A0A096NUL7_PAPAN Loading...

Insulinoma-associated protein 2

May function as a growth suppressor or tumor suppressor in liver cells and in certain neurons.

AlphaFold DB (A0A2K5L223), UniProt , Accession A0A096NUL7, Species PAPAN (Papio anubis, Olive baboon), Gene INSM2, Length 568 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.7Very low44.9Very low234 Ų234174.8 Ų174.8100%1.15386%0.864SS**  0148.50-76.7-62.1179.100108
2P58.1Low44.5Very low106 Ų106180.6 Ų180.669%0.68887%0.869SS**  cis-121.6171.118.239.8-27000116.2
3R43.7Very low44.2Very low235 Ų235176.5 Ų176.589%0.88786%0.863SS**  trans25.6120.2140.9-54.5165.8-171.9-179.70.9117.5
4G42.4Very low43.7Very low70 Ų70169.1 Ų169.172%0.72285%0.854SS**  cis106.7118.54.300000113.6
5F41.5Very low42.9Very low213 Ų213166.2 Ų166.293%0.93485%0.854SS**  trans-145.7141.4167.6-107.9-80.7000111.1
6L44.3Very low42.5Very low167 Ų167162.4 Ų162.487%0.87485%0.846SS**  trans-78.2132.4-172.7-10068000113.4K8L6-K8 PolarHBondContact O-N 3.06Å
7V48.8Very low42.2Very low139 Ų139164.5 Ų164.584%0.84284%0.842SS**  trans-71.9114161.8177.90000109.1R9V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 PolarHBondContact O-N 3.16Å
8K42.7Very low41.9Very low199 Ų199168.2 Ų168.287%0.86584%0.844SS**  trans-74.772.1-175-166172.1-176.8174.30112.4L6 T10L6-K8 PolarHBondContact O-N 3.06Å; K8-T10 PolarHBondContact O-N 3.22Å
9R40.2Very low41.7Very low235 Ų235165.4 Ų165.489%0.88784%0.836SS**  trans-57.6118.8175.2-136.2175-171.2161.12109.6V7 K11V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 PolarHBondContact O-N 3.16Å; R9-K11 PolarHBondContact O-N 3.41Å
10T43.1Very low41.4Very low136 Ų136169 Ų16983%0.83484%0.839SS**  trans-72.796.5-175.735.30000111.4K8 R12K8-T10 PolarHBondContact O-N 3.22Å; T10-R12 PolarHBondContact O-N 3.29Å
11K41Very low41.2Very low189 Ų189167.7 Ų167.782%0.82283%0.834SS**  trans-58.598.7175.9-177.1180-178.7179.30110.7R9 T13R9-K11 PolarHBondContact O-N 3.41Å; K11-T13 PolarHBondContact O-N 3.06Å
12R40.9Very low40.6Very low244 Ų244161 Ų16192%0.92182%0.816SS**PPolyproline II helixtrans-65.8123.6159.6-81.3-171.5173.9-173.4-1.4108T10 G14T10-R12 PolarHBondContact O-N 3.29Å; R12-G14 PolarHBondContact O-N 3.35Å
13T39.7Very low39.6Very low128 Ų128163.3 Ų163.379%0.78582%0.818SS**PPolyproline II helixtrans-68.3118.1178.3-360000109.3K11 C15K11-T13 PolarHBondContact O-N 3.06Å; T13-C15 PolarHBondContact O-N 3.42Å
14G38.1Very low39.1Very low72 Ų72161.4 Ų161.474%0.74282%0.819SS**PPolyproline II helixtrans-70116.5171.900000109.8R12 S16R12-G14 PolarHBondContact O-N 3.35Å; G14-S16 PolarHBondContact O-N 2.85Å
15C32Very low38.6Very low126 Ų126163.3 Ų163.385%0.85182%0.816SS**  trans-79.5101.8174-161.50000108.9T13 Y17T13-C15 PolarHBondContact O-N 3.42Å; C15-Y17 PolarHBondContact O-N 3.22Å
16S35.8Very low38.2Very low105 Ų105161.4 Ų161.473%0.73481%0.808SS**  trans-74.1102.2176.9177.40000109.9G14 R18G14-S16 PolarHBondContact O-N 2.85Å; S16-R18 PolarHBondContact O-N 3.22Å
17Y37.6Very low38.2Very low198 Ų198159.2 Ų159.278%0.77680%0.804SS**  trans-74.9115.8165.967.9-86.4000108.4C15 V19C15-Y17 PolarHBondContact O-N 3.22Å; Y17-V19 HydrophobicContact CD2-CG2 3.92Å; Y17-V19 HydrophobicContact CE2-CG2 3.81Å
18R36.2Very low37.7Very low232 Ų232159.8 Ų159.888%0.87580%0.801SS**  trans-82.7114.3162.8-82.2-166.2173-145.40.3108.1S16 R20S16-R18 PolarHBondContact O-N 3.22Å; R18-R20 PolarHBondContact O-N 2.71Å
19V39.2Very low37.3Very low114 Ų114159 Ų15969%0.69181%0.805SS**  trans-61121.9163.5179.90000107.5Y17Y17-V19 HydrophobicContact CD2-CG2 3.92Å; Y17-V19 HydrophobicContact CE2-CG2 3.81Å
20R34.5Very low37Very low237 Ų237150.9 Ų150.989%0.89480%0.795SS**  trans-89.7109.4159.8-80.4-174.2171.2178.1-3.1107R18 A22R18-R20 PolarHBondContact O-N 2.71Å; R20-A22 PolarHBondContact O-N 3.38Å
21L37.2Very low37.4Very low142 Ų142150.6 Ų150.674%0.74380%0.795SS**  trans-64.6124.4160.8-163.477.5000106.7E23L21-E23 HydrophobicContact CD2-CG 3.93Å; L21-E23 HydrophobicContact CG-CG 4.34Å
22A35.9Very low36.9Very low93 Ų93151 Ų15177%0.76980%0.8SS**  trans-112.794.4170.600000106.7R20R20-A22 PolarHBondContact O-N 3.38Å
23E36.7Very low36.4Very low155 Ų155142.6 Ų142.672%0.72479%0.79SS**  trans-67.2130.9170.6-62.2175.5123.300108.4L21L21-E23 HydrophobicContact CD2-CG 3.93Å; L21-E23 HydrophobicContact CG-CG 4.34Å
24H33.5Very low36.2Very low196 Ų196141.4 Ų141.491%0.90779%0.793SS**  trans-132.1127158-114.3-88.3000108
25V32.8Very low36.4Very low109 Ų109143.7 Ų143.766%0.66180%0.795SS**  trans-126.9123.8-157.6136.20000108.4
26F31.3Very low37.4Very low173 Ų173143.6 Ų143.676%0.75979%0.793SS**  trans71.5163.2161.8-80.2-122.4000117.1L28F26-L28 HydrophobicContact CE1-CD1 4.49Å
27P45.1Very low37Very low122 Ų122147.6 Ų147.679%0.79280%0.797SS**  cis-114.9167.24.534.4-18.7000116.3
28L38Very low36.6Very low150 Ų150144.6 Ų144.679%0.78579%0.794SS**  trans-76.4146.2173.1-67.6156.8000111.9F26F26-L28 HydrophobicContact CE1-CD1 4.49Å
29L33.6Very low36.4Very low182 Ų182141.3 Ų141.395%0.95379%0.788SS**  trans-140.6146.7147.9-94.6173.4000109.3
30G35.2Very low35.8Very low66 Ų66143.3 Ų143.368%0.6879%0.79SS**  trans-92.8178.9-166.200000116.2
31P50.3Low35.7Very low129 Ų129135.1 Ų135.184%0.83877%0.773SS**  trans-90.7141.6-168.834.9-35.3000115.3
32Q31.7Very low36Very low197 Ų197133.1 Ų133.192%0.92177%0.769SS**  trans-149.8145.5161.8-65.9-78.619.700105.1
33G29.2Very low35.6Very low69 Ų69140.3 Ų140.371%0.71178%0.776SS**  cis173.4143.5-6.600000107.7
34A35.3Very low35.1Very low103 Ų103137.4 Ų137.485%0.85178%0.779SS**  trans-80.2146174.500000110.7
35P44.2Very low35Very low119 Ų119133.6 Ų133.677%0.77377%0.774SS**  -153.6-157.4105.636.5-14.1000112.6
36P51.1Low35Very low124 Ų124136.3 Ų136.381%0.80578%0.784SS**  -125.8-161.7-66.739-23.5000113.3
37F28Very low35.5Very low189 Ų189134.4 Ų134.483%0.82979%0.789SS**  trans-111.6-176.6177.8-148.4-100.1000110.9
38L30Very low34.7Very low136 Ų136131.3 Ų131.371%0.71278%0.78SS**  trans73.7155173.4-55.8169.3000115.5
39E30.5Very low34.3Very low162 Ų162130.7 Ų130.776%0.75778%0.782SS**  cis-167.9175.3-31.4-123.2163.1-149.300106.8
40E27.1Very low34.1Very low156 Ų156128.4 Ų128.473%0.72977%0.766SS**  cis-148.5-170.62.8-150.4-92.196.100107.7
41A32.9Very low33.9Very low65 Ų65136 Ų13654%0.53777%0.774SS.*  trans-81.3-177.5163.600000111.8
42P43.6Very low32.8Very low101 Ų101134.2 Ų134.266%0.65677%0.771SS**  -157.715172.939.2-16.6000120.1
43R28.2Very low32.7Very low244 Ų244129.3 Ų129.392%0.92176%0.764SS**  trans74.5163.5139-72.6174.6177.4-146.9-2.2123.7
44A26.3Very low34Very low94 Ų94131.8 Ų131.878%0.77777%0.768SS**  trans77132.9170.900000117.6
45S29.6Very low34.7Very low116 Ų116132.4 Ų132.481%0.81176%0.763SS**  cis-157.6160.2-7.5-890000112.6
46L34.5Very low34Very low166 Ų166132.4 Ų132.487%0.86976%0.761SS**  trans-91.5163.2163.6-69.6175.1000109.6
47P41.2Very low33.1Very low132 Ų132136.8 Ų136.886%0.85776%0.762SS**  cis-139.8-173.14636.1-13.3000115
48G28.7Very low33Very low58 Ų58135 Ų13560%0.59876%0.755SS**  cis164.1-174.6-6.700000112.5
49T29.9Very low33.2Very low137 Ų137136.7 Ų136.784%0.8476%0.76SS**  trans63.5147.8168.633.30000118.9
50E28.5Very low34.1Very low133 Ų133134.3 Ų134.362%0.62176%0.759SS**  cis-163.3145.6-12.5-156.9-169.4133.500111.4
51R30.2Very low34.3Very low225 Ų225130.3 Ų130.385%0.84976%0.759SS**  trans55.2170.3154.6-108141.7158.4-171.8-4.8119.5
52A27.4Very low34.3Very low93 Ų93137.7 Ų137.777%0.76978%0.779SS**  cis-140.5-175.2-5.400000110.9
53A31.1Very low33.5Very low94 Ų94136.3 Ų136.378%0.77778%0.783SS**  trans-120.6-177-174.100000112.7
54P56.5Low33.8Very low121 Ų121132.1 Ų132.179%0.78678%0.778SS**  trans-93.5-169.6-150.741.1-40.8000115.2
55P48.4Very low33.9Very low115 Ų115133.5 Ų133.575%0.74778%0.777SS**  -154.3166.8101.242.9-25.2000119.5
56T29.4Very low34Very low120 Ų120135.9 Ų135.974%0.73678%0.775SS**  trans9.9127.3150.359.40000125.3
57R32.3Very low33.9Very low216 Ų216135.6 Ų135.682%0.81577%0.769SS**  63.3155100.4-143.6-177.8-163.4-122.614.3122.5
58E27.8Very low33.6Very low150 Ų150133 Ų13370%0.70176%0.759SS**  trans106.9157160.9-51.5-72.6112.600118
59E34.1Very low33.7Very low173 Ų173134.4 Ų134.481%0.80877%0.765SS**  trans-132.2-171.4-171.8-93.3-88.7153.800108
60P49.3Very low33.6Very low112 Ų112139.7 Ų139.773%0.72777%0.769SS**  cis-134.4166.3-18.535.2-16.7000116.5
61G30.8Very low33.7Very low71 Ų71141 Ų14173%0.73278%0.775SS**  98.3153.312500000125.3
62K31.5Very low33.9Very low221 Ų221137.3 Ų137.396%0.96177%0.772SS**  trans87142.1155.6-63.6-173.7178.5-179.70122.7
63G27.9Very low34.3Very low71 Ų71138 Ų13873%0.73277%0.771SS**  trans120.8144.4166.700000114.1
64L34.1Very low34.1Very low157 Ų157137.2 Ų137.282%0.82277%0.772SS**  174.6140.2-51.2-98.7175000106.9
65T29.1Very low33.1Very low122 Ų122137.1 Ų137.175%0.74877%0.774SS**  trans65.7157.2153.845.10000119.8
66E31.4Very low33.2Very low167 Ų167137.8 Ų137.878%0.7878%0.778SS**  cis-159.3164.314.1-138.8172168.800114.8
