; N301-S305 PolarHBondContact O-OG 3.3Å
302A93.1Very high90.1Very high0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-62.9-44.6174.700000111.9L244 F268 F293 D298 V300 S305 L306L244-A302 HydrophobicContact CD1-CB 3.97Å; F268-A302 HydrophobicContact CB-CB 3.61Å; F268-A302 HydrophobicContact CD2-CB 3.84Å; F268-A302 HydrophobicContact CG-CB 3.81Å; F293-A302 HydrophobicContact CE2-CB 4.01Å; F293-A302 HydrophobicContact CZ-CB 3.8Å; D298-A302 WeakPolarHBondContact O-CB 3.18Å; D298-A302 PolarHBondContact O-N 3.37Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 2.69Å; A302-S305 PolarHBondContact O-N 2.76Å; A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 WeakPolarHBondContact O-CG 3.2Å; A302-L306 PolarHBondContact O-N 2.91Å
303L92.3Very high89.5Confident18 Ų1862.3 Ų62.39%0.09433%0.325CS..Hα-helixtrans-65.8-36179177.762000113A299 V300 K307 A322 F324A299-L303 WeakPolarHBondContact O-CB 3.43Å; A299-L303 PolarHBondContact O-N 2.81Å; A299-L303 VanDerWaalsContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 2.65Å; V300-L303 VanDerWaalsContact O-N 3.15Å; L303-K307 WeakPolarHBondContact O-CD 3.45Å; L303-K307 VanDerWaalsContact O-CG 3.29Å; L303-K307 WeakPolarHBondContact O-CG 3.35Å; L303-A322 WeakPolarHBondContact CD1-O 3.4Å; L303-F324 HydrophobicContact CD2-CD2 3.79Å; L303-F324 HydrophobicContact CD2-CE2 3.34Å; L303-F324 HydrophobicContact CD2-CZ 3.75Å
304E91.5Very high88.4Confident112 Ų11268.4 Ų68.452%0.52337%0.365SS..Hα-helixtrans-73.7-45.3174.1-175.8164.6-151.600111.4V300 L306 K307 L308V300-E304 PolarHBondContact O-N 3.07Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.82Å; E304-K307 PolarHBondContact O-N 3.36Å; E304-K307 VanDerWaalsContact O-N 3.07Å; E304-L308 HydrophobicContact CG-CD1 3.97Å; E304-L308 HydrophobicContact CG-CG 4.49Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 3.31Å
305S90.4Very high87.3Confident41 Ų4169.1 Ų69.129%0.28737%0.366SS..Hα-helixtrans-58.4-41.6178.4-620000112.6F268 N301 A302 K307 L308 H309F268-S305 VanDerWaalsContact CE1-CB 3.4Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.03Å; N301-S305 PolarHBondContact O-OG 3.3Å; A302-S305 PolarHBondContact O-N 2.76Å; S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 3.14Å; S305-L308 PolarHBondContact O-N 2.68Å; S305-H309 WeakPolarHBondContact O-CA 3.19Å; S305-H309 WeakPolarHBondContact O-CB 3.4Å; S305-H309 PolarHBondContact O-N 2.91Å
306L88.8Confident86.2Confident12 Ų1266.6 Ų66.66%0.06335%0.353CS..Hα-helixtrans-69.7-23.9177.9-73.8168.5000113.9F265 F268 A302 E304 L311 A322F265-L306 HydrophobicContact CE1-CD1 3.57Å; F265-L306 HydrophobicContact CZ-CD1 3.75Å; F268-L306 HydrophobicContact CE2-CD2 4.33Å; F268-L306 HydrophobicContact CE2-CG 4.29Å; F268-L306 HydrophobicContact CZ-CD2 4.23Å; F268-L306 HydrophobicContact CZ-CG 4.28Å; A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 WeakPolarHBondContact O-CG 3.2Å; A302-L306 PolarHBondContact O-N 2.91Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.82Å; L306-L311 HydrophobicContact CD2-CB 3.64Å; L306-A322 HydrophobicContact CD1-CB 3.62Å
307K86.2Confident85.3Confident151 Ų15168.1 Ų68.166%0.65737%0.374SS*.Hα-helixtrans-79.6-37.2173.7-69.6166.9-174.1172.90112.1L303 E304 S305L303-K307 WeakPolarHBondContact O-CD 3.45Å; L303-K307 VanDerWaalsContact O-CG 3.29Å; L303-K307 WeakPolarHBondContact O-CG 3.35Å; E304-K307 PolarHBondContact O-N 3.36Å; E304-K307 VanDerWaalsContact O-N 3.07Å; S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 3.14Å
308L84.7Confident84.8Confident118 Ų11866 Ų6662%0.61837%0.369SS*.Hα-helixtrans-78-38.2178.7-65.3174.2000112E304 S305E304-L308 HydrophobicContact CG-CD1 3.97Å; E304-L308 HydrophobicContact CG-CG 4.49Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 3.31Å; S305-L308 PolarHBondContact O-N 2.68Å
309H83.1Confident84.5Confident148 Ų14867.2 Ų67.269%0.68538%0.378SS*.SBendtrans-125.386.7-179.1-62.492.9000109.2S305 L311S305-H309 WeakPolarHBondContact O-CA 3.19Å; S305-H309 WeakPolarHBondContact O-CB 3.4Å; S305-H309 PolarHBondContact O-N 2.91Å; H309-L311 PolarHBondContact O-N 3.13Å
310P81.1Confident84.3Confident80 Ų8067.4 Ų67.452%0.51938%0.379SS..  trans-62.1110-177.523.7-33.5000110.9T312 P319P310-T312 PolarHBondContact O-N 3.48Å; P310-P319 HydrophobicContact CB-CB 3.64Å; P310-P319 HydrophobicContact CB-CG 4.08Å
311L80.6Confident84.2Confident30 Ų3069.5 Ų69.516%0.15739%0.386CS..  trans-80.398.3-176.6-175.5114.1000110.4V264 L306 H309 L313 V320V264-L311 HydrophobicContact CG1-CD2 3.51Å; L306-L311 HydrophobicContact CD2-CB 3.64Å; H309-L311 PolarHBondContact O-N 3.13Å; L311-L313 HydrophobicContact CD2-CD2 4Å; L311-L313 HydrophobicContact CD2-CG 4.07Å; L311-V320 HydrophobicContact CD2-CB 4.35Å; L311-V320 HydrophobicContact CD2-CG2 4.17Å; L311-V320 WeakPolarHBondContact O-CB 3.42Å; L311-V320 WeakPolarHBondContact O-CG2 2.96Å; L311-V320 PolarHBondContact O-N 2.79Å
312T82Confident84.1Confident91 Ų9167 Ų6756%0.55837%0.374SS*.  trans-77.6126.8164.544.10000110.1P310 P319P310-T312 PolarHBondContact O-N 3.48Å; T312-P319 HydrophobicContact CG2-CB 4.09Å
313L81.7Confident84.1Confident18 Ų1872.3 Ų72.39%0.09440%0.397CS..  trans-84.9150.8166.7-70.6170.1000108.8L249 P250 W253 V264 L311 D315 C316 V320L249-L313 HydrophobicContact CD2-CD1 4.17Å; P250-L313 HydrophobicContact CG-CB 4.07Å; P250-L313 HydrophobicContact CG-CD1 3.95Å; W253-L313 HydrophobicContact CH2-CD1 3.63Å; W253-L313 HydrophobicContact CH2-CD2 4.34Å; W253-L313 HydrophobicContact CZ2-CD1 4Å; W253-L313 HydrophobicContact CZ2-CD2 4.42Å; W253-L313 HydrophobicContact CZ3-CD1 4Å; V264-L313 HydrophobicContact CG2-CD2 4.01Å; L311-L313 HydrophobicContact CD2-CD2 4Å; L311-L313 HydrophobicContact CD2-CG 4.07Å; L313-D315 PolarHBondContact O-N 2.96Å; L313-D315 VanDerWaalsContact O-N 3.08Å; L313-C316 HydrophobicContact CB-CB 4.4Å; L313-C316 PolarHBondContact O-N 3.36Å; L313-V320 HydrophobicContact CD1-CG2 3.6Å; L313-V320 HydrophobicContact CG-CG2 3.86Å
314P71.5Confident84.1Confident129 Ų12974.1 Ų74.184%0.83840%0.404SS*.THydrogen-bonded Turntrans-60.1-26.1-171.122.7-34.2000114.2
315D71.2Confident84Confident97 Ų9769 Ų6952%0.51938%0.38SS..THydrogen-bonded Turntrans-91.10.9178.6-66.51.7000113.4P250 T252 L313P250-D315 HydrophobicContact CB-CB 3.76Å; P250-D315 HydrophobicContact CG-CB 4.01Å; T252-D315 WeakPolarHBondContact CB-OD2 3.5Å; T252-D315 WeakPolarHBondContact CG2-OD2 3.4Å; T252-D315 PolarHBondContact OG1-OD2 2.84Å; L313-D315 PolarHBondContact O-N 2.96Å; L313-D315 VanDerWaalsContact O-N 3.08Å
316C68.9Low83.8Confident18 Ų1870.7 Ų70.712%0.12239%0.387CS..  trans-114.3123.2-175-72.70000112.5N248 P250 L313 V318N248-C316 PolarHBondContact O-SG 2.84Å; N248-C316 VanDerWaalsContact O-SG 3.35Å; P250-C316 VanDerWaalsContact CD-SG 3.6Å; P250-C316 VanDerWaalsContact N-SG 3.4Å; L313-C316 HydrophobicContact CB-CB 4.4Å; L313-C316 PolarHBondContact O-N 3.36Å; C316-V318 VanDerWaalsContact C-N 3.26Å; C316-V318 WeakPolarHBondContact CB-O 3.39Å; C316-V318 PolarHBondContact O-N 2.59Å
317S74.7Confident83.4Confident123 Ų12374.2 Ų74.286%0.8640%0.401SS*.SBendtrans-76.4-9.3173.454.50000114.7
318V85Confident82.4Confident68 Ų6872.1 Ų72.141%0.41239%0.394SS..SBendtrans-126.7148.5-179.3174.10000106.8N248 C316N248-V318 VanDerWaalsContact ND2-CB 3.29Å; N248-V318 WeakPolarHBondContact ND2-CB 3.49Å; N248-V318 WeakPolarHBondContact ND2-CG1 3.43Å; N248-V318 PolarHBondContact ND2-O 2.98Å; C316-V318 VanDerWaalsContact C-N 3.26Å; C316-V318 WeakPolarHBondContact CB-O 3.39Å; C316-V318 PolarHBondContact O-N 2.59Å
319P88.2Confident81.1Confident49 Ų4970.4 Ų70.432%0.31839%0.385SS..PPolyproline II helixtrans-68.315517728-36.5000113.3N248 P310 T312 E321N248-P319 PolarHBondContact ND2-O 2.74Å; P310-P319 HydrophobicContact CB-CB 3.64Å; P310-P319 HydrophobicContact CB-CG 4.08Å; T312-P319 HydrophobicContact CG2-CB 4.09Å; P319-E321 PolarHBondContact O-N 2.9Å
320V89.7Confident79.7Confident4 Ų467.9 Ų67.92%0.02438%0.382CS..PPolyproline II helixtrans-69.8126174.1176.30000109.8V246 L249 F265 L311 L313V246-V320 HydrophobicContact CG1-CG1 3.42Å; V246-V320 VanDerWaalsContact CG1-CG1 3.42Å; L249-V320 HydrophobicContact CD2-CG1 4.02Å; L249-V320 HydrophobicContact CD2-CG2 4.19Å; F265-V320 HydrophobicContact CE2-CG1 4.46Å; F265-V320 HydrophobicContact CZ-CG1 4.31Å; L311-V320 HydrophobicContact CD2-CB 4.35Å; L311-V320 HydrophobicContact CD2-CG2 4.17Å; L311-V320 WeakPolarHBondContact O-CB 3.42Å; L311-V320 WeakPolarHBondContact O-CG2 2.96Å; L311-V320 PolarHBondContact O-N 2.79Å; L313-V320 HydrophobicContact CD1-CG2 3.6Å; L313-V320 HydrophobicContact CG-CG2 3.86Å
321E90.5Very high78.3Confident92 Ų9267.8 Ų67.843%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-101.1145.9172.9-82.3-171.9-145.500110.8V246 T247 P319 K323V246-E321 CarbonylContact C-O 3.52Å; V246-E321 WeakPolarHBondContact CA-O 3.43Å; T247-E321 PolarHBondContact N-O 2.81Å; T247-E321 PolarHBondContact O-N 2.83Å; T247-E321 VanDerWaalsContact O-N 3.08Å; T247-E321 WeakPolarHBondContact OG1-CB 3.47Å; P319-E321 PolarHBondContact O-N 2.9Å; E321-K323 WeakPolarHBondContact OE2-CE 3.26Å; E321-K323 IonicContact OE2-NZ 2.73Å; E321-K323 PolarHBondContact OE2-NZ 3.08Å
322A91.7Very high77.1Confident9 Ų969.7 Ų69.77%0.07439%0.39CS..EExtended strand (participates in β ladder)trans-129.5146.8169.600000110.8L244 Y245 V246 F265 L303 L306L244-A322 HydrophobicContact CB-CB 4.5Å; L244-A322 HydrophobicContact CD1-CB 4.17Å; Y245-A322 CarbonylContact O-C 3.55Å; Y245-A322 WeakPolarHBondContact O-CA 3.35Å; V246-A322 HydrophobicContact CG2-CB 4.36Å; F265-A322 HydrophobicContact CE1-CB 4.33Å; L303-A322 WeakPolarHBondContact CD1-O 3.4Å; L306-A322 HydrophobicContact CD1-CB 3.62Å
323K91.3Very high75.4Confident110 Ų11072.9 Ų72.948%0.47839%0.392SS..EExtended strand (participates in β ladder)trans-144.1150.1178.4-65.5169-173.4150.60108L244 Y245 E321 A325L244-K323 CarbonylContact C-O 3.58Å; L244-K323 WeakPolarHBondContact CA-O 3.45Å; Y245-K323 PolarHBondContact N-O 3.45Å; Y245-K323 PolarHBondContact O-N 3.08Å; E321-K323 WeakPolarHBondContact OE2-CE 3.26Å; E321-K323 IonicContact OE2-NZ 2.73Å; E321-K323 PolarHBondContact OE2-NZ 3.08Å; K323-A325 PolarHBondContact O-N 2.87Å
324F92.8Very high73.8Confident57 Ų5781.9 Ų81.925%0.2543%0.425CS..EExtended strand (participates in β ladder)trans-62129.4173.2-67.7-65.5000110.3K239 K241 L244 A299 V300 L303K239-F324 HydrophobicContact CB-CB 4.11Å; K239-F324 HydrophobicContact CD-CB 4.36Å; K241-F324 WeakPolarHBondContact O-CE1 3.36Å; L244-F324 HydrophobicContact CD2-CD1 3.52Å; L244-F324 HydrophobicContact CD2-CE1 3.68Å; L244-F324 HydrophobicContact CD2-CG 4.32Å; A299-F324 HydrophobicContact CB-CE1 4.06Å; V300-F324 HydrophobicContact CG2-CZ 3.88Å; L303-F324 HydrophobicContact CD2-CD2 3.79Å; L303-F324 HydrophobicContact CD2-CE2 3.34Å; L303-F324 HydrophobicContact CD2-CZ 3.75Å
