A0A060WII9_ONCMY Loading...

Zic family member 5 (odd-paired homolog, Drosophila)

AlphaFold DB , UniProt , Accession A0A060WII9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 501 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
1M35.3Very low37.7Very low249 Ų249155.3 Ų155.3100%1.22782%0.823SS**  0117.70-75.6169.5165.700107.5
2E31.1Very low37.5Very low193 Ų193155.7 Ų155.790%0.90282%0.822SS**  trans-89.2173.8154.5-75.9-165.5110.200108.7
3P47.5Very low37.1Very low97 Ų97162.8 Ų162.863%0.6383%0.831SS**  cis-122.2-167.70.841.4-26.9000113
4P45Very low36.8Very low131 Ų131163.1 Ų163.185%0.85184%0.835SS**  -131.3166.3116.638.2-32000114.3
5L36.9Very low36.6Very low160 Ų160157.5 Ų157.584%0.83882%0.822SS**  trans-106.7149.7-170.3-79.7166.3000114.9
6S33.9Very low36.3Very low95 Ų95156.3 Ų156.366%0.66482%0.817SS**  trans67.5102141.1-172.40000121.4
7K37.1Very low36.2Very low194 Ų194156.4 Ų156.484%0.84382%0.817SS**  41.9120.4124.7-56.6172.4179.4176.20119.5
8R34.4Very low35.8Very low252 Ų252152.3 Ų152.395%0.95181%0.811SS**  trans-154.3128.5134.4-109167-169.1179.33.2111.9
9N33.5Very low35.6Very low153 Ų153148.9 Ų148.982%0.81881%0.806SS**  trans-91.7173.8157.4-124-20000106.9
10P47.9Very low35.4Very low111 Ų111148.7 Ų148.772%0.72181%0.81SS**  cis-148.4175.531.344.8-24.9000118.8
11A32Very low35.5Very low73 Ų73149.4 Ų149.460%0.60381%0.808SS**  trans58.3122.3135.500000124.2
12I35Very low35.9Very low160 Ų160143.6 Ų143.682%0.82179%0.789SS**  55117.8124-53.9166.2000119.2
13R33.2Very low36.1Very low248 Ų248140.6 Ų140.694%0.93678%0.778SS**  -145.9159.9126.1-83.1-143.5165.5171.1-3.2112.2
14L32.7Very low36.3Very low168 Ų168141.5 Ų141.588%0.8878%0.784SS**  trans-136.2177.8178.8-116.7167.6000107.5
15A33.6Very low35.8Very low79 Ų79142.2 Ų142.265%0.65378%0.776SS**  trans73148.5-177.300000114.7
16D31.3Very low35.8Very low138 Ų138143 Ų14374%0.73878%0.775SS**  cis-158.1169.64.6-117.7-18.3000113.4
17L34.5Very low35.8Very low157 Ų157143.5 Ų143.582%0.82277%0.77SS**  trans28.8155.5151.8-81.870000122.1
18A30.2Very low35.7Very low84 Ų84141.4 Ų141.469%0.69477%0.765SS**  cis-172.5164.6-16.100000111.8
19A31.1Very low35.6Very low88 Ų88136.1 Ų136.173%0.72776%0.761SS**  trans40.6123.3149.100000122.2
20T32Very low35.4Very low143 Ų143131.5 Ų131.588%0.87775%0.75SS**  -173.6151.5104.622.40000112.6
21Q36.8Very low34.4Very low164 Ų164136.3 Ų136.377%0.76676%0.76SS**  trans-113.6165.9159.6-74.4-172.2-15.600108.5
22P43.5Very low35.1Very low127 Ų127138.6 Ų138.683%0.82577%0.769SS**  -141.7165.1106.537.4-24.6000115.6
23L36.9Very low34.8Very low131 Ų131134.7 Ų134.769%0.68677%0.767SS**  trans-94.4170.7168.9-68.4169.2000111.2
24P50.8Low34.8Very low116 Ų116131.9 Ų131.975%0.75377%0.77SS**  -127.7148.597.437.1-30.1000112.7
25H34.2Very low34.5Very low145 Ų145127.7 Ų127.767%0.67177%0.767SS**  58.8128.766.7-92.6-81.3000112.2
26Q37.3Very low34.5Very low178 Ų178130 Ų13083%0.83277%0.773SS**  cis-154.1173.633.3-70.3-165.225.900111.6
27N33.9Very low34.4Very low105 Ų105131.8 Ų131.856%0.56178%0.776SS**  cis-177.7175.1-28.6-171.313.9000108.9
28M33.9Very low34.3Very low150 Ų150132 Ų13274%0.73977%0.773SS**  trans74.7119.4168.6-49.2-54.6-171.400116.1
29T33.9Very low34.8Very low141 Ų141134 Ų13487%0.86578%0.779SS**  cis-137.6-164.4266.30000109.2
30G28Very low34.8Very low56 Ų56138.5 Ų138.558%0.57779%0.785SS**  cis-178.8-179.410.100000112.5
31F27.3Very low34.7Very low211 Ų211136.6 Ų136.693%0.92578%0.777SS**  trans-163174.1-168.7-93.8-69.3000111
32P47.5Very low34.5Very low122 Ų122137.5 Ų137.579%0.79278%0.781SS**  cis-130.8175.5-19.235.2-17.7000114.3
33G28.4Very low34Very low77 Ų77138.7 Ų138.779%0.79478%0.775SS**  trans-170.3130.1165.200000112.8
34L33.2Very low33.6Very low190 Ų190137.1 Ų137.1100%0.99578%0.781SS**  trans-99.9148.2-177.5-69.6165.1000111.7
35G26.3Very low32.7Very low79 Ų79138.6 Ų138.681%0.81478%0.778SS**  trans176.5101.8171.900000115.1
36V32.8Very low32.3Very low127 Ų127140.9 Ų140.977%0.7779%0.788SS**  trans-92.9145.6161.7172.40000108
37H29.5Very low32.2Very low176 Ų176140.2 Ų140.282%0.81579%0.785SS**  trans174.1170.6134.7-96.5-69.6000113.3
38H33.2Very low32.6Very low162 Ų162141.4 Ų141.475%0.7580%0.798SS**  trans-84.9164.3-175.4-6132.4000112.8
39P41.1Very low32.3Very low127 Ų127137.8 Ų137.883%0.82580%0.799SS**  trans-97.6136145.434.3-26.9000111.6
40H30.7Very low32.3Very low182 Ų182140.1 Ų140.184%0.84380%0.8SS**  trans-109.2154.9172-135.1-95.4000110
41S29.2Very low32.6Very low103 Ų103146.7 Ų146.772%0.7282%0.818SS**  trans-72.9144.7-179.6-57.10000113.6
42H32.8Very low32.7Very low183 Ų183140 Ų14085%0.84781%0.809SS**  trans-151.7163.8138.4-89.2-83.4000109.9
43H33.3Very low31.8Very low151 Ų151142.2 Ų142.270%0.69981%0.814SS**  177.3116.4-51.1-175.6-20.1000106.8H45H43-H45 AromaticContact CE1-CD2 3.93Å
44A27.9Very low31.8Very low99 Ų99145.9 Ų145.982%0.81882%0.816SS**  trans-162140.8166.400000111.2
45H32.4Very low32.6Very low147 Ų147142.7 Ų142.768%0.68181%0.806SS**  trans-116.2151.5171.6-80.6-101.6000109.5H43H43-H45 AromaticContact CE1-CD2 3.93Å
46H26.9Very low32.7Very low193 Ų193142 Ų14289%0.89480%0.799SS**  trans-149.6136.5144-103.3-78.3000111.1
47H33.5Very low32.5Very low163 Ų163142.8 Ų142.876%0.75580%0.803SS**  trans-100.3161.2161-78.8-79.3000108.5
48P42.2Very low32.4Very low131 Ų131138.4 Ų138.485%0.85180%0.798SS**  -141.3-166.497.738.2-22.8000113.8
49G29.1Very low32.3Very low73 Ų73138.7 Ų138.775%0.75380%0.804SS**  trans-122.4-149.5-175.500000115
50E32.7Very low32Very low190 Ų190138.8 Ų138.889%0.88880%0.802SS**  trans-77.3144.5-163.8-58.2166.4107.100115.7
51M35.6Very low32.8Very low195 Ų195134.4 Ų134.496%0.96179%0.79SS**  143.8143.2119.977.2-172.8170.700115.3
52G28Very low32.8Very low71 Ų71138.9 Ų138.973%0.73280%0.797SS**  trans120.1103.1154.900000119.5
53N28.4Very low32.7Very low167 Ų167133 Ų13389%0.89379%0.787SS**  trans37.2132.1142.3-56.7-6.7000124.3
54D29.3Very low33.6Very low155 Ų155131.8 Ų131.883%0.82979%0.792SS**  trans-57.9172.8149.9-92.6-71.1000114
55P49.3Very low33.6Very low123 Ų123136.2 Ų136.280%0.79980%0.795SS**  cis-135.2176.310.741.7-25.6000116.9
56G28.3Very low33.7Very low63 Ų63137.5 Ų137.565%0.64980%0.801SS**  trans141.7111.1135.200000121.7
57V29.8Very low34Very low144 Ų144136.5 Ų136.587%0.87380%0.799SS**  trans67.3108.9136.2-173.20000121.6
58A27.8Very low33.9Very low85 Ų85132.3 Ų132.370%0.70279%0.793SS**  trans58.2148.9140.400000120.3
59L30.9Very low33.5Very low167 Ų167134.9 Ų134.987%0.87479%0.794SS**  cis-142.1170.238.2-79.7160.6000114.4
60T33.3Very low33.7Very low129 Ų129136.7 Ų136.779%0.79179%0.79SS**  trans-108.1-169.1173.861.20000109.5
61P48.7Very low33.6Very low91 Ų91135.1 Ų135.159%0.59179%0.788SS**  cis-128.1-170.2-10.441.4-24.3000113
62F29.6Very low33.4Very low196 Ų196130.1 Ų130.186%0.8678%0.777SS**  167.7125.9121.6-92.6-65.7000113.6
63G29.5Very low33.4Very low61 Ų61134.6 Ų134.663%0.62978%0.784SS**  trans-134.9-165.7141.200000106.5
64P51.9Low33.5Very low124 Ų124135 Ų13581%0.80578%0.777SS**  cis-121.4-166.61.342.8-28.9000111.9
65E29.2Very low33.3Very low192 Ų192135.1 Ų135.190%0.89778%0.778SS**  -169.8176.6125.1-108.6176-165.200112.5
66H33.4Very low32.3Very low174 Ų174134.7 Ų134.781%0.80678%0.777SS**  trans-154176.4-160.6-166.4-100.4000112.5
67M34.4Very low33.1Very low172 Ų172137 Ų13785%0.84778%0.781SS**  trans78.2160.2176.8-60.7-170.6168.200117.7
68A31.2Very low33Very low76 Ų76135.1 Ų135.163%0.62877%0.774SS**  cis-174.3139.5-36.600000109.9
69Q32.6Very low33.1Very low185 Ų185140.3 Ų140.386%0.86478%0.784SS**  trans176.4142.9159.3-102.4151.285.200109.7
70T33Very low33Very low110 Ų110139.2 Ų139.268%0.67577%0.774SS**  cis-162.3158.1-19.830000109.8
71N32.3Very low33Very low158 Ų158140.5 Ų140.585%0.84578%0.775SS**  trans71.3161.3159.2-59.7-14.2000118.8
72A30.3Very low32.3Very low89 Ų89141.9 Ų141.974%0.73677%0.773SS**  trans-157.9-168.8-161.200000111.6
73L29Very low32.4Very low165 Ų165138.2 Ų138.286%0.86477%0.772SS**  trans76.8162.9179.2-50.9172.9000115.5
74K29.7Very low32.7Very low175 Ų175142.3 Ų142.376%0.76177%0.774SS**  -170.9137.7-55.9-136.6-174178.7179.40107.1
75L26Very low31.8Very low159 Ų159145.7 Ų145.783%0.83278%0.779SS**  trans71.4153.8164.3-56.4167.4000118.5
76S27.2Very low32.1Very low114 Ų114142.9 Ų142.980%0.79777%0.766SS**  trans-94.6-166.3-177-36.70000110.8
77P44.7Very low32Very low111 Ų111139.6 Ų139.672%0.72177%0.769SS**  cis-144.1-171.72.641.4-20.1000117.8
78S27.7Very low32.1Very low105 Ų105139.1 Ų139.173%0.73476%0.764SS**  trans89.3155.9144.1-64.10000122.4
79Q30.9Very low32.2Very low194 Ų194142 Ų14291%0.90778%0.775SS**  trans74.1152.9168.2-60.9-170.14.200117.6
80H29Very low32.1Very low144 Ų144137.8 Ų137.867%0.66777%0.771SS**  cis-165.1-167.7-29.4-171.5-114000107.9Q82H80-Q82 PolarHBondContact CE1-OE1 3.19Å
81I32.1Very low32Very low156 Ų156136.6 Ų136.680%0.877%0.773SS**  trans78.8111.6178.6-48.7167.3000112.7
82Q34.2Very low32.1Very low119 Ų119135.4 Ų135.456%0.55677%0.771SS**  cis99.5109.813-162.9-176.22.400116.3H80 H84H80-Q82 PolarHBondContact CE1-OE1 3.19Å; Q82-H84 PolarHBondContact NE2-NE2 2.66Å
83S31.4Very low32.1Very low119 Ų119135.7 Ų135.783%0.83277%0.774SS**  trans-154.8134.2150.158.10000109
84H35.7Very low32.1Very low148 Ų148132.4 Ų132.469%0.68577%0.77SS**  trans-94.7162.2-172.4-75.2-132.1000112.7Q82Q82-H84 PolarHBondContact NE2-NE2 2.66Å
85H34.5Very low32.1Very low195 Ų195129.2 Ų129.290%0.90377%0.77SS**  -149.6143.5124.3-124.8-79.6000111
86E34Very low32.3Very low133 Ų133130.6 Ų130.662%0.62177%0.769SS**  trans-114.1152.9-171.8-58179.5110.100112.8
87A33Very low32.4Very low105 Ų105131 Ų13187%0.86877%0.768SS**  trans-155.9139149.300000108.9
88Q36Very low32Very low161 Ų161131.1 Ų131.175%0.75277%0.771SS**  trans-122.5141.8-172.6-59.1177.26.600112.6
89T33.9Very low32.2Very low138 Ų138130 Ų13085%0.84777%0.768SS**  trans-178.7124.8138.524.10000106.4
90A30.6Very low32.3Very low95 Ų95129.4 Ų129.479%0.78577%0.765SS**  67.7124.665.800000112.6
91A30.7Very low32.4Very low86 Ų86128 Ų12871%0.71177%0.767SS**  cis-161.8-178.2-2.900000111.5
92T32.8Very low32.4Very low132 Ų132126.3 Ų126.381%0.8176%0.764SS**  trans59116.2163.246.90000117.5
93A30.1Very low32.2Very low96 Ų96127.2 Ų127.279%0.79378%0.777SS**  56.8133.874.600000113
94A29.5Very low32.1Very low96 Ų96124.6 Ų124.679%0.79377%0.77SS**  cis-178.4163.3-9.900000105
95S30.7Very low31.9Very low107 Ų107126.9 Ų126.975%0.74878%0.778SS**  trans-35.4154.9178.1-44.30000117.9
96F29.1Very low33Very low188 Ų188122.8 Ų122.883%0.82577%0.768SS**  -172.5147.1113.7-118-107.2000115.2
97T30.6Very low32.8Very low124 Ų124123.1 Ų123.176%0.76178%0.779SS**  trans40.5140.4154.643.80000125.4
98S34.9Very low32.9Very low112 Ų112122 Ų12278%0.78377%0.77SS**  trans-87.7155.4161.754.40000114.2
99A32.9Very low33.6Very low83 Ų83120.4 Ų120.469%0.68677%0.773SS**  163131.6120.700000115.8
100Q33.4Very low33.7Very low180 Ų180122.2 Ų122.284%0.84177%0.772SS**  trans64.3164.8152.2-57173.11500116.9
101T30Very low34.9Very low114 Ų114122.7 Ų122.770%0.69977%0.767SS**  cis-152.8158.811-25.40000112
102T32.1Very low35.1Very low121 Ų121127.2 Ų127.274%0.74277%0.773SS**  trans10.3141.2155.852.60000121.9
103V30.3Very low35.1Very low138 Ų138126.7 Ų126.784%0.83678%0.775SS**  -160.3-178.356.5-73.30000111
104G30.1Very low35.1Very low65 Ų65125 Ų12567%0.6777%0.767SS**  cis153.8172.1-8.100000114
105F30.1Very low35.1Very low196 Ų196131.4 Ų131.486%0.8677%0.772SS**  trans75156.8167.5-66.5-63.1000120
106P57.3Low35.3Very low108 Ų108131 Ų13170%0.70177%0.769SS**  -143.6-173.8-71.534.6-11.6000118.5
107V30.8Very low35.4Very low140 Ų140126.9 Ų126.985%0.84876%0.764SS**  trans103.6141.8155.9-168.90000119.1
108A34.1Very low35.6Very low82 Ų82126.3 Ų126.368%0.67877%0.765SS**  trans-137.3-176-179.100000110.5
109P52Low35.5Very low127 Ų127130.6 Ų130.683%0.82576%0.764SS**  -151.6-165.863.340.9-17.4000117.3
110H36.5Very low35.5Very low177 Ų177134.4 Ų134.482%0.81977%0.773SS**  trans-92.1-171.4-178.8-66.5-65.6000113.1
111P55.1Low35.2Very low105 Ų105134.6 Ų134.668%0.68277%0.768SS**  cis-154.8-179.315.947.9-26.3000122.6
112H34.1Very low35.4Very low180 Ų180137 Ų13783%0.83377%0.774SS**  trans78.2130.1146.2-71.4-51.3000126.7
113S34.3Very low35.4Very low121 Ų121139.2 Ų139.285%0.84678%0.781SS**  trans72.9142.3145.2-153.30000120.8
114G28.4Very low35.4Very low62 Ų62142.4 Ų142.464%0.63978%0.778SS**  cis169.2173.9-700000115.1
115Y31.2Very low35.4Very low229 Ų229151.2 Ų151.290%0.89879%0.791SS**  trans73.2156170.7-87.4-109.8000121.4
116S33.8Very low35.4Very low98 Ų98148 Ų14869%0.68578%0.779SS**  -166.7-177.3-51.879.90000112.7
117S30.8Very low34.1Very low102 Ų102150.5 Ų150.571%0.71379%0.785SS**  trans95.7100.5169.9-165.10000116.4
118S35.5Very low34.1Very low112 Ų112149.8 Ų149.878%0.78379%0.786SS**  85144.259.4-640000113.1
119R32.4Very low33.8Very low203 Ų203150.7 Ų150.777%0.76679%0.793SS**  cis-158.5138.730.4-163178-169.41402.7113.8Y121R119-Y121 HydrophobicContact CG-CD2 3.95Å; R119-Y121 HydrophobicContact CG-CE2 4.19Å
120D32.7Very low32.8Very low162 Ų162150.4 Ų150.487%0.86680%0.795SS**  trans-115.1155163.5-101.3-47.1000110
121Y27.3Very low32.4Very low185 Ų185146.3 Ų146.373%0.72579%0.792SS**  trans-155127.4168.2-102.6-81.7000114R119R119-Y121 HydrophobicContact CG-CD2 3.95Å; R119-Y121 HydrophobicContact CG-CE2 4.19Å
122I35Very low31.3Very low164 Ų164148.4 Ų148.484%0.84179%0.794SS**  trans-134.1131.8158.4-68.6178.4000107.5
123L31.2Very low31.2Very low168 Ų168147.9 Ų147.988%0.8879%0.791SS**  trans-168.8162.6147-110.6175000112
124R31.5Very low31Very low205 Ų205145.4 Ų145.477%0.77478%0.779SS**  trans-77.1159.7-178.7-61.6-178.6176.8-147.73.7113.4E126R124-E126 IonicContact NH1-OE1 3.32Å; R124-E126 PolarHBondContact NH1-OE1 2.81Å; R124-E126 VanDerWaalsContact NH1-OE1 3.12Å
125R29.9Very low31.1Very low250 Ų250151.2 Ų151.294%0.94379%0.794SS**  trans-148.4159.7140.6-136.7177.6-170.7-1681.6110.7
126E30.2Very low30.9Very low129 Ų129143.7 Ų143.760%0.60379%0.786SS**  trans-126.7158.7-169.5-59.4-163177.600113.8R124R124-E126 IonicContact NH1-OE1 3.32Å; R124-E126 PolarHBondContact NH1-OE1 2.81Å; R124-E126 VanDerWaalsContact NH1-OE1 3.12Å
127L30.2Very low30.7Very low160 Ų160145.5 Ų145.584%0.83879%0.788SS**  trans50.8116.9148.6-70.5167.9000122.2
128S30.5Very low30.8Very low124 Ų124147.6 Ų147.687%0.86779%0.787SS**  trans-172154.7134.955.10000109.5
129A28.3Very low30.5Very low101 Ų101149.7 Ų149.784%0.83578%0.784SS**  cis-156.5171.1-24.800000109.1
130S29.3Very low30.3Very low122 Ų122144.6 Ų144.685%0.85378%0.779SS**  trans-92.5162.7-163.5-43.70000117
131A29.3Very low30.1Very low91 Ų91142.5 Ų142.575%0.75278%0.777SS**  trans-132.6117.7148.600000107.4
132M32.3Very low30Very low149 Ų149138.4 Ų138.473%0.73478%0.782SS**  69.3119.670.9-63-77.5-90.500110.8
133H30.3Very low29.6Very low168 Ų168136.1 Ų136.178%0.77878%0.78SS**  cis-147-176.514.6-84.6-92.8000109.7
134A30.6Very low29.6Very low70 Ų70133.1 Ų133.158%0.57977%0.773SS**  cis-179.2154.8-42.200000109.4
135L30.5Very low30.4Very low183 Ų183128.2 Ų128.296%0.95877%0.768SS**  trans68.2155.4173.6-44.4-179.7000115.6
136G27.8Very low30.4Very low71 Ų71123.2 Ų123.273%0.73276%0.755SS**  cis-162.8-167.82.300000113.5
137D29.8Very low30.5Very low136 Ų136125.1 Ų125.173%0.72776%0.764SS**  trans-84.3144.6-158.7-81-87.2000119.6
138Q31.8Very low30.6Very low147 Ų147125.2 Ų125.269%0.68776%0.759SS**  trans64.9160.2133.4-63.7173.153.300123.7
139H29.9Very low30.4Very low155 Ų155122.8 Ų122.872%0.71875%0.754SS**  trans73.7105.4156.9-78.3-60.8000123
140S28.8Very low30.8Very low97 Ų97126.3 Ų126.368%0.67876%0.755SS**  49.3123.6120.2-54.50000123.1
141S27.6Very low30.8Very low118 Ų118129.6 Ų129.683%0.82576%0.755SS**  trans82.8152136.377.30000121.2
142A25.5Very low30.8Very low99 Ų99132.3 Ų132.382%0.81876%0.755SS**  trans65.4149.7177.200000115.8
143S26.6Very low30.9Very low116 Ų116129.3 Ų129.381%0.81175%0.754SS**  cis-149.8166.3-4.536.70000111.4
144S30.4Very low32.3Very low104 Ų104126.7 Ų126.773%0.72775%0.752SS**  trans-82.4167169.8-176.70000111.1
145P48.2Very low32.3Very low103 Ų103130.6 Ų130.667%0.66977%0.769SS**  -141.3143.2112.325.6-7.1000116.2
146H31.7Very low32.2Very low144 Ų144125.1 Ų125.167%0.66776%0.756SS**  trans40.2145141.5-49.6-67000121.3
147H31.8Very low32.3Very low170 Ų170126.2 Ų126.279%0.78776%0.758SS**  cis-139.4146.931.7-93.8-96.6000115.9
148H31.1Very low32.3Very low161 Ų161131.7 Ų131.775%0.74577%0.77SS**  trans6.8143.7141-61.6-101.6000120.6
149G27.6Very low32.1Very low73 Ų73127.9 Ų127.975%0.75377%0.771SS**  cis176.1179.81.700000115.5
150M36Very low32.1Very low175 Ų175129.5 Ų129.586%0.86278%0.778SS**  trans-125.3139.4-174.3-76.8-92.9-68.300111.5
151F28.5Very low32.1Very low192 Ų192129 Ų12984%0.84278%0.78SS**  trans-149.1109.5155.7-98.2-93.4000106.7
152I30.1Very low32.3Very low148 Ų148131.3 Ų131.376%0.75978%0.778SS**  83.3134.790-76.4179.8000113.8
153A34.3Very low32.6Very low85 Ų85132.5 Ų132.570%0.70278%0.775SS**  trans-98.7-155.9178.400000109.8
154P59.5Low32.6Very low114 Ų114130.1 Ų130.174%0.7477%0.769SS**  cis-132.5179.3-16.241.9-25.4000114.2
155T32Very low32.5Very low152 Ų152130 Ų13093%0.93377%0.774SS**  trans173.6156.7156.418.30000106.9
156G27.2Very low32Very low67 Ų67134 Ų13469%0.69178%0.783SS**  cis171.7108.3-6.300000106.1