67E33Very low33.1Very low159 Ų159137.7 Ų137.774%0.74378%0.781SS**  trans51.7156.9150.5-83.6-77.676.300122.6
68A33.2Very low33Very low79 Ų79139.3 Ų139.365%0.65379%0.787SS**  cis-154143.5-6.100000107.4
69A31.9Very low33Very low86 Ų86136.1 Ų136.171%0.71179%0.787SS**  cis97.4114.841.200000115.2
70R27.8Very low32.7Very low248 Ų248133.2 Ų133.294%0.93679%0.792SS**  trans-179.487.1151.6-110.2177156.4-176.9-7.3118
71E30.1Very low31.7Very low161 Ų161131 Ų13175%0.75279%0.79SS**  43.5148.7114.3-87.7-58.9101.600127.6
72L35.6Very low31.6Very low148 Ų148134.7 Ų134.778%0.77580%0.798SS**  trans69.8154.1162.6-60.7170.8000120.6
73S34.5Very low31.7Very low108 Ų108129.4 Ų129.476%0.75579%0.789SS**  cis-176.3156.1-31.562.60000111.7
74G27.5Very low32.8Very low76 Ų76132.3 Ų132.378%0.78480%0.795SS**  trans121.9150.5146.800000121
75S35.2Very low32.5Very low120 Ų120128.3 Ų128.384%0.83979%0.791SS**  trans-146.1164.4165.6-50.40000107
76P50.1Low32.7Very low128 Ų128127.4 Ų127.483%0.83180%0.796SS**  -151.9-128.464.540.9-16.1000115.2
77C28.3Very low32.5Very low119 Ų119123.6 Ų123.680%0.80480%0.802SS**  trans-122.9-175.3-147.9-440000116.7
78R30.5Very low32.4Very low249 Ų249119.5 Ų119.594%0.9480%0.802SS**  trans83.3158.8173.6-70.4-173.5162.4-157.2-2.6117
79A27.2Very low32.4Very low84 Ų84125.8 Ų125.869%0.69481%0.809SS**  cis-174.2159.7-30.700000110.6
80A28.5Very low32.4Very low111 Ų111129 Ų12992%0.91781%0.809SS**  trans65.3156174.600000116.3
81G27Very low32.6Very low65 Ų65120.5 Ų120.567%0.6780%0.799SS**  cis172.7-167-6.600000112.7
82V28.6Very low32.7Very low149 Ų149117.6 Ų117.690%0.90380%0.803SS**  trans80.4133.5169.5-177.90000117.9
83S34.6Very low32.5Very low110 Ų110118.2 Ų118.277%0.76980%0.802SS**  trans-103.7-144.8178.8-420000109
84P50.3Low32.3Very low133 Ų133125.3 Ų125.386%0.86481%0.812SS**  cis-135.5-177.6-1541.9-24.4000115.6
85G27.3Very low32.6Very low73 Ų73132.6 Ų132.675%0.75382%0.816SS**  trans140.8156.7146.900000116
86A33Very low32.5Very low103 Ų103131.6 Ų131.685%0.85182%0.815SS**  cis-167.5147-21.100000110.6
87G28.7Very low31.6Very low87 Ų87129.4 Ų129.490%0.89782%0.816SS**  trans77157.5178.400000114.4
88G30.2Very low31.7Very low73 Ų73127.4 Ų127.475%0.75382%0.815SS**  cis146.5149.2300000109
89R34.2Very low32Very low211 Ų211125.9 Ų125.980%0.79681%0.809SS**  cis-150178.54.7-70.3174.462.4174.5-0.8110.2
90E31.7Very low32.3Very low152 Ų152129.4 Ų129.471%0.7181%0.812SS**  trans-14.5154.9152-51.9116.2-159.300118.1
91G30.4Very low32.6Very low70 Ų70127.6 Ų127.672%0.72280%0.804SS**  cis169.2-164.46.800000112.1
92A33.3Very low33.8Very low101 Ų101131 Ų13184%0.83581%0.814SS**  trans66.8126.3-172.800000115.1
93E31.6Very low34Very low161 Ų161127.4 Ų127.475%0.75281%0.807SS**  cis83.6109.533.3-166.3178.9141.600115.3
94W30.4Very low34.8Very low256 Ų256127.9 Ų127.997%0.9781%0.807SS**  trans-154.5157.3138.6-87.7108.5000109.4
95R33.4Very low33.9Very low230 Ų230126.9 Ų126.987%0.86880%0.803SS**  trans-131118.4-164.7176.7-160.3-71.8-112.90.5114.2
96A33.4Very low34.1Very low99 Ų99134.9 Ų134.982%0.81881%0.811SS**  trans-163.7138.4147.800000106.5
97G30Very low34.4Very low82 Ų82135.4 Ų135.485%0.84581%0.808SS**  cis107.1109.824.300000109
98G31.3Very low35.3Very low77 Ų77137.1 Ų137.179%0.79480%0.804SS**  cis156.8120.2-9.700000112
99R36Very low35.4Very low216 Ų216137.3 Ų137.382%0.81581%0.806SS**  trans-159.7107.9162.1-122.3-175.1179.7-64.3-12.9113.3
100E34Very low35.9Very low159 Ų159133.3 Ų133.374%0.74381%0.807SS**  trans26.1123.2137-54.8177125.800119.9
101G34.3Very low36.1Very low73 Ų73131.2 Ų131.275%0.75381%0.809SS**  trans-132.5175.514200000109.3
102P52.6Low36.8Very low136 Ų136133.5 Ų133.588%0.88381%0.812SS**  trans-124.3150.6149.435.8-26.8000112.3
103G33.8Very low36.8Very low73 Ų73134.4 Ų134.475%0.75381%0.811SS**  trans-89.6-144.3172.100000112.4
104P50.1Low37.8Very low120 Ų120132.8 Ų132.878%0.77982%0.815SS**  cis-137.6170.822.842-25.2000117.4
105S31.4Very low37.9Very low112 Ų112124.9 Ų124.978%0.78380%0.804SS**  trans72.2153.7160.386.70000116.9
106R31.6Very low38.1Very low241 Ų241123.5 Ų123.591%0.90980%0.804SS**  cis-154.4137.43.5-152174.6177.1-154.71.1110.8
107S38.9Very low38.6Very low114 Ų114124.7 Ų124.780%0.79780%0.804SS**  trans-141.1152.5174.8-630000107.6
108P47.6Very low38.9Very low123 Ų123126 Ų12680%0.79981%0.807SS**  -155.1126.862.937.5-14.4000119.2
109G33.7Very low39.6Very low77 Ų77126.5 Ų126.579%0.79481%0.812SS**  trans49.5-162.3147.600000120.4
110P44.9Very low40.2Very low128 Ų128119.2 Ų119.283%0.83180%0.798SS**  cis-110.9179.3-20.240.4-29.6000112.5
111S36Very low40.6Very low107 Ų107117.9 Ų117.975%0.74879%0.791SS**  trans-80.2160163.753.50000111.5
112P44.4Very low41.1Very low119 Ų119121.8 Ų121.877%0.77380%0.795SS**  -144.7156.5111.138.4-25.5000115.1
113S34.4Very low40.9Very low119 Ų119125.4 Ų125.483%0.83279%0.79SS**  trans-95.4145.6166.3-50.40000111.2
114P50.8Low41.5Very low128 Ų128129.8 Ų129.883%0.83178%0.784SS**  trans-119.8171144.935.2-25.6000111.3
115A32.5Very low41.4Very low89 Ų89127 Ų12774%0.73677%0.771SS**  trans-132.7143.5-165.300000115
116K38.3Very low42.1Very low201 Ų201128.5 Ų128.587%0.87476%0.764SS**  trans67.9166.2165.3-61173.4-179.51740116.2
117P44.9Very low43Very low125 Ų125122.5 Ų122.581%0.81275%0.749SS**  cis-125153.9-27.332.3-16.6000113.4
118A34.3Very low43.4Very low110 Ų110124.3 Ų124.391%0.90975%0.745SS**  trans-13983173.100000112.2
119G46.2Very low43.3Very low87 Ų87128.4 Ų128.490%0.89775%0.745SS**  trans-118.738.9-172.400000115.4
120A48.6Very low43.9Very low63 Ų63128.7 Ų128.752%0.52173%0.734SS.*SBendtrans-137.1-47.1-176.200000114.4L122 R123A120-L122 PolarHBondContact O-N 3.49Å; A120-R123 PolarHBondContact O-N 3.18Å
121E43.2Very low43.7Very low130 Ų130130.4 Ų130.461%0.60774%0.735SS**THydrogen-bonded Turntrans-61-38.9-166.8-70.8-62.49500115.2R123 R124 A125E121-R123 PolarHBondContact O-N 3.27Å; E121-R124 PolarHBondContact O-N 3.28Å; E121-R124 IonicContact OE1-NH1 3.76Å; E121-R124 PolarHBondContact OE1-NH1 3.14Å; E121-A125 PolarHBondContact O-N 3.46Å
122L45.6Very low43.8Very low156 Ų156128.8 Ų128.882%0.81772%0.724SS**Hα-helixtrans-61.8-16.9-175.5-159.569.1000113.7A120A120-L122 PolarHBondContact O-N 3.49Å
123R47.6Very low43.3Very low211 Ų211128.7 Ų128.780%0.79673%0.726SS**Hα-helixtrans-85.9-19.7174.1-76.2-175.3171.8168.7-0.9114.4A120 E121 L127A120-R123 PolarHBondContact O-N 3.18Å; E121-R123 PolarHBondContact O-N 3.27Å; R123-L127 WeakPolarHBondContact O-CG 3.46Å
124R46.3Very low43.7Very low166 Ų166128.8 Ų128.863%0.62672%0.724SS**Hα-helixtrans-77.6-50.7173.2-70.9-174.2174115.6-2.4110.9E121 F126 L127 E128E121-R124 PolarHBondContact O-N 3.28Å; E121-R124 IonicContact OE1-NH1 3.76Å; E121-R124 PolarHBondContact OE1-NH1 3.14Å; R124-F126 PolarHBondContact O-N 3.04Å; R124-F126 VanDerWaalsContact O-N 3.14Å; R124-L127 PolarHBondContact O-N 2.97Å; R124-E128 PolarHBondContact O-N 2.92Å
125A48.5Very low42.7Very low61 Ų61129.5 Ų129.550%0.50473%0.725SS.*Hα-helixtrans-56.4-31.617800000113.6E121E121-A125 PolarHBondContact O-N 3.46Å
126F47Very low42.7Very low144 Ų144130 Ų13063%0.63272%0.724SS**Hα-helixtrans-71.7-38174.7-173.6-96.8000113.2R124 C130R124-F126 PolarHBondContact O-N 3.04Å; R124-F126 VanDerWaalsContact O-N 3.14Å; F126-C130 PolarHBondContact O-SG 2.77Å; F126-C130 VanDerWaalsContact O-SG 3.35Å
127L50.2Low42.5Very low114 Ų114125.1 Ų125.160%0.59772%0.721SS**Hα-helixtrans-78.2-37-177.9-72170.8000112.6R123 R124 R129 C130R123-L127 WeakPolarHBondContact O-CG 3.46Å; R124-L127 PolarHBondContact O-N 2.97Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.97Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 3.3Å
128E47.1Very low41.8Very low152 Ų152127.6 Ų127.671%0.7172%0.721SS**Hα-helixtrans-63.8-36178.1-168.8171.1-162.600112.1R124 C130 L131 S132R124-E128 PolarHBondContact O-N 2.92Å; E128-C130 PolarHBondContact O-N 3.3Å; E128-L131 PolarHBondContact O-N 2.94Å; E128-S132 PolarHBondContact O-OG 3.29Å; E128-S132 VanDerWaalsContact O-OG 3.06Å
129R45.9Very low41.8Very low209 Ų209128 Ų12879%0.78972%0.718SS**THydrogen-bonded Turntrans-75.9-1174.2-161164-17781.21.6114.2L127L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.97Å
130C45.5Very low41Very low84 Ų84133.2 Ų133.257%0.56872%0.716SS**THydrogen-bonded Turntrans-100.5-2.8173.4-70.70000114.2F126 L127 E128F126-C130 PolarHBondContact O-SG 2.77Å; F126-C130 VanDerWaalsContact O-SG 3.35Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 3.3Å; E128-C130 PolarHBondContact O-N 3.3Å
131L40.9Very low41.2Very low163 Ų163136.1 Ų136.185%0.85373%0.729SS**SBendtrans-117.89.1-179.5-64.9177.6000113.8E128E128-L131 PolarHBondContact O-N 2.94Å
132S38.4Very low40.6Very low73 Ų73133.8 Ų133.851%0.5174%0.741SS.*  trans-121.485.6-175.436.50000112E128E128-S132 PolarHBondContact O-OG 3.29Å; E128-S132 VanDerWaalsContact O-OG 3.06Å
