A0A087YM57_POEFO Loading...

Mex-3 RNA binding family member B

AlphaFold DB , UniProt , Accession A0A087YM57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 680 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low44.3Very low248 Ų248139.1 Ų139.1100%1.22281%0.805SS**  0137.50-75.1165.316000108.1
2M45.7Very low44.1Very low164 Ų164141.8 Ų141.881%0.80881%0.814SS**  trans-89.2166.4154-67.7-178.8151.400108
3P58.1Low44.2Very low123 Ų123145.1 Ų145.180%0.79982%0.818SS**  -110165.866.5-5.527.7000112.4
4S44.9Very low43.8Very low87 Ų87139.2 Ų139.261%0.60881%0.806SS**  cis80.3105.621.7-490000116.5
5S47.2Very low43.3Very low107 Ų107142.5 Ų142.575%0.74881%0.811SS**  163.7159.3121.7-70.70000114
6T44.3Very low42.9Very low136 Ų136140.4 Ų140.483%0.83481%0.808SS**  trans67.5147.6164.264.50000118.7
7S39.3Very low42.9Very low96 Ų96143.5 Ų143.567%0.67181%0.813SS**  cis-173.9160-19.750.40000111
8L38.4Very low43.4Very low139 Ų139141.9 Ų141.973%0.72881%0.807SS**  trans58.7125.4153.2-88160.5000120.2
9L44.5Very low43.9Very low170 Ų170140.4 Ų140.489%0.8980%0.803SS**  -163.8154.7111.9-104173000110.5
10E39.7Very low44.4Very low169 Ų169138.9 Ų138.979%0.7980%0.798SS**  trans-106.9140.6-179.7-66.6153.78700110.8
11A43.3Very low44.7Very low91 Ų91138.2 Ų138.275%0.75280%0.799SS**  trans-173.4110.8151.400000109
12D41.9Very low44.8Very low172 Ų172134.3 Ų134.392%0.9278%0.782SS**  trans-142.4120.5162.2-167.2-125.7000107.4
13E45.7Very low44.7Very low184 Ų184133 Ų13386%0.8678%0.783SS**  trans-140.5111.2-172.454-174.4103.900108.7
14G38.7Very low43.6Very low63 Ų63136.6 Ų136.665%0.64979%0.789SS**  trans176.6116.2-174.300000112.3
15E35.9Very low43.3Very low188 Ų188136.3 Ų136.388%0.87979%0.792SS**  trans-38.6140.2-174.949-105.570.900118.8
16S36.4Very low42.7Very low110 Ų110141.1 Ų141.177%0.76980%0.8SS**  trans-108.5120.7164-176.50000110.1
17E43.8Very low42.3Very low193 Ų193139.7 Ų139.790%0.90280%0.802SS**  trans-101.6115.7174.4-167.3177.2175.100110.9
18V51Low42Very low114 Ų114138.6 Ų138.669%0.69181%0.806SS**  trans-130126.1173.6178.60000108.2
19P53.1Low41.9Very low113 Ų113141 Ų14173%0.73482%0.815SS**PPolyproline II helixtrans-72.6137.2-17728.6-34.5000111.8
20P54.5Low41.3Very low110 Ų110136.1 Ų136.171%0.71481%0.807SS**PPolyproline II helixtrans-81.9150.4-177.332.5-35.6000113
21P50.9Low41.1Very low125 Ų125135.8 Ų135.881%0.81281%0.809SS**PPolyproline II helixtrans-78.1147.6167.633.6-33.7000111
22L43Very low40.6Very low166 Ų166137.5 Ų137.587%0.86981%0.806SS**  trans-123.4122.2170.6-78.9174.6000111.6
23V43.6Very low40.3Very low136 Ų136138.4 Ų138.482%0.82481%0.805SS**  trans-129.9128164.2-78.30000108
24H35.9Very low39.9Very low199 Ų199136.6 Ų136.692%0.92180%0.796SS**  trans-152.8158.4165.8-105.5-76.6000109.7
25A37.6Very low39.9Very low81 Ų81142.4 Ų142.467%0.66981%0.806SS**  trans-130155.2-161.100000114.1
26F36.3Very low39.6Very low208 Ų208136.4 Ų136.491%0.91280%0.795SS**  trans21.1128.9160.4-58-70.4000121.8
27A35.5Very low39.4Very low106 Ų106136.7 Ų136.788%0.87680%0.796SS**  -172136.813000000114.4
28G32.8Very low38.9Very low74 Ų74135.8 Ų135.876%0.76379%0.792SS**  trans79.5149.7156.300000118.6
29M35.5Very low37.8Very low188 Ų188134.1 Ų134.193%0.92679%0.786SS**  cis-154.8144.4-4-52-175.3-57.800111.7
30G32.1Very low36.7Very low69 Ų69137.7 Ų137.771%0.71179%0.793SS**  trans68.5154.2152.400000119.1
31L35.4Very low35.6Very low161 Ų161136.4 Ų136.484%0.84379%0.791SS**  cis-145.2168.1-7-80.7177.2000109.3
32D33.1Very low35.4Very low127 Ų127136 Ų13668%0.67979%0.789SS**  trans16.4137.8159.1-61.2-108000120.1
33E36Very low34.7Very low192 Ų192137 Ų13790%0.89779%0.789SS**  -158.7160.364.9-164.6158.174.900113.8
34H37.6Very low33.9Very low145 Ų145139.1 Ų139.167%0.67179%0.79SS**  trans-90.3155.8-179-66.1-113000111.4
35H37.8Very low34.6Very low185 Ų185134.5 Ų134.586%0.85678%0.778SS**  cis-154.1150.242.6-6166.5000109.8
36G30.2Very low34.2Very low63 Ų63137.4 Ų137.465%0.64978%0.782SS**  88.799.685.900000113
37S32.1Very low34.1Very low115 Ų115134.4 Ų134.480%0.80477%0.771SS**  65.3136.485.771.20000114.7
38Q32.3Very low34Very low175 Ų175133.5 Ų133.582%0.81876%0.758SS**  cis-168.5165.89.6-135.2-172.635.700111.8
39S29.6Very low33.9Very low79 Ų79136 Ų13655%0.55276%0.758SS**  trans66.2137.7141.5-580000124.8
40Q30Very low33.5Very low188 Ų188131.5 Ų131.588%0.87975%0.745SS**  trans72.7131.5138.2-81.6173.5-70.500124.1
41A30.4Very low33.4Very low83 Ų83136.7 Ų136.769%0.68675%0.748SS**  trans-86.1174.8147.200000108.9
42P47.7Very low33.2Very low117 Ų117135.5 Ų135.576%0.7674%0.738SS**  cis-152.3-161.138.936.8-10000117.3
43E27.1Very low33.1Very low185 Ų185136.9 Ų136.986%0.86474%0.74SS**  trans94.6161.7156.5-50.4-119.674.700120.1
44Q27.6Very low32.7Very low182 Ų182136.1 Ų136.185%0.8574%0.737SS**  trans-119-161.1-166.7-56.5-170-24.300110.1
45P49.8Very low32.4Very low102 Ų102137.1 Ų137.166%0.66275%0.746SS**  cis-124.8-141.1-9.236-11.8000111.3
46D29.7Very low32.6Very low141 Ų141134 Ų13475%0.75474%0.742SS**  cis-164.7164.95.3-125.8-8.6000106.5
47E34.3Very low32.5Very low146 Ų146135.2 Ų135.268%0.68275%0.746SS**  cis-161.6171.1-16.7-148.2-72.397.600106.6
48S32.8Very low32.4Very low86 Ų86136.5 Ų136.560%0.60175%0.749SS**  trans81.4135.9151.285.70000117.1
49V31.5Very low32.2Very low126 Ų126134.2 Ų134.276%0.76475%0.752SS**  cis-155.1158.5-1.5-118.60000112.8
50S26.9Very low32.3Very low95 Ų95139 Ų13966%0.66477%0.765SS**  trans93.2103.9144.2-69.20000124.1
51F29.6Very low32.2Very low177 Ų177139.3 Ų139.378%0.77676%0.764SS**  77.896.5129.6-75.7-86.8000124.7
52H31.2Very low32.1Very low137 Ų137140 Ų14063%0.63476%0.764SS**  72.4122122.2-88.4-98000125.1
53H31.1Very low31.5Very low156 Ų156141.7 Ų141.772%0.72277%0.765SS**  trans53.8144.6139.6-69.3-12.4000120.7
54Q28Very low31.8Very low175 Ų175140.9 Ų140.982%0.81877%0.766SS**  cis-153.6-171.913.4-152.4149.4-37.400112.3
55L31Very low32Very low167 Ų167135.4 Ų135.487%0.87476%0.758SS**  trans-74.7165.4-173.9-78.5169.4000115.5
56P41.8Very low31.3Very low119 Ų119137.4 Ų137.477%0.77377%0.769SS**  trans-102.1164.9-150.939.3-38000116.4
57A27.8Very low31.4Very low89 Ų89137.3 Ų137.374%0.73677%0.773SS**  trans-152.9145.816200000113.2
58V30.9Very low31.4Very low141 Ų141138.3 Ų138.386%0.85578%0.782SS**  trans4196.5162.1-70.60000120.2
59S27.2Very low31.3Very low127 Ų127141 Ų14189%0.88879%0.79SS**  trans-95.3106.5156.5-57.40000111.2
60H31.5Very low31.4Very low179 Ų179142.9 Ų142.983%0.82979%0.794SS**  trans-75.1128.8148.7-98.1-114.7000107.8
61F27.9Very low31.5Very low196 Ų196147.6 Ų147.686%0.8680%0.803SS**  -177.4160.3125.5-118.5-96.3000111.6
62S29.9Very low32.6Very low96 Ų96144.5 Ų144.567%0.67180%0.801SS**  trans-104.7177.9177.6-54.50000111.5
63I33.2Very low32.9Very low153 Ų153145.7 Ų145.779%0.78581%0.811SS**  trans80135.6169.2-48.6151.3000111.6
64L35.1Very low33.5Very low169 Ų169144.5 Ų144.589%0.88582%0.817SS**  cis-111.7173.18-59.1155.8000110.4
65G31.5Very low33.7Very low67 Ų67143.6 Ų143.669%0.69182%0.817SS**  cis176.2146.8-1.900000107.1
66T33.6Very low33.5Very low144 Ų144144.5 Ų144.588%0.88382%0.817SS**  -153.1153.379.743.90000111.8
67V31.9Very low33Very low138 Ų138147.7 Ų147.784%0.83681%0.813SS**  trans-143.7130.6177.1175.90000111.6
68L35.9Very low34.1Very low168 Ų168148.7 Ų148.788%0.8881%0.812SS**  trans-143.9152158.9-62.7173.6000104.9
69D30.3Very low35.3Very low142 Ų142146.8 Ų146.876%0.75980%0.802SS**  cis-146.9-162.514-161.92.7000111.7
70L32.4Very low35.6Very low165 Ų165146 Ų14686%0.86480%0.797SS**  trans-87.8-170.5-156.1-70.4160.8000119.2
71K29.9Very low35.6Very low194 Ų194140.3 Ų140.384%0.84379%0.787SS**  trans-161.8159-162.6169.4178.2179.4172.40109.2
72P51.9Low35.7Very low113 Ų113138.6 Ų138.673%0.73479%0.787SS**  cis-131.6-166.1-10.237.8-16.8000116.4
73L37.7Very low35.9Very low161 Ų161142.4 Ų142.484%0.84379%0.794SS**  trans-47.9164.8171-51169.6000117.7
74P44.8Very low35.9Very low132 Ų132138.8 Ų138.886%0.85779%0.787SS**  -154.4-173.579.642.7-21.3000119.7
75L32.1Very low35.5Very low156 Ų156138.5 Ų138.582%0.81779%0.786SS**  trans-64.7163.4-175-86.3153.8000119.8
76H27.2Very low35.5Very low186 Ų186144.9 Ų144.986%0.86180%0.795SS**  -156.5158.3118.4-131.5-91.5000116.7
77R30.5Very low35.2Very low186 Ų186143.8 Ų143.870%0.70279%0.788SS**  trans-135.8155.3176.2-153-153.1162.6-176.5-4.8110.7
78P50.3Low35.2Very low109 Ų109141.1 Ų141.171%0.70878%0.781SS**  -143.4-155.1104.737.6-17.8000110.6
79P56.7Low34.9Very low101 Ų101140.9 Ų140.966%0.65678%0.775SS**  cis-130.3-108-2.440.2-17.6000114.6
80S34.4Very low34.9Very low110 Ų110141.1 Ų141.177%0.76978%0.776SS**  trans-140.9160.4-143.952.70000114.2
81G29.6Very low35Very low60 Ų60141.2 Ų141.262%0.61977%0.772SS**  cis174.5170.6-3.400000113.5
82D31.9Very low35.1Very low160 Ų160139.7 Ų139.786%0.85677%0.768SS**  trans60.9149.4154.6-43.5-37.3000119.9
83E32.5Very low34.2Very low177 Ų177141.2 Ų141.283%0.82777%0.769SS**  cis-157.4169.5-6.7-135.9-158119.700113.4
84A32.8Very low34Very low76 Ų76142.5 Ų142.563%0.62877%0.771SS**  trans53.5125.5147.100000126.2
85N28.3Very low33.3Very low163 Ų163139.5 Ų139.587%0.87276%0.764SS**  trans12.4140.2137.5-64.2-21.3000123.1
86K30Very low33.3Very low202 Ų202140.3 Ų140.388%0.87877%0.767SS**  -165.5161.6105.8-142.6173.4175.9-177.90115.3
87T28.2Very low33.4Very low121 Ų121136.3 Ų136.374%0.74277%0.766SS**  trans-100.9151.8173.249.70000113.5
88A31.6Very low33.4Very low82 Ų82131.7 Ų131.768%0.67877%0.768SS**  trans178.2141.5160.100000106.9
89E30.2Very low32.4Very low163 Ų163132.7 Ų132.776%0.76277%0.772SS**  cis70.61273595.9-152.66700112.9
90D30.8Very low31.1Very low147 Ų147132.9 Ų132.979%0.78678%0.776SS**  cis-161.1179.10-128.7-28.7000113.5
91E34Very low30.9Very low166 Ų166133 Ų13378%0.77678%0.777SS**  trans62.6121.9154-73.4-174.4161.100126.2
92E30.8Very low30.7Very low162 Ų162134 Ų13476%0.75779%0.787SS**  63.5154.8128.1-122.3-172.198.400127.3
93L34.5Very low30.6Very low146 Ų146130.4 Ų130.476%0.76478%0.779SS**  trans94.6147.7153.3-88158.2000122.8
94E32.4Very low30.5Very low188 Ų188129.5 Ų129.588%0.87978%0.779SS**  trans-80.4168.2-172.5-56-173.1100.900113.9
95G30Very low30.6Very low68 Ų68133.4 Ų133.470%0.70179%0.789SS**  trans167.286.3155.300000118.1
96I32.2Very low30.8Very low173 Ų173129.4 Ų129.489%0.88778%0.779SS**  trans34.4123144.3-39.6178.7000118.9
97A30.4Very low31Very low102 Ų102129 Ų12984%0.84378%0.777SS**  trans-75.3138.5175.900000114.9
98A28.9Very low31Very low90 Ų90127.1 Ų127.174%0.74477%0.774SS**  trans-157.5111.7155.500000114.2
99T30.2Very low30.9Very low129 Ų129131.4 Ų131.479%0.79178%0.779SS**  trans24.4121.3144.258.40000122.7
100S30.4Very low30.8Very low106 Ų106132.8 Ų132.874%0.74178%0.778SS**  trans93154.9133.185.90000122.2
101S28.9Very low30.5Very low112 Ų112131.7 Ų131.778%0.78377%0.772SS**  trans89.575.6146-54.70000121.8
102G26.1Very low30.2Very low81 Ų81131.8 Ų131.884%0.83577%0.772SS**  trans74.7174.9140.500000118.4
103A29.5Very low29.9Very low84 Ų84131.1 Ų131.169%0.69477%0.769SS**  cis-162.8-169.90.300000110.5
104L30.3Very low29.9Very low158 Ų158131.3 Ų131.383%0.82777%0.77SS**  trans73144.4168.7-38-178.8000114
105L35.6Very low30.8Very low158 Ų158127.2 Ų127.283%0.82776%0.759SS**  cis-161.9-179.2-15.4-14167.5000105.9
106A32Very low30.6Very low80 Ų80130.1 Ų130.166%0.66177%0.769SS**  cis-161.9-175.61.100000107.1
107K33.2Very low30.2Very low192 Ų192125.4 Ų125.484%0.83576%0.763SS**  cis-161.8157.6-9.9-151.1175.1-179.1171.90108.8
108A30Very low30.2Very low82 Ų82130 Ų13068%0.67877%0.767SS**  trans61.9130.3157.500000117.1
109H29Very low30.1Very low172 Ų172131.9 Ų131.980%0.79678%0.775SS**  cis-149173.840-95.8-122.3000110.3
110R27Very low30Very low193 Ų193129.2 Ų129.273%0.72877%0.773SS**  cis-174.4121.3-32.8169.7176.2166.7154.8-5.2107.9
111N25.9Very low29.9Very low123 Ų123130.7 Ų130.766%0.65878%0.778SS**  trans63.8131.4168.8-62.122.8000116.1
112Q26.1Very low29.8Very low168 Ų168132 Ų13279%0.78578%0.781SS**  cis70.5143.131.3-49.6-179.6000112.8
113H25.5Very low29.8Very low148 Ų148136.7 Ų136.769%0.68578%0.783SS**  cis-160157.83.7-139.9-128.8000106.5
114L34.8Very low29.5Very low150 Ų150140.6 Ų140.679%0.78579%0.787SS**  31.1161.874.2-85.299.4000116.8
115P49.9Very low29.8Very low102 Ų102138.2 Ų138.266%0.66278%0.781SS**  cis-125.8-160.5-19.440.7-23.8000110.9
116S26Very low30.1Very low129 Ų129135.9 Ų135.990%0.90278%0.775SS**  trans-162.8144.9136.3-83.60000111
117G24.8Very low30Very low74 Ų74141 Ų14176%0.76379%0.785SS**  trans-169158.4174.200000110.4
118Q29.9Very low29.8Very low199 Ų199138.4 Ų138.493%0.9379%0.785SS**  trans-161.2146.3175.6-140173.66600114.1
119S28Very low29.7Very low129 Ų129141.9 Ų141.990%0.90279%0.788SS**  trans73.4151.5163.8-149.80000119
120G27.2Very low29.8Very low74 Ų74138 Ų13876%0.76378%0.776SS**  trans125.192.9170.800000115.4
121T27.4Very low29.9Very low136 Ų136135.5 Ų135.583%0.83478%0.782SS**  trans-94.6134.1169.237.70000112.5
122V26.7Very low30Very low140 Ų140135.8 Ų135.885%0.84878%0.783SS**  trans31131.6142.3-170.90000119.8
123M26Very low30.1Very low180 Ų180135.8 Ų135.889%0.88779%0.787SS**  trans117.2152.4151.9-144.1157.9-171.700116.7
124E23.7Very low30.3Very low166 Ų166138.3 Ų138.378%0.77679%0.792SS**  trans-54.9173.1174.7-117.8-154.2114.200114.4
125P37Very low30.2Very low108 Ų108136.9 Ų136.970%0.70179%0.785SS**  cis-135.7-123.711.438.1-12000114.2
126P41.7Very low29.1Very low108 Ų108135.1 Ų135.170%0.70179%0.786SS**  trans-127.1-165.5-142.833.4-5.7000116.6
127H30.6Very low29.2Very low188 Ų188135.4 Ų135.487%0.8778%0.777SS**  trans-50134.2-173.8-42.4-92.2000118.9
128V27.9Very low29.4Very low138 Ų138139.5 Ų139.584%0.83678%0.776SS**  trans-172.5156.4140.6106.50000107.3
129E28.9Very low29.6Very low155 Ų155139.1 Ų139.172%0.72477%0.766SS**  cis-144.9173.14.5-126.6-162.4-8300107.4
130T31.3Very low29.5Very low91 Ų91139.6 Ų139.656%0.55876%0.759SS**  cis-122.4-109.7-3.4-43.40000110.2L132T130-L132 HydrophobicContact CG2-CG 4.3Å
131V27.9Very low29.6Very low139 Ų139142.8 Ų142.884%0.84276%0.758SS**  cis-136.7159.91.7-173.50000109.4
132L28.5Very low29.7Very low129 Ų129141 Ų14168%0.67575%0.751SS**  trans-95.1151.1-164.6-70.8163.6000112.8T130T130-L132 HydrophobicContact CG2-CG 4.3Å
133L28Very low29.8Very low168 Ų168138 Ų13888%0.8875%0.749SS**  cis-135.6155.443.3-72.4157.6000115.1
134Y30Very low30.2Very low201 Ų201136.6 Ų136.679%0.78875%0.75SS**  trans-86.5166178.4-114.7-118.6000113.1
135N32.6Very low30.4Very low121 Ų121132.1 Ų132.165%0.64775%0.748SS**  cis-98.7-150.310.8-56.56.4000114D137N135-D137 VanDerWaalsContact CB-OD2 3.29Å; N135-D137 WeakPolarHBondContact CB-OD2 3.39Å; N135-D137 PolarHBondContact ND2-OD2 3.04Å
136G26.3Very low30.1Very low65 Ų65131 Ų13167%0.6776%0.757SS**  cis169.2-179.410.200000114.5
137D29.2Very low29.6Very low134 Ų134129.8 Ų129.872%0.71776%0.764SS**  cis-151.1-119.3-12.4-76.6123.5000109.8N135N135-D137 VanDerWaalsContact CB-OD2 3.29Å; N135-D137 WeakPolarHBondContact CB-OD2 3.39Å; N135-D137 PolarHBondContact ND2-OD2 3.04Å
138E28Very low29.7Very low161 Ų161127.2 Ų127.275%0.75277%0.767SS**  trans-141.2162.1-172.7-64.3-1629200112.8
139R33.9Very low30Very low191 Ų191125.6 Ų125.672%0.72177%0.768SS**  cis-172.8163.2-20.3-103.5-166.6-158.5-144.2-2.2109.5
140D27.8Very low30.2Very low139 Ų139126.1 Ų126.174%0.74378%0.775SS**  trans59168.4161.1-51.3-37.2000116.7
141D28.3Very low31.6Very low141 Ų141127.1 Ų127.175%0.75478%0.783SS**  cis-140.8179.14.2-175.4-123.9000112.6
142S29.3Very low33.3Very low98 Ų98125.9 Ų125.969%0.68578%0.778SS**  trans-50.9164.9174.673.30000119
143G29.5Very low33.6Very low77 Ų77124.3 Ų124.379%0.79478%0.783SS**  trans-169.699.2175.400000115.2
144V33.2Very low33.8Very low150 Ų150120.5 Ų120.591%0.90978%0.776SS**  trans-77.1120.7-172.8170.80000114.5
145G29.2Very low34.1Very low72 Ų72116.1 Ų116.174%0.74278%0.775SS**  76.2153.3119.200000123.2
146G30.1Very low34.1Very low85 Ų85119.2 Ų119.288%0.87679%0.788SS**  trans107.7144.7140.600000119.5
147G31.3Very low34.9Very low83 Ų83122.2 Ų122.286%0.85679%0.793SS**  trans100.697.5144.700000118.7
148S32.9Very low35.1Very low133 Ų133124.3 Ų124.393%0.9380%0.8SS**  trans-77.6124.6163.3-52.60000111.8
149A33.4Very low35.6Very low105 Ų105124.1 Ų124.187%0.86880%0.803SS**  trans-162.1124.7151.200000112.9
150L33.6Very low36.7Very low166 Ų166120.1 Ų120.187%0.86980%0.803SS**  trans-99.1175.8168.6-82.7167000109.2
151P61.2Low38Very low111 Ų111119.3 Ų119.372%0.72181%0.805SS**  cis-134.7-127.1-3237.9-17.1000108.6
152P64Low38.1Very low114 Ų114115.8 Ų115.874%0.7480%0.802SS**  -118.9169.7-52.936.4-23.2000113.1
153A32.9Very low38.3Very low95 Ų95117.2 Ų117.279%0.78581%0.806SS**  168.4140.3117.300000115.2
154A33.9Very low38.7Very low88 Ų88124.4 Ų124.473%0.72781%0.811SS**  trans50124.5144.700000122.9
155S35.8Very low39.1Very low109 Ų109120.6 Ų120.676%0.76280%0.802SS**  trans60.9123.2146.562.50000120.7
156M33.2Very low39.2Very low187 Ų187126.3 Ų126.392%0.92181%0.81SS**  -160.5162.1113-99.4-64.9175.600109.6
157V43.3Very low39.9Very low127 Ų127128 Ų12877%0.7781%0.808SS**  trans-108.5132.9175.4169.90000108.7
158M33.4Very low39.8Very low179 Ų179127.4 Ų127.488%0.88280%0.802SS**  trans-169.3158.5144-12857.1162.800112.5
159L38.2Very low40.7Very low156 Ų156130.9 Ų130.982%0.81780%0.8SS**  trans-135.1168.1171.9-87.3168.7000106.7
160P57.2Low41.2Very low108 Ų108134.9 Ų134.970%0.70180%0.801SS**  cis-127.7-132.7-2440.4-21.2000107.7
161P54.2Low41.6Very low121 Ų121131.1 Ų131.179%0.78679%0.794SS**  cis-118.1167.6-44.636.6-23.4000112.7
162G29.5Very low40.6Very low68 Ų68132.6 Ų132.670%0.70179%0.791SS**  trans-173.1115.8169.900000116.6
163V34.8Very low39.8Very low127 Ų127133.2 Ų133.277%0.7778%0.784SS**  trans33.1111.5147.6-159.50000118.9
164Y37.3Very low40.3Very low228 Ų228133.1 Ų133.189%0.89478%0.778SS**  -170.1155.5103.7-112.4-80.4000110.6
165G42.8Very low40.9Very low71 Ų71135.7 Ų135.773%0.73278%0.779SS**  trans-134.4114.5174.300000110.9
166E30.8Very low41.6Very low192 Ų192134.6 Ų134.690%0.89776%0.763SS**  trans-145156.5159.9-149.7-178138.500109.1G168E166-G168 PolarHBondContact O-N 2.9Å
167S45.2Very low42.4Very low120 Ų120131.5 Ų131.584%0.83976%0.756SS**  trans-90105.2-166.751.60000113.3
168G29.2Very low42.9Very low70 Ų70137.1 Ų137.172%0.72276%0.763SS**  trans-112.4121.5168.200000112.6E166E166-G168 PolarHBondContact O-N 2.9Å
169F50.2Low44.2Very low206 Ų206138 Ų13890%0.90476%0.756SS**  trans-76169157.2-110.6-114.5000109.6
170E45.5Very low45.3Very low190 Ų190139.3 Ų139.389%0.88876%0.756SS**SBendtrans61.869.7174.5-72.3-71.889.600116.7
171A41.3Very low45.7Very low87 Ų87139.1 Ų139.172%0.71976%0.756SS**  trans-150.5-31163.800000115H173A171-H173 PolarHBondContact O-N 3.38Å
172E40.7Very low47.2Very low141 Ų141138.1 Ų138.166%0.65975%0.748SS**THydrogen-bonded Turntrans-85.761.9-170.5-96.6-66.6112.500114.4
173H46.7Very low50.1Low127 Ų127140.2 Ų140.259%0.58874%0.743SS**THydrogen-bonded Turntrans-125.9-11.2171.4-145-86000115.2A171 K235A171-H173 PolarHBondContact O-N 3.38Å; H173-K235 PolarHBondContact CD2-NZ 3.11Å; H173-K235 VanDerWaalsContact CD2-NZ 3.34Å; H173-K235 WeakPolarHBondContact NE2-CE 3.45Å; H173-K235 PolarHBondContact NE2-NZ 3.37Å
174S43.4Very low52.8Low93 Ų93136.6 Ų136.665%0.6572%0.722SS**SBendtrans-101.5-14.4-168.2-59.90000115.7T177S174-T177 PolarHBondContact O-OG1 2.85Å
175L47.1Very low55.6Low143 Ų143130.7 Ų130.775%0.74971%0.709SS**SBendtrans-94-7.5-174-63.1-175.6000115.3
176L50.2Low58.1Low85 Ų85130.3 Ų130.345%0.44569%0.689SS.*SBendtrans-82.8-11.9176.9-75.8169.6000114R178 R179L176-R178 PolarHBondContact O-N 2.77Å; L176-R179 PolarHBondContact O-N 3.38Å
177T50Low61.1Low123 Ų123125.2 Ų125.276%0.75567%0.673SS**THydrogen-bonded Turntrans-64.91.7-167.9-300000115.7S174S174-T177 PolarHBondContact O-OG1 2.85Å
178R52.8Low63.6Low244 Ų244119.7 Ų119.792%0.92163%0.634SS**THydrogen-bonded Turntrans-1181.7173.4-152.3175.6-173.9-102.61.1114.5L176L176-R178 PolarHBondContact O-N 2.77Å
179R60.8Low66.7Low197 Ų197119.4 Ų119.474%0.74363%0.625SS**SBendtrans-79.6153.3163.2-67-177.3175.7165.3-0.2108.3L176L176-R179 PolarHBondContact O-N 3.38Å
180K61.9Low68.9Low185 Ų185109.9 Ų109.980%0.80458%0.584SS**  trans-52.9148.5172.3-97.577.2171.4-1740108.7V182K180-V182 PolarHBondContact O-N 3.15Å
181S66.3Low71.2Confident103 Ų103105.5 Ų105.572%0.7257%0.572SS**  trans-67.474.6172.157.20000110.7
182V85.1Confident73.6Confident101 Ų101103 Ų10361%0.61255%0.549SS*.PPolyproline II helixtrans-65.2137.6173.3175.20000108.1K180 T184K180-V182 PolarHBondContact O-N 3.15Å; V182-T184 PolarHBondContact O-N 2.78Å
183N89.3Confident76.1Confident112 Ų112100.3 Ų100.360%0.59955%0.546SS*.PPolyproline II helixtrans-68.3117.4175.144.9-9.5000110.4T232 G233N183-T232 HydrophobicContact CB-CG2 4.42Å; N183-G233 CarbonylContact C-O 3.3Å; N183-G233 WeakPolarHBondContact CA-O 3.29Å