157A29.1Very low33Very low94 Ų94132.4 Ų132.478%0.77779%0.786SS**  75.790.385.400000115.5
158Y30.2Very low32.8Very low251 Ų251131.6 Ų131.698%0.98479%0.787SS**  trans-172.6142155.2-85.9-68.3000107.2
159G27.6Very low32.6Very low68 Ų68133.3 Ų133.370%0.70179%0.792SS**  cis-171.9147.6-8.400000112
160H31Very low32.8Very low188 Ų188134.2 Ų134.287%0.8779%0.787SS**  trans-45147.7178.3-75.3-98.8000116.8
161A29.1Very low32.3Very low87 Ų87129 Ų12972%0.71978%0.778SS**  72.3155.273.800000114.9
162E32Very low32.5Very low166 Ų166126.7 Ų126.778%0.77677%0.774SS**  cis-131.5-119.6-8.1-156.6-161.5-78.200111.2
163T30.4Very low32.6Very low124 Ų124127.1 Ų127.176%0.76177%0.773SS**  cis-160.2139.3-1-30.70000112.8
164G26.4Very low32.5Very low66 Ų66129 Ų12968%0.6877%0.771SS**  trans82.8169.5156.300000120
165A28.4Very low31.4Very low102 Ų102131.3 Ų131.384%0.84377%0.772SS**  cis-167.7152.3-20.100000111.3
166H38.4Very low31.2Very low186 Ų186127.9 Ų127.986%0.86176%0.759SS**  trans-78.3168.9169.6-84.8-70.6000111.6
167P51.4Low31.3Very low111 Ų111129 Ų12972%0.72176%0.762SS**  -159.2-156.450.242.6-16.8000118.9
168L28.1Very low32.3Very low154 Ų154130.7 Ų130.781%0.80677%0.765SS**  trans93.4123.8169.8-49.1-177.6000116.4
169F27Very low32.3Very low196 Ų196122.3 Ų122.386%0.8676%0.755SS**  cis86.5138.449.2-100.9-124.7000114.5
170S31.3Very low32.3Very low92 Ų92123.6 Ų123.664%0.64376%0.758SS**  cis-174.5166.8-15.3-108.90000112.9
171G27.3Very low32.2Very low65 Ų65123 Ų12367%0.6776%0.755SS**  trans140.1115.6164.400000113.3
172L31.7Very low32.2Very low144 Ų144127.1 Ų127.175%0.75476%0.759SS**  cis84.1134.540.7-64.8171.1000114
173H33Very low32.1Very low158 Ų158127.2 Ų127.273%0.73176%0.76SS**  cis-115.1-149.5-9.1-62.586.8000108.6
174D32.1Very low32Very low124 Ų124129.8 Ų129.866%0.66376%0.763SS**  cis-169.1171-7.3-133.414.9000105.8
175Q36Very low32.2Very low163 Ų163133.2 Ų133.276%0.76276%0.761SS**  cis-163.2179.3-20.9-135.9-171.9107.100105.2
176A27.4Very low32.3Very low80 Ų80135.7 Ų135.766%0.66176%0.755SS**  cis-154.6-160-0.300000109.3
177A28.7Very low31.9Very low91 Ų91135.3 Ų135.375%0.75275%0.753SS**  trans-153.6-172.717500000110.1
178P51.4Low31Very low129 Ų129133.7 Ų133.784%0.83875%0.749SS**  cis-137.4177.7-9.242.1-25.6000115.9
179G28.9Very low31.2Very low75 Ų75133.8 Ų133.877%0.77375%0.749SS**  trans125.2149.3135.700000122.1
180A28.9Very low31.4Very low94 Ų94131.9 Ų131.978%0.77775%0.748SS**  trans73.4101.9151.400000123.8
181H29Very low31.4Very low175 Ų175130.9 Ų130.981%0.8175%0.753SS**  52.3146.7120.1-80.5-82.8000126
182H28.5Very low31.6Very low174 Ų174136.8 Ų136.881%0.80676%0.763SS**  trans94.4144.7146.9-92.299000122.5
183H29.7Very low31.6Very low168 Ų168137.7 Ų137.778%0.77877%0.765SS**  trans-73.4158.8169-58.3-60.5000111.9
184H28.9Very low31.6Very low178 Ų178140.3 Ų140.382%0.82477%0.768SS**  -169.4-175.196.8-131.561000115.3
185H30.2Very low31.5Very low139 Ų139141.8 Ų141.864%0.64478%0.775SS**  trans-100173.3-153.5-133.4-117.4000115.2
186H30.6Very low31.1Very low154 Ų154137.5 Ų137.571%0.71378%0.775SS**  trans69.8150.5160.6-69.7-57000117.8
187H29.1Very low31Very low177 Ų177141.9 Ų141.982%0.81979%0.787SS**  cis-142.6172.838.8-131.8-87.6000115.8
188A32.4Very low31.8Very low78 Ų78142.9 Ų142.965%0.64579%0.786SS**  trans-131.6160.4177.500000113
189L32.3Very low30.8Very low156 Ų156140.6 Ų140.682%0.81779%0.785SS**  trans-152.4142.7173.6-66.2177.7000106.4
190N32.2Very low30.7Very low155 Ų155143.2 Ų143.283%0.82978%0.782SS**  cis-136.5171-5.7-73.2-48.5000107
191G30.7Very low30.9Very low72 Ų72146.8 Ų146.874%0.74279%0.786SS**  cis-169.2165.30.600000109
192Q33Very low30.8Very low189 Ų189149 Ų14988%0.88379%0.788SS**  trans-90.6161.4-163.3-54.2167.9-51.200114.4
193M29.9Very low30.8Very low162 Ų162144.4 Ų144.480%0.79879%0.789SS**  -171125.8104.4-98.7-157.6-68.700114.3
194R33.3Very low30.9Very low213 Ų213145.7 Ų145.780%0.80479%0.787SS**  trans51.4142.9138.3-66.2-170.3131152.4-4120
195L30.4Very low31.4Very low155 Ų155142.5 Ų142.581%0.81278%0.782SS**  cis-163.3157.45.6-114.6163.9000108.6
196G26.8Very low31.3Very low73 Ų73141.4 Ų141.475%0.75378%0.777SS**  trans124.5105.9159.900000117.5
197L26.9Very low31.5Very low173 Ų173141.8 Ų141.891%0.90678%0.779SS**  trans-116.7178.9163.2-82.1169.7000107.8
198P44.8Very low31.5Very low112 Ų112143.4 Ų143.473%0.72778%0.784SS**  cis-126-169.1-5.627.3-3.9000113.1
199G30.3Very low31.3Very low81 Ų81142.6 Ų142.684%0.83578%0.783SS**  trans-179.854.3175.500000115.2
200D27.4Very low31.1Very low130 Ų130144.4 Ų144.470%0.69579%0.787SS**  trans-71.7153.6-179.9-57.2-88.7000114.2
201I32.2Very low31.2Very low168 Ų168147 Ų14786%0.86279%0.785SS**  -175.2148.1119.6-94157000110.7
202Y28Very low31.3Very low221 Ų221148.8 Ų148.887%0.86778%0.784SS**  trans-86.6156.6-171.6-85.3-115.2000114.3
203G27.4Very low31.1Very low79 Ų79145.5 Ų145.581%0.81477%0.768SS**  trans-172.164.1174.600000116.4
204R32.4Very low31.1Very low194 Ų194146.9 Ų146.973%0.73277%0.772SS**  trans-68.7155.2160.6-119.7179.5152.3-110-12.6108.6E206R204-E206 IonicContact CZ-OE1 3.1Å; R204-E206 IonicContact NH1-OE1 2.66Å; R204-E206 PolarHBondContact NH1-OE1 3.26Å; R204-E206 IonicContact NH2-OE1 3.54Å; R204-E206 PolarHBondContact NH2-OE1 3.2Å
205P39.1Very low31.2Very low111 Ų111146.7 Ų146.772%0.72177%0.773SS**  -151.2156.857.639.9-19.4000119.3
206E28.8Very low31Very low117 Ų117142.5 Ų142.555%0.54777%0.767SS.*  trans60.9164.5139.5-66.3-57.4148.700123.8R204R204-E206 IonicContact CZ-OE1 3.1Å; R204-E206 IonicContact NH1-OE1 2.66Å; R204-E206 PolarHBondContact NH1-OE1 3.26Å; R204-E206 IonicContact NH2-OE1 3.54Å; R204-E206 PolarHBondContact NH2-OE1 3.2Å
207H34Very low31.4Very low161 Ų161144.3 Ų144.375%0.74577%0.766SS**  trans-76.8145.3-175.4-63.8-95.5000113.8
208F28.6Very low31.3Very low212 Ų212141.1 Ų141.193%0.9376%0.758SS**  -163.8156.9101.7-116-89.5000110.3
209G29Very low30.5Very low61 Ų61141.8 Ų141.863%0.62977%0.766SS**  trans-89.1135.2-167.700000114.9
210H28.7Very low30.5Very low194 Ų194144.9 Ų144.990%0.89876%0.761SS**  trans-141.5141.6151.5-100.3-83.9000110.3P212H210-P212 WeakPolarHBondContact O-CD 3.27Å
211R34.4Very low30.8Very low208 Ų208147.3 Ų147.379%0.78577%0.768SS**PPolyproline II helixtrans-81.9129.1177.6162-174.3161.9176.7-4.6110.6E213R211-E213 IonicContact CZ-OE1 3.05Å; R211-E213 IonicContact NE-OE1 2.65Å; R211-E213 IonicContact NH2-OE1 2.67Å; R211-E213 PolarHBondContact NH2-OE1 2.9Å; R211-E213 VanDerWaalsContact NH2-OE1 3.08Å
212P31.9Very low30.4Very low110 Ų110144.6 Ų144.671%0.71476%0.764SS**PPolyproline II helixtrans-103.4150.9157.1-1.823.4000112H210H210-P212 WeakPolarHBondContact O-CD 3.27Å
213E29.9Very low30.6Very low120 Ų120144 Ų14456%0.56176%0.762SS**PPolyproline II helixtrans-58.8133169.8-68.7-70.4108.100112.9R211R211-E213 IonicContact CZ-OE1 3.05Å; R211-E213 IonicContact NE-OE1 2.65Å; R211-E213 IonicContact NH2-OE1 2.67Å; R211-E213 PolarHBondContact NH2-OE1 2.9Å; R211-E213 VanDerWaalsContact NH2-OE1 3.08Å
214H29.6Very low30.8Very low191 Ų191147.2 Ų147.288%0.88476%0.76SS**  trans-12371.2156.7-91.4-52.2000110.4G216H214-G216 PolarHBondContact O-N 3.04Å
215Y34.3Very low30.9Very low209 Ų209143.6 Ų143.682%0.8277%0.765SS**  trans-72.975.6166.9-144.4-81.2000109.5P217Y215-P217 WeakPolarHBondContact O-CD 3.35Å
216G25.6Very low30.8Very low67 Ų67146 Ų14669%0.69177%0.768SS**  trans-77.5113.8179.800000111.8H214H214-G216 PolarHBondContact O-N 3.04Å
217P35.4Very low31Very low111 Ų111147.1 Ų147.172%0.72178%0.778SS**  trans-85.1172.5-174.835.1-36.4000113.1Y215Y215-P217 WeakPolarHBondContact O-CD 3.35Å
218S25.6Very low31.4Very low106 Ų106143.7 Ų143.774%0.74177%0.765SS**  trans104.492.2160.8-46.90000117.9
219S28.5Very low31.8Very low127 Ų127140.9 Ų140.989%0.88876%0.759SS**  trans-143.972.4131.7-148.60000109.8
220I29.1Very low32.7Very low145 Ų145142.5 Ų142.574%0.74476%0.757SS**  trans-68.3151178.6-65.8173.6000109.7S222I220-S222 PolarHBondContact O-N 2.81Å
221H34.4Very low33.3Very low182 Ų182139.2 Ų139.284%0.84375%0.746SS**  trans-59.8100.2173.5-81.2-2.1000112.8
222S24.8Very low33.9Very low110 Ų110133.3 Ų133.377%0.76973%0.729SS**  trans-10489.5162.7-72.70000110.7I220I220-S222 PolarHBondContact O-N 2.81Å
223Y31Very low34.6Very low208 Ų208132.8 Ų132.882%0.81673%0.734SS**  trans-111.68.4164.7-98.3-77.1000113.1
224N32.8Very low35.3Very low148 Ų148131.8 Ų131.879%0.79174%0.74SS**SBendtrans-94.7151.9168.5-70.8-16.7000110.4
225S34Very low36.3Very low117 Ų117123.5 Ų123.582%0.81871%0.705SS**  trans54.363.717562.10000117.6N227S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 PolarHBondContact O-N 3.13Å
226M37.2Very low36.9Very low162 Ų162118 Ų11880%0.79869%0.694SS**  trans-79.887.3144.6-82.2-168.4-74.300108.8L228M226-L228 PolarHBondContact O-N 3.18Å
227N33.1Very low38.2Very low141 Ų141122.4 Ų122.475%0.75470%0.697SS**  trans-70.4113.6175.3-172-15.3000109.5S225 N229S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 PolarHBondContact O-N 3.13Å; N227-N229 PolarHBondContact O-N 2.99Å
228L42.4Very low38.9Very low88 Ų88119.2 Ų119.246%0.46168%0.684SS.*  trans-96.716-162.7-125.7159.8000113.8M226 V230 L244M226-L228 PolarHBondContact O-N 3.18Å; L228-V230 PolarHBondContact O-N 2.94Å; L228-L244 HydrophobicContact CD2-CD2 3.79Å
229N36.4Very low40Very low153 Ų153117 Ų11782%0.81867%0.673SS**  trans-8247.4-176.1-154.628.8000113.5N227N227-N229 PolarHBondContact O-N 2.99Å
230V47.3Very low41.1Very low95 Ų95114.2 Ų114.258%0.57666%0.657SS**  trans-93127.2179.3179.20000110L228 I232L228-V230 PolarHBondContact O-N 2.94Å; V230-I232 PolarHBondContact O-N 2.97Å
231N41.3Very low42.3Very low126 Ų126107.4 Ų107.467%0.67462%0.622SS**  trans-67.6126.2179-167.4-11.2000111A233 S234N231-A233 PolarHBondContact O-N 3.26Å; N231-S234 PolarHBondContact O-OG 3.15Å
232I47.4Very low43.4Very low83 Ų83101.3 Ų101.343%0.42660%0.604SS.*G310 helixtrans-79.1-21.3-164.4-69.4172.2000113V230 S234 A235V230-I232 PolarHBondContact O-N 2.97Å; I232-S234 PolarHBondContact O-N 2.93Å; I232-S234 VanDerWaalsContact O-N 3.1Å; I232-A235 WeakPolarHBondContact O-CB 3.46Å; I232-A235 PolarHBondContact O-N 2.69Å; I232-A235 VanDerWaalsContact O-N 3.13Å
233A46.5Very low44.7Very low100 Ų10099.3 Ų99.383%0.82658%0.581SS**G310 helixtrans-60.3-22.5-17800000114.2N231N231-A233 PolarHBondContact O-N 3.26Å
234S45.3Very low46Very low99 Ų9992.2 Ų92.269%0.69256%0.557SS**G310 helixtrans-109.18.7179.952.60000114.2N231 I232 P236N231-S234 PolarHBondContact O-OG 3.15Å; I232-S234 PolarHBondContact O-N 2.93Å; I232-S234 VanDerWaalsContact O-N 3.1Å; S234-P236 WeakPolarHBondContact O-CD 3.46Å
235A49.4Very low47.2Very low17 Ų1790.5 Ų90.514%0.1454%0.539CS..  trans-69.5115.9-178.400000111.7I232I232-A235 WeakPolarHBondContact O-CB 3.46Å; I232-A235 PolarHBondContact O-N 2.69Å; I232-A235 VanDerWaalsContact O-N 3.13Å
236P48Very low48.2Very low92 Ų9289 Ų8960%0.59752%0.516SS*.  trans-68.5151.4-172.327.7-35.6000112.4S234 G238 G241S234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-G238 PolarHBondContact O-N 3.25Å; P236-G241 WeakPolarHBondContact O-CA 3.32Å
237H51.6Low49Very low161 Ų16182.8 Ų82.875%0.74549%0.486SS*.THydrogen-bonded Turntrans-69.59.6-176.3-80.1-132.1000115.2R245H237-R245 PolarHBondContact CD2-NH2 2.93Å; H237-R245 VanDerWaalsContact CD2-NH2 3.3Å; H237-R245 PolarHBondContact NE2-NH1 2.8Å; H237-R245 PolarHBondContact NE2-NH2 2.86Å
238G50.6Low50Low43 Ų4384 Ų8444%0.44348%0.48SS..THydrogen-bonded Turntrans-77.5-178.1172.900000113.7P236 A240 G241 A242P236-G238 PolarHBondContact O-N 3.25Å; G238-A240 PolarHBondContact O-N 2.6Å; G238-A240 VanDerWaalsContact O-N 3.09Å; G238-G241 PolarHBondContact O-N 3.47Å; G238-A242 PolarHBondContact O-N 2.72Å
239A50Low50.5Low61 Ų6185.4 Ų85.450%0.50448%0.484SS..Hα-helixtrans-56.9-29.4-174.400000114.6F243 P333A239-F243 WeakPolarHBondContact O-CB 3.4Å; A239-F243 PolarHBondContact O-N 2.81Å; A239-P333 HydrophobicContact CB-CB 4.4Å
240A50.6Low51Low68 Ų6882.9 Ų82.956%0.56248%0.476SS*.Hα-helixtrans-69.1-42.3174.900000112.6G238 F243 L244G238-A240 PolarHBondContact O-N 2.6Å; G238-A240 VanDerWaalsContact O-N 3.09Å; A240-F243 PolarHBondContact O-N 3.19Å; A240-L244 WeakPolarHBondContact O-CG 3.23Å; A240-L244 PolarHBondContact O-N 3.17Å
241G55.2Low51.1Low1 Ų182.5 Ų82.51%0.0147%0.47CS..Hα-helixtrans-66.9-38173.300000112P236 G238 L244 R245P236-G241 WeakPolarHBondContact O-CA 3.32Å; G238-G241 PolarHBondContact O-N 3.47Å; G241-L244 PolarHBondContact O-N 3.13Å; G241-R245 WeakPolarHBondContact O-CB 3.34Å; G241-R245 WeakPolarHBondContact O-CD 3.38Å; G241-R245 WeakPolarHBondContact O-CG 3.33Å; G241-R245 PolarHBondContact O-N 3.1Å
242A55.7Low51.4Low55 Ų5586.5 Ų86.546%0.45548%0.481SS..Hα-helixtrans-63.5-40.9172.600000112.4G238 R245 Y246G238-A242 PolarHBondContact O-N 2.72Å; A242-R245 PolarHBondContact O-N 2.68Å; A242-Y246 WeakPolarHBondContact O-CB 3.4Å; A242-Y246 PolarHBondContact O-N 2.96Å
243F53.2Low51.7Low68 Ų6889.2 Ų89.230%0.29849%0.492SS..Hα-helixtrans-60.7-50.9173.3169.7-98.1000111.7A239 A240 R245 Y246 M247 P329 P331A239-F243 WeakPolarHBondContact O-CB 3.4Å; A239-F243 PolarHBondContact O-N 2.81Å; A240-F243 PolarHBondContact O-N 3.19Å; F243-R245 VanDerWaalsContact C-N 3.34Å; F243-R245 PolarHBondContact O-N 3.15Å; F243-Y246 PolarHBondContact O-N 3.28Å; F243-M247 HydrophobicContact CD1-CG 4.35Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE1-CG 4.08Å; F243-M247 HydrophobicContact CE2-CE 4.36Å; F243-M247 HydrophobicContact CE2-CG 3.66Å; F243-M247 HydrophobicContact CE2-SD 3.94Å; F243-M247 HydrophobicContact CG-CG 4.3Å; F243-M247 HydrophobicContact CZ-CE 4.13Å; F243-M247 HydrophobicContact CZ-CG 3.73Å; F243-M247 HydrophobicContact CZ-SD 4.23Å; F243-M247 WeakPolarHBondContact O-CB 3.27Å; F243-M247 VanDerWaalsContact O-CG 3.23Å; F243-M247 WeakPolarHBondContact O-CG 3.35Å; F243-M247 PolarHBondContact O-N 3.13Å; F243-P329 HydrophobicContact CE2-CB 4.45Å; F243-P329 WeakPolarHBondContact CE2-O 3.11Å; F243-P331 HydrophobicContact CD2-CG 4.47Å
244L58Low52.4Low58 Ų5892 Ų9230%0.30449%0.488SS..Hα-helixtrans-62.2-39.3178-68.7174.9000112.5L228 A240 G241 R248L228-L244 HydrophobicContact CD2-CD2 3.79Å; A240-L244 WeakPolarHBondContact O-CG 3.23Å; A240-L244 PolarHBondContact O-N 3.17Å; G241-L244 PolarHBondContact O-N 3.13Å; L244-R248 WeakPolarHBondContact O-CB 3.47Å; L244-R248 PolarHBondContact O-N 3.2Å
245R57.3Low53.6Low113 Ų11388.5 Ų88.543%0.42646%0.461SS..Hα-helixtrans-65.5-37.7175.3-71167.2-171.4179.72.1112.1H237 G241 A242 F243 Q249H237-R245 PolarHBondContact CD2-NH2 2.93Å; H237-R245 VanDerWaalsContact CD2-NH2 3.3Å; H237-R245 PolarHBondContact NE2-NH1 2.8Å; H237-R245 PolarHBondContact NE2-NH2 2.86Å; G241-R245 WeakPolarHBondContact O-CB 3.34Å; G241-R245 WeakPolarHBondContact O-CD 3.38Å; G241-R245 WeakPolarHBondContact O-CG 3.33Å; G241-R245 PolarHBondContact O-N 3.1Å; A242-R245 PolarHBondContact O-N 2.68Å; F243-R245 VanDerWaalsContact C-N 3.34Å; F243-R245 PolarHBondContact O-N 3.15Å; R245-Q249 WeakPolarHBondContact O-CG 3.06Å; R245-Q249 PolarHBondContact O-N 3.09Å; R245-Q249 VanDerWaalsContact O-N 3.15Å
246Y55.8Low54.7Low84 Ų8491.9 Ų91.933%0.32948%0.476SS..Hα-helixtrans-70.2-45.6174.5176.3-106.8000112.3A242 F243 R248 Q249 K328 V340A242-Y246 WeakPolarHBondContact O-CB 3.4Å; A242-Y246 PolarHBondContact O-N 2.96Å; F243-Y246 PolarHBondContact O-N 3.28Å; Y246-R248 VanDerWaalsContact C-N 3.26Å; Y246-R248 PolarHBondContact O-N 3.42Å; Y246-Q249 PolarHBondContact O-N 3.34Å; Y246-K328 WeakPolarHBondContact CE1-O 3.38Å; Y246-V340 HydrophobicContact CE1-CG1 4.39Å; Y246-V340 HydrophobicContact CE2-CG1 4.29Å
247M53.9Low56.1Low33 Ų3387.6 Ų87.616%0.16345%0.448CS..Hα-helixtrans-67.3-25.4-179.9-65.4-68.8-77.900112.9F243 H278 P329F243-M247 HydrophobicContact CD1-CG 4.35Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE1-CG 4.08Å; F243-M247 HydrophobicContact CE2-CE 4.36Å; F243-M247 HydrophobicContact CE2-CG 3.66Å; F243-M247 HydrophobicContact CE2-SD 3.94Å; F243-M247 HydrophobicContact CG-CG 4.3Å; F243-M247 HydrophobicContact CZ-CE 4.13Å; F243-M247 HydrophobicContact CZ-CG 3.73Å; F243-M247 HydrophobicContact CZ-SD 4.23Å; F243-M247 WeakPolarHBondContact O-CB 3.27Å; F243-M247 VanDerWaalsContact O-CG 3.23Å; F243-M247 WeakPolarHBondContact O-CG 3.35Å; F243-M247 PolarHBondContact O-N 3.13Å; M247-H278 HydrophobicContact CE-CB 4Å; M247-P329 HydrophobicContact CE-CB 4.44Å; M247-P329 HydrophobicContact SD-CB 4.22Å
248R53.9Low57.3Low165 Ų16583.1 Ų83.162%0.62343%0.427SS*.THydrogen-bonded Turntrans-108.321.4175.8-153.2-167-103.3-148.6-1113.3L244 Y246 P250L244-R248 WeakPolarHBondContact O-CB 3.47Å; L244-R248 PolarHBondContact O-N 3.2Å; Y246-R248 VanDerWaalsContact C-N 3.26Å; Y246-R248 PolarHBondContact O-N 3.42Å; R248-P250 WeakPolarHBondContact O-CD 3.35Å
249Q53.5Low58.5Low119 Ų11981.5 Ų81.556%0.55641%0.407SS*.  trans-73.3118.5166.8-101.5172-2.400108.8R245 Y246 I251R245-Q249 WeakPolarHBondContact O-CG 3.06Å; R245-Q249 PolarHBondContact O-N 3.09Å; R245-Q249 VanDerWaalsContact O-N 3.15Å; Y246-Q249 PolarHBondContact O-N 3.34Å; Q249-I251 PolarHBondContact O-N 3.47Å
250P45.8Very low59.7Low100 Ų10080.1 Ų80.165%0.64939%0.391SS*.  trans-73.395.2176.730.1-33.3000109.1R248 K252R248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-K252 PolarHBondContact O-N 3.31Å