133S33.2Very low39.8Very low117 Ų117130.4 Ų130.482%0.81874%0.743SS**  trans-145.893.2169.8-74.30000111.9
134P43.3Very low39.2Very low122 Ų122125.4 Ų125.479%0.79275%0.747SS**  trans-76131.9158.632.1-30.2000109.2
135V29.7Very low38.5Very low143 Ų143122.1 Ų122.187%0.86776%0.755SS**  trans-12080.7165.957.80000109
136S32.5Very low37.9Very low100 Ų100123.3 Ų123.370%0.69977%0.765SS**PPolyproline II helixtrans-70.3131.7164.6-60.60000108.6
137A33.6Very low37.2Very low98 Ų98123.4 Ų123.481%0.8178%0.777SS**PPolyproline II helixtrans-83.7117.5170.900000109.3
138E30.7Very low36.6Very low176 Ų176123.1 Ų123.182%0.82279%0.792SS**PPolyproline II helixtrans-96117.8177.9-61.1-170.5120.100110.2
139S34Very low36.1Very low119 Ų119120.4 Ų120.483%0.83280%0.795SS**PPolyproline II helixtrans-84.5137-179.9-630000111.8
140F30.1Very low35.4Very low196 Ų196120.4 Ų120.486%0.8680%0.801SS**PPolyproline II helixtrans-90.8154.2168.1-81.7-87.5000111.9
141P51.8Low35.1Very low124 Ų124121.1 Ų121.181%0.80581%0.807SS**PPolyproline II helixtrans-99.4160.4-15637.7-37.2000115.5
142G30Very low34.7Very low82 Ų82118.5 Ų118.585%0.84580%0.801SS**  trans170133.3160.100000115.9
143G30.3Very low34.6Very low85 Ų85120 Ų12088%0.87681%0.812SS**  trans97.198.7155.500000117.6
144A34.1Very low34.5Very low105 Ų105121.5 Ų121.587%0.86882%0.816SS**  trans-67.5156.2175.400000115.5
145A32.7Very low34.1Very low97 Ų97119.8 Ų119.880%0.80281%0.812SS**  -179.4157.4114.900000114.2
146A34.2Very low35.5Very low86 Ų86119.1 Ų119.171%0.71181%0.811SS**  trans45.898.5156.700000119.5
147V34Very low35.3Very low146 Ų146118.9 Ų118.989%0.88582%0.815SS**  62.499.480.4-56.90000117.7
148A35.9Very low35.3Very low109 Ų109119.1 Ų119.190%0.90182%0.817SS**  trans-161.6139.213500000108.4
149A37.4Very low35.5Very low95 Ų95115 Ų11579%0.78581%0.813SS**  trans-128.4140.8178.500000110.4
150F30.9Very low36.2Very low208 Ų208115.6 Ų115.691%0.91281%0.814SS**  trans-152121.2153.1-138.3-95.1000112.1
151S38.4Very low36.5Very low99 Ų99112.8 Ų112.869%0.69281%0.813SS**  trans-109.1165.5164-59.60000107.2
152C33.2Very low35.8Very low109 Ų109113.1 Ų113.174%0.73682%0.818SS**  cis-162.316916-144.20000110.8
153S37.4Very low35.9Very low105 Ų105111.9 Ų111.973%0.73481%0.805SS**  trans48.4136.4144.7-570000123
154V31.2Very low36.3Very low147 Ų147115.6 Ų115.689%0.89180%0.8SS**  -174.3153.9116.9141.40000111.4
155A34.7Very low36.5Very low87 Ų87118.5 Ų118.572%0.71980%0.795SS**  trans-158.3-175.8175.700000108.7
156P59.1Low36.5Very low129 Ų129124 Ų12484%0.83880%0.801SS**  -127169.7-54.937.4-24.2000113.4
157A28Very low36.4Very low95 Ų95127.2 Ų127.279%0.78581%0.806SS**  trans-157126.116200000108
158A32.8Very low36.7Very low103 Ų103128.1 Ų128.185%0.85181%0.805SS**  94.3135.660.800000112.4
159A35.8Very low37Very low89 Ų89129 Ų12974%0.73680%0.801SS**  trans-98176-169.300000113.5
160P47.6Very low36.8Very low132 Ų132132.6 Ų132.686%0.85781%0.807SS**  -132.9176.7125.438.8-30.8000114.1
161T37Very low36.7Very low137 Ų137134.3 Ų134.384%0.8481%0.807SS**  trans-119.8136.8-165520000114.4
162S36.8Very low36.4Very low131 Ų131133.8 Ų133.892%0.91681%0.809SS**  trans-172.4150.2154-1660000107.3
163G33.2Very low36.9Very low56 Ų56133.7 Ų133.758%0.57781%0.807SS**  cis155.2150.50.700000108.3
164E37.2Very low36.5Very low163 Ų163137.3 Ų137.376%0.76281%0.81SS**  trans68.9102.5178.8-47.6-93.962.300114.3
165Q38Very low37.1Very low165 Ų165136.3 Ų136.377%0.77181%0.806SS**  68.699.879.4-69-16697.100115.7
166F33Very low37.1Very low212 Ų212139.6 Ų139.693%0.9381%0.806SS**  trans-154.4163.5139.7-116.8-77.3000111.7
167L33.4Very low35.9Very low155 Ų155139.2 Ų139.281%0.81280%0.804SS**  trans-104.8152-150.8-72.5156.7000116.4
168L39.1Very low35.8Very low165 Ų165139.5 Ų139.586%0.86481%0.806SS**  trans-75136.9160.3-68.3169.7000111.1
169P42Very low35.5Very low126 Ų126142 Ų14282%0.81881%0.805SS**  trans-83.6139.9165-10.928.5000112.3
170L33.8Very low35.3Very low171 Ų171145.4 Ų145.490%0.89581%0.805SS**  trans-142.9114175.7-160.193.8000112.8
171R29.7Very low34.9Very low244 Ų244144.7 Ų144.792%0.92180%0.801SS**  trans-175.9131164.5-108.5165.8165.5145.2-4107.1
172A31.7Very low34.3Very low88 Ų88144.9 Ų144.973%0.72780%0.797SS**  cis74150.729.500000114
173P44.4Very low34.3Very low107 Ų107144.4 Ų144.470%0.69579%0.79SS**  cis-142.8156.5-039-19.5000118.6
174F28.8Very low34.1Very low182 Ų182148.1 Ų148.180%0.79880%0.802SS**  trans61.4176.6145.3-85.2-100.6000119.1
175P43.5Very low34.8Very low126 Ų126145.7 Ų145.782%0.81880%0.8SS**  cis-128.2175.610.243.7-27.6000119.3
176E34.6Very low34.3Very low155 Ų155146 Ų14672%0.72481%0.806SS**  trans-112.7147.1177.3173-170.7162.100110.1
177P34Very low34Very low122 Ų122140.9 Ų140.979%0.79280%0.796SS**  trans-100.8132.6172.435.5-29.2000113.5
178A25.3Very low33.8Very low100 Ų100140.3 Ų140.383%0.82680%0.799SS**  trans-93.6-179.4179.600000114.1
179L26.6Very low33.3Very low156 Ų156136.5 Ų136.582%0.81779%0.792SS**  trans-103.3173.8-172.3-73.7165.1000114.4
180Q31.4Very low32.6Very low160 Ų160137.9 Ų137.975%0.74879%0.791SS**  trans81159.1166.5-56-61.1-11.800116.6
181P38.7Very low32.6Very low117 Ų117137.4 Ų137.476%0.7679%0.785SS**  cis-130.7179.3742.1-26000117.4
182D26.2Very low32.4Very low142 Ų142130.9 Ų130.976%0.75978%0.777SS**  trans-68.2162.3165.9-92.2-53.3000114.1
183P35Very low32.5Very low121 Ų121135 Ų13579%0.78679%0.785SS**  -145.7168.2119.939.2-25.1000117
184V29.6Very low31.8Very low134 Ų134139 Ų13981%0.81279%0.792SS**  trans-144.1174.3175.6-112.30000108.9
185P52.8Low31.9Very low111 Ų111141.6 Ų141.672%0.72180%0.796SS**  cis-129.3-179.2-28.538.9-24.1000112.2
186L26.1Very low31Very low173 Ų173139.7 Ų139.791%0.90679%0.791SS**  trans-174.6174142.4-107.1165.8000113.8
187S27.8Very low30.7Very low104 Ų104137.7 Ų137.773%0.72780%0.801SS**  trans-135.6142.3-156.4-49.20000115.8
188T27.8Very low30.4Very low142 Ų142135.8 Ų135.887%0.87180%0.803SS**  trans-173.8135.6148.425.10000107
189A29Very low30.6Very low86 Ų86134.5 Ų134.571%0.71180%0.8SS**  cis97.3107.630.800000114.3
190L28.2Very low30.7Very low154 Ų154134.1 Ų134.181%0.80679%0.794SS**  170.5154.1129.3-95.3166.7000115.5
191Q33.1Very low30.8Very low162 Ų162135.5 Ų135.576%0.75779%0.793SS**  trans65128158.6-65.716165.600118.9
192S26.4Very low30.3Very low107 Ų107141.7 Ų141.775%0.74880%0.801SS**  cis100.695.910-55.60000118
193L33.2Very low30.3Very low174 Ų174138.2 Ų138.291%0.91180%0.799SS**  trans-168.5123.8150.1-130.273.7000107.2
194K29.5Very low30Very low190 Ų190143 Ų14383%0.82681%0.807SS**  cis103.81258.8-158.7176.1-176.1172.90115.7
195R30.5Very low30.2Very low238 Ų238140.5 Ų140.590%0.89880%0.801SS**  trans95.7154.4172.4-61.1-178.2179.1152.6-0.3116.9
196A25.2Very low29.8Very low86 Ų86140.7 Ų140.771%0.71180%0.802SS**  cis-177.2156.9-31.600000110.7
197A28Very low30.2Very low112 Ų112139.1 Ų139.193%0.92680%0.799SS**  trans62.1159.9171.500000116
198G28.1Very low30.3Very low82 Ų82137.4 Ų137.485%0.84580%0.798SS**  cis141.9147.7-0.500000109.6
199G29.2Very low30.4Very low74 Ų74136.4 Ų136.476%0.76380%0.796SS**  cis176.5170.7-6.800000110.8
200E28.8Very low30.4Very low148 Ų148137.1 Ų137.169%0.69280%0.801SS**  trans61.3157.2163.1-90.6-151.787.200123.5
201R33.5Very low30.5Very low188 Ų188135.4 Ų135.471%0.70980%0.802SS**  trans72.795.3153.5-81178.4-81-90-0.2122.7
202R28.3Very low30.3Very low247 Ų247131 Ų13193%0.93280%0.801SS**  55.1117.5102.3-170.3-169.8-143.6-127.56.9120.1
203G27.2Very low31.2Very low69 Ų69132.4 Ų132.471%0.71181%0.807SS**  143.4131.7116.700000121.6
204K28.6Very low31.2Very low222 Ų222128.6 Ų128.697%0.96580%0.801SS**  trans70.5150.1150.3-76.3-175.8170.6-176.60121.2
205A32.4Very low31.5Very low82 Ų82123.3 Ų123.368%0.67879%0.792SS**  trans-106.6173.1172.400000111.3
206P44.9Very low31.6Very low115 Ų115119 Ų11975%0.74779%0.793SS**  -118.1160.6117.4-4.926.5000111.6
207T33.7Very low32Very low139 Ų139118.1 Ų118.185%0.85379%0.792SS**  cis67.5129.247-38.80000112.2
208G30.8Very low32.6Very low68 Ų68120.4 Ų120.470%0.70179%0.787SS**  cis-171.9-1580.300000107.6
209C29.9Very low33.2Very low122 Ų122125.9 Ų125.982%0.82479%0.788SS**  cis-173.6173-17.7-100.80000108.5
210A29.5Very low33.9Very low100 Ų100132 Ų13283%0.82679%0.793SS**  trans69.4155.2168.900000118.1
211S30Very low35.5Very low118 Ų118130.3 Ų130.383%0.82580%0.795SS**  cis-164.7163.5-26.249.30000110.4
212G28.9Very low35.5Very low70 Ų70131.1 Ų131.172%0.72280%0.804SS**  trans-80.8-151.5-178.800000115.6
213P45.7Very low35.7Very low136 Ų136124.6 Ų124.688%0.88380%0.803SS**  cis-136.7-151.31943.2-22.8000115.8
214A31.7Very low36.2Very low94 Ų94130.2 Ų130.278%0.77781%0.813SS**  trans-95.5-163.7-167.800000113.9
215A36.4Very low36.9Very low79 Ų79130.7 Ų130.765%0.65381%0.809SS**  cis-168.1-176.42300000115.4
216T32.8Very low37.4Very low148 Ų148136.4 Ų136.491%0.90882%0.818SS**  trans76.1152.6165.875.80000118.8
217G34.2Very low37Very low68 Ų68138.7 Ų138.770%0.70182%0.823SS**  cis170.1144.7-13.900000117