325A89.3Confident72.7Confident3 Ų385.9 Ų85.93%0.02542%0.423CS..EExtended strand (participates in β ladder)trans-74.5152178.200000111.2K239 D240 N243 F290 K323K239-A325 CarbonylContact C-O 3.57Å; K239-A325 WeakPolarHBondContact CA-O 3.31Å; D240-A325 PolarHBondContact N-O 3.48Å; N243-A325 HydrophobicContact CB-CB 4.18Å; N243-A325 WeakPolarHBondContact O-CB 3.4Å; N243-A325 PolarHBondContact O-N 3.18Å; F290-A325 HydrophobicContact CD1-CB 4.03Å; F290-A325 HydrophobicContact CE1-CB 3.97Å; K323-A325 PolarHBondContact O-N 2.87Å
326D86Confident71.6Confident78 Ų7888.7 Ų88.742%0.41743%0.426SS..EExtended strand (participates in β ladder)trans-67.7143.6170.1-69.5-7.4000110.6N237 H328N237-D326 HydrophobicContact CB-CB 3.86Å; N237-D326 VanDerWaalsContact CB-CG 3.45Å; N237-D326 WeakPolarHBondContact CB-OD2 3.47Å; N237-D326 PolarHBondContact ND2-OD2 2.78Å; D326-H328 PolarHBondContact O-N 2.91Å
327K81.3Confident69.8Low86 Ų8696 Ų9637%0.37445%0.453SS..PPolyproline II helixtrans-57128.1170.5-79.8-177.8-170.6-670109.5E238 D240 N329E238-K327 HydrophobicContact CB-CD 3.69Å; E238-K327 HydrophobicContact CB-CG 4.28Å; E238-K327 VanDerWaalsContact O-CB 3.25Å; E238-K327 WeakPolarHBondContact O-CB 3.36Å; E238-K327 VanDerWaalsContact O-CG 3.3Å; E238-K327 WeakPolarHBondContact O-CG 3.36Å; E238-K327 PolarHBondContact O-N 3.08Å; E238-K327 WeakPolarHBondContact OE2-CD 3.31Å; E238-K327 WeakPolarHBondContact OE2-CE 3.32Å; D240-K327 HydrophobicContact CB-CG 4.24Å; D240-K327 VanDerWaalsContact CG-CG 3.5Å; D240-K327 WeakPolarHBondContact OD1-CG 3.5Å; D240-K327 IonicContact OD1-NZ 3.49Å; D240-K327 PolarHBondContact OD1-NZ 2.69Å; K327-N329 VanDerWaalsContact C-N 3.27Å; K327-N329 PolarHBondContact O-N 3.11Å
328H64.8Low68.2Low106 Ų10694.9 Ų94.949%0.49144%0.442SS..  trans-70.885.3174.4-175.268.5000110.5D326 P330 T332 R333D326-H328 PolarHBondContact O-N 2.91Å; H328-P330 WeakPolarHBondContact O-CD 3.31Å; H328-P330 VanDerWaalsContact O-N 3.14Å; H328-T332 PolarHBondContact CE1-OG1 3.48Å; H328-R333 PolarHBondContact NE2-NE 2.88Å
329N57.8Low66Low82 Ų8296.8 Ų96.844%0.43945%0.454SS..  trans-58.2116.3169.9175.9-6.4000108.4K327 D331 T332K327-N329 VanDerWaalsContact C-N 3.27Å; K327-N329 PolarHBondContact O-N 3.11Å; N329-D331 PolarHBondContact O-N 3.23Å; N329-D331 VanDerWaalsContact O-N 3.11Å; N329-D331 WeakPolarHBondContact OD1-CB 3.33Å; N329-D331 PolarHBondContact OD1-N 3.45Å; N329-T332 HydrophobicContact CB-CG2 4.22Å; N329-T332 WeakPolarHBondContact O-CB 3.27Å; N329-T332 WeakPolarHBondContact O-CG2 3.35Å; N329-T332 PolarHBondContact O-N 3.38Å; N329-T332 PolarHBondContact O-OG1 2.97Å
330P53.7Low63.7Low96 Ų9699.3 Ų99.362%0.62347%0.469SS*.THydrogen-bonded Turntrans-62.3-23.1-174.125.1-34.9000113.1H328 T332 R333H328-P330 WeakPolarHBondContact O-CD 3.31Å; H328-P330 VanDerWaalsContact O-N 3.14Å; P330-T332 PolarHBondContact O-N 2.81Å; P330-R333 PolarHBondContact O-N 3.19Å
331D52.7Low61.5Low77 Ų77102 Ų10241%0.41249%0.491SS..Hα-helixtrans-69.2-18.2179-155.340.2000112.8N329 R333 R334 R335N329-D331 PolarHBondContact O-N 3.23Å; N329-D331 VanDerWaalsContact O-N 3.11Å; N329-D331 WeakPolarHBondContact OD1-CB 3.33Å; N329-D331 PolarHBondContact OD1-N 3.45Å; D331-R333 PolarHBondContact O-N 3.43Å; D331-R334 WeakPolarHBondContact O-CB 3.39Å; D331-R334 PolarHBondContact O-N 3.39Å; D331-R334 WeakPolarHBondContact OD1-CD 3.3Å; D331-R335 PolarHBondContact O-N 2.9Å
332T53.8Low59.4Low71 Ų71102.4 Ų102.444%0.43650%0.5SS..Hα-helixtrans-58.7-32171.958.30000112.6H328 N329 P330 R335H328-T332 PolarHBondContact CE1-OG1 3.48Å; N329-T332 HydrophobicContact CB-CG2 4.22Å; N329-T332 WeakPolarHBondContact O-CB 3.27Å; N329-T332 WeakPolarHBondContact O-CG2 3.35Å; N329-T332 PolarHBondContact O-N 3.38Å; N329-T332 PolarHBondContact O-OG1 2.97Å; P330-T332 PolarHBondContact O-N 2.81Å; T332-R335 PolarHBondContact O-N 2.89Å
333R47.6Very low57.2Low157 Ų157106.4 Ų106.459%0.59252%0.524SS*.Hα-helixtrans-69.1-38.7174.2-59.6-168.5-168.7-162.12.9111.5H328 P330 D331 R335 R336 Y337H328-R333 PolarHBondContact NE2-NE 2.88Å; P330-R333 PolarHBondContact O-N 3.19Å; D331-R333 PolarHBondContact O-N 3.43Å; R333-R335 PolarHBondContact O-N 3.47Å; R333-R336 PolarHBondContact O-N 3.24Å; R333-Y337 HydrophobicContact CB-CE2 4.41Å; R333-Y337 VanDerWaalsContact O-CD2 3.24Å; R333-Y337 WeakPolarHBondContact O-CD2 3.25Å; R333-Y337 PolarHBondContact O-N 2.89Å
334R47.3Very low55Low207 Ų207104 Ų10478%0.78152%0.524SS*.Hα-helixtrans-65.5-24.4178.3-67.9-172.5169.2-159.6-1.6113.1D331D331-R334 WeakPolarHBondContact O-CB 3.39Å; D331-R334 PolarHBondContact O-N 3.39Å; D331-R334 WeakPolarHBondContact OD1-CD 3.3Å
335R48Very low52.7Low214 Ų214104.2 Ų104.281%0.80854%0.537SS*.THydrogen-bonded Turntrans-84.4-9.1172.8-67.4-69.6-174.9156.41.5114.6D331 T332 R333D331-R335 PolarHBondContact O-N 2.9Å; T332-R335 PolarHBondContact O-N 2.89Å; R333-R335 PolarHBondContact O-N 3.47Å
336R47.9Very low50.6Low155 Ų155106.9 Ų106.959%0.58556%0.558SS**THydrogen-bonded Turntrans-1164.3-175.8-129.6175.9179.9166.7-0.5114.8R333R333-R336 PolarHBondContact O-N 3.24Å
337Y32.3Very low48.6Very low172 Ų172106.2 Ų106.268%0.67556%0.564SS**  trans-103.7109.6159.1-66.5-73.1000109.1R333R333-Y337 HydrophobicContact CB-CE2 4.41Å; R333-Y337 VanDerWaalsContact O-CD2 3.24Å; R333-Y337 WeakPolarHBondContact O-CD2 3.25Å; R333-Y337 PolarHBondContact O-N 2.89Å
338P41.5Very low47Very low99 Ų99105.2 Ų105.264%0.64357%0.571SS**  trans-60139.4155.129-33.4000107.9T340P338-T340 HydrophobicContact CB-CG2 4.39Å; P338-T340 HydrophobicContact CG-CG2 4.3Å; P338-T340 PolarHBondContact O-N 2.88Å
339V38.4Very low46.1Very low108 Ų108102.7 Ų102.766%0.65557%0.569SS**  trans-78.772.3175.7-176.80000108.9A341 T342V339-A341 HydrophobicContact CG1-CB 3.96Å; V339-A341 PolarHBondContact O-N 3.38Å; V339-T342 PolarHBondContact O-N 2.84Å; V339-T342 PolarHBondContact O-OG1 2.81Å
340T40Very low45.5Very low103 Ų103101.7 Ų101.763%0.63257%0.572SS**THydrogen-bonded Turntrans-71.730170.542.60000112.8P338P338-T340 HydrophobicContact CB-CG2 4.39Å; P338-T340 HydrophobicContact CG-CG2 4.3Å; P338-T340 PolarHBondContact O-N 2.88Å
341A42.7Very low44.9Very low59 Ų59101.1 Ų101.149%0.48858%0.575SS.*THydrogen-bonded Turntrans-90.6-19164.900000112.1V339 T343 A344 A345V339-A341 HydrophobicContact CG1-CB 3.96Å; V339-A341 PolarHBondContact O-N 3.38Å; A341-T343 VanDerWaalsContact C-N 3.35Å; A341-A344 PolarHBondContact O-N 3.42Å; A341-A345 PolarHBondContact O-N 2.87Å
342T46.5Very low44.6Very low102 Ų102100.9 Ų100.963%0.62658%0.584SS**Hα-helixtrans-70.3-28.7177450000113V339 A346V339-T342 PolarHBondContact O-N 2.84Å; V339-T342 PolarHBondContact O-OG1 2.81Å; T342-A346 WeakPolarHBondContact O-CB 3.42Å; T342-A346 PolarHBondContact O-N 3.5Å
343T45.5Very low44.1Very low93 Ų93101.1 Ų101.157%0.57159%0.594SS**Hα-helixtrans-80.8-26.9169.644.70000113.1A341 A346 A347A341-T343 VanDerWaalsContact C-N 3.35Å; T343-A346 PolarHBondContact O-N 3.05Å; T343-A347 WeakPolarHBondContact O-CB 3.37Å; T343-A347 PolarHBondContact O-N 2.79Å
344A44.4Very low43.4Very low59 Ų5997.6 Ų97.649%0.48860%0.598SS.*Hα-helixtrans-66.1-40.9167.700000111.1A341 A347 A348A341-A344 PolarHBondContact O-N 3.42Å; A344-A347 PolarHBondContact O-N 3.05Å; A344-A348 WeakPolarHBondContact O-CB 3.29Å; A344-A348 PolarHBondContact O-N 3.07Å
345A45.6Very low43.1Very low62 Ų6290.8 Ų90.851%0.51259%0.586SS.*Hα-helixtrans-61.8-41.7170.500000111.9A341 A349A341-A345 PolarHBondContact O-N 2.87Å; A345-A349 WeakPolarHBondContact O-CB 3.3Å; A345-A349 PolarHBondContact O-N 3.43Å
346A45Very low42.8Very low58 Ų5885.2 Ų85.248%0.47959%0.585SS.*Hα-helixtrans-67-38175.700000113.3T342 T343 A350T342-A346 WeakPolarHBondContact O-CB 3.42Å; T342-A346 PolarHBondContact O-N 3.5Å; T343-A346 PolarHBondContact O-N 3.05Å; A346-A350 VanDerWaalsContact O-CB 3.31Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.3Å
347A43.7Very low42.1Very low64 Ų6483.1 Ų83.153%0.52960%0.595SS.*Hα-helixtrans-72.8-41.4178.800000112.4T343 A344 A350 A351T343-A347 WeakPolarHBondContact O-CB 3.37Å; T343-A347 PolarHBondContact O-N 2.79Å; A344-A347 PolarHBondContact O-N 3.05Å; A347-A350 PolarHBondContact O-N 2.8Å; A347-A351 PolarHBondContact O-N 3.3Å
348A47.2Very low42Very low65 Ų6578.4 Ų78.454%0.53759%0.591SS.*Hα-helixtrans-67.5-36.8172.500000111.8A344 A351 A352A344-A348 WeakPolarHBondContact O-CB 3.29Å; A344-A348 PolarHBondContact O-N 3.07Å; A348-A351 PolarHBondContact O-N 2.66Å; A348-A352 PolarHBondContact O-N 2.89Å
349A46.4Very low41.5Very low54 Ų5479.4 Ų79.445%0.44660%0.596SS.*Hα-helixtrans-66.7-38.6171.700000111.8A345 A351 A352 A353A345-A349 WeakPolarHBondContact O-CB 3.3Å; A345-A349 PolarHBondContact O-N 3.43Å; A349-A351 VanDerWaalsContact C-N 3.31Å; A349-A351 PolarHBondContact O-N 3.13Å; A349-A352 PolarHBondContact O-N 2.91Å; A349-A352 VanDerWaalsContact O-N 3.14Å; A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 2.83Å
350A45Very low41.2Very low60 Ų6082.5 Ų82.550%0.49661%0.605SS.*Hα-helixtrans-62.5-37.717400000112A346 A347 A352 A354A346-A350 VanDerWaalsContact O-CB 3.31Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.3Å; A347-A350 PolarHBondContact O-N 2.8Å; A350-A352 PolarHBondContact O-N 2.86Å; A350-A354 VanDerWaalsContact O-CB 3.24Å; A350-A354 WeakPolarHBondContact O-CB 3.3Å; A350-A354 PolarHBondContact O-N 3.3Å; A350-A354 VanDerWaalsContact O-N 3.11Å
351A42.5Very low40.7Very low84 Ų8483.9 Ų83.969%0.69461%0.607SS**Hα-helixtrans-68.9-16.3175.300000114.5A347 A348 A349A347-A351 PolarHBondContact O-N 3.3Å; A348-A351 PolarHBondContact O-N 2.66Å; A349-A351 VanDerWaalsContact C-N 3.31Å; A349-A351 PolarHBondContact O-N 3.13Å
352A45.2Very low40.1Very low72 Ų7284.8 Ų84.860%0.59562%0.615SS**Hα-helixtrans-110.5-31.9179.200000113.6A348 A349 A350 A354 A355A348-A352 PolarHBondContact O-N 2.89Å; A349-A352 PolarHBondContact O-N 2.91Å; A349-A352 VanDerWaalsContact O-N 3.14Å; A350-A352 PolarHBondContact O-N 2.86Å; A352-A354 VanDerWaalsContact C-N 3.28Å; A352-A355 PolarHBondContact O-N 2.81Å
353A44.3Very low39.3Very low77 Ų7787.8 Ų87.864%0.63663%0.627SS**Hα-helixtrans-81.4-6.5173.400000112.8A349 A355A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 2.83Å; A353-A355 PolarHBondContact O-N 2.8Å
354A32.8Very low38.7Very low83 Ų8389 Ų8969%0.68663%0.634SS**THydrogen-bonded Turntrans-72.217.8156.200000113.5A350 A352A350-A354 VanDerWaalsContact O-CB 3.24Å; A350-A354 WeakPolarHBondContact O-CB 3.3Å; A350-A354 PolarHBondContact O-N 3.3Å; A350-A354 VanDerWaalsContact O-N 3.11Å; A352-A354 VanDerWaalsContact C-N 3.28Å
355A39.9Very low38.2Very low64 Ų6491.6 Ų91.653%0.52964%0.64SS.*  trans-58.3-168.5138.600000111.1A352 A353 S357A352-A355 PolarHBondContact O-N 2.81Å; A353-A355 PolarHBondContact O-N 2.8Å; A355-S357 VanDerWaalsContact C-N 3.29Å; A355-S357 PolarHBondContact O-N 3.11Å; A355-S357 VanDerWaalsContact O-N 3.08Å