251I51.3Low60.7Low86 Ų8680.5 Ų80.544%0.44138%0.381SS..  trans-60.4117.8161.2-56.7175.5000105.4Q249 Q253 M277Q249-I251 PolarHBondContact O-N 3.47Å; I251-Q253 HydrophobicContact CG2-CB 4.09Å; I251-Q253 HydrophobicContact CG2-CG 4.13Å; I251-Q253 PolarHBondContact O-N 3.33Å; I251-M277 HydrophobicContact CD1-CE 4.31Å
252K46.7Very low60.8Low210 Ų21087.3 Ų87.391%0.91341%0.413SS*.SBendtrans-75.946.6-177.7-63.6-172.3178.1-174.70112.4P250P250-K252 PolarHBondContact O-N 3.31Å
253Q54.1Low60.8Low140 Ų14088.5 Ų88.565%0.65441%0.412SS*.SBendtrans-134124.1176.2-61.7-176.5-6400106.5I251 L255I251-Q253 HydrophobicContact CG2-CB 4.09Å; I251-Q253 HydrophobicContact CG2-CG 4.13Å; I251-Q253 PolarHBondContact O-N 3.33Å; Q253-L255 PolarHBondContact O-N 3.45Å
254E61.5Low61Low159 Ų15995 Ų9574%0.74344%0.443SS*.  trans-66.2115.5178.3-63.3178.6162.100108.9I256 T273E254-I256 PolarHBondContact O-N 3.3Å; E254-T273 HydrophobicContact CB-CG2 4.34Å
255L70.1Confident60.8Low25 Ų2598.8 Ų98.813%0.13147%0.468CS..EExtended strand (participates in β ladder)trans-8487.9-173.9-65175.6000109.3Q253 Y274 M277 L280Q253-L255 PolarHBondContact O-N 3.45Å; L255-Y274 PolarHBondContact N-O 2.76Å; L255-Y274 VanDerWaalsContact N-O 3.13Å; L255-Y274 PolarHBondContact O-N 3.46Å; L255-M277 HydrophobicContact CD1-CB 4.17Å; L255-M277 HydrophobicContact CD1-CE 3.62Å; L255-M277 HydrophobicContact CD1-SD 3.89Å; L255-M277 HydrophobicContact CD2-CE 3.73Å; L255-M277 HydrophobicContact CG-CE 4.35Å; L255-L280 HydrophobicContact CB-CD2 4.07Å
256I72.9Confident60.7Low89 Ų8995.3 Ų95.346%0.45646%0.461SS..EExtended strand (participates in β ladder)trans-73.4129.4177.9-63.1160.7000109.8E254 T273E254-I256 PolarHBondContact O-N 3.3Å; I256-T273 HydrophobicContact CG1-CG2 3.71Å
257C77.8Confident60.9Low1 Ų199.4 Ų99.41%0.00748%0.481CS..  trans-71.1135.9166-174.50000110.1C270 K272 Y274 L280C257-C270 CarbonylContact C-O 3.5Å; C257-C270 VanDerWaalsContact CB-O 3.27Å; C257-C270 WeakPolarHBondContact CB-O 3.37Å; C257-K272 PolarHBondContact N-O 2.67Å; C257-Y274 HydrophobicContact CB-CE2 4.5Å; C257-L280 HydrophobicContact CB-CD1 3.61Å
258K75.6Confident61.6Low67 Ų67102.6 Ų102.629%0.29149%0.494SS..  trans-118.936176.7-75.1171.1146.8-92.60110.9W301 E302 E303K258-W301 HydrophobicContact CB-CD2 4.14Å; K258-W301 HydrophobicContact CB-CH2 4.41Å; K258-W301 HydrophobicContact CB-CZ2 3.8Å; K258-W301 WeakPolarHBondContact O-CA 3.43Å; K258-E302 HydrophobicContact CB-CG 4.22Å; K258-E302 WeakPolarHBondContact CG-OE2 3.1Å; K258-E302 IonicContact NZ-OE2 2.72Å; K258-E302 PolarHBondContact NZ-OE2 3.2Å; K258-E302 PolarHBondContact O-N 3.21Å; K258-E302 VanDerWaalsContact O-N 3.15Å; K258-E303 IonicContact NZ-OE1 3.49Å; K258-E303 PolarHBondContact NZ-OE1 3.29Å
259W76.3Confident62.6Low9 Ų997.5 Ų97.53%0.03448%0.482CS..BIsolated β-bridgetrans-83.6130.5176.4-165.6-79.7000110.3P269 C270 V284 H288 V289 V298 F300 W301 L317 I321W259-P269 CarbonylContact O-C 3.56Å; W259-P269 WeakPolarHBondContact O-CA 3.43Å; W259-C270 HydrophobicContact CB-CB 4.43Å; W259-C270 PolarHBondContact O-N 3.41Å; W259-V284 HydrophobicContact CD2-CG1 4.4Å; W259-V284 HydrophobicContact CE3-CG1 3.58Å; W259-V284 HydrophobicContact CZ3-CG1 3.75Å; W259-H288 VanDerWaalsContact CB-CD2 3.42Å; W259-H288 WeakPolarHBondContact CB-CD2 3.44Å; W259-H288 AromaticContact CD1-CD2 3.71Å; W259-H288 AromaticContact CD1-CG 3.49Å; W259-H288 VanDerWaalsContact CD1-CG 3.49Å; W259-H288 AromaticContact CD1-ND1 3.77Å; W259-H288 HydrophobicContact CD2-CB 3.78Å; W259-H288 AromaticContact CD2-CD2 3.92Å; W259-H288 AromaticContact CD2-CG 4Å; W259-H288 HydrophobicContact CE3-CB 4.47Å; W259-H288 HydrophobicContact CG-CB 3.91Å; W259-H288 AromaticContact CG-CD2 3.37Å; W259-H288 AromaticContact CG-CG 3.59Å; W259-H288 AromaticContact CG-NE2 3.9Å; W259-H288 HydrophobicContact CZ2-CB 4.09Å; W259-H288 AromaticContact NE1-CG 3.86Å; W259-V289 HydrophobicContact CH2-CG2 4.04Å; W259-V298 WeakPolarHBondContact CH2-O 3.23Å; W259-F300 CarbonylContact C-O 3.58Å; W259-F300 WeakPolarHBondContact CA-O 3.44Å; W259-F300 HydrophobicContact CZ2-CB 4.2Å; W259-F300 AromaticContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CG 4.47Å; W259-F300 AromaticContact NE1-CD2 3.97Å; W259-W301 HydrophobicContact CE3-CE3 4.22Å; W259-L317 HydrophobicContact CH2-CD1 4.49Å; W259-L317 HydrophobicContact CH2-CD2 4.36Å; W259-I321 HydrophobicContact CZ3-CD1 3.99Å; W259-I321 HydrophobicContact CZ3-CG1 4.09Å
260I75Confident63.7Low32 Ų3292.2 Ų92.216%0.16446%0.459CS..EExtended strand (participates in β ladder)trans-89.1120.5176-57.5173.7000108.7K267 F300 E302I260-K267 HydrophobicContact CG2-CB 3.8Å; I260-K267 HydrophobicContact CG2-CD 4.33Å; I260-K267 HydrophobicContact CG2-CG 4.04Å; I260-F300 HydrophobicContact CB-CB 4.37Å; I260-F300 PolarHBondContact N-O 3.01Å; I260-F300 WeakPolarHBondContact O-CB 3.32Å; I260-E302 HydrophobicContact CD1-CG 4.09Å; I260-E302 HydrophobicContact CG1-CG 3.93Å
261E70.6Confident65.1Low77 Ų7791.7 Ų91.736%0.3646%0.457SS..EExtended strand (participates in β ladder)trans-82.4132.8169.5-65.6-179.2151.200109.5D263 K268 H288E261-D263 PolarHBondContact O-N 3.21Å; E261-K268 PolarHBondContact N-O 3.2Å; E261-H288 IonicContact OE1-CE1 2.86Å; E261-H288 PolarHBondContact OE1-CE1 2.94Å; E261-H288 IonicContact OE1-ND1 2.67Å; E261-H288 PolarHBondContact OE1-ND1 3.28Å
262Q58.8Low66.4Low143 Ų14391.8 Ų91.867%0.66845%0.454SS*.EExtended strand (participates in β ladder)trans-97.257.2-171.1-162.8177.20.300111.7F300Q262-F300 VanDerWaalsContact OE1-CZ 3.29Å
263D54.2Low67.8Low81 Ų8185.7 Ų85.743%0.43344%0.435SS..EExtended strand (participates in β ladder)trans-65133.9165.7-68.1-21.5000109.2E261 T265 S266 K268E261-D263 PolarHBondContact O-N 3.21Å; D263-T265 PolarHBondContact O-N 3.45Å; D263-S266 PolarHBondContact O-N 2.87Å; D263-S266 VanDerWaalsContact O-N 3.17Å; D263-K268 IonicContact OD2-NZ 2.68Å; D263-K268 PolarHBondContact OD2-NZ 3.33Å
264E57.4Low68.9Low203 Ų20381.1 Ų81.195%0.94941%0.412SS*.THydrogen-bonded Turntrans-59.4-15.2-174.3-62.2-168.2132.900115
265T53.8Low69.1Low138 Ų13877.4 Ų77.485%0.84740%0.403SS*.THydrogen-bonded Turntrans-117-7.3-178.454.50000114.8D263D263-T265 PolarHBondContact O-N 3.45Å
266S55.5Low69.2Low40 Ų4077 Ų7728%0.2840%0.402SS..EExtended strand (participates in β ladder)trans-162.9120.1177.165.20000113.1D263 K268D263-S266 PolarHBondContact O-N 2.87Å; D263-S266 VanDerWaalsContact O-N 3.17Å; S266-K268 PolarHBondContact O-N 3.39Å; S266-K268 WeakPolarHBondContact OG-CE 3.49Å; S266-K268 PolarHBondContact OG-NZ 2.92Å
267K60.9Low68.9Low171 Ų17174.5 Ų74.574%0.74339%0.389SS*.EExtended strand (participates in β ladder)trans-68.9110.5165-68.4-176-179.4-174.50109.4I260I260-K267 HydrophobicContact CG2-CB 3.8Å; I260-K267 HydrophobicContact CG2-CD 4.33Å; I260-K267 HydrophobicContact CG2-CG 4.04Å
268K69.3Low68.7Low100 Ų10077 Ų7744%0.43540%0.4SS..EExtended strand (participates in β ladder)trans-110.9127.3175.2-62.5-176.5-169.488.20109.6E261 D263 S266E261-K268 PolarHBondContact N-O 3.2Å; D263-K268 IonicContact OD2-NZ 2.68Å; D263-K268 PolarHBondContact OD2-NZ 3.33Å; S266-K268 PolarHBondContact O-N 3.39Å; S266-K268 WeakPolarHBondContact OG-CE 3.49Å; S266-K268 PolarHBondContact OG-NZ 2.92Å
269P74.6Confident68.7Low58 Ų5877.2 Ų77.238%0.37740%0.402SS..EExtended strand (participates in β ladder)trans-75.8134.2169.630.7-32000109.8W259 S271W259-P269 CarbonylContact O-C 3.56Å; W259-P269 WeakPolarHBondContact O-CA 3.43Å; P269-S271 VanDerWaalsContact C-N 3.31Å; P269-S271 PolarHBondContact O-N 3.01Å; P269-S271 PolarHBondContact O-OG 2.92Å
270C76.3Confident68.7Low8 Ų877 Ų775%0.05440%0.402CS..  trans-71.583.2175.9-178.70000110.3C257 W259 K272 H283 H288C257-C270 CarbonylContact C-O 3.5Å; C257-C270 VanDerWaalsContact CB-O 3.27Å; C257-C270 WeakPolarHBondContact CB-O 3.37Å; W259-C270 HydrophobicContact CB-CB 4.43Å; W259-C270 PolarHBondContact O-N 3.41Å; C270-K272 PolarHBondContact O-N 3.4Å; C270-H283 PolarHBondContact SG-CE1 2.85Å; C270-H283 PolarHBondContact SG-NE2 3.46Å; C270-H288 VanDerWaalsContact CB-CE1 3.47Å; C270-H288 WeakPolarHBondContact CB-CE1 3.34Å; C270-H288 VanDerWaalsContact CB-NE2 3.35Å; C270-H288 WeakPolarHBondContact CB-NE2 3.33Å; C270-H288 PolarHBondContact SG-CE1 3.4Å; C270-H288 PolarHBondContact SG-NE2 3.44Å
271S74.4Confident68.6Low88 Ų8875.7 Ų75.762%0.61540%0.395SS*.  trans-72.129.5-173.1-53.30000115.4P269P269-S271 VanDerWaalsContact C-N 3.31Å; P269-S271 PolarHBondContact O-N 3.01Å; P269-S271 PolarHBondContact O-OG 2.92Å
272K78.7Confident68.9Low88 Ų8875.3 Ų75.338%0.38340%0.396SS..  trans-74129.8179.1-61.6-177.5-162.9-1750110.4C257 C270 Y274 E287C257-K272 PolarHBondContact N-O 2.67Å; C270-K272 PolarHBondContact O-N 3.4Å; K272-Y274 HydrophobicContact CB-CE2 3.6Å; K272-Y274 WeakPolarHBondContact CB-OH 3.16Å; K272-Y274 VanDerWaalsContact CD-OH 3.27Å; K272-Y274 WeakPolarHBondContact CD-OH 3.32Å; K272-E287 IonicContact NZ-OE1 2.76Å; K272-E287 IonicContact NZ-OE2 3.26Å; K272-E287 PolarHBondContact NZ-OE2 3.48Å
273T75.5Confident69.9Low82 Ų8269 Ų6950%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-95.4145.1176.843.50000111.7E254 I256E254-T273 HydrophobicContact CB-CG2 4.34Å; I256-T273 HydrophobicContact CG1-CG2 3.71Å
274Y77.4Confident71Confident45 Ų4565.2 Ų65.218%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-132148-178.6-66.7-72.4000113L255 C257 K272 E279 L280 H283L255-Y274 PolarHBondContact N-O 2.76Å; L255-Y274 VanDerWaalsContact N-O 3.13Å; L255-Y274 PolarHBondContact O-N 3.46Å; C257-Y274 HydrophobicContact CB-CE2 4.5Å; K272-Y274 HydrophobicContact CB-CE2 3.6Å; K272-Y274 WeakPolarHBondContact CB-OH 3.16Å; K272-Y274 VanDerWaalsContact CD-OH 3.27Å; K272-Y274 WeakPolarHBondContact CD-OH 3.32Å; Y274-E279 HydrophobicContact CD1-CB 3.51Å; Y274-E279 HydrophobicContact CE1-CB 4.34Å; Y274-E279 HydrophobicContact CG-CB 4.07Å; Y274-L280 HydrophobicContact CD2-CB 3.85Å; Y274-L280 HydrophobicContact CD2-CD1 3.75Å; Y274-L280 HydrophobicContact CD2-CG 4.38Å; Y274-L280 HydrophobicContact CE2-CD1 4.14Å; Y274-L280 HydrophobicContact CG-CB 4.02Å; Y274-H283 HydrophobicContact CE1-CB 4.1Å; Y274-H283 HydrophobicContact CE2-CB 4.05Å; Y274-H283 AromaticContact CE2-CD2 3.35Å; Y274-H283 WeakPolarHBondContact CE2-CD2 3.38Å; Y274-H283 AromaticContact CE2-CG 3.82Å; Y274-H283 AromaticContact CZ-CD2 3.59Å; Y274-H283 AromaticContact CZ-CG 3.54Å; Y274-H283 WeakPolarHBondContact OH-CB 3.44Å; Y274-H283 PolarHBondContact OH-CD2 3.29Å; Y274-H283 VanDerWaalsContact OH-CD2 3.3Å; Y274-H283 PolarHBondContact OH-ND1 3.29Å
275S66.8Low71.8Confident81 Ų8156.5 Ų56.557%0.56631%0.307SS*.SBendtrans-92-27.6-176.277.80000112.7E279S275-E279 WeakPolarHBondContact CA-OE2 3.37Å; S275-E279 WeakPolarHBondContact CB-OE2 3.47Å; S275-E279 PolarHBondContact N-OE2 2.92Å; S275-E279 PolarHBondContact OG-OE1 3.04Å; S275-E279 PolarHBondContact OG-OE2 2.79Å
276T72.3Confident72.8Confident17 Ų1754.8 Ų54.810%0.10430%0.296CS..SBendtrans-125.6153.817174.20000112.2H278 E279 L280T276-H278 PolarHBondContact O-N 3.48Å; T276-E279 WeakPolarHBondContact CB-OE1 3.24Å; T276-E279 VanDerWaalsContact CG2-OE1 3.23Å; T276-E279 WeakPolarHBondContact CG2-OE1 3.43Å; T276-E279 PolarHBondContact N-OE2 3.3Å; T276-E279 PolarHBondContact O-N 3.44Å; T276-E279 WeakPolarHBondContact OG1-CG 3.3Å; T276-E279 PolarHBondContact OG1-N 3.13Å; T276-E279 PolarHBondContact OG1-OE1 2.78Å; T276-L280 PolarHBondContact O-N 3.4Å
277M66.4Low73.6Confident36 Ų3658.1 Ų58.118%0.17731%0.307CS..Hα-helixtrans-61.5-26.6176.9-164.460.571.400112.7I251 L255 L280 V281 T325 E327I251-M277 HydrophobicContact CD1-CE 4.31Å; L255-M277 HydrophobicContact CD1-CB 4.17Å; L255-M277 HydrophobicContact CD1-CE 3.62Å; L255-M277 HydrophobicContact CD1-SD 3.89Å; L255-M277 HydrophobicContact CD2-CE 3.73Å; L255-M277 HydrophobicContact CG-CE 4.35Å; M277-L280 HydrophobicContact SD-CD2 4.42Å; M277-V281 WeakPolarHBondContact O-CG2 3.48Å; M277-V281 PolarHBondContact O-N 2.96Å; M277-T325 WeakPolarHBondContact CE-O 3.42Å; M277-E327 HydrophobicContact CG-CB 3.82Å; M277-E327 HydrophobicContact CG-CG 3.87Å
278H72.4Confident74.2Confident54 Ų5451 Ų5125%0.2528%0.276CS..Hα-helixtrans-72.1-40.4178-172.944.6000112M247 T276 V281 N282M247-H278 HydrophobicContact CE-CB 4Å; T276-H278 PolarHBondContact O-N 3.48Å; H278-V281 PolarHBondContact O-N 3.03Å; H278-N282 PolarHBondContact CD2-ND2 3.33Å; H278-N282 PolarHBondContact CE1-ND2 3.49Å; H278-N282 PolarHBondContact CE1-OD1 2.99Å; H278-N282 PolarHBondContact ND1-OD1 3.01Å; H278-N282 PolarHBondContact NE2-ND2 3.44Å; H278-N282 WeakPolarHBondContact O-CB 3.42Å; H278-N282 PolarHBondContact O-N 3.04Å; H278-N282 PolarHBondContact O-ND2 3.43Å; H278-N282 PolarHBondContact O-OD1 3.4Å
279E75.8Confident74.2Confident70 Ų7046.3 Ų46.333%0.32726%0.256SS..Hα-helixtrans-60.5-48175.5-69.6138.4-137.600111.5Y274 S275 T276 V281 N282 H283Y274-E279 HydrophobicContact CD1-CB 3.51Å; Y274-E279 HydrophobicContact CE1-CB 4.34Å; Y274-E279 HydrophobicContact CG-CB 4.07Å; S275-E279 WeakPolarHBondContact CA-OE2 3.37Å; S275-E279 WeakPolarHBondContact CB-OE2 3.47Å; S275-E279 PolarHBondContact N-OE2 2.92Å; S275-E279 PolarHBondContact OG-OE1 3.04Å; S275-E279 PolarHBondContact OG-OE2 2.79Å; T276-E279 WeakPolarHBondContact CB-OE1 3.24Å; T276-E279 VanDerWaalsContact CG2-OE1 3.23Å; T276-E279 WeakPolarHBondContact CG2-OE1 3.43Å; T276-E279 PolarHBondContact N-OE2 3.3Å; T276-E279 PolarHBondContact O-N 3.44Å; T276-E279 WeakPolarHBondContact OG1-CG 3.3Å; T276-E279 PolarHBondContact OG1-N 3.13Å; T276-E279 PolarHBondContact OG1-OE1 2.78Å; E279-V281 PolarHBondContact O-N 3.18Å; E279-N282 PolarHBondContact O-N 3.43Å; E279-H283 WeakPolarHBondContact O-CB 3.35Å; E279-H283 PolarHBondContact O-N 2.84Å
280L77.3Confident73.6Confident4 Ų444.6 Ų44.62%0.02125%0.249CC..Hα-helixtrans-58.2-47.6177.217359.5000111.6L255 C257 Y274 T276 M277 H283 V284 T325L255-L280 HydrophobicContact CB-CD2 4.07Å; C257-L280 HydrophobicContact CB-CD1 3.61Å; Y274-L280 HydrophobicContact CD2-CB 3.85Å; Y274-L280 HydrophobicContact CD2-CD1 3.75Å; Y274-L280 HydrophobicContact CD2-CG 4.38Å; Y274-L280 HydrophobicContact CE2-CD1 4.14Å; Y274-L280 HydrophobicContact CG-CB 4.02Å; T276-L280 PolarHBondContact O-N 3.4Å; M277-L280 HydrophobicContact SD-CD2 4.42Å; L280-H283 PolarHBondContact O-N 2.8Å; L280-V284 HydrophobicContact CD1-CG2 3.96Å; L280-V284 WeakPolarHBondContact O-CG2 3.36Å; L280-V284 PolarHBondContact O-N 3.33Å; L280-T325 HydrophobicContact CD2-CG2 3.78Å; L280-T325 HydrophobicContact CG-CG2 4.12Å
281V72.1Confident72.4Confident6 Ų646.2 Ų46.24%0.03627%0.267CS..Hα-helixtrans-67.5-37.7-179.9172.70000111.4M277 H278 E279 T285 T325 E327M277-V281 WeakPolarHBondContact O-CG2 3.48Å; M277-V281 PolarHBondContact O-N 2.96Å; H278-V281 PolarHBondContact O-N 3.03Å; E279-V281 PolarHBondContact O-N 3.18Å; V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.32Å; V281-T285 VanDerWaalsContact O-CG2 3.24Å; V281-T285 WeakPolarHBondContact O-CG2 3.32Å; V281-T285 PolarHBondContact O-N 2.85Å; V281-T285 PolarHBondContact O-OG1 2.93Å; V281-T325 HydrophobicContact CG2-CG2 4.1Å; V281-E327 HydrophobicContact CG2-CB 4.24Å; V281-E327 HydrophobicContact CG2-CG 4.4Å
282N76.3Confident71.3Confident68 Ų6847.9 Ų47.936%0.36428%0.276SS..Hα-helixtrans-64.2-47.8175-72.1-9.9000111H278 E279 T285 V286H278-N282 PolarHBondContact CD2-ND2 3.33Å; H278-N282 PolarHBondContact CE1-ND2 3.49Å; H278-N282 PolarHBondContact CE1-OD1 2.99Å; H278-N282 PolarHBondContact ND1-OD1 3.01Å; H278-N282 PolarHBondContact NE2-ND2 3.44Å; H278-N282 WeakPolarHBondContact O-CB 3.42Å; H278-N282 PolarHBondContact O-N 3.04Å; H278-N282 PolarHBondContact O-ND2 3.43Å; H278-N282 PolarHBondContact O-OD1 3.4Å; E279-N282 PolarHBondContact O-N 3.43Å; N282-T285 PolarHBondContact O-N 2.88Å; N282-T285 PolarHBondContact O-OG1 3.48Å; N282-V286 WeakPolarHBondContact O-CB 3.48Å; N282-V286 VanDerWaalsContact O-CG2 3.27Å; N282-V286 WeakPolarHBondContact O-CG2 3.42Å; N282-V286 PolarHBondContact O-N 3.49Å
283H81.6Confident69.9Low12 Ų1252.4 Ų52.46%0.05630%0.298CS..Hα-helixtrans-56-54.1176.5153.858.2000111.4C270 Y274 E279 L280 T285 V286 E287 H288C270-H283 PolarHBondContact SG-CE1 2.85Å; C270-H283 PolarHBondContact SG-NE2 3.46Å; Y274-H283 HydrophobicContact CE1-CB 4.1Å; Y274-H283 HydrophobicContact CE2-CB 4.05Å; Y274-H283 AromaticContact CE2-CD2 3.35Å; Y274-H283 WeakPolarHBondContact CE2-CD2 3.38Å; Y274-H283 AromaticContact CE2-CG 3.82Å; Y274-H283 AromaticContact CZ-CD2 3.59Å; Y274-H283 AromaticContact CZ-CG 3.54Å; Y274-H283 WeakPolarHBondContact OH-CB 3.44Å; Y274-H283 PolarHBondContact OH-CD2 3.29Å; Y274-H283 VanDerWaalsContact OH-CD2 3.3Å; Y274-H283 PolarHBondContact OH-ND1 3.29Å; E279-H283 WeakPolarHBondContact O-CB 3.35Å; E279-H283 PolarHBondContact O-N 2.84Å; L280-H283 PolarHBondContact O-N 2.8Å; H283-T285 VanDerWaalsContact C-N 3.29Å; H283-T285 PolarHBondContact O-N 2.68Å; H283-V286 PolarHBondContact O-N 3.43Å; H283-E287 IonicContact CE1-OE2 3.09Å; H283-E287 PolarHBondContact CE1-OE2 3.04Å; H283-E287 IonicContact CG-OE2 3.33Å; H283-E287 IonicContact ND1-OE2 3.31Å; H283-E287 PolarHBondContact ND1-OE2 3.02Å; H283-E287 WeakPolarHBondContact O-CB 3.5Å; H283-E287 PolarHBondContact O-N 3Å; H283-H288 AromaticContact CE1-CD2 3.85Å; H283-H288 AromaticContact CE1-CE1 3.71Å; H283-H288 AromaticContact CE1-NE2 3.2Å; H283-H288 PolarHBondContact CE1-NE2 3.09Å; H283-H288 AromaticContact NE2-CD2 3.76Å; H283-H288 AromaticContact NE2-NE2 3.13Å; H283-H288 PolarHBondContact NE2-NE2 3.04Å; H283-H288 VanDerWaalsContact NE2-NE2 3.13Å