218I40.9Very low37.5Very low159 Ų159137 Ų13782%0.81582%0.817SS**  trans60120.1153.9-25177.7000121.7
219K40.8Very low37.7Very low198 Ų198143.7 Ų143.786%0.86183%0.827SS**  167.8163.6121.3-88162.8-170.4176.50113.9
220K42.7Very low38.4Very low201 Ų201141.8 Ų141.887%0.87482%0.82SS**  trans-127.6-164.7-179.1-59.1-178.9175.3175.70110.6
221P62.1Low38.9Very low113 Ų113144.9 Ų144.973%0.73482%0.823SS**  -129.1-166-97.941.8-22.9000114.5
222K34Very low39.5Very low205 Ų205146.7 Ų146.789%0.89182%0.818SS**  trans101.5126.3167.5-61.5173.8175.1177.40116.9
223A33.4Very low40.4Very low110 Ų110149 Ų14991%0.90982%0.818SS**  trans-154.9148132.900000108.8
224M37.8Very low40.1Very low187 Ų187149.3 Ų149.392%0.92182%0.818SS**  trans-127.7138.6-177.761.5-149.5-84.500109.8
225R42.8Very low40.9Very low233 Ų233150.3 Ų150.388%0.87981%0.814SS**  trans-151.3100.9163.7-164.7167.6178.1116.1-3.3110.2
226K42.1Very low41.1Very low202 Ų202151 Ų15188%0.87882%0.815SS**  trans-73146.7159-66.3-175176.9-173.60107.8
227L37.8Very low42.1Very low162 Ų162150 Ų15085%0.84881%0.811SS**  trans-133.7130.1152.8-15879.4000107.2
228S43.8Very low42.9Very low104 Ų104152.3 Ų152.373%0.72781%0.811SS**  trans-114.3130.2177.749.50000108.6
229F34.7Very low43.5Very low209 Ų209151.7 Ų151.792%0.91781%0.808SS**  trans-149.9151.5148.7-140-100.9000109.2
230A44.1Very low43.9Very low82 Ų82145.9 Ų145.968%0.67880%0.804SS**  trans-79150.9175.200000110.4
231D40.1Very low44.1Very low165 Ų165143.6 Ų143.688%0.88280%0.801SS**  trans-137.8143.3157-167.38.7000107.4
232E43.7Very low43Very low156 Ų156147.6 Ų147.673%0.72981%0.807SS**  trans-109145.3-156.6-69.4-164.610800114T234E232-T234 PolarHBondContact O-N 3.42Å
233V46.9Very low43.4Very low117 Ų117145.1 Ų145.171%0.70980%0.802SS**  trans39.667.3154-165.80000116.5T235V233-T235 HydrophobicContact CG1-CG2 4.33Å
234T40.3Very low44.6Very low143 Ų143148 Ų14888%0.87779%0.794SS**  trans-106.355.7154.738.30000111.2E232 S236E232-T234 PolarHBondContact O-N 3.42Å; T234-S236 PolarHBondContact O-N 3.44Å
235T48.5Very low44.9Very low115 Ų115147.9 Ų147.971%0.70679%0.791SS**  trans-69.891.7-177.449.50000112.8V233 P237V233-T235 HydrophobicContact CG1-CG2 4.33Å; T235-P237 WeakPolarHBondContact O-CD 3.49Å
236S39.5Very low44.9Very low95 Ų95145 Ų14566%0.66479%0.787SS**  trans-63117.3168.3-178.60000110.8T234 V238T234-S236 PolarHBondContact O-N 3.44Å; S236-V238 PolarHBondContact O-N 2.72Å
237P53.8Low45.1Very low127 Ų127143.9 Ų143.983%0.82579%0.785SS**THydrogen-bonded Turntrans-83.534.5-165.935.1-38.3000113.9T235T235-P237 WeakPolarHBondContact O-CD 3.49Å
238V51.6Low45.7Very low115 Ų115142 Ų14270%0.69778%0.783SS**THydrogen-bonded Turntrans-101.8-17.6-167.2179.40000114.1S236S236-V238 PolarHBondContact O-N 2.72Å
239L53Low45.4Very low146 Ų146140.4 Ų140.476%0.76478%0.783SS**SBendtrans-127.9-5.6-179.6-71.7176.7000116L241L239-L241 PolarHBondContact O-N 3.19Å
240G48.8Very low45.5Very low76 Ų76135.2 Ų135.278%0.78478%0.779SS**  trans64.6-1.1168.700000117.7K242G240-K242 VanDerWaalsContact C-N 3.27Å; G240-K242 PolarHBondContact O-N 3.37Å
241L47.1Very low45.8Very low153 Ų153137.4 Ų137.480%0.80179%0.786SS**  trans-7473.2-179.7-68.4172.5000111.8L239 I243L239-L241 PolarHBondContact O-N 3.19Å; L241-I243 PolarHBondContact O-N 2.75Å
242K39.5Very low45.6Very low198 Ų198135.7 Ų135.786%0.86179%0.787SS**  trans-76.788.7168.5-172.1168.2-175.7171.20109.3G240 K244G240-K242 VanDerWaalsContact C-N 3.27Å; G240-K242 PolarHBondContact O-N 3.37Å; K242-K244 PolarHBondContact O-N 3.16Å
243I42.8Very low45.8Very low153 Ų153140.8 Ų140.879%0.78580%0.799SS**PPolyproline II helixtrans-58.7127.3166-57.6172.7000107L241L241-I243 PolarHBondContact O-N 2.75Å
244K57Low45.3Very low171 Ų171138.7 Ų138.774%0.74380%0.802SS**PPolyproline II helixtrans-94.7126.6170.4177.2168.1174.5-176.40108.2K242K242-K244 PolarHBondContact O-N 3.16Å
245E45.7Very low45.9Very low183 Ų183140.8 Ų140.886%0.85581%0.806SS**PPolyproline II helixtrans-72.8138.2169.9-66.8168.7117.600109.9
246E42.6Very low45.8Very low172 Ų172139 Ų13980%0.80481%0.811SS**  trans-134.3145.9161.6-74.7-160.1121.100109.1
247E45.3Very low45.9Very low179 Ų179138.2 Ų138.284%0.83682%0.817SS**  trans-72.9143.3-171.6-82-75.4103.500113.2G249E247-G249 PolarHBondContact O-N 3.16Å
248P51.3Low45.5Very low124 Ų124137.3 Ų137.381%0.80581%0.814SS**  trans-81.283.9-176.232.8-35.3000113.1
249G37Very low45.3Very low69 Ų69143.5 Ų143.571%0.71183%0.825SS**  trans-110.8107.4-177.800000116.4E247E247-G249 PolarHBondContact O-N 3.16Å
250A35.8Very low45.5Very low101 Ų101142.6 Ų142.684%0.83583%0.825SS**  trans66.3148.1164.700000119.4
251P51Low45.6Very low128 Ų128143.9 Ų143.983%0.83182%0.82SS**  trans-99.5146.4177.337.3-32.4000113.4
252S35.5Very low45.9Very low129 Ų129143.7 Ų143.790%0.90282%0.819SS**  trans-137.8137.3162.9-99.10000111.1
253R47.8Very low47Very low263 Ų263137.3 Ų137.399%0.99281%0.809SS**  trans-90.8119.6177.3-74.1177.4170.4172.1-4110
254G38.2Very low48.4Very low73 Ų73135.5 Ų135.575%0.75380%0.797SS**  trans-134.9120.1168.300000110.4
255L51.8Low49.7Very low187 Ų187129.9 Ų129.998%0.97977%0.773SS**SBendtrans-80.3146.8171.2-76.7154.7000109.4
256G47.3Very low51.4Low78 Ų78124.4 Ų124.480%0.80475%0.749SS**  trans98.518.3170.900000116.8S258G256-S258 PolarHBondContact O-N 3.34Å
257G40Very low53.4Low77 Ų77116.9 Ų116.979%0.79472%0.715SS**  trans-62.8103.6167.300000111.2
258S47.2Very low55Low108 Ų108116.8 Ų116.876%0.75572%0.715SS**  trans-58.7146.3165.554.80000109.2G256 T260G256-S258 PolarHBondContact O-N 3.34Å; S258-T260 PolarHBondContact O-N 3.03Å
259R47.4Very low56.2Low245 Ų245115.4 Ų115.493%0.92570%0.7SS**  trans-60.9103.4-177.1-59.816984.8-179.27.8108.3
260T55.6Low58.2Low127 Ų127112.4 Ų112.478%0.77967%0.668SS**PPolyproline II helixtrans-55.9122.6167.534.40000107S258 L262S258-T260 PolarHBondContact O-N 3.03Å; T260-L262 PolarHBondContact O-N 3.42Å
261P51.3Low60.4Low103 Ų103115.3 Ų115.367%0.66966%0.662SS**PPolyproline II helixtrans-61.5128.8-179.524.4-32.1000108.2G263P261-G263 PolarHBondContact O-N 2.74Å
262L54.7Low61.9Low150 Ų150113.3 Ų113.379%0.78564%0.641SS**SBendtrans-52127.5168-70.9165.6000107.2T260 E264 F265T260-L262 PolarHBondContact O-N 3.42Å; L262-E264 PolarHBondContact O-N 2.84Å; L262-F265 HydrophobicContact CB-CZ 4.42Å
263G60.8Low64.4Low63 Ų63113.2 Ų113.265%0.64963%0.627SS**SBendtrans-41.6129.4-148.900000115.5P261 F265P261-G263 PolarHBondContact O-N 2.74Å; G263-F265 PolarHBondContact O-N 2.99Å
264E73.6Confident66.2Low115 Ų115103.1 Ų103.154%0.53759%0.589SS.*  trans-26116.5180-60.5171.5-132.500113.1L262 I266 Q273L262-E264 PolarHBondContact O-N 2.84Å; E264-I266 HydrophobicContact CB-CD1 3.94Å; E264-I266 HydrophobicContact CB-CG1 4.02Å; E264-I266 PolarHBondContact O-N 2.7Å; E264-Q273 HydrophobicContact CB-CG 4.32Å; E264-Q273 PolarHBondContact OE2-NE2 2.77Å
265F82.8Confident68.4Low54 Ų54104.1 Ų104.124%0.23759%0.59CS.*EExtended strand (participates in β ladder)trans-76.367.4-174-56.2-69.7000111.3L262 G263 Y274 P277 L280L262-F265 HydrophobicContact CB-CZ 4.42Å; G263-F265 PolarHBondContact O-N 2.99Å; F265-Y274 WeakPolarHBondContact CB-O 3.45Å; F265-Y274 WeakPolarHBondContact O-CB 3.05Å; F265-Y274 WeakPolarHBondContact O-CD2 3.37Å; F265-Y274 PolarHBondContact O-N 3.43Å; F265-P277 HydrophobicContact CD1-CB 3.81Å; F265-P277 HydrophobicContact CE1-CB 3.69Å; F265-P277 HydrophobicContact CE1-CG 4.17Å; F265-P277 HydrophobicContact CE2-CG 4.45Å; F265-P277 HydrophobicContact CG-CB 4.33Å; F265-P277 HydrophobicContact CZ-CB 4.11Å; F265-P277 HydrophobicContact CZ-CG 4.09Å; F265-L280 HydrophobicContact CB-CB 4.12Å; F265-L280 HydrophobicContact CB-CD2 3.89Å
266I83.3Confident70.1Confident67 Ų6799.8 Ų99.834%0.34457%0.568SS.*EExtended strand (participates in β ladder)trans-85.2126-178.4-62.9166.7000109.7E264 Q268 K271 E272 Q273E264-I266 HydrophobicContact CB-CD1 3.94Å; E264-I266 HydrophobicContact CB-CG1 4.02Å; E264-I266 PolarHBondContact O-N 2.7Å; I266-Q268 PolarHBondContact O-N 2.97Å; I266-K271 HydrophobicContact CG2-CB 4.44Å; I266-E272 WeakPolarHBondContact CA-O 3.43Å; I266-Q273 HydrophobicContact CG1-CB 3.96Å; I266-Q273 HydrophobicContact CG1-CG 3.92Å
267C84Confident71.9Confident15 Ų1599.5 Ų99.510%0.10155%0.552CS.*  trans-71.1114167.4178.80000109.1L269 C270 K271 E272 Y274 L280C267-L269 PolarHBondContact O-N 3.1Å; C267-C270 WeakPolarHBondContact CB-SG 3.28Å; C267-K271 WeakPolarHBondContact O-CA 3.35Å; C267-K271 PolarHBondContact O-N 3Å; C267-E272 PolarHBondContact N-O 2.95Å; C267-Y274 HydrophobicContact CB-CE2 4.19Å; C267-L280 HydrophobicContact CB-CD1 3.52Å
268Q77.8Confident74Confident177 Ų177102.9 Ų102.983%0.82755%0.545SS*.THydrogen-bonded Turntrans-57.9-15.5-175.2-62.8-179.50.100114.5I266I266-Q268 PolarHBondContact O-N 2.97Å