184T93Very high78.3Confident51 Ų5199.4 Ų99.431%0.31354%0.542SS..EExtended strand (participates in β ladder)trans-85.6144.5175.350.50000110.4V182 T232 G233 K235V182-T184 PolarHBondContact O-N 2.78Å; T184-T232 WeakPolarHBondContact O-CA 3.35Å; T184-G233 PolarHBondContact N-O 2.86Å; T184-G233 PolarHBondContact O-N 3.37Å; T184-G233 VanDerWaalsContact O-N 3.15Å; T184-G233 PolarHBondContact OG1-O 3.06Å; T184-K235 HydrophobicContact CG2-CB 4.31Å; T184-K235 HydrophobicContact CG2-CG 4.39Å; T184-K235 WeakPolarHBondContact OG1-CA 3.43Å
185T95Very high80.7Confident104 Ų10495.8 Ų95.864%0.63852%0.515SS*.EExtended strand (participates in β ladder)trans-110.4134.2172.749.30000110.1V231 T232T185-V231 CarbonylContact C-O 3.55Å; T185-V231 WeakPolarHBondContact CA-O 3.25Å; T185-T232 HydrophobicContact CG2-CG2 3.85Å
186E95.4Very high82.9Confident63 Ų6389.6 Ų89.629%0.29448%0.483SS..EExtended strand (participates in β ladder)trans-139.7142.1177.7-167.6170.6-15600111.7V231 V238 K242E186-V231 PolarHBondContact N-O 3.05Å; E186-V231 PolarHBondContact O-N 2.92Å; E186-V238 HydrophobicContact CB-CG1 3.59Å; E186-K242 HydrophobicContact CG-CD 4.24Å; E186-K242 VanDerWaalsContact OE1-CD 3.3Å; E186-K242 WeakPolarHBondContact OE1-CD 3.25Å; E186-K242 IonicContact OE1-NZ 2.71Å; E186-K242 PolarHBondContact OE1-NZ 2.91Å; E186-K242 WeakPolarHBondContact OE2-CD 3.38Å
187C94.8Very high85Confident85 Ų8588.4 Ų88.457%0.57449%0.485SS*.EExtended strand (participates in β ladder)trans-99.5129.3178.2-66.70000110.5V228 F229C187-V228 HydrophobicContact CB-CG1 3.79Å; C187-F229 WeakPolarHBondContact CA-O 3.41Å
188V96.3Very high87.1Confident3 Ų385.6 Ų85.62%0.01846%0.463CS..EExtended strand (participates in β ladder)trans-119.5102.9-177.9-169.50000109.2V228 F229 V231 K242 I245 L246V188-V228 WeakPolarHBondContact O-CA 3.39Å; V188-F229 HydrophobicContact CB-CB 4.48Å; V188-F229 PolarHBondContact N-O 3.13Å; V188-F229 PolarHBondContact O-N 3.42Å; V188-V231 HydrophobicContact CG2-CG2 3.86Å; V188-K242 HydrophobicContact CG1-CG 4.26Å; V188-K242 HydrophobicContact CG2-CB 3.8Å; V188-K242 HydrophobicContact CG2-CD 4.22Å; V188-K242 HydrophobicContact CG2-CG 3.84Å; V188-I245 HydrophobicContact CB-CG2 4.29Å; V188-I245 HydrophobicContact CG1-CB 4.04Å; V188-I245 HydrophobicContact CG1-CG2 3.61Å; V188-L246 HydrophobicContact CG1-CD1 4.43Å; V188-L246 HydrophobicContact CG1-CD2 3.86Å; V188-L246 HydrophobicContact CG1-CG 3.8Å
189A95.9Very high89.1Confident64 Ų6474.3 Ų74.353%0.52942%0.421SS..EExtended strand (participates in β ladder)trans-74.5144.2175.300000111.4V228 L246A189-V228 HydrophobicContact CB-CG2 4.02Å; A189-L246 WeakPolarHBondContact O-CD2 3.39Å
190V95.6Very high90.8Very high7 Ų766.2 Ų66.24%0.04239%0.394CS..  trans-130.8141.7-177.61670000109S192 H195 V196 I199 P227 F229 I245 A249V190-S192 VanDerWaalsContact C-N 3.26Å; V190-S192 PolarHBondContact O-N 2.83Å; V190-H195 HydrophobicContact CG1-CB 3.46Å; V190-H195 VanDerWaalsContact CG1-CB 3.46Å; V190-V196 HydrophobicContact CB-CG2 4.14Å; V190-V196 HydrophobicContact CG1-CG2 4Å; V190-I199 HydrophobicContact CG1-CD1 4.04Å; V190-I199 HydrophobicContact CG2-CD1 4.16Å; V190-P227 PolarHBondContact N-O 2.8Å; V190-P227 WeakPolarHBondContact O-CB 3.39Å; V190-P227 WeakPolarHBondContact O-CG 3.27Å; V190-F229 HydrophobicContact CG2-CD2 3.91Å; V190-F229 HydrophobicContact CG2-CE2 3.94Å; V190-I245 HydrophobicContact CG2-CG2 3.72Å; V190-A249 HydrophobicContact CG1-CB 4.01Å; V190-A249 HydrophobicContact CG2-CB 4.37Å
191P92.9Very high92.3Very high98 Ų9858.3 Ų58.364%0.63636%0.364SS*.SBendtrans-63.8-20.8-165.3-26.336.1000116.5
192S92.4Very high93.6Very high35 Ų3564.3 Ų64.325%0.24537%0.371CS..  trans-155.5162.1173780000112.5V190 E194 H195 V196V190-S192 VanDerWaalsContact C-N 3.26Å; V190-S192 PolarHBondContact O-N 2.83Å; S192-E194 PolarHBondContact O-N 2.82Å; S192-E194 PolarHBondContact OG-N 2.86Å; S192-H195 PolarHBondContact O-N 2.74Å; S192-H195 PolarHBondContact OG-N 2.98Å; S192-H195 PolarHBondContact OG-ND1 2.83Å; S192-V196 PolarHBondContact O-N 3.47Å
193S92.8Very high93.9Very high84 Ų8467.9 Ų67.959%0.58738%0.381SS*.Hα-helixtrans-63.5-19.2171.252.60000113.5A197S193-A197 PolarHBondContact O-N 2.85Å; S193-A197 VanDerWaalsContact O-N 3.15Å
194E93Very high94.1Very high108 Ų10863.2 Ų63.251%0.50536%0.359SS..Hα-helixtrans-75.6-42.8175-136.2-171.5149.700111.4S192 V196 A197 E198 R256S192-E194 PolarHBondContact O-N 2.82Å; S192-E194 PolarHBondContact OG-N 2.86Å; E194-V196 VanDerWaalsContact C-N 3.29Å; E194-V196 PolarHBondContact O-N 3.4Å; E194-A197 WeakPolarHBondContact O-CB 3.18Å; E194-A197 PolarHBondContact O-N 3.37Å; E194-A197 VanDerWaalsContact O-N 3.1Å; E194-E198 PolarHBondContact O-N 2.81Å; E194-R256 VanDerWaalsContact CD-CZ 3.46Å; E194-R256 IonicContact OE1-CZ 3.54Å; E194-R256 IonicContact OE1-NH1 3.67Å; E194-R256 PolarHBondContact OE1-NH1 2.84Å; E194-R256 VanDerWaalsContact OE1-NH1 3.1Å; E194-R256 IonicContact OE1-NH2 3.49Å; E194-R256 PolarHBondContact OE1-NH2 3.32Å; E194-R256 IonicContact OE2-CZ 3.38Å; E194-R256 IonicContact OE2-NH1 2.76Å; E194-R256 PolarHBondContact OE2-NH1 2.61Å; E194-R256 IonicContact OE2-NH2 3.55Å
195H93.9Very high94.2Very high17 Ų1764.2 Ų64.28%0.07937%0.368CS..Hα-helixtrans-61-38.7170.7-64118.9000111.4V190 S192 A197 E198 I199 S253 R256V190-H195 HydrophobicContact CG1-CB 3.46Å; V190-H195 VanDerWaalsContact CG1-CB 3.46Å; S192-H195 PolarHBondContact O-N 2.74Å; S192-H195 PolarHBondContact OG-N 2.98Å; S192-H195 PolarHBondContact OG-ND1 2.83Å; H195-A197 VanDerWaalsContact C-N 3.33Å; H195-A197 PolarHBondContact O-N 2.78Å; H195-E198 PolarHBondContact O-N 3.26Å; H195-I199 WeakPolarHBondContact O-CB 3.41Å; H195-I199 WeakPolarHBondContact O-CD1 3.5Å; H195-I199 WeakPolarHBondContact O-CG1 3.45Å; H195-I199 PolarHBondContact O-N 2.9Å; H195-S253 PolarHBondContact CE1-OG 2.92Å; H195-S253 PolarHBondContact NE2-OG 3.12Å; H195-R256 VanDerWaalsContact NE2-CD 3.31Å; H195-R256 WeakPolarHBondContact NE2-CD 3.47Å
196V94.6Very high94.3Very high13 Ų1363.8 Ų63.88%0.07936%0.357CS..Hα-helixtrans-56.4-46.1171.41710000111.1V190 S192 E194 E198 I199 V200 T220 P221 P227 F229V190-V196 HydrophobicContact CB-CG2 4.14Å; V190-V196 HydrophobicContact CG1-CG2 4Å; S192-V196 PolarHBondContact O-N 3.47Å; E194-V196 VanDerWaalsContact C-N 3.29Å; E194-V196 PolarHBondContact O-N 3.4Å; V196-E198 PolarHBondContact O-N 3.46Å; V196-I199 PolarHBondContact O-N 3.31Å; V196-V200 HydrophobicContact CG1-CG2 4.38Å; V196-V200 WeakPolarHBondContact O-CB 3.32Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.36Å; V196-T220 HydrophobicContact CG1-CG2 4.38Å; V196-P221 HydrophobicContact CG1-CG 4.05Å; V196-P221 HydrophobicContact CG2-CG 4.49Å; V196-P227 HydrophobicContact CG2-CB 3.52Å; V196-F229 HydrophobicContact CB-CE2 4.37Å; V196-F229 HydrophobicContact CB-CZ 4.26Å; V196-F229 HydrophobicContact CG1-CE1 4.37Å; V196-F229 HydrophobicContact CG1-CE2 4.27Å; V196-F229 HydrophobicContact CG1-CZ 3.78Å; V196-F229 HydrophobicContact CG2-CE2 3.92Å; V196-F229 HydrophobicContact CG2-CZ 4.27Å
197A94Very high94.3Very high60 Ų6061 Ų6150%0.49634%0.344SS..Hα-helixtrans-64-38.1177.500000112.8S193 E194 H195 V200 G201S193-A197 PolarHBondContact O-N 2.85Å; S193-A197 VanDerWaalsContact O-N 3.15Å; E194-A197 WeakPolarHBondContact O-CB 3.18Å; E194-A197 PolarHBondContact O-N 3.37Å; E194-A197 VanDerWaalsContact O-N 3.1Å; H195-A197 VanDerWaalsContact C-N 3.33Å; H195-A197 PolarHBondContact O-N 2.78Å; A197-V200 PolarHBondContact O-N 2.89Å; A197-G201 PolarHBondContact O-N 2.96Å
198E93.9Very high94.4Very high63 Ų6363 Ų6329%0.29434%0.343SS..Hα-helixtrans-72.4-32.6178-71.3-178.3154.800113.3E194 H195 V196 K206 F252 R256E194-E198 PolarHBondContact O-N 2.81Å; H195-E198 PolarHBondContact O-N 3.26Å; V196-E198 PolarHBondContact O-N 3.46Å; E198-K206 VanDerWaalsContact O-CD 3.26Å; E198-K206 WeakPolarHBondContact O-CD 3.4Å; E198-K206 WeakPolarHBondContact O-CE 3.44Å; E198-K206 PolarHBondContact O-NZ 2.86Å; E198-F252 HydrophobicContact CB-CD2 3.84Å; E198-F252 HydrophobicContact CB-CE2 4.09Å; E198-F252 HydrophobicContact CB-CG 4.14Å; E198-R256 IonicContact OE1-CZ 3.51Å; E198-R256 IonicContact OE1-NE 2.83Å; E198-R256 PolarHBondContact OE1-NE 3.32Å; E198-R256 IonicContact OE1-NH2 2.61Å; E198-R256 PolarHBondContact OE1-NH2 3.22Å; E198-R256 IonicContact OE2-CZ 3.1Å; E198-R256 IonicContact OE2-NE 3.34Å; E198-R256 PolarHBondContact OE2-NE 2.99Å; E198-R256 IonicContact OE2-NH2 2.75Å; E198-R256 PolarHBondContact OE2-NH2 3.1Å
199I95.1Very high94.4Very high7 Ų765.8 Ų65.84%0.03637%0.366CS..Hα-helixtrans-71.3-40172-67.9163.5000110.8V190 H195 V196 K206 F229 I245 A248 A249 F252V190-I199 HydrophobicContact CG1-CD1 4.04Å; V190-I199 HydrophobicContact CG2-CD1 4.16Å; H195-I199 WeakPolarHBondContact O-CB 3.41Å; H195-I199 WeakPolarHBondContact O-CD1 3.5Å; H195-I199 WeakPolarHBondContact O-CG1 3.45Å; H195-I199 PolarHBondContact O-N 2.9Å; V196-I199 PolarHBondContact O-N 3.31Å; I199-K206 WeakPolarHBondContact O-CB 3.3Å; I199-F229 HydrophobicContact CB-CE2 4.49Å; I199-F229 HydrophobicContact CB-CZ 4.22Å; I199-F229 HydrophobicContact CD1-CE2 4.26Å; I199-F229 HydrophobicContact CG2-CE2 4.14Å; I199-F229 HydrophobicContact CG2-CZ 3.84Å; I199-I245 HydrophobicContact CD1-CG2 4.42Å; I199-A248 HydrophobicContact CG1-CB 4.02Å; I199-A249 HydrophobicContact CD1-CB 4.02Å; I199-F252 HydrophobicContact CG1-CD2 3.98Å; I199-F252 HydrophobicContact CG1-CE2 3.82Å
200V95.4Very high94.4Very high28 Ų2864 Ų6417%0.1735%0.348CS..Hα-helixtrans-66.2-44.2176168.50000111.6V196 A197 G204 K206 I207 T220 F229V196-V200 HydrophobicContact CG1-CG2 4.38Å; V196-V200 WeakPolarHBondContact O-CB 3.32Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.36Å; A197-V200 PolarHBondContact O-N 2.89Å; V200-G204 CarbonylContact O-C 3.43Å; V200-G204 VanDerWaalsContact O-C 3.3Å; V200-G204 VanDerWaalsContact O-CA 3.31Å; V200-G204 WeakPolarHBondContact O-CA 3.36Å; V200-K206 PolarHBondContact O-N 3.41Å; V200-I207 HydrophobicContact CB-CG2 4.39Å; V200-I207 HydrophobicContact CG1-CG2 4.03Å; V200-I207 HydrophobicContact CG2-CG2 4.39Å; V200-I207 PolarHBondContact O-N 3.28Å; V200-T220 HydrophobicContact CG2-CG2 3.51Å; V200-F229 HydrophobicContact CG2-CE1 4.06Å; V200-F229 HydrophobicContact CG2-CZ 4.15Å
201G94.1Very high94.5Very high18 Ų1867.3 Ų67.319%0.18636%0.36CS..  trans74.2169.7-179.800000114.2A197 Q203 G204A197-G201 PolarHBondContact O-N 2.96Å; G201-Q203 PolarHBondContact O-N 3.1Å; G201-G204 PolarHBondContact O-N 2.72Å
202R93.2Very high94.6Very high230 Ų23066.1 Ų66.187%0.86836%0.358SS*.G310 helixtrans-57.7131.1179.6-62.7-178.4-179.7-178.5-0.4110.2G204 C205R202-G204 PolarHBondContact O-N 2.75Å; R202-C205 WeakPolarHBondContact O-CB 3.21Å; R202-C205 PolarHBondContact O-N 3.43Å; R202-C205 PolarHBondContact O-SG 3.15Å
203Q91.6Very high94.8Very high176 Ų17670.4 Ų70.482%0.82237%0.372SS*.G310 helixtrans52.322.9-174.9-48.2-58.952.800115.4G201 C205 K208G201-Q203 PolarHBondContact O-N 3.1Å; Q203-C205 VanDerWaalsContact C-N 3.25Å; Q203-C205 PolarHBondContact O-N 3.29Å; Q203-K208 PolarHBondContact O-NZ 2.79Å; Q203-K208 VanDerWaalsContact O-NZ 3.11Å
204G93.8Very high94.9Very high13 Ų1366.4 Ų66.413%0.13434%0.344CS..G310 helixtrans66.820.8-176.400000114.2V200 G201 R202 K206 I207 K208V200-G204 CarbonylContact O-C 3.43Å; V200-G204 VanDerWaalsContact O-C 3.3Å; V200-G204 VanDerWaalsContact O-CA 3.31Å; V200-G204 WeakPolarHBondContact O-CA 3.36Å; G201-G204 PolarHBondContact O-N 2.72Å; R202-G204 PolarHBondContact O-N 2.75Å; G204-K206 PolarHBondContact O-N 3.29Å; G204-I207 WeakPolarHBondContact O-CG2 3.33Å; G204-I207 PolarHBondContact O-N 3.26Å; G204-K208 WeakPolarHBondContact O-CB 3.41Å; G204-K208 WeakPolarHBondContact O-CD 3.19Å; G204-K208 VanDerWaalsContact O-CG 3.25Å; G204-K208 WeakPolarHBondContact O-CG 3.3Å; G204-K208 PolarHBondContact O-N 3Å
205C95.8Very high95Very high72 Ų7266.5 Ų66.549%0.48635%0.348SS..Hα-helixtrans-61.6-41.2-173.565.60000113R202 Q203 A209R202-C205 WeakPolarHBondContact O-CB 3.21Å; R202-C205 PolarHBondContact O-N 3.43Å; R202-C205 PolarHBondContact O-SG 3.15Å; Q203-C205 VanDerWaalsContact C-N 3.25Å; Q203-C205 PolarHBondContact O-N 3.29Å; C205-A209 PolarHBondContact O-N 3.42Å
206K95.8Very high95.1Very high95 Ų9566 Ų6641%0.41335%0.346SS..Hα-helixtrans-67.6-48.6179.2-69.2-177.5-176.7178.90111.3E198 I199 V200 G204 K208 A209 L210 F252E198-K206 VanDerWaalsContact O-CD 3.26Å; E198-K206 WeakPolarHBondContact O-CD 3.4Å; E198-K206 WeakPolarHBondContact O-CE 3.44Å; E198-K206 PolarHBondContact O-NZ 2.86Å; I199-K206 WeakPolarHBondContact O-CB 3.3Å; V200-K206 PolarHBondContact O-N 3.41Å; G204-K206 PolarHBondContact O-N 3.29Å; K206-K208 VanDerWaalsContact C-N 3.3Å; K206-K208 PolarHBondContact O-N 3.41Å; K206-A209 WeakPolarHBondContact O-CB 3.44Å; K206-A209 PolarHBondContact O-N 3.15Å; K206-A209 VanDerWaalsContact O-N 3.15Å; K206-L210 WeakPolarHBondContact O-CB 3.19Å; K206-L210 PolarHBondContact O-N 3.08Å; K206-F252 VanDerWaalsContact NZ-CZ 3.32Å
207I96.1Very high95.2Very high5 Ų572.6 Ų72.63%0.02637%0.371CS..Hα-helixtrans-67.2-30.9179.4-167.265.3000112.4V200 G204 L210 R211 I218 F229V200-I207 HydrophobicContact CB-CG2 4.39Å; V200-I207 HydrophobicContact CG1-CG2 4.03Å; V200-I207 HydrophobicContact CG2-CG2 4.39Å; V200-I207 PolarHBondContact O-N 3.28Å; G204-I207 WeakPolarHBondContact O-CG2 3.33Å; G204-I207 PolarHBondContact O-N 3.26Å; I207-L210 HydrophobicContact CD1-CB 4.4Å; I207-L210 HydrophobicContact CD1-CD2 4.08Å; I207-L210 PolarHBondContact O-N 3.43Å; I207-R211 WeakPolarHBondContact O-CB 3.44Å; I207-R211 VanDerWaalsContact O-CG 3.23Å; I207-R211 WeakPolarHBondContact O-CG 3.38Å; I207-R211 PolarHBondContact O-N 3.27Å; I207-I218 HydrophobicContact CD1-CB 4.08Å; I207-I218 HydrophobicContact CD1-CD1 3.78Å; I207-I218 HydrophobicContact CD1-CG2 3.9Å; I207-F229 HydrophobicContact CD1-CE1 4.31Å
208K96.3Very high95.4Very high128 Ų12869.7 Ų69.756%0.55735%0.347SS*.Hα-helixtrans-62.7-47.2169.3-75.8166.5179.5163.90111.5Q203 G204 K206 L210 R211 A212Q203-K208 PolarHBondContact O-NZ 2.79Å; Q203-K208 VanDerWaalsContact O-NZ 3.11Å; G204-K208 WeakPolarHBondContact O-CB 3.41Å; G204-K208 WeakPolarHBondContact O-CD 3.19Å; G204-K208 VanDerWaalsContact O-CG 3.25Å; G204-K208 WeakPolarHBondContact O-CG 3.3Å; G204-K208 PolarHBondContact O-N 3Å; K206-K208 VanDerWaalsContact C-N 3.3Å; K206-K208 PolarHBondContact O-N 3.41Å; K208-L210 VanDerWaalsContact C-N 3.33Å; K208-L210 PolarHBondContact O-N 3.19Å; K208-R211 PolarHBondContact O-N 3.03Å; K208-A212 WeakPolarHBondContact O-CB 3.23Å; K208-A212 PolarHBondContact O-N 2.82Å
209A96.4Very high95.5Very high61 Ų6172.1 Ų72.150%0.50436%0.356SS..Hα-helixtrans-62.4-39175.300000112.2C205 K206 A212 K213C205-A209 PolarHBondContact O-N 3.42Å; K206-A209 WeakPolarHBondContact O-CB 3.44Å; K206-A209 PolarHBondContact O-N 3.15Å; K206-A209 VanDerWaalsContact O-N 3.15Å; A209-A212 PolarHBondContact O-N 3.34Å; A209-K213 VanDerWaalsContact O-CB 3.26Å; A209-K213 WeakPolarHBondContact O-CB 3.33Å; A209-K213 PolarHBondContact O-N 2.88Å
210L96.3Very high95.5Very high27 Ų2773.7 Ų73.714%0.14137%0.366CS..Hα-helixtrans-66.5-45.2178.8-156.774000112.2K206 I207 K208 A212 K213 T214 I218 E244 I245K206-L210 WeakPolarHBondContact O-CB 3.19Å; K206-L210 PolarHBondContact O-N 3.08Å; I207-L210 HydrophobicContact CD1-CB 4.4Å; I207-L210 HydrophobicContact CD1-CD2 4.08Å; I207-L210 PolarHBondContact O-N 3.43Å; K208-L210 VanDerWaalsContact C-N 3.33Å; K208-L210 PolarHBondContact O-N 3.19Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 2.93Å; L210-K213 PolarHBondContact O-N 2.86Å; L210-T214 WeakPolarHBondContact O-CB 3.38Å; L210-T214 WeakPolarHBondContact O-CG2 3.47Å; L210-T214 PolarHBondContact O-N 3.28Å; L210-T214 PolarHBondContact O-OG1 2.89Å; L210-I218 HydrophobicContact CB-CD1 4.46Å; L210-I218 HydrophobicContact CD2-CD1 4Å; L210-I218 HydrophobicContact CG-CD1 4.29Å; L210-E244 HydrophobicContact CD1-CB 3.88Å; L210-E244 WeakPolarHBondContact CD1-OE2 3.24Å; L210-I245 HydrophobicContact CD2-CD1 4.46Å; L210-I245 HydrophobicContact CD2-CG1 3.73Å
211R96.6Very high95.4Very high76 Ų7673.1 Ų73.129%0.28736%0.364SS..Hα-helixtrans-58.9-43.4172.4-71.5173.6-171.1163.86.1111.6I207 K208 N215 T216 I218I207-R211 WeakPolarHBondContact O-CB 3.44Å; I207-R211 VanDerWaalsContact O-CG 3.23Å; I207-R211 WeakPolarHBondContact O-CG 3.38Å; I207-R211 PolarHBondContact O-N 3.27Å; K208-R211 PolarHBondContact O-N 3.03Å; R211-N215 VanDerWaalsContact O-CA 3.28Å; R211-N215 WeakPolarHBondContact O-CA 3.47Å; R211-N215 PolarHBondContact O-N 3.18Å; R211-T216 WeakPolarHBondContact CB-O 3.23Å; R211-T216 WeakPolarHBondContact CG-O 3.41Å; R211-T216 PolarHBondContact O-N 3.3Å; R211-I218 HydrophobicContact CG-CB 3.99Å; R211-I218 HydrophobicContact CG-CD1 3.88Å; R211-I218 HydrophobicContact CG-CG1 3.89Å; R211-I218 PolarHBondContact NE-O 3.15Å; R211-I218 PolarHBondContact NH2-O 2.84Å
212A96.4Very high95.2Very high72 Ų7276.7 Ų76.760%0.59538%0.382SS*.Hα-helixtrans-68.7-41.2178.600000112.9K208 A209 L210K208-A212 WeakPolarHBondContact O-CB 3.23Å; K208-A212 PolarHBondContact O-N 2.82Å; A209-A212 PolarHBondContact O-N 3.34Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 2.93Å
213K95.4Very high94.7Very high125 Ų12578.2 Ų78.254%0.54339%0.387SS..Hα-helixtrans-65.3-40.9178178.6179.9171.8-169.60112.5A209 L210 E244A209-K213 VanDerWaalsContact O-CB 3.26Å; A209-K213 WeakPolarHBondContact O-CB 3.33Å; A209-K213 PolarHBondContact O-N 2.88Å; L210-K213 PolarHBondContact O-N 2.86Å; K213-E244 WeakPolarHBondContact CD-OE2 3.38Å; K213-E244 VanDerWaalsContact CE-OE2 3.3Å; K213-E244 WeakPolarHBondContact CE-OE2 3.33Å; K213-E244 IonicContact NZ-OE1 2.62Å; K213-E244 PolarHBondContact NZ-OE1 3.47Å; K213-E244 IonicContact NZ-OE2 2.97Å; K213-E244 PolarHBondContact NZ-OE2 2.83Å
214T95.6Very high94.3Very high0 Ų073.5 Ų73.50%039%0.386CS..Hα-helixtrans-96.8-3.9-175.361.30000113.5L210 T216 D237 M240 A241L210-T214 WeakPolarHBondContact O-CB 3.38Å; L210-T214 WeakPolarHBondContact O-CG2 3.47Å; L210-T214 PolarHBondContact O-N 3.28Å; L210-T214 PolarHBondContact O-OG1 2.89Å; T214-T216 PolarHBondContact O-N 3.01Å; T214-T216 VanDerWaalsContact O-N 3.1Å; T214-T216 PolarHBondContact OG1-OG1 3.41Å; T214-D237 WeakPolarHBondContact O-CB 3.23Å; T214-M240 HydrophobicContact CG2-CB 4.44Å; T214-M240 HydrophobicContact CG2-CG 4.18Å; T214-M240 HydrophobicContact CG2-SD 4.07Å; T214-A241 HydrophobicContact CG2-CB 3.97Å
215N95.4Very high94.2Very high111 Ų11178 Ų7859%0.59440%0.404SS*.THydrogen-bonded Turntrans5423.1-172.8-55.4-78.6000114.6R211R211-N215 VanDerWaalsContact O-CA 3.28Å; R211-N215 WeakPolarHBondContact O-CA 3.47Å; R211-N215 PolarHBondContact O-N 3.18Å
216T96.3Very high94Very high7 Ų781.5 Ų81.54%0.04341%0.413CS..  trans-99.4148.4179.761.10000112.9R211 T214 I218 V231 D237 V238 A241R211-T216 WeakPolarHBondContact CB-O 3.23Å; R211-T216 WeakPolarHBondContact CG-O 3.41Å; R211-T216 PolarHBondContact O-N 3.3Å; T214-T216 PolarHBondContact O-N 3.01Å; T214-T216 VanDerWaalsContact O-N 3.1Å; T214-T216 PolarHBondContact OG1-OG1 3.41Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.3Å; T216-I218 VanDerWaalsContact OG1-CG1 3.23Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.15Å; T216-V231 HydrophobicContact CG2-CG1 3.85Å; T216-D237 HydrophobicContact CG2-CB 3.77Å; T216-D237 WeakPolarHBondContact CG2-O 3.5Å; T216-V238 HydrophobicContact CG2-CG2 4.2Å; T216-A241 HydrophobicContact CG2-CB 3.92Å
217Y96.8Very high94Very high150 Ų15077.9 Ų77.959%0.58840%0.399SS*.EExtended strand (participates in β ladder)trans-86.1111.6162.4179.4-90.3000109.1K219 T232Y217-K219 HydrophobicContact CE1-CB 4.2Å; Y217-T232 PolarHBondContact N-O 3.1Å; Y217-T232 PolarHBondContact O-N 3.03Å
218I96.9Very high94Very high0 Ų079.5 Ų79.50%041%0.409CS..EExtended strand (participates in β ladder)trans-109.5103.2-179.3-51.4167.6000109.6I207 L210 R211 T216 T220 F229 V230 V231 A241 I245I207-I218 HydrophobicContact CD1-CB 4.08Å; I207-I218 HydrophobicContact CD1-CD1 3.78Å; I207-I218 HydrophobicContact CD1-CG2 3.9Å; L210-I218 HydrophobicContact CB-CD1 4.46Å; L210-I218 HydrophobicContact CD2-CD1 4Å; L210-I218 HydrophobicContact CG-CD1 4.29Å; R211-I218 HydrophobicContact CG-CB 3.99Å; R211-I218 HydrophobicContact CG-CD1 3.88Å; R211-I218 HydrophobicContact CG-CG1 3.89Å; R211-I218 PolarHBondContact NE-O 3.15Å; R211-I218 PolarHBondContact NH2-O 2.84Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.3Å; T216-I218 VanDerWaalsContact OG1-CG1 3.23Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.15Å; I218-T220 PolarHBondContact O-N 3.44Å; I218-F229 HydrophobicContact CG2-CB 4Å; I218-F229 HydrophobicContact CG2-CD1 3.76Å; I218-F229 HydrophobicContact CG2-CG 4.24Å; I218-V230 CarbonylContact C-O 3.55Å; I218-V230 WeakPolarHBondContact CA-O 3.37Å; I218-V231 HydrophobicContact CG1-CG1 4.25Å; I218-V231 HydrophobicContact CG1-CG2 4.33Å; I218-V231 HydrophobicContact CG2-CG2 4.16Å; I218-A241 HydrophobicContact CD1-CB 4.39Å; I218-I245 HydrophobicContact CD1-CD1 4.37Å; I218-I245 HydrophobicContact CG2-CD1 4.19Å