284V75.8Confident68.9Low0 Ų053 Ų530%030%0.296CS..Iπ-helixtrans-60.1-40.4-179.2177.50000111.2W259 L280 H288 V289 W301 I321W259-V284 HydrophobicContact CD2-CG1 4.4Å; W259-V284 HydrophobicContact CE3-CG1 3.58Å; W259-V284 HydrophobicContact CZ3-CG1 3.75Å; L280-V284 HydrophobicContact CD1-CG2 3.96Å; L280-V284 WeakPolarHBondContact O-CG2 3.36Å; L280-V284 PolarHBondContact O-N 3.33Å; V284-H288 PolarHBondContact O-N 3.25Å; V284-V289 WeakPolarHBondContact O-CG2 3.21Å; V284-V289 PolarHBondContact O-N 3.35Å; V284-W301 HydrophobicContact CG2-CZ3 4.31Å; V284-I321 HydrophobicContact CG1-CD1 3.75Å; V284-I321 HydrophobicContact CG1-CG1 4.32Å; V284-I321 HydrophobicContact CG1-CG2 4.12Å
285T74.1Confident67.8Low21 Ų2156 Ų5613%0.12933%0.329CS..Iπ-helixtrans-83.2-14.8-174.159.30000115.3V281 N282 H283 K314 I318 I321V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.32Å; V281-T285 VanDerWaalsContact O-CG2 3.24Å; V281-T285 WeakPolarHBondContact O-CG2 3.32Å; V281-T285 PolarHBondContact O-N 2.85Å; V281-T285 PolarHBondContact O-OG1 2.93Å; N282-T285 PolarHBondContact O-N 2.88Å; N282-T285 PolarHBondContact O-OG1 3.48Å; H283-T285 VanDerWaalsContact C-N 3.29Å; H283-T285 PolarHBondContact O-N 2.68Å; T285-K314 PolarHBondContact O-NZ 3.41Å; T285-I318 HydrophobicContact CG2-CB 4.41Å; T285-I318 HydrophobicContact CG2-CD1 4.32Å; T285-I318 HydrophobicContact CG2-CG1 3.74Å; T285-I318 HydrophobicContact CG2-CG2 4.18Å; T285-I321 HydrophobicContact CG2-CD1 4.34Å
286V75.3Confident67.7Low102 Ų10255.4 Ų55.462%0.61833%0.325SS*.Iπ-helixtrans-95.4-49.8172.8173.10000111.3N282 H283 G290N282-V286 WeakPolarHBondContact O-CB 3.48Å; N282-V286 VanDerWaalsContact O-CG2 3.27Å; N282-V286 WeakPolarHBondContact O-CG2 3.42Å; N282-V286 PolarHBondContact O-N 3.49Å; H283-V286 PolarHBondContact O-N 3.43Å; V286-G290 VanDerWaalsContact O-CA 3.3Å; V286-G290 WeakPolarHBondContact O-CA 3.32Å
287E72.4Confident67.7Low110 Ų11055.6 Ų55.651%0.51433%0.325SS..Iπ-helixtrans-91-42.6-167.8-55.9-160.3130.500113K272 H283K272-E287 IonicContact NZ-OE1 2.76Å; K272-E287 IonicContact NZ-OE2 3.26Å; K272-E287 PolarHBondContact NZ-OE2 3.48Å; H283-E287 IonicContact CE1-OE2 3.09Å; H283-E287 PolarHBondContact CE1-OE2 3.04Å; H283-E287 IonicContact CG-OE2 3.33Å; H283-E287 IonicContact ND1-OE2 3.31Å; H283-E287 PolarHBondContact ND1-OE2 3.02Å; H283-E287 WeakPolarHBondContact O-CB 3.5Å; H283-E287 PolarHBondContact O-N 3Å
288H73.2Confident67.9Low20 Ų2054.9 Ų54.99%0.09332%0.323CS..Iπ-helixtrans-91.4-31.6-179.9-56.9-44.2000113.5W259 E261 C270 H283 V284 G290W259-H288 VanDerWaalsContact CB-CD2 3.42Å; W259-H288 WeakPolarHBondContact CB-CD2 3.44Å; W259-H288 AromaticContact CD1-CD2 3.71Å; W259-H288 AromaticContact CD1-CG 3.49Å; W259-H288 VanDerWaalsContact CD1-CG 3.49Å; W259-H288 AromaticContact CD1-ND1 3.77Å; W259-H288 HydrophobicContact CD2-CB 3.78Å; W259-H288 AromaticContact CD2-CD2 3.92Å; W259-H288 AromaticContact CD2-CG 4Å; W259-H288 HydrophobicContact CE3-CB 4.47Å; W259-H288 HydrophobicContact CG-CB 3.91Å; W259-H288 AromaticContact CG-CD2 3.37Å; W259-H288 AromaticContact CG-CG 3.59Å; W259-H288 AromaticContact CG-NE2 3.9Å; W259-H288 HydrophobicContact CZ2-CB 4.09Å; W259-H288 AromaticContact NE1-CG 3.86Å; E261-H288 IonicContact OE1-CE1 2.86Å; E261-H288 PolarHBondContact OE1-CE1 2.94Å; E261-H288 IonicContact OE1-ND1 2.67Å; E261-H288 PolarHBondContact OE1-ND1 3.28Å; C270-H288 VanDerWaalsContact CB-CE1 3.47Å; C270-H288 WeakPolarHBondContact CB-CE1 3.34Å; C270-H288 VanDerWaalsContact CB-NE2 3.35Å; C270-H288 WeakPolarHBondContact CB-NE2 3.33Å; C270-H288 PolarHBondContact SG-CE1 3.4Å; C270-H288 PolarHBondContact SG-NE2 3.44Å; H283-H288 AromaticContact CE1-CD2 3.85Å; H283-H288 AromaticContact CE1-CE1 3.71Å; H283-H288 AromaticContact CE1-NE2 3.2Å; H283-H288 PolarHBondContact CE1-NE2 3.09Å; H283-H288 AromaticContact NE2-CD2 3.76Å; H283-H288 AromaticContact NE2-NE2 3.13Å; H283-H288 PolarHBondContact NE2-NE2 3.04Å; H283-H288 VanDerWaalsContact NE2-NE2 3.13Å; V284-H288 PolarHBondContact O-N 3.25Å; H288-G290 VanDerWaalsContact C-N 3.31Å
289V69.9Low68.1Low2 Ų252.3 Ų52.31%0.01231%0.311CS..SBendtrans-99.335.1174.2-164.40000110.5W259 V284 K314 L317 I321W259-V289 HydrophobicContact CH2-CG2 4.04Å; V284-V289 WeakPolarHBondContact O-CG2 3.21Å; V284-V289 PolarHBondContact O-N 3.35Å; V289-K314 HydrophobicContact CG1-CD 4.07Å; V289-K314 HydrophobicContact CG1-CG 3.98Å; V289-K314 WeakPolarHBondContact O-CE 3.27Å; V289-K314 PolarHBondContact O-NZ 3.18Å; V289-L317 HydrophobicContact CB-CD2 4.44Å; V289-L317 HydrophobicContact CG1-CD2 3.71Å; V289-L317 HydrophobicContact CG2-CD2 3.75Å; V289-L317 HydrophobicContact CG2-CG 4.37Å; V289-I321 HydrophobicContact CG2-CD1 3.97Å
290G60.8Low67.8Low22 Ų2251.6 Ų51.623%0.22731%0.307CS..  trans-62.2148.1-173.700000114.7V286 H288V286-G290 VanDerWaalsContact O-CA 3.3Å; V286-G290 WeakPolarHBondContact O-CA 3.32Å; H288-G290 VanDerWaalsContact C-N 3.31Å
291G52.5Low67.7Low42 Ų4252.1 Ų52.143%0.43331%0.308SS..  trans76.6157.9173.400000116.4
292P50.4Low67.4Low124 Ų12455.8 Ų55.881%0.80533%0.325SS*.SBendtrans-88-9.9167.334.5-32.2000113.2
293E50.3Low67Low183 Ų18359 Ų5986%0.85534%0.338SS*.  trans-90.3-10.3-166.6-56.9-177.8146.900114.1A295E293-A295 PolarHBondContact O-N 3.35Å
294Q54.8Low66.7Low95 Ų9559 Ų5944%0.44434%0.339SS..  trans-72.997.8175.4-66.5-173.42.200110.9S296 H297Q294-S296 PolarHBondContact O-N 3.04Å; Q294-H297 PolarHBondContact O-CE1 2.88Å; Q294-H297 PolarHBondContact O-ND1 3.5Å
295A54.4Low66.2Low107 Ų10763.5 Ų63.588%0.88437%0.368SS*.SBendtrans-60.7-15.4178.600000114.6E293E293-A295 PolarHBondContact O-N 3.35Å
296S64.1Low65.6Low68 Ų6868.5 Ų68.548%0.47639%0.385SS..  trans-125.4114.3173.868.10000110.9Q294 V298Q294-S296 PolarHBondContact O-N 3.04Å; S296-V298 PolarHBondContact O-N 3.25Å
297H71.3Confident64.7Low21 Ų2167 Ų6710%0.09737%0.371CS..BIsolated β-bridgetrans-95.193.4177.5-51.4-66.2000109.4Q294 F311 K314 L317Q294-H297 PolarHBondContact O-CE1 2.88Å; Q294-H297 PolarHBondContact O-ND1 3.5Å; H297-F311 HydrophobicContact CB-CB 4.39Å; H297-F311 PolarHBondContact CD2-O 3.23Å; H297-F311 WeakPolarHBondContact O-CB 3.37Å; H297-F311 WeakPolarHBondContact O-CD2 3.33Å; H297-F311 PolarHBondContact O-N 2.97Å; H297-K314 PolarHBondContact CD2-N 3.26Å; H297-K314 PolarHBondContact NE2-N 3.35Å; H297-L317 HydrophobicContact CB-CB 4.14Å; H297-L317 HydrophobicContact CB-CD2 3.75Å
298V70.9Confident63.9Low22 Ų2264.5 Ų64.513%0.13337%0.374CS..  trans-90.3152.2-177.7-177.20000110.8W259 S296 F300 A310 L317W259-V298 WeakPolarHBondContact CH2-O 3.23Å; S296-V298 PolarHBondContact O-N 3.25Å; V298-F300 HydrophobicContact CB-CD2 4.39Å; V298-F300 HydrophobicContact CB-CE1 4.25Å; V298-F300 HydrophobicContact CB-CE2 3.74Å; V298-F300 HydrophobicContact CB-CZ 3.67Å; V298-F300 HydrophobicContact CG1-CD1 3.98Å; V298-F300 HydrophobicContact CG1-CD2 4.3Å; V298-F300 HydrophobicContact CG1-CE1 3.53Å; V298-F300 HydrophobicContact CG1-CE2 3.89Å; V298-F300 HydrophobicContact CG1-CG 4.36Å; V298-F300 HydrophobicContact CG1-CZ 3.49Å; V298-F300 VanDerWaalsContact CG1-CZ 3.49Å; V298-F300 HydrophobicContact CG2-CZ 4.37Å; V298-A310 HydrophobicContact CG2-CB 4.03Å; V298-L317 VanDerWaalsContact O-CD2 3.23Å; V298-L317 WeakPolarHBondContact O-CD2 3.45Å
299C76.6Confident63.4Low0 Ų070.2 Ų70.20%040%0.399CS..  trans-98.7131.9165.9-163.70000108.9E307 F311 L317C299-E307 VanDerWaalsContact O-OE1 3.11Å; C299-F311 HydrophobicContact CB-CE2 4.32Å; C299-L317 HydrophobicContact CB-CD1 3.69Å
300F68.8Low63.3Low55 Ų5573 Ų7324%0.24142%0.422CS..  trans-126.462.6177.6-59.2-70.7000109.3W259 I260 Q262 V298 E307W259-F300 CarbonylContact C-O 3.58Å; W259-F300 WeakPolarHBondContact CA-O 3.44Å; W259-F300 HydrophobicContact CZ2-CB 4.2Å; W259-F300 AromaticContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CD2 3.82Å; W259-F300 HydrophobicContact CZ2-CG 4.47Å; W259-F300 AromaticContact NE1-CD2 3.97Å; I260-F300 HydrophobicContact CB-CB 4.37Å; I260-F300 PolarHBondContact N-O 3.01Å; I260-F300 WeakPolarHBondContact O-CB 3.32Å; Q262-F300 VanDerWaalsContact OE1-CZ 3.29Å; V298-F300 HydrophobicContact CB-CD2 4.39Å; V298-F300 HydrophobicContact CB-CE1 4.25Å; V298-F300 HydrophobicContact CB-CE2 3.74Å; V298-F300 HydrophobicContact CB-CZ 3.67Å; V298-F300 HydrophobicContact CG1-CD1 3.98Å; V298-F300 HydrophobicContact CG1-CD2 4.3Å; V298-F300 HydrophobicContact CG1-CE1 3.53Å; V298-F300 HydrophobicContact CG1-CE2 3.89Å; V298-F300 HydrophobicContact CG1-CG 4.36Å; V298-F300 HydrophobicContact CG1-CZ 3.49Å; V298-F300 VanDerWaalsContact CG1-CZ 3.49Å; V298-F300 HydrophobicContact CG2-CZ 4.37Å; F300-E307 WeakPolarHBondContact CA-OE1 3.43Å; F300-E307 WeakPolarHBondContact CA-OE2 2.93Å
301W76.2Confident63.8Low14 Ų1473.1 Ų73.15%0.05342%0.416CS..BIsolated β-bridgetrans-111.4124.3-178-170.1-75.5000109K258 W259 V284 E303 C304 E307 H324 T325K258-W301 HydrophobicContact CB-CD2 4.14Å; K258-W301 HydrophobicContact CB-CH2 4.41Å; K258-W301 HydrophobicContact CB-CZ2 3.8Å; K258-W301 WeakPolarHBondContact O-CA 3.43Å; W259-W301 HydrophobicContact CE3-CE3 4.22Å; V284-W301 HydrophobicContact CG2-CZ3 4.31Å; W301-E303 PolarHBondContact O-N 2.9Å; W301-C304 HydrophobicContact CB-CB 4.26Å; W301-C304 VanDerWaalsContact O-CB 3.24Å; W301-C304 WeakPolarHBondContact O-CB 3.42Å; W301-C304 PolarHBondContact O-N 3.12Å; W301-E307 PolarHBondContact N-OE1 3.09Å; W301-E307 VanDerWaalsContact O-OE1 3.11Å; W301-H324 AromaticContact CD1-CE1 3.34Å; W301-H324 AromaticContact CD1-CG 3.69Å; W301-H324 AromaticContact CD1-ND1 3.47Å; W301-H324 HydrophobicContact CD2-CB 3.82Å; W301-H324 AromaticContact CD2-CG 3.88Å; W301-H324 AromaticContact CE2-CG 3.98Å; W301-H324 HydrophobicContact CE3-CB 4.38Å; W301-H324 HydrophobicContact CG-CB 4.16Å; W301-H324 AromaticContact CG-CD2 3.92Å; W301-H324 AromaticContact CG-CG 3.71Å; W301-H324 AromaticContact CG-ND1 3.86Å; W301-H324 HydrophobicContact CH2-CB 4.47Å; W301-H324 HydrophobicContact CZ2-CB 3.9Å; W301-H324 AromaticContact NE1-CE1 3.53Å; W301-H324 AromaticContact NE1-CG 3.85Å; W301-H324 AromaticContact NE1-ND1 3.84Å; W301-T325 HydrophobicContact CH2-CG2 4.34Å
302E65.6Low64.8Low84 Ų8481.6 Ų81.639%0.39344%0.441SS..THydrogen-bonded Turntrans-42.6-33.7-162.4-68.5179.914300117K258 I260K258-E302 HydrophobicContact CB-CG 4.22Å; K258-E302 WeakPolarHBondContact CG-OE2 3.1Å; K258-E302 IonicContact NZ-OE2 2.72Å; K258-E302 PolarHBondContact NZ-OE2 3.2Å; K258-E302 PolarHBondContact O-N 3.21Å; K258-E302 VanDerWaalsContact O-N 3.15Å; I260-E302 HydrophobicContact CD1-CG 4.09Å; I260-E302 HydrophobicContact CG1-CG 3.93Å
303E69Low66Low135 Ų13576.9 Ų76.963%0.63141%0.413SS*.THydrogen-bonded Turntrans-11421.2-174.5-65164.1-125.500113.2K258 W301 P305K258-E303 IonicContact NZ-OE1 3.49Å; K258-E303 PolarHBondContact NZ-OE1 3.29Å; W301-E303 PolarHBondContact O-N 2.9Å; E303-P305 WeakPolarHBondContact O-CD 3.42Å
304C74.9Confident67Low12 Ų1271.2 Ų71.28%0.08139%0.385CS..  trans-80128.2-171.9-169.20000114.2W301 R306 E307 H320 H324W301-C304 HydrophobicContact CB-CB 4.26Å; W301-C304 VanDerWaalsContact O-CB 3.24Å; W301-C304 WeakPolarHBondContact O-CB 3.42Å; W301-C304 PolarHBondContact O-N 3.12Å; C304-R306 PolarHBondContact O-N 2.92Å; C304-R306 PolarHBondContact SG-N 3.04Å; C304-E307 HydrophobicContact CB-CG 4.05Å; C304-E307 VanDerWaalsContact CB-OE1 3.27Å; C304-E307 WeakPolarHBondContact CB-OE1 2.95Å; C304-E307 PolarHBondContact O-N 3.14Å; C304-H320 PolarHBondContact SG-CE1 3.03Å; C304-H320 PolarHBondContact SG-NE2 3.04Å; C304-H324 WeakPolarHBondContact CA-NE2 3Å; C304-H324 WeakPolarHBondContact CB-NE2 3.37Å; C304-H324 PolarHBondContact SG-NE2 2.82Å
305P65.5Low67.9Low94 Ų9473 Ų7361%0.6139%0.389SS*.THydrogen-bonded Turntrans-66.914.5168.6-20.434.2000115.1E303E303-P305 WeakPolarHBondContact O-CD 3.42Å
306R61Low69Low126 Ų12673 Ų7348%0.47537%0.369SS..THydrogen-bonded Turntrans-139.315-178.8-59.6-175.3173.8-136.1-2.5113.6C304 G308 K309 F311C304-R306 PolarHBondContact O-N 2.92Å; C304-R306 PolarHBondContact SG-N 3.04Å; R306-G308 PolarHBondContact O-N 3.2Å; R306-K309 HydrophobicContact CB-CB 4.43Å; R306-K309 WeakPolarHBondContact O-CB 3.27Å; R306-K309 PolarHBondContact O-N 3.46Å; R306-F311 VanDerWaalsContact NH1-CE1 3.31Å
307E56.3Low69.6Low72 Ų7269.8 Ų69.834%0.33635%0.347SS..THydrogen-bonded Turntrans-46.8130.8174.5-73.2-57.892.300111C299 F300 W301 C304 K309C299-E307 VanDerWaalsContact O-OE1 3.11Å; F300-E307 WeakPolarHBondContact CA-OE1 3.43Å; F300-E307 WeakPolarHBondContact CA-OE2 2.93Å; W301-E307 PolarHBondContact N-OE1 3.09Å; W301-E307 VanDerWaalsContact O-OE1 3.11Å; C304-E307 HydrophobicContact CB-CG 4.05Å; C304-E307 VanDerWaalsContact CB-OE1 3.27Å; C304-E307 WeakPolarHBondContact CB-OE1 2.95Å; C304-E307 PolarHBondContact O-N 3.14Å; E307-K309 VanDerWaalsContact C-N 3.31Å; E307-K309 PolarHBondContact O-N 3.01Å
308G55.4Low69.7Low56 Ų5670.8 Ų70.858%0.57735%0.352SS*.THydrogen-bonded Turntrans76.9-2.7-177.600000116.8R306R306-G308 PolarHBondContact O-N 3.2Å
309K61.8Low70Confident141 Ų14172 Ų7261%0.61336%0.358SS*.  trans-92.5107.5179.8-68-178.6179.4171.80112.1R306 E307 F311R306-K309 HydrophobicContact CB-CB 4.43Å; R306-K309 WeakPolarHBondContact O-CB 3.27Å; R306-K309 PolarHBondContact O-N 3.46Å; E307-K309 VanDerWaalsContact C-N 3.31Å; E307-K309 PolarHBondContact O-N 3.01Å; K309-F311 WeakPolarHBondContact O-CD2 3.36Å
310A68.7Low70.2Confident61 Ų6172.8 Ų72.850%0.50436%0.362SS..  trans-62.7135.1177.200000113.2V298V298-A310 HydrophobicContact CG2-CB 4.03Å
311F71.2Confident70.4Confident23 Ų2370.2 Ų70.210%0.10135%0.35CS..BIsolated β-bridgetrans-94.6129.1171.4-70.4-101.1000110H297 C299 R306 K309 A313 K316 L317 H320H297-F311 HydrophobicContact CB-CB 4.39Å; H297-F311 PolarHBondContact CD2-O 3.23Å; H297-F311 WeakPolarHBondContact O-CB 3.37Å; H297-F311 WeakPolarHBondContact O-CD2 3.33Å; H297-F311 PolarHBondContact O-N 2.97Å; C299-F311 HydrophobicContact CB-CE2 4.32Å; R306-F311 VanDerWaalsContact NH1-CE1 3.31Å; K309-F311 WeakPolarHBondContact O-CD2 3.36Å; F311-A313 PolarHBondContact O-N 2.04Å; F311-K316 HydrophobicContact CB-CB 4.23Å; F311-K316 HydrophobicContact CD1-CB 3.77Å; F311-K316 HydrophobicContact CG-CB 4.44Å; F311-L317 HydrophobicContact CB-CB 4.25Å; F311-L317 HydrophobicContact CD2-CB 4.3Å; F311-L317 HydrophobicContact CD2-CD1 4.02Å; F311-L317 HydrophobicContact CE2-CD1 4.13Å; F311-L317 HydrophobicContact CG-CB 4.24Å; F311-H320 HydrophobicContact CE1-CB 3.87Å; F311-H320 HydrophobicContact CE2-CB 4.48Å; F311-H320 AromaticContact CE2-CD2 3.34Å; F311-H320 WeakPolarHBondContact CE2-CD2 3.2Å; F311-H320 HydrophobicContact CZ-CB 3.71Å; F311-H320 AromaticContact CZ-CD2 3.07Å; F311-H320 WeakPolarHBondContact CZ-CD2 3.24Å; F311-H320 AromaticContact CZ-CG 3.47Å; F311-H320 VanDerWaalsContact CZ-CG 3.47Å; F311-H320 AromaticContact CZ-NE2 3.82Å
312K73.1Confident70.6Confident220 Ų22071.4 Ų71.496%0.95736%0.355SS*.SBendtrans-60.9-2.2-180-62.6-165.5176.7-169.70116
313A76.1Confident71.1Confident25 Ų2572.5 Ų72.521%0.20737%0.367CS..SBendtrans-164.2141.3176.400000112.7F311 Y315 K316 L317F311-A313 PolarHBondContact O-N 2.04Å; A313-Y315 VanDerWaalsContact C-N 3.27Å; A313-Y315 HydrophobicContact CB-CD1 3.59Å; A313-Y315 HydrophobicContact CB-CE1 3.5Å; A313-Y315 PolarHBondContact O-N 3.29Å; A313-Y315 VanDerWaalsContact O-N 3.15Å; A313-K316 HydrophobicContact CB-CG 4.34Å; A313-K316 WeakPolarHBondContact O-CB 3.43Å; A313-K316 PolarHBondContact O-N 3.26Å; A313-L317 PolarHBondContact O-N 3.3Å
314K72.3Confident71.4Confident64 Ų6468.7 Ų68.728%0.27835%0.349SS..Hα-helixtrans-50.4-43.1-177.9-179.7160.8177.4164.50112.9T285 V289 H297 K316 L317 I318T285-K314 PolarHBondContact O-NZ 3.41Å; V289-K314 HydrophobicContact CG1-CD 4.07Å; V289-K314 HydrophobicContact CG1-CG 3.98Å; V289-K314 WeakPolarHBondContact O-CE 3.27Å; V289-K314 PolarHBondContact O-NZ 3.18Å; H297-K314 PolarHBondContact CD2-N 3.26Å; H297-K314 PolarHBondContact NE2-N 3.35Å; K314-K316 PolarHBondContact O-N 2.84Å; K314-L317 PolarHBondContact O-N 3.47Å; K314-L317 VanDerWaalsContact O-N 3.13Å; K314-I318 HydrophobicContact CG-CD1 3.86Å; K314-I318 HydrophobicContact CG-CG1 4.29Å; K314-I318 WeakPolarHBondContact O-CG1 3.07Å; K314-I318 PolarHBondContact O-N 3.39Å
315Y73.6Confident71.2Confident134 Ų13468.8 Ų68.853%0.52535%0.35SS..Hα-helixtrans-63.3-25.8178.982.5-89.6000113.9A313 N319A313-Y315 VanDerWaalsContact C-N 3.27Å; A313-Y315 HydrophobicContact CB-CD1 3.59Å; A313-Y315 HydrophobicContact CB-CE1 3.5Å; A313-Y315 PolarHBondContact O-N 3.29Å; A313-Y315 VanDerWaalsContact O-N 3.15Å; Y315-N319 WeakPolarHBondContact O-CB 3.46Å; Y315-N319 PolarHBondContact O-N 2.87Å; Y315-N319 VanDerWaalsContact O-N 3.12Å; Y315-N319 PolarHBondContact O-ND2 3.18Å