356A41.3Very low37.4Very low96 Ų9697.6 Ų97.679%0.79365%0.65SS**SBendtrans64.314.2164.200000118.7
357S33Very low36.8Very low111 Ų111100.8 Ų100.878%0.77666%0.66SS**  trans-145.255.2149.650.80000110.3A355A355-S357 VanDerWaalsContact C-N 3.29Å; A355-S357 PolarHBondContact O-N 3.11Å; A355-S357 VanDerWaalsContact O-N 3.08Å
358A31.9Very low36.4Very low73 Ų73103.6 Ų103.660%0.60367%0.666SS**  57.4125.361.700000113.1
359T31.1Very low35.9Very low121 Ų121108.3 Ų108.374%0.74268%0.681SS**  trans63.6122.7-171.24.90000112.5I361T359-I361 HydrophobicContact CG2-CD1 4.43Å; T359-I361 HydrophobicContact CG2-CG1 4.34Å
360M30.4Very low35.3Very low172 Ų172111.4 Ų111.485%0.84769%0.689SS**  -160.9162.451.7-77.6-166.5-175.300110.9
361I30Very low34.8Very low133 Ų133115.6 Ų115.668%0.68270%0.703SS**  cis-162.3160.8-23.9-115.1165.9000106.9T359T359-I361 HydrophobicContact CG2-CD1 4.43Å; T359-I361 HydrophobicContact CG2-CG1 4.34Å
362A29.8Very low34.3Very low77 Ų77116.6 Ų116.664%0.63670%0.704SS**  trans46.1109.5166.200000117.9
363N31.3Very low33.8Very low165 Ų165118.3 Ų118.388%0.88271%0.709SS**SBend-125.661.388.8-164.915.4000113.9
364V32.1Very low33.1Very low119 Ų119121.9 Ų121.972%0.72172%0.717SS**SBendtrans-127112.9151.7-158.70000106.4Y366V364-Y366 PolarHBondContact O-N 3.4Å; V364-Y366 VanDerWaalsContact O-N 3.15Å
365N34.8Very low33Very low114 Ų114127.7 Ų127.761%0.6172%0.722SS**  trans-79.994.9179.2176.73.5000109.9N367N365-N367 VanDerWaalsContact OD1-CG 3.3Å; N365-N367 PolarHBondContact OD1-N 2.93Å; N365-N367 PolarHBondContact OD1-ND2 2.78Å
366Y28.1Very low32.5Very low187 Ų187130.9 Ų130.973%0.73374%0.735SS**  trans-113.788.6147.4-91.9-85.2000108.6V364 N368V364-Y366 PolarHBondContact O-N 3.4Å; V364-Y366 VanDerWaalsContact O-N 3.15Å; Y366-N368 PolarHBondContact O-N 2.81Å
367N31.4Very low32Very low126 Ų126130.3 Ų130.367%0.67473%0.731SS**  trans-46.1138.8155-70.8-45.7000109.4N365N365-N367 VanDerWaalsContact OD1-CG 3.3Å; N365-N367 PolarHBondContact OD1-N 2.93Å; N365-N367 PolarHBondContact OD1-ND2 2.78Å
368N35.7Very low32.1Very low123 Ų123130.3 Ų130.366%0.65873%0.728SS**  trans79.251167.4-61.6-13.3000120Y366 L370Y366-N368 PolarHBondContact O-N 2.81Å; N368-L370 HydrophobicContact CB-CD1 3.64Å; N368-L370 HydrophobicContact CB-CG 4.02Å
369L37Very low32.1Very low164 Ų164135 Ų13586%0.85974%0.743SS**  trans-124.254.9140.3-71.2173.4000108.6
370L34.4Very low32Very low118 Ų118132.5 Ų132.562%0.61874%0.741SS**  43.3106.778.8-88.2-178.6000113.1N368N368-L370 HydrophobicContact CB-CD1 3.64Å; N368-L370 HydrophobicContact CB-CG 4.02Å
371N34.5Very low32.2Very low149 Ų149132.5 Ų132.580%0.79774%0.744SS**  trans56.9130163.5-75.59.1000117.2
372C30.5Very low32.3Very low104 Ų104132.8 Ų132.870%0.70375%0.752SS**  cis-154.5164.313.7-97.80000111.1
373P34.4Very low32.3Very low108 Ų108136.2 Ų136.270%0.70176%0.759SS**  trans-79.6157158.935.5-33.9000111.3
374L31.1Very low32.5Very low152 Ų152133.1 Ų133.180%0.79675%0.746SS**  -174.7134.8128.4-12363.7000115.1
375Y30.3Very low32.8Very low205 Ų205132.5 Ų132.580%0.80475%0.747SS**  trans36.1107.4139-86.4-108.2000122.4
376T28.9Very low33.2Very low131 Ų131134.3 Ų134.380%0.80475%0.751SS**  18.9114.7111.7-43.50000119.5
377A30.6Very low34Very low84 Ų84131.6 Ų131.669%0.69475%0.75SS**  trans-154.6140.2141.200000110.2
378P36.4Very low34.5Very low111 Ų111129.4 Ų129.472%0.72175%0.749SS**SBendtrans-74.6140.9167.131.2-32.1000110.3
379N31.4Very low34.8Very low171 Ų171127.4 Ų127.491%0.91474%0.738SS**SBendtrans67.352.7168.1-46.8-11.7000116.5
380G29.6Very low35.1Very low69 Ų69123 Ų12371%0.71173%0.725SS**  trans-156.3121.1170.500000114
381L33.2Very low35.6Very low172 Ų172120.2 Ų120.290%0.90172%0.715SS**  trans-85.2127179.4-71167.7000112
382T32.9Very low35.9Very low139 Ų139118.1 Ų118.185%0.85370%0.704SS**  trans-141.2150.8156.248.50000109.8
383L29.8Very low36.7Very low150 Ų150121.3 Ų121.379%0.78571%0.713SS**  trans-135167.3-172.1-81.6169.5000112.3
384T34.9Very low36.9Very low99 Ų99123.1 Ų123.161%0.60772%0.717SS**  trans63.7112.7164.568.70000118.7H386T384-H386 HydrophobicContact CG2-CB 3.69Å
385S39.5Very low37.2Very low107 Ų107117.7 Ų117.775%0.74869%0.69SS**  -96.3119.489.552.40000107.7
386H41.6Very low37.5Very low151 Ų151110 Ų11070%0.69967%0.673SS**  trans-90.3-6.8-168.5-136.531.2000113.2T384T384-H386 HydrophobicContact CG2-CB 3.69Å
387D45.5Very low37.9Very low131 Ų131109 Ų10970%0.70166%0.662SS**  trans-99.36.8-164.7-54.7-88.3000114L389D387-L389 WeakPolarHBondContact O-CA 3.45Å
388A43.1Very low38.1Very low80 Ų80111.3 Ų111.366%0.66167%0.667SS**THydrogen-bonded Turntrans-118.372.9-170.900000113.6
389L40.9Very low37.7Very low81 Ų81109.2 Ų109.242%0.42466%0.656SS.*THydrogen-bonded Turncis-147.4114.310-66161000112D387 S391 L392D387-L389 WeakPolarHBondContact O-CA 3.45Å; L389-S391 VanDerWaalsContact CB-C 3.41Å; L389-S391 PolarHBondContact O-N 3.07Å; L389-L392 HydrophobicContact CB-CB 3.94Å; L389-L392 HydrophobicContact CB-CG 4.26Å; L389-L392 VanDerWaalsContact CB-N 3.28Å; L389-L392 HydrophobicContact CD1-CB 4.41Å; L389-L392 HydrophobicContact CD1-CD1 4.1Å; L389-L392 HydrophobicContact CD1-CG 3.83Å; L389-L392 PolarHBondContact O-N 3.44Å
390A43.2Very low38.4Very low70 Ų70105.6 Ų105.658%0.57964%0.641SS**Hα-helixtrans-58.6-25.5150.200000110.3L392 L393 N394A390-L392 PolarHBondContact O-N 3.33Å; A390-L393 CarbonylContact O-C 3.53Å; A390-L393 PolarHBondContact O-N 2.93Å; A390-N394 VanDerWaalsContact O-CB 3.3Å; A390-N394 WeakPolarHBondContact O-CB 3.4Å; A390-N394 PolarHBondContact O-N 3.04Å
391S44.8Very low38.6Very low60 Ų60106.6 Ų106.642%0.4264%0.637SS.*Hα-helixtrans-80.928.7167-177.90000114.2L389 T395L389-S391 VanDerWaalsContact CB-C 3.41Å; L389-S391 PolarHBondContact O-N 3.07Å; S391-T395 WeakPolarHBondContact O-CG2 3.35Å; S391-T395 PolarHBondContact O-OG1 3.05Å; S391-T395 WeakPolarHBondContact OG-CG2 3.33Å
392L41.3Very low38.9Very low106 Ų106104.4 Ų104.456%0.55563%0.625SS**Hα-helixtrans-109.2-40.9153.7-109170.2000108.7L389 A390 N394 T395L389-L392 HydrophobicContact CB-CB 3.94Å; L389-L392 HydrophobicContact CB-CG 4.26Å; L389-L392 VanDerWaalsContact CB-N 3.28Å; L389-L392 HydrophobicContact CD1-CB 4.41Å; L389-L392 HydrophobicContact CD1-CD1 4.1Å; L389-L392 HydrophobicContact CD1-CG 3.83Å; L389-L392 PolarHBondContact O-N 3.44Å; A390-L392 PolarHBondContact O-N 3.33Å; L392-N394 VanDerWaalsContact C-N 3.35Å; L392-T395 VanDerWaalsContact CA-OG1 3.3Å; L392-T395 WeakPolarHBondContact CA-OG1 3.32Å; L392-T395 PolarHBondContact O-N 2.98Å; L392-T395 PolarHBondContact O-OG1 2.81Å
393L47.8Very low39.2Very low171 Ų171103.4 Ų103.490%0.89562%0.619SS**Hα-helixtrans-76.6-19.6175.3-63.1169.2000113.3A390A390-L393 CarbonylContact O-C 3.53Å; A390-L393 PolarHBondContact O-N 2.93Å
394N37.6Very low39.3Very low145 Ų145101.6 Ų101.678%0.77561%0.61SS**THydrogen-bonded Turntrans-114.718172.2-166.446000112.6A390 L392A390-N394 VanDerWaalsContact O-CB 3.3Å; A390-N394 WeakPolarHBondContact O-CB 3.4Å; A390-N394 PolarHBondContact O-N 3.04Å; L392-N394 VanDerWaalsContact C-N 3.35Å
395T38.7Very low39.1Very low38 Ų38101.5 Ų101.523%0.23361%0.613CS.*SBendtrans-113.7131.6163.951.70000110.2S391 L392 L397S391-T395 WeakPolarHBondContact O-CG2 3.35Å; S391-T395 PolarHBondContact O-OG1 3.05Å; S391-T395 WeakPolarHBondContact OG-CG2 3.33Å; L392-T395 VanDerWaalsContact CA-OG1 3.3Å; L392-T395 WeakPolarHBondContact CA-OG1 3.32Å; L392-T395 PolarHBondContact O-N 2.98Å; L392-T395 PolarHBondContact O-OG1 2.81Å; T395-L397 HydrophobicContact CG2-CD1 3.95Å; T395-L397 PolarHBondContact O-N 3.4Å
396G35.8Very low39.7Very low44 Ų44103 Ų10345%0.45461%0.608SS.*  trans-71.960.7165.300000112.7V398 S399G396-V398 VanDerWaalsContact C-C 3.45Å; G396-V398 CarbonylContact O-C 3.6Å; G396-S399 WeakPolarHBondContact CA-OG 3.43Å; G396-S399 PolarHBondContact O-N 3.3Å
397L37.8Very low39.3Very low110 Ų110101 Ų10158%0.57660%0.602SS**THydrogen-bonded Turntrans-133.569.6-173.8-65.8175.5000110T395T395-L397 HydrophobicContact CG2-CD1 3.95Å; T395-L397 PolarHBondContact O-N 3.4Å
398V33.7Very low38.6Very low132 Ų13298.4 Ų98.480%0.860%0.599SS**THydrogen-bonded Turncis-97134.921.4-1720000113.2G396G396-V398 VanDerWaalsContact C-C 3.45Å; G396-V398 CarbonylContact O-C 3.6Å
399S29.4Very low38.7Very low68 Ų6899.8 Ų99.848%0.47660%0.595SS.*  trans-156.3163.3157.6-67.70000110.9G396G396-S399 WeakPolarHBondContact CA-OG 3.43Å; G396-S399 PolarHBondContact O-N 3.3Å
400P46.3Very low38.2Very low95 Ų9599.9 Ų99.962%0.61759%0.592SS**  cis-116.393.8-20.527.4-9.1000108I402P400-I402 WeakPolarHBondContact O-CA 3.29Å; P400-I402 VanDerWaalsContact O-CB 3.26Å; P400-I402 WeakPolarHBondContact O-CB 3.48Å; P400-I402 PolarHBondContact O-N 2.87Å
401S33.2Very low37.6Very low89 Ų89102.6 Ų102.662%0.62261%0.607SS**  trans-37.616.3-153.8-42.70000123.6V403S401-V403 PolarHBondContact O-N 3.36Å
402I39.1Very low37Very low127 Ų127103.8 Ų103.865%0.65162%0.62SS**  -43.597.9122.4-54.3164.4000107.7P400P400-I402 WeakPolarHBondContact O-CA 3.29Å; P400-I402 VanDerWaalsContact O-CB 3.26Å; P400-I402 WeakPolarHBondContact O-CB 3.48Å; P400-I402 PolarHBondContact O-N 2.87Å
403V39.3Very low36.5Very low118 Ų118103.3 Ų103.372%0.71562%0.618SS**SBend-141.668.8111.7-162.10000107.6S401S401-V403 PolarHBondContact O-N 3.36Å
404N31Very low35.6Very low111 Ų111104 Ų10459%0.59462%0.617SS**  trans40.185.8160.9-58.9-15.8000117Q406N404-Q406 HydrophobicContact CB-CB 4.17Å
405S32.6Very low35.1Very low97 Ų97104.3 Ų104.368%0.67861%0.614SS**  trans-138.678.2157.2-76.70000112.3L407S405-L407 WeakPolarHBondContact OG-CB 3.35Å
406Q50.2Low34.6Very low138 Ų138110.9 Ų110.965%0.64564%0.639SS**  cis50.614.111.1-76.2-91.3-5700115.3N404 N409N404-Q406 HydrophobicContact CB-CB 4.17Å; Q406-N409 PolarHBondContact NE2-ND2 2.95Å
407L33.3Very low34.1Very low110 Ų110113.8 Ų113.858%0.57665%0.652SS**  trans-133.414.6174.7-157.678.3000109.8S405 F410S405-L407 WeakPolarHBondContact OG-CB 3.35Å; L407-F410 HydrophobicContact CD1-CD2 4.04Å; L407-F410 HydrophobicContact CD1-CE2 3.65Å; L407-F410 HydrophobicContact CD1-CZ 4.34Å; L407-F410 HydrophobicContact CG-CD2 4.21Å; L407-F410 HydrophobicContact CG-CE2 4.3Å; L407-F410 WeakPolarHBondContact O-CB 3.5Å
408A30.8Very low33.7Very low76 Ų76113.7 Ų113.763%0.62866%0.656SS**SBendtrans-127.7-10.8174.900000111.4F410 S411A408-F410 PolarHBondContact O-N 2.94Å; A408-S411 PolarHBondContact O-N 2.89Å
409N46.9Very low33.4Very low109 Ų109112.4 Ų112.458%0.58365%0.649SS**THydrogen-bonded Turn-53.641.9124.6-79.81.1000113Q406Q406-N409 PolarHBondContact NE2-ND2 2.95Å