219K96Very high94Very high113 Ų11373.4 Ų73.449%0.49138%0.383SS..EExtended strand (participates in β ladder)trans-67.8123.2170.1-169.6-172.2176.8-168.40108.9Y217 F229 V230Y217-K219 HydrophobicContact CE1-CB 4.2Å; K219-F229 WeakPolarHBondContact O-CA 3.42Å; K219-V230 HydrophobicContact CB-CB 4.15Å; K219-V230 PolarHBondContact N-O 3.3Å; K219-V230 PolarHBondContact O-N 3.12Å; K219-V230 VanDerWaalsContact O-N 3.15Å
220T94.8Very high94Very high40 Ų4072.9 Ų72.925%0.24537%0.373CS..PPolyproline II helixtrans-83.5132.5171-53.30000108.5V196 V200 I218 F229V196-T220 HydrophobicContact CG1-CG2 4.38Å; V200-T220 HydrophobicContact CG2-CG2 3.51Å; I218-T220 PolarHBondContact O-N 3.44Å; T220-F229 HydrophobicContact CG2-CE1 4.04Å
221P94Very high94Very high17 Ų1771.6 Ų71.611%0.1137%0.366CS..PPolyproline II helixtrans-66.7150.8173.229.3-34.3000110.2V196 E225 Q226 V228V196-P221 HydrophobicContact CG1-CG 4.05Å; V196-P221 HydrophobicContact CG2-CG 4.49Å; P221-E225 HydrophobicContact CB-CB 4.47Å; P221-Q226 WeakPolarHBondContact CB-O 3.49Å; P221-V228 WeakPolarHBondContact CD-O 3.44Å; P221-V228 WeakPolarHBondContact CG-O 3.22Å
222V89.4Confident94Very high93 Ų9369.7 Ų69.756%0.56436%0.363SS*.PPolyproline II helixtrans-78.1158.8179.4-590000111.6G224 E225V222-G224 PolarHBondContact O-N 3.25Å; V222-E225 HydrophobicContact CG2-CB 4.27Å; V222-E225 VanDerWaalsContact CG2-CD 3.4Å; V222-E225 HydrophobicContact CG2-CG 3.64Å; V222-E225 PolarHBondContact N-OE2 3.47Å; V222-E225 PolarHBondContact O-N 3.17Å
223R83.1Confident94Very high261 Ų26166.8 Ų66.899%0.98534%0.34SS*.THydrogen-bonded Turntrans-68.494.7-175.4-176.8-177.6177.4-175.7-1.8110.8
224G83.1Confident93.9Very high78 Ų7866 Ų6680%0.80433%0.334SS*.THydrogen-bonded Turntrans133.4-18.2-177.200000113.3V222V222-G224 PolarHBondContact O-N 3.25Å
225E91.3Very high93.8Very high108 Ų10870.4 Ų70.451%0.50535%0.353SS..SBendtrans-78.6169.7169.3-77.6179173.200112.1P221 V222P221-E225 HydrophobicContact CB-CB 4.47Å; V222-E225 HydrophobicContact CG2-CB 4.27Å; V222-E225 VanDerWaalsContact CG2-CD 3.4Å; V222-E225 HydrophobicContact CG2-CG 3.64Å; V222-E225 PolarHBondContact N-OE2 3.47Å; V222-E225 PolarHBondContact O-N 3.17Å
226Q92.1Very high93.8Very high144 Ų14470.4 Ų70.467%0.67335%0.349SS*.  trans-53.9135.7172-171.567.51000110.9P221 V228P221-Q226 WeakPolarHBondContact CB-O 3.49Å; Q226-V228 HydrophobicContact CG-CG2 3.88Å; Q226-V228 PolarHBondContact O-N 2.83Å
227P95.1Very high93.7Very high19 Ų1970.6 Ų70.612%0.12335%0.35CS..SBendtrans-72.568.9178.930.2-37.7000112.7V190 V196V190-P227 PolarHBondContact N-O 2.8Å; V190-P227 WeakPolarHBondContact O-CB 3.39Å; V190-P227 WeakPolarHBondContact O-CG 3.27Å; V196-P227 HydrophobicContact CG2-CB 3.52Å
228V95.9Very high93.7Very high39 Ų3963.6 Ų63.624%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-122.6120.2176.2172.30000109.5C187 V188 A189 P221 Q226C187-V228 HydrophobicContact CB-CG1 3.79Å; V188-V228 WeakPolarHBondContact O-CA 3.39Å; A189-V228 HydrophobicContact CB-CG2 4.02Å; P221-V228 WeakPolarHBondContact CD-O 3.44Å; P221-V228 WeakPolarHBondContact CG-O 3.22Å; Q226-V228 HydrophobicContact CG-CG2 3.88Å; Q226-V228 PolarHBondContact O-N 2.83Å
229F96.6Very high93.7Very high0 Ų066 Ų660%034%0.343CS..EExtended strand (participates in β ladder)trans-81140.2166.7-68.2-85.6000109.8C187 V188 V190 V196 I199 V200 I207 I218 K219 T220 I245C187-F229 WeakPolarHBondContact CA-O 3.41Å; V188-F229 HydrophobicContact CB-CB 4.48Å; V188-F229 PolarHBondContact N-O 3.13Å; V188-F229 PolarHBondContact O-N 3.42Å; V190-F229 HydrophobicContact CG2-CD2 3.91Å; V190-F229 HydrophobicContact CG2-CE2 3.94Å; V196-F229 HydrophobicContact CB-CE2 4.37Å; V196-F229 HydrophobicContact CB-CZ 4.26Å; V196-F229 HydrophobicContact CG1-CE1 4.37Å; V196-F229 HydrophobicContact CG1-CE2 4.27Å; V196-F229 HydrophobicContact CG1-CZ 3.78Å; V196-F229 HydrophobicContact CG2-CE2 3.92Å; V196-F229 HydrophobicContact CG2-CZ 4.27Å; I199-F229 HydrophobicContact CB-CE2 4.49Å; I199-F229 HydrophobicContact CB-CZ 4.22Å; I199-F229 HydrophobicContact CD1-CE2 4.26Å; I199-F229 HydrophobicContact CG2-CE2 4.14Å; I199-F229 HydrophobicContact CG2-CZ 3.84Å; V200-F229 HydrophobicContact CG2-CE1 4.06Å; V200-F229 HydrophobicContact CG2-CZ 4.15Å; I207-F229 HydrophobicContact CD1-CE1 4.31Å; I218-F229 HydrophobicContact CG2-CB 4Å; I218-F229 HydrophobicContact CG2-CD1 3.76Å; I218-F229 HydrophobicContact CG2-CG 4.24Å; K219-F229 WeakPolarHBondContact O-CA 3.42Å; T220-F229 HydrophobicContact CG2-CE1 4.04Å; F229-I245 HydrophobicContact CB-CD1 4.18Å; F229-I245 HydrophobicContact CD2-CG2 3.73Å; F229-I245 HydrophobicContact CE2-CG2 4.09Å; F229-I245 HydrophobicContact CG-CD1 4.32Å
230V96.6Very high93.7Very high51 Ų5164.9 Ų64.931%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-107.5115.6170.8-173.20000108.3I218 K219I218-V230 CarbonylContact C-O 3.55Å; I218-V230 WeakPolarHBondContact CA-O 3.37Å; K219-V230 HydrophobicContact CB-CB 4.15Å; K219-V230 PolarHBondContact N-O 3.3Å; K219-V230 PolarHBondContact O-N 3.12Å; K219-V230 VanDerWaalsContact O-N 3.15Å
231V97.4Very high93.8Very high0 Ų063 Ų630%033%0.329CS..EExtended strand (participates in β ladder)trans-104.5129.4-175.1-174.20000109T185 E186 V188 T216 I218 V238 A241 I245T185-V231 CarbonylContact C-O 3.55Å; T185-V231 WeakPolarHBondContact CA-O 3.25Å; E186-V231 PolarHBondContact N-O 3.05Å; E186-V231 PolarHBondContact O-N 2.92Å; V188-V231 HydrophobicContact CG2-CG2 3.86Å; T216-V231 HydrophobicContact CG2-CG1 3.85Å; I218-V231 HydrophobicContact CG1-CG1 4.25Å; I218-V231 HydrophobicContact CG1-CG2 4.33Å; I218-V231 HydrophobicContact CG2-CG2 4.16Å; V231-V238 HydrophobicContact CB-CG1 4.33Å; V231-V238 HydrophobicContact CG1-CB 4.29Å; V231-V238 HydrophobicContact CG1-CG1 4.03Å; V231-V238 HydrophobicContact CG1-CG2 4.07Å; V231-A241 HydrophobicContact CG1-CB 3.81Å; V231-I245 HydrophobicContact CG2-CD1 3.9Å
232T95.9Very high93.9Very high36 Ų3665.4 Ų65.422%0.22134%0.338CS..EExtended strand (participates in β ladder)trans-128128.7178.1-50.60000109.9N183 T184 T185 Y217N183-T232 HydrophobicContact CB-CG2 4.42Å; T184-T232 WeakPolarHBondContact O-CA 3.35Å; T185-T232 HydrophobicContact CG2-CG2 3.85Å; Y217-T232 PolarHBondContact N-O 3.1Å; Y217-T232 PolarHBondContact O-N 3.03Å
233G95.8Very high94.2Very high10 Ų1070.1 Ų70.110%0.10335%0.345CS..EExtended strand (participates in β ladder)trans176.2-163.6-178.600000112.5N183 T184 V238N183-G233 CarbonylContact C-O 3.3Å; N183-G233 WeakPolarHBondContact CA-O 3.29Å; T184-G233 PolarHBondContact N-O 2.86Å; T184-G233 PolarHBondContact O-N 3.37Å; T184-G233 VanDerWaalsContact O-N 3.15Å; T184-G233 PolarHBondContact OG1-O 3.06Å; G233-V238 VanDerWaalsContact N-CG2 3.3Å
234R94.4Very high94.9Very high110 Ų11060.5 Ų60.542%0.41531%0.311SS..  trans-70.7158169.1-59.6175.4-68.7-176.45.9110E236 D237 V238R234-E236 VanDerWaalsContact C-N 3.3Å; R234-E236 VanDerWaalsContact CB-CD 3.46Å; R234-E236 VanDerWaalsContact CB-OE1 3.27Å; R234-E236 WeakPolarHBondContact CB-OE1 3.41Å; R234-E236 WeakPolarHBondContact CB-OE2 3.43Å; R234-E236 WeakPolarHBondContact CD-OE1 3.31Å; R234-E236 IonicContact CZ-OE1 3.88Å; R234-E236 IonicContact NE-OE1 3.46Å; R234-E236 PolarHBondContact NE-OE1 3.1Å; R234-E236 PolarHBondContact O-N 3.21Å; R234-D237 HydrophobicContact CB-CB 4.3Å; R234-D237 IonicContact CZ-OD2 3.16Å; R234-D237 IonicContact NE-OD2 2.7Å; R234-D237 PolarHBondContact NE-OD2 2.76Å; R234-D237 IonicContact NH2-OD1 3.28Å; R234-D237 PolarHBondContact NH2-OD1 2.71Å; R234-D237 IonicContact NH2-OD2 2.76Å; R234-D237 PolarHBondContact NH2-OD2 3.38Å; R234-D237 WeakPolarHBondContact O-CB 3.46Å; R234-D237 PolarHBondContact O-N 3.06Å; R234-V238 WeakPolarHBondContact O-CB 3.48Å; R234-V238 VanDerWaalsContact O-CG2 3.22Å; R234-V238 WeakPolarHBondContact O-CG2 3.48Å; R234-V238 PolarHBondContact O-N 3.49Å
235K93.9Very high95.5Very high91 Ų9156.8 Ų56.840%0.39627%0.273SS..Hα-helixtrans-60.3-41.3-170.9-165.6-174.8-173.6-168.80112.1H173 T184 A239H173-K235 PolarHBondContact CD2-NZ 3.11Å; H173-K235 VanDerWaalsContact CD2-NZ 3.34Å; H173-K235 WeakPolarHBondContact NE2-CE 3.45Å; H173-K235 PolarHBondContact NE2-NZ 3.37Å; T184-K235 HydrophobicContact CG2-CB 4.31Å; T184-K235 HydrophobicContact CG2-CG 4.39Å; T184-K235 WeakPolarHBondContact OG1-CA 3.43Å; K235-A239 WeakPolarHBondContact O-CB 3.45Å; K235-A239 PolarHBondContact O-N 2.98Å; K235-A239 VanDerWaalsContact O-N 3.08Å
236E93.9Very high95.8Very high112 Ų11254.5 Ų54.552%0.52326%0.264SS..Hα-helixtrans-65.8-43.9176.565.2-77.6-169.200112.8R234 M240R234-E236 VanDerWaalsContact C-N 3.3Å; R234-E236 VanDerWaalsContact CB-CD 3.46Å; R234-E236 VanDerWaalsContact CB-OE1 3.27Å; R234-E236 WeakPolarHBondContact CB-OE1 3.41Å; R234-E236 WeakPolarHBondContact CB-OE2 3.43Å; R234-E236 WeakPolarHBondContact CD-OE1 3.31Å; R234-E236 IonicContact CZ-OE1 3.88Å; R234-E236 IonicContact NE-OE1 3.46Å; R234-E236 PolarHBondContact NE-OE1 3.1Å; R234-E236 PolarHBondContact O-N 3.21Å; E236-M240 PolarHBondContact O-N 2.92Å
237D95.8Very high96Very high11 Ų1150.8 Ų50.86%0.05925%0.254CS..Hα-helixtrans-66.3-42.9178.3-77.2-22.2000111.6T214 T216 R234 M240 A241T214-D237 WeakPolarHBondContact O-CB 3.23Å; T216-D237 HydrophobicContact CG2-CB 3.77Å; T216-D237 WeakPolarHBondContact CG2-O 3.5Å; R234-D237 HydrophobicContact CB-CB 4.3Å; R234-D237 IonicContact CZ-OD2 3.16Å; R234-D237 IonicContact NE-OD2 2.7Å; R234-D237 PolarHBondContact NE-OD2 2.76Å; R234-D237 IonicContact NH2-OD1 3.28Å; R234-D237 PolarHBondContact NH2-OD1 2.71Å; R234-D237 IonicContact NH2-OD2 2.76Å; R234-D237 PolarHBondContact NH2-OD2 3.38Å; R234-D237 WeakPolarHBondContact O-CB 3.46Å; R234-D237 PolarHBondContact O-N 3.06Å; D237-M240 PolarHBondContact O-N 3.47Å; D237-A241 WeakPolarHBondContact O-CB 3.26Å; D237-A241 PolarHBondContact O-N 3.32Å
238V96.4Very high96Very high2 Ų251.2 Ų51.21%0.01226%0.259CS..Hα-helixtrans-65.2-44.4177.8172.90000110.8E186 T216 V231 G233 R234 M240 A241 K242E186-V238 HydrophobicContact CB-CG1 3.59Å; T216-V238 HydrophobicContact CG2-CG2 4.2Å; V231-V238 HydrophobicContact CB-CG1 4.33Å; V231-V238 HydrophobicContact CG1-CB 4.29Å; V231-V238 HydrophobicContact CG1-CG1 4.03Å; V231-V238 HydrophobicContact CG1-CG2 4.07Å; G233-V238 VanDerWaalsContact N-CG2 3.3Å; R234-V238 WeakPolarHBondContact O-CB 3.48Å; R234-V238 VanDerWaalsContact O-CG2 3.22Å; R234-V238 WeakPolarHBondContact O-CG2 3.48Å; R234-V238 PolarHBondContact O-N 3.49Å; V238-M240 VanDerWaalsContact C-N 3.32Å; V238-M240 PolarHBondContact O-N 2.75Å; V238-A241 PolarHBondContact O-N 3.22Å; V238-K242 WeakPolarHBondContact O-CB 3.36Å; V238-K242 PolarHBondContact O-N 3.47Å
239A95.9Very high96Very high51 Ų5149.5 Ų49.542%0.42125%0.249SC..Hα-helixtrans-62-38.9175.600000112.2K235 R243K235-A239 WeakPolarHBondContact O-CB 3.45Å; K235-A239 PolarHBondContact O-N 2.98Å; K235-A239 VanDerWaalsContact O-N 3.08Å; A239-R243 WeakPolarHBondContact O-CB 3.42Å; A239-R243 PolarHBondContact O-N 3.48Å; A239-R243 VanDerWaalsContact O-N 3.1Å
240M96.1Very high96Very high90 Ų9055.2 Ų55.244%0.44328%0.276SS..Hα-helixtrans-63.8-49.7173.6-168.3-171.2-55.600111.3T214 E236 D237 V238 K242 R243 E244T214-M240 HydrophobicContact CG2-CB 4.44Å; T214-M240 HydrophobicContact CG2-CG 4.18Å; T214-M240 HydrophobicContact CG2-SD 4.07Å; E236-M240 PolarHBondContact O-N 2.92Å; D237-M240 PolarHBondContact O-N 3.47Å; V238-M240 VanDerWaalsContact C-N 3.32Å; V238-M240 PolarHBondContact O-N 2.75Å; M240-K242 PolarHBondContact O-N 2.97Å; M240-R243 PolarHBondContact O-N 3.42Å; M240-E244 PolarHBondContact O-N 3.02Å
241A97.3Very high95.9Very high0 Ų057.7 Ų57.70%028%0.284CS..Hα-helixtrans-61-4317900000112.6T214 T216 I218 V231 D237 V238 R243 E244 I245T214-A241 HydrophobicContact CG2-CB 3.97Å; T216-A241 HydrophobicContact CG2-CB 3.92Å; I218-A241 HydrophobicContact CD1-CB 4.39Å; V231-A241 HydrophobicContact CG1-CB 3.81Å; D237-A241 WeakPolarHBondContact O-CB 3.26Å; D237-A241 PolarHBondContact O-N 3.32Å; V238-A241 PolarHBondContact O-N 3.22Å; A241-R243 PolarHBondContact O-N 3.26Å; A241-E244 PolarHBondContact O-N 2.91Å; A241-I245 WeakPolarHBondContact O-CB 3.31Å; A241-I245 VanDerWaalsContact O-CG1 3.23Å; A241-I245 WeakPolarHBondContact O-CG1 2.96Å; A241-I245 PolarHBondContact O-N 2.88Å
242K96.3Very high95.7Very high68 Ų6859.2 Ų59.230%0.29629%0.29SS..Hα-helixtrans-58.7-46.5173.8170168.1169.4172.70111.9E186 V188 V238 M240 E244 I245 L246E186-K242 HydrophobicContact CG-CD 4.24Å; E186-K242 VanDerWaalsContact OE1-CD 3.3Å; E186-K242 WeakPolarHBondContact OE1-CD 3.25Å; E186-K242 IonicContact OE1-NZ 2.71Å; E186-K242 PolarHBondContact OE1-NZ 2.91Å; E186-K242 WeakPolarHBondContact OE2-CD 3.38Å; V188-K242 HydrophobicContact CG1-CG 4.26Å; V188-K242 HydrophobicContact CG2-CB 3.8Å; V188-K242 HydrophobicContact CG2-CD 4.22Å; V188-K242 HydrophobicContact CG2-CG 3.84Å; V238-K242 WeakPolarHBondContact O-CB 3.36Å; V238-K242 PolarHBondContact O-N 3.47Å; M240-K242 PolarHBondContact O-N 2.97Å; K242-E244 PolarHBondContact O-N 3.39Å; K242-I245 PolarHBondContact O-N 3.42Å; K242-L246 HydrophobicContact CG-CD1 3.89Å; K242-L246 WeakPolarHBondContact O-CG 3.2Å; K242-L246 PolarHBondContact O-N 2.83Å
243R96.3Very high95.6Very high192 Ų19259.2 Ų59.273%0.72529%0.292SS*.Hα-helixtrans-61.7-43.5178.5-170.1-178.8-66.2179.5-1.3111.7A239 M240 A241 S247A239-R243 WeakPolarHBondContact O-CB 3.42Å; A239-R243 PolarHBondContact O-N 3.48Å; A239-R243 VanDerWaalsContact O-N 3.1Å; M240-R243 PolarHBondContact O-N 3.42Å; A241-R243 PolarHBondContact O-N 3.26Å; R243-S247 VanDerWaalsContact O-CB 3.24Å; R243-S247 WeakPolarHBondContact O-CB 3.26Å; R243-S247 PolarHBondContact O-N 2.95Å
244E96.4Very high95.3Very high58 Ų5864.5 Ų64.527%0.27132%0.317SS..Hα-helixtrans-69.4-37.4178-64.7-145.2106.800113.2L210 K213 M240 A241 K242 A248L210-E244 HydrophobicContact CD1-CB 3.88Å; L210-E244 WeakPolarHBondContact CD1-OE2 3.24Å; K213-E244 WeakPolarHBondContact CD-OE2 3.38Å; K213-E244 VanDerWaalsContact CE-OE2 3.3Å; K213-E244 WeakPolarHBondContact CE-OE2 3.33Å; K213-E244 IonicContact NZ-OE1 2.62Å; K213-E244 PolarHBondContact NZ-OE1 3.47Å; K213-E244 IonicContact NZ-OE2 2.97Å; K213-E244 PolarHBondContact NZ-OE2 2.83Å; M240-E244 PolarHBondContact O-N 3.02Å; A241-E244 PolarHBondContact O-N 2.91Å; K242-E244 PolarHBondContact O-N 3.39Å; E244-A248 WeakPolarHBondContact O-CB 3.42Å; E244-A248 PolarHBondContact O-N 3.48Å
245I97Very high95.1Very high0 Ų063.2 Ų63.20%032%0.318CS..Hα-helixtrans-63.1-45.5175.8-69.4166.3000110.8V188 V190 I199 L210 I218 F229 V231 A241 K242 A249V188-I245 HydrophobicContact CB-CG2 4.29Å; V188-I245 HydrophobicContact CG1-CB 4.04Å; V188-I245 HydrophobicContact CG1-CG2 3.61Å; V190-I245 HydrophobicContact CG2-CG2 3.72Å; I199-I245 HydrophobicContact CD1-CG2 4.42Å; L210-I245 HydrophobicContact CD2-CD1 4.46Å; L210-I245 HydrophobicContact CD2-CG1 3.73Å; I218-I245 HydrophobicContact CD1-CD1 4.37Å; I218-I245 HydrophobicContact CG2-CD1 4.19Å; F229-I245 HydrophobicContact CB-CD1 4.18Å; F229-I245 HydrophobicContact CD2-CG2 3.73Å; F229-I245 HydrophobicContact CE2-CG2 4.09Å; F229-I245 HydrophobicContact CG-CD1 4.32Å; V231-I245 HydrophobicContact CG2-CD1 3.9Å; A241-I245 WeakPolarHBondContact O-CB 3.31Å; A241-I245 VanDerWaalsContact O-CG1 3.23Å; A241-I245 WeakPolarHBondContact O-CG1 2.96Å; A241-I245 PolarHBondContact O-N 2.88Å; K242-I245 PolarHBondContact O-N 3.42Å; I245-A249 WeakPolarHBondContact O-CB 3.45Å; I245-A249 PolarHBondContact O-N 3.36Å
246L96.3Very high94.7Very high60 Ų6062.1 Ų62.131%0.31431%0.311SS..Hα-helixtrans-67.3-48.8179-69.1171.3000111.6V188 A189 K242 A248 A249 E250V188-L246 HydrophobicContact CG1-CD1 4.43Å; V188-L246 HydrophobicContact CG1-CD2 3.86Å; V188-L246 HydrophobicContact CG1-CG 3.8Å; A189-L246 WeakPolarHBondContact O-CD2 3.39Å; K242-L246 HydrophobicContact CG-CD1 3.89Å; K242-L246 WeakPolarHBondContact O-CG 3.2Å; K242-L246 PolarHBondContact O-N 2.83Å; L246-A248 VanDerWaalsContact C-N 3.28Å; L246-A248 PolarHBondContact O-N 3.48Å; L246-A249 WeakPolarHBondContact O-CA 3.41Å; L246-A249 WeakPolarHBondContact O-CB 3.44Å; L246-A249 PolarHBondContact O-N 3.3Å; L246-E250 WeakPolarHBondContact O-CG 3.45Å; L246-E250 PolarHBondContact O-N 2.9Å
247S96.6Very high94.1Very high67 Ų6760 Ų6047%0.46931%0.313SS..Hα-helixtrans-60.5-37.4177.6-177.70000112.2R243 H251R243-S247 VanDerWaalsContact O-CB 3.24Å; R243-S247 WeakPolarHBondContact O-CB 3.26Å; R243-S247 PolarHBondContact O-N 2.95Å; S247-H251 WeakPolarHBondContact O-CB 3.44Å; S247-H251 PolarHBondContact O-N 3.41Å
248A95.8Very high93.3Very high27 Ų2763 Ų6322%0.22333%0.334CS..Hα-helixtrans-66.1-40.3172.600000112.4I199 E244 L246 H251 F252I199-A248 HydrophobicContact CG1-CB 4.02Å; E244-A248 WeakPolarHBondContact O-CB 3.42Å; E244-A248 PolarHBondContact O-N 3.48Å; L246-A248 VanDerWaalsContact C-N 3.28Å; L246-A248 PolarHBondContact O-N 3.48Å; A248-H251 PolarHBondContact O-N 2.99Å; A248-F252 HydrophobicContact CB-CE2 4.04Å; A248-F252 WeakPolarHBondContact O-CD2 3.34Å; A248-F252 VanDerWaalsContact O-CG 3.3Å; A248-F252 WeakPolarHBondContact O-CG 3.39Å; A248-F252 PolarHBondContact O-N 2.7Å
249A95.8Very high92.1Very high3 Ų371.2 Ų71.23%0.02537%0.365CS..Hα-helixtrans-62.9-43.717600000112.2V190 I199 I245 L246 S253V190-A249 HydrophobicContact CG1-CB 4.01Å; V190-A249 HydrophobicContact CG2-CB 4.37Å; I199-A249 HydrophobicContact CD1-CB 4.02Å; I245-A249 WeakPolarHBondContact O-CB 3.45Å; I245-A249 PolarHBondContact O-N 3.36Å; L246-A249 WeakPolarHBondContact O-CA 3.41Å; L246-A249 WeakPolarHBondContact O-CB 3.44Å; L246-A249 PolarHBondContact O-N 3.3Å; A249-S253 WeakPolarHBondContact O-CB 3.38Å; A249-S253 PolarHBondContact O-N 3.26Å; A249-S253 PolarHBondContact O-OG 2.92Å
250E95.5Very high90.4Very high121 Ų12175.4 Ų75.457%0.56538%0.38SS*.Hα-helixtrans-63.2-47.4174.8-70.3167.6-178.700111.6L246 F252 S253 L254L246-E250 WeakPolarHBondContact O-CG 3.45Å; L246-E250 PolarHBondContact O-N 2.9Å; E250-F252 PolarHBondContact O-N 2.73Å; E250-S253 WeakPolarHBondContact O-CA 3.49Å; E250-S253 WeakPolarHBondContact O-CB 3.48Å; E250-S253 PolarHBondContact O-N 3.41Å; E250-S253 VanDerWaalsContact O-N 3.12Å; E250-L254 WeakPolarHBondContact O-CG 3.28Å; E250-L254 PolarHBondContact O-N 3.02Å
251H94.1Very high88.3Confident103 Ų10380.2 Ų80.248%0.47740%0.399SS..Hα-helixtrans-59.9-43.2177.6175.4-98.3000112.5S247 A248 L254 I255S247-H251 WeakPolarHBondContact O-CB 3.44Å; S247-H251 PolarHBondContact O-N 3.41Å; A248-H251 PolarHBondContact O-N 2.99Å; H251-L254 PolarHBondContact O-N 3.02Å; H251-I255 WeakPolarHBondContact CE1-CD1 3.49Å; H251-I255 WeakPolarHBondContact O-CG1 3.23Å; H251-I255 PolarHBondContact O-N 2.92Å
252F94.1Very high86Confident31 Ų3185.7 Ų85.714%0.13643%0.432CS..Hα-helixtrans-68.6-36.5173.8-63.1-43.1000112.1E198 I199 K206 A248 E250 L254 I255 R256E198-F252 HydrophobicContact CB-CD2 3.84Å; E198-F252 HydrophobicContact CB-CE2 4.09Å; E198-F252 HydrophobicContact CB-CG 4.14Å; I199-F252 HydrophobicContact CG1-CD2 3.98Å; I199-F252 HydrophobicContact CG1-CE2 3.82Å; K206-F252 VanDerWaalsContact NZ-CZ 3.32Å; A248-F252 HydrophobicContact CB-CE2 4.04Å; A248-F252 WeakPolarHBondContact O-CD2 3.34Å; A248-F252 VanDerWaalsContact O-CG 3.3Å; A248-F252 WeakPolarHBondContact O-CG 3.39Å; A248-F252 PolarHBondContact O-N 2.7Å; E250-F252 PolarHBondContact O-N 2.73Å; F252-L254 VanDerWaalsContact C-N 3.32Å; F252-L254 PolarHBondContact O-N 3.39Å; F252-I255 PolarHBondContact O-N 3.37Å; F252-R256 WeakPolarHBondContact O-CB 3.44Å; F252-R256 WeakPolarHBondContact O-CD 3.24Å; F252-R256 VanDerWaalsContact O-CG 3.24Å; F252-R256 WeakPolarHBondContact O-CG 3.11Å; F252-R256 PolarHBondContact O-N 3.1Å
253S93.6Very high83.2Confident37 Ų3784.2 Ų84.226%0.25944%0.437SS..Hα-helixtrans-59.6-41.4173.1-58.90000111.9H195 A249 E250 R256 A257H195-S253 PolarHBondContact CE1-OG 2.92Å; H195-S253 PolarHBondContact NE2-OG 3.12Å; A249-S253 WeakPolarHBondContact O-CB 3.38Å; A249-S253 PolarHBondContact O-N 3.26Å; A249-S253 PolarHBondContact O-OG 2.92Å; E250-S253 WeakPolarHBondContact O-CA 3.49Å; E250-S253 WeakPolarHBondContact O-CB 3.48Å; E250-S253 PolarHBondContact O-N 3.41Å; E250-S253 VanDerWaalsContact O-N 3.12Å; S253-R256 PolarHBondContact O-N 2.94Å; S253-A257 WeakPolarHBondContact O-CB 3.46Å; S253-A257 PolarHBondContact O-N 3.46Å