316K77.2Confident71.5Confident105 Ų10566 Ų6646%0.45734%0.337SS..Hα-helixtrans-73.5-40.6174.6-60.7-68.6-158-151.10110.9F311 A313 K314 N319 H320F311-K316 HydrophobicContact CB-CB 4.23Å; F311-K316 HydrophobicContact CD1-CB 3.77Å; F311-K316 HydrophobicContact CG-CB 4.44Å; A313-K316 HydrophobicContact CB-CG 4.34Å; A313-K316 WeakPolarHBondContact O-CB 3.43Å; A313-K316 PolarHBondContact O-N 3.26Å; K314-K316 PolarHBondContact O-N 2.84Å; K316-N319 PolarHBondContact O-N 2.9Å; K316-H320 WeakPolarHBondContact O-CB 3.44Å; K316-H320 PolarHBondContact O-N 3.35Å
317L75.3Confident72.1Confident2 Ų260.4 Ų60.41%0.0132%0.317CS..Hα-helixtrans-64.5-45173.7177.158.8000111.2W259 V289 H297 V298 C299 F311 A313 K314 N319 H320 I321W259-L317 HydrophobicContact CH2-CD1 4.49Å; W259-L317 HydrophobicContact CH2-CD2 4.36Å; V289-L317 HydrophobicContact CB-CD2 4.44Å; V289-L317 HydrophobicContact CG1-CD2 3.71Å; V289-L317 HydrophobicContact CG2-CD2 3.75Å; V289-L317 HydrophobicContact CG2-CG 4.37Å; H297-L317 HydrophobicContact CB-CB 4.14Å; H297-L317 HydrophobicContact CB-CD2 3.75Å; V298-L317 VanDerWaalsContact O-CD2 3.23Å; V298-L317 WeakPolarHBondContact O-CD2 3.45Å; C299-L317 HydrophobicContact CB-CD1 3.69Å; F311-L317 HydrophobicContact CB-CB 4.25Å; F311-L317 HydrophobicContact CD2-CB 4.3Å; F311-L317 HydrophobicContact CD2-CD1 4.02Å; F311-L317 HydrophobicContact CE2-CD1 4.13Å; F311-L317 HydrophobicContact CG-CB 4.24Å; A313-L317 PolarHBondContact O-N 3.3Å; K314-L317 PolarHBondContact O-N 3.47Å; K314-L317 VanDerWaalsContact O-N 3.13Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 2.83Å; L317-H320 CarbonylContact O-C 3.54Å; L317-H320 WeakPolarHBondContact O-CA 3.23Å; L317-H320 WeakPolarHBondContact O-CB 3.34Å; L317-H320 PolarHBondContact O-N 2.65Å; L317-I321 HydrophobicContact CD1-CD1 4.16Å; L317-I321 HydrophobicContact CD1-CG1 4.22Å; L317-I321 HydrophobicContact CG-CD1 3.91Å; L317-I321 HydrophobicContact CG-CG1 4.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.3Å; L317-I321 PolarHBondContact O-N 3.05Å
318I74.2Confident73.1Confident41 Ų4161.4 Ų61.421%0.2132%0.32CS..Hα-helixtrans-56.2-46.4174.5-64173.6000111.2T285 K314 H320 I321 R322T285-I318 HydrophobicContact CG2-CB 4.41Å; T285-I318 HydrophobicContact CG2-CD1 4.32Å; T285-I318 HydrophobicContact CG2-CG1 3.74Å; T285-I318 HydrophobicContact CG2-CG2 4.18Å; K314-I318 HydrophobicContact CG-CD1 3.86Å; K314-I318 HydrophobicContact CG-CG1 4.29Å; K314-I318 WeakPolarHBondContact O-CG1 3.07Å; K314-I318 PolarHBondContact O-N 3.39Å; I318-H320 PolarHBondContact O-N 2.91Å; I318-I321 PolarHBondContact O-N 2.67Å; I318-R322 PolarHBondContact O-N 3.43Å
319N76.4Confident74.2Confident47 Ų4759.4 Ų59.425%0.25130%0.297SS..Hα-helixtrans-69.7-15.8176.2-79.1-73.1000114Y315 K316 L317 R322Y315-N319 WeakPolarHBondContact O-CB 3.46Å; Y315-N319 PolarHBondContact O-N 2.87Å; Y315-N319 VanDerWaalsContact O-N 3.12Å; Y315-N319 PolarHBondContact O-ND2 3.18Å; K316-N319 PolarHBondContact O-N 2.9Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 2.83Å; N319-R322 PolarHBondContact OD1-NH1 3.47Å
320H81.1Confident75Confident18 Ų1855.1 Ų55.18%0.08328%0.278CS..Hα-helixtrans-85.7-39.5172.8169.935.5000112.2C304 F311 K316 L317 I318 R322 V323C304-H320 PolarHBondContact SG-CE1 3.03Å; C304-H320 PolarHBondContact SG-NE2 3.04Å; F311-H320 HydrophobicContact CE1-CB 3.87Å; F311-H320 HydrophobicContact CE2-CB 4.48Å; F311-H320 AromaticContact CE2-CD2 3.34Å; F311-H320 WeakPolarHBondContact CE2-CD2 3.2Å; F311-H320 HydrophobicContact CZ-CB 3.71Å; F311-H320 AromaticContact CZ-CD2 3.07Å; F311-H320 WeakPolarHBondContact CZ-CD2 3.24Å; F311-H320 AromaticContact CZ-CG 3.47Å; F311-H320 VanDerWaalsContact CZ-CG 3.47Å; F311-H320 AromaticContact CZ-NE2 3.82Å; K316-H320 WeakPolarHBondContact O-CB 3.44Å; K316-H320 PolarHBondContact O-N 3.35Å; L317-H320 CarbonylContact O-C 3.54Å; L317-H320 WeakPolarHBondContact O-CA 3.23Å; L317-H320 WeakPolarHBondContact O-CB 3.34Å; L317-H320 PolarHBondContact O-N 2.65Å; I318-H320 PolarHBondContact O-N 2.91Å; H320-R322 PolarHBondContact O-N 2.92Å; H320-V323 WeakPolarHBondContact O-CB 3.28Å; H320-V323 WeakPolarHBondContact O-CG2 3.44Å; H320-V323 PolarHBondContact O-N 3.06Å
321I74.7Confident75.6Confident0 Ų054.1 Ų54.10%027%0.266CS..Hα-helixtrans-55.5-35.1175.5-70.2157.3000111W259 V284 T285 V289 L317 I318 V323 H324 T325W259-I321 HydrophobicContact CZ3-CD1 3.99Å; W259-I321 HydrophobicContact CZ3-CG1 4.09Å; V284-I321 HydrophobicContact CG1-CD1 3.75Å; V284-I321 HydrophobicContact CG1-CG1 4.32Å; V284-I321 HydrophobicContact CG1-CG2 4.12Å; T285-I321 HydrophobicContact CG2-CD1 4.34Å; V289-I321 HydrophobicContact CG2-CD1 3.97Å; L317-I321 HydrophobicContact CD1-CD1 4.16Å; L317-I321 HydrophobicContact CD1-CG1 4.22Å; L317-I321 HydrophobicContact CG-CD1 3.91Å; L317-I321 HydrophobicContact CG-CG1 4.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.3Å; L317-I321 PolarHBondContact O-N 3.05Å; I318-I321 PolarHBondContact O-N 2.67Å; I321-V323 PolarHBondContact O-N 3.27Å; I321-H324 PolarHBondContact O-N 3.27Å; I321-T325 HydrophobicContact CG2-CG2 3.98Å; I321-T325 PolarHBondContact O-N 3.39Å; I321-T325 PolarHBondContact O-OG1 3.36Å
322R78.9Confident76.3Confident39 Ų3953.7 Ų53.715%0.14727%0.266CS..Hα-helixtrans-56.4-16.1170.9-66.3-172.8163.5130.410.1115.6I318 N319 H320 G326 E327 A342I318-R322 PolarHBondContact O-N 3.43Å; N319-R322 PolarHBondContact OD1-NH1 3.47Å; H320-R322 PolarHBondContact O-N 2.92Å; R322-G326 CarbonylContact O-C 3.24Å; R322-G326 WeakPolarHBondContact O-CA 3.22Å; R322-G326 PolarHBondContact O-N 2.78Å; R322-E327 HydrophobicContact CG-CB 4.22Å; R322-E327 IonicContact CZ-OE2 2.71Å; R322-E327 VanDerWaalsContact CZ-OE2 3.32Å; R322-E327 IonicContact NE-OE2 3.53Å; R322-E327 PolarHBondContact NE-OE2 3.11Å; R322-E327 IonicContact NH2-OE1 3.02Å; R322-E327 IonicContact NH2-OE2 3.46Å; R322-E327 PolarHBondContact NH2-OE2 3.27Å; R322-A342 HydrophobicContact CB-CB 4.47Å; R322-A342 WeakPolarHBondContact CD-O 3.35Å
323V77.6Confident76.8Confident108 Ų10846.2 Ų46.266%0.65524%0.24SC*.Hα-helixtrans-77.7-36.3173.1-177.40000110.8H320 I321H320-V323 WeakPolarHBondContact O-CB 3.28Å; H320-V323 WeakPolarHBondContact O-CG2 3.44Å; H320-V323 PolarHBondContact O-N 3.06Å; I321-V323 PolarHBondContact O-N 3.27Å
324H73.6Confident77.1Confident54 Ų5448.6 Ų48.625%0.2525%0.246CC..Hα-helixtrans-78.5-45.7176.9-57-65.3000111.7W301 C304 I321W301-H324 AromaticContact CD1-CE1 3.34Å; W301-H324 AromaticContact CD1-CG 3.69Å; W301-H324 AromaticContact CD1-ND1 3.47Å; W301-H324 HydrophobicContact CD2-CB 3.82Å; W301-H324 AromaticContact CD2-CG 3.88Å; W301-H324 AromaticContact CE2-CG 3.98Å; W301-H324 HydrophobicContact CE3-CB 4.38Å; W301-H324 HydrophobicContact CG-CB 4.16Å; W301-H324 AromaticContact CG-CD2 3.92Å; W301-H324 AromaticContact CG-CG 3.71Å; W301-H324 AromaticContact CG-ND1 3.86Å; W301-H324 HydrophobicContact CH2-CB 4.47Å; W301-H324 HydrophobicContact CZ2-CB 3.9Å; W301-H324 AromaticContact NE1-CE1 3.53Å; W301-H324 AromaticContact NE1-CG 3.85Å; W301-H324 AromaticContact NE1-ND1 3.84Å; C304-H324 WeakPolarHBondContact CA-NE2 3Å; C304-H324 WeakPolarHBondContact CB-NE2 3.37Å; C304-H324 PolarHBondContact SG-NE2 2.82Å; I321-H324 PolarHBondContact O-N 3.27Å
325T71.1Confident77.4Confident15 Ų1551.5 Ų51.59%0.09227%0.271CS..Hα-helixtrans-78.6-21.6179.769.50000112.7M277 L280 V281 W301 I321 E327M277-T325 WeakPolarHBondContact CE-O 3.42Å; L280-T325 HydrophobicContact CD2-CG2 3.78Å; L280-T325 HydrophobicContact CG-CG2 4.12Å; V281-T325 HydrophobicContact CG2-CG2 4.1Å; W301-T325 HydrophobicContact CH2-CG2 4.34Å; I321-T325 HydrophobicContact CG2-CG2 3.98Å; I321-T325 PolarHBondContact O-N 3.39Å; I321-T325 PolarHBondContact O-OG1 3.36Å; T325-E327 PolarHBondContact O-N 3.09Å; T325-E327 PolarHBondContact OG1-N 2.85Å
326G72.3Confident77.8Confident34 Ų3449.6 Ų49.635%0.35129%0.293SS..  trans73.47.2-177.400000114.9R322 K328R322-G326 CarbonylContact O-C 3.24Å; R322-G326 WeakPolarHBondContact O-CA 3.22Å; R322-G326 PolarHBondContact O-N 2.78Å; G326-K328 WeakPolarHBondContact O-CG 3.22Å; G326-K328 PolarHBondContact O-N 3.25Å
327E72.8Confident78.1Confident10 Ų1045.7 Ų45.75%0.04728%0.278CS..  trans-56.2128.9-177.1-164.3-146.6178.800112.3M277 V281 R322 T325 P329 A342M277-E327 HydrophobicContact CG-CB 3.82Å; M277-E327 HydrophobicContact CG-CG 3.87Å; V281-E327 HydrophobicContact CG2-CB 4.24Å; V281-E327 HydrophobicContact CG2-CG 4.4Å; R322-E327 HydrophobicContact CG-CB 4.22Å; R322-E327 IonicContact CZ-OE2 2.71Å; R322-E327 VanDerWaalsContact CZ-OE2 3.32Å; R322-E327 IonicContact NE-OE2 3.53Å; R322-E327 PolarHBondContact NE-OE2 3.11Å; R322-E327 IonicContact NH2-OE1 3.02Å; R322-E327 IonicContact NH2-OE2 3.46Å; R322-E327 PolarHBondContact NH2-OE2 3.27Å; T325-E327 PolarHBondContact O-N 3.09Å; T325-E327 PolarHBondContact OG1-N 2.85Å; E327-P329 HydrophobicContact CG-CG 4.4Å; E327-A342 WeakPolarHBondContact O-CB 3.45Å
328K78.8Confident78.4Confident93 Ų9349 Ų4940%0.40431%0.312SS..  trans-127.267.1-179.8-69.4163.6-162.1163.60111.7Y246 G326 F330 V340 F341 A342Y246-K328 WeakPolarHBondContact CE1-O 3.38Å; G326-K328 WeakPolarHBondContact O-CG 3.22Å; G326-K328 PolarHBondContact O-N 3.25Å; K328-F330 PolarHBondContact O-N 2.89Å; K328-V340 HydrophobicContact CB-CB 3.9Å; K328-V340 HydrophobicContact CB-CG2 3.89Å; K328-V340 HydrophobicContact CD-CG2 3.85Å; K328-V340 HydrophobicContact CG-CG2 4.48Å; K328-F341 CarbonylContact C-O 3.55Å; K328-F341 VanDerWaalsContact CA-O 3.28Å; K328-F341 WeakPolarHBondContact CA-O 3.26Å; K328-A342 HydrophobicContact CG-CB 4.26Å
329P76.6Confident78.8Confident13 Ų1352.7 Ų52.78%0.08433%0.327CS..  trans-74.63.9-169.631.9-35.2000114.5F243 M247 E327 P331F243-P329 HydrophobicContact CE2-CB 4.45Å; F243-P329 WeakPolarHBondContact CE2-O 3.11Å; M247-P329 HydrophobicContact CE-CB 4.44Å; M247-P329 HydrophobicContact SD-CB 4.22Å; E327-P329 HydrophobicContact CG-CG 4.4Å; P329-P331 VanDerWaalsContact C-CD 3.46Å; P329-P331 WeakPolarHBondContact O-CD 3.44Å
330F79.9Confident79.1Confident52 Ų5252.7 Ų52.723%0.22833%0.328CS..EExtended strand (participates in β ladder)trans-110.182.1179.1-56.8-74.4000111K328 F341 S344 L347K328-F330 PolarHBondContact O-N 2.89Å; F330-F341 HydrophobicContact CB-CB 4.24Å; F330-F341 WeakPolarHBondContact CB-O 3.42Å; F330-F341 WeakPolarHBondContact CD2-O 3.45Å; F330-F341 PolarHBondContact N-O 3.3Å; F330-F341 PolarHBondContact O-N 3.03Å; F330-S344 VanDerWaalsContact CD2-N 3.35Å; F330-L347 HydrophobicContact CB-CB 4.06Å; F330-L347 HydrophobicContact CB-CD2 3.88Å
331P80.4Confident79.2Confident39 Ų3953.9 Ų53.925%0.25333%0.333SS..EExtended strand (participates in β ladder)trans-68.7148.9173.829.1-35.1000112.1F243 P329 V340 L347F243-P331 HydrophobicContact CD2-CG 4.47Å; P329-P331 VanDerWaalsContact C-CD 3.46Å; P329-P331 WeakPolarHBondContact O-CD 3.44Å; P331-V340 HydrophobicContact CB-CG1 4.09Å; P331-L347 WeakPolarHBondContact O-CD2 3.34Å
332C86.8Confident79.4Confident14 Ų1455.2 Ų55.210%0.09535%0.345CS..  trans-72.7124.7169.2-167.20000110.2F334 C337 K339 L347 H350C332-F334 VanDerWaalsContact C-N 3.26Å; C332-F334 PolarHBondContact O-N 3.02Å; C332-C337 HydrophobicContact CB-CB 4.26Å; C332-C337 VanDerWaalsContact SG-SG 3.68Å; C332-K339 WeakPolarHBondContact CB-O 3.5Å; C332-K339 PolarHBondContact N-O 2.92Å; C332-L347 HydrophobicContact CB-CD1 4.26Å; C332-H350 VanDerWaalsContact SG-CD2 3.54Å; C332-H350 PolarHBondContact SG-NE2 3.23Å; C332-H350 VanDerWaalsContact SG-NE2 3.35Å
333P83Confident79.5Confident64 Ų6457.7 Ų57.742%0.41635%0.354SS..  trans-79.8-4.5-179.833.9-37.3000113.6A239A239-P333 HydrophobicContact CB-CB 4.4Å
334F81.7Confident79.6Confident74 Ų7456.1 Ų56.133%0.32535%0.348SS..SBendtrans-73.8125.1176.9-77.1-86.1000110C332 C337 K351 H354 T355C332-F334 VanDerWaalsContact C-N 3.26Å; C332-F334 PolarHBondContact O-N 3.02Å; F334-C337 HydrophobicContact CB-CB 4.14Å; F334-C337 VanDerWaalsContact O-CB 3.22Å; F334-C337 WeakPolarHBondContact O-CB 2.83Å; F334-C337 PolarHBondContact O-N 2.96Å; F334-K351 HydrophobicContact CE2-CB 4.22Å; F334-K351 HydrophobicContact CE2-CG 4.12Å; F334-H354 HydrophobicContact CD1-CB 3.91Å; F334-H354 HydrophobicContact CD2-CB 3.88Å; F334-H354 AromaticContact CD2-CD2 3.43Å; F334-H354 VanDerWaalsContact CD2-CD2 3.43Å; F334-H354 WeakPolarHBondContact CD2-CD2 3.36Å; F334-H354 AromaticContact CD2-CG 3.64Å; F334-H354 HydrophobicContact CE1-CB 3.74Å; F334-H354 HydrophobicContact CE2-CB 3.7Å; F334-H354 AromaticContact CE2-CD2 3.89Å; F334-H354 AromaticContact CE2-CG 3.96Å; F334-H354 HydrophobicContact CG-CB 3.98Å; F334-H354 AromaticContact CG-CD2 3.86Å; F334-H354 AromaticContact CG-CG 3.69Å; F334-H354 HydrophobicContact CZ-CB 3.63Å; F334-T355 HydrophobicContact CZ-CG2 4.21Å
335P80.4Confident80.1Confident126 Ų12658.6 Ų58.682%0.81836%0.359SS*.THydrogen-bonded Turntrans-60.7149.7178.226.7-34.3000110.9C337P335-C337 PolarHBondContact O-N 3.35Å
336G80.3Confident80.8Confident94 Ų9460.4 Ų60.497%0.96937%0.369SS*.THydrogen-bonded Turntrans71.1-12.1-175.200000115.7
337C85.3Confident81.5Confident22 Ų2259.8 Ų59.815%0.14936%0.357CS..THydrogen-bonded Turntrans-76-44.4-176.5-176.50000114.1C332 F334 P335 K339 H350 H354C332-C337 HydrophobicContact CB-CB 4.26Å; C332-C337 VanDerWaalsContact SG-SG 3.68Å; F334-C337 HydrophobicContact CB-CB 4.14Å; F334-C337 VanDerWaalsContact O-CB 3.22Å; F334-C337 WeakPolarHBondContact O-CB 2.83Å; F334-C337 PolarHBondContact O-N 2.96Å; P335-C337 PolarHBondContact O-N 3.35Å; C337-K339 PolarHBondContact O-N 3.35Å; C337-H350 PolarHBondContact SG-NE2 3.41Å; C337-H354 PolarHBondContact SG-CE1 3.24Å; C337-H354 PolarHBondContact SG-NE2 3.03Å; C337-H354 VanDerWaalsContact SG-NE2 3.36Å
338G80.6Confident82.2Confident71 Ų7166.3 Ų66.373%0.73239%0.386SS*.  trans64.8-9.3178.800000117.5
339K82.4Confident82.6Confident120 Ų12063.7 Ų63.752%0.52238%0.376SS..  trans-73.5132.6-172.5-68.8167.6-170.5170.60112.5C332 C337 F341C332-K339 WeakPolarHBondContact CB-O 3.5Å; C332-K339 PolarHBondContact N-O 2.92Å; C337-K339 PolarHBondContact O-N 3.35Å; K339-F341 HydrophobicContact CB-CE2 3.72Å; K339-F341 HydrophobicContact CB-CZ 3.92Å
340V83.6Confident83.1Confident46 Ų4663.9 Ų63.928%0.27938%0.375SS..EExtended strand (participates in β ladder)trans-117.6143.2179.2-68.20000111.6Y246 K328 P331Y246-V340 HydrophobicContact CE1-CG1 4.39Å; Y246-V340 HydrophobicContact CE2-CG1 4.29Å; K328-V340 HydrophobicContact CB-CB 3.9Å; K328-V340 HydrophobicContact CB-CG2 3.89Å; K328-V340 HydrophobicContact CD-CG2 3.85Å; K328-V340 HydrophobicContact CG-CG2 4.48Å; P331-V340 HydrophobicContact CB-CG1 4.09Å
341F81.8Confident83.4Confident43 Ų4365.5 Ų65.519%0.18938%0.382CS..EExtended strand (participates in β ladder)trans-129146.2-172.7-60.2-92.8000112.5K328 F330 K339 N346 L347 H350K328-F341 CarbonylContact C-O 3.55Å; K328-F341 VanDerWaalsContact CA-O 3.28Å; K328-F341 WeakPolarHBondContact CA-O 3.26Å; F330-F341 HydrophobicContact CB-CB 4.24Å; F330-F341 WeakPolarHBondContact CB-O 3.42Å; F330-F341 WeakPolarHBondContact CD2-O 3.45Å; F330-F341 PolarHBondContact N-O 3.3Å; F330-F341 PolarHBondContact O-N 3.03Å; K339-F341 HydrophobicContact CB-CE2 3.72Å; K339-F341 HydrophobicContact CB-CZ 3.92Å; F341-N346 HydrophobicContact CB-CB 4.28Å; F341-N346 HydrophobicContact CD1-CB 3.83Å; F341-N346 HydrophobicContact CG-CB 4.34Å; F341-L347 HydrophobicContact CB-CB 4.45Å; F341-L347 HydrophobicContact CD2-CB 4.27Å; F341-L347 HydrophobicContact CD2-CD1 4.23Å; F341-L347 HydrophobicContact CG-CB 4.48Å; F341-H350 HydrophobicContact CE1-CB 4.04Å; F341-H350 HydrophobicContact CE2-CB 3.97Å; F341-H350 AromaticContact CE2-CD2 3.2Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.36Å; F341-H350 AromaticContact CE2-CG 3.71Å; F341-H350 HydrophobicContact CZ-CB 3.55Å; F341-H350 AromaticContact CZ-CD2 3.31Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.41Å; F341-H350 AromaticContact CZ-CG 3.34Å
342A79.7Confident83.8Confident29 Ų2965.9 Ų65.924%0.2438%0.379CS..SBendtrans-80.3-12.9176.600000114.2R322 E327 K328R322-A342 HydrophobicContact CB-CB 4.47Å; R322-A342 WeakPolarHBondContact CD-O 3.35Å; E327-A342 WeakPolarHBondContact O-CB 3.45Å; K328-A342 HydrophobicContact CG-CB 4.26Å
343R80.8Confident83.7Confident91 Ų9169.5 Ų69.534%0.34340%0.4SS..SBendtrans-137.3137.2-178.2-55.9-165.8-64.598.8-5.6111.4E345 N346 L347R343-E345 VanDerWaalsContact C-N 3.32Å; R343-E345 IonicContact CZ-OE2 3.01Å; R343-E345 IonicContact NH1-OE2 2.68Å; R343-E345 PolarHBondContact NH1-OE2 3.41Å; R343-E345 IonicContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact O-N 2.93Å; R343-N346 PolarHBondContact NH2-OD1 3.13Å; R343-N346 WeakPolarHBondContact O-CB 3.43Å; R343-N346 PolarHBondContact O-N 3.41Å; R343-N346 VanDerWaalsContact O-N 3.12Å; R343-L347 PolarHBondContact O-N 3.48Å
344S80.6Confident83.8Confident75 Ų7570 Ų7052%0.52440%0.397SS..Hα-helixtrans-60.2-37.9179.452.20000113.2F330 N346 L347 K348F330-S344 VanDerWaalsContact CD2-N 3.35Å; S344-N346 PolarHBondContact O-N 3.12Å; S344-L347 WeakPolarHBondContact O-CB 3.41Å; S344-L347 PolarHBondContact O-N 3.15Å; S344-K348 PolarHBondContact O-N 3.46Å
345E84.3Confident84Confident105 Ų10570.2 Ų70.249%0.49140%0.404SS..Hα-helixtrans-57.5-45.4172.9-178.7-170.7-134.600111.8R343 L347 K348 I349R343-E345 VanDerWaalsContact C-N 3.32Å; R343-E345 IonicContact CZ-OE2 3.01Å; R343-E345 IonicContact NH1-OE2 2.68Å; R343-E345 PolarHBondContact NH1-OE2 3.41Å; R343-E345 IonicContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact NH2-OE2 2.77Å; R343-E345 PolarHBondContact O-N 2.93Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 3.21Å; E345-K348 WeakPolarHBondContact O-CB 3.32Å; E345-K348 PolarHBondContact O-N 2.82Å; E345-K348 VanDerWaalsContact O-N 3.08Å; E345-I349 HydrophobicContact CG-CD1 3.97Å; E345-I349 WeakPolarHBondContact O-CG1 3.44Å; E345-I349 PolarHBondContact O-N 2.96Å