269L76.8Confident75.7Confident95 Ų9599.5 Ų99.550%0.49752%0.524SS..THydrogen-bonded Turntrans-95.1-50.6-174.6-56.7177000113.1C267 R287 I288C267-L269 PolarHBondContact O-N 3.1Å; L269-R287 WeakPolarHBondContact O-CD 3.43Å; L269-R287 PolarHBondContact O-NH1 3.45Å; L269-I288 HydrophobicContact CD1-CD1 3.88Å; L269-I288 HydrophobicContact CD1-CG1 3.41Å; L269-I288 VanDerWaalsContact CD1-CG1 3.41Å
270C79.7Confident77.7Confident5 Ų590.2 Ų90.23%0.03449%0.492CS..THydrogen-bonded Turntrans-84-20.2171.354.60000113C267 E272 H283 C285 R287C267-C270 WeakPolarHBondContact CB-SG 3.28Å; C270-E272 HydrophobicContact CB-CB 4.44Å; C270-E272 HydrophobicContact CB-CG 3.91Å; C270-E272 PolarHBondContact O-N 3.49Å; C270-E272 VanDerWaalsContact SG-CB 3.55Å; C270-E272 PolarHBondContact SG-N 3.13Å; C270-E272 PolarHBondContact SG-OE2 2.89Å; C270-H283 PolarHBondContact SG-NE2 2.89Å; C270-C285 VanDerWaalsContact CB-SG 3.51Å; C270-C285 PolarHBondContact N-SG 3.1Å; C270-C285 VanDerWaalsContact N-SG 3.39Å; C270-C285 VanDerWaalsContact SG-SG 3.7Å; C270-R287 VanDerWaalsContact CA-NH1 3.29Å; C270-R287 VanDerWaalsContact O-CZ 3.25Å; C270-R287 PolarHBondContact O-NH1 3.3Å; C270-R287 PolarHBondContact O-NH2 3.39Å; C270-R287 VanDerWaalsContact O-NH2 3.13Å
271K81.3Confident79Confident163 Ų16388 Ų8871%0.70949%0.487SS*.  trans60.422-168.2-55.5-172.6178.1-174.90113.8I266 C267I266-K271 HydrophobicContact CG2-CB 4.44Å; C267-K271 WeakPolarHBondContact O-CA 3.35Å; C267-K271 PolarHBondContact O-N 3Å
272E83Confident80.4Confident85 Ų8589.3 Ų89.340%0.39748%0.484SS..  trans-77.6133.9170.4-64.6161.8169.800109.2I266 C267 C270 Y274 H283I266-E272 WeakPolarHBondContact CA-O 3.43Å; C267-E272 PolarHBondContact N-O 2.95Å; C270-E272 HydrophobicContact CB-CB 4.44Å; C270-E272 HydrophobicContact CB-CG 3.91Å; C270-E272 PolarHBondContact O-N 3.49Å; C270-E272 VanDerWaalsContact SG-CB 3.55Å; C270-E272 PolarHBondContact SG-N 3.13Å; C270-E272 PolarHBondContact SG-OE2 2.89Å; E272-Y274 HydrophobicContact CB-CE2 3.94Å; E272-Y274 WeakPolarHBondContact CB-OH 3.32Å; E272-Y274 WeakPolarHBondContact O-CE2 3.4Å; E272-Y274 PolarHBondContact OE2-OH 2.76Å; E272-H283 IonicContact OE2-CE1 3Å; E272-H283 PolarHBondContact OE2-CE1 3.04Å; E272-H283 IonicContact OE2-ND1 2.74Å; E272-H283 IonicContact OE2-NE2 3.84Å
273Q87.8Confident81.8Confident127 Ų12784.1 Ų84.159%0.59346%0.456SS*.EExtended strand (participates in β ladder)trans-90.9132.1179.9-170-167.167.400109.5E264 I266E264-Q273 HydrophobicContact CB-CG 4.32Å; E264-Q273 PolarHBondContact OE2-NE2 2.77Å; I266-Q273 HydrophobicContact CG1-CB 3.96Å; I266-Q273 HydrophobicContact CG1-CG 3.92Å
274Y85.3Confident82.3Confident52 Ų5292.6 Ų92.620%0.20447%0.468CS..EExtended strand (participates in β ladder)trans-111.2146.4175.9-65.4-79000111.1F265 C267 E272 D276 A279 L280 H283F265-Y274 WeakPolarHBondContact CB-O 3.45Å; F265-Y274 WeakPolarHBondContact O-CB 3.05Å; F265-Y274 WeakPolarHBondContact O-CD2 3.37Å; F265-Y274 PolarHBondContact O-N 3.43Å; C267-Y274 HydrophobicContact CB-CE2 4.19Å; E272-Y274 HydrophobicContact CB-CE2 3.94Å; E272-Y274 WeakPolarHBondContact CB-OH 3.32Å; E272-Y274 WeakPolarHBondContact O-CE2 3.4Å; E272-Y274 PolarHBondContact OE2-OH 2.76Å; Y274-D276 VanDerWaalsContact C-N 3.31Å; Y274-A279 HydrophobicContact CD1-CB 4.04Å; Y274-A279 HydrophobicContact CG-CB 4.39Å; Y274-L280 HydrophobicContact CD2-CB 4.1Å; Y274-L280 HydrophobicContact CD2-CD1 3.96Å; Y274-L280 HydrophobicContact CE2-CD1 4.39Å; Y274-L280 HydrophobicContact CG-CB 4.32Å; Y274-H283 HydrophobicContact CE1-CB 4.46Å; Y274-H283 HydrophobicContact CE2-CB 4.12Å; Y274-H283 AromaticContact CE2-CG 3.84Å; Y274-H283 AromaticContact CZ-CG 3.68Å; Y274-H283 AromaticContact CZ-ND1 3.54Å; Y274-H283 PolarHBondContact OH-CE1 2.96Å; Y274-H283 PolarHBondContact OH-ND1 2.83Å
275A85.4Confident82.5Confident93 Ų9387.5 Ų87.577%0.76945%0.445SS*.SBendtrans-69.7-30.2174.800000112.4
276D86.6Confident81.7Confident96 Ų9689.1 Ų89.151%0.51346%0.463SS..SBendtrans-124.8145.9-174.3-74.3-63.7000112.8Y274 F278 A279 L280Y274-D276 VanDerWaalsContact C-N 3.31Å; D276-F278 PolarHBondContact O-N 3.16Å; D276-A279 HydrophobicContact CB-CB 4.03Å; D276-A279 PolarHBondContact O-N 2.97Å; D276-L280 PolarHBondContact O-N 2.95Å; D276-L280 VanDerWaalsContact O-N 3.09Å
277P84.8Confident80.5Confident72 Ų7293.4 Ų93.447%0.46848%0.475SS..Hα-helixtrans-64.5-27.8171.427.8-32.9000111.6F265 A281F265-P277 HydrophobicContact CD1-CB 3.81Å; F265-P277 HydrophobicContact CE1-CB 3.69Å; F265-P277 HydrophobicContact CE1-CG 4.17Å; F265-P277 HydrophobicContact CE2-CG 4.45Å; F265-P277 HydrophobicContact CG-CB 4.33Å; F265-P277 HydrophobicContact CZ-CB 4.11Å; F265-P277 HydrophobicContact CZ-CG 4.09Å; P277-A281 WeakPolarHBondContact O-CB 3.47Å; P277-A281 PolarHBondContact O-N 3.27Å
278F85.1Confident79.4Confident148 Ų14896.9 Ų96.965%0.64949%0.492SS*.Hα-helixtrans-74.8-34.7177.6-161.9-118.3000112.1D276 A281 Q282D276-F278 PolarHBondContact O-N 3.16Å; F278-A281 PolarHBondContact O-N 3.04Å; F278-Q282 WeakPolarHBondContact O-CG 3.43Å; F278-Q282 PolarHBondContact O-N 3.05Å
279A83.8Confident78.2Confident38 Ų3893.8 Ų93.831%0.31449%0.485SS..Hα-helixtrans-65.7-43.5171.200000110.9Y274 D276 A281 Q282 H283Y274-A279 HydrophobicContact CD1-CB 4.04Å; Y274-A279 HydrophobicContact CG-CB 4.39Å; D276-A279 HydrophobicContact CB-CB 4.03Å; D276-A279 PolarHBondContact O-N 2.97Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.16Å; A279-Q282 PolarHBondContact O-N 2.86Å; A279-H283 WeakPolarHBondContact O-CB 3.46Å; A279-H283 PolarHBondContact O-N 3.33Å
280L87.8Confident77.2Confident50 Ų5099 Ų9926%0.26250%0.498SS..Hα-helixtrans-60-40.3171.4174.160.5000112.4F265 C267 Y274 D276 H283F265-L280 HydrophobicContact CB-CB 4.12Å; F265-L280 HydrophobicContact CB-CD2 3.89Å; C267-L280 HydrophobicContact CB-CD1 3.52Å; Y274-L280 HydrophobicContact CD2-CB 4.1Å; Y274-L280 HydrophobicContact CD2-CD1 3.96Å; Y274-L280 HydrophobicContact CE2-CD1 4.39Å; Y274-L280 HydrophobicContact CG-CB 4.32Å; D276-L280 PolarHBondContact O-N 2.95Å; D276-L280 VanDerWaalsContact O-N 3.09Å; L280-H283 WeakPolarHBondContact O-CB 3.36Å; L280-H283 PolarHBondContact O-N 2.93Å
281A82.8Confident76.4Confident81 Ų81102.5 Ų102.567%0.66952%0.519SS*.Hα-helixtrans-70.3-29178.100000113.7P277 F278 A279P277-A281 WeakPolarHBondContact O-CB 3.47Å; P277-A281 PolarHBondContact O-N 3.27Å; F278-A281 PolarHBondContact O-N 3.04Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.16Å
282Q80.9Confident75.8Confident129 Ų12998.8 Ų98.860%0.60350%0.504SS*.Hα-helixtrans-84.1-18.6173.5-69.8-169.112.100113.4F278 A279 R284F278-Q282 WeakPolarHBondContact O-CG 3.43Å; F278-Q282 PolarHBondContact O-N 3.05Å; A279-Q282 PolarHBondContact O-N 2.86Å; Q282-R284 PolarHBondContact O-N 3.14Å; Q282-R284 VanDerWaalsContact O-N 3.16Å
283H83.9Confident75.2Confident42 Ų4298.7 Ų98.719%0.19450%0.501CS..  trans-62.8114.4-176.2169.870.7000112.4C270 E272 Y274 A279 L280 C285C270-H283 PolarHBondContact SG-NE2 2.89Å; E272-H283 IonicContact OE2-CE1 3Å; E272-H283 PolarHBondContact OE2-CE1 3.04Å; E272-H283 IonicContact OE2-ND1 2.74Å; E272-H283 IonicContact OE2-NE2 3.84Å; Y274-H283 HydrophobicContact CE1-CB 4.46Å; Y274-H283 HydrophobicContact CE2-CB 4.12Å; Y274-H283 AromaticContact CE2-CG 3.84Å; Y274-H283 AromaticContact CZ-CG 3.68Å; Y274-H283 AromaticContact CZ-ND1 3.54Å; Y274-H283 PolarHBondContact OH-CE1 2.96Å; Y274-H283 PolarHBondContact OH-ND1 2.83Å; A279-H283 WeakPolarHBondContact O-CB 3.46Å; A279-H283 PolarHBondContact O-N 3.33Å; L280-H283 WeakPolarHBondContact O-CB 3.36Å; L280-H283 PolarHBondContact O-N 2.93Å; H283-C285 WeakPolarHBondContact NE2-CA 2.99Å; H283-C285 WeakPolarHBondContact NE2-CB 3.2Å; H283-C285 PolarHBondContact NE2-N 3.33Å; H283-C285 PolarHBondContact O-N 2.87Å
284R72.5Confident74.9Confident240 Ų240100.1 Ų100.191%0.90650%0.501SS*.  trans-87.587.2172.6-68.7-178.3178.4145.73.1109.7Q282 S286Q282-R284 PolarHBondContact O-N 3.14Å; Q282-R284 VanDerWaalsContact O-N 3.16Å; R284-S286 PolarHBondContact O-N 3.27Å
285C78Confident75Confident8 Ų898 Ų985%0.05449%0.493CS..  trans-56.9123.9-176-169.30000113.4C270 H283 R287 I288C270-C285 VanDerWaalsContact CB-SG 3.51Å; C270-C285 PolarHBondContact N-SG 3.1Å; C270-C285 VanDerWaalsContact N-SG 3.39Å; C270-C285 VanDerWaalsContact SG-SG 3.7Å; H283-C285 WeakPolarHBondContact NE2-CA 2.99Å; H283-C285 WeakPolarHBondContact NE2-CB 3.2Å; H283-C285 PolarHBondContact NE2-N 3.33Å; H283-C285 PolarHBondContact O-N 2.87Å; C285-R287 VanDerWaalsContact C-N 3.3Å; C285-R287 PolarHBondContact O-N 3.25Å; C285-R287 PolarHBondContact SG-N 3.47Å; C285-I288 HydrophobicContact CB-CB 4.46Å; C285-I288 HydrophobicContact CB-CD1 4.03Å; C285-I288 HydrophobicContact CB-CG1 3.97Å; C285-I288 CarbonylContact O-C 3.53Å; C285-I288 WeakPolarHBondContact O-CA 3.17Å; C285-I288 VanDerWaalsContact O-CB 3.28Å; C285-I288 WeakPolarHBondContact O-CB 3.41Å; C285-I288 PolarHBondContact O-N 3.19Å; C285-I288 VanDerWaalsContact O-N 3.1Å