254L90.8Very high81Confident121 Ų12180.7 Ų80.763%0.63444%0.439SS*.Hα-helixtrans-68.1-42.4177.5-72.9162.6000112.7E250 H251 F252 R256 A257 S258E250-L254 WeakPolarHBondContact O-CG 3.28Å; E250-L254 PolarHBondContact O-N 3.02Å; H251-L254 PolarHBondContact O-N 3.02Å; F252-L254 VanDerWaalsContact C-N 3.32Å; F252-L254 PolarHBondContact O-N 3.39Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 3.05Å; L254-A257 PolarHBondContact O-N 2.92Å; L254-S258 WeakPolarHBondContact O-CB 3.49Å; L254-S258 PolarHBondContact O-N 3.35Å; L254-S258 PolarHBondContact O-OG 2.94Å
255I88.8Confident78.3Confident83 Ų8386.2 Ų86.243%0.42647%0.469SS..Hα-helixtrans-62.3-38.4173.4-72.2172.9000110.8H251 F252 S258 R259H251-I255 WeakPolarHBondContact CE1-CD1 3.49Å; H251-I255 WeakPolarHBondContact O-CG1 3.23Å; H251-I255 PolarHBondContact O-N 2.92Å; F252-I255 PolarHBondContact O-N 3.37Å; I255-S258 WeakPolarHBondContact CA-OG 3.16Å; I255-S258 PolarHBondContact O-OG 3.49Å; I255-S258 VanDerWaalsContact O-OG 3.11Å; I255-R259 WeakPolarHBondContact O-CB 3.35Å; I255-R259 PolarHBondContact O-N 3.06Å
256R85.9Confident75.6Confident68 Ų6892.3 Ų92.326%0.25751%0.512SS..Hα-helixtrans-66.6-52176.3-75.1161.1166.6-80.5-14.5111.2E194 H195 E198 F252 S253 L254 S258 R259 N260E194-R256 VanDerWaalsContact CD-CZ 3.46Å; E194-R256 IonicContact OE1-CZ 3.54Å; E194-R256 IonicContact OE1-NH1 3.67Å; E194-R256 PolarHBondContact OE1-NH1 2.84Å; E194-R256 VanDerWaalsContact OE1-NH1 3.1Å; E194-R256 IonicContact OE1-NH2 3.49Å; E194-R256 PolarHBondContact OE1-NH2 3.32Å; E194-R256 IonicContact OE2-CZ 3.38Å; E194-R256 IonicContact OE2-NH1 2.76Å; E194-R256 PolarHBondContact OE2-NH1 2.61Å; E194-R256 IonicContact OE2-NH2 3.55Å; H195-R256 VanDerWaalsContact NE2-CD 3.31Å; H195-R256 WeakPolarHBondContact NE2-CD 3.47Å; E198-R256 IonicContact OE1-CZ 3.51Å; E198-R256 IonicContact OE1-NE 2.83Å; E198-R256 PolarHBondContact OE1-NE 3.32Å; E198-R256 IonicContact OE1-NH2 2.61Å; E198-R256 PolarHBondContact OE1-NH2 3.22Å; E198-R256 IonicContact OE2-CZ 3.1Å; E198-R256 IonicContact OE2-NE 3.34Å; E198-R256 PolarHBondContact OE2-NE 2.99Å; E198-R256 IonicContact OE2-NH2 2.75Å; E198-R256 PolarHBondContact OE2-NH2 3.1Å; F252-R256 WeakPolarHBondContact O-CB 3.44Å; F252-R256 WeakPolarHBondContact O-CD 3.24Å; F252-R256 VanDerWaalsContact O-CG 3.24Å; F252-R256 WeakPolarHBondContact O-CG 3.11Å; F252-R256 PolarHBondContact O-N 3.1Å; S253-R256 PolarHBondContact O-N 2.94Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 3.05Å; R256-S258 PolarHBondContact O-N 3.5Å; R256-R259 PolarHBondContact O-N 2.76Å; R256-N260 WeakPolarHBondContact O-CB 3.3Å; R256-N260 PolarHBondContact O-N 3.46Å
257A81.4Confident73Confident67 Ų6794.1 Ų94.155%0.55454%0.536SS*.Hα-helixtrans-57.6-43.8178.700000113S253 L254 N260 K261S253-A257 WeakPolarHBondContact O-CB 3.46Å; S253-A257 PolarHBondContact O-N 3.46Å; L254-A257 PolarHBondContact O-N 2.92Å; A257-N260 PolarHBondContact O-N 2.89Å; A257-K261 PolarHBondContact O-N 3.22Å
258S79Confident70.1Confident73 Ų7397.6 Ų97.651%0.5155%0.553SS.*Hα-helixtrans-68.3-42.717851.90000112.7L254 I255 R256 N260 K261 T262L254-S258 WeakPolarHBondContact O-CB 3.49Å; L254-S258 PolarHBondContact O-N 3.35Å; L254-S258 PolarHBondContact O-OG 2.94Å; I255-S258 WeakPolarHBondContact CA-OG 3.16Å; I255-S258 PolarHBondContact O-OG 3.49Å; I255-S258 VanDerWaalsContact O-OG 3.11Å; R256-S258 PolarHBondContact O-N 3.5Å; S258-N260 PolarHBondContact O-N 3.32Å; S258-K261 PolarHBondContact O-N 3.48Å; S258-T262 PolarHBondContact O-OG1 2.97Å
259R72Confident67.1Low176 Ų176102.6 Ų102.666%0.66458%0.581SS**Hα-helixtrans-69.2-31.5175.7-150.7-179.984.8-168.23.6112.8I255 R256 K261 T262 G263I255-R259 WeakPolarHBondContact O-CB 3.35Å; I255-R259 PolarHBondContact O-N 3.06Å; R256-R259 PolarHBondContact O-N 2.76Å; R259-K261 PolarHBondContact O-N 3.44Å; R259-T262 WeakPolarHBondContact CA-OG1 3.33Å; R259-T262 CarbonylContact O-C 3.46Å; R259-T262 WeakPolarHBondContact O-CA 3.32Å; R259-T262 PolarHBondContact O-N 2.7Å; R259-T262 PolarHBondContact O-OG1 3.28Å; R259-G263 PolarHBondContact O-N 2.72Å
260N59.9Low64.1Low139 Ų139105.6 Ų105.674%0.74361%0.613SS**Hα-helixtrans-68.8-16.8177-130.298.7000113.5R256 A257 S258 T262R256-N260 WeakPolarHBondContact O-CB 3.3Å; R256-N260 PolarHBondContact O-N 3.46Å; A257-N260 PolarHBondContact O-N 2.89Å; S258-N260 PolarHBondContact O-N 3.32Å; N260-T262 VanDerWaalsContact C-N 3.31Å
261K51.8Low61.6Low190 Ų190108.7 Ų108.783%0.82663%0.632SS**THydrogen-bonded Turntrans-84.9-2.2168.3-161.9165.3-177.5176.70113A257 S258 R259A257-K261 PolarHBondContact O-N 3.22Å; S258-K261 PolarHBondContact O-N 3.48Å; R259-K261 PolarHBondContact O-N 3.44Å
262T48.7Very low58.9Low115 Ų115107.3 Ų107.371%0.70665%0.646SS**SBendtrans-129.934.1-179.443.40000113S258 R259 N260S258-T262 PolarHBondContact O-OG1 2.97Å; R259-T262 WeakPolarHBondContact CA-OG1 3.33Å; R259-T262 CarbonylContact O-C 3.46Å; R259-T262 WeakPolarHBondContact O-CA 3.32Å; R259-T262 PolarHBondContact O-N 2.7Å; R259-T262 PolarHBondContact O-OG1 3.28Å; N260-T262 VanDerWaalsContact C-N 3.31Å
263G37.5Very low56.2Low38 Ų38110.6 Ų110.639%0.39268%0.678SS.*  trans91171.716700000116.1R259R259-G263 PolarHBondContact O-N 2.72Å
264P48.9Very low53.9Low118 Ų118113.9 Ų113.977%0.76670%0.699SS**  cis-116.7145.59.737.9-26.2000114.4
265L40.7Very low52Low174 Ų174112.5 Ų112.591%0.91171%0.705SS**  trans-139.8112.1164.9-76178.3000111.3
266S40.7Very low50.4Low128 Ų128114.2 Ų114.290%0.89571%0.714SS**  trans-145.789.2162.3-88.50000108.7
267A40.6Very low48.9Very low98 Ų98117.3 Ų117.381%0.8174%0.743SS**  trans175.679.2155.600000112.3
268V36Very low48.3Very low139 Ų139116.3 Ų116.384%0.84274%0.74SS**  trans-177.7130.4131.5139.60000111.5
269T33.6Very low48.4Very low132 Ų132117.9 Ų117.981%0.8174%0.739SS**  trans21.8110.3152.6-42.10000121.2
270G33.4Very low49.1Very low67 Ų67111.9 Ų111.969%0.69172%0.722SS**  91.4117.711600000120.7
271L42.3Very low50.5Low186 Ų186109.1 Ų109.197%0.97471%0.71SS**  trans56.9122.8152.8-66171.5000119.8
272G37.2Very low52.4Low73 Ų73102.3 Ų102.375%0.75368%0.683SS**  trans92.5104.2164.400000113.3P274G272-P274 VanDerWaalsContact O-CD 3.26Å; G272-P274 WeakPolarHBondContact O-CD 3.44Å
273A38Very low54.4Low100 Ų100103.1 Ų103.183%0.82668%0.678SS**PPolyproline II helixtrans-84.5116.4175.400000110.8
274P44.1Very low57.1Low106 Ų106101.4 Ų101.469%0.68866%0.66SS**PPolyproline II helixtrans-80.7119.8162.532.4-29.6000108.5G272 L276G272-P274 VanDerWaalsContact O-CD 3.26Å; G272-P274 WeakPolarHBondContact O-CD 3.44Å; P274-L276 PolarHBondContact O-N 2.94Å; P274-L276 VanDerWaalsContact O-N 3.14Å
275A51.8Low59.1Low92 Ų92104.3 Ų104.376%0.7666%0.656SS**PPolyproline II helixtrans-62.3117.4176.700000110.2
276L54.4Low61.4Low119 Ų11996.5 Ų96.562%0.62362%0.615SS**PPolyproline II helixtrans-71.8134.2175.9-67.7175.6000109.4P274 G278 Q279P274-L276 PolarHBondContact O-N 2.94Å; P274-L276 VanDerWaalsContact O-N 3.14Å; L276-G278 PolarHBondContact O-N 3.44Å; L276-Q279 PolarHBondContact O-N 2.96Å
277P55.4Low63.8Low133 Ų13394.2 Ų94.286%0.86460%0.598SS**THydrogen-bonded Turntrans-61.3112.3-17924.3-33.3000110.5
278G69.2Low66.1Low47 Ų4796.4 Ų96.449%0.48559%0.586SS.*THydrogen-bonded Turntrans108.7-0.4-176.900000115.9L276L276-G278 PolarHBondContact O-N 3.44Å
279Q79.8Confident68.6Low106 Ų106101.1 Ų101.150%0.49559%0.589SS.*  trans-125.5132.2167-73.4-174.5-14.200111.5L276 G328L276-Q279 PolarHBondContact O-N 2.96Å; Q279-G328 CarbonylContact C-O 3.14Å; Q279-G328 VanDerWaalsContact CA-O 3.31Å; Q279-G328 WeakPolarHBondContact CA-O 3.28Å
280T86.6Confident71.2Confident49 Ų4995.1 Ų95.130%0.30155%0.551SS.*EExtended strand (participates in β ladder)trans-105.5156.3172.3-166.70000110.6I282 T327 G328 P330 V333T280-I282 HydrophobicContact CG2-CG1 4.49Å; T280-T327 WeakPolarHBondContact O-CA 3.47Å; T280-G328 PolarHBondContact N-O 3.03Å; T280-G328 PolarHBondContact O-N 3.15Å; T280-G328 VanDerWaalsContact O-N 3.12Å; T280-P330 HydrophobicContact CG2-CB 4.1Å; T280-V333 HydrophobicContact CG2-CB 3.92Å; T280-V333 HydrophobicContact CG2-CG1 4.19Å; T280-V333 HydrophobicContact CG2-CG2 3.83Å
281T89.8Confident73.9Confident81 Ų8193 Ų9350%0.49753%0.525SS..EExtended strand (participates in β ladder)trans-124.2118.3173.848.60000109.5V326 T327T281-V326 WeakPolarHBondContact CA-O 3.39Å; T281-T327 HydrophobicContact CG2-CG2 3.79Å
282I91.6Very high76.2Confident48 Ų4886.7 Ų86.725%0.24651%0.505CS..EExtended strand (participates in β ladder)trans-117.1139.9178.4-62.8-172.5000109.9T280 V284 V326 V333T280-I282 HydrophobicContact CG2-CG1 4.49Å; I282-V284 HydrophobicContact CG2-CG2 4.4Å; I282-V326 PolarHBondContact N-O 3.28Å; I282-V326 PolarHBondContact O-N 3.44Å; I282-V333 HydrophobicContact CB-CG1 3.58Å; I282-V333 HydrophobicContact CD1-CG1 3.75Å; I282-V333 HydrophobicContact CG1-CG1 3.64Å
283Q91.8Very high78.7Confident132 Ų13287.2 Ų87.262%0.61749%0.49SS*.EExtended strand (participates in β ladder)trans-98.6108178.3-73.9-175.119.300110.3V323 F324Q283-V323 HydrophobicContact CB-CG1 3.62Å; Q283-V323 HydrophobicContact CG-CG1 4.05Å; Q283-F324 CarbonylContact C-O 3.53Å; Q283-F324 WeakPolarHBondContact CA-O 3.43Å
284V92.4Very high81.3Confident1 Ų182.5 Ų82.51%0.00645%0.451CS..EExtended strand (participates in β ladder)trans-96.1107.5180-175.50000109.1I282 V286 F324 V326 R337 I340I282-V284 HydrophobicContact CG2-CG2 4.4Å; V284-V286 HydrophobicContact CG1-CG1 4.32Å; V284-F324 HydrophobicContact CB-CB 4.4Å; V284-F324 PolarHBondContact N-O 2.99Å; V284-F324 PolarHBondContact O-N 3Å; V284-V326 HydrophobicContact CB-CG2 4.48Å; V284-V326 HydrophobicContact CG2-CG2 3.77Å; V284-R337 HydrophobicContact CG1-CG 4.32Å; V284-R337 HydrophobicContact CG2-CB 3.84Å; V284-R337 HydrophobicContact CG2-CG 3.78Å; V284-I340 HydrophobicContact CB-CD1 4.42Å; V284-I340 HydrophobicContact CG1-CB 4.43Å; V284-I340 HydrophobicContact CG1-CD1 4.3Å; V284-I340 HydrophobicContact CG1-CG2 4.02Å; V284-I340 HydrophobicContact CG2-CD1 4.45Å
285R91.1Very high83.6Confident179 Ų17978.8 Ų78.868%0.67543%0.426SS*.EExtended strand (participates in β ladder)trans-83.7132179.1-69.4-177.3154.6168.3-8.9110.6E321 V323R285-E321 IonicContact NH2-OE2 3.54Å; R285-V323 HydrophobicContact CG-CG1 4.18Å; R285-V323 HydrophobicContact CG-CG2 4.08Å
286V90.8Very high85.5Confident10 Ų1075.1 Ų75.16%0.06140%0.397CS..  trans-133.7156.2178.1-48.50000111.7V284 V290 V291 P322 F324 I340 I344V284-V286 HydrophobicContact CG1-CG1 4.32Å; V286-V290 HydrophobicContact CB-CG2 4.14Å; V286-V290 HydrophobicContact CG2-CG2 4.29Å; V286-V291 HydrophobicContact CG2-CB 4.49Å; V286-V291 HydrophobicContact CG2-CG2 3.51Å; V286-P322 HydrophobicContact CG2-CB 4.47Å; V286-P322 PolarHBondContact N-O 2.86Å; V286-P322 WeakPolarHBondContact O-CB 3.35Å; V286-P322 WeakPolarHBondContact O-CG 3.39Å; V286-F324 HydrophobicContact CG1-CD2 3.95Å; V286-F324 HydrophobicContact CG1-CE2 4.04Å; V286-F324 HydrophobicContact CG2-CD2 4.15Å; V286-F324 HydrophobicContact CG2-CE2 3.68Å; V286-I340 HydrophobicContact CG1-CG2 3.96Å; V286-I344 HydrophobicContact CB-CD1 3.75Å; V286-I344 HydrophobicContact CG1-CD1 3.49Å; V286-I344 VanDerWaalsContact CG1-CD1 3.49Å
287P91.1Very high87.3Confident81 Ų8174.5 Ų74.553%0.52640%0.401SS..  trans-62.3137.7171.9-2433.5000113R289 V290 V291P287-R289 PolarHBondContact O-N 3.16Å; P287-V290 HydrophobicContact CB-CG2 4.17Å; P287-V290 HydrophobicContact CG-CG2 4.3Å; P287-V290 VanDerWaalsContact O-CG2 3.23Å; P287-V290 WeakPolarHBondContact O-CG2 3.31Å; P287-V290 PolarHBondContact O-N 3.02Å; P287-V291 PolarHBondContact O-N 3.14Å
288Y88.5Confident88.9Confident143 Ų14377.9 Ų77.956%0.56140%0.401SS*.Hα-helixtrans-48.8-37.1178.1-79.9-78.6000114.1V290 K320 P322Y288-V290 PolarHBondContact O-N 2.94Å; Y288-K320 WeakPolarHBondContact CE1-O 3.31Å; Y288-K320 PolarHBondContact OH-O 3.31Å; Y288-P322 HydrophobicContact CD1-CB 3.95Å; Y288-P322 HydrophobicContact CD1-CG 4.27Å; Y288-P322 HydrophobicContact CD2-CB 4.47Å; Y288-P322 HydrophobicContact CD2-CG 3.96Å; Y288-P322 HydrophobicContact CE1-CB 4.11Å; Y288-P322 HydrophobicContact CE1-CG 4.24Å; Y288-P322 HydrophobicContact CE2-CG 3.92Å; Y288-P322 HydrophobicContact CG-CB 4.15Å; Y288-P322 HydrophobicContact CG-CG 4.15Å
289R87.9Confident90Very high239 Ų23976.1 Ų76.190%0.90238%0.383SS*.Hα-helixtrans-62-28179.9-62.8-173.9-176.1-173.83.3113.2P287P287-R289 PolarHBondContact O-N 3.16Å
290V89.1Confident90.7Very high5 Ų573.3 Ų73.33%0.0338%0.379CS..Hα-helixtrans-103.4-10.4-175-53.70000114V286 P287 Y288 G292 L293 V294 I344 T348V286-V290 HydrophobicContact CB-CG2 4.14Å; V286-V290 HydrophobicContact CG2-CG2 4.29Å; P287-V290 HydrophobicContact CB-CG2 4.17Å; P287-V290 HydrophobicContact CG-CG2 4.3Å; P287-V290 VanDerWaalsContact O-CG2 3.23Å; P287-V290 WeakPolarHBondContact O-CG2 3.31Å; P287-V290 PolarHBondContact O-N 3.02Å; Y288-V290 PolarHBondContact O-N 2.94Å; V290-G292 PolarHBondContact O-N 3.02Å; V290-L293 HydrophobicContact CB-CD1 4.33Å; V290-L293 HydrophobicContact CG1-CD1 4.23Å; V290-L293 WeakPolarHBondContact O-CA 3.49Å; V290-L293 WeakPolarHBondContact O-CB 3.41Å; V290-L293 PolarHBondContact O-N 3.44Å; V290-V294 PolarHBondContact O-N 3.12Å; V290-I344 HydrophobicContact CB-CG1 4.28Å; V290-I344 HydrophobicContact CB-CG2 4.37Å; V290-I344 HydrophobicContact CG1-CG2 4.29Å; V290-I344 HydrophobicContact CG2-CD1 3.81Å; V290-I344 HydrophobicContact CG2-CG1 3.78Å; V290-I344 HydrophobicContact CG2-CG2 3.96Å; V290-T348 HydrophobicContact CG1-CG2 3.82Å; V290-T348 WeakPolarHBondContact CG1-OG1 3.16Å
291V89.8Confident91Very high24 Ų2471.4 Ų71.415%0.14537%0.367CS..Hα-helixtrans-50.4-45.7174178.20000110.9V286 P287 L293 V294 V295 P322 F324V286-V291 HydrophobicContact CG2-CB 4.49Å; V286-V291 HydrophobicContact CG2-CG2 3.51Å; P287-V291 PolarHBondContact O-N 3.14Å; V291-L293 VanDerWaalsContact C-N 3.3Å; V291-L293 PolarHBondContact O-N 3.25Å; V291-V294 PolarHBondContact O-N 3.31Å; V291-V295 HydrophobicContact CG1-CG2 4.41Å; V291-V295 WeakPolarHBondContact O-CB 3.43Å; V291-V295 VanDerWaalsContact O-CG2 3.29Å; V291-V295 WeakPolarHBondContact O-CG2 3.48Å; V291-V295 PolarHBondContact O-N 3.45Å; V291-P322 HydrophobicContact CG2-CB 3.69Å; V291-F324 HydrophobicContact CG1-CZ 4.11Å
292G90.2Very high91.2Very high53 Ų5367.8 Ų67.855%0.54634%0.344SS..Hα-helixtrans-64.9-28.5178.100000114.5V290 G296V290-G292 PolarHBondContact O-N 3.02Å; G292-G296 PolarHBondContact O-N 3.15Å
293L90.4Very high91.4Very high84 Ų8471.9 Ų71.944%0.4436%0.36SS..Hα-helixtrans-76-43.9176.6-57.3177.2000111V290 V291 G296V290-L293 HydrophobicContact CB-CD1 4.33Å; V290-L293 HydrophobicContact CG1-CD1 4.23Å; V290-L293 WeakPolarHBondContact O-CA 3.49Å; V290-L293 WeakPolarHBondContact O-CB 3.41Å; V290-L293 PolarHBondContact O-N 3.44Å; V291-L293 VanDerWaalsContact C-N 3.3Å; V291-L293 PolarHBondContact O-N 3.25Å; L293-G296 PolarHBondContact O-N 3.18Å
294V92Very high91.5Very high0 Ų071.1 Ų71.10%035%0.352CS..Hα-helixtrans-64-40.7176.4174.60000111.3V290 V291 T301 I302 F324 I340 I344V290-V294 PolarHBondContact O-N 3.12Å; V291-V294 PolarHBondContact O-N 3.31Å; V294-T301 WeakPolarHBondContact O-CB 3.26Å; V294-T301 WeakPolarHBondContact O-CG2 3.36Å; V294-I302 HydrophobicContact CG1-CD1 3.99Å; V294-I302 PolarHBondContact O-N 2.93Å; V294-I302 VanDerWaalsContact O-N 3.16Å; V294-F324 HydrophobicContact CB-CE2 4.06Å; V294-F324 HydrophobicContact CB-CZ 3.94Å; V294-F324 HydrophobicContact CG1-CD2 4.47Å; V294-F324 HydrophobicContact CG1-CE1 4.32Å; V294-F324 HydrophobicContact CG1-CE2 3.62Å; V294-F324 HydrophobicContact CG1-CZ 3.54Å; V294-I340 HydrophobicContact CG1-CG1 4.34Å; V294-I340 HydrophobicContact CG1-CG2 4.05Å; V294-I340 HydrophobicContact CG2-CG2 4.29Å; V294-I344 HydrophobicContact CG2-CD1 3.9Å; V294-I344 HydrophobicContact CG2-CG1 3.55Å
295V93.1Very high91.6Very high29 Ų2971 Ų7118%0.17635%0.351CS..Hα-helixtrans-66.7-50.2172174.90000110.4V291 G299 A300 T301 I302 T315 F324V291-V295 HydrophobicContact CG1-CG2 4.41Å; V291-V295 WeakPolarHBondContact O-CB 3.43Å; V291-V295 VanDerWaalsContact O-CG2 3.29Å; V291-V295 WeakPolarHBondContact O-CG2 3.48Å; V291-V295 PolarHBondContact O-N 3.45Å; V295-G299 CarbonylContact O-C 3.58Å; V295-G299 WeakPolarHBondContact O-CA 3.36Å; V295-A300 PolarHBondContact O-N 3.5Å; V295-T301 PolarHBondContact O-N 3.48Å; V295-T301 VanDerWaalsContact O-N 3.13Å; V295-I302 HydrophobicContact CB-CG2 4.48Å; V295-I302 HydrophobicContact CG1-CG2 4.31Å; V295-I302 PolarHBondContact O-N 2.85Å; V295-T315 HydrophobicContact CG2-CG2 3.49Å; V295-T315 VanDerWaalsContact CG2-CG2 3.49Å; V295-F324 HydrophobicContact CG2-CE1 4.13Å; V295-F324 HydrophobicContact CG2-CZ 4.17Å
296G90.9Very high91.7Very high14 Ų1464.3 Ų64.314%0.14433%0.328CS..  trans71.5173.8-177.700000113.8G292 L293 K298 G299G292-G296 PolarHBondContact O-N 3.15Å; L293-G296 PolarHBondContact O-N 3.18Å; G296-K298 PolarHBondContact O-N 2.89Å; G296-G299 PolarHBondContact O-N 3.3Å
297P91.8Very high92Very high107 Ų10770.4 Ų70.470%0.69536%0.356SS*.G310 helixtrans-59126.8-177.424.2-33.8000111.3G299 A300P297-G299 PolarHBondContact O-N 3.03Å; P297-G299 VanDerWaalsContact O-N 3.1Å; P297-A300 WeakPolarHBondContact O-CB 3.3Å; P297-A300 PolarHBondContact O-N 3.38Å
298K89.6Confident92.1Very high203 Ų20371.1 Ų71.188%0.88335%0.352SS*.G310 helixtrans54.822-175.8-56.2-176.5179.1-178.40114.9G296 A300 K303G296-K298 PolarHBondContact O-N 2.89Å; K298-A300 VanDerWaalsContact C-N 3.31Å; K298-K303 PolarHBondContact O-NZ 2.99Å
299G91.7Very high92.4Very high10 Ų1064.4 Ų64.410%0.10333%0.325CS..G310 helixtrans7516-174.200000114.1V295 G296 P297 T301 I302 K303V295-G299 CarbonylContact O-C 3.58Å; V295-G299 WeakPolarHBondContact O-CA 3.36Å; G296-G299 PolarHBondContact O-N 3.3Å; P297-G299 PolarHBondContact O-N 3.03Å; P297-G299 VanDerWaalsContact O-N 3.1Å; G299-T301 VanDerWaalsContact C-N 3.3Å; G299-T301 PolarHBondContact O-N 3.45Å; G299-I302 PolarHBondContact O-N 3.11Å; G299-K303 VanDerWaalsContact O-CB 3.27Å; G299-K303 WeakPolarHBondContact O-CB 3.43Å; G299-K303 WeakPolarHBondContact O-CD 3.21Å; G299-K303 WeakPolarHBondContact O-CG 3.37Å; G299-K303 PolarHBondContact O-N 2.83Å
300A94.4Very high92.6Very high48 Ų4859.1 Ų59.140%0.39731%0.311SS..Hα-helixtrans-65.9-27.4-172.700000114V295 P297 K298 R304V295-A300 PolarHBondContact O-N 3.5Å; P297-A300 WeakPolarHBondContact O-CB 3.3Å; P297-A300 PolarHBondContact O-N 3.38Å; K298-A300 VanDerWaalsContact C-N 3.31Å; A300-R304 WeakPolarHBondContact O-CB 3.37Å; A300-R304 PolarHBondContact O-N 3.46Å
301T93.7Very high92.9Very high9 Ų959.5 Ų59.56%0.05531%0.313CS..Hα-helixtrans-74.1-56.7174.3-64.80000110.2V294 V295 G299 K303 R304 I305 H343V294-T301 WeakPolarHBondContact O-CB 3.26Å; V294-T301 WeakPolarHBondContact O-CG2 3.36Å; V295-T301 PolarHBondContact O-N 3.48Å; V295-T301 VanDerWaalsContact O-N 3.13Å; G299-T301 VanDerWaalsContact C-N 3.3Å; G299-T301 PolarHBondContact O-N 3.45Å; T301-K303 PolarHBondContact O-N 3.14Å; T301-R304 WeakPolarHBondContact O-CA 3.42Å; T301-R304 VanDerWaalsContact O-CB 3.32Å; T301-R304 WeakPolarHBondContact O-CB 3.3Å; T301-R304 PolarHBondContact O-N 2.88Å; T301-I305 HydrophobicContact CG2-CD1 4.12Å; T301-I305 PolarHBondContact O-N 3.36Å; T301-I305 VanDerWaalsContact O-N 3.07Å; T301-H343 WeakPolarHBondContact CG2-CE1 3.5Å; T301-H343 WeakPolarHBondContact CG2-NE2 3.3Å
302I94.1Very high93.1Very high4 Ų465.5 Ų65.52%0.02133%0.334CS..Hα-helixtrans-65.9-27.1-175.2-163.157.4000113.1V294 V295 G299 I305 Q306 I313V294-I302 HydrophobicContact CG1-CD1 3.99Å; V294-I302 PolarHBondContact O-N 2.93Å; V294-I302 VanDerWaalsContact O-N 3.16Å; V295-I302 HydrophobicContact CB-CG2 4.48Å; V295-I302 HydrophobicContact CG1-CG2 4.31Å; V295-I302 PolarHBondContact O-N 2.85Å; G299-I302 PolarHBondContact O-N 3.11Å; I302-I305 HydrophobicContact CD1-CD1 4.25Å; I302-Q306 WeakPolarHBondContact O-CB 3.43Å; I302-Q306 VanDerWaalsContact O-CG 3.32Å; I302-Q306 WeakPolarHBondContact O-CG 3.43Å; I302-Q306 PolarHBondContact O-N 3.4Å; I302-Q306 VanDerWaalsContact O-N 3.11Å; I302-Q306 PolarHBondContact O-NE2 2.95Å; I302-I313 HydrophobicContact CD1-CB 4.19Å; I302-I313 HydrophobicContact CD1-CD1 3.65Å; I302-I313 HydrophobicContact CD1-CG2 3.9Å; I302-I313 HydrophobicContact CG1-CB 4.21Å; I302-I313 HydrophobicContact CG1-CD1 4.42Å; I302-I313 HydrophobicContact CG1-CG2 4.11Å