346N85.7Confident84.1Confident54 Ų5466.5 Ų66.529%0.28939%0.389SS..Hα-helixtrans-63.9-37.9178.3-69.1-1.4000111.1F341 R343 S344 H350F341-N346 HydrophobicContact CB-CB 4.28Å; F341-N346 HydrophobicContact CD1-CB 3.83Å; F341-N346 HydrophobicContact CG-CB 4.34Å; R343-N346 PolarHBondContact NH2-OD1 3.13Å; R343-N346 WeakPolarHBondContact O-CB 3.43Å; R343-N346 PolarHBondContact O-N 3.41Å; R343-N346 VanDerWaalsContact O-N 3.12Å; S344-N346 PolarHBondContact O-N 3.12Å; N346-H350 VanDerWaalsContact O-CB 3.28Å; N346-H350 WeakPolarHBondContact O-CB 3.49Å; N346-H350 PolarHBondContact O-N 2.94Å
347L87.4Confident84.4Confident21 Ų2166.5 Ų66.511%0.1136%0.364CS..Hα-helixtrans-64.2-42.8171.1172.561000111.5F330 P331 C332 F341 R343 S344 E345 I349 H350 K351F330-L347 HydrophobicContact CB-CB 4.06Å; F330-L347 HydrophobicContact CB-CD2 3.88Å; P331-L347 WeakPolarHBondContact O-CD2 3.34Å; C332-L347 HydrophobicContact CB-CD1 4.26Å; F341-L347 HydrophobicContact CB-CB 4.45Å; F341-L347 HydrophobicContact CD2-CB 4.27Å; F341-L347 HydrophobicContact CD2-CD1 4.23Å; F341-L347 HydrophobicContact CG-CB 4.48Å; R343-L347 PolarHBondContact O-N 3.48Å; S344-L347 WeakPolarHBondContact O-CB 3.41Å; S344-L347 PolarHBondContact O-N 3.15Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 3.21Å; L347-I349 PolarHBondContact O-N 2.88Å; L347-H350 CarbonylContact O-C 3.51Å; L347-H350 PolarHBondContact O-N 3.35Å; L347-H350 VanDerWaalsContact O-N 3.15Å; L347-K351 HydrophobicContact CD1-CG 4.22Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.3Å
348K86.4Confident84.4Confident147 Ų14771.6 Ų71.664%0.63938%0.383SS*.Hα-helixtrans-61.8-42.5177.3-168.4175.7-177.31760111.6S344 E345 K351S344-K348 PolarHBondContact O-N 3.46Å; E345-K348 WeakPolarHBondContact O-CB 3.32Å; E345-K348 PolarHBondContact O-N 2.82Å; E345-K348 VanDerWaalsContact O-N 3.08Å; K348-K351 PolarHBondContact O-N 2.86Å
349I86.8Confident84.6Confident38 Ų3871.7 Ų71.720%0.19537%0.371CS..Hα-helixtrans-64.5-39.6173.1-67.3166000110.9E345 L347 R352 N373E345-I349 HydrophobicContact CG-CD1 3.97Å; E345-I349 WeakPolarHBondContact O-CG1 3.44Å; E345-I349 PolarHBondContact O-N 2.96Å; L347-I349 PolarHBondContact O-N 2.88Å; I349-R352 WeakPolarHBondContact O-CB 3.34Å; I349-R352 PolarHBondContact O-N 3.1Å; I349-N373 HydrophobicContact CD1-CB 3.75Å; I349-N373 HydrophobicContact CG1-CB 3.94Å; I349-N373 HydrophobicContact CG2-CB 3.84Å
350H87.4Confident84.8Confident16 Ų1668.7 Ų68.77%0.07436%0.358CS..Hα-helixtrans-70.4-34.6178175.445.2000113.4C332 C337 F341 N346 L347 R352 T353 H354C332-H350 VanDerWaalsContact SG-CD2 3.54Å; C332-H350 PolarHBondContact SG-NE2 3.23Å; C332-H350 VanDerWaalsContact SG-NE2 3.35Å; C337-H350 PolarHBondContact SG-NE2 3.41Å; F341-H350 HydrophobicContact CE1-CB 4.04Å; F341-H350 HydrophobicContact CE2-CB 3.97Å; F341-H350 AromaticContact CE2-CD2 3.2Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.36Å; F341-H350 AromaticContact CE2-CG 3.71Å; F341-H350 HydrophobicContact CZ-CB 3.55Å; F341-H350 AromaticContact CZ-CD2 3.31Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.41Å; F341-H350 AromaticContact CZ-CG 3.34Å; N346-H350 VanDerWaalsContact O-CB 3.28Å; N346-H350 WeakPolarHBondContact O-CB 3.49Å; N346-H350 PolarHBondContact O-N 2.94Å; L347-H350 CarbonylContact O-C 3.51Å; L347-H350 PolarHBondContact O-N 3.35Å; L347-H350 VanDerWaalsContact O-N 3.15Å; H350-R352 PolarHBondContact O-N 3.06Å; H350-R352 VanDerWaalsContact O-N 3.15Å; H350-T353 PolarHBondContact CE1-OG1 3.39Å; H350-T353 VanDerWaalsContact CE1-OG1 3.3Å; H350-T353 PolarHBondContact ND1-OG1 2.9Å; H350-T353 PolarHBondContact O-N 3.39Å; H350-T353 PolarHBondContact O-OG1 3.49Å; H350-H354 AromaticContact CE1-CD2 3.8Å; H350-H354 AromaticContact CE1-CE1 3.99Å; H350-H354 AromaticContact CE1-NE2 3.1Å; H350-H354 PolarHBondContact CE1-NE2 3.16Å; H350-H354 AromaticContact NE2-CD2 3.87Å; H350-H354 AromaticContact NE2-NE2 3.06Å; H350-H354 PolarHBondContact NE2-NE2 3.23Å
351K86.6Confident84.9Confident86 Ų8673 Ų7337%0.37437%0.373SS..Hα-helixtrans-54.5-35.2174-74.3-174.8-178.9-168.90111.6F334 L347 K348 T353 H354 T355F334-K351 HydrophobicContact CE2-CB 4.22Å; F334-K351 HydrophobicContact CE2-CG 4.12Å; L347-K351 HydrophobicContact CD1-CG 4.22Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.3Å; K348-K351 PolarHBondContact O-N 2.86Å; K351-T353 PolarHBondContact O-N 2.83Å; K351-H354 WeakPolarHBondContact O-CB 3.47Å; K351-H354 PolarHBondContact O-N 3.25Å; K351-T355 PolarHBondContact O-N 3.36Å
352R88.2Confident85.3Confident48 Ų4871.7 Ų71.718%0.18137%0.369CS..Hα-helixtrans-64.4-19.9174.3-61.2-171.7170.5138.1-0.8115.3I349 H350 H354 T355 G356 E357 A372I349-R352 WeakPolarHBondContact O-CB 3.34Å; I349-R352 PolarHBondContact O-N 3.1Å; H350-R352 PolarHBondContact O-N 3.06Å; H350-R352 VanDerWaalsContact O-N 3.15Å; R352-H354 PolarHBondContact O-N 2.92Å; R352-T355 WeakPolarHBondContact CA-OG1 3.2Å; R352-G356 CarbonylContact O-C 3.5Å; R352-G356 WeakPolarHBondContact O-CA 3.41Å; R352-G356 PolarHBondContact O-N 2.53Å; R352-E357 HydrophobicContact CB-CB 3.85Å; R352-E357 WeakPolarHBondContact CB-O 3.45Å; R352-E357 HydrophobicContact CG-CB 3.72Å; R352-E357 IonicContact NE-OE2 3.12Å; R352-E357 PolarHBondContact NE-OE2 3.42Å; R352-E357 PolarHBondContact O-N 3.12Å; R352-A372 HydrophobicContact CB-CB 4.02Å; R352-A372 WeakPolarHBondContact CD-O 3.41Å; R352-A372 PolarHBondContact NH1-O 2.65Å
353T85.6Confident85.5Confident90 Ų9077.3 Ų77.355%0.55239%0.39SS*.Hα-helixtrans-77.3-11.4172.472.70000112.7H350 K351H350-T353 PolarHBondContact CE1-OG1 3.39Å; H350-T353 VanDerWaalsContact CE1-OG1 3.3Å; H350-T353 PolarHBondContact ND1-OG1 2.9Å; H350-T353 PolarHBondContact O-N 3.39Å; H350-T353 PolarHBondContact O-OG1 3.49Å; K351-T353 PolarHBondContact O-N 2.83Å
354H85.1Confident85.6Confident75 Ų7578.3 Ų78.335%0.34740%0.398SS..Hα-helixtrans-97.3-39.3172.2-60.5-79.5000111.8F334 C337 H350 K351 R352 G356F334-H354 HydrophobicContact CD1-CB 3.91Å; F334-H354 HydrophobicContact CD2-CB 3.88Å; F334-H354 AromaticContact CD2-CD2 3.43Å; F334-H354 VanDerWaalsContact CD2-CD2 3.43Å; F334-H354 WeakPolarHBondContact CD2-CD2 3.36Å; F334-H354 AromaticContact CD2-CG 3.64Å; F334-H354 HydrophobicContact CE1-CB 3.74Å; F334-H354 HydrophobicContact CE2-CB 3.7Å; F334-H354 AromaticContact CE2-CD2 3.89Å; F334-H354 AromaticContact CE2-CG 3.96Å; F334-H354 HydrophobicContact CG-CB 3.98Å; F334-H354 AromaticContact CG-CD2 3.86Å; F334-H354 AromaticContact CG-CG 3.69Å; F334-H354 HydrophobicContact CZ-CB 3.63Å; C337-H354 PolarHBondContact SG-CE1 3.24Å; C337-H354 PolarHBondContact SG-NE2 3.03Å; C337-H354 VanDerWaalsContact SG-NE2 3.36Å; H350-H354 AromaticContact CE1-CD2 3.8Å; H350-H354 AromaticContact CE1-CE1 3.99Å; H350-H354 AromaticContact CE1-NE2 3.1Å; H350-H354 PolarHBondContact CE1-NE2 3.16Å; H350-H354 AromaticContact NE2-CD2 3.87Å; H350-H354 AromaticContact NE2-NE2 3.06Å; H350-H354 PolarHBondContact NE2-NE2 3.23Å; K351-H354 WeakPolarHBondContact O-CB 3.47Å; K351-H354 PolarHBondContact O-N 3.25Å; R352-H354 PolarHBondContact O-N 2.92Å; H354-G356 VanDerWaalsContact C-N 3.34Å
355T84.8Confident85.6Confident77 Ų7782.1 Ų82.147%0.47241%0.412SS..Hα-helixtrans-82.6-8.6176.559.60000114F334 K351 R352 E357F334-T355 HydrophobicContact CZ-CG2 4.21Å; K351-T355 PolarHBondContact O-N 3.36Å; R352-T355 WeakPolarHBondContact CA-OG1 3.2Å; T355-E357 WeakPolarHBondContact CB-OE1 3.31Å; T355-E357 PolarHBondContact O-N 2.79Å; T355-E357 VanDerWaalsContact OG1-CD 3.3Å; T355-E357 WeakPolarHBondContact OG1-CG 3.28Å; T355-E357 PolarHBondContact OG1-OE1 2.47Å
356G83.3Confident85.4Confident48 Ų4880.8 Ų80.850%0.49543%0.427SS..  trans75.2-2.7-177.500000115.1R352 H354 K358R352-G356 CarbonylContact O-C 3.5Å; R352-G356 WeakPolarHBondContact O-CA 3.41Å; R352-G356 PolarHBondContact O-N 2.53Å; H354-G356 VanDerWaalsContact C-N 3.34Å; G356-K358 PolarHBondContact O-N 2.95Å
357E85.7Confident85.4Confident94 Ų9479.3 Ų79.344%0.43942%0.42SS..  trans-52.8117.2-177.5-82168.5-114.600113.4R352 T355 P359R352-E357 HydrophobicContact CB-CB 3.85Å; R352-E357 WeakPolarHBondContact CB-O 3.45Å; R352-E357 HydrophobicContact CG-CB 3.72Å; R352-E357 IonicContact NE-OE2 3.12Å; R352-E357 PolarHBondContact NE-OE2 3.42Å; R352-E357 PolarHBondContact O-N 3.12Å; T355-E357 WeakPolarHBondContact CB-OE1 3.31Å; T355-E357 PolarHBondContact O-N 2.79Å; T355-E357 VanDerWaalsContact OG1-CD 3.3Å; T355-E357 WeakPolarHBondContact OG1-CG 3.28Å; T355-E357 PolarHBondContact OG1-OE1 2.47Å; E357-P359 VanDerWaalsContact C-CD 3.48Å; E357-P359 WeakPolarHBondContact O-CD 3.43Å
358K86.1Confident85.3Confident129 Ų12984.8 Ų84.856%0.56145%0.45SS*.  trans-125.669.7175.3-71.2164.1178.2176.60110.8G356 F360 K370 F371G356-K358 PolarHBondContact O-N 2.95Å; K358-F360 VanDerWaalsContact C-N 3.27Å; K358-F360 PolarHBondContact O-N 3.42Å; K358-K370 HydrophobicContact CB-CB 3.6Å; K358-K370 HydrophobicContact CD-CB 4.38Å; K358-K370 WeakPolarHBondContact CD-O 3.45Å; K358-F371 CarbonylContact C-O 3.14Å; K358-F371 VanDerWaalsContact C-O 3.31Å; K358-F371 VanDerWaalsContact CA-O 3.31Å; K358-F371 WeakPolarHBondContact CA-O 3.47Å
359P85.2Confident85.2Confident73 Ų7385.1 Ų85.147%0.47445%0.447SS..  trans-68.8-22.9-174.326.9-34000113.6E357 K361E357-P359 VanDerWaalsContact C-CD 3.48Å; E357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-K361 PolarHBondContact O-N 3.21Å
360F85.4Confident85.3Confident58 Ų5888 Ų8825%0.25446%0.458SS..EExtended strand (participates in β ladder)trans-9188.2-178.4-57-79.6000110.4K358 K370 F371 N373 R377K358-F360 VanDerWaalsContact C-N 3.27Å; K358-F360 PolarHBondContact O-N 3.42Å; F360-K370 CarbonylContact O-C 3.31Å; F360-K370 WeakPolarHBondContact O-CA 3.41Å; F360-F371 HydrophobicContact CB-CB 4.29Å; F360-F371 PolarHBondContact N-O 3.22Å; F360-F371 VanDerWaalsContact N-O 3.13Å; F360-F371 WeakPolarHBondContact O-CD2 3.47Å; F360-F371 PolarHBondContact O-N 3.37Å; F360-N373 VanDerWaalsContact CD2-CA 3.41Å; F360-R377 HydrophobicContact CB-CB 4.33Å
361K87.1Confident85.3Confident135 Ų13589.2 Ų89.259%0.58746%0.463SS*.EExtended strand (participates in β ladder)trans-63.8153.2165.4-57.3-175.2-174.5179.60110.3P359 R369 K370 R377P359-K361 PolarHBondContact O-N 3.21Å; K361-R369 CarbonylContact C-O 3.56Å; K361-K370 HydrophobicContact CG-CD 4.31Å; K361-K370 HydrophobicContact CG-CG 4.22Å; K361-R377 WeakPolarHBondContact O-CD 3.47Å
362C88.6Confident85.2Confident16 Ų1686.1 Ų86.111%0.10845%0.454CS..  trans-61155.1162.9-156.20000110.4C367 R369C362-C367 HydrophobicContact CB-CB 4.13Å; C362-C367 WeakPolarHBondContact CB-O 3.43Å; C362-R369 PolarHBondContact N-O 2.83Å
363E85.1Confident85.2Confident147 Ų14784.7 Ų84.769%0.68745%0.449SS*.  trans-107.10.2178.9-71.2155.7162.200111.8R377E363-R377 IonicContact OE1-CZ 2.67Å; E363-R377 IonicContact OE1-NH1 3.84Å; E363-R377 PolarHBondContact OE1-NH1 2.87Å; E363-R377 IonicContact OE1-NH2 3.98Å; E363-R377 PolarHBondContact OE1-NH2 3.06Å; E363-R377 IonicContact OE2-CZ 3.89Å; E363-R377 IonicContact OE2-NE 2.74Å; E363-R377 IonicContact OE2-NH1 3.79Å; E363-R377 PolarHBondContact OE2-NH1 3.42Å; E363-R377 IonicContact OE2-NH2 3.08Å; E363-R377 PolarHBondContact OE2-NH2 3.46Å
364F83.1Confident85.2Confident113 Ų11383.1 Ų83.150%0.49644%0.442SS..SBendtrans-85.4131.4173.3-173.7-94.5000109.9C367 H384F364-C367 HydrophobicContact CB-CB 4.36Å; F364-C367 HydrophobicContact CD1-CB 4.2Å; F364-C367 WeakPolarHBondContact O-CB 3.21Å; F364-C367 PolarHBondContact O-N 2.89Å; F364-H384 HydrophobicContact CB-CB 4.28Å; F364-H384 HydrophobicContact CD1-CB 4.11Å; F364-H384 AromaticContact CD1-CE1 3.67Å; F364-H384 AromaticContact CD1-CG 3.58Å; F364-H384 AromaticContact CD1-ND1 3.28Å; F364-H384 VanDerWaalsContact CD1-ND1 3.28Å; F364-H384 WeakPolarHBondContact CD1-ND1 3.44Å; F364-H384 HydrophobicContact CD2-CB 3.58Å; F364-H384 AromaticContact CD2-CG 3.88Å; F364-H384 HydrophobicContact CE1-CB 4.36Å; F364-H384 AromaticContact CE1-ND1 3.65Å; F364-H384 HydrophobicContact CE2-CB 3.86Å; F364-H384 HydrophobicContact CG-CB 3.71Å; F364-H384 AromaticContact CG-CD2 3.79Å; F364-H384 AromaticContact CG-CG 3.43Å; F364-H384 VanDerWaalsContact CG-CG 3.43Å; F364-H384 AromaticContact CG-ND1 3.68Å; F364-H384 HydrophobicContact CZ-CB 4.24Å
365D79.3Confident85.2Confident155 Ų15582.8 Ų82.883%0.82945%0.448SS*.THydrogen-bonded Turntrans-64.6145.9-178.1-165.716.4000111.8C367D365-C367 PolarHBondContact O-N 3.42Å
366G80.6Confident85.2Confident77 Ų7782.1 Ų82.179%0.79444%0.442SS*.THydrogen-bonded Turntrans67.79.5-17000000115.6
367C85.4Confident85.4Confident23 Ų2382.5 Ų82.516%0.15543%0.428CS..  trans-114.891.2177.4-168.30000114.5C362 F364 D365 R369 H380 H384C362-C367 HydrophobicContact CB-CB 4.13Å; C362-C367 WeakPolarHBondContact CB-O 3.43Å; F364-C367 HydrophobicContact CB-CB 4.36Å; F364-C367 HydrophobicContact CD1-CB 4.2Å; F364-C367 WeakPolarHBondContact O-CB 3.21Å; F364-C367 PolarHBondContact O-N 2.89Å; D365-C367 PolarHBondContact O-N 3.42Å; C367-R369 PolarHBondContact O-N 3.08Å; C367-H380 PolarHBondContact SG-NE2 3.08Å; C367-H384 PolarHBondContact SG-CE1 2.88Å; C367-H384 PolarHBondContact SG-NE2 3.31Å
368D85.6Confident85.3Confident136 Ų13685.2 Ų85.273%0.72744%0.438SS*.  trans-68.16.3178.2-94.9-63.8000116.5K370D368-K370 WeakPolarHBondContact O-CE 3.5Å; D368-K370 WeakPolarHBondContact O-CG 3.33Å; D368-K370 PolarHBondContact O-N 3.26Å
369R84.8Confident85.1Confident154 Ų15483.9 Ų83.958%0.58143%0.433SS*.  trans-69.2128.7-175.1-79.8-177.2155.2161.5-1.1112.2K361 C362 C367 F371 H380K361-R369 CarbonylContact C-O 3.56Å; C362-R369 PolarHBondContact N-O 2.83Å; C367-R369 PolarHBondContact O-N 3.08Å; R369-F371 HydrophobicContact CB-CE2 3.74Å; R369-F371 HydrophobicContact CB-CZ 3.95Å; R369-H380 VanDerWaalsContact CD-NE2 3.27Å; R369-H380 WeakPolarHBondContact CD-NE2 3.42Å
370K88.5Confident85Confident97 Ų9781.1 Ų81.142%0.42241%0.414SS..EExtended strand (participates in β ladder)trans-121.3138.2-175.5-41.1-177.8-176.91580111K358 F360 K361 D368K358-K370 HydrophobicContact CB-CB 3.6Å; K358-K370 HydrophobicContact CD-CB 4.38Å; K358-K370 WeakPolarHBondContact CD-O 3.45Å; F360-K370 CarbonylContact O-C 3.31Å; F360-K370 WeakPolarHBondContact O-CA 3.41Å; K361-K370 HydrophobicContact CG-CD 4.31Å; K361-K370 HydrophobicContact CG-CG 4.22Å; D368-K370 WeakPolarHBondContact O-CE 3.5Å; D368-K370 WeakPolarHBondContact O-CG 3.33Å; D368-K370 PolarHBondContact O-N 3.26Å
371F86.6Confident84.7Confident43 Ų4380.6 Ų80.619%0.18942%0.417CS..EExtended strand (participates in β ladder)trans-125.1148.7-170.8-59.8-92.1000112.3K358 F360 R369 N373 D376 R377 H380K358-F371 CarbonylContact C-O 3.14Å; K358-F371 VanDerWaalsContact C-O 3.31Å; K358-F371 VanDerWaalsContact CA-O 3.31Å; K358-F371 WeakPolarHBondContact CA-O 3.47Å; F360-F371 HydrophobicContact CB-CB 4.29Å; F360-F371 PolarHBondContact N-O 3.22Å; F360-F371 VanDerWaalsContact N-O 3.13Å; F360-F371 WeakPolarHBondContact O-CD2 3.47Å; F360-F371 PolarHBondContact O-N 3.37Å; R369-F371 HydrophobicContact CB-CE2 3.74Å; R369-F371 HydrophobicContact CB-CZ 3.95Å; F371-N373 VanDerWaalsContact C-N 3.31Å; F371-N373 WeakPolarHBondContact CB-O 3.49Å; F371-D376 HydrophobicContact CD1-CB 3.98Å; F371-R377 HydrophobicContact CB-CB 4.35Å; F371-R377 HydrophobicContact CD2-CB 3.92Å; F371-R377 HydrophobicContact CD2-CG 4.23Å; F371-R377 HydrophobicContact CG-CB 4.2Å; F371-H380 HydrophobicContact CE1-CB 4.04Å; F371-H380 HydrophobicContact CE2-CB 4.08Å; F371-H380 AromaticContact CE2-CD2 3.38Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.39Å; F371-H380 AromaticContact CE2-CG 3.99Å; F371-H380 HydrophobicContact CZ-CB 3.52Å; F371-H380 AromaticContact CZ-CD2 3.25Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.38Å; F371-H380 AromaticContact CZ-CG 3.47Å; F371-H380 VanDerWaalsContact CZ-CG 3.47Å
372A86.1Confident84.3Confident21 Ų2177.4 Ų77.417%0.17440%0.404CS..SBendtrans-76.6-16176.900000113.5R352R352-A372 HydrophobicContact CB-CB 4.02Å; R352-A372 WeakPolarHBondContact CD-O 3.41Å; R352-A372 PolarHBondContact NH1-O 2.65Å
373N87.3Confident83.8Confident18 Ų1880.9 Ų80.910%0.09642%0.424CS..SBendtrans-143.2155.2175.768.980000111.9I349 F360 F371 S375 D376 R377I349-N373 HydrophobicContact CD1-CB 3.75Å; I349-N373 HydrophobicContact CG1-CB 3.94Å; I349-N373 HydrophobicContact CG2-CB 3.84Å; F360-N373 VanDerWaalsContact CD2-CA 3.41Å; F371-N373 VanDerWaalsContact C-N 3.31Å; F371-N373 WeakPolarHBondContact CB-O 3.49Å; N373-S375 WeakPolarHBondContact OD1-CB 3.49Å; N373-S375 PolarHBondContact OD1-N 2.91Å; N373-D376 PolarHBondContact ND2-OD2 2.75Å; N373-D376 WeakPolarHBondContact OD1-CB 3.45Å; N373-D376 PolarHBondContact OD1-N 3.03Å; N373-D376 PolarHBondContact OD1-OD2 2.97Å; N373-R377 PolarHBondContact O-N 3.49Å
374S84.6Confident83.5Confident57 Ų5776.3 Ų76.340%0.39940%0.403SS..Hα-helixtrans-70-30.8-179.250.40000113.3D376 R377 K378S374-D376 PolarHBondContact O-N 3.07Å; S374-R377 WeakPolarHBondContact O-CB 3.42Å; S374-R377 PolarHBondContact O-N 2.67Å; S374-K378 PolarHBondContact O-N 3.01Å