410F29.6Very low33.3Very low83 Ų83115.3 Ų115.336%0.36466%0.659SS.*THydrogen-bonded Turntrans-119.8-3.6164-100.7-107.9000111.1L407 A408 A412 L413 Q414L407-F410 HydrophobicContact CD1-CD2 4.04Å; L407-F410 HydrophobicContact CD1-CE2 3.65Å; L407-F410 HydrophobicContact CD1-CZ 4.34Å; L407-F410 HydrophobicContact CG-CD2 4.21Å; L407-F410 HydrophobicContact CG-CE2 4.3Å; L407-F410 WeakPolarHBondContact O-CB 3.5Å; A408-F410 PolarHBondContact O-N 2.94Å; F410-A412 PolarHBondContact O-N 3.46Å; F410-A412 VanDerWaalsContact O-N 3.11Å; F410-L413 HydrophobicContact CB-CB 4.49Å; F410-L413 HydrophobicContact CD1-CB 3.67Å; F410-L413 WeakPolarHBondContact CD1-O 3.49Å; F410-L413 HydrophobicContact CD2-CB 4.02Å; F410-L413 HydrophobicContact CE1-CB 3.75Å; F410-L413 HydrophobicContact CE2-CB 4.09Å; F410-L413 HydrophobicContact CE2-CD1 4.17Å; F410-L413 HydrophobicContact CG-CB 3.82Å; F410-L413 HydrophobicContact CZ-CB 3.96Å; F410-L413 HydrophobicContact CZ-CD1 4.2Å; F410-L413 CarbonylContact O-C 3.54Å; F410-L413 PolarHBondContact O-N 3.49Å; F410-Q414 PolarHBondContact O-N 3.3Å
411S29.9Very low32.3Very low128 Ų128119 Ų11990%0.89567%0.665SS**THydrogen-bonded Turntrans-64.9-5.5157-570000112.9A408A408-S411 PolarHBondContact O-N 2.89Å
412A32.2Very low32.1Very low84 Ų84119.3 Ų119.369%0.69466%0.664SS**THydrogen-bonded Turntrans-114.54165.200000113.6F410F410-A412 PolarHBondContact O-N 3.46Å; F410-A412 VanDerWaalsContact O-N 3.11Å
413L30.5Very low31.5Very low97 Ų97117.8 Ų117.851%0.50866%0.664SS.*THydrogen-bonded Turntrans-138.613.4179.6-96.3178.8000115.4F410 Q415F410-L413 HydrophobicContact CB-CB 4.49Å; F410-L413 HydrophobicContact CD1-CB 3.67Å; F410-L413 WeakPolarHBondContact CD1-O 3.49Å; F410-L413 HydrophobicContact CD2-CB 4.02Å; F410-L413 HydrophobicContact CE1-CB 3.75Å; F410-L413 HydrophobicContact CE2-CB 4.09Å; F410-L413 HydrophobicContact CE2-CD1 4.17Å; F410-L413 HydrophobicContact CG-CB 3.82Å; F410-L413 HydrophobicContact CZ-CB 3.96Å; F410-L413 HydrophobicContact CZ-CD1 4.2Å; F410-L413 CarbonylContact O-C 3.54Å; F410-L413 PolarHBondContact O-N 3.49Å; L413-Q415 PolarHBondContact O-N 2.88Å; L413-Q415 VanDerWaalsContact O-N 3.08Å
414Q29.4Very low31Very low185 Ų185121.7 Ų121.786%0.86467%0.666SS**  trans-73.531.1148-76.8-158.2-6.600111.3F410 K416F410-Q414 PolarHBondContact O-N 3.3Å; Q414-K416 PolarHBondContact O-N 3.41Å
415Q27.6Very low30.9Very low152 Ų152124.2 Ų124.271%0.7167%0.672SS**  trans-73.5120.2146.7-78.3-157.73.200108.4L413L413-Q415 PolarHBondContact O-N 2.88Å; L413-Q415 VanDerWaalsContact O-N 3.08Å
416K27.1Very low30.6Very low176 Ų176125.7 Ų125.777%0.76567%0.672SS**SBendtrans66.398.7136.1-169.7-176.4178.4-177.80116.4Q414Q414-K416 PolarHBondContact O-N 3.41Å
417S27.2Very low29.4Very low104 Ų104123.6 Ų123.673%0.72767%0.673SS**  trans66.6172151.2720000114.7
418T27.8Very low29.2Very low109 Ų109126.4 Ų126.467%0.66968%0.683SS**  cis-119152.71.836.40000109.6
419T27.5Very low29.2Very low104 Ų104128.7 Ų128.764%0.63868%0.684SS**  29.7114.492.692.40000110.9
420D27.1Very low28.4Very low129 Ų129129.6 Ų129.669%0.6969%0.688SS**  -166.3163.954-80.9-64.1000108.4
421F27Very low28.3Very low172 Ų172131.7 Ų131.775%0.75470%0.704SS**  cis-137.5150.810.9-131.7-158.9000107.9
422T27Very low28.3Very low97 Ų97128.6 Ų128.660%0.59569%0.691SS**  39.311296.5-410000112
423S28.1Very low28.1Very low94 Ų94133 Ų13366%0.65770%0.695SS**  -157.5139.150.887.20000111.1
424R27.7Very low28.2Very low200 Ų200135.6 Ų135.676%0.75571%0.708SS**  73.613596.6-72.4-175.9-178.6-172.90.6115.4
425F29.8Very low28.5Very low165 Ų165133.2 Ų133.272%0.72470%0.697SS**  trans74.8126.1145.9-78.2-134.4000113.6
426N25.4Very low28.8Very low127 Ų127130.9 Ų130.968%0.67970%0.695SS**  60.5136.279-67.3-35.5000112.5
427S26.5Very low29.1Very low94 Ų94127.2 Ų127.266%0.65769%0.687SS**  trans62.2141.4153.348.50000117.8
428E28.3Very low29.4Very low170 Ų170129.8 Ų129.879%0.79469%0.686SS**  trans71.6149.2144.6-70.9-177.7-167.200117.4
429L29.7Very low29.6Very low124 Ų124132.5 Ų132.565%0.64969%0.688SS**  cis-151.3155.7-9.6-102.8157.9000108.7
430L30.8Very low30.1Very low127 Ų127131.8 Ų131.867%0.66569%0.688SS**  trans56.1155.5140.9-64.9168.6000122.9
431N28.2Very low30.5Very low128 Ų128131.9 Ų131.968%0.68469%0.688SS**  trans29.9132.7136.8-49.4-10.1000119.3
432G29.5Very low31.1Very low62 Ų62129.6 Ų129.664%0.63968%0.684SS**  cis90.1162.72200000112.4
433F27.2Very low31.7Very low176 Ų176129.8 Ų129.877%0.77269%0.689SS**  trans63.3169.9-164.6-65.9-104.9000111.6
434I32.9Very low32.4Very low152 Ų152129.7 Ų129.778%0.77969%0.688SS**  cis-129.7123.512.1-63.1167.3000106.4
435Q35.6Very low32.7Very low136 Ų136127.4 Ų127.464%0.63669%0.691SS**  62.1147.884-125.6-159.286.800114.2
436P34Very low32.9Very low103 Ų103126.5 Ų126.567%0.66969%0.694SS**  -149.4143.981.437.4-19.2000117.2
437T33.8Very low33.5Very low98 Ų98126 Ų12660%0.60170%0.695SS**  trans63.7147.8146.559.30000119.6
438K33Very low33.8Very low159 Ų159126.9 Ų126.969%0.69170%0.697SS**  cis-168.5171.1-0.1-109.5167.2-179.2175.40106.5
439F32.3Very low33.9Very low165 Ų165123.7 Ų123.772%0.72469%0.693SS**  cis-162.1152.1-3.2-126.4-26.9000107.6
440S37.6Very low34.1Very low89 Ų89124.4 Ų124.462%0.62270%0.697SS**  trans62.2161.6148.5-63.50000120.2
441N36.4Very low34.2Very low132 Ų132125.3 Ų125.371%0.70670%0.702SS**  cis-176.9150.9-29.4-92.7123000105.5
442D38.6Very low34.4Very low124 Ų124124 Ų12466%0.66370%0.699SS**  cis-164.9-174.3-12.6-145.9-86.2000110.6
443S41.3Very low34.7Very low101 Ų101127 Ų12771%0.70671%0.706SS**  trans32.5142.8144.1-76.50000122.9
444S40.7Very low35.1Very low91 Ų91124.8 Ų124.864%0.63670%0.701SS**  cis-172.3168.17.452.30000113.7
445N35.8Very low35.2Very low153 Ų153124 Ų12482%0.81870%0.697SS**  trans57.6122.4154.6-55.6-23000119.3
446N33.8Very low35.2Very low145 Ų145123.4 Ų123.478%0.77570%0.699SS**  -169129.671.5-164.922.4000113.1
447T36.6Very low35.2Very low116 Ų116125.7 Ų125.771%0.71270%0.7SS**  trans32.1134.5136.3-50.90000121
448T33.8Very low35Very low114 Ų114130.7 Ų130.770%0.69971%0.71SS**  cis-170.8178.1-8.4-89.60000107.7
449C30.8Very low34.9Very low103 Ų103129.4 Ų129.470%0.69671%0.71SS**  trans92.170.2172.7-61.70000117.6
450N32.4Very low35.1Very low138 Ų138128.9 Ų128.974%0.73871%0.709SS**  47129126.9-38.5-17.3000119.5
451N32.9Very low34.7Very low146 Ų146130 Ų13078%0.78171%0.709SS**SBendcis-165.7136.7-3-103.1-4.2000105.9
452T33.2Very low34.5Very low101 Ų101130.9 Ų130.962%0.6271%0.713SS**  cis-153.6117.7-4.4-60.80000109.2
453T36Very low34.2Very low126 Ų126130 Ų13077%0.77372%0.717SS**  trans58.4157.6162.757.70000120.5
454N35.4Very low34Very low128 Ų128132.8 Ų132.868%0.68472%0.722SS**  cis-173.4134.6-47.7-113.99.9000106.6
455I35.5Very low33.8Very low135 Ų135134.8 Ų134.869%0.69273%0.726SS**  59139.7100.9-73.9177.8000114.5
456N36.1Very low33.7Very low125 Ų125134.1 Ų134.167%0.66872%0.722SS**  cis152155.3-16.4-114.7-36.6000106.5
457H32.4Very low33.7Very low150 Ų150133.9 Ų133.969%0.69472%0.721SS**  trans81.9165144.7-84.333.6000122.8
458Y29.9Very low33.6Very low204 Ų204134.9 Ų134.980%0.872%0.722SS**  trans74.6108.9-179.1-63.8-79.9000116.1
459N32.2Very low33.5Very low131 Ų131134.7 Ų134.770%0.70172%0.721SS**  cis7899.417.1-168.719000117.1
460H34.8Very low33.7Very low154 Ų154136.9 Ų136.971%0.71373%0.726SS**  trans171.3154.4156-98.927.5000107.8
461N29.5Very low33.8Very low114 Ų114137.5 Ų137.561%0.6173%0.729SS**  cis-161.8-177.4-16.8-116.5-1.2000109.4
462N32.7Very low33.9Very low150 Ų150133.6 Ų133.680%0.80272%0.717SS**  trans72.5107.8178.7-53.8-12.3000113.5
463S32.2Very low34.1Very low105 Ų105136.7 Ų136.773%0.73473%0.73SS**  cis67.5114.627.5-1620000115.3
464I37.2Very low34.1Very low159 Ų159134 Ų13482%0.81573%0.727SS**  trans-169.5125.2130.9-95.1154000108.5
465N35.8Very low34.1Very low133 Ų133136 Ų13671%0.71174%0.736SS**  trans24.9150.5150.7-63.2-4.8000122.5
466N34.4Very low34.1Very low140 Ų140134.7 Ų134.775%0.74974%0.735SS**  cis-151168.413.3-136.4-14000114.7
467N34.6Very low34.1Very low140 Ų140134.8 Ų134.875%0.74974%0.74SS**  trans-102.7-179.9-172.8-77.4-36.4000115.1
468N34.5Very low34.1Very low136 Ų136133.5 Ų133.573%0.72774%0.738SS**  trans91.7121.1165.7-55.9-11.3000115.3
469T32.1Very low34.4Very low111 Ų111132 Ų13268%0.68174%0.736SS**  cis82.5149.332.779.10000115.8
470N34.8Very low34.4Very low149 Ų149133.4 Ų133.480%0.79774%0.744SS**  trans78147.3-175.5-38.4-36.3000113
471N33.1Very low34.3Very low150 Ų150129.5 Ų129.580%0.80275%0.745SS**  cis-155.8140.39.1-161.922.4000114.9
472A36.2Very low34.5Very low64 Ų64128.4 Ų128.453%0.52976%0.761SS.*  trans51.3160.3145.800000125.8
473N36.4Very low34.6Very low166 Ų166124.9 Ų124.989%0.88876%0.76SS**  trans80.5128.2164.3-47.6-40.9000117.2
474G37.2Very low34.9Very low69 Ų69126.4 Ų126.471%0.71177%0.765SS**  cis-156.5147.7-700000110.4
475L34.9Very low34.8Very low170 Ų170128.8 Ų128.889%0.8976%0.764SS**  66.8122.895.8-161.282.2000113.8
476V34.5Very low34.9Very low109 Ų109128.7 Ų128.766%0.66176%0.759SS**  cis158.3163.7-15.4147.20000105.6
477T36.8Very low35.2Very low126 Ų126125.8 Ų125.877%0.77375%0.75SS**  trans83.9151.9179.672.50000118.7
478D31.6Very low35.3Very low124 Ų124125.9 Ų125.966%0.66375%0.75SS**  -171.3161.9-50.3-115.1-46.2000114
479F36.2Very low35.3Very low173 Ų173127.4 Ų127.476%0.75976%0.758SS**  trans59.8136.2158.3-74.7-65.9000125.2
480N33.2Very low35.3Very low159 Ų159126.7 Ų126.785%0.8576%0.763SS**  trans67.8144.6153-68-22.6000121.2
481G32.4Very low35.1Very low73 Ų73124.2 Ų124.275%0.75376%0.763SS**  cis163.7127.9-11.600000116.1
482G33.1Very low35Very low90 Ų90125.6 Ų125.693%0.92877%0.77SS**  trans77.8151.3176.200000114.6
483G36.3Very low34.8Very low77 Ų77127.1 Ų127.179%0.79478%0.782SS**  cis163.2158.2-1.400000108.1
484T36.9Very low34.3Very low137 Ų137124.3 Ų124.384%0.8478%0.782SS**  cis-118.5-168.8654.10000109.8
485R36.1Very low34Very low208 Ų208126.1 Ų126.179%0.78579%0.79SS**  cis73.9126.821.5-86.6-162.1177.1-142.28.3115.1
486E37.4Very low33.8Very low131 Ų131122.3 Ų122.361%0.61278%0.783SS**  cis-139.1-161.72-57.6-156.9164.200110.6
487S41.7Very low33.6Very low80 Ų80121.6 Ų121.656%0.55979%0.789SS**  cis-163159.57.9-143.90000114.1
488N36.7Very low33.4Very low141 Ų141120.2 Ų120.275%0.75479%0.79SS**  trans25145.4143.3-55.6-29.3000121.4
489L34.2Very low33.4Very low168 Ų168118.9 Ų118.988%0.8880%0.796SS**  cis-158.4147.536.7-174.869.7000112.8
490A31.2Very low33.3Very low96 Ų96115.1 Ų115.179%0.79380%0.797SS**  trans-153.2130.9167.700000112.1
491A31.2Very low33.2Very low97 Ų97112.3 Ų112.380%0.80279%0.79SS**  trans175.8110.2157.900000113.5
492L30.9Very low33Very low180 Ų180114.9 Ų114.994%0.94279%0.791SS**  trans-177.5135.7146.9-139.164000109.4
493A31.8Very low32.8Very low96 Ų96116.8 Ų116.879%0.79378%0.779SS**  cis-153.8166.8-26.800000108.3
494A25.7Very low32.4Very low106 Ų106121.6 Ų121.688%0.87678%0.778SS**  trans-115.4123.1-178.500000113.1
495A30.4Very low32Very low107 Ų107120 Ų12088%0.88477%0.771SS**  trans-169.6147.9162.800000107.2