303K94.8Very high93.3Very high135 Ų13563.3 Ų63.359%0.58731%0.31SS*.Hα-helixtrans-69.4-34.7169.2-74.2169.5-178.9164.60112.7K298 G299 T301 Q307K298-K303 PolarHBondContact O-NZ 2.99Å; G299-K303 VanDerWaalsContact O-CB 3.27Å; G299-K303 WeakPolarHBondContact O-CB 3.43Å; G299-K303 WeakPolarHBondContact O-CD 3.21Å; G299-K303 WeakPolarHBondContact O-CG 3.37Å; G299-K303 PolarHBondContact O-N 2.83Å; T301-K303 PolarHBondContact O-N 3.14Å; K303-Q307 WeakPolarHBondContact O-CB 3.46Å; K303-Q307 PolarHBondContact O-N 3.46Å
304R93.9Very high93.5Very high115 Ų11562 Ų6243%0.43431%0.305SS..Hα-helixtrans-67.1-45176-160.5-157-66.894.45.2110.9A300 T301 Q307 Q308A300-R304 WeakPolarHBondContact O-CB 3.37Å; A300-R304 PolarHBondContact O-N 3.46Å; T301-R304 WeakPolarHBondContact O-CA 3.42Å; T301-R304 VanDerWaalsContact O-CB 3.32Å; T301-R304 WeakPolarHBondContact O-CB 3.3Å; T301-R304 PolarHBondContact O-N 2.88Å; R304-Q307 WeakPolarHBondContact O-CB 3.35Å; R304-Q307 PolarHBondContact O-N 2.92Å; R304-Q307 VanDerWaalsContact O-N 3.13Å; R304-Q308 WeakPolarHBondContact O-CB 3.29Å; R304-Q308 PolarHBondContact O-N 2.76Å
305I94.3Very high93.4Very high0 Ų064.9 Ų64.90%032%0.323CS..Hα-helixtrans-58-52.2175.7-60.2175.5000109.8T301 I302 Q307 Q308 T309 I313 A336 E339 I340T301-I305 HydrophobicContact CG2-CD1 4.12Å; T301-I305 PolarHBondContact O-N 3.36Å; T301-I305 VanDerWaalsContact O-N 3.07Å; I302-I305 HydrophobicContact CD1-CD1 4.25Å; I305-Q307 VanDerWaalsContact C-N 3.27Å; I305-Q307 PolarHBondContact O-N 3.32Å; I305-Q308 PolarHBondContact O-N 3.36Å; I305-T309 HydrophobicContact CG2-CG2 4.1Å; I305-T309 WeakPolarHBondContact O-CB 3.39Å; I305-T309 VanDerWaalsContact O-CG2 3.26Å; I305-T309 WeakPolarHBondContact O-CG2 3.27Å; I305-T309 PolarHBondContact O-N 3.07Å; I305-T309 PolarHBondContact O-OG1 3.42Å; I305-I313 HydrophobicContact CB-CD1 4.5Å; I305-I313 HydrophobicContact CG2-CD1 3.89Å; I305-A336 HydrophobicContact CG2-CB 4.44Å; I305-E339 HydrophobicContact CD1-CG 4.39Å; I305-E339 HydrophobicContact CG1-CG 4.01Å; I305-E339 HydrophobicContact CG2-CB 4.18Å; I305-E339 HydrophobicContact CG2-CG 4.32Å; I305-I340 HydrophobicContact CD1-CG1 4.14Å; I305-I340 HydrophobicContact CG2-CG1 4.46Å
306Q94.4Very high93Very high38 Ų3864.6 Ų64.618%0.17832%0.322CS..Hα-helixtrans-53.2-42.8173.6-77171.389.800112.9I302 H310 T311 I313I302-Q306 WeakPolarHBondContact O-CB 3.43Å; I302-Q306 VanDerWaalsContact O-CG 3.32Å; I302-Q306 WeakPolarHBondContact O-CG 3.43Å; I302-Q306 PolarHBondContact O-N 3.4Å; I302-Q306 VanDerWaalsContact O-N 3.11Å; I302-Q306 PolarHBondContact O-NE2 2.95Å; Q306-H310 VanDerWaalsContact O-CA 3.3Å; Q306-H310 WeakPolarHBondContact O-CA 3.33Å; Q306-H310 PolarHBondContact O-N 2.88Å; Q306-T311 WeakPolarHBondContact CA-O 3.42Å; Q306-T311 VanDerWaalsContact CB-O 3.29Å; Q306-T311 WeakPolarHBondContact CB-O 3.45Å; Q306-T311 WeakPolarHBondContact CG-O 3.37Å; Q306-T311 PolarHBondContact O-N 3.43Å; Q306-I313 HydrophobicContact CG-CB 3.8Å; Q306-I313 HydrophobicContact CG-CD1 3.75Å; Q306-I313 HydrophobicContact CG-CG1 3.59Å
307Q95.3Very high92.6Very high138 Ų13866.9 Ų66.965%0.64534%0.335SS*.Hα-helixtrans-70.4-36.1-178.1-174.765.287.700113.8K303 R304 I305 H310K303-Q307 WeakPolarHBondContact O-CB 3.46Å; K303-Q307 PolarHBondContact O-N 3.46Å; R304-Q307 WeakPolarHBondContact O-CB 3.35Å; R304-Q307 PolarHBondContact O-N 2.92Å; R304-Q307 VanDerWaalsContact O-N 3.13Å; I305-Q307 VanDerWaalsContact C-N 3.27Å; I305-Q307 PolarHBondContact O-N 3.32Å; Q307-H310 PolarHBondContact O-CE1 3.46Å; Q307-H310 PolarHBondContact O-ND1 3.44Å
308Q94.3Very high91.9Very high96 Ų9672.6 Ų72.645%0.44934%0.343SS..Hα-helixtrans-79.9-37.4179-79.4172.5-135.100112.9R304 I305 E339R304-Q308 WeakPolarHBondContact O-CB 3.29Å; R304-Q308 PolarHBondContact O-N 2.76Å; I305-Q308 PolarHBondContact O-N 3.36Å; Q308-E339 PolarHBondContact NE2-OE1 3.12Å
309T94.4Very high91.5Very high1 Ų170 Ų701%0.00634%0.339CS..Hα-helixtrans-87.4-20.8-177.160.40000112.2I305 T311 N332 R335 A336I305-T309 HydrophobicContact CG2-CG2 4.1Å; I305-T309 WeakPolarHBondContact O-CB 3.39Å; I305-T309 VanDerWaalsContact O-CG2 3.26Å; I305-T309 WeakPolarHBondContact O-CG2 3.27Å; I305-T309 PolarHBondContact O-N 3.07Å; I305-T309 PolarHBondContact O-OG1 3.42Å; T309-T311 VanDerWaalsContact C-N 3.33Å; T309-T311 PolarHBondContact OG1-N 3.32Å; T309-T311 PolarHBondContact OG1-OG1 3.31Å; T309-N332 WeakPolarHBondContact O-CB 3.22Å; T309-N332 PolarHBondContact O-ND2 2.97Å; T309-N332 PolarHBondContact O-OD1 2.62Å; T309-R335 PolarHBondContact O-NH2 3.29Å; T309-A336 VanDerWaalsContact CG2-CA 3.48Å; T309-A336 HydrophobicContact CG2-CB 3.65Å
310H92.8Very high91Very high129 Ų12976 Ų7660%0.59736%0.362SS*.THydrogen-bonded Turntrans59.341.8-167.9-47.9-61.4000112.6Q306 Q307Q306-H310 VanDerWaalsContact O-CA 3.3Å; Q306-H310 WeakPolarHBondContact O-CA 3.33Å; Q306-H310 PolarHBondContact O-N 2.88Å; Q307-H310 PolarHBondContact O-CE1 3.46Å; Q307-H310 PolarHBondContact O-ND1 3.44Å
311T95.4Very high90.5Very high12 Ų1279.2 Ų79.27%0.07437%0.369CS..  trans-109.7161.4170.460.80000111.3Q306 T309 V326 T327 N332 V333 A336Q306-T311 WeakPolarHBondContact CA-O 3.42Å; Q306-T311 VanDerWaalsContact CB-O 3.29Å; Q306-T311 WeakPolarHBondContact CB-O 3.45Å; Q306-T311 WeakPolarHBondContact CG-O 3.37Å; Q306-T311 PolarHBondContact O-N 3.43Å; T309-T311 VanDerWaalsContact C-N 3.33Å; T309-T311 PolarHBondContact OG1-N 3.32Å; T309-T311 PolarHBondContact OG1-OG1 3.31Å; T311-V326 HydrophobicContact CG2-CG1 4.07Å; T311-T327 WeakPolarHBondContact CA-O 3.35Å; T311-T327 WeakPolarHBondContact CB-O 3.49Å; T311-N332 VanDerWaalsContact CG2-C 3.45Å; T311-N332 HydrophobicContact CG2-CB 3.83Å; T311-N332 VanDerWaalsContact CG2-O 3.26Å; T311-N332 WeakPolarHBondContact CG2-O 3.35Å; T311-V333 HydrophobicContact CG2-CG2 3.99Å; T311-A336 HydrophobicContact CG2-CB 3.74Å; T311-A336 WeakPolarHBondContact OG1-CB 3.46Å
312Y94.5Very high90.4Very high151 Ų15179.9 Ų79.959%0.59237%0.373SS*.EExtended strand (participates in β ladder)trans-102.3131.9164.7-178.9-109.9000108.6V314 V326 T327Y312-V314 HydrophobicContact CD1-CG2 4.26Å; Y312-V314 HydrophobicContact CE1-CG2 3.73Å; Y312-V326 WeakPolarHBondContact O-CA 3.47Å; Y312-T327 PolarHBondContact N-O 2.99Å; Y312-T327 PolarHBondContact O-N 3.01Å
313I94.3Very high90.2Very high6 Ų680.8 Ų80.83%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-126.7112.4-177.3-54.7171.8000110.7I302 I305 Q306 T315 F324 E325 V326 A336 I340I302-I313 HydrophobicContact CD1-CB 4.19Å; I302-I313 HydrophobicContact CD1-CD1 3.65Å; I302-I313 HydrophobicContact CD1-CG2 3.9Å; I302-I313 HydrophobicContact CG1-CB 4.21Å; I302-I313 HydrophobicContact CG1-CD1 4.42Å; I302-I313 HydrophobicContact CG1-CG2 4.11Å; I305-I313 HydrophobicContact CB-CD1 4.5Å; I305-I313 HydrophobicContact CG2-CD1 3.89Å; Q306-I313 HydrophobicContact CG-CB 3.8Å; Q306-I313 HydrophobicContact CG-CD1 3.75Å; Q306-I313 HydrophobicContact CG-CG1 3.59Å; I313-T315 PolarHBondContact O-N 3.4Å; I313-F324 HydrophobicContact CG2-CB 3.92Å; I313-F324 HydrophobicContact CG2-CD1 3.81Å; I313-F324 HydrophobicContact CG2-CG 4.21Å; I313-E325 WeakPolarHBondContact CA-O 3.38Å; I313-V326 HydrophobicContact CG1-CB 4.42Å; I313-V326 HydrophobicContact CG1-CG1 4.03Å; I313-V326 HydrophobicContact CG1-CG2 4.11Å; I313-V326 HydrophobicContact CG2-CG2 4.16Å; I313-A336 HydrophobicContact CD1-CB 4.47Å; I313-I340 HydrophobicContact CD1-CD1 4.21Å
314V92.8Very high90.1Very high57 Ų5774.4 Ų74.435%0.34535%0.351SS..EExtended strand (participates in β ladder)trans-74.8120172.9-172.10000108.7Y312 E325Y312-V314 HydrophobicContact CD1-CG2 4.26Å; Y312-V314 HydrophobicContact CE1-CG2 3.73Å; V314-E325 HydrophobicContact CB-CB 4.06Å; V314-E325 HydrophobicContact CG2-CB 4.21Å; V314-E325 PolarHBondContact N-O 3.22Å; V314-E325 PolarHBondContact O-N 2.81Å
315T89.9Confident90.1Very high60 Ų6073.1 Ų73.137%0.36835%0.35SS..PPolyproline II helixtrans-79.9125.3171.6-61.50000109.4V295 I313 F324V295-T315 HydrophobicContact CG2-CG2 3.49Å; V295-T315 VanDerWaalsContact CG2-CG2 3.49Å; I313-T315 PolarHBondContact O-N 3.4Å; T315-F324 HydrophobicContact CG2-CE1 4.19Å
316P86.5Confident90.1Very high24 Ų2473.1 Ų73.116%0.15635%0.35CS..PPolyproline II helixtrans-64.1149.1178.125.6-33.5000111.7E321 V323P316-E321 WeakPolarHBondContact CB-O 3.38Å; P316-V323 WeakPolarHBondContact CB-O 3.21Å; P316-V323 WeakPolarHBondContact CD-O 3.46Å; P316-V323 WeakPolarHBondContact CG-O 3.35Å
317S82.2Confident90.1Very high61 Ų6172.8 Ų72.843%0.42735%0.351SS..PPolyproline II helixtrans-64.7149.4170.9-45.20000110.2D319 K320S317-D319 PolarHBondContact O-N 3.12Å; S317-K320 PolarHBondContact O-N 2.81Å; S317-K320 VanDerWaalsContact O-N 3.12Å
318R77.2Confident90Very high228 Ų22866.3 Ų66.386%0.8632%0.321SS*.THydrogen-bonded Turntrans-56-29.2-177.6-170.5178.5-173.8-177.61.2113.5
319D81.3Confident89.8Confident148 Ų14866 Ų6679%0.79132%0.321SS*.THydrogen-bonded Turntrans-102.917.1-171.8-32.8-78.2000112.3S317S317-D319 PolarHBondContact O-N 3.12Å
320K80.4Confident89.6Confident135 Ų13568.4 Ų68.459%0.58734%0.337SS*.SBendtrans-121.3168.9175.8-69.2-176.8179.1-1780110.5Y288 S317Y288-K320 WeakPolarHBondContact CE1-O 3.31Å; Y288-K320 PolarHBondContact OH-O 3.31Å; S317-K320 PolarHBondContact O-N 2.81Å; S317-K320 VanDerWaalsContact O-N 3.12Å
321E84.6Confident89.5Confident117 Ų11767.8 Ų67.855%0.54733%0.334SS..  trans-52.4144.9171.3-68.6-169.4-172.500111.8R285 P316 V323R285-E321 IonicContact NH2-OE2 3.54Å; P316-E321 WeakPolarHBondContact CB-O 3.38Å; E321-V323 HydrophobicContact CB-CG2 3.73Å; E321-V323 PolarHBondContact O-N 3.09Å
322P90.2Very high89.4Confident22 Ų2268.6 Ų68.614%0.14334%0.338CS..SBendtrans-83.559.1-173.137-36.6000111V286 Y288 V291V286-P322 HydrophobicContact CG2-CB 4.47Å; V286-P322 PolarHBondContact N-O 2.86Å; V286-P322 WeakPolarHBondContact O-CB 3.35Å; V286-P322 WeakPolarHBondContact O-CG 3.39Å; Y288-P322 HydrophobicContact CD1-CB 3.95Å; Y288-P322 HydrophobicContact CD1-CG 4.27Å; Y288-P322 HydrophobicContact CD2-CB 4.47Å; Y288-P322 HydrophobicContact CD2-CG 3.96Å; Y288-P322 HydrophobicContact CE1-CB 4.11Å; Y288-P322 HydrophobicContact CE1-CG 4.24Å; Y288-P322 HydrophobicContact CE2-CG 3.92Å; Y288-P322 HydrophobicContact CG-CB 4.15Å; Y288-P322 HydrophobicContact CG-CG 4.15Å; V291-P322 HydrophobicContact CG2-CB 3.69Å
323V90.9Very high89.4Confident24 Ų2461.4 Ų61.415%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-110.3119.7-176.5-164.70000109.3Q283 R285 P316 E321Q283-V323 HydrophobicContact CB-CG1 3.62Å; Q283-V323 HydrophobicContact CG-CG1 4.05Å; R285-V323 HydrophobicContact CG-CG1 4.18Å; R285-V323 HydrophobicContact CG-CG2 4.08Å; P316-V323 WeakPolarHBondContact CB-O 3.21Å; P316-V323 WeakPolarHBondContact CD-O 3.46Å; P316-V323 WeakPolarHBondContact CG-O 3.35Å; E321-V323 HydrophobicContact CB-CG2 3.73Å; E321-V323 PolarHBondContact O-N 3.09Å
324F92.9Very high89.4Confident0 Ų065.2 Ų65.20%033%0.33CS..EExtended strand (participates in β ladder)trans-83.9127.6167.4-68.5-77.6000109.3Q283 V284 V286 V291 V294 V295 I313 T315 V326Q283-F324 CarbonylContact C-O 3.53Å; Q283-F324 WeakPolarHBondContact CA-O 3.43Å; V284-F324 HydrophobicContact CB-CB 4.4Å; V284-F324 PolarHBondContact N-O 2.99Å; V284-F324 PolarHBondContact O-N 3Å; V286-F324 HydrophobicContact CG1-CD2 3.95Å; V286-F324 HydrophobicContact CG1-CE2 4.04Å; V286-F324 HydrophobicContact CG2-CD2 4.15Å; V286-F324 HydrophobicContact CG2-CE2 3.68Å; V291-F324 HydrophobicContact CG1-CZ 4.11Å; V294-F324 HydrophobicContact CB-CE2 4.06Å; V294-F324 HydrophobicContact CB-CZ 3.94Å; V294-F324 HydrophobicContact CG1-CD2 4.47Å; V294-F324 HydrophobicContact CG1-CE1 4.32Å; V294-F324 HydrophobicContact CG1-CE2 3.62Å; V294-F324 HydrophobicContact CG1-CZ 3.54Å; V295-F324 HydrophobicContact CG2-CE1 4.13Å; V295-F324 HydrophobicContact CG2-CZ 4.17Å; I313-F324 HydrophobicContact CG2-CB 3.92Å; I313-F324 HydrophobicContact CG2-CD1 3.81Å; I313-F324 HydrophobicContact CG2-CG 4.21Å; T315-F324 HydrophobicContact CG2-CE1 4.19Å; F324-V326 HydrophobicContact CB-CG2 4.45Å
325E93.9Very high89.4Confident88 Ų8867.9 Ų67.941%0.41133%0.334SS..EExtended strand (participates in β ladder)trans-92.7117.6170.5-169.7-178.8170.300108.3I313 V314I313-E325 WeakPolarHBondContact CA-O 3.38Å; V314-E325 HydrophobicContact CB-CB 4.06Å; V314-E325 HydrophobicContact CG2-CB 4.21Å; V314-E325 PolarHBondContact N-O 3.22Å; V314-E325 PolarHBondContact O-N 2.81Å
326V94.8Very high89.7Confident0 Ų065 Ų650%032%0.317CS..EExtended strand (participates in β ladder)trans-113.1117.3-173.5-175.20000109.2T281 I282 V284 T311 Y312 I313 F324 V333 A336 I340T281-V326 WeakPolarHBondContact CA-O 3.39Å; I282-V326 PolarHBondContact N-O 3.28Å; I282-V326 PolarHBondContact O-N 3.44Å; V284-V326 HydrophobicContact CB-CG2 4.48Å; V284-V326 HydrophobicContact CG2-CG2 3.77Å; T311-V326 HydrophobicContact CG2-CG1 4.07Å; Y312-V326 WeakPolarHBondContact O-CA 3.47Å; I313-V326 HydrophobicContact CG1-CB 4.42Å; I313-V326 HydrophobicContact CG1-CG1 4.03Å; I313-V326 HydrophobicContact CG1-CG2 4.11Å; I313-V326 HydrophobicContact CG2-CG2 4.16Å; F324-V326 HydrophobicContact CB-CG2 4.45Å; V326-V333 HydrophobicContact CB-CG1 4.13Å; V326-V333 HydrophobicContact CG1-CB 4.32Å; V326-V333 HydrophobicContact CG1-CG1 3.81Å; V326-V333 HydrophobicContact CG1-CG2 4.22Å; V326-A336 HydrophobicContact CG1-CB 3.83Å; V326-I340 HydrophobicContact CG2-CD1 4.18Å
327T93.6Very high90.1Very high31 Ų3168.9 Ų68.919%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-115.7132.4-175.9-47.50000111.2T280 T281 T311 Y312T280-T327 WeakPolarHBondContact O-CA 3.47Å; T281-T327 HydrophobicContact CG2-CG2 3.79Å; T311-T327 WeakPolarHBondContact CA-O 3.35Å; T311-T327 WeakPolarHBondContact CB-O 3.49Å; Y312-T327 PolarHBondContact N-O 2.99Å; Y312-T327 PolarHBondContact O-N 3.01Å
328G92.5Very high90.6Very high3 Ų372.4 Ų72.43%0.03134%0.337CS..EExtended strand (participates in β ladder)trans169.4-166.8176.900000114.2Q279 T280 V333Q279-G328 CarbonylContact C-O 3.14Å; Q279-G328 VanDerWaalsContact CA-O 3.31Å; Q279-G328 WeakPolarHBondContact CA-O 3.28Å; T280-G328 PolarHBondContact N-O 3.03Å; T280-G328 PolarHBondContact O-N 3.15Å; T280-G328 VanDerWaalsContact O-N 3.12Å; G328-V333 VanDerWaalsContact N-CG2 3.28Å
329M90.4Very high91.3Very high89 Ų8963.8 Ų63.844%0.43831%0.307SS..  trans-61.1145.7165.6-63.5-68.7-60.200109.7E331 N332 V333M329-E331 VanDerWaalsContact C-N 3.34Å; M329-E331 PolarHBondContact O-N 3.41Å; M329-N332 HydrophobicContact CB-CB 4.1Å; M329-N332 WeakPolarHBondContact O-CA 3.21Å; M329-N332 WeakPolarHBondContact O-CB 3.01Å; M329-N332 PolarHBondContact O-N 2.82Å; M329-V333 WeakPolarHBondContact O-CG2 3.19Å; M329-V333 PolarHBondContact O-N 2.65Å
330P91Very high91.9Very high52 Ų5256.8 Ų56.834%0.33827%0.27SS..Hα-helixtrans-55.9-45.2-177.819.9-29.2000113T280 N332 V333 D334T280-P330 HydrophobicContact CG2-CB 4.1Å; P330-N332 PolarHBondContact O-N 3.49Å; P330-N332 VanDerWaalsContact O-N 3.09Å; P330-V333 PolarHBondContact O-N 3.12Å; P330-V333 VanDerWaalsContact O-N 3.08Å; P330-D334 PolarHBondContact O-N 3.05Å
331E89.7Confident92.4Very high116 Ų11654.1 Ų54.154%0.54226%0.259SS..Hα-helixtrans-65.3-16.7178.2-45.781.1178.300113.1M329 R335M329-E331 VanDerWaalsContact C-N 3.34Å; M329-E331 PolarHBondContact O-N 3.41Å; E331-R335 WeakPolarHBondContact O-CD 3.29Å; E331-R335 VanDerWaalsContact O-CG 3.25Å; E331-R335 WeakPolarHBondContact O-CG 3.44Å; E331-R335 PolarHBondContact O-NE 2.85Å
332N94Very high92.7Very high29 Ų2950.4 Ų50.416%0.15525%0.249CC..Hα-helixtrans-92.7-37.4174.5-72.4-8.6000111.6T309 T311 M329 P330 R335 A336T309-N332 WeakPolarHBondContact O-CB 3.22Å; T309-N332 PolarHBondContact O-ND2 2.97Å; T309-N332 PolarHBondContact O-OD1 2.62Å; T311-N332 VanDerWaalsContact CG2-C 3.45Å; T311-N332 HydrophobicContact CG2-CB 3.83Å; T311-N332 VanDerWaalsContact CG2-O 3.26Å; T311-N332 WeakPolarHBondContact CG2-O 3.35Å; M329-N332 HydrophobicContact CB-CB 4.1Å; M329-N332 WeakPolarHBondContact O-CA 3.21Å; M329-N332 WeakPolarHBondContact O-CB 3.01Å; M329-N332 PolarHBondContact O-N 2.82Å; P330-N332 PolarHBondContact O-N 3.49Å; P330-N332 VanDerWaalsContact O-N 3.09Å; N332-R335 PolarHBondContact OD1-NH2 3.39Å; N332-A336 VanDerWaalsContact O-CB 3.3Å; N332-A336 WeakPolarHBondContact O-CB 3.22Å; N332-A336 PolarHBondContact O-N 3.42Å
333V94.1Very high92.7Very high0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-70.9-40.7-180176.20000111.1T280 I282 T311 V326 G328 M329 P330 A336 R337T280-V333 HydrophobicContact CG2-CB 3.92Å; T280-V333 HydrophobicContact CG2-CG1 4.19Å; T280-V333 HydrophobicContact CG2-CG2 3.83Å; I282-V333 HydrophobicContact CB-CG1 3.58Å; I282-V333 HydrophobicContact CD1-CG1 3.75Å; I282-V333 HydrophobicContact CG1-CG1 3.64Å; T311-V333 HydrophobicContact CG2-CG2 3.99Å; V326-V333 HydrophobicContact CB-CG1 4.13Å; V326-V333 HydrophobicContact CG1-CB 4.32Å; V326-V333 HydrophobicContact CG1-CG1 3.81Å; V326-V333 HydrophobicContact CG1-CG2 4.22Å; G328-V333 VanDerWaalsContact N-CG2 3.28Å; M329-V333 WeakPolarHBondContact O-CG2 3.19Å; M329-V333 PolarHBondContact O-N 2.65Å; P330-V333 PolarHBondContact O-N 3.12Å; P330-V333 VanDerWaalsContact O-N 3.08Å; V333-A336 PolarHBondContact O-N 2.89Å; V333-R337 WeakPolarHBondContact O-CB 3.27Å; V333-R337 PolarHBondContact O-N 2.88Å
334D93.5Very high92.6Very high85 Ų8550.6 Ų50.646%0.45525%0.247SC..Hα-helixtrans-65-43.6175.6-69.5-36.9000111.5P330 A336 R337 E338P330-D334 PolarHBondContact O-N 3.05Å; D334-A336 VanDerWaalsContact C-N 3.33Å; D334-A336 PolarHBondContact O-N 3.45Å; D334-R337 WeakPolarHBondContact O-CB 3.45Å; D334-R337 PolarHBondContact O-N 2.89Å; D334-E338 PolarHBondContact O-N 2.85Å
335R94.4Very high92.3Very high114 Ų11453.8 Ų53.843%0.4327%0.273SS..Hα-helixtrans-62.9-36.1172.7-68.4-173.5-54.3131.65112.8T309 E331 N332 E339T309-R335 PolarHBondContact O-NH2 3.29Å; E331-R335 WeakPolarHBondContact O-CD 3.29Å; E331-R335 VanDerWaalsContact O-CG 3.25Å; E331-R335 WeakPolarHBondContact O-CG 3.44Å; E331-R335 PolarHBondContact O-NE 2.85Å; N332-R335 PolarHBondContact OD1-NH2 3.39Å; R335-E339 WeakPolarHBondContact O-CB 3.39Å; R335-E339 PolarHBondContact O-N 3.2Å
336A95.1Very high91.6Very high0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-69.8-37.5176.300000112.5I305 T309 T311 I313 V326 N332 V333 D334 I340I305-A336 HydrophobicContact CG2-CB 4.44Å; T309-A336 VanDerWaalsContact CG2-CA 3.48Å; T309-A336 HydrophobicContact CG2-CB 3.65Å; T311-A336 HydrophobicContact CG2-CB 3.74Å; T311-A336 WeakPolarHBondContact OG1-CB 3.46Å; I313-A336 HydrophobicContact CD1-CB 4.47Å; V326-A336 HydrophobicContact CG1-CB 3.83Å; N332-A336 VanDerWaalsContact O-CB 3.3Å; N332-A336 WeakPolarHBondContact O-CB 3.22Å; N332-A336 PolarHBondContact O-N 3.42Å; V333-A336 PolarHBondContact O-N 2.89Å; D334-A336 VanDerWaalsContact C-N 3.33Å; D334-A336 PolarHBondContact O-N 3.45Å; A336-I340 WeakPolarHBondContact O-CD1 3.29Å; A336-I340 VanDerWaalsContact O-CG1 3.23Å; A336-I340 WeakPolarHBondContact O-CG1 3.33Å; A336-I340 PolarHBondContact O-N 2.93Å
337R94.4Very high90.8Very high104 Ų10464.2 Ų64.239%0.39232%0.319SS..Hα-helixtrans-62.4-50171.5174176.8174.4-127.1-27.9110.9V284 V333 D334 E339 I340 E341V284-R337 HydrophobicContact CG1-CG 4.32Å; V284-R337 HydrophobicContact CG2-CB 3.84Å; V284-R337 HydrophobicContact CG2-CG 3.78Å; V333-R337 WeakPolarHBondContact O-CB 3.27Å; V333-R337 PolarHBondContact O-N 2.88Å; D334-R337 WeakPolarHBondContact O-CB 3.45Å; D334-R337 PolarHBondContact O-N 2.89Å; R337-E339 PolarHBondContact O-N 2.85Å; R337-I340 PolarHBondContact O-N 3.34Å; R337-E341 WeakPolarHBondContact CG-OE1 3.32Å; R337-E341 IonicContact CZ-OE1 3.29Å; R337-E341 VanDerWaalsContact CZ-OE1 3.29Å; R337-E341 IonicContact NE-OE1 2.73Å; R337-E341 PolarHBondContact NE-OE1 2.88Å; R337-E341 IonicContact NH2-OE1 2.95Å; R337-E341 PolarHBondContact NH2-OE1 3.02Å; R337-E341 IonicContact NH2-OE2 3.25Å; R337-E341 PolarHBondContact NH2-OE2 2.84Å; R337-E341 WeakPolarHBondContact O-CG 3.46Å; R337-E341 PolarHBondContact O-N 2.94Å
338E93.3Very high90Very high135 Ų13565.6 Ų65.663%0.63133%0.327SS*.Hα-helixtrans-58.7-45176.1-173.9-179.1-162.600111.5D334 I340 E341 A342D334-E338 PolarHBondContact O-N 2.85Å; E338-I340 VanDerWaalsContact C-N 3.33Å; E338-I340 PolarHBondContact O-N 3.03Å; E338-E341 PolarHBondContact O-N 3.18Å; E338-A342 WeakPolarHBondContact O-CB 3.3Å; E338-A342 PolarHBondContact O-N 3.26Å
339E93Very high88.3Confident48 Ų4868 Ų6822%0.22435%0.353CS..Hα-helixtrans-64.1-35.5178.2-166.2176.3179.400112I305 Q308 R335 R337 H343I305-E339 HydrophobicContact CD1-CG 4.39Å; I305-E339 HydrophobicContact CG1-CG 4.01Å; I305-E339 HydrophobicContact CG2-CB 4.18Å; I305-E339 HydrophobicContact CG2-CG 4.32Å; Q308-E339 PolarHBondContact NE2-OE1 3.12Å; R335-E339 WeakPolarHBondContact O-CB 3.39Å; R335-E339 PolarHBondContact O-N 3.2Å; R337-E339 PolarHBondContact O-N 2.85Å; E339-H343 WeakPolarHBondContact O-CB 3.5Å; E339-H343 PolarHBondContact O-N 3.13Å