286S64.9Low74.9Confident89 Ų8998.6 Ų98.662%0.62249%0.489SS*.THydrogen-bonded Turntrans-70.3-25174.855.60000113.2R284 I288 V289R284-S286 PolarHBondContact O-N 3.27Å; S286-I288 VanDerWaalsContact C-N 3.3Å; S286-I288 CarbonylContact O-C 3.54Å; S286-V289 PolarHBondContact O-N 3.33Å; S286-V289 VanDerWaalsContact O-N 3.16Å
287R57.9Low74.7Confident156 Ų15698 Ų9859%0.58948%0.484SS*.THydrogen-bonded Turntrans-81-6.9169.3-62.7-147.5-153.9107.713.1113.8L269 C270 C285 V289L269-R287 WeakPolarHBondContact O-CD 3.43Å; L269-R287 PolarHBondContact O-NH1 3.45Å; C270-R287 VanDerWaalsContact CA-NH1 3.29Å; C270-R287 VanDerWaalsContact O-CZ 3.25Å; C270-R287 PolarHBondContact O-NH1 3.3Å; C270-R287 PolarHBondContact O-NH2 3.39Å; C270-R287 VanDerWaalsContact O-NH2 3.13Å; C285-R287 VanDerWaalsContact C-N 3.3Å; C285-R287 PolarHBondContact O-N 3.25Å; C285-R287 PolarHBondContact SG-N 3.47Å; R287-V289 PolarHBondContact O-N 3.07Å
288I61.6Low74.7Confident88 Ų8896 Ų9645%0.45147%0.471SS..SBendtrans-72.774.5138.4-52.5166.1000105.8L269 C285 S286 R290L269-I288 HydrophobicContact CD1-CD1 3.88Å; L269-I288 HydrophobicContact CD1-CG1 3.41Å; L269-I288 VanDerWaalsContact CD1-CG1 3.41Å; C285-I288 HydrophobicContact CB-CB 4.46Å; C285-I288 HydrophobicContact CB-CD1 4.03Å; C285-I288 HydrophobicContact CB-CG1 3.97Å; C285-I288 CarbonylContact O-C 3.53Å; C285-I288 WeakPolarHBondContact O-CA 3.17Å; C285-I288 VanDerWaalsContact O-CB 3.28Å; C285-I288 WeakPolarHBondContact O-CB 3.41Å; C285-I288 PolarHBondContact O-N 3.19Å; C285-I288 VanDerWaalsContact O-N 3.1Å; S286-I288 VanDerWaalsContact C-N 3.3Å; S286-I288 CarbonylContact O-C 3.54Å; I288-R290 PolarHBondContact O-N 3.08Å; I288-R290 VanDerWaalsContact O-N 3.16Å
289V53Low74.5Confident113 Ų11396.2 Ų96.269%0.68548%0.479SS*.  trans-44.1125.7146.8173.90000104.1S286 R287 V291S286-V289 PolarHBondContact O-N 3.33Å; S286-V289 VanDerWaalsContact O-N 3.16Å; R287-V289 PolarHBondContact O-N 3.07Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 WeakPolarHBondContact O-CG2 3.34Å; V289-V291 PolarHBondContact O-N 3.17Å
290R55.3Low74.4Confident204 Ų204100.1 Ų100.177%0.7749%0.488SS*.  trans-47.4102.6-175.4-79.4176.1162.1142.8-5.1108.3I288 E292I288-R290 PolarHBondContact O-N 3.08Å; I288-R290 VanDerWaalsContact O-N 3.16Å; R290-E292 HydrophobicContact CB-CG 4.37Å; R290-E292 PolarHBondContact O-N 2.91Å
291V62.9Low74.2Confident79 Ų79101 Ų10148%0.47950%0.496SS..  trans-73.985.8173.1178.80000103.4V289 Y293V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 WeakPolarHBondContact O-CG2 3.34Å; V289-V291 PolarHBondContact O-N 3.17Å; V291-Y293 HydrophobicContact CB-CE2 4.19Å; V291-Y293 HydrophobicContact CG1-CD1 4.09Å; V291-Y293 HydrophobicContact CG1-CD2 4.49Å; V291-Y293 HydrophobicContact CG1-CE1 3.71Å; V291-Y293 HydrophobicContact CG1-CE2 4.15Å; V291-Y293 HydrophobicContact CG1-CG 4.47Å; V291-Y293 WeakPolarHBondContact O-CD2 3.41Å; V291-Y293 WeakPolarHBondContact O-CE2 3.34Å; V291-Y293 PolarHBondContact O-N 3.04Å
292E68.5Low74.1Confident85 Ų8599 Ų9940%0.39747%0.472SS..  trans-60.995.6173.6-73-166.8167.800105.8R290 R294 V301R290-E292 HydrophobicContact CB-CG 4.37Å; R290-E292 PolarHBondContact O-N 2.91Å; E292-R294 HydrophobicContact CB-CG 4.24Å; E292-R294 WeakPolarHBondContact O-CG 3.31Å; E292-R294 PolarHBondContact O-N 3.23Å; E292-R294 IonicContact OE2-CZ 3.39Å; E292-R294 IonicContact OE2-NE 3.22Å; E292-R294 PolarHBondContact OE2-NE 3.3Å; E292-R294 IonicContact OE2-NH2 2.71Å; E292-R294 PolarHBondContact OE2-NH2 3.46Å; E292-V301 HydrophobicContact CB-CG1 3.61Å; E292-V301 HydrophobicContact CB-CG2 4.37Å; E292-V301 HydrophobicContact CG-CG1 3.56Å
293Y71.5Confident74.1Confident83 Ų8397.7 Ų97.733%0.32548%0.477SS..EExtended strand (participates in β ladder)trans-70.183.6176.2-67.7-76.1000106.4V291 F302 P305 L308V291-Y293 HydrophobicContact CB-CE2 4.19Å; V291-Y293 HydrophobicContact CG1-CD1 4.09Å; V291-Y293 HydrophobicContact CG1-CD2 4.49Å; V291-Y293 HydrophobicContact CG1-CE1 3.71Å; V291-Y293 HydrophobicContact CG1-CE2 4.15Å; V291-Y293 HydrophobicContact CG1-CG 4.47Å; V291-Y293 WeakPolarHBondContact O-CD2 3.41Å; V291-Y293 WeakPolarHBondContact O-CE2 3.34Å; V291-Y293 PolarHBondContact O-N 3.04Å; Y293-F302 WeakPolarHBondContact CB-O 3.32Å; Y293-F302 PolarHBondContact N-O 3.19Å; Y293-F302 WeakPolarHBondContact O-CD2 3.16Å; Y293-F302 PolarHBondContact O-N 2.72Å; Y293-P305 HydrophobicContact CD1-CB 4.41Å; Y293-P305 HydrophobicContact CD2-CB 4.47Å; Y293-P305 HydrophobicContact CE1-CB 4.13Å; Y293-P305 HydrophobicContact CE2-CB 4.2Å; Y293-P305 HydrophobicContact CE2-CG 4.27Å; Y293-L308 HydrophobicContact CD1-CD2 4.43Å
294R80.8Confident73.8Confident157 Ų15798.4 Ų98.459%0.59249%0.486SS*.EExtended strand (participates in β ladder)trans-72.8138.2175.1-53.1-157.3174.5177.7-2.2107.8E292 V301E292-R294 HydrophobicContact CB-CG 4.24Å; E292-R294 WeakPolarHBondContact O-CG 3.31Å; E292-R294 PolarHBondContact O-N 3.23Å; E292-R294 IonicContact OE2-CZ 3.39Å; E292-R294 IonicContact OE2-NE 3.22Å; E292-R294 PolarHBondContact OE2-NE 3.3Å; E292-R294 IonicContact OE2-NH2 2.71Å; E292-R294 PolarHBondContact OE2-NH2 3.46Å; R294-V301 HydrophobicContact CG-CG2 4.04Å
295C87.4Confident74.2Confident7 Ų790.4 Ų90.45%0.04747%0.465CS..EExtended strand (participates in β ladder)trans-79.1132.2175-172.80000109.4E297 C298 K300 L308 H315C295-E297 PolarHBondContact O-N 2.86Å; C295-C298 CarbonylContact C-O 3.39Å; C295-C298 VanDerWaalsContact CB-O 3.28Å; C295-C298 WeakPolarHBondContact CB-O 3.25Å; C295-C298 CarbonylContact O-C 3.56Å; C295-C298 PolarHBondContact O-N 3.06Å; C295-K300 PolarHBondContact N-O 3.21Å; C295-L308 HydrophobicContact CB-CD1 3.95Å; C295-H315 PolarHBondContact SG-CD2 3.29Å
296P82.4Confident74.2Confident105 Ų10593 Ų9368%0.68249%0.488SS*.THydrogen-bonded Turntrans-69.2-11.2176.129.4-35.4000112.5
297E82.8Confident75.1Confident85 Ų8593 Ų9340%0.39748%0.481SS..THydrogen-bonded Turntrans-103.9-9.6-175.8-61.8148.7-94.800111.7C295 R312 H315C295-E297 PolarHBondContact O-N 2.86Å; E297-R312 IonicContact OE1-CZ 3.67Å; E297-R312 IonicContact OE1-NE 3.81Å; E297-R312 PolarHBondContact OE1-NE 3.29Å; E297-R312 IonicContact OE1-NH2 3.96Å; E297-H315 HydrophobicContact CB-CB 3.87Å; E297-H315 VanDerWaalsContact CB-CD2 3.46Å; E297-H315 WeakPolarHBondContact CB-CD2 3.28Å; E297-H315 HydrophobicContact CG-CB 4.28Å; E297-H315 PolarHBondContact O-CE1 3.07Å; E297-H315 WeakPolarHBondContact OE2-CB 3.33Å
298C84.6Confident76.5Confident29 Ų2986.9 Ų86.920%0.19646%0.459CS..EExtended strand (participates in β ladder)trans-171.2157.5158.570.30000111.8C295 K300 H311 H315C295-C298 CarbonylContact C-O 3.39Å; C295-C298 VanDerWaalsContact CB-O 3.28Å; C295-C298 WeakPolarHBondContact CB-O 3.25Å; C295-C298 CarbonylContact O-C 3.56Å; C295-C298 PolarHBondContact O-N 3.06Å; C298-K300 PolarHBondContact O-N 2.97Å; C298-K300 VanDerWaalsContact SG-CE 3.51Å; C298-K300 VanDerWaalsContact SG-CG 3.56Å; C298-H311 PolarHBondContact SG-NE2 2.86Å; C298-H311 VanDerWaalsContact SG-NE2 3.44Å; C298-H315 PolarHBondContact SG-CE1 3.34Å; C298-H315 PolarHBondContact SG-NE2 3.38Å
299D81.8Confident77.6Confident153 Ų15385.1 Ų85.182%0.81846%0.458SS*.EExtended strand (participates in β ladder)trans-68.220.5-171.4-48.8-83.3000116.8V301D299-V301 PolarHBondContact O-N 3.48Å
300K80.4Confident79.2Confident119 Ų11983 Ų8352%0.51745%0.448SS..EExtended strand (participates in β ladder)trans-74.3120176.1-63.1-176.8-153.3-44.10110.2C295 C298 F302C295-K300 PolarHBondContact N-O 3.21Å; C298-K300 PolarHBondContact O-N 2.97Å; C298-K300 VanDerWaalsContact SG-CE 3.51Å; C298-K300 VanDerWaalsContact SG-CG 3.56Å; K300-F302 HydrophobicContact CB-CE2 3.62Å; K300-F302 HydrophobicContact CB-CZ 3.92Å; K300-F302 WeakPolarHBondContact O-CD2 3.1Å; K300-F302 VanDerWaalsContact O-CE2 3.32Å; K300-F302 WeakPolarHBondContact O-CE2 3.47Å
301V84.9Confident80.8Confident68 Ų6874.8 Ų74.841%0.41242%0.418SS..EExtended strand (participates in β ladder)trans-83.4130.41761710000110.5E292 R294 D299E292-V301 HydrophobicContact CB-CG1 3.61Å; E292-V301 HydrophobicContact CB-CG2 4.37Å; E292-V301 HydrophobicContact CG-CG1 3.56Å; R294-V301 HydrophobicContact CG-CG2 4.04Å; D299-V301 PolarHBondContact O-N 3.48Å
302F81.1Confident81.9Confident41 Ų4176.9 Ų76.918%0.1842%0.418CS..EExtended strand (participates in β ladder)trans-118.8136.7173.1-62.5-88.4000111.7Y293 K300 C304 N307 L308 H311Y293-F302 WeakPolarHBondContact CB-O 3.32Å; Y293-F302 PolarHBondContact N-O 3.19Å; Y293-F302 WeakPolarHBondContact O-CD2 3.16Å; Y293-F302 PolarHBondContact O-N 2.72Å; K300-F302 HydrophobicContact CB-CE2 3.62Å; K300-F302 HydrophobicContact CB-CZ 3.92Å; K300-F302 WeakPolarHBondContact O-CD2 3.1Å; K300-F302 VanDerWaalsContact O-CE2 3.32Å; K300-F302 WeakPolarHBondContact O-CE2 3.47Å; F302-C304 VanDerWaalsContact C-N 3.31Å; F302-N307 HydrophobicContact CB-CB 4.48Å; F302-N307 HydrophobicContact CD1-CB 3.9Å; F302-L308 HydrophobicContact CB-CB 4.37Å; F302-L308 HydrophobicContact CD2-CB 4.47Å; F302-L308 HydrophobicContact CD2-CD1 4.08Å; F302-H311 HydrophobicContact CE1-CB 4.09Å; F302-H311 HydrophobicContact CE2-CB 4.01Å; F302-H311 AromaticContact CE2-CD2 3.16Å; F302-H311 WeakPolarHBondContact CE2-CD2 3.36Å; F302-H311 AromaticContact CE2-CG 3.67Å; F302-H311 AromaticContact CE2-NE2 3.87Å; F302-H311 HydrophobicContact CZ-CB 3.62Å; F302-H311 AromaticContact CZ-CD2 3.32Å; F302-H311 WeakPolarHBondContact CZ-CD2 3.31Å; F302-H311 AromaticContact CZ-CG 3.34Å; F302-H311 AromaticContact CZ-ND1 3.98Å; F302-H311 AromaticContact CZ-NE2 3.93Å