496A31Very low31.8Very low90 Ų90113.6 Ų113.674%0.74477%0.771SS**  cis-127.9154-5.800000107.1
497A30.4Very low31.3Very low94 Ų94113 Ų11378%0.77778%0.781SS**  63.1141.65400000113.9
498A32Very low30.7Very low98 Ų98114.9 Ų114.981%0.8179%0.791SS**  trans69.2107.6-161.800000113.2
499A33.1Very low30.5Very low95 Ų95113.9 Ų113.979%0.78579%0.79SS**  77.1106.578.700000111.2
500A33.2Very low30.4Very low94 Ų94111.1 Ų111.178%0.77778%0.782SS**  70.9132.989.100000111.5
501S31.4Very low30.4Very low100 Ų100112.6 Ų112.670%0.69978%0.777SS**  cis179.2-157.68.4-95.10000104.7
502T28.1Very low30.4Very low128 Ų128114.5 Ų114.579%0.78577%0.774SS**  trans72.9146.4174.481.60000113.3
503I29.1Very low30.2Very low129 Ų129113.2 Ų113.266%0.66276%0.761SS**  cis-141.7152-2.10.6173.8000105.2
504F27Very low30.1Very low179 Ų179115.1 Ų115.179%0.78576%0.755SS**  cis-136.2144.618.2-107.7-89.1000107.1
505C29.9Very low30.3Very low102 Ų102115.8 Ų115.869%0.68974%0.743SS**  cis64.8134.340.1-49.40000112.2
506G31.5Very low30.3Very low75 Ų75117.2 Ų117.277%0.77374%0.737SS**  cis-167.6165.8-8.300000109.4
507S27.2Very low30.2Very low118 Ų118118.2 Ų118.283%0.82574%0.737SS**SBendtrans-69.4172.3168.656.50000110.6
508P29.1Very low30.3Very low119 Ų119120.4 Ų120.477%0.77374%0.735SS**  trans-73.6160.2-145.127.6-35.5000117.1
509T32.6Very low30.3Very low121 Ų121125.8 Ų125.874%0.74273%0.734SS**  trans-32157.2154.839.80000115.4
510P32.7Very low30.4Very low109 Ų109126.4 Ų126.471%0.70873%0.732SS**  cis-143.2150.335.540-20.4000119.9
511N30.2Very low30.3Very low127 Ų127128.1 Ų128.168%0.67973%0.729SS**  trans51138.1130.7-55-7.4000122.7
512N30.2Very low31Very low138 Ų138128.1 Ų128.174%0.73873%0.726SS**  trans73.4144.8149.7-63.1-11.9000116.6
513F28.1Very low31.3Very low153 Ų153127.7 Ų127.767%0.67172%0.724SS**  cis-149.3162.69.1-139.6-152.9000110
514M30.2Very low31.6Very low136 Ų136127 Ų12767%0.6773%0.725SS**  trans36.3138.5143.6-69.8-172.4-177.300120.9
515N29.9Very low31.8Very low119 Ų119125.6 Ų125.664%0.63673%0.726SS**  cis-162.3179.810.8-136.3-40.4000112.7
516N30.1Very low31.9Very low138 Ų138124.2 Ų124.274%0.73873%0.729SS**  trans-37.1139.6158.2-64.9-73.9000114.3
517C28.5Very low32.1Very low111 Ų111125.5 Ų125.575%0.7573%0.732SS**  172.1142.3117.9-85.80000109.9
518L32.8Very low32.8Very low140 Ų140125.7 Ų125.773%0.73373%0.73SS**  cis-158.9174.9-8.8-120.9170.3000109.9
519R31.8Very low32.9Very low210 Ų210126.8 Ų126.879%0.79273%0.73SS**  trans-33.2158.7159.9-63.5166.2165.2-178.9-7.1113.7
520S35.8Very low32.9Very low108 Ų108127.6 Ų127.676%0.75573%0.729SS**  -171.6165.858.2-47.80000111
521N31.4Very low32.8Very low131 Ų131128.8 Ų128.870%0.70173%0.729SS**  cis-147157.9-1.7-146.829.9000109.6
522P44.4Very low32.9Very low99 Ų99129 Ų12964%0.64374%0.736SS**  trans-106-138-175.441.9-33.1000111.6
523T34.5Very low33.1Very low119 Ų119125.7 Ų125.773%0.7373%0.733SS**  trans87.7141.5170.976.90000115.7
524V35.6Very low33.5Very low116 Ų116126.1 Ų126.170%0.70374%0.742SS**  cis-152.3157.7-10.5112.50000112
525N31.6Very low33.8Very low149 Ų149127.5 Ų127.580%0.79775%0.751SS**  trans-5.5141.8162.6-40.1-26.4000119.9
526G33Very low34.1Very low72 Ų72127.4 Ų127.474%0.74276%0.76SS**  126.5118.2107.900000119.5
527A33.9Very low34.5Very low102 Ų102124.3 Ų124.384%0.84375%0.754SS**  trans67.2166143.300000118.3
528P42.4Very low34.9Very low122 Ų122125.9 Ų125.979%0.79276%0.755SS**  trans-104.1-175.5-165.440.6-35.6000114.4
529N31.2Very low35Very low143 Ų143127.2 Ų127.277%0.76576%0.757SS**  trans103138.7155-120.3-15.6000118.7
530L32.8Very low35.2Very low138 Ų138123.7 Ų123.772%0.72375%0.753SS**  trans70.1114.3155.2-63.4168.9000122.2
531N29.9Very low35.1Very low133 Ų133122.7 Ų122.771%0.71175%0.75SS**  90.6136.3125.1-100.6-13.2000124.5
532T33.2Very low35.3Very low133 Ų133123.2 Ų123.282%0.81675%0.753SS**  trans68.4138.1145.349.50000121.6
533G35.1Very low34.7Very low67 Ų67126.5 Ų126.569%0.69176%0.764SS**  trans149.546.2178.800000113.3
534L35.2Very low34.7Very low162 Ų162124.1 Ų124.185%0.84876%0.763SS**  70.8109.5101.1-86.5166.2000115.8
535L37.4Very low34.6Very low165 Ų165125.2 Ų125.286%0.86477%0.77SS**  -178.8113.7123.2-98.2164.1000112.4
536S36.7Very low35.1Very low118 Ų118123.2 Ų123.283%0.82577%0.765SS**  trans53.8133.9144.1-154.40000121.7
537A37.9Very low35.2Very low73 Ų73126.7 Ų126.760%0.60377%0.772SS**  cis-168166.7-16.300000109.8
538N35.9Very low35.2Very low144 Ų144129.4 Ų129.477%0.7777%0.771SS**  trans68.9121.9175.5-52.7-20.3000115
539Q36.6Very low34.9Very low168 Ų168129.4 Ų129.479%0.78577%0.771SS**  69133.756.6-65-1670.300113.1
540I34.2Very low35Very low136 Ų136128 Ų12870%0.69777%0.772SS**  cis-156147.56.3-121.3162.2000110.5
541A35Very low35.6Very low86 Ų86126.7 Ų126.771%0.71177%0.772SS**  trans24.4-179.7151.200000122.6
542L34.3Very low35.9Very low143 Ų143127.6 Ų127.675%0.74978%0.777SS**  cis-163.4136.84.3-166.171.7000109.9
543L33.3Very low36Very low168 Ų168126.9 Ų126.988%0.8877%0.773SS**  trans55.2153.4162-67.2161.2000119.2
544G34.5Very low36.1Very low69 Ų69132.9 Ų132.971%0.71178%0.78SS**  cis-168.8-175.31.300000112.9
545T33.5Very low36Very low139 Ų139132.6 Ų132.685%0.85378%0.778SS**  trans-120.9-170.3-168.851.50000112.1
546P41.2Very low35.9Very low106 Ų106134 Ų13469%0.68878%0.777SS**  -130.3-175.2-51.236.2-19.7000112.7
547T35.1Very low35.7Very low145 Ų145134.9 Ų134.989%0.8977%0.773SS**  trans-177163.8139.4180000114.4
548I33.7Very low35.6Very low159 Ų159137 Ų13782%0.81578%0.781SS**  trans-148.1137.9-169.2-77.5174.7000107.6
549P36.7Very low35.5Very low123 Ų123134.9 Ų134.980%0.79978%0.777SS**  -154.4-178.989.540.3-18.3000118.5
550S32.1Very low35.4Very low112 Ų112134.5 Ų134.578%0.78378%0.78SS**  trans-129.9-161.6176.3-42.80000108.8
551P45.5Very low35.4Very low112 Ų112138.9 Ų138.973%0.72779%0.789SS**  cis-134.5-174.9-14.142.6-25.6000113.9
552D36.1Very low35.3Very low151 Ų151138.3 Ų138.381%0.80779%0.792SS**  -178.6168.6114.8-117.6-35.5000114.2
553T35.2Very low35.1Very low119 Ų119137.7 Ų137.773%0.7380%0.798SS**  trans-146.3160.4-164.957.40000117.1
554K38Very low35.2Very low193 Ų193135 Ų13584%0.83979%0.794SS**  trans157.3152.7150.8-88.3155.2-171.7170.80110.9
555L34.1Very low35.3Very low155 Ų155139.8 Ų139.881%0.81280%0.802SS**  cis-154.8170.9-8.6-128.9163.5000109.3
556F34.5Very low35.3Very low194 Ų194144.3 Ų144.385%0.85181%0.805SS**  trans-120165.4-175-103.9-95000112.8
557D31.5Very low35.1Very low138 Ų138142.5 Ų142.574%0.73881%0.806SS**  trans-131.6120.3161.3-176.93.7000110.1
558P36.7Very low35Very low118 Ų118140.8 Ų140.877%0.76680%0.795SS**  trans-122.910717635.9-20.1000113.1
559S33Very low35.2Very low99 Ų99137.3 Ų137.369%0.69278%0.778SS**  trans-133.296.6169.349.70000112.4
560L34.8Very low35.3Very low159 Ų159140.5 Ų140.583%0.83278%0.775SS**  trans175.7158.1155.8-98.9158.4000110.1
561Y33.9Very low35.7Very low228 Ų228144.6 Ų144.689%0.89478%0.78SS**  trans66.1114.4179.8-63.3-81.1000118
562G33.8Very low35.6Very low75 Ų75150.9 Ų150.977%0.77379%0.789SS**  trans-154.9113.4165.900000111.6
563C30.1Very low35.8Very low130 Ų130147.9 Ų147.988%0.87878%0.778SS**  trans-147.3111.4177.4-84.80000111.2
564S34.8Very low36.3Very low112 Ų112149.7 Ų149.778%0.78378%0.778SS**  trans-173.7132.5162.4-84.90000107.6
565L36.9Very low36.9Very low168 Ų168147.8 Ų147.888%0.8877%0.772SS**  79.1152.469.8-83.9164.8000114.2
566Y34.3Very low37.8Very low234 Ų234147.2 Ų147.292%0.91877%0.765SS**  trans-107.4142.6-145.8-109.1-102.4000115.5
567G35.6Very low38.5Very low69 Ų69141.4 Ų141.471%0.71175%0.748SS**  trans83.7150.7161.400000115.5
568T34.1Very low39.9Very low108 Ų108140.3 Ų140.366%0.66374%0.739SS**  cis-145.6158.1-6.3540000109.3
569D37.2Very low41.3Very low87 Ų87140.8 Ų140.847%0.46573%0.731SS.*  169150.9129.3-90.86.5000118.1H770D569-H770 IonicContact OD2-CD2 2.63Å; D569-H770 PolarHBondContact OD2-CD2 3.47Å; D569-H770 IonicContact OD2-CG 2.73Å
570Y39.8Very low43.2Very low189 Ų189142 Ų14274%0.74173%0.725SS**  trans34.9100.3158.7-62.3-70.1000124.8
571F39.6Very low45.1Very low198 Ų198136.8 Ų136.887%0.86871%0.705SS**  53.190.5110.1-117.5-91.7000120.6
572R44.3Very low47.2Very low244 Ų244132.2 Ų132.292%0.92169%0.692SS**  trans-162.6149.8155-146.1175.7167.6174.2-5.5112.9
573P40.5Very low49.5Very low88 Ų88133.9 Ų133.957%0.57168%0.68SS**  -84.8155.2-84.937.8-24.6000113.8Q575P573-Q575 PolarHBondContact O-N 2.98Å
574Q45.2Very low51.7Low157 Ų157133 Ų13373%0.73466%0.663SS**THydrogen-bonded Turntrans-71.313-170.1-151.5175.613.100116.3S577 H578Q574-S577 PolarHBondContact O-OG 3.45Å; Q574-H578 PolarHBondContact O-ND1 3.46Å
575Q49.8Very low53.9Low153 Ų153133.4 Ų133.472%0.71565%0.652SS**Hα-helixtrans-97.9-33.8-165.5-139.9170.610.900114P573P573-Q575 PolarHBondContact O-N 2.98Å
576Q52.8Low56.1Low143 Ų143131.9 Ų131.967%0.66864%0.641SS**Hα-helixtrans-74.5-30.2179.5-81.9-179.9-39.700113.5H578 Q579 H580Q576-H578 VanDerWaalsContact C-N 3.34Å; Q576-Q579 PolarHBondContact O-N 3.48Å; Q576-H580 PolarHBondContact O-N 3.31Å; Q576-H580 VanDerWaalsContact O-N 3.15Å
577S49.5Very low58.4Low72 Ų72126.2 Ų126.250%0.50362%0.623SS.*Hα-helixtrans-65.2-37.3174.950.60000112.2Q574 H580 A581Q574-S577 PolarHBondContact O-OG 3.45Å; S577-H580 PolarHBondContact O-N 3Å; S577-A581 WeakPolarHBondContact O-CB 3.48Å; S577-A581 PolarHBondContact O-N 3.38Å
578H61.4Low60.7Low115 Ų115129 Ų12953%0.53262%0.617SS.*Hα-helixtrans-65-39.3175.2-78.894.8000112.6Q574 Q576 A581 Q582Q574-H578 PolarHBondContact O-ND1 3.46Å; Q576-H578 VanDerWaalsContact C-N 3.34Å; H578-A581 PolarHBondContact O-N 2.93Å; H578-Q582 PolarHBondContact O-N 3.49Å
579Q66.4Low63Low128 Ų128129.9 Ų129.960%0.59861%0.614SS**Hα-helixtrans-64.5-46175.1-72.7-177.1-25.700111.8Q576 A581 Q582 Q583Q576-Q579 PolarHBondContact O-N 3.48Å; Q579-A581 VanDerWaalsContact C-N 3.33Å; Q579-A581 PolarHBondContact O-N 3.29Å; Q579-Q582 PolarHBondContact O-N 3.39Å; Q579-Q583 WeakPolarHBondContact O-CB 3.41Å; Q579-Q583 PolarHBondContact O-N 3.12Å
580H72.8Confident65.2Low124 Ų124128.9 Ų128.957%0.57461%0.613SS**Hα-helixtrans-62.1-39.2175.8-109.887.9000112.5Q576 S577 Q583 Q584Q576-H580 PolarHBondContact O-N 3.31Å; Q576-H580 VanDerWaalsContact O-N 3.15Å; S577-H580 PolarHBondContact O-N 3Å; H580-Q583 PolarHBondContact O-N 3.02Å; H580-Q584 PolarHBondContact O-N 3.19Å
581A74.5Confident67.4Low51 Ų51125.9 Ų125.942%0.42161%0.606SS.*Hα-helixtrans-66-43.1176.600000112.6S577 H578 Q579 Q584 Q585S577-A581 WeakPolarHBondContact O-CB 3.48Å; S577-A581 PolarHBondContact O-N 3.38Å; H578-A581 PolarHBondContact O-N 2.93Å; Q579-A581 VanDerWaalsContact C-N 3.33Å; Q579-A581 PolarHBondContact O-N 3.29Å; A581-Q584 PolarHBondContact O-N 3.3Å; A581-Q585 PolarHBondContact O-N 2.96Å
582Q78.7Confident69.5Low131 Ų131122 Ų12261%0.61259%0.591SS**Hα-helixtrans-63.1-40.7174-78.8-175.1-28.800112H578 Q579 Q585 Q586H578-Q582 PolarHBondContact O-N 3.49Å; Q579-Q582 PolarHBondContact O-N 3.39Å; Q582-Q585 PolarHBondContact O-N 2.9Å; Q582-Q586 PolarHBondContact O-N 2.75Å