340I93.5Very high86.6Confident0 Ų070 Ų700%038%0.375CS..Hα-helixtrans-65.4-51.4171.8-67.5160.3000111.1V284 V286 V294 I305 I313 V326 A336 R337 E338 A342 H343 I344V284-I340 HydrophobicContact CB-CD1 4.42Å; V284-I340 HydrophobicContact CG1-CB 4.43Å; V284-I340 HydrophobicContact CG1-CD1 4.3Å; V284-I340 HydrophobicContact CG1-CG2 4.02Å; V284-I340 HydrophobicContact CG2-CD1 4.45Å; V286-I340 HydrophobicContact CG1-CG2 3.96Å; V294-I340 HydrophobicContact CG1-CG1 4.34Å; V294-I340 HydrophobicContact CG1-CG2 4.05Å; V294-I340 HydrophobicContact CG2-CG2 4.29Å; I305-I340 HydrophobicContact CD1-CG1 4.14Å; I305-I340 HydrophobicContact CG2-CG1 4.46Å; I313-I340 HydrophobicContact CD1-CD1 4.21Å; V326-I340 HydrophobicContact CG2-CD1 4.18Å; A336-I340 WeakPolarHBondContact O-CD1 3.29Å; A336-I340 VanDerWaalsContact O-CG1 3.23Å; A336-I340 WeakPolarHBondContact O-CG1 3.33Å; A336-I340 PolarHBondContact O-N 2.93Å; R337-I340 PolarHBondContact O-N 3.34Å; E338-I340 VanDerWaalsContact C-N 3.33Å; E338-I340 PolarHBondContact O-N 3.03Å; I340-A342 PolarHBondContact O-N 3.1Å; I340-H343 PolarHBondContact O-N 2.96Å; I340-I344 HydrophobicContact CG2-CD1 4.02Å; I340-I344 WeakPolarHBondContact O-CG1 3.36Å; I340-I344 PolarHBondContact O-N 3.35Å
341E91.6Very high84.3Confident79 Ų7973.1 Ų73.137%0.36940%0.397SS..Hα-helixtrans-63.3-42.8-176.7-71.5177.1-165.700110.9R337 E338 I344 A345R337-E341 WeakPolarHBondContact CG-OE1 3.32Å; R337-E341 IonicContact CZ-OE1 3.29Å; R337-E341 VanDerWaalsContact CZ-OE1 3.29Å; R337-E341 IonicContact NE-OE1 2.73Å; R337-E341 PolarHBondContact NE-OE1 2.88Å; R337-E341 IonicContact NH2-OE1 2.95Å; R337-E341 PolarHBondContact NH2-OE1 3.02Å; R337-E341 IonicContact NH2-OE2 3.25Å; R337-E341 PolarHBondContact NH2-OE2 2.84Å; R337-E341 WeakPolarHBondContact O-CG 3.46Å; R337-E341 PolarHBondContact O-N 2.94Å; E338-E341 PolarHBondContact O-N 3.18Å; E341-I344 WeakPolarHBondContact O-CB 3.11Å; E341-I344 PolarHBondContact O-N 3.4Å; E341-A345 PolarHBondContact O-N 2.95Å
342A90.4Very high81.8Confident40 Ų4071.1 Ų71.133%0.33141%0.407SS..Hα-helixtrans-66-39.4173.300000112.8E338 I340 I344 A345 L346E338-A342 WeakPolarHBondContact O-CB 3.3Å; E338-A342 PolarHBondContact O-N 3.26Å; I340-A342 PolarHBondContact O-N 3.1Å; A342-I344 PolarHBondContact O-N 3.32Å; A342-A345 PolarHBondContact O-N 3.46Å; A342-L346 VanDerWaalsContact O-CB 3.32Å; A342-L346 WeakPolarHBondContact O-CB 3.36Å; A342-L346 WeakPolarHBondContact O-CG 3.45Å; A342-L346 PolarHBondContact O-N 3.45Å
343H89.1Confident79.3Confident21 Ų2173.4 Ų73.410%0.09744%0.437CS..Hα-helixtrans-62.7-32.4176.1-161.295.8000112.3T301 E339 I340 R347T301-H343 WeakPolarHBondContact CG2-CE1 3.5Å; T301-H343 WeakPolarHBondContact CG2-NE2 3.3Å; E339-H343 WeakPolarHBondContact O-CB 3.5Å; E339-H343 PolarHBondContact O-N 3.13Å; I340-H343 PolarHBondContact O-N 2.96Å; H343-R347 PolarHBondContact CE1-NE 3.34Å; H343-R347 PolarHBondContact CE1-NH1 2.96Å; H343-R347 VanDerWaalsContact NE2-CD 3.3Å; H343-R347 WeakPolarHBondContact NE2-CD 3.26Å; H343-R347 PolarHBondContact NE2-NE 3.11Å; H343-R347 PolarHBondContact NE2-NH1 2.78Å; H343-R347 WeakPolarHBondContact O-CB 3.5Å
344I89.9Confident77.1Confident29 Ų2980 Ų8015%0.14948%0.478CS..Hα-helixtrans-70.5-54.7171.9-66.4163.8000109.7V286 V290 V294 I340 E341 A342 L346 R347 T348V286-I344 HydrophobicContact CB-CD1 3.75Å; V286-I344 HydrophobicContact CG1-CD1 3.49Å; V286-I344 VanDerWaalsContact CG1-CD1 3.49Å; V290-I344 HydrophobicContact CB-CG1 4.28Å; V290-I344 HydrophobicContact CB-CG2 4.37Å; V290-I344 HydrophobicContact CG1-CG2 4.29Å; V290-I344 HydrophobicContact CG2-CD1 3.81Å; V290-I344 HydrophobicContact CG2-CG1 3.78Å; V290-I344 HydrophobicContact CG2-CG2 3.96Å; V294-I344 HydrophobicContact CG2-CD1 3.9Å; V294-I344 HydrophobicContact CG2-CG1 3.55Å; I340-I344 HydrophobicContact CG2-CD1 4.02Å; I340-I344 WeakPolarHBondContact O-CG1 3.36Å; I340-I344 PolarHBondContact O-N 3.35Å; E341-I344 WeakPolarHBondContact O-CB 3.11Å; E341-I344 PolarHBondContact O-N 3.4Å; A342-I344 PolarHBondContact O-N 3.32Å; I344-L346 PolarHBondContact O-N 3.29Å; I344-R347 PolarHBondContact O-N 2.95Å; I344-T348 WeakPolarHBondContact O-CB 3.14Å; I344-T348 PolarHBondContact O-N 3.08Å; I344-T348 PolarHBondContact O-OG1 2.95Å
345A86.6Confident74.6Confident67 Ų6784.7 Ų84.755%0.55450%0.497SS*.Hα-helixtrans-57.2-48.4-176.100000112.8E341 A342 R347E341-A345 PolarHBondContact O-N 2.95Å; A342-A345 PolarHBondContact O-N 3.46Å; A345-R347 PolarHBondContact O-N 2.9Å
346L78.8Confident71.8Confident147 Ų14783.8 Ų83.877%0.7751%0.513SS*.THydrogen-bonded Turntrans-66.8-18.1-178.1-72.1165.9000114.4A342 I344A342-L346 VanDerWaalsContact O-CB 3.32Å; A342-L346 WeakPolarHBondContact O-CB 3.36Å; A342-L346 WeakPolarHBondContact O-CG 3.45Å; A342-L346 PolarHBondContact O-N 3.45Å; I344-L346 PolarHBondContact O-N 3.29Å
347R77.3Confident69.5Low160 Ų16090.2 Ų90.260%0.60456%0.555SS**THydrogen-bonded Turntrans-121.6-15.6-172.4-64.9177.2167.2-149.8-11.3114.4H343 I344 A345 G349H343-R347 PolarHBondContact CE1-NE 3.34Å; H343-R347 PolarHBondContact CE1-NH1 2.96Å; H343-R347 VanDerWaalsContact NE2-CD 3.3Å; H343-R347 WeakPolarHBondContact NE2-CD 3.26Å; H343-R347 PolarHBondContact NE2-NE 3.11Å; H343-R347 PolarHBondContact NE2-NH1 2.78Å; H343-R347 WeakPolarHBondContact O-CB 3.5Å; I344-R347 PolarHBondContact O-N 2.95Å; A345-R347 PolarHBondContact O-N 2.9Å; R347-G349 VanDerWaalsContact C-N 3.32Å
348T77.5Confident67.1Low59 Ų5988.9 Ų88.936%0.36257%0.574SS.*SBendtrans-99.716172.5-35.60000110.5V290 I344 S350V290-T348 HydrophobicContact CG1-CG2 3.82Å; V290-T348 WeakPolarHBondContact CG1-OG1 3.16Å; I344-T348 WeakPolarHBondContact O-CB 3.14Å; I344-T348 PolarHBondContact O-N 3.08Å; I344-T348 PolarHBondContact O-OG1 2.95Å; T348-S350 PolarHBondContact O-N 3.31Å
349G56.8Low64.8Low55 Ų5589.3 Ų89.357%0.56759%0.586SS**THydrogen-bonded Turntrans-51.5103.8-169.400000114R347R347-G349 VanDerWaalsContact C-N 3.32Å
350S55.7Low62.3Low129 Ų12992.7 Ų92.790%0.90261%0.605SS**THydrogen-bonded Turntrans39.272.2168.2-154.10000116.7T348T348-S350 PolarHBondContact O-N 3.31Å
351C41.1Very low59.9Low119 Ų11999 Ų9980%0.80464%0.639SS**  trans-14060.7166.458.60000113.4
352G38.5Very low57.7Low73 Ų73101 Ų10175%0.75366%0.662SS**  trans147.9115.916300000115.2
353G41.1Very low55.7Low77 Ų77105.1 Ų105.179%0.79468%0.678SS**  trans-70.8179.2148.500000110.2
354V47.1Very low53.6Low140 Ų140114.1 Ų114.185%0.84872%0.717SS**  cis-143.2178.110.6-76.70000107.1
355E42.1Very low51.7Low183 Ų183119.2 Ų119.286%0.85574%0.741SS**  cis-145.7152.121.6-57.8170.6110.300111.5
356A35.7Very low49.8Very low94 Ų94126.3 Ų126.378%0.77776%0.759SS**  trans-147.9126.1152.800000107.3
357P45.8Very low48.3Very low135 Ų135126.7 Ų126.788%0.87776%0.762SS**  trans-85.9133.6-168.231.8-34.3000113.2
358G45Very low46.2Very low76 Ų76122.2 Ų122.278%0.78477%0.766SS**  trans90.578.7155.900000117.4
359V44.3Very low44.3Very low145 Ų145125.9 Ų125.988%0.87979%0.788SS**  trans-151.7150.6132.31260000108.8
360D39.8Very low43.3Very low119 Ų119128.5 Ų128.564%0.63679%0.789SS**  trans-107.9169.6-167.656.6-35.4000113.9
361N44.5Very low42.4Very low133 Ų133128.1 Ų128.171%0.71178%0.781SS**  trans59.597.1163.1-49-40.4000119
362S44.6Very low41.9Very low121 Ų121127.1 Ų127.185%0.84678%0.776SS**  trans-162.261.7140.8-82.90000111.2F364S362-F364 PolarHBondContact O-N 3.09Å
363D48.1Very low41.6Very low126 Ų126132.5 Ų132.567%0.67478%0.779SS**  trans-81.856.7179.4-166.220.8000112.1Q365D363-Q365 VanDerWaalsContact CG-NE2 3.27Å; D363-Q365 PolarHBondContact O-N 2.75Å; D363-Q365 WeakPolarHBondContact OD1-CG 3.39Å; D363-Q365 PolarHBondContact OD1-NE2 3.26Å; D363-Q365 PolarHBondContact OD2-NE2 3.02Å
364F45.8Very low41.3Very low209 Ų209136.2 Ų136.292%0.91778%0.78SS**  trans-89.189.9171.2-103.2-83.9000109.8S362S362-F364 PolarHBondContact O-N 3.09Å
365Q50.1Low40.5Very low137 Ų137135.2 Ų135.264%0.6477%0.774SS**  trans-70.7143.9-165.6-66.8173.80.300113.7D363 N367D363-Q365 VanDerWaalsContact CG-NE2 3.27Å; D363-Q365 PolarHBondContact O-N 2.75Å; D363-Q365 WeakPolarHBondContact OD1-CG 3.39Å; D363-Q365 PolarHBondContact OD1-NE2 3.26Å; D363-Q365 PolarHBondContact OD2-NE2 3.02Å; Q365-N367 PolarHBondContact O-N 3.28Å
366F45.7Very low40.1Very low215 Ų215131.8 Ų131.894%0.94377%0.771SS**  trans-5592.3162.8169.7-97000110.7
367N47.3Very low39.8Very low156 Ų156134.7 Ų134.783%0.83477%0.773SS**  trans-159.5136.5166.4-146.4-6.5000111.9Q365Q365-N367 PolarHBondContact O-N 3.28Å
368G33.5Very low39.2Very low66 Ų66135.2 Ų135.268%0.6877%0.768SS**  trans81.4149.8-170.400000113.6
369T38.7Very low39.5Very low135 Ų135136.7 Ų136.783%0.82876%0.764SS**  cis-131.4144.110.8-350000111
370D34.8Very low38.7Very low110 Ų110136.7 Ų136.759%0.58876%0.764SS**  trans-73.1168162.965.5-70.8000111.6S372D370-S372 WeakPolarHBondContact OD2-CB 3.23Å; D370-S372 PolarHBondContact OD2-N 3.36Å; D370-S372 PolarHBondContact OD2-OG 2.92Å
371V37.4Very low38.2Very low122 Ų122134.6 Ų134.674%0.73977%0.771SS**  trans-122.968.9169.7-77.50000110.2F373V371-F373 HydrophobicContact CB-CE2 3.96Å; V371-F373 HydrophobicContact CB-CZ 4.35Å
372S31Very low37.6Very low98 Ų98135.6 Ų135.669%0.68578%0.781SS**  trans-71.5126167.6-61.70000110.7D370D370-S372 WeakPolarHBondContact OD2-CB 3.23Å; D370-S372 PolarHBondContact OD2-N 3.36Å; D370-S372 PolarHBondContact OD2-OG 2.92Å
373F31.8Very low36.8Very low186 Ų186133 Ų13382%0.81677%0.773SS**  trans-118.3122.8171.2-64-73.1000111.4V371V371-F373 HydrophobicContact CB-CE2 3.96Å; V371-F373 HydrophobicContact CB-CZ 4.35Å
374D33.5Very low36Very low155 Ų155136.1 Ų136.183%0.82978%0.784SS**  trans85.3152.5155.7-131.2-67000121.8
375T31.1Very low35.4Very low118 Ų118130.9 Ų130.972%0.72478%0.779SS**  trans68.577160.8-47.10000118.2
376S33.7Very low34.4Very low112 Ų112127.3 Ų127.378%0.78378%0.779SS**  trans-61.6134.7145.5-59.50000111.1
377L29.6Very low33.5Very low155 Ų155128.3 Ų128.381%0.81278%0.777SS**  -178.9145.4124.6-99.7166.1000114.3
378N33.6Very low32.8Very low146 Ų146127.2 Ų127.278%0.78177%0.77SS**  trans73148.7163.6-76.53.6000120.3
379P49.7Very low32.8Very low106 Ų106132.4 Ų132.469%0.68878%0.776SS**  trans-138.5-168-13835-11.2000115.6
380V29.1Very low32.4Very low145 Ų145130.9 Ų130.988%0.87978%0.777SS**  trans77.2125.9167.6-171.50000116
381G29.5Very low32.1Very low76 Ų76129 Ų12978%0.78478%0.784SS**  trans168.380.517000000116.3
382V30.4Very low31.8Very low153 Ų153127.8 Ų127.893%0.92779%0.787SS**  trans-61.3149.6178.7-175.50000114.5
383G29.7Very low31.7Very low66 Ų66128.9 Ų128.968%0.6879%0.794SS**  trans105.7128.816200000114
384E30.6Very low31.7Very low193 Ų193125.5 Ų125.590%0.90279%0.794SS**  cis101.3115.229.7-171.4171.8143.700113.9
385A33.7Very low32.4Very low98 Ų98123.4 Ų123.481%0.8179%0.789SS**  trans58157.2172.400000117.7
386G27.5Very low32.4Very low63 Ų63123.4 Ų123.465%0.64979%0.794SS**  cis162.5157.7-11.400000112.7
387W27.4Very low32.1Very low236 Ų236121.7 Ų121.789%0.89479%0.793SS**  trans70.1123.9151.7-67.1111.7000123
388L32Very low32.1Very low133 Ų133118 Ų11870%0.69679%0.793SS**  trans86.1110.5137.3-60166.2000123.9
389H33.9Very low31.9Very low174 Ų174116.4 Ų116.481%0.80679%0.793SS**  47.4127.9126.3-81.2-65.1000125.4
390A30.8Very low31Very low103 Ų103119 Ų11985%0.85180%0.801SS**  trans62.1152.8133.900000121.1
391G27.3Very low31Very low70 Ų70120 Ų12072%0.72280%0.8SS**  cis165.5168.7-9.700000114.6
392A32Very low31.9Very low98 Ų98121.5 Ų121.581%0.8180%0.796SS**  trans70.3155.3160.600000122.4
393S29.8Very low31.9Very low120 Ų120120.7 Ų120.784%0.83979%0.791SS**  trans92.2115.3154.8-42.50000120.4
394S31.9Very low31.8Very low115 Ų115122.1 Ų122.180%0.80479%0.791SS**  trans-91.7178.4156.4-43.10000110.1
395P47.4Very low31.8Very low111 Ų111120 Ų12072%0.72178%0.784SS**  -155.6171.379.540.5-20.7000117.7
396S30.8Very low31.7Very low119 Ų119121.1 Ų121.183%0.83279%0.786SS**  trans59.2145.1151.157.10000121.3
397G28.5Very low31.6Very low75 Ų75121.4 Ų121.477%0.77379%0.789SS**  cis163.3137.8-9.300000114.2
398G29Very low31.8Very low79 Ų79114.8 Ų114.881%0.81478%0.778SS**  trans76.3167.3172.700000116.2
399S29.9Very low31.7Very low111 Ų111116.9 Ų116.978%0.77679%0.785SS**  cis-164.3156.3-21-154.70000111.6
400L29.4Very low31.5Very low161 Ų161118 Ų11884%0.84378%0.782SS**  trans72158.8166.3-53.8-178.4000119.9
401L28.7Very low31.5Very low165 Ų165119.4 Ų119.486%0.86478%0.78SS**  trans-111.6-159.1-177-47.9170.8000108
402P50Low31.5Very low109 Ų109123.2 Ų123.271%0.70878%0.783SS**  cis-136.9-155.3-10.927.10.3000113.2
403V29.4Very low31.5Very low135 Ų135122.9 Ų122.982%0.81878%0.775SS**  trans81.8143.7158.6176.80000117.4
404S27.5Very low31.4Very low97 Ų97124.5 Ų124.568%0.67878%0.775SS**  cis-175.1-180-33-159.40000110.1
405I30.2Very low31.5Very low148 Ų148125.5 Ų125.576%0.75977%0.77SS**  trans79.2134.5152.1-75.1165.4000120.2
406S31.3Very low30.6Very low122 Ų122124.9 Ų124.985%0.85377%0.768SS**  trans65.7152.5163.2-69.60000119.7
407G26.3Very low30.5Very low68 Ų68124.4 Ų124.470%0.70176%0.764SS**  cis156.6129.3-10.400000115.2
408S31.7Very low30.6Very low97 Ų97128 Ų12868%0.67877%0.772SS**  trans65.3102.2161.8-63.80000122R410S408-R410 PolarHBondContact O-NH1 2.94Å
409Q28.8Very low30.7Very low177 Ų177130.7 Ų130.783%0.82777%0.772SS**  trans67.7171.5146.6-55.2174.9-21.100115.4
410R30.2Very low30.9Very low198 Ų198136.8 Ų136.875%0.74778%0.778SS**  cis-163.6151.121.114.2-175.7177.1-66.8-11.9111.1S408S408-R410 PolarHBondContact O-NH1 2.94Å
411V31.1Very low30.8Very low133 Ų133137.3 Ų137.381%0.80678%0.778SS**  trans60.9100.1148.3-1770000120.3
412N28.1Very low31.1Very low149 Ų149135.1 Ų135.180%0.79778%0.776SS**  61145.2117.5-147.324.5000124.5
413S31.6Very low30.2Very low92 Ų92134.9 Ų134.964%0.64378%0.777SS**  trans73.885.5153.4-66.20000123.1
414N28.6Very low30.5Very low154 Ų154135.3 Ų135.382%0.82478%0.781SS**  69.4164.6111.9-156.821000122
415I32.7Very low30.5Very low136 Ų136141.6 Ų141.670%0.69779%0.791SS**  trans89.982.2165.3-49.2-173.2000117.3
416S28.3Very low30.5Very low98 Ų98145 Ų14569%0.68579%0.794SS**  80.6119.4126.2-55.60000123.1
417S30.1Very low30.5Very low108 Ų108145.7 Ų145.776%0.75579%0.788SS**  trans6194.5136.262.30000120.6
418T30.3Very low30.9Very low151 Ų151148.7 Ų148.793%0.92679%0.788SS**  -149.1154123.6-9.80000110.4
419V31Very low31.1Very low135 Ų135149.7 Ų149.782%0.81880%0.795SS**  trans-100.6119.4-159.1178.90000113.3
420R34.2Very low31.4Very low239 Ų239146.3 Ų146.390%0.90279%0.791SS**  trans-157.784.6148.2-72.8-155-159.6-161.38.5112.4
421M27.3Very low31.5Very low173 Ų173142 Ų14285%0.85279%0.792SS**  trans-143.7136.1155.6-72.7-174.9156.200106.5
422S34.9Very low31.8Very low118 Ų118140.7 Ų140.783%0.82579%0.788SS**  cis73.867.919.7-43.80000115.1
423S30.1Very low32Very low104 Ų104141.8 Ų141.873%0.72779%0.793SS**  trans-149140.3154.252.90000111.5
424T36.9Very low31.9Very low145 Ų145140.4 Ų140.489%0.8979%0.793SS**  trans-67138.6163.8-5.30000108.9
425Y27.6Very low32.1Very low228 Ų228139.5 Ų139.589%0.89480%0.799SS**  trans-77165.6-167.3-132.9-101.5000114.4
426R30.1Very low31.7Very low220 Ų220136.9 Ų136.983%0.8381%0.806SS**  trans-113.2141.5-171.8-84.7179.7170175.7-4.3113.2
427N31.5Very low31.9Very low136 Ų136137.3 Ų137.373%0.72781%0.809SS**  57.3145128.3-138.594.1000122.7
428D33.3Very low32.1Very low131 Ų131137.6 Ų137.670%0.70181%0.811SS**  trans-45.3157.7174.9-13.8-57.3000118.9
429S36Very low32.2Very low118 Ų118135.7 Ų135.783%0.82580%0.804SS**  trans-172.8162.3135.2-74.30000109
430S34.8Very low32.1Very low106 Ų106133.2 Ų133.274%0.74180%0.797SS**  cis-141.1173.315.4-50.80000109.6
431S32.9Very low31.7Very low108 Ų108129.5 Ų129.576%0.75580%0.795SS**  cis-150.8136.124.5-66.60000109.4
432S37.8Very low32Very low105 Ų105126.5 Ų126.573%0.73479%0.792SS**  73.9133.171.7-52.80000113.7
433L32.7Very low31.6Very low172 Ų172130.3 Ų130.390%0.90179%0.793SS**  cis-136.5175.810.9-70.7172000110.7
434G29.9Very low31.6Very low63 Ų63135.3 Ų135.365%0.64980%0.798SS**  cis144.4146.9-900000114.9
435S32.8Very low31.1Very low135 Ų135132 Ų13294%0.94479%0.792SS**  trans74.4137.4165.7-580000120.8
436G24.3Very low31.1Very low81 Ų81125.4 Ų125.484%0.83579%0.794SS**  trans169.642.817800000117.9
437S32.5Very low31Very low107 Ų107118.9 Ų118.975%0.74880%0.795SS**  trans-42.3158.3-169.8-46.90000122.3
438S32.5Very low31.1Very low114 Ų114120.6 Ų120.680%0.79780%0.804SS**  trans67.2158152.829.10000117.9
439S32.4Very low30.9Very low112 Ų112117.7 Ų117.778%0.78381%0.805SS**  cis-176.2159.5-5.943.30000108.2
440A30.1Very low30.8Very low82 Ų82118.7 Ų118.768%0.67880%0.801SS**  cis-171.3-170.7-15.500000109
441D26.3Very low30.6Very low161 Ų161125.3 Ų125.386%0.86181%0.81SS**  trans66.3167.5165.4-65.4-51.3000120.4
442S32.1Very low30.4Very low111 Ų111128.8 Ų128.878%0.77682%0.817SS**  trans-144.5166.8-170.7-59.30000110.1
443F27.5Very low30Very low197 Ų197127.7 Ų127.786%0.86481%0.813SS**  trans-178.9143.3137.3-114.9-94.9000111.9
444Y29.5Very low29.6Very low210 Ų210125.7 Ų125.782%0.82480%0.804SS**  trans25.2111.2162.2-87.5-111000122.4
445G25.7Very low29.4Very low74 Ų74131.4 Ų131.476%0.76381%0.811SS**  7090.387.700000121.4
446G29Very low29.1Very low90 Ų90129.4 Ų129.493%0.92880%0.797SS**  trans78118.513100000120.7
447G27.3Very low29.8Very low84 Ų84131.3 Ų131.387%0.86680%0.795SS**  trans-172.9143.7166.700000112.1
448N33.1Very low29.6Very low172 Ų172130.7 Ų130.792%0.9279%0.787SS**  trans-134.1123.9-174-175.179.7000111.2
449G28.9Very low29.5Very low69 Ų69134.4 Ų134.471%0.71179%0.789SS**  trans168123.9173.200000116.5
450N35.2Very low29.8Very low140 Ų140135.1 Ų135.175%0.74979%0.791SS**  trans-72.5152.2171.9-4320.7000111.9
451R30.5Very low29.6Very low245 Ų245139.6 Ų139.693%0.92580%0.795SS**  -166.7177.5129.3-111.4147.1-100.5-101.85.1113.4
452M28.9Very low29.5Very low181 Ų181138.3 Ų138.389%0.89279%0.789SS**  trans-105.3171.9-157.9-59.9159.6165.700113.9
453A28.4Very low29.3Very low81 Ų81136.7 Ų136.767%0.66978%0.782SS**  trans70.8155.3154.800000118.5
454D25Very low29.2Very low130 Ų130134.7 Ų134.770%0.69578%0.78SS**  cis-166.7174.6-28-94.7-35.4000108.7
455F25.7Very low29.1Very low183 Ų183129 Ų12980%0.80378%0.776SS**  trans73.5105.4160.3-55-64.5000122
456S27.2Very low29.3Very low94 Ų94132.7 Ų132.766%0.65778%0.779SS**  22.9150.3118.6-42.90000122.3
457P37.9Very low29.3Very low121 Ų121134.9 Ų134.979%0.78677%0.769SS**  -124.5130.180.83.418.6000113.8
458T27.5Very low29.3Very low94 Ų94137.2 Ų137.258%0.57776%0.762SS**  72.3104.569.664.60000116.2
459F30.9Very low29.3Very low192 Ų192135.5 Ų135.584%0.84275%0.752SS**  85.2137.595.4-66.3-44.5000115.5
460P38.9Very low29.4Very low127 Ų127138.7 Ų138.783%0.82575%0.753SS**  -142.7-179.181.128-6000115.2
461F25.1Very low29.3Very low175 Ų175137.9 Ų137.977%0.76875%0.749SS**  cis-178.1126.1-33.6177.6-111.3000111.3
462N25.6Very low29.2Very low135 Ų135133.6 Ų133.672%0.72274%0.744SS**  trans63.4161158.7-129.111.7000118.1
463A27.8Very low29.4Very low76 Ų76129.5 Ų129.563%0.62873%0.733SS**  cis-150.8147.10.300000113.7
464N26Very low29.5Very low156 Ų156131.4 Ų131.483%0.83474%0.742SS**  trans21.5109.5143.9-178.141.9000121.3
465A27.3Very low29.8Very low89 Ų89130.8 Ų130.874%0.73675%0.747SS**  -177127.3123.800000114.7
466N28.8Very low30Very low153 Ų153127.4 Ų127.482%0.81875%0.747SS**  trans45.5130.1142.7-157.319.4000123.3
467N29.2Very low30Very low136 Ų136128.3 Ų128.373%0.72775%0.753SS**  trans89.3139.5149-151.514.6000121.4
468N27.9Very low29.6Very low133 Ų133128.4 Ų128.471%0.71176%0.757SS**  trans6098.9154-116.9-3.1000123.8
469N31.6Very low29.7Very low135 Ų135130.4 Ų130.472%0.72277%0.769SS**  64.1146.9124.1-154.721.9000123.2
470N31.9Very low29.7Very low136 Ų136126.8 Ų126.873%0.72777%0.768SS**  trans64.3156.5175.1-93.9-4.7000116.4
471N32.2Very low29.2Very low123 Ų123129.8 Ų129.866%0.65877%0.768SS**  cis-143.3164.36.3-160.45.8000111.2
472N30.1Very low29.3Very low156 Ų156133.3 Ų133.383%0.83478%0.776SS**  trans-144.2130.8155.7-173.714.2000109.5
473S32Very low29.7Very low94 Ų94136 Ų13666%0.65778%0.782SS**  trans-151.7119.9-170.557.50000112.7
474S31.7Very low29.6Very low122 Ų122135.9 Ų135.985%0.85379%0.788SS**  trans-120129155.846.50000109.3
475S30.3Very low29.8Very low116 Ų116136.2 Ų136.281%0.81179%0.79SS**  trans-86.3168.7-178500000110.9
476S30.3Very low29.8Very low112 Ų112135.4 Ų135.478%0.78379%0.79SS**  cis-160.4163.3-3.422.70000106.3
477S26.4Very low29.9Very low114 Ų114135.5 Ų135.580%0.79779%0.789SS**  cis-155.6132.740.439.80000113
478S30.7Very low30Very low123 Ų123136.7 Ų136.786%0.8680%0.795SS**  trans-146.4125.2172.7-63.40000109.2