303S79.6Confident82.9Confident100 Ų10082.5 Ų82.570%0.69944%0.435SS*.SBendtrans-81.7-5.7177.1-171.20000114.1
304C77.5Confident83.4Confident57 Ų5789.4 Ų89.439%0.38546%0.461SS..SBendtrans-141.1135.9-177.6-57.80000110.6F302 A306 N307 L308F302-C304 VanDerWaalsContact C-N 3.31Å; C304-A306 VanDerWaalsContact C-N 3.31Å; C304-A306 PolarHBondContact O-N 2.73Å; C304-N307 HydrophobicContact CB-CB 4.48Å; C304-N307 PolarHBondContact O-N 2.93Å; C304-N307 VanDerWaalsContact O-N 3.1Å; C304-L308 PolarHBondContact O-N 2.89Å
305P80.8Confident83.5Confident72 Ų7284.7 Ų84.747%0.46845%0.445SS..Hα-helixtrans-67.9-28.9-176.926.6-33.7000113Y293 N307 L308 A309Y293-P305 HydrophobicContact CD1-CB 4.41Å; Y293-P305 HydrophobicContact CD2-CB 4.47Å; Y293-P305 HydrophobicContact CE1-CB 4.13Å; Y293-P305 HydrophobicContact CE2-CB 4.2Å; Y293-P305 HydrophobicContact CE2-CG 4.27Å; P305-N307 VanDerWaalsContact C-N 3.27Å; P305-N307 PolarHBondContact O-N 2.85Å; P305-L308 WeakPolarHBondContact O-CB 3.49Å; P305-L308 PolarHBondContact O-N 3.03Å; P305-A309 WeakPolarHBondContact O-CB 3.47Å; P305-A309 PolarHBondContact O-N 2.89Å
306A79.6Confident83.1Confident64 Ų6492.2 Ų92.253%0.52948%0.477SS..Hα-helixtrans-63.3-32.7173.600000112.9C304 S310C304-A306 VanDerWaalsContact C-N 3.31Å; C304-A306 PolarHBondContact O-N 2.73Å; A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 3.16Å; A306-S310 PolarHBondContact O-OG 2.95Å
307N83.1Confident82.3Confident89 Ų8992.2 Ų92.248%0.47648%0.477SS..Hα-helixtrans-76-40.5177.2-66.9-12.6000110.8F302 C304 P305 S310 H311F302-N307 HydrophobicContact CB-CB 4.48Å; F302-N307 HydrophobicContact CD1-CB 3.9Å; C304-N307 HydrophobicContact CB-CB 4.48Å; C304-N307 PolarHBondContact O-N 2.93Å; C304-N307 VanDerWaalsContact O-N 3.1Å; P305-N307 VanDerWaalsContact C-N 3.27Å; P305-N307 PolarHBondContact O-N 2.85Å; N307-S310 PolarHBondContact O-N 3.07Å; N307-H311 VanDerWaalsContact O-CB 3.31Å; N307-H311 WeakPolarHBondContact O-CB 3.44Å; N307-H311 PolarHBondContact O-N 3.35Å
308L86.5Confident80.9Confident27 Ų2799.4 Ų99.414%0.14150%0.501CS..Hα-helixtrans-56.2-50.9168.6178.383.7000110.9Y293 C295 F302 C304 P305 S310 H311 R312Y293-L308 HydrophobicContact CD1-CD2 4.43Å; C295-L308 HydrophobicContact CB-CD1 3.95Å; F302-L308 HydrophobicContact CB-CB 4.37Å; F302-L308 HydrophobicContact CD2-CB 4.47Å; F302-L308 HydrophobicContact CD2-CD1 4.08Å; C304-L308 PolarHBondContact O-N 2.89Å; P305-L308 WeakPolarHBondContact O-CB 3.49Å; P305-L308 PolarHBondContact O-N 3.03Å; L308-S310 PolarHBondContact O-N 3.38Å; L308-H311 PolarHBondContact O-N 3.12Å; L308-R312 HydrophobicContact CD1-CG 4.48Å; L308-R312 HydrophobicContact CG-CG 4.37Å; L308-R312 WeakPolarHBondContact O-CG 3.44Å; L308-R312 PolarHBondContact O-N 2.87Å
309A84.5Confident79.2Confident50 Ų50103.6 Ų103.641%0.41353%0.528SS..Hα-helixtrans-62.5-31.3-178.200000112.8P305 R313P305-A309 WeakPolarHBondContact O-CB 3.47Å; P305-A309 PolarHBondContact O-N 2.89Å; A309-R313 WeakPolarHBondContact O-CG 3.37Å
310S86.8Confident77.6Confident69 Ų69100.7 Ų100.748%0.48353%0.525SS..Hα-helixtrans-75.3-37.8172.5-58.10000112.2A306 N307 L308 R313A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 3.16Å; A306-S310 PolarHBondContact O-OG 2.95Å; N307-S310 PolarHBondContact O-N 3.07Å; L308-S310 PolarHBondContact O-N 3.38Å; S310-R313 PolarHBondContact O-N 3.38Å
311H89.6Confident75.9Confident32 Ų3299.8 Ų99.815%0.14854%0.54CS..Hα-helixtrans-69.6-41178.3174.953.3000113C298 F302 N307 L308 R313 W314 H315C298-H311 PolarHBondContact SG-NE2 2.86Å; C298-H311 VanDerWaalsContact SG-NE2 3.44Å; F302-H311 HydrophobicContact CE1-CB 4.09Å; F302-H311 HydrophobicContact CE2-CB 4.01Å; F302-H311 AromaticContact CE2-CD2 3.16Å; F302-H311 WeakPolarHBondContact CE2-CD2 3.36Å; F302-H311 AromaticContact CE2-CG 3.67Å; F302-H311 AromaticContact CE2-NE2 3.87Å; F302-H311 HydrophobicContact CZ-CB 3.62Å; F302-H311 AromaticContact CZ-CD2 3.32Å; F302-H311 WeakPolarHBondContact CZ-CD2 3.31Å; F302-H311 AromaticContact CZ-CG 3.34Å; F302-H311 AromaticContact CZ-ND1 3.98Å; F302-H311 AromaticContact CZ-NE2 3.93Å; N307-H311 VanDerWaalsContact O-CB 3.31Å; N307-H311 WeakPolarHBondContact O-CB 3.44Å; N307-H311 PolarHBondContact O-N 3.35Å; L308-H311 PolarHBondContact O-N 3.12Å; H311-R313 PolarHBondContact O-N 2.87Å; H311-R313 VanDerWaalsContact O-N 3.14Å; H311-W314 WeakPolarHBondContact O-CB 3.48Å; H311-W314 PolarHBondContact O-N 3.12Å; H311-H315 AromaticContact CD2-NE2 3.89Å; H311-H315 AromaticContact CE1-CD2 3.93Å; H311-H315 AromaticContact CE1-NE2 3.34Å; H311-H315 PolarHBondContact CE1-NE2 3.43Å; H311-H315 VanDerWaalsContact CE1-NE2 3.34Å; H311-H315 AromaticContact NE2-CD2 3.7Å; H311-H315 AromaticContact NE2-NE2 3.03Å; H311-H315 PolarHBondContact NE2-NE2 3.29Å
312R87.1Confident73.8Confident123 Ų123101.1 Ų101.146%0.46456%0.558SS.*Hα-helixtrans-58.9-26.9176-70.5-179.369.5-155.9-2.3113.1E297 L308 W314 H315E297-R312 IonicContact OE1-CZ 3.67Å; E297-R312 IonicContact OE1-NE 3.81Å; E297-R312 PolarHBondContact OE1-NE 3.29Å; E297-R312 IonicContact OE1-NH2 3.96Å; L308-R312 HydrophobicContact CD1-CG 4.48Å; L308-R312 HydrophobicContact CG-CG 4.37Å; L308-R312 WeakPolarHBondContact O-CG 3.44Å; L308-R312 PolarHBondContact O-N 2.87Å; R312-W314 PolarHBondContact O-N 2.95Å; R312-H315 PolarHBondContact O-N 2.97Å
313R87.5Confident71.6Confident203 Ų203106.9 Ų106.977%0.76659%0.591SS**Hα-helixtrans-67.6-18.1173.3-63.1173.7-172.8-141-0.8113.7A309 S310 H311A309-R313 WeakPolarHBondContact O-CG 3.37Å; S310-R313 PolarHBondContact O-N 3.38Å; H311-R313 PolarHBondContact O-N 2.87Å; H311-R313 VanDerWaalsContact O-N 3.14Å
314W82.3Confident69.5Low227 Ų227106.1 Ų106.186%0.8659%0.59SS**Hα-helixtrans-83-24.6173.6-8168.9000113.4H311 R312 K316H311-W314 WeakPolarHBondContact O-CB 3.48Å; H311-W314 PolarHBondContact O-N 3.12Å; R312-W314 PolarHBondContact O-N 2.95Å; W314-K316 VanDerWaalsContact C-N 3.33Å
315H82.9Confident67.6Low58 Ų58108.3 Ų108.327%0.26961%0.613SS.*Hα-helixtrans-80.1-13.8178.8-73.7-59.2000113.9C295 E297 C298 H311 R312 P317C295-H315 PolarHBondContact SG-CD2 3.29Å; E297-H315 HydrophobicContact CB-CB 3.87Å; E297-H315 VanDerWaalsContact CB-CD2 3.46Å; E297-H315 WeakPolarHBondContact CB-CD2 3.28Å; E297-H315 HydrophobicContact CG-CB 4.28Å; E297-H315 PolarHBondContact O-CE1 3.07Å; E297-H315 WeakPolarHBondContact OE2-CB 3.33Å; C298-H315 PolarHBondContact SG-CE1 3.34Å; C298-H315 PolarHBondContact SG-NE2 3.38Å; H311-H315 AromaticContact CD2-NE2 3.89Å; H311-H315 AromaticContact CE1-CD2 3.93Å; H311-H315 AromaticContact CE1-NE2 3.34Å; H311-H315 PolarHBondContact CE1-NE2 3.43Å; H311-H315 VanDerWaalsContact CE1-NE2 3.34Å; H311-H315 AromaticContact NE2-CD2 3.7Å; H311-H315 AromaticContact NE2-NE2 3.03Å; H311-H315 PolarHBondContact NE2-NE2 3.29Å; R312-H315 PolarHBondContact O-N 2.97Å; H315-P317 WeakPolarHBondContact O-CD 3.37Å
316K80.5Confident65.4Low165 Ų165110.5 Ų110.572%0.71763%0.625SS**SBendtrans-78.3101.4169.1-164.775.4177.2-178.90108.5W314 R318W314-K316 VanDerWaalsContact C-N 3.33Å; K316-R318 PolarHBondContact O-N 2.83Å
317P65.6Low63.5Low106 Ų106114.3 Ų114.369%0.68864%0.641SS**PPolyproline II helixtrans-59.1128.2172.426.9-35.2000108.1H315 P319H315-P317 WeakPolarHBondContact O-CD 3.37Å; P317-P319 WeakPolarHBondContact O-CD 3.33Å
318R52.2Low61.1Low236 Ų236115.3 Ų115.389%0.89166%0.655SS**PPolyproline II helixtrans-61.1119.4173-174.5-179.1-166-1272.7106.9K316 A320K316-R318 PolarHBondContact O-N 2.83Å; R318-A320 PolarHBondContact O-N 2.91Å
319P48.8Very low58.6Low116 Ų116119.7 Ų119.775%0.75369%0.688SS**PPolyproline II helixtrans-59.8119.2177.623.8-32.3000108.2P317P317-P319 WeakPolarHBondContact O-CD 3.33Å
320A47.8Very low56.4Low92 Ų92121.9 Ų121.976%0.7671%0.706SS**PPolyproline II helixtrans-63.7134.4164.800000107.2R318 A322R318-A320 PolarHBondContact O-N 2.91Å; A320-A322 PolarHBondContact O-N 3.32Å
321A45.4Very low53.9Low101 Ų101126.2 Ų126.284%0.83572%0.724SS**  trans-66.1105.1176.700000108.6N323A321-N323 PolarHBondContact O-N 3.16Å; A321-N323 VanDerWaalsContact O-N 3.16Å
322A40.4Very low51.2Low95 Ų95127.9 Ų127.979%0.78575%0.75SS**  trans-76.8100.4-179.300000110A320A320-A322 PolarHBondContact O-N 3.32Å