583Q80.7Confident71.4Confident111 Ų111116.6 Ų116.652%0.51958%0.576SS.*Hα-helixtrans-66.8-38.3179.6-160.7168.448.600111.8Q579 H580 Q586 Q587Q579-Q583 WeakPolarHBondContact O-CB 3.41Å; Q579-Q583 PolarHBondContact O-N 3.12Å; H580-Q583 PolarHBondContact O-N 3.02Å; Q583-Q586 PolarHBondContact O-N 2.79Å; Q583-Q587 WeakPolarHBondContact O-CG 3.5Å; Q583-Q587 PolarHBondContact O-N 3.48Å; Q583-Q587 VanDerWaalsContact O-N 3.1Å
584Q77.6Confident73.5Confident112 Ų112115 Ų11552%0.52357%0.567SS.*Hα-helixtrans-66.7-39.1170.9-74-173.30.200112.7H580 A581 Q587 Q588H580-Q584 PolarHBondContact O-N 3.19Å; A581-Q584 PolarHBondContact O-N 3.3Å; Q584-Q587 PolarHBondContact O-N 2.72Å; Q584-Q588 WeakPolarHBondContact O-CG 3.36Å; Q584-Q588 PolarHBondContact O-N 3.23Å
585Q81Confident75.5Confident120 Ų120112.7 Ų112.756%0.56156%0.556SS**Hα-helixtrans-62.8-41.3174.4-80.3-170.7-15.400112.2A581 Q582 Q587 Q588 Q589A581-Q585 PolarHBondContact O-N 2.96Å; Q582-Q585 PolarHBondContact O-N 2.9Å; Q585-Q587 PolarHBondContact O-N 3.17Å; Q585-Q588 PolarHBondContact O-N 3.3Å; Q585-Q589 WeakPolarHBondContact O-CG 3.4Å; Q585-Q589 PolarHBondContact O-N 2.83Å
586Q82.2Confident77.2Confident135 Ų135112.2 Ų112.263%0.63155%0.551SS**Hα-helixtrans-62.9-40.5174.8-76.6-174.5-16.700112.4Q582 Q583 Q588 Q589 S590Q582-Q586 PolarHBondContact O-N 2.75Å; Q583-Q586 PolarHBondContact O-N 2.79Å; Q586-Q588 VanDerWaalsContact C-N 3.35Å; Q586-Q588 PolarHBondContact O-N 3.45Å; Q586-Q589 PolarHBondContact O-N 3.01Å; Q586-S590 PolarHBondContact O-N 2.87Å; Q586-S590 PolarHBondContact O-OG 2.8Å
587Q83Confident78.7Confident116 Ų116111.5 Ų111.554%0.54255%0.548SS..Hα-helixtrans-66-33.5175.5-73.3-178.9-0.900113.4Q583 Q584 Q585 S590 H591Q583-Q587 WeakPolarHBondContact O-CG 3.5Å; Q583-Q587 PolarHBondContact O-N 3.48Å; Q583-Q587 VanDerWaalsContact O-N 3.1Å; Q584-Q587 PolarHBondContact O-N 2.72Å; Q585-Q587 PolarHBondContact O-N 3.17Å; Q587-S590 PolarHBondContact O-OG 3.01Å; Q587-S590 VanDerWaalsContact O-OG 3.12Å; Q587-H591 PolarHBondContact O-N 3.13Å; Q587-H591 PolarHBondContact O-ND1 2.91Å
588Q83Confident80.3Confident126 Ų126114.4 Ų114.459%0.58955%0.554SS**Hα-helixtrans-73.3-38.9174.4-71178.319.800112.1Q584 Q585 Q586 H591 Q592Q584-Q588 WeakPolarHBondContact O-CG 3.36Å; Q584-Q588 PolarHBondContact O-N 3.23Å; Q585-Q588 PolarHBondContact O-N 3.3Å; Q586-Q588 VanDerWaalsContact C-N 3.35Å; Q586-Q588 PolarHBondContact O-N 3.45Å; Q588-H591 PolarHBondContact O-N 2.9Å; Q588-Q592 PolarHBondContact O-N 3.08Å
589Q83.5Confident81.4Confident127 Ų127115.4 Ų115.459%0.59356%0.559SS**Hα-helixtrans-65.2-43.3175.6-73.5177.89.500111.8Q585 Q586 H591 Q592 Q593Q585-Q589 WeakPolarHBondContact O-CG 3.4Å; Q585-Q589 PolarHBondContact O-N 2.83Å; Q586-Q589 PolarHBondContact O-N 3.01Å; Q589-H591 PolarHBondContact O-N 3.16Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.21Å
590S82.1Confident82.2Confident66 Ų66115.2 Ų115.246%0.46256%0.557SS.*Hα-helixtrans-65.6-37.6176.765.80000112.5Q586 Q587 Q593 S594Q586-S590 PolarHBondContact O-N 2.87Å; Q586-S590 PolarHBondContact O-OG 2.8Å; Q587-S590 PolarHBondContact O-OG 3.01Å; Q587-S590 VanDerWaalsContact O-OG 3.12Å; S590-Q593 PolarHBondContact O-N 2.9Å; S590-S594 WeakPolarHBondContact O-CB 3.43Å; S590-S594 PolarHBondContact O-N 2.77Å
591H86.1Confident82.7Confident126 Ų126115.4 Ų115.458%0.58356%0.562SS**Hα-helixtrans-63-45.5171.6-88.880.4000112.7Q587 Q588 Q589 Q593 S594 Q595Q587-H591 PolarHBondContact O-N 3.13Å; Q587-H591 PolarHBondContact O-ND1 2.91Å; Q588-H591 PolarHBondContact O-N 2.9Å; Q589-H591 PolarHBondContact O-N 3.16Å; H591-Q593 VanDerWaalsContact C-N 3.33Å; H591-Q593 PolarHBondContact O-N 3.4Å; H591-S594 PolarHBondContact O-N 2.95Å; H591-Q595 WeakPolarHBondContact O-CB 3.28Å; H591-Q595 WeakPolarHBondContact O-CG 3.35Å; H591-Q595 PolarHBondContact O-N 2.91Å
592Q84.2Confident83.1Confident118 Ų118118.1 Ų118.155%0.55157%0.569SS**Hα-helixtrans-63.9-37.5175.6-77-165.312.600112.4Q588 Q589 Q595 K596Q588-Q592 PolarHBondContact O-N 3.08Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q592-Q595 PolarHBondContact O-N 3.09Å; Q592-K596 WeakPolarHBondContact O-CB 3.28Å; Q592-K596 WeakPolarHBondContact O-CG 3.42Å; Q592-K596 PolarHBondContact O-N 3.15Å
593Q85.2Confident83.2Confident129 Ų129114.4 Ų114.460%0.60356%0.557SS**Hα-helixtrans-69.6-39178.5-167.71675.300111.6Q589 S590 H591 K596 Q597Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.21Å; S590-Q593 PolarHBondContact O-N 2.9Å; H591-Q593 VanDerWaalsContact C-N 3.33Å; H591-Q593 PolarHBondContact O-N 3.4Å; Q593-K596 PolarHBondContact O-N 3.44Å; Q593-Q597 WeakPolarHBondContact O-CB 3.3Å; Q593-Q597 WeakPolarHBondContact O-CG 3.41Å; Q593-Q597 PolarHBondContact O-N 2.81Å
594S84.3Confident83.2Confident55 Ų55112.8 Ų112.839%0.38556%0.555SS.*Hα-helixtrans-62.5-46.8171.5-177.30000111.9S590 H591 K596 Q597 Q598S590-S594 WeakPolarHBondContact O-CB 3.43Å; S590-S594 PolarHBondContact O-N 2.77Å; H591-S594 PolarHBondContact O-N 2.95Å; S594-K596 PolarHBondContact O-N 3.43Å; S594-Q597 PolarHBondContact O-N 2.87Å; S594-Q598 PolarHBondContact O-N 3.37Å
595Q86.7Confident83.1Confident109 Ų109109.3 Ų109.351%0.50955%0.546SS..Hα-helixtrans-62.4-39.5175.4-74.9-177.3-300112.6H591 Q592 Q598 Q599H591-Q595 WeakPolarHBondContact O-CB 3.28Å; H591-Q595 WeakPolarHBondContact O-CG 3.35Å; H591-Q595 PolarHBondContact O-N 2.91Å; Q592-Q595 PolarHBondContact O-N 3.09Å; Q595-Q598 PolarHBondContact O-N 3.19Å; Q595-Q599 WeakPolarHBondContact O-CB 3.17Å; Q595-Q599 WeakPolarHBondContact O-CG 3.12Å; Q595-Q599 PolarHBondContact O-N 2.7Å
596K85.1Confident82.8Confident142 Ų142108.7 Ų108.762%0.61754%0.544SS*.Hα-helixtrans-65.8-38.8173.7-78-179.8178.3179.30112.2Q592 Q593 S594 H600Q592-K596 WeakPolarHBondContact O-CB 3.28Å; Q592-K596 WeakPolarHBondContact O-CG 3.42Å; Q592-K596 PolarHBondContact O-N 3.15Å; Q593-K596 PolarHBondContact O-N 3.44Å; S594-K596 PolarHBondContact O-N 3.43Å; K596-H600 VanDerWaalsContact O-CB 3.31Å; K596-H600 WeakPolarHBondContact O-CB 3.19Å; K596-H600 PolarHBondContact O-N 3.24Å
597Q84.8Confident82.2Confident128 Ų128105.3 Ų105.360%0.59854%0.539SS*.Hα-helixtrans-64.2-45.5172.6-80-176.5-20.900111.2Q593 S594 H600 L601Q593-Q597 WeakPolarHBondContact O-CB 3.3Å; Q593-Q597 WeakPolarHBondContact O-CG 3.41Å; Q593-Q597 PolarHBondContact O-N 2.81Å; S594-Q597 PolarHBondContact O-N 2.87Å; Q597-H600 PolarHBondContact O-N 2.95Å; Q597-L601 VanDerWaalsContact O-CB 3.32Å; Q597-L601 WeakPolarHBondContact O-CB 3.48Å; Q597-L601 PolarHBondContact O-N 2.88Å
598Q83.9Confident81.1Confident133 Ų133102.9 Ų102.962%0.62154%0.539SS*.Hα-helixtrans-61.1-45.2175.8-74.3-175.8-15.600112.5S594 Q595 H600 L601 L602S594-Q598 PolarHBondContact O-N 3.37Å; Q595-Q598 PolarHBondContact O-N 3.19Å; Q598-H600 VanDerWaalsContact C-N 3.34Å; Q598-H600 PolarHBondContact O-N 3.44Å; Q598-L601 PolarHBondContact O-N 3.36Å; Q598-L602 VanDerWaalsContact O-CB 3.31Å; Q598-L602 WeakPolarHBondContact O-CB 3.33Å; Q598-L602 PolarHBondContact O-N 3.43Å
599Q83.2Confident79.8Confident136 Ų136104.2 Ų104.264%0.63655%0.547SS*.Hα-helixtrans-62.9-39.3174.7-73.7-178.527.900112.1Q595 S603Q595-Q599 WeakPolarHBondContact O-CB 3.17Å; Q595-Q599 WeakPolarHBondContact O-CG 3.12Å; Q595-Q599 PolarHBondContact O-N 2.7Å; Q599-S603 WeakPolarHBondContact O-CB 3.49Å; Q599-S603 PolarHBondContact O-N 2.95Å; Q599-S603 PolarHBondContact O-OG 3.41Å
600H84.2Confident78.6Confident124 Ų124102 Ų10257%0.57455%0.55SS**Hα-helixtrans-67.5-44.4176.6-17241.5000111.6K596 Q597 Q598 L602 S603 V604K596-H600 VanDerWaalsContact O-CB 3.31Å; K596-H600 WeakPolarHBondContact O-CB 3.19Å; K596-H600 PolarHBondContact O-N 3.24Å; Q597-H600 PolarHBondContact O-N 2.95Å; Q598-H600 VanDerWaalsContact C-N 3.34Å; Q598-H600 PolarHBondContact O-N 3.44Å; H600-L602 VanDerWaalsContact C-N 3.32Å; H600-L602 PolarHBondContact O-N 3.41Å; H600-S603 WeakPolarHBondContact CA-OG 3.2Å; H600-S603 PolarHBondContact ND1-OG 3.15Å; H600-S603 CarbonylContact O-C 3.36Å; H600-S603 PolarHBondContact O-N 2.95Å; H600-S603 VanDerWaalsContact O-N 3.09Å; H600-S603 PolarHBondContact O-OG 2.81Å; H600-V604 WeakPolarHBondContact O-CG2 3.45Å; H600-V604 PolarHBondContact O-N 2.73Å
601L82Confident77Confident128 Ų128103.9 Ų103.967%0.6756%0.555SS**Hα-helixtrans-63.4-38.3177.9-140.8153.9000111.1Q597 Q598 V604 A605Q597-L601 VanDerWaalsContact O-CB 3.32Å; Q597-L601 WeakPolarHBondContact O-CB 3.48Å; Q597-L601 PolarHBondContact O-N 2.88Å; Q598-L601 PolarHBondContact O-N 3.36Å; L601-V604 PolarHBondContact O-N 2.67Å; L601-A605 VanDerWaalsContact O-CB 3.31Å; L601-A605 WeakPolarHBondContact O-CB 3.47Å; L601-A605 PolarHBondContact O-N 3Å
602L84.4Confident75.3Confident108 Ų108103.5 Ų103.557%0.56556%0.564SS**Hα-helixtrans-65.5-41.1171.1-166.970.7000111.9Q598 H600 A605 M606Q598-L602 VanDerWaalsContact O-CB 3.31Å; Q598-L602 WeakPolarHBondContact O-CB 3.33Å; Q598-L602 PolarHBondContact O-N 3.43Å; H600-L602 VanDerWaalsContact C-N 3.32Å; H600-L602 PolarHBondContact O-N 3.41Å; L602-A605 PolarHBondContact O-N 3.1Å; L602-M606 HydrophobicContact CG-CE 4.17Å; L602-M606 WeakPolarHBondContact O-CB 3.38Å; L602-M606 WeakPolarHBondContact O-CG 3.34Å; L602-M606 PolarHBondContact O-N 3.44Å
603S80.7Confident73.5Confident53 Ų53101.3 Ų101.337%0.37157%0.566SS.*Hα-helixtrans-65.4-37.917675.10000112.7Q599 H600 A607Q599-S603 WeakPolarHBondContact O-CB 3.49Å; Q599-S603 PolarHBondContact O-N 2.95Å; Q599-S603 PolarHBondContact O-OG 3.41Å; H600-S603 WeakPolarHBondContact CA-OG 3.2Å; H600-S603 PolarHBondContact ND1-OG 3.15Å; H600-S603 CarbonylContact O-C 3.36Å; H600-S603 PolarHBondContact O-N 2.95Å; H600-S603 VanDerWaalsContact O-N 3.09Å; H600-S603 PolarHBondContact O-OG 2.81Å; S603-A607 VanDerWaalsContact O-CB 3.3Å; S603-A607 WeakPolarHBondContact O-CB 3.47Å; S603-A607 PolarHBondContact O-N 3.08Å
604V79.9Confident71.5Confident77 Ų77103.3 Ų103.347%0.46758%0.58SS.*Hα-helixtrans-72.1-38.6176.4171.40000110.5H600 L601 A607 A608H600-V604 WeakPolarHBondContact O-CG2 3.45Å; H600-V604 PolarHBondContact O-N 2.73Å; L601-V604 PolarHBondContact O-N 2.67Å; V604-A607 PolarHBondContact O-N 3.25Å; V604-A608 VanDerWaalsContact O-CB 3.27Å; V604-A608 WeakPolarHBondContact O-CB 3.4Å; V604-A608 PolarHBondContact O-N 2.66Å
605A74.7Confident69.1Low40 Ų40109.6 Ų109.633%0.33160%0.603SS.*Hα-helixtrans-62.3-45.9172.300000111.6L601 L602 A608 M609L601-A605 VanDerWaalsContact O-CB 3.31Å; L601-A605 WeakPolarHBondContact O-CB 3.47Å; L601-A605 PolarHBondContact O-N 3Å; L602-A605 PolarHBondContact O-N 3.1Å; A605-A608 PolarHBondContact O-N 3.45Å; A605-M609 WeakPolarHBondContact O-CB 3.45Å; A605-M609 WeakPolarHBondContact O-CG 3.32Å; A605-M609 PolarHBondContact O-N 3.27Å