375S85.4Confident82.9Confident67 Ų6773.7 Ų73.747%0.46940%0.396SS..Hα-helixtrans-65.9-37-179.4-48.20000112.6N373 K378 K379N373-S375 WeakPolarHBondContact OD1-CB 3.49Å; N373-S375 PolarHBondContact OD1-N 2.91Å; S375-K378 PolarHBondContact O-N 3.41Å; S375-K379 WeakPolarHBondContact O-CE 3.39Å; S375-K379 VanDerWaalsContact O-CG 3.3Å; S375-K379 WeakPolarHBondContact O-CG 3.37Å; S375-K379 PolarHBondContact O-N 3.07Å
376D84.7Confident82.2Confident63 Ų6371.5 Ų71.534%0.33739%0.393SS..Hα-helixtrans-76.7-31.7176.2-68.5-24.9000111.8F371 N373 S374 K379 H380F371-D376 HydrophobicContact CD1-CB 3.98Å; N373-D376 PolarHBondContact ND2-OD2 2.75Å; N373-D376 WeakPolarHBondContact OD1-CB 3.45Å; N373-D376 PolarHBondContact OD1-N 3.03Å; N373-D376 PolarHBondContact OD1-OD2 2.97Å; S374-D376 PolarHBondContact O-N 3.07Å; D376-K379 PolarHBondContact O-N 3.38Å; D376-K379 WeakPolarHBondContact OD1-CE 3.49Å; D376-K379 IonicContact OD1-NZ 3.99Å; D376-K379 PolarHBondContact OD1-NZ 3.47Å; D376-H380 WeakPolarHBondContact O-CB 3.37Å; D376-H380 PolarHBondContact O-N 3.4Å
377R87.9Confident81.6Confident56 Ų5673.3 Ų73.321%0.21139%0.385CS..Hα-helixtrans-58.9-48.5165.2-175.4-168.871.2173.216.5111.2F360 K361 E363 F371 N373 S374 K379 H380 S381F360-R377 HydrophobicContact CB-CB 4.33Å; K361-R377 WeakPolarHBondContact O-CD 3.47Å; E363-R377 IonicContact OE1-CZ 2.67Å; E363-R377 IonicContact OE1-NH1 3.84Å; E363-R377 PolarHBondContact OE1-NH1 2.87Å; E363-R377 IonicContact OE1-NH2 3.98Å; E363-R377 PolarHBondContact OE1-NH2 3.06Å; E363-R377 IonicContact OE2-CZ 3.89Å; E363-R377 IonicContact OE2-NE 2.74Å; E363-R377 IonicContact OE2-NH1 3.79Å; E363-R377 PolarHBondContact OE2-NH1 3.42Å; E363-R377 IonicContact OE2-NH2 3.08Å; E363-R377 PolarHBondContact OE2-NH2 3.46Å; F371-R377 HydrophobicContact CB-CB 4.35Å; F371-R377 HydrophobicContact CD2-CB 3.92Å; F371-R377 HydrophobicContact CD2-CG 4.23Å; F371-R377 HydrophobicContact CG-CB 4.2Å; N373-R377 PolarHBondContact O-N 3.49Å; S374-R377 WeakPolarHBondContact O-CB 3.42Å; S374-R377 PolarHBondContact O-N 2.67Å; R377-K379 VanDerWaalsContact C-N 3.3Å; R377-K379 PolarHBondContact O-N 3.37Å; R377-H380 CarbonylContact O-C 3.58Å; R377-H380 WeakPolarHBondContact O-CA 3.49Å; R377-H380 WeakPolarHBondContact O-CB 3.46Å; R377-H380 PolarHBondContact O-N 2.87Å; R377-S381 PolarHBondContact O-N 2.96Å
378K84.2Confident81.1Confident151 Ų15177.8 Ų77.866%0.65740%0.401SS*.Hα-helixtrans-66.3-28.7179.2-170.7166.1-176.8168.80112.8S374 S375 S381 H382S374-K378 PolarHBondContact O-N 3.01Å; S375-K378 PolarHBondContact O-N 3.41Å; K378-S381 PolarHBondContact O-OG 3.15Å; K378-H382 PolarHBondContact O-CD2 3.2Å
379K80.9Confident80.6Confident101 Ų10175.1 Ų75.144%0.43939%0.392SS..Hα-helixtrans-69.3-35.4167.5-68.8163.7-150.4161.90112S375 D376 R377S375-K379 WeakPolarHBondContact O-CE 3.39Å; S375-K379 VanDerWaalsContact O-CG 3.3Å; S375-K379 WeakPolarHBondContact O-CG 3.37Å; S375-K379 PolarHBondContact O-N 3.07Å; D376-K379 PolarHBondContact O-N 3.38Å; D376-K379 WeakPolarHBondContact OD1-CE 3.49Å; D376-K379 IonicContact OD1-NZ 3.99Å; D376-K379 PolarHBondContact OD1-NZ 3.47Å; R377-K379 VanDerWaalsContact C-N 3.3Å; R377-K379 PolarHBondContact O-N 3.37Å
380H84.3Confident80.4Confident16 Ų1671.8 Ų71.87%0.07438%0.38CS..Hα-helixtrans-75.2-31.8179.2176.637000113.6C367 R369 F371 D376 R377 H382 V383 H384C367-H380 PolarHBondContact SG-NE2 3.08Å; R369-H380 VanDerWaalsContact CD-NE2 3.27Å; R369-H380 WeakPolarHBondContact CD-NE2 3.42Å; F371-H380 HydrophobicContact CE1-CB 4.04Å; F371-H380 HydrophobicContact CE2-CB 4.08Å; F371-H380 AromaticContact CE2-CD2 3.38Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.39Å; F371-H380 AromaticContact CE2-CG 3.99Å; F371-H380 HydrophobicContact CZ-CB 3.52Å; F371-H380 AromaticContact CZ-CD2 3.25Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.38Å; F371-H380 AromaticContact CZ-CG 3.47Å; F371-H380 VanDerWaalsContact CZ-CG 3.47Å; D376-H380 WeakPolarHBondContact O-CB 3.37Å; D376-H380 PolarHBondContact O-N 3.4Å; R377-H380 CarbonylContact O-C 3.58Å; R377-H380 WeakPolarHBondContact O-CA 3.49Å; R377-H380 WeakPolarHBondContact O-CB 3.46Å; R377-H380 PolarHBondContact O-N 2.87Å; H380-H382 PolarHBondContact O-N 2.65Å; H380-H382 VanDerWaalsContact O-N 3.1Å; H380-V383 VanDerWaalsContact O-CB 3.23Å; H380-V383 WeakPolarHBondContact O-CB 3.43Å; H380-V383 WeakPolarHBondContact O-CG2 3.3Å; H380-V383 PolarHBondContact O-N 3.48Å; H380-H384 AromaticContact CE1-NE2 3.47Å; H380-H384 PolarHBondContact CE1-NE2 3.48Å; H380-H384 AromaticContact NE2-NE2 3.38Å; H380-H384 PolarHBondContact NE2-NE2 2.87Å
381S79.7Confident80.1Confident47 Ų4773.9 Ų73.933%0.32939%0.386SS..Hα-helixtrans-57.6-27.7175.848.80000112.8R377 K378 V383 H384 T385R377-S381 PolarHBondContact O-N 2.96Å; K378-S381 PolarHBondContact O-OG 3.15Å; S381-V383 PolarHBondContact O-N 3Å; S381-H384 PolarHBondContact O-N 3.27Å; S381-T385 PolarHBondContact O-N 3.15Å
382H77.9Confident80Confident67 Ų6772.4 Ų72.431%0.3138%0.381SS..THydrogen-bonded Turntrans-68.67.2169.5-60-63.7000115.3K378 H380 T385 T402K378-H382 PolarHBondContact O-CD2 3.2Å; H380-H382 PolarHBondContact O-N 2.65Å; H380-H382 VanDerWaalsContact O-N 3.1Å; H382-T385 WeakPolarHBondContact CA-OG1 3.42Å; H382-T402 WeakPolarHBondContact O-CB 3.15Å; H382-T402 VanDerWaalsContact O-CG2 3.31Å; H382-T402 WeakPolarHBondContact O-CG2 3.31Å; H382-T402 PolarHBondContact O-OG1 3.23Å
383V78.8Confident79.7Confident89 Ų8977.7 Ų77.754%0.53940%0.4SS..THydrogen-bonded Turntrans-94.8-22.9168-178.80000110.8H380 S381H380-V383 VanDerWaalsContact O-CB 3.23Å; H380-V383 WeakPolarHBondContact O-CB 3.43Å; H380-V383 WeakPolarHBondContact O-CG2 3.3Å; H380-V383 PolarHBondContact O-N 3.48Å; S381-V383 PolarHBondContact O-N 3Å
384H77.6Confident79.4Confident51 Ų5179.8 Ų79.824%0.23641%0.413CS..THydrogen-bonded Turntrans-89.8-27.3178.1-58.3-62.3000112.4F364 C367 H380 S381 S386F364-H384 HydrophobicContact CB-CB 4.28Å; F364-H384 HydrophobicContact CD1-CB 4.11Å; F364-H384 AromaticContact CD1-CE1 3.67Å; F364-H384 AromaticContact CD1-CG 3.58Å; F364-H384 AromaticContact CD1-ND1 3.28Å; F364-H384 VanDerWaalsContact CD1-ND1 3.28Å; F364-H384 WeakPolarHBondContact CD1-ND1 3.44Å; F364-H384 HydrophobicContact CD2-CB 3.58Å; F364-H384 AromaticContact CD2-CG 3.88Å; F364-H384 HydrophobicContact CE1-CB 4.36Å; F364-H384 AromaticContact CE1-ND1 3.65Å; F364-H384 HydrophobicContact CE2-CB 3.86Å; F364-H384 HydrophobicContact CG-CB 3.71Å; F364-H384 AromaticContact CG-CD2 3.79Å; F364-H384 AromaticContact CG-CG 3.43Å; F364-H384 VanDerWaalsContact CG-CG 3.43Å; F364-H384 AromaticContact CG-ND1 3.68Å; F364-H384 HydrophobicContact CZ-CB 4.24Å; C367-H384 PolarHBondContact SG-CE1 2.88Å; C367-H384 PolarHBondContact SG-NE2 3.31Å; H380-H384 AromaticContact CE1-NE2 3.47Å; H380-H384 PolarHBondContact CE1-NE2 3.48Å; H380-H384 AromaticContact NE2-NE2 3.38Å; H380-H384 PolarHBondContact NE2-NE2 2.87Å; S381-H384 PolarHBondContact O-N 3.27Å; H384-S386 PolarHBondContact O-N 3.47Å
385T71.4Confident78.9Confident58 Ų5888.4 Ų88.436%0.35644%0.437SS..SBendtrans-74.2111.7162.258.20000108.9S381 H382 D387S381-T385 PolarHBondContact O-N 3.15Å; H382-T385 WeakPolarHBondContact CA-OG1 3.42Å; T385-D387 PolarHBondContact O-N 2.97Å; T385-D387 VanDerWaalsContact O-N 3.14Å
386S63.5Low78.4Confident109 Ų10989 Ų8976%0.76245%0.453SS*.  trans-62.1-16.1175-65.20000113.5H384 K388H384-S386 PolarHBondContact O-N 3.47Å; S386-K388 PolarHBondContact O-N 3.41Å
387D69.4Low78.2Confident115 Ų11586.4 Ų86.462%0.61544%0.44SS*.  trans-62.2125-179.2-55.2-54.5000112.7T385 P389 T402T385-D387 PolarHBondContact O-N 2.97Å; T385-D387 VanDerWaalsContact O-N 3.14Å; D387-P389 WeakPolarHBondContact O-CD 3.3Å; D387-T402 WeakPolarHBondContact O-CG2 3.44Å
388K73.2Confident77.8Confident117 Ų11791.3 Ų91.351%0.50947%0.47SS..  trans-114.763.9177.8-67.2170.1-172.2170.60111S386 Y390 S400 Y401 T402S386-K388 PolarHBondContact O-N 3.41Å; K388-Y390 PolarHBondContact O-N 2.97Å; K388-S400 WeakPolarHBondContact CB-OG 3.46Å; K388-S400 WeakPolarHBondContact CD-OG 3.49Å; K388-Y401 CarbonylContact C-O 3.58Å; K388-Y401 VanDerWaalsContact C-O 3.24Å; K388-Y401 VanDerWaalsContact CA-O 3.3Å; K388-Y401 WeakPolarHBondContact CA-O 3.35Å; K388-T402 HydrophobicContact CG-CG2 3.68Å
389P76.6Confident77.6Confident80 Ų8089.6 Ų89.652%0.51946%0.463SS..  trans-66.1-11.9-17227.4-35.5000114.1D387 Y391D387-P389 WeakPolarHBondContact O-CD 3.3Å; P389-Y391 PolarHBondContact O-N 3.47Å
390Y79.8Confident77.5Confident85 Ų8587.2 Ų87.233%0.33346%0.459SS..EExtended strand (participates in β ladder)trans-99.684.7-178.2-52.4-70.8000111.1K388 Y401 P404K388-Y390 PolarHBondContact O-N 2.97Å; Y390-Y401 WeakPolarHBondContact CB-O 3.45Å; Y390-Y401 WeakPolarHBondContact CD2-O 3.38Å; Y390-Y401 PolarHBondContact N-O 3.2Å; Y390-Y401 VanDerWaalsContact N-O 3.13Å; Y390-Y401 PolarHBondContact O-N 2.88Å; Y390-P404 HydrophobicContact CD1-CB 4.45Å; Y390-P404 HydrophobicContact CD1-CG 4.03Å; Y390-P404 HydrophobicContact CD2-CG 4.28Å; Y390-P404 HydrophobicContact CE1-CB 4.46Å; Y390-P404 HydrophobicContact CE1-CG 3.63Å; Y390-P404 HydrophobicContact CE2-CG 3.91Å; Y390-P404 HydrophobicContact CG-CG 4.34Å
391Y81.9Confident77.3Confident140 Ų14089.2 Ų89.255%0.54947%0.467SS..EExtended strand (participates in β ladder)trans-83.6151.3177.158.9-86.7000113.2P389 K393 L407P389-Y391 PolarHBondContact O-N 3.47Å; Y391-K393 HydrophobicContact CD2-CG 4.18Å; Y391-K393 HydrophobicContact CE2-CG 3.84Å; Y391-L407 WeakPolarHBondContact O-CD1 3.23Å; Y391-L407 WeakPolarHBondContact O-CD2 3.42Å
392C85.3Confident77.1Confident12 Ų1288.8 Ų88.88%0.08146%0.462CS..  trans-70.4138.4167.1-178.40000110.8V394 C397 K399 L407 M411 H414C392-V394 PolarHBondContact SG-N 3.21Å; C392-V394 VanDerWaalsContact SG-N 3.36Å; C392-C397 WeakPolarHBondContact CB-O 3.48Å; C392-K399 WeakPolarHBondContact CB-O 3.5Å; C392-K399 PolarHBondContact N-O 3.46Å; C392-L407 HydrophobicContact CB-CD1 4.3Å; C392-M411 HydrophobicContact CB-CE 3.93Å; C392-M411 WeakPolarHBondContact SG-CE 3.49Å; C392-H414 PolarHBondContact SG-NE2 3.14Å
393K79.3Confident77.1Confident132 Ų13288 Ų8857%0.57446%0.458SS*.  trans-98.91.1177.3-64.7-174.7178.9179.90113.7Y391Y391-K393 HydrophobicContact CD2-CG 4.18Å; Y391-K393 HydrophobicContact CE2-CG 3.84Å
394V81.1Confident77Confident62 Ų6285.3 Ų85.338%0.37644%0.443SS..SBendtrans-80.8129.8179.1-177.30000108.9C392 G396 C397 H414C392-V394 PolarHBondContact SG-N 3.21Å; C392-V394 VanDerWaalsContact SG-N 3.36Å; V394-G396 PolarHBondContact O-N 3.13Å; V394-C397 PolarHBondContact O-N 2.94Å; V394-H414 HydrophobicContact CG2-CB 4.16Å; V394-H414 VanDerWaalsContact CG2-CD2 3.5Å; V394-H414 WeakPolarHBondContact CG2-CD2 3.45Å
395R74.4Confident77.1Confident239 Ų23985.2 Ų85.290%0.90245%0.448SS*.THydrogen-bonded Turntrans-61.1135.4-179.7-65-68.7174.2109.9-5.2110.1
396G74.2Confident77.6Confident79 Ų7984.5 Ų84.581%0.81445%0.445SS*.THydrogen-bonded Turntrans78.422.6-174.700000114.7V394V394-G396 PolarHBondContact O-N 3.13Å
397C80.9Confident78.6Confident9 Ų980.9 Ų80.96%0.06142%0.417CS..  trans-143.488.5177.2-161.10000114C392 V394 K399 H410 H414C392-C397 WeakPolarHBondContact CB-O 3.48Å; V394-C397 PolarHBondContact O-N 2.94Å; C397-K399 PolarHBondContact O-N 3.37Å; C397-H410 VanDerWaalsContact SG-CE1 3.55Å; C397-H410 PolarHBondContact SG-NE2 3.47Å; C397-H410 VanDerWaalsContact SG-NE2 3.39Å; C397-H414 WeakPolarHBondContact CB-CE1 3.38Å; C397-H414 WeakPolarHBondContact CB-NE2 3.47Å; C397-H414 PolarHBondContact SG-CE1 3.28Å; C397-H414 PolarHBondContact SG-NE2 2.81Å
398D78.6Confident79.2Confident158 Ų15880.5 Ų80.585%0.84541%0.407SS*.  trans-80.628.4-173.9-44.2-72000113.8S400D398-S400 PolarHBondContact O-N 3Å
399K79.9Confident79.7Confident116 Ų11682.4 Ų82.450%0.50442%0.415SS..  trans-82.9114.3-173.6-69.3-179.7-178.5171.30111.2C392 C397 Y401C392-K399 WeakPolarHBondContact CB-O 3.5Å; C392-K399 PolarHBondContact N-O 3.46Å; C397-K399 PolarHBondContact O-N 3.37Å; K399-Y401 HydrophobicContact CB-CE2 3.89Å; K399-Y401 WeakPolarHBondContact O-CE2 3.47Å
400S79.9Confident80Confident51 Ų5179.3 Ų79.336%0.35739%0.394SS..EExtended strand (participates in β ladder)trans-107.4149.8177.363.10000112.9K388 D398K388-S400 WeakPolarHBondContact CB-OG 3.46Å; K388-S400 WeakPolarHBondContact CD-OG 3.49Å; D398-S400 PolarHBondContact O-N 3Å
401Y79.3Confident80Confident58 Ų5877.2 Ų77.223%0.22739%0.388CS..EExtended strand (participates in β ladder)trans-134.2147.6-172.7-62.4-86.4000111.9K388 Y390 K399 H403 L407 H410K388-Y401 CarbonylContact C-O 3.58Å; K388-Y401 VanDerWaalsContact C-O 3.24Å; K388-Y401 VanDerWaalsContact CA-O 3.3Å; K388-Y401 WeakPolarHBondContact CA-O 3.35Å; Y390-Y401 WeakPolarHBondContact CB-O 3.45Å; Y390-Y401 WeakPolarHBondContact CD2-O 3.38Å; Y390-Y401 PolarHBondContact N-O 3.2Å; Y390-Y401 VanDerWaalsContact N-O 3.13Å; Y390-Y401 PolarHBondContact O-N 2.88Å; K399-Y401 HydrophobicContact CB-CE2 3.89Å; K399-Y401 WeakPolarHBondContact O-CE2 3.47Å; Y401-H403 VanDerWaalsContact C-N 3.31Å; Y401-L407 HydrophobicContact CD2-CB 4.03Å; Y401-L407 HydrophobicContact CD2-CD1 3.91Å; Y401-L407 HydrophobicContact CE2-CD1 4.24Å; Y401-L407 HydrophobicContact CG-CB 4.38Å; Y401-H410 HydrophobicContact CE1-CB 4.43Å; Y401-H410 HydrophobicContact CE2-CB 3.86Å; Y401-H410 AromaticContact CE2-CD2 3.41Å; Y401-H410 VanDerWaalsContact CE2-CD2 3.41Å; Y401-H410 WeakPolarHBondContact CE2-CD2 3.46Å; Y401-H410 AromaticContact CE2-CG 3.82Å; Y401-H410 AromaticContact CZ-CD2 3.79Å; Y401-H410 AromaticContact CZ-CG 3.75Å; Y401-H410 WeakPolarHBondContact OH-CB 3.46Å; Y401-H410 PolarHBondContact OH-CD2 3.39Å
402T77.2Confident80Confident37 Ų3776.2 Ų76.223%0.22739%0.386CS..SBendtrans-79.8-9175.965.20000113.6H382 D387 K388H382-T402 WeakPolarHBondContact O-CB 3.15Å; H382-T402 VanDerWaalsContact O-CG2 3.31Å; H382-T402 WeakPolarHBondContact O-CG2 3.31Å; H382-T402 PolarHBondContact O-OG1 3.23Å; D387-T402 WeakPolarHBondContact O-CG2 3.44Å; K388-T402 HydrophobicContact CG-CG2 3.68Å
403H76.4Confident79.8Confident50 Ų5079.7 Ų79.723%0.23141%0.407CS..SBendtrans-148141.1-176.7-170.9-99.7000113.6Y401 S405 S406 L407Y401-H403 VanDerWaalsContact C-N 3.31Å; H403-S405 VanDerWaalsContact C-N 3.31Å; H403-S405 PolarHBondContact CE1-OG 3.32Å; H403-S405 VanDerWaalsContact CE1-OG 3.26Å; H403-S405 PolarHBondContact ND1-N 3.26Å; H403-S405 PolarHBondContact ND1-OG 3.05Å; H403-S405 PolarHBondContact O-N 3.24Å; H403-S406 WeakPolarHBondContact O-CB 3.07Å; H403-S406 PolarHBondContact O-N 3.42Å; H403-S406 VanDerWaalsContact O-N 3.08Å; H403-L407 PolarHBondContact O-N 2.81Å
404P77.1Confident79.6Confident34 Ų3475.9 Ų75.922%0.22139%0.391CS..Hα-helixtrans-62.9-31.2-173.2-20.830.1000114.6Y390 S406 L407 R408Y390-P404 HydrophobicContact CD1-CB 4.45Å; Y390-P404 HydrophobicContact CD1-CG 4.03Å; Y390-P404 HydrophobicContact CD2-CG 4.28Å; Y390-P404 HydrophobicContact CE1-CB 4.46Å; Y390-P404 HydrophobicContact CE1-CG 3.63Å; Y390-P404 HydrophobicContact CE2-CG 3.91Å; Y390-P404 HydrophobicContact CG-CG 4.34Å; P404-S406 VanDerWaalsContact C-N 3.26Å; P404-S406 PolarHBondContact O-N 2.91Å; P404-L407 PolarHBondContact O-N 3.06Å; P404-R408 WeakPolarHBondContact O-CB 3.27Å; P404-R408 PolarHBondContact O-N 3.1Å
405S79.9Confident79Confident48 Ų4875.9 Ų75.934%0.33639%0.393SS..Hα-helixtrans-70.3-24.8179.371.50000112.7H403 K409H403-S405 VanDerWaalsContact C-N 3.31Å; H403-S405 PolarHBondContact CE1-OG 3.32Å; H403-S405 VanDerWaalsContact CE1-OG 3.26Å; H403-S405 PolarHBondContact ND1-N 3.26Å; H403-S405 PolarHBondContact ND1-OG 3.05Å; H403-S405 PolarHBondContact O-N 3.24Å; S405-K409 VanDerWaalsContact O-CG 3.32Å; S405-K409 WeakPolarHBondContact O-CG 3.25Å; S405-K409 PolarHBondContact O-N 2.91Å
406S82.8Confident78.2Confident44 Ų4473 Ų7331%0.30839%0.387SS..Hα-helixtrans-74.7-44.4174.4-57.20000110.5H403 P404 R408 K409 H410H403-S406 WeakPolarHBondContact O-CB 3.07Å; H403-S406 PolarHBondContact O-N 3.42Å; H403-S406 VanDerWaalsContact O-N 3.08Å; P404-S406 VanDerWaalsContact C-N 3.26Å; P404-S406 PolarHBondContact O-N 2.91Å; S406-R408 PolarHBondContact O-N 3.03Å; S406-K409 WeakPolarHBondContact O-CB 3.35Å; S406-K409 PolarHBondContact O-N 3.18Å; S406-H410 PolarHBondContact O-N 3.38Å
407L83.1Confident76.5Confident33 Ų3372.4 Ų72.417%0.17337%0.37CS..Hα-helixtrans-57.3-47.2170.1178.865.5000111.2Y391 C392 Y401 H403 P404 K409 H410 M411Y391-L407 WeakPolarHBondContact O-CD1 3.23Å; Y391-L407 WeakPolarHBondContact O-CD2 3.42Å; C392-L407 HydrophobicContact CB-CD1 4.3Å; Y401-L407 HydrophobicContact CD2-CB 4.03Å; Y401-L407 HydrophobicContact CD2-CD1 3.91Å; Y401-L407 HydrophobicContact CE2-CD1 4.24Å; Y401-L407 HydrophobicContact CG-CB 4.38Å; H403-L407 PolarHBondContact O-N 2.81Å; P404-L407 PolarHBondContact O-N 3.06Å; L407-K409 VanDerWaalsContact C-N 3.32Å; L407-K409 PolarHBondContact O-N 2.91Å; L407-H410 CarbonylContact O-C 3.56Å; L407-H410 WeakPolarHBondContact O-CA 3.38Å; L407-H410 WeakPolarHBondContact O-CB 3.42Å; L407-H410 PolarHBondContact O-N 3.3Å; L407-M411 HydrophobicContact CD1-CE 3.44Å; L407-M411 VanDerWaalsContact CD1-CE 3.44Å; L407-M411 HydrophobicContact CD1-SD 4.23Å; L407-M411 HydrophobicContact CG-CE 4.27Å; L407-M411 WeakPolarHBondContact O-CG 3.47Å; L407-M411 PolarHBondContact O-N 3.31Å