479T30Very low29.9Very low135 Ų135136.3 Ų136.383%0.82880%0.802SS**  trans-97.5101.6-178.350.20000111.7
480S29.6Very low29.9Very low117 Ų117136.8 Ų136.882%0.81881%0.81SS**  trans-143.3119167.2-68.80000109.8
481F27.8Very low29.6Very low189 Ų189133.1 Ų133.183%0.82981%0.805SS**  trans-112.2143.9170.8-70.3-85000109.6
482W27.7Very low29.6Very low250 Ų250132.8 Ų132.895%0.94781%0.812SS**  trans-139.1140.4172.7-164.5-62.5000107.8
483F34.1Very low29.6Very low192 Ų192134.1 Ų134.184%0.84281%0.813SS**  trans-125.1156.5-178.9-90.4-84.1000113.2
484G25.8Very low29.7Very low73 Ų73136.9 Ų136.975%0.75382%0.82SS**  trans162.7136.4177.400000106.5
485D29.4Very low29.7Very low163 Ų163137.3 Ų137.387%0.87281%0.813SS**  cis-145.2168.46.4-156.2-35.3000108.5
486G28.6Very low29.5Very low71 Ų71141.1 Ų141.173%0.73282%0.815SS**  trans164.6116.2177.600000114.9
487L30.5Very low29.8Very low156 Ų156140.8 Ų140.882%0.81781%0.812SS**  trans-94138.3-172.9-73.3163000114.5
488L31.6Very low30.1Very low161 Ų161144 Ų14484%0.84382%0.82SS**  trans25.9135.3146-56.5177.8000121.8
489S25.5Very low29.9Very low124 Ų124142 Ų14287%0.86782%0.819SS**  trans-146169.9142.7-165.10000110.4
490V31.1Very low29.8Very low145 Ų145139.3 Ų139.388%0.87982%0.818SS**  trans-128.5145.9-160.8173.80000113.2
491G26.6Very low29.8Very low60 Ų60137.9 Ų137.962%0.61982%0.822SS**  trans160132169.600000110.1
492S32.6Very low29.8Very low116 Ų116132.1 Ų132.181%0.81182%0.815SS**  62.8134.863-81.40000113.5
493E30.2Very low29.9Very low184 Ų184126.3 Ų126.386%0.8681%0.813SS**  cis-157.9-157.90.758.4-151.295.800112.5
494D32.2Very low29.8Very low151 Ų151122 Ų12281%0.80781%0.806SS**  trans-84.8161-157.3-84.4-75.1000119
495L32.9Very low30Very low132 Ų132124.1 Ų124.169%0.69181%0.81SS**  trans12.6123.5147.8-120.471.3000119.8
496F26.8Very low30Very low195 Ų195119.6 Ų119.686%0.85580%0.802SS**  -176.716199.1-108.8-75.6000113.6
497S35.6Very low30Very low105 Ų105126.1 Ų126.173%0.73481%0.811SS**  trans-79.9151.2178.1-47.70000113.5
498L32.2Very low30Very low181 Ų181126.6 Ų126.695%0.94881%0.809SS**  -167.6122.6127.2-106.9167.8000111.6
499G26.1Very low30.8Very low82 Ų82123.1 Ų123.185%0.84580%0.796SS**  trans-149.6117.5170.400000109.6
500G28.8Very low31.2Very low79 Ų79124.5 Ų124.581%0.81479%0.793SS**  trans-165.2106.2-174.100000113.2
501G29.5Very low31.2Very low87 Ų87123.5 Ų123.590%0.89779%0.787SS**  trans79.4138.1175.800000114.7
502G28.1Very low31.4Very low67 Ų67127.6 Ų127.669%0.69179%0.793SS**  cis156.6156.5-10.400000112.7
503S30.2Very low31.3Very low129 Ų129127.3 Ų127.390%0.90279%0.791SS**  trans60.8144159.8-63.20000118.6
504S30.6Very low31.3Very low100 Ų100124.2 Ų124.270%0.69979%0.785SS**  cis-160.3150.83.549.30000112.3
505S31.6Very low31.3Very low119 Ų119121.2 Ų121.283%0.83278%0.781SS**  trans33.4125.8146.162.80000121.7
506G28.1Very low31.1Very low68 Ų68123 Ų12370%0.70179%0.786SS**  trans179.397.1160.400000118.1
507F28.6Very low31.2Very low207 Ų207119.7 Ų119.791%0.90878%0.782SS**  trans48149147.697.8-67.1000125.1
508E32.1Very low30.9Very low166 Ų166119.1 Ų119.178%0.77678%0.778SS**  trans-116.4174.4161.8-128.5-164.911600106.8
509P48.4Very low30.8Very low88 Ų88119.8 Ų119.857%0.57178%0.776SS**  cis-142.9179.3-8.941.9-22.8000116.8
510L33.9Very low30.7Very low154 Ų154121.7 Ų121.781%0.80678%0.776SS**  trans66.9166.4145.6-77.5167.5000124.8
511T29.6Very low30.6Very low124 Ų124122.7 Ų122.776%0.76178%0.777SS**  trans92.6150160.975.10000120
512I32.1Very low30.5Very low146 Ų146123 Ų12375%0.74977%0.771SS**  cis-165.4146.2-27.8-108.1161.8000110.9
513S30.7Very low32.1Very low109 Ų109125.5 Ų125.576%0.76278%0.775SS**  trans56.2173.2162.1-66.10000118.9
514T30.1Very low33.4Very low119 Ų119123.6 Ų123.673%0.7376%0.76SS**  cis-149.2166.118.4-450000111.4
515A30.8Very low33.6Very low89 Ų89127.5 Ų127.574%0.73677%0.766SS**  trans-133.3144.6-179.100000114
516H29.4Very low33.6Very low169 Ų169128 Ų12878%0.78276%0.758SS**  trans-145.7142.4177.1-66-69.3000115.7
517T28.1Very low33.5Very low126 Ų126136.1 Ų136.177%0.77377%0.768SS**  trans-35.1171.3158.344.50000119.5
518S29.9Very low33.7Very low93 Ų93131.4 Ų131.465%0.6576%0.761SS**  cis170.7164.8-27.8630000111.1
519Q29.5Very low34.5Very low194 Ų194128.8 Ų128.891%0.90776%0.758SS**  trans81.4-179.3162.6-60-171.510.200119.6
520S25.6Very low33.7Very low122 Ų122133.9 Ų133.985%0.85377%0.772SS**  trans-153.2155.6-141.8172.10000114.8
521A25.8Very low33.6Very low100 Ų100133.3 Ų133.383%0.82677%0.774SS**  trans-157.1169.1167.500000112.8
522A28.3Very low33.6Very low94 Ų94133.6 Ų133.678%0.77777%0.771SS**  trans-145.2-156-170.600000112.2
523P61.7Low33.6Very low119 Ų119134.4 Ų134.477%0.77377%0.772SS**  cis-132.6-23.9-23.1192000125.8
524P56.8Low34.5Very low89 Ų89133.8 Ų133.858%0.57877%0.765SS**  -130.7157.7-12143.5-29.1000121.2
525H33.8Very low34.3Very low182 Ų182133.2 Ų133.284%0.84377%0.766SS**  trans74.5147.7157.9-55.9-42.1000120.1
526I31.6Very low34.2Very low130 Ų130135.9 Ų135.967%0.66777%0.767SS**  cis-154.5158.831.1-148.9164.4000116.2
527W27.2Very low34.3Very low238 Ų238136 Ų13690%0.90277%0.768SS**  trans70.5157.3159.1-71.3-27.9000125.8
528S32.6Very low34.3Very low108 Ų108133.5 Ų133.576%0.75576%0.76SS**  trans-152.1174-173.561.60000110.1
529P49.4Very low34.2Very low111 Ų111137.9 Ų137.972%0.72177%0.767SS**  -160.9157.496.538.5-17.7000119.8
530F31.9Very low34.2Very low196 Ų196134.6 Ų134.686%0.8676%0.756SS**  trans52.7147.8149.7-79.6-102.8000121.3
531V31.1Very low34.2Very low142 Ų142132.8 Ų132.886%0.86174%0.744SS**  cis-143.2174.147.4167.50000112.3
532D30Very low34.3Very low130 Ų130135.2 Ų135.270%0.69574%0.742SS**  trans-130.9-173.8-165.6-157.3-27.4000112.8
533Q32.2Very low34.3Very low163 Ų163137.9 Ų137.976%0.76274%0.738SS**  trans95.9150.9166-65.9-75.5-70.400120
534P47.8Very low32.5Very low96 Ų96137.1 Ų137.162%0.62374%0.736SS**  trans-142-151.5-140.545.4-24.7000116.2
535S25.8Very low31.1Very low106 Ų106140.7 Ų140.774%0.74175%0.745SS**  trans81.3150.2160.377.60000117.8
536L28.9Very low30.6Very low146 Ų146137.8 Ų137.876%0.76474%0.74SS**  cis-162.9171.2-4.4-123.3175.3000111.4
537Q32.6Very low30.4Very low172 Ų172136.6 Ų136.680%0.80474%0.743SS**  trans72147.8156.1-73.6173.64.500119.6
538A27.5Very low30.6Very low72 Ų72133.9 Ų133.960%0.59574%0.741SS**  cis-166.1157.4-9.800000114
539F27.6Very low30.9Very low185 Ų185134.6 Ų134.681%0.81174%0.743SS**  trans51.4148.3156.6-60.7-56.3000120.4
540D29.1Very low29.8Very low126 Ų126132.9 Ų132.967%0.67475%0.745SS**  cis-142.4134.1-8-106.4-40.9000106.9
541S27.1Very low29.8Very low84 Ų84130.2 Ų130.259%0.58775%0.745SS**  82.2111.267.2-58.20000115.4
542L27.1Very low30.2Very low150 Ų150128.7 Ų128.779%0.78574%0.738SS**  trans65.4152.4152-48.4168.8000117.3
543Q28.4Very low30.1Very low150 Ų150133 Ų13370%0.70175%0.745SS**  cis-149.1135.2-23.8-113.1172.5-7.100105.3
544S24.6Very low29.8Very low104 Ų104132.3 Ų132.373%0.72775%0.745SS**  49.5125.292.4-44.30000115.3
545Q26.2Very low28.7Very low164 Ų164132.7 Ų132.777%0.76675%0.75SS**  154.3117.3125.4-74.5-105.244.900112.9
546T24.5Very low29.4Very low121 Ų121133.4 Ų133.474%0.74275%0.753SS**  trans55-179.714979.70000117.8
547S27.1Very low29.3Very low105 Ų105132 Ų13273%0.73475%0.75SS**  cis-154.9158.6-18.515.70000109.1
548Q30.3Very low29.2Very low181 Ų181133.8 Ų133.885%0.84676%0.755SS**  trans-87.1-171.9159.4-50-173.2-3.800109.7
549P40.7Very low29.2Very low123 Ų123135.8 Ų135.880%0.79977%0.765SS**  cis-132.7-168.8-12.141.3-24.2000113.1
550G26Very low29.3Very low75 Ų75129.8 Ų129.877%0.77376%0.756SS**  trans132.9144.4149.400000118.3
551T31.3Very low29.3Very low139 Ų139130 Ų13085%0.85376%0.762SS**  trans-113-174.2168.862.90000108.4
552P38.9Very low29.2Very low110 Ų110134.4 Ų134.471%0.71477%0.773SS**  cis-137.7176.7-2.542.1-24.7000116.8
553R27.9Very low29.2Very low222 Ų222131.3 Ų131.384%0.83877%0.769SS**  trans56.8134.4152.9-100.8-173.2178.9-98.4-0.2120.8
554L27.2Very low29.4Very low147 Ų147131.3 Ų131.377%0.7777%0.773SS**  -178173.9103.7-98.1-179.2000113.2
555S24.9Very low29.5Very low105 Ų105134.5 Ų134.573%0.73478%0.776SS**  trans77.1159.8161.2-580000118.7
556P39Very low29.6Very low121 Ų121135 Ų13579%0.78678%0.779SS**  cis-117.4176.30.440.8-28.6000115.7
557T27.7Very low30.5Very low116 Ų116134.4 Ų134.471%0.71278%0.776SS**  trans-108.7147.8-177.5-50.70000111.7
558F30.6Very low30.6Very low209 Ų209138.1 Ų138.192%0.91778%0.782SS**  trans-139.3157.3153.7-88-78.7000110.2
559S27.6Very low30.4Very low114 Ų114134 Ų13480%0.79778%0.779SS**  trans-129.4151.1-166.6-560000112.8
560G28.3Very low29.8Very low60 Ų60135.5 Ų135.562%0.61978%0.776SS**  trans108.4100.5173.900000112.5
561T29.2Very low29.9Very low130 Ų130141.8 Ų141.880%0.79878%0.776SS**  63.9118.285.260.30000113
562E26.6Very low29.6Very low177 Ų177140.3 Ų140.383%0.82777%0.767SS**  cis-156.2170.510.2-115.5168.3119.500112.9
563A27.1Very low29Very low85 Ų85142.8 Ų142.870%0.70277%0.768SS**  trans12.4147.6151.900000121.6
564L30.8Very low29Very low149 Ų149143.1 Ų143.178%0.7877%0.769SS**  cis-163.7173.74.3-121.2168.2000111
565E27.1Very low28.9Very low171 Ų171147.9 Ų147.980%0.79978%0.777SS**  trans61.9119.2160.3-95.7163.99000122.8
566H29.5Very low29.7Very low176 Ų176147.7 Ų147.782%0.81577%0.773SS**  trans-75.9166.9145.6-80.564000108.9
567P43.2Very low29.4Very low107 Ų107151.9 Ų151.970%0.69578%0.78SS**  cis-153.1175.635.644.2-22.8000119.9
568Q29.1Very low29.3Very low183 Ų183150.2 Ų150.286%0.85579%0.785SS**  trans40.3122.5141.9-70.2-177.2-15.100123.5
569A26.4Very low29.2Very low94 Ų94146.1 Ų146.178%0.77778%0.783SS**  90.5159.6127.500000122.4
570Q28.6Very low29.3Very low156 Ų156145.7 Ų145.773%0.72979%0.786SS**  trans66.8106.9173.7-62-160.711.400118.4
571R27.6Very low29.2Very low206 Ų206145.9 Ų145.978%0.77779%0.788SS**  91.6147.281.2-163.3-152.4-80.9176.4-5.8112
572V25.1Very low29.2Very low109 Ų109146 Ų14666%0.66179%0.789SS**  trans93.7104.6159.7-167.20000118.8
573H25.1Very low29.3Very low162 Ų162144.2 Ų144.275%0.7578%0.784SS**  trans68.6121.2143.8-77.244.1000123.9
574R27.8Very low29.2Very low228 Ų228147.1 Ų147.186%0.8679%0.788SS**  31.5123.5123-63.9-177.9171.3-162.9-1.8119.7
575R26.3Very low29.1Very low248 Ų248142.9 Ų142.994%0.93677%0.774SS**  -147.7157121-117.4-175.2175.2133.61111.8
576P41.8Very low29.2Very low100 Ų100143.4 Ų143.465%0.64978%0.776SS**  trans-119.5-179.7-17434.1-16.1000115
577F30.9Very low29.1Very low210 Ų210145.9 Ų145.992%0.92178%0.779SS**  trans74.7144.6172.9-62.7-79.8000118.3
578G27.2Very low28.4Very low80 Ų80147.8 Ų147.883%0.82578%0.781SS**  trans152.773.8173.700000114.5
579S28.6Very low29.3Very low124 Ų124144.4 Ų144.487%0.86778%0.775SS**  trans-93.9144.1175.7-52.50000112.3
580A28.9Very low29.3Very low105 Ų105144.9 Ų144.987%0.86877%0.773SS**  trans152.2150.1134.800000114
581G27.5Very low29.4Very low64 Ų64147.6 Ų147.666%0.6678%0.778SS**  trans86.2119.1170.800000114.2
582T27.7Very low29.3Very low132 Ų132142.2 Ų142.281%0.8177%0.772SS**  cis63130.536.681.50000114.2
583L30.1Very low29.4Very low139 Ų139142.4 Ų142.473%0.72878%0.778SS**  cis-165.3153.4-2.2-115.8168.4000108.3
584D25Very low29.7Very low146 Ų146137.7 Ų137.778%0.78177%0.767SS**  trans47.6157.8150.4-75.7-11.6000123
585A27.9Very low29.6Very low60 Ų60135.9 Ų135.950%0.49677%0.765SS.*  cis-168.7160.4-23.500000111.1
586H28.8Very low29.9Very low183 Ų183128.9 Ų128.985%0.84776%0.755SS**  trans66.3158.5163.1-52.9-45.3000116.2
587R28.1Very low29.2Very low228 Ų228129.8 Ų129.886%0.8676%0.763SS**  cis-152.3131.127.9179.3174.9-95.6178.7-6.4113.2
588I28.1Very low29.1Very low147 Ų147124.8 Ų124.875%0.75476%0.755SS**  trans-12.9169.8147.840172.1000119.4
589P47.3Very low29.5Very low111 Ų111125.6 Ų125.672%0.72175%0.747SS**  cis-143.4162.32139.2-19.2000120.5
590S27.3Very low29.8Very low104 Ų104127.5 Ų127.573%0.72774%0.743SS**  trans-178.1156.4139.4-80.20000111.1
591Y29.7Very low30.1Very low214 Ų214126.3 Ų126.384%0.83973%0.728SS**  cis-156.6-173.5-38.756.3-136.6000110.9
592S25.5Very low30.5Very low92 Ų92129.2 Ų129.264%0.64373%0.733SS**  trans-57147.5-177.4-48.80000116.2
593S27.7Very low30.6Very low114 Ų114129.2 Ų129.280%0.79773%0.733SS**  cis76.6146.93591.70000114.3
594A31.3Very low30.7Very low62 Ų62127.6 Ų127.651%0.51273%0.733SS.*  cis-150.4-171.65.500000109.4
595F26.7Very low30.9Very low190 Ų190125.4 Ų125.483%0.83373%0.729SS**  cis-143.4165.39.4-55.7-99.5000109.3
596S31.6Very low30.9Very low102 Ų102128 Ų12871%0.71374%0.744SS**  cis93.261.45.4-440000119.1
597S27.8Very low32.2Very low118 Ų118124.6 Ų124.683%0.82574%0.738SS**  trans-138.7134.4150.8-74.50000111.1
598S29.1Very low33Very low106 Ų106119.6 Ų119.674%0.74174%0.735SS**  cis101.5140.521.7-66.40000113.2
599S35.4Very low33.3Very low96 Ų96119.1 Ų119.167%0.67173%0.734SS**  cis-178.5-168.1-8450000111.3
600E35.3Very low32.3Very low165 Ų165120 Ų12077%0.77174%0.743SS**  trans93.8145.3146.3-63-105.780.800119.1
601S34.9Very low32.7Very low80 Ų80118.8 Ų118.856%0.55973%0.734SS**  cis-165163.3-19.7-139.50000109.3
602T35Very low32.4Very low125 Ų125118.2 Ų118.277%0.76774%0.737SS**  cis-120.6-110.8-7.1-43.40000109.2
603T30.1Very low33.4Very low131 Ų131119.2 Ų119.280%0.80474%0.744SS**  cis-133.7-158.8-3.957.40000109.2
604S33.1Very low33.3Very low105 Ų105123.7 Ų123.773%0.73475%0.745SS**  trans-143.8161.3-175.669.70000112.2
605S27.8Very low33.7Very low100 Ų100130.9 Ų130.970%0.69976%0.759SS**  cis-160.414446.9-48.50000116.7
606S29.1Very low34.4Very low114 Ų114127.6 Ų127.680%0.79776%0.756SS**  trans52.3111144.2-50.10000123.4
607P55.7Low34.6Very low112 Ų112127.1 Ų127.173%0.72776%0.759SS**  trans-97.2-174.8147.941.3-33.1000111.1
608P44.2Very low34.8Very low124 Ų124130.1 Ų130.181%0.80576%0.764SS**  -144.7166.186.839.6-23.7000116.1
609D35.4Very low34.9Very low136 Ų136128.2 Ų128.273%0.72776%0.762SS**  trans-76.3164-178.6-56.2-105.5000115.9
610S25.7Very low34.9Very low129 Ų129129.9 Ų129.990%0.90277%0.773SS**  trans-130.5119.4131.665.50000109.2
611S34.8Very low35.3Very low79 Ų79128.4 Ų128.455%0.55278%0.781SS**  trans-130.8154.2-172.261.10000111.5
612F24.2Very low35.5Very low202 Ų202127.8 Ų127.889%0.88679%0.787SS**  trans-143.391157.6-86-65000110.7
613S46.1Very low36.2Very low114 Ų114131.3 Ų131.380%0.79779%0.786SS**  trans-92.7130.9160.8-70.30000108.9
614Y26.4Very low37.1Very low207 Ų207130.6 Ų130.681%0.81278%0.782SS**  trans-131.8119.6162.8-106.3-85.3000111.3
615R39.3Very low38.4Very low213 Ų213131.7 Ų131.780%0.80478%0.775SS**  trans-139.3124.7162.7-96.1-167.9172.6-154.2-1108.3
616P40.5Very low41Very low121 Ų121132.1 Ų132.179%0.78677%0.766SS**  trans-86.2154.2141.3-1028.7000109
617A36.8Very low44Very low93 Ų93131.5 Ų131.577%0.76975%0.753SS**  trans-120.1147.6176.300000110.4
618L32.9Very low45.8Very low180 Ų180126.2 Ų126.294%0.94272%0.719SS**  trans-168.1134137.3-155.862.4000112.8
619G30.2Very low48.1Very low66 Ų66124.2 Ų124.268%0.6870%0.7SS**  trans90.5136.9145.300000120.2
620S34.5Very low50.6Low131 Ų131122.7 Ų122.792%0.91669%0.689SS**  trans68.2144.2156.8-66.80000121.2
621S45.6Very low53.8Low135 Ų135118.3 Ų118.394%0.94466%0.658SS**  trans-72.5121.6178.8-54.90000112.4
622G37.6Very low56.3Low66 Ų66121.7 Ų121.768%0.6867%0.667SS**  trans-167.1161.2172.100000110.2V624G622-V624 PolarHBondContact O-N 3.22Å
623R49.4Very low59.3Low199 Ų199120.1 Ų120.175%0.75166%0.662SS**  trans-63.8128.8170.5-67.6-173.9-176.6-171.5-0.6108.2Q625 M680R623-Q625 VanDerWaalsContact C-N 3.34Å; R623-Q625 PolarHBondContact O-N 3.33Å; R623-M680 PolarHBondContact NH1-OXT 3.43Å
624V49.3Very low61.4Low117 Ų117118 Ų11871%0.70964%0.642SS**  trans-66.399.7167.7179.60000106.8G622 E626G622-V624 PolarHBondContact O-N 3.22Å; V624-E626 PolarHBondContact O-N 3.23Å
625Q61.5Low64.5Low128 Ų128111.9 Ų111.960%0.59862%0.62SS**PPolyproline II helixtrans-75.3116.9172.7-73.7172-18.100107.2R623 I627 Q635R623-Q625 VanDerWaalsContact C-N 3.34Å; R623-Q625 PolarHBondContact O-N 3.33Å; Q625-I627 PolarHBondContact O-N 3.13Å; Q625-Q635 HydrophobicContact CB-CG 4.31Å
626E82.6Confident67.1Low109 Ų109101.9 Ų101.951%0.50958%0.583SS.*PPolyproline II helixtrans-63.5136.7178.7-63.4-179.2153.700109.1V624 V636V624-E626 PolarHBondContact O-N 3.23Å; E626-V636 HydrophobicContact CB-CB 4.07Å; E626-V636 HydrophobicContact CB-CG2 3.84Å; E626-V636 WeakPolarHBondContact O-CG2 3.23Å; E626-V636 PolarHBondContact O-N 2.9Å
627I91.4Very high69.6Low101 Ų10198.3 Ų98.352%0.51856%0.557SS.*BIsolated β-bridgetrans-102.6139.2-176.9-54.1178.7000108Q625 I629 M632Q625-I627 PolarHBondContact O-N 3.13Å; I627-I629 PolarHBondContact O-N 3.4Å; I627-M632 WeakPolarHBondContact CG2-O 3.49Å
628C93.1Very high72.3Confident1 Ų193.9 Ų93.91%0.00752%0.521CS..PPolyproline II helixtrans-57.3126.1-176.6173.70000111.8Q630 M632 N634 L647 C649C628-Q630 PolarHBondContact O-N 2.92Å; C628-Q630 VanDerWaalsContact O-N 3.12Å; C628-Q630 PolarHBondContact SG-N 2.94Å; C628-Q630 VanDerWaalsContact SG-N 3.4Å; C628-M632 WeakPolarHBondContact O-CA 3.32Å; C628-M632 PolarHBondContact O-N 2.94Å; C628-N634 VanDerWaalsContact CB-O 3.27Å; C628-N634 WeakPolarHBondContact CB-O 3.1Å; C628-N634 PolarHBondContact N-O 3.49Å; C628-L647 WeakPolarHBondContact CA-O 3.17Å; C628-C649 HydrophobicContact CB-CB 3.97Å; C628-C649 PolarHBondContact SG-N 3.03Å
629I92.1Very high75.2Confident81 Ų8186 Ų8642%0.41548%0.481SS..THydrogen-bonded Turntrans-66.5-15.5-178.166.3174.3000113.8I627 L647 F648 V666I627-I629 PolarHBondContact O-N 3.4Å; I629-L647 HydrophobicContact CD1-CB 4.02Å; I629-L647 HydrophobicContact CD1-CD1 4.2Å; I629-L647 HydrophobicContact CG1-CB 4.2Å; I629-L647 HydrophobicContact CG2-CB 4.21Å; I629-L647 PolarHBondContact N-O 3Å; I629-L647 VanDerWaalsContact N-O 3.09Å; I629-F648 HydrophobicContact CD1-CE1 3.88Å; I629-F648 HydrophobicContact CD1-CZ 3.87Å; I629-F648 HydrophobicContact CG1-CD1 4.2Å; I629-F648 HydrophobicContact CG1-CE1 3.65Å; I629-F648 HydrophobicContact CG1-CZ 4.15Å; I629-V666 HydrophobicContact CD1-CG2 4.09Å
630Q88.9Confident78.3Confident105 Ų10582.9 Ų82.949%0.49145%0.449SS..THydrogen-bonded Turntrans-94.1-32-174.3-172.558.767.100113.9C628 F648 C652C628-Q630 PolarHBondContact O-N 2.92Å; C628-Q630 VanDerWaalsContact O-N 3.12Å; C628-Q630 PolarHBondContact SG-N 2.94Å; C628-Q630 VanDerWaalsContact SG-N 3.4Å; Q630-F648 HydrophobicContact CB-CD1 4.14Å; Q630-F648 HydrophobicContact CB-CE1 4.31Å; Q630-C652 HydrophobicContact CB-CB 3.93Å; Q630-C652 HydrophobicContact CG-CB 3.98Å
631C91.8Very high81.1Confident36 Ų3678.6 Ų78.624%0.24342%0.417CS..THydrogen-bonded Turntrans-115.2-19.3176.866.10000114.2E633 N634C631-E633 PolarHBondContact O-N 3.37Å; C631-N634 PolarHBondContact SG-N 3.16Å; C631-N634 VanDerWaalsContact SG-N 3.41Å; C631-N634 PolarHBondContact SG-OD1 3.49Å
632M88.1Confident83.1Confident151 Ų15176.8 Ų76.874%0.74440%0.402SS*.SBendtrans56.412.2-174.8-61.6-171.7170.500115.9I627 C628I627-M632 WeakPolarHBondContact CG2-O 3.49Å; C628-M632 WeakPolarHBondContact O-CA 3.32Å; C628-M632 PolarHBondContact O-N 2.94Å
633E87.1Confident85.8Confident169 Ų16975.3 Ų75.379%0.7938%0.381SS*.SBendtrans-115.3-47.2-178.3-70.5174.2-174.900112.4C631C631-E633 PolarHBondContact O-N 3.37Å
634N89.7Confident87.8Confident69 Ų6968.4 Ų68.437%0.36937%0.371SS..SBendtrans-88.6150.4-175.9-56.191.3000112.2C628 C631 C649C628-N634 VanDerWaalsContact CB-O 3.27Å; C628-N634 WeakPolarHBondContact CB-O 3.1Å; C628-N634 PolarHBondContact N-O 3.49Å; C631-N634 PolarHBondContact SG-N 3.16Å; C631-N634 VanDerWaalsContact SG-N 3.41Å; C631-N634 PolarHBondContact SG-OD1 3.49Å; N634-C649 HydrophobicContact CB-CB 3.38Å
635Q91.6Very high89.9Confident78 Ų7865.5 Ų65.536%0.36435%0.35SS..BIsolated β-bridgetrans-62.3146.5171.8-174.2177.2104.700112.5Q625 I637 C649Q625-Q635 HydrophobicContact CB-CG 4.31Å; Q635-I637 HydrophobicContact CB-CG2 4.09Å; Q635-I637 HydrophobicContact CG-CG2 3.87Å; Q635-I637 PolarHBondContact O-N 3.38Å; Q635-C649 WeakPolarHBondContact O-CA 3.2Å; Q635-C649 VanDerWaalsContact O-CB 3.29Å; Q635-C649 WeakPolarHBondContact O-CB 3.33Å
636V93.6Very high91.4Very high4 Ų461.2 Ų61.22%0.02433%0.331CS..  trans-65.7110.9166.6174.10000109.2E626 N646 F648E626-V636 HydrophobicContact CB-CB 4.07Å; E626-V636 HydrophobicContact CB-CG2 3.84Å; E626-V636 WeakPolarHBondContact O-CG2 3.23Å; E626-V636 PolarHBondContact O-N 2.9Å; V636-N646 WeakPolarHBondContact CG1-O 3.44Å; V636-N646 WeakPolarHBondContact CG1-OD1 3.4Å; V636-F648 WeakPolarHBondContact CA-O 3.48Å
637I93.3Very high91.8Very high46 Ų4658.8 Ų58.824%0.23632%0.321CS..  trans-140.112.7-177.762.9167.8000112.3Q635 F648 F650 Q676 L677Q635-I637 HydrophobicContact CB-CG2 4.09Å; Q635-I637 HydrophobicContact CG-CG2 3.87Å; Q635-I637 PolarHBondContact O-N 3.38Å; I637-F648 PolarHBondContact N-O 3.22Å; I637-F650 HydrophobicContact CD1-CB 4Å; I637-F650 HydrophobicContact CG1-CB 4.15Å; I637-Q676 CarbonylContact O-C 3.5Å; I637-Q676 WeakPolarHBondContact O-CA 3.09Å; I637-L677 PolarHBondContact O-N 3.24Å