606M75.8Confident66.8Low107 Ų107108 Ų10853%0.52762%0.616SS.*Hα-helixtrans-64.2-39.7175.4-70.6-174.2-62.500112.3L602 M609 A610L602-M606 HydrophobicContact CG-CE 4.17Å; L602-M606 WeakPolarHBondContact O-CB 3.38Å; L602-M606 WeakPolarHBondContact O-CG 3.34Å; L602-M606 PolarHBondContact O-N 3.44Å; M606-M609 HydrophobicContact CG-CE 4.14Å; M606-M609 PolarHBondContact O-N 3.45Å; M606-A610 WeakPolarHBondContact O-CB 3.39Å; M606-A610 PolarHBondContact O-N 3.02Å
607A69Low64.4Low64 Ų64106.7 Ų106.753%0.52962%0.623SS.*Hα-helixtrans-67.3-35174.900000112.9S603 V604 A610 N611S603-A607 VanDerWaalsContact O-CB 3.3Å; S603-A607 WeakPolarHBondContact O-CB 3.47Å; S603-A607 PolarHBondContact O-N 3.08Å; V604-A607 PolarHBondContact O-N 3.25Å; A607-A610 PolarHBondContact O-N 3.44Å; A607-N611 PolarHBondContact O-N 3.04Å
608A61.1Low62.2Low65 Ų65107.2 Ų107.254%0.53764%0.635SS.*Hα-helixtrans-69.7-41.2174.400000111.9V604 A605 A610 N611V604-A608 VanDerWaalsContact O-CB 3.27Å; V604-A608 WeakPolarHBondContact O-CB 3.4Å; V604-A608 PolarHBondContact O-N 2.66Å; A605-A608 PolarHBondContact O-N 3.45Å; A608-A610 PolarHBondContact O-N 3.37Å; A608-N611 PolarHBondContact O-N 3.49Å
609M55.4Low60Low154 Ų154110.5 Ų110.576%0.75964%0.643SS**Hα-helixtrans-66.5-22.1172.7-69.7-174.7-64.200113A605 M606A605-M609 WeakPolarHBondContact O-CB 3.45Å; A605-M609 WeakPolarHBondContact O-CG 3.32Å; A605-M609 PolarHBondContact O-N 3.27Å; M606-M609 HydrophobicContact CG-CE 4.14Å; M606-M609 PolarHBondContact O-N 3.45Å
610A57.1Low57.9Low80 Ų80109.3 Ų109.366%0.66165%0.647SS**THydrogen-bonded Turntrans-86.42.2174.600000114.2M606 A607 A608 P612M606-A610 WeakPolarHBondContact O-CB 3.39Å; M606-A610 PolarHBondContact O-N 3.02Å; A607-A610 PolarHBondContact O-N 3.44Å; A608-A610 PolarHBondContact O-N 3.37Å; A610-P612 WeakPolarHBondContact O-CD 3.49Å
611N48.5Very low55.9Low105 Ų105109.5 Ų109.556%0.56166%0.657SS**  trans-100.7108.9-177.4-169.2-4.4000111.4A607 A608 A613A607-N611 PolarHBondContact O-N 3.04Å; A608-N611 PolarHBondContact O-N 3.49Å; N611-A613 PolarHBondContact O-N 3.19Å
612P50.7Low53.8Low119 Ų119110.8 Ų110.877%0.77367%0.67SS**THydrogen-bonded Turntrans-75.721.9-170.532.8-37.9000114.9A610A610-P612 WeakPolarHBondContact O-CD 3.49Å
613A47.2Very low51.7Low71 Ų71109.2 Ų109.259%0.58767%0.673SS**THydrogen-bonded Turntrans-104.23-166.500000115.8N611N611-A613 PolarHBondContact O-N 3.19Å
614L42.4Very low49.5Very low171 Ų171113 Ų11390%0.89569%0.689SS**  trans-129.653.8177.7-74.2177.1000113.2G616L614-G616 PolarHBondContact O-N 2.85Å
615Q34.6Very low47.5Very low188 Ų188115.5 Ų115.588%0.87970%0.699SS**  trans-75.4114.4158.8-66.5177.4-17.600108.6
616G37.5Very low45.6Very low75 Ų75120.5 Ų120.577%0.77372%0.721SS**  trans160.5-7.7172.800000119.9L614L614-G616 PolarHBondContact O-N 2.85Å
617C34.7Very low44Very low115 Ų115121 Ų12178%0.77773%0.73SS**  trans-117.6114.8-178.3-63.30000112.5Y619C617-Y619 HydrophobicContact CB-CE2 4.42Å
618V38.2Very low42.4Very low138 Ų138122.4 Ų122.484%0.83673%0.732SS**  trans-78.4132.4174.5178.50000109.8
619Y37.9Very low41.1Very low202 Ų202127 Ų12779%0.79274%0.74SS**  trans-131148.2163.9-83.2-80.1000110.3C617C617-Y619 HydrophobicContact CB-CE2 4.42Å
620P40.3Very low40.2Very low111 Ų111125.2 Ų125.272%0.72173%0.733SS**  trans-80.4166.4-160.132-36.7000114.4
621T40.9Very low39.2Very low128 Ų128124.4 Ų124.479%0.78573%0.727SS**  trans-67.9162.817844.40000113.1A623T621-A623 PolarHBondContact O-N 3.33Å
622T37.8Very low38.7Very low155 Ų155124 Ų12495%0.95173%0.728SS**THydrogen-bonded Turntrans-68.590.8-174.449.70000113.1
623A40.7Very low37.8Very low75 Ų75127 Ų12762%0.6273%0.725SS**THydrogen-bonded Turntrans-133-43.1172.600000113.9T621 L625T621-A623 PolarHBondContact O-N 3.33Å; A623-L625 PolarHBondContact O-N 3.49Å
624D35.9Very low37.5Very low133 Ų133130.7 Ų130.771%0.71173%0.73SS**THydrogen-bonded Turntrans-96.316.5-162.4-71.6-61.6000117.3
625L36.8Very low37.2Very low130 Ų130128.5 Ų128.568%0.68172%0.719SS**THydrogen-bonded Turntrans-100.3-5.3-176.5-80.8169.1000115.9A623 T627A623-L625 PolarHBondContact O-N 3.49Å; L625-T627 VanDerWaalsContact C-N 3.27Å; L625-T627 PolarHBondContact O-N 2.88Å
626N35.5Very low37.2Very low145 Ų145127.5 Ų127.578%0.77571%0.712SS**THydrogen-bonded Turntrans-77.8-7.5-176.5-155.319.4000114.3
627T40.9Very low37.2Very low118 Ų118131.3 Ų131.372%0.72471%0.714SS**THydrogen-bonded Turntrans-104-17.5-178.838.60000114.2L625L625-T627 VanDerWaalsContact C-N 3.27Å; L625-T627 PolarHBondContact O-N 2.88Å
628T35.5Very low37.1Very low92 Ų92133 Ų13356%0.56472%0.715SS**THydrogen-bonded Turntrans-93.9-33.8-179-55.40000112.8N630T628-N630 VanDerWaalsContact C-N 3.28Å; T628-N630 PolarHBondContact O-N 3.43Å
629F33.8Very low36.8Very low162 Ų162130.3 Ų130.371%0.71170%0.703SS**Hα-helixtrans-68.5-23.9-177.4-112.2-93.6000114.2
630N36.7Very low36.7Very low117 Ų117129.6 Ų129.663%0.62671%0.706SS**Hα-helixtrans-81.4-14.2-175.2-134.2-9.2000113.7T628T628-N630 VanDerWaalsContact C-N 3.28Å; T628-N630 PolarHBondContact O-N 3.43Å
631A35.8Very low36.3Very low63 Ų63131.7 Ų131.752%0.52171%0.712SS.*Hα-helixtrans-80.9-29.6179.800000113.7N635A631-N635 PolarHBondContact O-ND2 3.31Å
632T38.2Very low35.8Very low95 Ų95131.2 Ų131.258%0.58371%0.713SS**Hα-helixtrans-85.5-34.3-174.7-490000112.4H634 N635T632-H634 VanDerWaalsContact C-N 3.35Å; T632-H634 PolarHBondContact O-N 3.01Å; T632-N635 PolarHBondContact O-N 3.42Å
633Y32.7Very low35.5Very low182 Ų182130.4 Ų130.471%0.71471%0.709SS**Hα-helixtrans-71.4-26.8-173.4-130.9-94.3000113.8N635Y633-N635 VanDerWaalsContact C-N 3.34Å; Y633-N635 PolarHBondContact O-N 3.4Å
634H40.8Very low35.1Very low149 Ų149132.7 Ų132.769%0.6972%0.715SS**THydrogen-bonded Turntrans-78.8-11.3179.7-111.3-75000114.9T632T632-H634 VanDerWaalsContact C-N 3.35Å; T632-H634 PolarHBondContact O-N 3.01Å
635N36.6Very low34.9Very low125 Ų125133.7 Ų133.767%0.66872%0.719SS**THydrogen-bonded Turntrans-94.4-12.1-179.2-79.2-68.7000114.1A631 T632 Y633A631-N635 PolarHBondContact O-ND2 3.31Å; T632-N635 PolarHBondContact O-N 3.42Å; Y633-N635 VanDerWaalsContact C-N 3.34Å; Y633-N635 PolarHBondContact O-N 3.4Å
636F33.4Very low34.8Very low168 Ų168132.7 Ų132.774%0.73772%0.72SS**SBendtrans-93.50.6-174.8-110.7-85.5000115.6
637L38.6Very low34.6Very low154 Ų154133 Ų13381%0.80672%0.72SS**SBendtrans-114.55.9179.9-69.3174.3000114.3
638N33Very low34.1Very low150 Ų150136.4 Ų136.480%0.80273%0.728SS**SBendtrans-116.914.6-175.1-103.3-13.7000114.4
639S30.9Very low33.8Very low83 Ų83137 Ų13758%0.5873%0.731SS**  trans-10517.9-17050.90000115.6
640H36.6Very low33.8Very low186 Ų186136.2 Ų136.286%0.86173%0.734SS**SBendtrans-131.152.8177.3-86-60.5000114.1
641N31.5Very low33.7Very low156 Ų156135.8 Ų135.883%0.83474%0.738SS**  trans-157.2117.2152.9-125.7-22.8000112.7
642S30Very low33.5Very low117 Ų117140.4 Ų140.482%0.81875%0.752SS**  trans-169.6100.4169.4-84.30000111.9
643T32.1Very low33.3Very low139 Ų139138.8 Ų138.885%0.85376%0.755SS**  trans-156.5118.4139.3-72.40000108.6
644T31.7Very low33.4Very low122 Ų122137 Ų13775%0.74876%0.757SS**  trans-63.4165.8-175.4-46.10000114.6
645I32.6Very low32.8Very low155 Ų155134.4 Ų134.480%0.79576%0.755SS**  trans148.6127.8133.5-76.3154.1000112
646P34.6Very low32.8Very low108 Ų108135.6 Ų135.670%0.70176%0.761SS**  cis-138.1177.6-37.542.7-24.4000114.9
647I30.6Very low32.9Very low153 Ų153133.7 Ų133.779%0.78576%0.763SS**  trans-29.4136.3165.3-59.3147.9000117.9T649I647-T649 HydrophobicContact CG2-CG2 4.45Å
648Q30.6Very low32.9Very low189 Ų189129.1 Ų129.188%0.88375%0.753SS**  -144.1148.2123.8-167.3154.7-15.100110.6
649T29.9Very low33.3Very low103 Ų103128.5 Ų128.563%0.63276%0.755SS**  trans-91.1157.7-17454.80000112I647I647-T649 HydrophobicContact CG2-CG2 4.45Å
650D32.2Very low33.9Very low147 Ų147129.9 Ų129.979%0.78676%0.762SS**  -165.2170.287.8-84.6-13.1000113.4
651P35.8Very low34Very low107 Ų107129.2 Ų129.270%0.69576%0.759SS**  trans-123.9-163.7-161.434.6-14.5000115.4
652I31.2Very low34.1Very low160 Ų160128.3 Ų128.382%0.82175%0.754SS**  trans99.8129.7162.3-53.6156.8000116.8
653G34.9Very low34.5Very low62 Ų62130.1 Ų130.164%0.63975%0.753SS**  trans128.390166.400000113.8
654N33.6Very low34.6Very low144 Ų144128.9 Ų128.977%0.7775%0.746SS**  70.9136.366.8-65.34.9000113.2
655C29.4Very low34.9Very low95 Ų95130.4 Ų130.464%0.64275%0.748SS**  cis-173.7163.61.9-122.70000113.5
656L35.7Very low34.9Very low150 Ų150130 Ų13079%0.78575%0.748SS**  trans66.7157.8153.7-56.5157.3000116.7
657T36.4Very low35Very low127 Ų127128 Ų12878%0.77975%0.746SS**  cis-165.3154.2-16.520.80000107.4
658G37.7Very low35.3Very low58 Ų58126.9 Ų126.960%0.59875%0.747SS**  cis170178.5-7.400000113.5
659T41.2Very low35.6Very low138 Ų138124.1 Ų124.185%0.84774%0.737SS**  trans80.1150.4143.9580000119.7
660P43.8Very low35.9Very low111 Ų111129.2 Ų129.272%0.72175%0.746SS**  -140.8-143.8-93.336.9-11.3000113.9
661E38.5Very low36Very low173 Ų173125.5 Ų125.581%0.80874%0.735SS**  trans84.5138170.9-66.4-170.4-148.700117.6
662N34.1Very low35.9Very low137 Ų137127.3 Ų127.373%0.73374%0.739SS**  cis-161.7178.2-18.5-161.1-10.4000109.9
663I38.9Very low36.2Very low155 Ų155127.7 Ų127.780%0.79574%0.737SS**  trans94.397.8166.3-52.6170.6000116.2
664T34Very low36.6Very low113 Ų113129.9 Ų129.969%0.69374%0.74SS**  trans-86.1165.1167.245.30000112.6
665L37.5Very low36.8Very low154 Ų154132.1 Ų132.181%0.80675%0.746SS**  -175.4107.5121.6-99166.3000115.5
666N32.5Very low37Very low147 Ų147135.5 Ų135.579%0.78675%0.752SS**  trans24134.6141.7-56-10.6000124.5
667G37.5Very low37.1Very low65 Ų65133.5 Ų133.567%0.6775%0.751SS**  trans159.7128.513800000114.8
668T36.4Very low37.1Very low129 Ų129134.9 Ų134.979%0.79175%0.748SS**  cis109.1122.319.855.80000112.7
669I36.2Very low37Very low132 Ų132138.9 Ų138.968%0.67775%0.752SS**  cis-157.7179.1-8.7-18.3165.7000109.6
670Y36.5Very low36.8Very low210 Ų210140.2 Ų140.282%0.82475%0.748SS**  trans83.1156.9161.2-60.6-66.7000120.7
671A34.1Very low36.4Very low68 Ų68141.9 Ų141.956%0.56275%0.746SS**  cis178.2171.6-44.500000112
672N34Very low36.1Very low146 Ų146138.9 Ų138.978%0.78174%0.74SS**  trans72.5146.5160.1-57.8-15.8000117.9
673H38.5Very low36.1Very low167 Ų167139.4 Ų139.477%0.77374%0.738SS**  cis-160.6150.6-21.9-134.9-91.4000108.9
674P42.6Very low36Very low109 Ų109138.8 Ų138.871%0.70873%0.732SS**  trans-99.5173.5179.238.2-36.4000114.4
675H37.7Very low36.1Very low191 Ų191140.7 Ų140.788%0.88473%0.733SS**  trans-144.6158.6167.2-133.3-87.7000114.4
676Q34.2Very low36Very low165 Ų165137.1 Ų137.177%0.77172%0.72SS**  trans-120.3154.6-168.5-54.7170.2-1700114
677S36.3Very low36.1Very low108 Ų108136.6 Ų136.676%0.75572%0.718SS**  trans-178.7123.6134.538.90000110.2
678Q36.6Very low36Very low156 Ų156140.6 Ų140.673%0.72972%0.723SS**  70.5141.280.5-69.2-168.531.200115