408R83.1Confident74.3Confident107 Ų10777.3 Ų77.340%0.40440%0.402SS..Hα-helixtrans-63.3-32.6178.3-168.7-179.4-63.8140.73.6113.4P404 S406 Y463P404-R408 WeakPolarHBondContact O-CB 3.27Å; P404-R408 PolarHBondContact O-N 3.1Å; S406-R408 PolarHBondContact O-N 3.03Å; R408-Y463 HydrophobicContact CG-CE2 3.92Å
409K82.3Confident72.4Confident156 Ų15675.2 Ų75.268%0.67840%0.397SS*.Hα-helixtrans-66.5-43.7169.4-77.1172.7178.2-175.40110.9S405 S406 L407 K412S405-K409 VanDerWaalsContact O-CG 3.32Å; S405-K409 WeakPolarHBondContact O-CG 3.25Å; S405-K409 PolarHBondContact O-N 2.91Å; S406-K409 WeakPolarHBondContact O-CB 3.35Å; S406-K409 PolarHBondContact O-N 3.18Å; L407-K409 VanDerWaalsContact C-N 3.32Å; L407-K409 PolarHBondContact O-N 2.91Å; K409-K412 WeakPolarHBondContact O-CB 3.31Å; K409-K412 PolarHBondContact O-N 3.41Å
410H83.5Confident70.6Confident15 Ų1575.2 Ų75.27%0.06941%0.409CS..Hα-helixtrans-65.2-36.3179170.541000113.4C397 Y401 S406 L407 K412 V413 H414C397-H410 VanDerWaalsContact SG-CE1 3.55Å; C397-H410 PolarHBondContact SG-NE2 3.47Å; C397-H410 VanDerWaalsContact SG-NE2 3.39Å; Y401-H410 HydrophobicContact CE1-CB 4.43Å; Y401-H410 HydrophobicContact CE2-CB 3.86Å; Y401-H410 AromaticContact CE2-CD2 3.41Å; Y401-H410 VanDerWaalsContact CE2-CD2 3.41Å; Y401-H410 WeakPolarHBondContact CE2-CD2 3.46Å; Y401-H410 AromaticContact CE2-CG 3.82Å; Y401-H410 AromaticContact CZ-CD2 3.79Å; Y401-H410 AromaticContact CZ-CG 3.75Å; Y401-H410 WeakPolarHBondContact OH-CB 3.46Å; Y401-H410 PolarHBondContact OH-CD2 3.39Å; S406-H410 PolarHBondContact O-N 3.38Å; L407-H410 CarbonylContact O-C 3.56Å; L407-H410 WeakPolarHBondContact O-CA 3.38Å; L407-H410 WeakPolarHBondContact O-CB 3.42Å; L407-H410 PolarHBondContact O-N 3.3Å; H410-K412 PolarHBondContact O-N 3.47Å; H410-K412 VanDerWaalsContact O-N 3.09Å; H410-V413 VanDerWaalsContact O-CB 3.26Å; H410-V413 WeakPolarHBondContact O-CB 3.33Å; H410-V413 WeakPolarHBondContact O-CG2 3.45Å; H410-V413 PolarHBondContact O-N 2.97Å; H410-H414 AromaticContact CD2-NE2 3.61Å; H410-H414 AromaticContact CE1-CD2 3.81Å; H410-H414 AromaticContact CE1-NE2 2.79Å; H410-H414 PolarHBondContact CE1-NE2 2.89Å; H410-H414 AromaticContact ND1-NE2 3.94Å; H410-H414 AromaticContact NE2-CD2 3.91Å; H410-H414 AromaticContact NE2-NE2 2.47Å; H410-H414 PolarHBondContact NE2-NE2 3.36Å
411M79.9Confident68.5Low41 Ų4179 Ų7920%0.20243%0.432CS..Hα-helixtrans-58.4-27176.3-62.1-51.683.800112.7C392 L407 V413 H414 C415C392-M411 HydrophobicContact CB-CE 3.93Å; C392-M411 WeakPolarHBondContact SG-CE 3.49Å; L407-M411 HydrophobicContact CD1-CE 3.44Å; L407-M411 VanDerWaalsContact CD1-CE 3.44Å; L407-M411 HydrophobicContact CD1-SD 4.23Å; L407-M411 HydrophobicContact CG-CE 4.27Å; L407-M411 WeakPolarHBondContact O-CG 3.47Å; L407-M411 PolarHBondContact O-N 3.31Å; M411-V413 PolarHBondContact O-N 3.48Å; M411-H414 PolarHBondContact O-N 2.8Å; M411-C415 PolarHBondContact O-N 3.42Å
412K82.1Confident66.5Low119 Ų11980.9 Ų80.952%0.51745%0.454SS..Hα-helixtrans-71.2-6.1174-55.9-167.6177.1-160.50114.4K409 H410 K416K409-K412 WeakPolarHBondContact O-CB 3.31Å; K409-K412 PolarHBondContact O-N 3.41Å; H410-K412 PolarHBondContact O-N 3.47Å; H410-K412 VanDerWaalsContact O-N 3.09Å; K412-K416 WeakPolarHBondContact O-CD 3.19Å; K412-K416 VanDerWaalsContact O-CG 3.3Å; K412-K416 WeakPolarHBondContact O-CG 3.41Å
413V80.9Confident64.3Low85 Ų8583.9 Ų83.952%0.51548%0.482SS..Hα-helixtrans-82.1-42.4169.8-1760000109.9H410 M411 K416 S417H410-V413 VanDerWaalsContact O-CB 3.26Å; H410-V413 WeakPolarHBondContact O-CB 3.33Å; H410-V413 WeakPolarHBondContact O-CG2 3.45Å; H410-V413 PolarHBondContact O-N 2.97Å; M411-V413 PolarHBondContact O-N 3.48Å; V413-K416 WeakPolarHBondContact O-CA 3.38Å; V413-K416 WeakPolarHBondContact O-CB 3.42Å; V413-K416 PolarHBondContact O-N 2.83Å; V413-S417 PolarHBondContact O-N 3.4Å; V413-S417 VanDerWaalsContact O-N 3.14Å
414H76Confident62.3Low53 Ų5388 Ų8825%0.24551%0.506CS..Hα-helixtrans-67.2-38.4177-62.9-53.3000112.2C392 V394 C397 H410 M411 K416 S417C392-H414 PolarHBondContact SG-NE2 3.14Å; V394-H414 HydrophobicContact CG2-CB 4.16Å; V394-H414 VanDerWaalsContact CG2-CD2 3.5Å; V394-H414 WeakPolarHBondContact CG2-CD2 3.45Å; C397-H414 WeakPolarHBondContact CB-CE1 3.38Å; C397-H414 WeakPolarHBondContact CB-NE2 3.47Å; C397-H414 PolarHBondContact SG-CE1 3.28Å; C397-H414 PolarHBondContact SG-NE2 2.81Å; H410-H414 AromaticContact CD2-NE2 3.61Å; H410-H414 AromaticContact CE1-CD2 3.81Å; H410-H414 AromaticContact CE1-NE2 2.79Å; H410-H414 PolarHBondContact CE1-NE2 2.89Å; H410-H414 AromaticContact ND1-NE2 3.94Å; H410-H414 AromaticContact NE2-CD2 3.91Å; H410-H414 AromaticContact NE2-NE2 2.47Å; H410-H414 PolarHBondContact NE2-NE2 3.36Å; M411-H414 PolarHBondContact O-N 2.8Å; H414-K416 PolarHBondContact O-N 3.13Å; H414-S417 PolarHBondContact O-N 3.34Å; H414-S417 PolarHBondContact O-OG 3.39Å
415C66.6Low60.2Low62 Ų6290.5 Ų90.542%0.41953%0.529SS..THydrogen-bonded Turntrans-74.421.1168-75.10000114.1M411 C465M411-C415 PolarHBondContact O-N 3.42Å; C415-C465 VanDerWaalsContact CA-SG 3.51Å; C415-C465 WeakPolarHBondContact CB-SG 3.28Å; C415-C465 WeakPolarHBondContact SG-CB 3Å; C415-C465 CovalentContact SG-SG 2.04Å; C415-C465 PolarHBondContact SG-SG 3.18Å
416K57.6Low57.7Low179 Ų17994.2 Ų94.278%0.77856%0.556SS**THydrogen-bonded Turntrans-133.4-17.6172.9-80.4-175.6171.6-162.40113.9K412 V413 H414K412-K416 WeakPolarHBondContact O-CD 3.19Å; K412-K416 VanDerWaalsContact O-CG 3.3Å; K412-K416 WeakPolarHBondContact O-CG 3.41Å; V413-K416 WeakPolarHBondContact O-CA 3.38Å; V413-K416 WeakPolarHBondContact O-CB 3.42Å; V413-K416 PolarHBondContact O-N 2.83Å; H414-K416 PolarHBondContact O-N 3.13Å
417S39.2Very low55.1Low65 Ų65101.6 Ų101.646%0.45558%0.578SS.*SBendtrans-75.4140.8164.541.50000110.3V413 H414V413-S417 PolarHBondContact O-N 3.4Å; V413-S417 VanDerWaalsContact O-N 3.14Å; H414-S417 PolarHBondContact O-N 3.34Å; H414-S417 PolarHBondContact O-OG 3.39Å
418P35.4Very low52.7Low112 Ų112109.5 Ų109.573%0.72761%0.614SS**PPolyproline II helixtrans-61154.5167.428.7-34.6000110.3
419P37.9Very low50.1Low114 Ų114108.5 Ų108.574%0.7462%0.623SS**PPolyproline II helixtrans-62.1147.2177.727.4-34.9000110.8
420P43.1Very low47.6Very low116 Ų116106.6 Ų106.675%0.75363%0.63SS**PPolyproline II helixtrans-60141.916828.1-34.1000109.3S422P420-S422 PolarHBondContact O-N 3.03Å; P420-S422 VanDerWaalsContact O-N 3.13Å
421P34.4Very low45Very low130 Ų130112.3 Ų112.384%0.84467%0.666SS**PPolyproline II helixtrans-62.8118.6-178.125-33.4000110.4A423P421-A423 PolarHBondContact O-N 3.27Å; P421-A423 VanDerWaalsContact O-N 3.12Å
422S37Very low42.7Very low98 Ų98117.7 Ų117.769%0.68570%0.695SS**  trans-67.1107.8173.2-179.10000109.2P420 N424P420-S422 PolarHBondContact O-N 3.03Å; P420-S422 VanDerWaalsContact O-N 3.13Å; S422-N424 PolarHBondContact O-N 2.71Å; S422-N424 PolarHBondContact OG-OD1 3.46Å
423A32.7Very low40.6Very low100 Ų100117 Ų11783%0.82670%0.703SS**  trans-68.299.1170.400000108.8P421P421-A423 PolarHBondContact O-N 3.27Å; P421-A423 VanDerWaalsContact O-N 3.12Å
424N34.4Very low38Very low137 Ų137121.2 Ų121.273%0.73372%0.722SS**  trans-72.5138.3-177.6-83.2-5.8000112.3S422S422-N424 PolarHBondContact O-N 2.71Å; S422-N424 PolarHBondContact OG-OD1 3.46Å
425A31.4Very low35.8Very low86 Ų86122.8 Ų122.871%0.71175%0.752SS**  trans29.8121.7145.300000119.8
426S28.2Very low33.9Very low127 Ų127124.5 Ų124.589%0.88877%0.771SS**  trans-120.7133.4144.1-70.90000108.8
427Y29.2Very low33.1Very low199 Ų199121.3 Ų121.378%0.7877%0.768SS**  trans-73152.1179.9-85.6-113.7000111.8
428H31Very low32.5Very low198 Ų198125.9 Ų125.992%0.91779%0.787SS**  -162.5155.4115.2-101.5-72.2000110
429S28.9Very low32.2Very low87 Ų87125.9 Ų125.961%0.60879%0.789SS**  trans-117.4150.1-162.7-50.50000113.4
430S29.4Very low32.5Very low116 Ų116126.1 Ų126.181%0.81179%0.791SS**  trans68.3145.7163.3-48.10000115.1
431T30.2Very low31.6Very low135 Ų135125.3 Ų125.383%0.82879%0.794SS**  cis-147.9158.228.248.50000113.2
432N30.5Very low31.3Very low153 Ų153124.5 Ų124.582%0.81879%0.792SS**  trans-66.2165.3156.1-98-12000110.7
433P38.9Very low30.9Very low104 Ų104128.5 Ų128.568%0.67580%0.799SS**  cis-151.3177.240.344.3-23.9000119.5
434L27.1Very low31.6Very low175 Ų175127.7 Ų127.792%0.91679%0.786SS**  trans46.9124.4144.6-69.1162.9000121
435G28.1Very low31.4Very low85 Ų85128.5 Ų128.588%0.87679%0.785SS**  trans165.692.2160.800000116.6
436A26.5Very low31.3Very low98 Ų98134 Ų13481%0.8179%0.787SS**  trans-121.4165.7157.500000107.2
437P42.5Very low31.3Very low112 Ų112134.5 Ų134.573%0.72778%0.78SS**  cis-141.6-151.919.538.2-14.6000114.6
438L26.3Very low31.3Very low162 Ų162137 Ų13785%0.84879%0.788SS**  trans103.195.7160.8-54.7-178.4000119.1
439S28.9Very low31.3Very low111 Ų111132.9 Ų132.978%0.77678%0.781SS**  trans-79.2174.5140.8-26.20000109.3
440P43.3Very low31.3Very low119 Ų119133.2 Ų133.277%0.77379%0.789SS**  cis-151.6179.648.443.2-22.3000118.6
441A25.8Very low31.2Very low99 Ų99134.5 Ų134.582%0.81879%0.787SS**  trans66.4149.1161.300000117.7
442S27.7Very low31.2Very low114 Ų114135.4 Ų135.480%0.79779%0.786SS**  cis-149.4149.220.454.30000114.4
443E27.9Very low31Very low181 Ų181133.4 Ų133.485%0.84678%0.784SS**  trans-80.2-165160.7-54.1-158.9118.200111.1
444P47.8Very low30.8Very low84 Ų84134.3 Ų134.355%0.54579%0.79SS.*  cis-139.7164.6-836-15.4000117.9
445H29.6Very low31Very low153 Ų153134.6 Ų134.671%0.70879%0.787SS**  167.2130.3105.9-94.3-39.1000118.2
446R30Very low31.3Very low201 Ų201136.6 Ų136.676%0.75878%0.782SS**  trans72.8107134.2-73.1177.7171.4-173.2-1.4123.4
447N28.6Very low31.7Very low139 Ų139137.4 Ų137.474%0.74378%0.777SS**  70.7112.1118-608.3000121.8
448R28.8Very low31.2Very low252 Ų252137.9 Ų137.995%0.95177%0.773SS**  -153.516996.7-114.1-179.2178-169.1-1.1111.9
449S29.8Very low31.7Very low110 Ų110135.1 Ų135.177%0.76976%0.759SS**  trans-124-180-155.4-44.70000114.1
450A28.8Very low32.1Very low94 Ų94135 Ų13578%0.77775%0.749SS**  trans79.3116.8179.400000113.7
451N28.8Very low31.9Very low143 Ų143136.7 Ų136.777%0.76575%0.747SS**  cis67.6128.528.9-139.212.6000111.2
452L28.8Very low32.2Very low154 Ų154141 Ų14181%0.80674%0.742SS**  cis-132.916425.9-53.698.3000114.6
453S26.6Very low32.7Very low112 Ų112141.7 Ų141.778%0.78373%0.728SS**  trans-109.8131.7172.1-680000111.9
454P35Very low33.2Very low123 Ų123138.3 Ų138.380%0.79972%0.719SS**  trans-69.3134.9173.2-19.632.8000112.7V456P454-V456 PolarHBondContact O-N 2.98Å
455Q31.8Very low32.5Very low180 Ų180137.8 Ų137.884%0.84172%0.717SS**  trans-61.3120.5179-71.3-74.21.700112.2T457Q455-T457 PolarHBondContact O-N 2.98Å
456V33.5Very low32.6Very low127 Ų127140 Ų14077%0.7773%0.728SS**  trans-82.397.9173.4-179.80000109.2P454P454-V456 PolarHBondContact O-N 2.98Å
457T34.7Very low32.8Very low116 Ų116134 Ų13471%0.71273%0.729SS**  trans-58.4141.7176.945.30000112.1Q455 L459Q455-T457 PolarHBondContact O-N 2.98Å; T457-L459 PolarHBondContact O-N 2.77Å
458N32.8Very low33Very low122 Ų122132.6 Ų132.665%0.65273%0.73SS**  trans-63.3119.1-165.8-171.9-8.1000112.4N460N458-N460 WeakPolarHBondContact OD1-CB 2.88Å; N458-N460 PolarHBondContact OD1-N 2.68Å
459L36Very low33Very low103 Ų103124.8 Ų124.854%0.53973%0.727SS.*  trans-114.16.1179.7-106.1161.6000113.1T457T457-L459 PolarHBondContact O-N 2.77Å
460N37.7Very low32.8Very low109 Ų109123 Ų12358%0.58373%0.726SS**  trans-87.2-21-169.2-83.118.1000114.9N458 W462N458-N460 WeakPolarHBondContact OD1-CB 2.88Å; N458-N460 PolarHBondContact OD1-N 2.68Å; N460-W462 VanDerWaalsContact C-N 3.27Å; N460-W462 PolarHBondContact O-N 2.91Å; N460-W462 VanDerWaalsContact O-N 3.11Å
461E38.6Very low33.3Very low155 Ų155124 Ų12472%0.72473%0.725SS**THydrogen-bonded Turntrans-64.5-17.7-168.3-76.3-172141.200116.4
462W32.9Very low33.4Very low190 Ų190123.8 Ų123.872%0.7272%0.724SS**THydrogen-bonded Turntrans-117.88.6-161.9-80.184.4000116.9N460N460-W462 VanDerWaalsContact C-N 3.27Å; N460-W462 PolarHBondContact O-N 2.91Å; N460-W462 VanDerWaalsContact O-N 3.11Å
463Y37.8Very low33.3Very low128 Ų128125.1 Ų125.150%0.50273%0.725SS.*  trans-14057177.1-77.1-84.2000113.1R408 C465R408-Y463 HydrophobicContact CG-CE2 3.92Å; Y463-C465 PolarHBondContact O-N 3.29Å
464V38Very low33.3Very low109 Ų109126.6 Ų126.666%0.66172%0.724SS**  trans-73.7105.5163.6179.40000108.7Q466V464-Q466 PolarHBondContact O-N 2.61Å
465C33.5Very low32.9Very low74 Ų74129.4 Ų129.450%0.573%0.726SS.*  trans-68.2120.1154.8-120.30000106.5C415 Y463 G467C415-C465 VanDerWaalsContact CA-SG 3.51Å; C415-C465 WeakPolarHBondContact CB-SG 3.28Å; C415-C465 WeakPolarHBondContact SG-CB 3Å; C415-C465 CovalentContact SG-SG 2.04Å; C415-C465 PolarHBondContact SG-SG 3.18Å; Y463-C465 PolarHBondContact O-N 3.29Å; C465-G467 PolarHBondContact O-N 3.4Å
466Q32.7Very low32.7Very low199 Ų199126.7 Ų126.793%0.9372%0.722SS**SBendtrans-62.2119.3-170.1-70.9-173.9-8.200111.5V464V464-Q466 PolarHBondContact O-N 2.61Å
467G33.9Very low32.5Very low76 Ų76126.7 Ų126.778%0.78473%0.725SS**  trans177.424-175.200000116.5C465C465-G467 PolarHBondContact O-N 3.4Å
468S32.1Very low32Very low109 Ų109126.1 Ų126.176%0.76273%0.725SS**  trans-155.399177.659.60000112
469G29Very low31.7Very low87 Ų87125.7 Ų125.790%0.89773%0.732SS**  trans-107.761.6-173.500000115.4
470G25.1Very low31.1Very low72 Ų72127.6 Ų127.674%0.74274%0.743SS**  trans63.5-170.5167.200000117.2
471P39.7Very low30.6Very low115 Ų115129 Ų12975%0.74776%0.755SS**  cis-118.5165.8-1039.7-27.7000114.4
472N31.3Very low30.6Very low140 Ų140127.4 Ų127.475%0.74976%0.758SS**  trans44.4117.3154.9-59.9-7000120.8
473H27.1Very low30.2Very low181 Ų181124.3 Ų124.384%0.83876%0.76SS**  -152.7141.599.3-122.9-89.3000112.1
474L26Very low30Very low143 Ų143123.8 Ų123.875%0.74978%0.775SS**  trans-79.4143169.2-87.665.2000109.5
475H26.9Very low29.3Very low183 Ų183126 Ų12685%0.84778%0.783SS**  trans-152.5110.5139.5-99.6-67000110.3
476T26.8Very low29Very low122 Ų122127.3 Ų127.375%0.74879%0.793SS**  trans-89.1161.4152.148.90000108.9
477P29Very low28.8Very low128 Ų128126.2 Ų126.283%0.83179%0.794SS**  -117.5157.5128.334.4-32.2000111
478S24.9Very low28.5Very low103 Ų103130.9 Ų130.972%0.7280%0.795SS**  trans-100.6149.1175.3-161.90000111
479S26.4Very low28.4Very low114 Ų114131.3 Ų131.380%0.79779%0.785SS**  trans-156.1115.4160.259.60000109.4
480D24.4Very low28.2Very low143 Ų143135.1 Ų135.177%0.76579%0.785SS**  trans-74.9-177.6-179.1-59.5-94.9000113.7
481V26.2Very low28.4Very low138 Ų138135.2 Ų135.284%0.83678%0.775SS**  trans109.9122.9173.1-179.70000112.9
482P38Very low27.8Very low122 Ų122137.4 Ų137.479%0.79277%0.772SS**  trans-91.2149.7-167.935.8-36.2000113.8
483T25.6Very low27.7Very low124 Ų124140.9 Ų140.976%0.76178%0.775SS**  trans-121.5119.2160.750.50000109.8
484S32.9Very low27.8Very low117 Ų117139.7 Ų139.782%0.81878%0.775SS**  trans-68.7127.5161.550.50000109.3
485D24.1Very low27.9Very low155 Ų155138.2 Ų138.283%0.82978%0.777SS**  trans-123.6130.4163.2-94.4-49.7000110.3
486S27.3Very low27.9Very low102 Ų102136.4 Ų136.471%0.71377%0.773SS**  trans-93.3121.6-179.746.80000110.8E488S486-E488 PolarHBondContact O-N 3.12Å
487D27.5Very low28.4Very low177 Ų177136 Ų13695%0.94777%0.773SS**  trans-9369.8163.2-84.8-36.7000110.1
488E27.8Very low28.4Very low174 Ų174141.4 Ų141.481%0.81378%0.777SS**  trans-88.5143.1145.7-66.3-160.4145.500106.9S486S486-E488 PolarHBondContact O-N 3.12Å
489E29.6Very low28.6Very low117 Ų117142.8 Ų142.855%0.54778%0.781SS.*  cis-137.5167.87.4-101.9-12378.700109.6S491E489-S491 WeakPolarHBondContact OE1-CB 3.44Å; E489-S491 PolarHBondContact OE1-N 2.74Å; E489-S491 PolarHBondContact OE1-OG 3.08Å
490D25.7Very low28.9Very low167 Ų167146.1 Ų146.189%0.89379%0.786SS**  -160.259127-138-7.8000110.2
491S28.8Very low29.2Very low75 Ų75150.9 Ų150.952%0.52481%0.81SS.*  trans-69.4129.6150.1-44.40000106.6E489E489-S491 WeakPolarHBondContact OE1-CB 3.44Å; E489-S491 PolarHBondContact OE1-N 2.74Å; E489-S491 PolarHBondContact OE1-OG 3.08Å
492F27.4Very low29.4Very low160 Ų160151.5 Ų151.570%0.70281%0.809SS**  -174.4121.3126.8-99-65.5000112.6
493R29.8Very low28.9Very low213 Ų213153.1 Ų153.180%0.80481%0.81SS**  trans7.6136.9146.3-59.3175.3179.6170.1-1.2118.6S495R493-S495 PolarHBondContact O-N 2.66Å
494N28.6Very low29.1Very low156 Ų156154.7 Ų154.783%0.83481%0.812SS**  trans-53.9132.2147.7-68.1-10.3000109.7
495S27.7Very low28.9Very low113 Ų113156.9 Ų156.979%0.7981%0.812SS**  trans-122.3103.6160.452.30000108.1R493R493-S495 PolarHBondContact O-N 2.66Å
496D28.3Very low29.2Very low144 Ų144157 Ų15777%0.7781%0.811SS**  trans-66.7141.9174.6-72.2-68.3000110.8
497P35.6Very low29.3Very low115 Ų115160.7 Ų160.775%0.74782%0.817SS**  trans-87.6146.4-177.733.7-34.4000113
498R28.9Very low29.4Very low241 Ų241159.5 Ų159.591%0.90981%0.808SS**  trans79.4143.3-176.1-56.8174.5165.5145.2-4.5112.9
499T30.6Very low29.6Very low131 Ų131158.4 Ų158.480%0.80481%0.808SS**  cis-132.214626.7-57.60000113.2
500M32.7Very low29.6Very low184 Ų184161.8 Ų161.891%0.90683%0.83SS**  trans-99.5121.4158.7-83.5-177.4162.900109
501L30.8Very low29.9Very low243 Ų243161.4 Ų161.4100%1.27282%0.824SS**  trans-173.80146-105.7161.9000108.6

Retrieved 501 of 501 residues in 70.1 ms (Link to these results)