638A93.2Very high91.9Very high0 Ų054 Ų540%030%0.297CS..EExtended strand (participates in β ladder)trans-149138.9-17600000113.9N646 F648 F650 A653 I675A638-N646 PolarHBondContact O-OD1 2.97Å; A638-N646 VanDerWaalsContact O-OD1 3.12Å; A638-F648 PolarHBondContact N-O 3.39Å; A638-F650 HydrophobicContact CB-CB 4.21Å; A638-F650 HydrophobicContact CB-CD2 4.14Å; A638-A653 HydrophobicContact CB-CB 3.79Å; A638-I675 WeakPolarHBondContact CA-O 3.32Å
639A94.5Very high92Very high14 Ų1454 Ų5412%0.11630%0.297CS..EExtended strand (participates in β ladder)trans-108.3143.2174.200000111.2H645 N646 I675A639-H645 WeakPolarHBondContact CA-O 3.48Å; A639-N646 HydrophobicContact CB-CB 4.14Å; A639-I675 PolarHBondContact N-O 3.07Å; A639-I675 PolarHBondContact O-N 3.26Å
640L94.5Very high92.1Very high1 Ų153.4 Ų53.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-87.3136.4173.5-65.7173.4000111.3C643 G644 H645 F648 A653 I656 C664 A671 A674L640-C643 PolarHBondContact O-N 3.35Å; L640-G644 WeakPolarHBondContact O-CA 3.26Å; L640-G644 PolarHBondContact O-N 2.92Å; L640-H645 PolarHBondContact N-O 2.73Å; L640-H645 VanDerWaalsContact N-O 3.16Å; L640-F648 HydrophobicContact CD1-CD2 3.86Å; L640-F648 HydrophobicContact CD1-CE2 3.62Å; L640-F648 HydrophobicContact CD1-CZ 4.29Å; L640-F648 HydrophobicContact CG-CD2 4.12Å; L640-F648 HydrophobicContact CG-CE2 4.34Å; L640-A653 HydrophobicContact CD2-CB 3.88Å; L640-I656 HydrophobicContact CD1-CD1 4.27Å; L640-I656 HydrophobicContact CD1-CG2 3.99Å; L640-I656 HydrophobicContact CD2-CB 4.45Å; L640-I656 HydrophobicContact CD2-CG2 4.23Å; L640-C664 HydrophobicContact CD1-CB 3.94Å; L640-A671 HydrophobicContact CB-CB 4.26Å; L640-A671 HydrophobicContact CD1-CB 4.34Å; L640-A671 HydrophobicContact CD2-CB 4.26Å; L640-A674 HydrophobicContact CD2-CB 4.48Å
641V93.8Very high92.4Very high40 Ų4052.7 Ų52.724%0.24229%0.291CS..EExtended strand (participates in β ladder)trans-102.4137.6179.4-179.30000109.1A671 T672 Q673 I675V641-A671 CarbonylContact O-C 3.36Å; V641-A671 VanDerWaalsContact O-CA 3.3Å; V641-A671 WeakPolarHBondContact O-CA 3.41Å; V641-T672 PolarHBondContact O-N 3Å; V641-T672 PolarHBondContact O-OG1 2.9Å; V641-Q673 HydrophobicContact CB-CB 4.06Å; V641-Q673 WeakPolarHBondContact CB-O 3.34Å; V641-Q673 HydrophobicContact CG2-CB 4.24Å; V641-Q673 PolarHBondContact N-O 2.93Å; V641-I675 HydrophobicContact CG2-CD1 3.47Å; V641-I675 VanDerWaalsContact CG2-CD1 3.47Å; V641-I675 HydrophobicContact CG2-CG1 3.72Å
642P88.9Confident92.5Very high98 Ų9851.5 Ų51.564%0.63628%0.283SS*.THydrogen-bonded Turncis-88.9-3.54.436-34.5000114.5G644 P670P642-G644 VanDerWaalsContact C-N 3.31Å; P642-G644 PolarHBondContact O-N 2.67Å; P642-P670 VanDerWaalsContact CD-O 3.23Å; P642-P670 WeakPolarHBondContact CD-O 3.34Å
643C93.8Very high92.8Very high35 Ų3544.3 Ų44.324%0.23625%0.247CC..THydrogen-bonded Turntrans-78.4-4.8-166.269.10000116.2L640 H645 C664 S669L640-C643 PolarHBondContact O-N 3.35Å; C643-H645 PolarHBondContact O-N 2.95Å; C643-H645 VanDerWaalsContact O-N 3.13Å; C643-H645 PolarHBondContact O-ND1 3.26Å; C643-C664 VanDerWaalsContact SG-CB 3.59Å; C643-C664 VanDerWaalsContact SG-SG 3.66Å; C643-S669 WeakPolarHBondContact CB-OG 3.19Å
644G91.1Very high93.2Very high53 Ų5338 Ų3855%0.54622%0.221SC..  trans704.417400000116L640 P642 N646L640-G644 WeakPolarHBondContact O-CA 3.26Å; L640-G644 PolarHBondContact O-N 2.92Å; P642-G644 VanDerWaalsContact C-N 3.31Å; P642-G644 PolarHBondContact O-N 2.67Å; G644-N646 PolarHBondContact O-N 2.88Å; G644-N646 VanDerWaalsContact O-N 3.14Å
645H93.6Very high93.3Very high57 Ų5740.7 Ų40.726%0.26423%0.231SC..  trans-71.8110.9-172.6-78.175.7000111.8A639 L640 C643 V666 C667A639-H645 WeakPolarHBondContact CA-O 3.48Å; L640-H645 PolarHBondContact N-O 2.73Å; L640-H645 VanDerWaalsContact N-O 3.16Å; C643-H645 PolarHBondContact O-N 2.95Å; C643-H645 VanDerWaalsContact O-N 3.13Å; C643-H645 PolarHBondContact O-ND1 3.26Å; H645-V666 HydrophobicContact CB-CG2 4.42Å; H645-V666 VanDerWaalsContact CD2-CB 3.45Å; H645-V666 WeakPolarHBondContact CD2-CB 3.33Å; H645-V666 VanDerWaalsContact CD2-CG1 3.46Å; H645-V666 WeakPolarHBondContact CD2-CG1 3.35Å; H645-C667 PolarHBondContact CE1-SG 3.21Å; H645-C667 PolarHBondContact ND1-SG 3.22Å; H645-C667 VanDerWaalsContact ND1-SG 3.41Å
646N92.4Very high93.4Very high38 Ų3838.1 Ų38.120%0.20322%0.219CC..  trans-104.677.1-179.9-177.449.7000110.4V636 A638 A639 G644 L677V636-N646 WeakPolarHBondContact CG1-O 3.44Å; V636-N646 WeakPolarHBondContact CG1-OD1 3.4Å; A638-N646 PolarHBondContact O-OD1 2.97Å; A638-N646 VanDerWaalsContact O-OD1 3.12Å; A639-N646 HydrophobicContact CB-CB 4.14Å; G644-N646 PolarHBondContact O-N 2.88Å; G644-N646 VanDerWaalsContact O-N 3.14Å; N646-L677 HydrophobicContact CB-CD1 4.29Å; N646-L677 VanDerWaalsContact CG-CD1 3.42Å; N646-L677 WeakPolarHBondContact OD1-CD1 3.35Å
647L92.3Very high93.2Very high57 Ų5739.3 Ų39.330%0.29823%0.228SC..  trans-131.817.6174.5-68.7178.1000111.7C628 I629 V666C628-L647 WeakPolarHBondContact CA-O 3.17Å; I629-L647 HydrophobicContact CD1-CB 4.02Å; I629-L647 HydrophobicContact CD1-CD1 4.2Å; I629-L647 HydrophobicContact CG1-CB 4.2Å; I629-L647 HydrophobicContact CG2-CB 4.21Å; I629-L647 PolarHBondContact N-O 3Å; I629-L647 VanDerWaalsContact N-O 3.09Å; L647-V666 HydrophobicContact CD1-CG1 4.45Å; L647-V666 HydrophobicContact CD1-CG2 4.08Å
648F93.5Very high93.1Very high0 Ų044.3 Ų44.30%025%0.25CS..BIsolated β-bridgetrans-127.5147.9-168.7-55.9-76.8000112.3I629 Q630 V636 I637 A638 L640 A653 I656 P665 V666I629-F648 HydrophobicContact CD1-CE1 3.88Å; I629-F648 HydrophobicContact CD1-CZ 3.87Å; I629-F648 HydrophobicContact CG1-CD1 4.2Å; I629-F648 HydrophobicContact CG1-CE1 3.65Å; I629-F648 HydrophobicContact CG1-CZ 4.15Å; Q630-F648 HydrophobicContact CB-CD1 4.14Å; Q630-F648 HydrophobicContact CB-CE1 4.31Å; V636-F648 WeakPolarHBondContact CA-O 3.48Å; I637-F648 PolarHBondContact N-O 3.22Å; A638-F648 PolarHBondContact N-O 3.39Å; L640-F648 HydrophobicContact CD1-CD2 3.86Å; L640-F648 HydrophobicContact CD1-CE2 3.62Å; L640-F648 HydrophobicContact CD1-CZ 4.29Å; L640-F648 HydrophobicContact CG-CD2 4.12Å; L640-F648 HydrophobicContact CG-CE2 4.34Å; F648-A653 HydrophobicContact CB-CB 3.92Å; F648-I656 HydrophobicContact CD1-CD1 3.79Å; F648-I656 HydrophobicContact CE1-CD1 3.7Å; F648-I656 HydrophobicContact CG-CD1 4.35Å; F648-I656 HydrophobicContact CZ-CD1 4.19Å; F648-P665 HydrophobicContact CE1-CG 4.1Å; F648-P665 HydrophobicContact CZ-CB 4.21Å; F648-P665 HydrophobicContact CZ-CG 3.96Å; F648-V666 HydrophobicContact CE2-CG2 4.05Å; F648-V666 HydrophobicContact CZ-CG2 3.88Å
649C94.8Very high92.8Very high1 Ų145.7 Ų45.71%0.00726%0.264CS..  trans-75.3163.2160.769.70000109.6C628 N634 Q635 D651 C652 A653C628-C649 HydrophobicContact CB-CB 3.97Å; C628-C649 PolarHBondContact SG-N 3.03Å; N634-C649 HydrophobicContact CB-CB 3.38Å; Q635-C649 WeakPolarHBondContact O-CA 3.2Å; Q635-C649 VanDerWaalsContact O-CB 3.29Å; Q635-C649 WeakPolarHBondContact O-CB 3.33Å; C649-D651 VanDerWaalsContact C-N 3.28Å; C649-D651 PolarHBondContact O-N 2.89Å; C649-C652 PolarHBondContact O-N 3.47Å; C649-C652 PolarHBondContact SG-N 3.27Å; C649-C652 VanDerWaalsContact SG-N 3.44Å; C649-A653 VanDerWaalsContact O-CB 3.31Å; C649-A653 WeakPolarHBondContact O-CB 3.44Å; C649-A653 PolarHBondContact O-N 2.87Å
650F94.5Very high92Very high69 Ų6952 Ų5230%0.30330%0.304SS..Hα-helixtrans-61.8-36.7-175.7-173.9-110.6000112.9I637 A638 T654 Q676I637-F650 HydrophobicContact CD1-CB 4Å; I637-F650 HydrophobicContact CG1-CB 4.15Å; A638-F650 HydrophobicContact CB-CB 4.21Å; A638-F650 HydrophobicContact CB-CD2 4.14Å; F650-T654 VanDerWaalsContact O-CB 3.3Å; F650-T654 WeakPolarHBondContact O-CB 3.47Å; F650-T654 PolarHBondContact O-N 3.42Å; F650-T654 PolarHBondContact O-OG1 2.92Å; F650-Q676 HydrophobicContact CD2-CB 3.64Å; F650-Q676 HydrophobicContact CD2-CG 4.15Å; F650-Q676 HydrophobicContact CE2-CB 3.88Å; F650-Q676 HydrophobicContact CG-CB 4.31Å; F650-Q676 HydrophobicContact CG-CG 4.36Å
651D94.9Very high91.4Very high90 Ų9058.9 Ų58.948%0.48134%0.336SS..Hα-helixtrans-70.4-46.8-178.6-49.4-70.7000111.9C649 T654 Q655C649-D651 VanDerWaalsContact C-N 3.28Å; C649-D651 PolarHBondContact O-N 2.89Å; D651-T654 PolarHBondContact O-N 2.93Å; D651-Q655 VanDerWaalsContact O-CG 3.32Å; D651-Q655 WeakPolarHBondContact O-CG 3.43Å; D651-Q655 PolarHBondContact O-N 2.92Å
652C94.3Very high91.1Very high11 Ų1158.6 Ų58.67%0.07434%0.338CS..Hα-helixtrans-65.7-39.8174.9-70.10000112.3Q630 C649 T654 Q655 I656Q630-C652 HydrophobicContact CB-CB 3.93Å; Q630-C652 HydrophobicContact CG-CB 3.98Å; C649-C652 PolarHBondContact O-N 3.47Å; C649-C652 PolarHBondContact SG-N 3.27Å; C649-C652 VanDerWaalsContact SG-N 3.44Å; C652-T654 VanDerWaalsContact C-N 3.3Å; C652-T654 PolarHBondContact O-N 3.25Å; C652-Q655 PolarHBondContact O-N 3.47Å; C652-I656 WeakPolarHBondContact O-CD1 3.45Å; C652-I656 VanDerWaalsContact O-CG1 3.28Å; C652-I656 WeakPolarHBondContact O-CG1 3.38Å; C652-I656 PolarHBondContact O-N 3.5Å
653A94.6Very high91.3Very high0 Ų057.5 Ų57.50%033%0.325CS..Hα-helixtrans-61.3-40.5174.400000111.7A638 L640 F648 C649 I656 C657 A674A638-A653 HydrophobicContact CB-CB 3.79Å; L640-A653 HydrophobicContact CD2-CB 3.88Å; F648-A653 HydrophobicContact CB-CB 3.92Å; C649-A653 VanDerWaalsContact O-CB 3.31Å; C649-A653 WeakPolarHBondContact O-CB 3.44Å; C649-A653 PolarHBondContact O-N 2.87Å; A653-I656 PolarHBondContact O-N 3.32Å; A653-C657 PolarHBondContact O-N 3.06Å; A653-C657 VanDerWaalsContact O-N 3.17Å; A653-C657 PolarHBondContact O-SG 3.33Å; A653-A674 HydrophobicContact CB-CB 3.59Å
654T93.8Very high91.2Very high37 Ų3755.8 Ų55.823%0.22731%0.314CS..Hα-helixtrans-67.7-41.1176.7-58.50000111.7F650 D651 C652 I656 C657 Q658F650-T654 VanDerWaalsContact O-CB 3.3Å; F650-T654 WeakPolarHBondContact O-CB 3.47Å; F650-T654 PolarHBondContact O-N 3.42Å; F650-T654 PolarHBondContact O-OG1 2.92Å; D651-T654 PolarHBondContact O-N 2.93Å; C652-T654 VanDerWaalsContact C-N 3.3Å; C652-T654 PolarHBondContact O-N 3.25Å; T654-I656 VanDerWaalsContact C-N 3.35Å; T654-I656 PolarHBondContact O-N 2.93Å; T654-C657 PolarHBondContact O-N 2.87Å; T654-Q658 WeakPolarHBondContact O-CG 3.48Å; T654-Q658 PolarHBondContact O-N 2.95Å; T654-Q658 VanDerWaalsContact O-N 3.15Å
655Q93.4Very high91.2Very high126 Ų12656.2 Ų56.259%0.58931%0.307SS*.Hα-helixtrans-61.6-40.7174.3-73169.515.200112.1D651 C652 C657 Q658 G659D651-Q655 VanDerWaalsContact O-CG 3.32Å; D651-Q655 WeakPolarHBondContact O-CG 3.43Å; D651-Q655 PolarHBondContact O-N 2.92Å; C652-Q655 PolarHBondContact O-N 3.47Å; Q655-C657 VanDerWaalsContact C-N 3.32Å; Q655-C657 PolarHBondContact O-N 3.18Å; Q655-Q658 CarbonylContact O-C 3.59Å; Q655-Q658 PolarHBondContact O-N 2.96Å; Q655-Q658 VanDerWaalsContact O-N 3.12Å; Q655-G659 PolarHBondContact O-N 2.95Å; Q655-G659 VanDerWaalsContact O-N 3.1Å
656I92.1Very high91.1Very high23 Ų2356.6 Ų56.612%0.11831%0.313CS..Hα-helixtrans-59.6-42.9174.6-71.2160.6000110.8L640 F648 C652 A653 T654 Q658 G659 A662 M663 P665 A671L640-I656 HydrophobicContact CD1-CD1 4.27Å; L640-I656 HydrophobicContact CD1-CG2 3.99Å; L640-I656 HydrophobicContact CD2-CB 4.45Å; L640-I656 HydrophobicContact CD2-CG2 4.23Å; F648-I656 HydrophobicContact CD1-CD1 3.79Å; F648-I656 HydrophobicContact CE1-CD1 3.7Å; F648-I656 HydrophobicContact CG-CD1 4.35Å; F648-I656 HydrophobicContact CZ-CD1 4.19Å; C652-I656 WeakPolarHBondContact O-CD1 3.45Å; C652-I656 VanDerWaalsContact O-CG1 3.28Å; C652-I656 WeakPolarHBondContact O-CG1 3.38Å; C652-I656 PolarHBondContact O-N 3.5Å; A653-I656 PolarHBondContact O-N 3.32Å; T654-I656 VanDerWaalsContact C-N 3.35Å; T654-I656 PolarHBondContact O-N 2.93Å; I656-Q658 PolarHBondContact O-N 3.5Å; I656-G659 PolarHBondContact O-N 3.25Å; I656-A662 WeakPolarHBondContact O-CA 3.47Å; I656-M663 VanDerWaalsContact CG2-O 3.25Å; I656-M663 WeakPolarHBondContact CG2-O 3.25Å; I656-P665 HydrophobicContact CD1-CG 3.82Å; I656-P665 HydrophobicContact CG1-CG 4.37Å; I656-A671 HydrophobicContact CG2-CB 4.3Å
657C91Very high91.1Very high30 Ų3057.3 Ų57.320%0.20332%0.32CS..Hα-helixtrans-73.3-10.6178.3-60.10000114A653 T654 Q655 A674A653-C657 PolarHBondContact O-N 3.06Å; A653-C657 VanDerWaalsContact O-N 3.17Å; A653-C657 PolarHBondContact O-SG 3.33Å; T654-C657 PolarHBondContact O-N 2.87Å; Q655-C657 VanDerWaalsContact C-N 3.32Å; Q655-C657 PolarHBondContact O-N 3.18Å; C657-A674 PolarHBondContact SG-N 3.23Å
658Q89.7Confident91.1Very high151 Ų15160.5 Ų60.571%0.70634%0.337SS*.THydrogen-bonded Turntrans-107.3-1.3179-70.5178.13.400113T654 Q655 I656T654-Q658 WeakPolarHBondContact O-CG 3.48Å; T654-Q658 PolarHBondContact O-N 2.95Å; T654-Q658 VanDerWaalsContact O-N 3.15Å; Q655-Q658 CarbonylContact O-C 3.59Å; Q655-Q658 PolarHBondContact O-N 2.96Å; Q655-Q658 VanDerWaalsContact O-N 3.12Å; I656-Q658 PolarHBondContact O-N 3.5Å
659G86.8Confident90.9Very high28 Ų2862.1 Ų62.129%0.28935%0.348SS..SBendtrans-70.5158.7177.700000113Q655 I656 E661Q655-G659 PolarHBondContact O-N 2.95Å; Q655-G659 VanDerWaalsContact O-N 3.1Å; I656-G659 PolarHBondContact O-N 3.25Å; G659-E661 PolarHBondContact O-N 2.8Å
660P78Confident90.8Very high146 Ų14666.4 Ų66.495%0.94838%0.376SS*.SBendtrans-63.6-27.7174.828.1-35.1000112.2
661E81.6Confident90.6Very high147 Ų14763.1 Ų63.169%0.68736%0.362SS*.SBendtrans-116.782.9168.7-65.9-179.1169.200108G659 M663G659-E661 PolarHBondContact O-N 2.8Å; E661-M663 VanDerWaalsContact C-N 3.26Å; E661-M663 HydrophobicContact CB-CE 4.18Å; E661-M663 PolarHBondContact O-N 3.27Å; E661-M663 WeakPolarHBondContact OE2-CE 3.41Å
662A87.7Confident90.4Very high33 Ų3364 Ų6427%0.27337%0.37SS..  trans-72.479.6179.100000110.8I656 P670 A671I656-A662 WeakPolarHBondContact O-CA 3.47Å; A662-P670 CarbonylContact O-C 3.58Å; A662-P670 VanDerWaalsContact O-CA 3.3Å; A662-P670 WeakPolarHBondContact O-CA 3.2Å; A662-A671 PolarHBondContact O-N 2.98Å
663M93.1Very high90.3Very high75 Ų7568.9 Ų68.937%0.36939%0.392SS..BIsolated β-bridgetrans-125.9146.6-179.257.7168.3164.400112.3I656 E661 P665 L668 S669I656-M663 VanDerWaalsContact CG2-O 3.25Å; I656-M663 WeakPolarHBondContact CG2-O 3.25Å; E661-M663 VanDerWaalsContact C-N 3.26Å; E661-M663 HydrophobicContact CB-CE 4.18Å; E661-M663 PolarHBondContact O-N 3.27Å; E661-M663 WeakPolarHBondContact OE2-CE 3.41Å; M663-P665 WeakPolarHBondContact O-CD 3.3Å; M663-L668 HydrophobicContact SD-CD2 4.11Å; M663-S669 WeakPolarHBondContact CA-O 3.14Å
664C93.1Very high90.3Very high0 Ų069.6 Ų69.60%040%0.398CS..  trans-73121.5178.41770000111.5L640 C643 V666 C667 L668 S669L640-C664 HydrophobicContact CD1-CB 3.94Å; C643-C664 VanDerWaalsContact SG-CB 3.59Å; C643-C664 VanDerWaalsContact SG-SG 3.66Å; C664-V666 PolarHBondContact O-N 2.71Å; C664-C667 PolarHBondContact O-N 2.97Å; C664-L668 WeakPolarHBondContact O-CA 3.48Å; C664-L668 PolarHBondContact O-N 2.82Å; C664-S669 PolarHBondContact N-O 3.4Å
665P89.8Confident90.3Very high62 Ų6271.6 Ų71.640%0.40341%0.406SS..THydrogen-bonded Turntrans-59.4-14.5-179.3-2735.2000116.2F648 I656 M663F648-P665 HydrophobicContact CE1-CG 4.1Å; F648-P665 HydrophobicContact CZ-CB 4.21Å; F648-P665 HydrophobicContact CZ-CG 3.96Å; I656-P665 HydrophobicContact CD1-CG 3.82Å; I656-P665 HydrophobicContact CG1-CG 4.37Å; M663-P665 WeakPolarHBondContact O-CD 3.3Å
666V91.4Very high90.2Very high64 Ų6468.8 Ų68.839%0.38839%0.393SS..THydrogen-bonded Turntrans-94.3-29.7-176.2-163.40000112.9I629 H645 L647 F648 C664I629-V666 HydrophobicContact CD1-CG2 4.09Å; H645-V666 HydrophobicContact CB-CG2 4.42Å; H645-V666 VanDerWaalsContact CD2-CB 3.45Å; H645-V666 WeakPolarHBondContact CD2-CB 3.33Å; H645-V666 VanDerWaalsContact CD2-CG1 3.46Å; H645-V666 WeakPolarHBondContact CD2-CG1 3.35Å; L647-V666 HydrophobicContact CD1-CG1 4.45Å; L647-V666 HydrophobicContact CD1-CG2 4.08Å; F648-V666 HydrophobicContact CE2-CG2 4.05Å; F648-V666 HydrophobicContact CZ-CG2 3.88Å; C664-V666 PolarHBondContact O-N 2.71Å
667C92.8Very high90.1Very high53 Ų5370.7 Ų70.736%0.35840%0.404SS..THydrogen-bonded Turntrans-1403.1-171.458.40000114.5H645 C664 S669H645-C667 PolarHBondContact CE1-SG 3.21Å; H645-C667 PolarHBondContact ND1-SG 3.22Å; H645-C667 VanDerWaalsContact ND1-SG 3.41Å; C664-C667 PolarHBondContact O-N 2.97Å; C667-S669 PolarHBondContact O-N 3.26Å; C667-S669 PolarHBondContact SG-OG 2.91Å
668L91.5Very high89.6Confident125 Ų12578.9 Ų78.965%0.65443%0.43SS*.  trans58.33.7176.3-50.9179.6000116.2M663 C664M663-L668 HydrophobicContact SD-CD2 4.11Å; C664-L668 WeakPolarHBondContact O-CA 3.48Å; C664-L668 PolarHBondContact O-N 2.82Å
669S90.7Very high88.3Confident33 Ų3379.5 Ų79.523%0.23144%0.438CS..  trans-66.4145.9172.165.10000111.5C643 M663 C664 C667 A671C643-S669 WeakPolarHBondContact CB-OG 3.19Å; M663-S669 WeakPolarHBondContact CA-O 3.14Å; C664-S669 PolarHBondContact N-O 3.4Å; C667-S669 PolarHBondContact O-N 3.26Å; C667-S669 PolarHBondContact SG-OG 2.91Å; S669-A671 PolarHBondContact O-N 3.34Å
670P91.2Very high86.7Confident91 Ų9184.8 Ų84.859%0.59146%0.457SS*.BIsolated β-bridgetrans-59.6130.9175.525.7-34.5000111.3P642 A662P642-P670 VanDerWaalsContact CD-O 3.23Å; P642-P670 WeakPolarHBondContact CD-O 3.34Å; A662-P670 CarbonylContact O-C 3.58Å; A662-P670 VanDerWaalsContact O-CA 3.3Å; A662-P670 WeakPolarHBondContact O-CA 3.2Å
671A92.1Very high87.1Confident1 Ų181.8 Ų81.81%0.00843%0.433CS..  trans-109.5103.4-176.700000109.9L640 V641 I656 A662 S669L640-A671 HydrophobicContact CB-CB 4.26Å; L640-A671 HydrophobicContact CD1-CB 4.34Å; L640-A671 HydrophobicContact CD2-CB 4.26Å; V641-A671 CarbonylContact O-C 3.36Å; V641-A671 VanDerWaalsContact O-CA 3.3Å; V641-A671 WeakPolarHBondContact O-CA 3.41Å; I656-A671 HydrophobicContact CG2-CB 4.3Å; A662-A671 PolarHBondContact O-N 2.98Å; S669-A671 PolarHBondContact O-N 3.34Å
672T90.8Very high87.4Confident108 Ų10878.3 Ų78.366%0.66342%0.419SS*.  trans-89.4-21.6-171.856.80000114V641V641-T672 PolarHBondContact O-N 3Å; V641-T672 PolarHBondContact O-OG1 2.9Å
673Q91.3Very high87.4Confident113 Ų11380.8 Ų80.853%0.52843%0.428SS..EExtended strand (participates in β ladder)trans-154.2146.2-179-169.3177.128.800111.8V641V641-Q673 HydrophobicContact CB-CB 4.06Å; V641-Q673 WeakPolarHBondContact CB-O 3.34Å; V641-Q673 HydrophobicContact CG2-CB 4.24Å; V641-Q673 PolarHBondContact N-O 2.93Å
674A93.7Very high87Confident15 Ų1581.2 Ų81.212%0.12443%0.431CS..EExtended strand (participates in β ladder)trans-100.4128.7166.500000110.2L640 A653 C657L640-A674 HydrophobicContact CD2-CB 4.48Å; A653-A674 HydrophobicContact CB-CB 3.59Å; C657-A674 PolarHBondContact SG-N 3.23Å
675I94Very high86.7Confident79 Ų7986.3 Ų86.341%0.40546%0.458SS..EExtended strand (participates in β ladder)trans-111.2125.7176-65.8-179.8000109.6A638 A639 V641A638-I675 WeakPolarHBondContact CA-O 3.32Å; A639-I675 PolarHBondContact N-O 3.07Å; A639-I675 PolarHBondContact O-N 3.26Å; V641-I675 HydrophobicContact CG2-CD1 3.47Å; V641-I675 VanDerWaalsContact CG2-CD1 3.47Å; V641-I675 HydrophobicContact CG2-CG1 3.72Å
676Q92.6Very high86.5Confident67 Ų6787.9 Ų87.931%0.31346%0.462SS..EExtended strand (participates in β ladder)trans-76.5123.6174.7-165.9-178.744.300111.3I637 F650 R678I637-Q676 CarbonylContact O-C 3.5Å; I637-Q676 WeakPolarHBondContact O-CA 3.09Å; F650-Q676 HydrophobicContact CD2-CB 3.64Å; F650-Q676 HydrophobicContact CD2-CG 4.15Å; F650-Q676 HydrophobicContact CE2-CB 3.88Å; F650-Q676 HydrophobicContact CG-CB 4.31Å; F650-Q676 HydrophobicContact CG-CG 4.36Å; Q676-R678 HydrophobicContact CG-CG 4.36Å; Q676-R678 PolarHBondContact O-N 2.65Å; Q676-R678 VanDerWaalsContact OE1-CZ 3.27Å
677L90.4Very high86.1Confident64 Ų6489.6 Ų89.634%0.33547%0.467SS..  trans-85.7107.7177.4-58.3-173.7000110.5I637 N646 M680I637-L677 PolarHBondContact O-N 3.24Å; N646-L677 HydrophobicContact CB-CD1 4.29Å; N646-L677 VanDerWaalsContact CG-CD1 3.42Å; N646-L677 WeakPolarHBondContact OD1-CD1 3.35Å; L677-M680 HydrophobicContact CD1-SD 4.13Å
678R80.4Confident85.6Confident201 Ų20192.4 Ų92.476%0.75848%0.475SS*.  trans-102.158.5-178.6-63.6-175.9179.91751.9112.5Q676Q676-R678 HydrophobicContact CG-CG 4.36Å; Q676-R678 PolarHBondContact O-N 2.65Å; Q676-R678 VanDerWaalsContact OE1-CZ 3.27Å
679N61.2Low85.1Confident165 Ų16589.7 Ų89.788%0.88246%0.46SS*.  trans175.398.7160.7-90-27.1000109.8
680M52.8Low84.6Confident139 Ų13994.8 Ų94.869%0.68548%0.481SS*.  trans-1400170.1-70.7-172.867.900110.8R623 L677R623-M680 PolarHBondContact NH1-OXT 3.43Å; L677-M680 HydrophobicContact CD1-SD 4.13Å

Retrieved 680 of 680 residues in 304.6 ms (Link to these results)