679Q35.5Very low36.2Very low143 Ų143142 Ų14267%0.66873%0.725SS**  cis-170.5-174.4-12.7-117.2-177.531.900110.1
680Q36.7Very low36.3Very low166 Ų166140.6 Ų140.678%0.77672%0.724SS**  trans88.5145.9158.3-56.7-169.713.100120.6
681Q35.9Very low36.3Very low145 Ų145135.4 Ų135.468%0.67872%0.718SS**  cis-171.1129.3-40.2-121.8-177.22.600113.4
682T31.6Very low36.6Very low111 Ų111139 Ų13968%0.68173%0.733SS**  trans63.6170.614662.60000119.2
683Q34.5Very low37Very low147 Ų147137.3 Ų137.369%0.68773%0.731SS**  cis-162.6167.911.5-149.2176.496.200114.5
684Q36.5Very low37.1Very low143 Ų143137.1 Ų137.167%0.66873%0.734SS**  trans77.8152158.9-49.7-155.36.100119
685Q36Very low37.1Very low153 Ų153137.9 Ų137.972%0.71574%0.739SS**  cis-175.2165.5-23.3-95.1-146.992.300106.9
686S35.3Very low37.3Very low78 Ų78132.1 Ų132.155%0.54573%0.731SS.*  cis-172.8-178.7-19.7-87.70000109.7
687N35.3Very low37.4Very low137 Ų137129 Ų12973%0.73373%0.727SS**  trans84.1114.2165.1-55.7-10.3000117.8
688L36.3Very low37.4Very low148 Ų148131.1 Ų131.178%0.77573%0.729SS**  83.2130.654.8-69.3168.5000112.3
689L40Very low37.4Very low160 Ų160129.6 Ų129.684%0.83873%0.73SS**  cis-143.9176.416.5-91.2123.5000113.6
690P38.8Very low37.4Very low102 Ų102130.8 Ų130.866%0.66274%0.735SS**  trans-129.7175.1-160.543.8-30.2000119.3
691S35.9Very low37.3Very low100 Ų100129.5 Ų129.570%0.69973%0.732SS**  trans68.6132.4141.965.40000123.9
692T40.3Very low37.6Very low143 Ų143127.7 Ų127.788%0.87773%0.733SS**  -167.9152.6119.114.30000112.7
693P41.8Very low37.6Very low112 Ų112129.8 Ų129.873%0.72774%0.74SS**  trans-127.9-179-178.741.2-26.2000114.8
694I40.5Very low37.6Very low162 Ų162126.4 Ų126.483%0.83174%0.738SS**  trans166.1152.1134.8-88.6160.8000112.7
695P43.3Very low37.5Very low126 Ų126127.4 Ų127.482%0.81875%0.746SS**  trans-131.6-176.4-162.343.7-27.3000117.1
696G41.8Very low37.4Very low69 Ų69125.9 Ų125.971%0.71174%0.743SS**  trans160.7162.3157.200000114.2
697S37Very low37.3Very low100 Ų100128 Ų12870%0.69975%0.749SS**  cis-179.6158.2-18.849.50000110.7
698I35.1Very low37.3Very low153 Ų153126.3 Ų126.379%0.78575%0.748SS**  trans67.9147.3151.9-72.9164.1000117.2
699T37.5Very low37.3Very low123 Ų123124.8 Ų124.876%0.75575%0.749SS**  cis-166.8175.1-21.436.50000107.8
700H35.1Very low36.9Very low168 Ų168128.2 Ų128.278%0.77875%0.751SS**  cis175.7167.4-38.2-169.940.9000108.8
701I34.6Very low37Very low139 Ų139127.7 Ų127.771%0.71375%0.748SS**  trans74.9147.7168.9-53.4-169.8000117.7
702P42.5Very low37Very low107 Ų107131.3 Ų131.370%0.69575%0.753SS**  trans-125.2-140.5-169.545-26.6000113.8
703D30.7Very low36.7Very low155 Ų155129.9 Ų129.983%0.82975%0.75SS**  trans99153.2159.9-86.1-55.3000122.1
704A34.3Very low36.5Very low77 Ų77128.2 Ų128.264%0.63675%0.752SS**  trans85.9116.8156.700000122.5
705L36.2Very low36Very low163 Ų163127.6 Ų127.685%0.85375%0.75SS**  trans70.8131.1131.6-66.3173.1000119.7
706N33.6Very low35.6Very low121 Ų121132.3 Ų132.365%0.64775%0.753SS**  cis174.5161.313.6-176.416.4000110.1
707N33.3Very low35Very low123 Ų123136.2 Ų136.266%0.65875%0.753SS**  trans65118.2152.5-92.6-29.4000123.2
708S33.8Very low34.5Very low102 Ų102141.8 Ų141.871%0.71376%0.758SS**  60140118.5-58.70000121.3
709S36.9Very low34.4Very low116 Ų116142.4 Ų142.481%0.81176%0.763SS**  cis-164.7153.41.738.40000113.1
710R31.6Very low34.1Very low232 Ų232143.5 Ų143.588%0.87576%0.762SS**  trans-81.2-178.7165.6-127.7-176.9158.1-165.1-7.8109.7
711P41.5Very low34.2Very low91 Ų91141.8 Ų141.859%0.59177%0.766SS**  cis-138.8-175.4-5.342-23.1000116.3
712E35.2Very low33.9Very low175 Ų175138.7 Ų138.782%0.81876%0.757SS**  trans59.1158147.7-82.5169.5-145.900120.4
713S33.9Very low33.4Very low114 Ų114141.6 Ų141.680%0.79776%0.761SS**  cis-151.2160.6-12.5480000108.7
714G37.7Very low33.6Very low76 Ų76141.5 Ų141.578%0.78476%0.759SS**  trans-175.9124177.800000114.3
715L31.1Very low33.4Very low150 Ų150145.1 Ų145.179%0.78577%0.767SS**  trans-73.4150.5171-61.2162000110
716Y34.3Very low33.3Very low225 Ų225145.9 Ų145.988%0.88276%0.764SS**  -179.2146.5110.7-97.4-65000114.8
717Q28.8Very low33.2Very low150 Ų150146.2 Ų146.270%0.70177%0.77SS**  trans-31.8140.1167.7-154.572.5-5.500117.3
718W26.5Very low33.1Very low217 Ų217148.4 Ų148.482%0.82278%0.782SS**  trans4.6131.6148.2-53.761.4000118.9
719L32.7Very low33.2Very low167 Ų167147.9 Ų147.987%0.87478%0.778SS**  -163.7163.2117.7-13169.1000114
720I32.3Very low33.1Very low146 Ų146149 Ų14975%0.74978%0.775SS**  trans-76.4126.7178.3-62.1159.6000110.2S722I720-S722 PolarHBondContact O-N 3.47Å
721P36.2Very low33.3Very low132 Ų132146.4 Ų146.486%0.85778%0.779SS**  trans-78.484.5171.9-9.126.4000111.2
722S30Very low33Very low73 Ų73149 Ų14951%0.5179%0.788SS.*  trans-90.3155.9152.8-71.30000109.8I720I720-S722 PolarHBondContact O-N 3.47Å
723H32Very low33.1Very low168 Ų168146.3 Ų146.378%0.77879%0.788SS**  trans64.6101.1171.4-24.4-73.1000116.6
724L33.2Very low33Very low153 Ų153147.2 Ų147.280%0.80178%0.784SS**  trans-144.282141.5-121.3175.6000109.9K726L724-K726 PolarHBondContact O-N 3.17Å
725L31.5Very low33Very low154 Ų154148.2 Ų148.281%0.80679%0.785SS**  trans-65.8119.7171.5-79.277.3000108.7
726K33Very low33.3Very low179 Ų179147.3 Ų147.378%0.77878%0.781SS**  trans-110.680.7163-136.974.9178.4-174.70109.4L724 N728L724-K726 PolarHBondContact O-N 3.17Å; K726-N728 PolarHBondContact O-N 3.25Å
727T31.4Very low33.4Very low127 Ų127143.4 Ų143.478%0.77978%0.775SS**  trans24.297149.854.20000116.8
728N31.7Very low33.7Very low169 Ų169143.1 Ų143.190%0.90478%0.778SS**  trans-118131.4144.1-166.13.2000107K726K726-N728 PolarHBondContact O-N 3.25Å
729S36.3Very low34.2Very low91 Ų91138.5 Ų138.564%0.63677%0.774SS**  trans-121.5153.1-163-1670000112.4
730N34.5Very low34.2Very low140 Ų140137.1 Ų137.175%0.74977%0.768SS**  trans92.6104.7167.2-50.8-10.1000116.1
731N34.7Very low34.4Very low178 Ų178136.8 Ų136.895%0.95277%0.767SS**  trans-132.7128.5130.9-104.2-38.6000106.9
732N36Very low34.4Very low145 Ų145137.6 Ų137.678%0.77577%0.765SS**  trans-131.5133.9-175.1176.417.5000109.2
733S36.7Very low34.6Very low118 Ų118138.9 Ų138.983%0.82577%0.773SS**  trans-160.8101.8159-85.70000112.9
734N32.7Very low34.8Very low134 Ų134138.5 Ų138.572%0.71777%0.771SS**  70110.5128.3-165.311.1000120.3N736N734-N736 PolarHBondContact OD1-N 3.31Å
735A37.1Very low34.9Very low96 Ų96137 Ų13779%0.79377%0.768SS**  trans-146.8105.9132.700000110.2
736N37Very low35Very low132 Ų132134.7 Ų134.771%0.70676%0.76SS**  trans32.1111.2157.5-65.7-8000117.8N734N734-N736 PolarHBondContact OD1-N 3.31Å
737N36.3Very low35Very low142 Ų142133.5 Ų133.576%0.75976%0.761SS**  -170.214568.1-90.8-43.8000113.8
738N35.3Very low35.3Very low145 Ų145133.6 Ų133.678%0.77576%0.764SS**  trans61.6136.9154.9-72.1-14.6000122.1
739T37.4Very low35.5Very low120 Ų120129.7 Ų129.774%0.73676%0.755SS**  trans71.986.5158.548.40000120.1
740N33.3Very low35.3Very low137 Ų137131 Ų13173%0.73376%0.763SS**  trans88.6115.6131.3-55.8-3.7000120.2
741N35.7Very low35.4Very low139 Ų139130.1 Ų130.174%0.74377%0.766SS**  trans74.980154.7-43.5-9.3000115.7
742D36.8Very low35.2Very low150 Ų150126 Ų12680%0.80276%0.756SS**  7414484.3-75.3-75.4000115.7
743C34.2Very low35Very low100 Ų100128.9 Ų128.968%0.67676%0.762SS**  cis-149.1153.13.5-126.70000109.2
744H35.4Very low34.6Very low159 Ų159128.1 Ų128.174%0.73676%0.757SS**  57.4126.290.3-143.2-144.4000114.8
745V35.6Very low34.6Very low122 Ų122129.4 Ų129.474%0.73976%0.763SS**  cis-163.1162.246.8170.70000107.9
746T33.5Very low34.2Very low106 Ų106131.9 Ų131.965%0.6576%0.763SS**  cis177.9159.8-27.8-69.30000107.4
747I34.5Very low34.2Very low154 Ų154131.1 Ų131.179%0.7977%0.765SS**  trans-70.8179-176.82.9174.4000115
748P37.4Very low34.2Very low129 Ų129128.4 Ų128.484%0.83876%0.762SS**  cis-147.2-149.74542.6-17.8000117.4
749A35Very low34.1Very low87 Ų87128.9 Ų128.972%0.71977%0.765SS**  trans-150.5171.2-158.500000118
750S32.4Very low34.1Very low117 Ų117131 Ų13182%0.81877%0.766SS**  trans70.5169.2161.3-62.60000118
751P37.4Very low34.3Very low123 Ų123131.8 Ų131.880%0.79977%0.769SS**  cis-127.2-163.70.943.7-27.3000114.7
752A30.2Very low34.4Very low90 Ų90132.5 Ų132.574%0.74477%0.772SS**  trans-95.7160.5179.100000114.2
753F31.9Very low34.2Very low206 Ų206128.3 Ų128.390%0.90476%0.764SS**  trans-148.9158.8165.9-113.5-84000112.5
754S28.1Very low34.2Very low102 Ų102131.4 Ų131.471%0.71377%0.773SS**  trans-124.2146.6172.7170.70000108.9
755L31.9Very low34.1Very low161 Ų161129.6 Ų129.684%0.84377%0.769SS**  trans178.4152.1139.7-97.9160.9000114.6
756N29.4Very low34Very low148 Ų148132.1 Ų132.179%0.79177%0.77SS**  trans-23.6154.7174-105.5-7.1000121.8
757P37.6Very low34.2Very low116 Ų116131.8 Ų131.875%0.75378%0.778SS**  trans-93.5151172.138-33.7000114.1
758A34.8Very low34.4Very low85 Ų85131.8 Ų131.870%0.70278%0.78SS**  trans-162.8132.9160.800000113
759N33.7Very low34.3Very low155 Ų155136.5 Ų136.583%0.82978%0.781SS**  trans64.6155.6163.4-53-32.5000116.9
760H38.5Very low34.3Very low164 Ų164139.5 Ų139.576%0.75978%0.78SS**  cis-136.4158.19.2-151.2-79.6000112.1
761L36.1Very low34.6Very low154 Ų154138.6 Ų138.681%0.80677%0.769SS**  trans-108.8-176.4-177-129.2159.8000111.3
762I37.2Very low34.2Very low154 Ų154141.7 Ų141.779%0.7977%0.773SS**  trans94.8124174.1-52.3154.9000114.2
763G33.6Very low34.3Very low63 Ų63145.3 Ų145.365%0.64978%0.776SS**  cis162155.8-10.500000114.6
764L34.1Very low34.5Very low165 Ų165143.1 Ų143.186%0.86477%0.773SS**  trans-174.9101.9158-96.8169000105
765D34.3Very low34.9Very low120 Ų120150.1 Ų150.164%0.64280%0.801SS**  71.2115.665.9-160.852.2000111.4
766K32.4Very low35Very low175 Ų175149.6 Ų149.676%0.76180%0.799SS**  cis-142.1133.118.6-66.3168.1172.460.50113.1
767A37.7Very low35.3Very low100 Ų100149.6 Ų149.683%0.82680%0.799SS**  trans-172142.6143.900000111.7
768N38.2Very low35.2Very low154 Ų154151.5 Ų151.582%0.82480%0.802SS**  trans-42.7129.3-176.1-51.8-47.5000114.9
769R34.8Very low35.2Very low228 Ų228155.4 Ų155.486%0.8681%0.808SS**  79.5130.756.6-77.1-166.2176.1-143.20.3114.7
770H35.8Very low35.3Very low150 Ų150155.4 Ų155.469%0.69481%0.806SS**  trans67.9145.3-174.9-75.224.9000113.6D569D569-H770 IonicContact OD2-CD2 2.63Å; D569-H770 PolarHBondContact OD2-CD2 3.47Å; D569-H770 IonicContact OD2-CG 2.73Å
771V38.7Very low35.1Very low98 Ų98154.9 Ų154.959%0.59481%0.81SS**  cis-117.4148.810174.90000111.8
772Q29.9Very low35Very low187 Ų187154.9 Ų154.987%0.87481%0.81SS**  trans-134.798.9162179.1-17269.800109.3
773M31.8Very low34.9Very low167 Ų167155 Ų15582%0.82381%0.811SS**  trans-174.2139.3154.7-112.3-165.7-64.600111.4
774L36.7Very low35Very low160 Ų160162.7 Ų162.784%0.83883%0.825SS**  trans99.797167-65.4156.9000117.6
775L35.2Very low35Very low248 Ų248162.5 Ų162.5100%1.29882%0.821SS**  trans65.30160.3-65.1159.5000115.8

Retrieved 775 of 775 residues in 576.6 ms (Link to these results)