323N35.2Very low48.6Very low163 Ų163131.8 Ų131.887%0.87277%0.77SS**  trans-100.397.9154.8-77-15000106.8A321A321-N323 PolarHBondContact O-N 3.16Å; A321-N323 VanDerWaalsContact O-N 3.16Å
324A34.8Very low46.6Very low83 Ų83127.5 Ų127.569%0.68677%0.769SS**  trans-70.9140.4178.500000110.7T326A324-T326 PolarHBondContact O-N 2.88Å
325A37.4Very low45.5Very low104 Ų104121.7 Ų121.786%0.8676%0.76SS**  trans-8293.7164.500000108.8
326T35.8Very low43Very low118 Ų118124.2 Ų124.272%0.72478%0.784SS**  trans-86.9113.1165.748.40000109.2A324A324-T326 PolarHBondContact O-N 2.88Å
327V39.3Very low40.8Very low144 Ų144121.2 Ų121.287%0.87378%0.784SS**  trans-70.2139.5167.8-71.10000110
328S33.4Very low39.2Very low109 Ų109121.2 Ų121.276%0.76279%0.786SS**  trans-139.3126.2174.9-63.90000109.8
329S33.1Very low38.5Very low120 Ų120115.6 Ų115.684%0.83978%0.784SS**  trans-151.1117.7172.9-70.30000109.6
330A39.5Very low37.9Very low96 Ų96115.3 Ų115.379%0.79378%0.784SS**  trans59.6163.4170.900000115.8
331D34Very low37.3Very low160 Ų160115.1 Ų115.186%0.85678%0.783SS**  cis-155.7-179.60.2-144.3-46.4000109.9
332G32.9Very low37Very low67 Ų67115.7 Ų115.769%0.69178%0.781SS**  trans86.9149.5147.500000120.4
333K32.8Very low37.3Very low204 Ų204122 Ų12289%0.88778%0.784SS**  trans-172.1160.3-174.2-163163.8176.7179.40107.8
334P45.5Very low37.3Very low114 Ų114120.9 Ų120.974%0.7478%0.778SS**  cis-115.4-95.111.118.97.1000119.3
335P58.8Low38Very low104 Ų104122.6 Ų122.668%0.67579%0.785SS**  trans-143.4-161.2-132.148.2-27.7000118.4
336S30.7Very low37.9Very low111 Ų111120.8 Ų120.878%0.77678%0.777SS**  trans81.4144.3160.6760000118.6
337S33.1Very low37.9Very low102 Ų102119.9 Ų119.971%0.71378%0.781SS**  cis-164.4143.5-17.944.40000113.4
338S33.4Very low38Very low106 Ų106121.1 Ų121.174%0.74178%0.781SS**  trans15.9125.7150.660.10000122.4
339S36.9Very low38.3Very low119 Ų119119.7 Ų119.783%0.83278%0.776SS**  trans161.6157.9131.750.80000111
340S36.3Very low38.2Very low109 Ų109118.6 Ų118.676%0.76277%0.768SS**  cis-164.7130.2-31.852.60000112.5
341A35.3Very low37.8Very low89 Ų89122.8 Ų122.874%0.73677%0.769SS**  trans58.5129142.600000124.2
342S39.3Very low38.1Very low113 Ų113120.9 Ų120.979%0.7976%0.758SS**  trans72.6156.114684.40000118
343R44.9Very low38.3Very low227 Ų227125 Ų12586%0.85776%0.759SS**  cis-131.2133.8-1.1-84.7-171.6156.5127.6-6.4108
344D36.9Very low38.4Very low140 Ų140123.3 Ų123.375%0.74975%0.754SS**  70.1117.977.4-176.535.1000116.2
345S47.9Very low37.7Very low119 Ų119120.8 Ų120.883%0.83275%0.75SS**  trans-179.2105.2150.6-79.10000111.9
346G35.7Very low36.6Very low66 Ų66124.2 Ų124.268%0.6875%0.754SS**  trans59.4114.3161.400000118.4
347A37.1Very low36.7Very low99 Ų99126.8 Ų126.882%0.81875%0.754SS**  cis56.8134.938.400000112.1
348I41.2Very low36.7Very low169 Ų169129 Ų12987%0.86776%0.757SS**  cis-154.7153.532.7-73.4176.2000107.4
349A38.2Very low36.4Very low79 Ų79129.3 Ų129.365%0.65376%0.76SS**  cis-163.7155.4-21.100000110.9
350S32.7Very low36.4Very low98 Ų98135 Ų13569%0.68576%0.763SS**  trans28.9132.8134.8-45.10000122.1
351F30.9Very low36.3Very low184 Ų184137 Ų13781%0.80776%0.764SS**  -168.9122.594.4-108.1-104.2000106.5
352L40Very low36.3Very low119 Ų119141.4 Ų141.462%0.62377%0.769SS**  54.2133.683.7-52.9179.9000113.1
353E37Very low36.1Very low153 Ų153147.1 Ų147.172%0.71577%0.773SS**  cis-158.3149.30.9-122.1166.4-16500109.8
354E34Very low35.7Very low169 Ų169142.8 Ų142.879%0.7977%0.772SS**  66.6147.8112.9-166.5159.3146.600118.1
355G30.7Very low35.4Very low62 Ų62140.2 Ų140.264%0.63977%0.77SS**  trans113.7111-173.300000111.8
356K35.8Very low34.7Very low175 Ų175141.7 Ų141.776%0.76177%0.769SS**  cis65.3118.724.6-135.3158170.9-172.90109.6
357E33.6Very low34.7Very low166 Ų166146.9 Ų146.978%0.77678%0.776SS**  cis-162.7-163.816.459.7-171.784.100115.9
358N32.2Very low34.5Very low147 Ų147149.8 Ų149.879%0.78677%0.772SS**  trans-72.1138.7-169.1-50.6-76000115.3
359S28.8Very low34.3Very low114 Ų114147 Ų14780%0.79776%0.764SS**  -174.9123.4128.6340000109.4
360R35.5Very low34Very low239 Ų239151.2 Ų151.290%0.90277%0.771SS**  63.899.266.4-167.3-165.4-170.6-156.33.5113.7
361I34.4Very low33.8Very low151 Ų151151.1 Ų151.177%0.77478%0.776SS**  trans-150.2126.6138.8-95.3141.6000107.5R363I361-R363 HydrophobicContact CG2-CG 4.1Å
362E35.3Very low33.9Very low180 Ų180153.2 Ų153.284%0.84178%0.778SS**  trans-86135.8156.9-77.2-169.5103.300108.4
363R35.5Very low33.5Very low233 Ų233155 Ų15588%0.87979%0.788SS**  trans-130.594.2159.8-92.4-173.9172166.2-0.7110.1I361 A365I361-R363 HydrophobicContact CG2-CG 4.1Å; R363-A365 PolarHBondContact O-N 2.94Å
364T36.4Very low33.4Very low136 Ų136153.7 Ų153.783%0.83480%0.796SS**  trans-62.7115.115949.50000109.2
365A30.7Very low33.3Very low87 Ų87151.8 Ų151.872%0.71980%0.801SS**  trans-143.6110.7166.700000108.9R363R363-A365 PolarHBondContact O-N 2.94Å
366D32.3Very low33.5Very low150 Ų150152.4 Ų152.480%0.80281%0.808SS**  trans-73135.5169.1-152.9-56.5000108.9
367Q36.2Very low33.5Very low175 Ų175150.3 Ų150.382%0.81881%0.81SS**  trans-17183.9161.4-110.4152.3113.700110.9P369Q367-P369 WeakPolarHBondContact O-CD 3.38Å
368H34.1Very low33.3Very low159 Ų159149.5 Ų149.574%0.73681%0.811SS**PPolyproline II helixtrans-68.2118.8153.8-175.5-31.5000108Q370H368-Q370 PolarHBondContact O-N 3.35Å
369P34.9Very low33.4Very low110 Ų110150.8 Ų150.871%0.71481%0.812SS**PPolyproline II helixtrans-65126.2173.426.5-32.8000109Q367Q367-P369 WeakPolarHBondContact O-CD 3.38Å
370Q32Very low33.4Very low169 Ų169153.8 Ų153.879%0.7981%0.813SS**PPolyproline II helixtrans-77.5131.1170.5-71.8-167.8-13.100109.3H368H368-Q370 PolarHBondContact O-N 3.35Å
371A29.6Very low33.6Very low95 Ų95146.7 Ų146.779%0.78580%0.798SS**PPolyproline II helixtrans-66.9130.7159.400000108.5
372R32.2Very low33.2Very low229 Ų229147 Ų14786%0.86480%0.802SS**  trans-114.5124.7164.1-95.8-168.1166.7-153.1-4108.4
373D31.6Very low33Very low155 Ų155143.3 Ų143.383%0.82980%0.795SS**  trans-68.5128.4172.4-49.7-85.3000109.8
374S34.6Very low32.9Very low126 Ų126136.5 Ų136.588%0.88179%0.789SS**  trans-172.1104.4160.8-81.30000111.5
375S33.3Very low33.3Very low129 Ų129135.4 Ų135.490%0.90279%0.785SS**  trans-15195.8158.259.60000108.1
376G34.3Very low33.3Very low75 Ų75143.2 Ų143.277%0.77380%0.795SS**  trans-138.7102.6-179.600000111.2
377T35.3Very low33.4Very low132 Ų132145.5 Ų145.581%0.8180%0.801SS**  trans-156.8153162.4380000106.2
378D29.6Very low33.1Very low149 Ų149140.9 Ų140.980%0.79780%0.8SS**  cis-142.3175.93.9-136.2-57.4000111.6
379Q34.3Very low33Very low173 Ų173140.3 Ų140.381%0.80880%0.802SS**  trans-122.4132.7-178.1-64.6176.166.400112.5
380H28.8Very low32.8Very low177 Ų177144 Ų14482%0.81981%0.809SS**  trans-161138.9132.5-144.8-95.2000112.4
381P39.8Very low32.6Very low91 Ų91141.3 Ų141.359%0.59180%0.804SS**  trans-87.4163164.836-34.3000111.7
382D25.6Very low32.6Very low158 Ų158143.7 Ų143.785%0.84580%0.803SS**  trans-129.8164.7162-144.6-34.1000109.6
383S32Very low32.4Very low101 Ų101137.7 Ų137.771%0.70679%0.792SS**  trans-154.2170.2-160.1-77.60000115.7
384A33.5Very low32.3Very low91 Ų91138.4 Ų138.475%0.75279%0.79SS**  trans79.3168.5169.800000115.9
385P44.1Very low32.6Very low113 Ų113138 Ų13873%0.73479%0.785SS**  -137.7167-57.137.5-25.1000113.4
386R31.4Very low32.3Very low250 Ų250139.6 Ų139.694%0.94378%0.778SS**  trans-143.3145.3143.3-79.3-149.1160.9-153.2-10.1112.6
387Q34.2Very low32.6Very low199 Ų199141.1 Ų141.193%0.9377%0.774SS**  trans-125.5156.6172.6-68.4-179.9-13.300109.2
388G29.2Very low33Very low77 Ų77139.3 Ų139.379%0.79476%0.764SS**  trans175.5118.117300000110.1
389L32.5Very low33Very low148 Ų148139.7 Ų139.778%0.77577%0.766SS**  trans-121.3144.4-168.9-83.8164.8000112.5
390Q30.3Very low33.2Very low186 Ų186137.3 Ų137.387%0.86977%0.765SS**  trans-178.4123.3130.2-93.4149.7110.700107.5
391V29.6Very low33.3Very low113 Ų113138 Ų13869%0.68577%0.769SS**  80.1108.150.5176.40000109.9
392L28.4Very low32.8Very low146 Ų146137 Ų13776%0.76478%0.775SS**  -157.7143.375.3-92.5174.9000115.6
393T28.2Very low33.4Very low102 Ų102135 Ų13563%0.62677%0.771SS**  trans33.8152.3141.254.70000123.4
394H28.8Very low33.4Very low171 Ų171138.9 Ų138.979%0.79277%0.771SS**  cis-169.7178.48-107.8-46.2000108
395P41.2Very low33.3Very low118 Ų118140.5 Ų140.577%0.76677%0.772SS**  cis-131.1-166.6-29.539.8-20.5000114.2
396E26.6Very low32.9Very low161 Ų161141.9 Ų141.975%0.75277%0.769SS**  trans-86.8-175.3179.4-127.6-142.712100113.5
397P41.8Very low32.9Very low108 Ų108133.7 Ų133.770%0.70176%0.762SS**  cis-135.8-150.610.342.5-17.8000115.1
398P42.9Very low33.1Very low93 Ų93130.7 Ų130.760%0.60476%0.757SS**  -136.3155.8-98.741.2-21.5000120.2
399L30.1Very low33.6Very low158 Ų158136.8 Ų136.883%0.82776%0.762SS**  trans65.5167.4150.5-69.8175.1000119.7
400P39Very low33.8Very low123 Ų123133 Ų13380%0.79976%0.759SS**  cis-123.1176.32.442.2-28.5000116.3
401Q30.5Very low33.9Very low191 Ų191135.6 Ų135.689%0.89376%0.761SS**  trans-95.2155.3173.3-64.6-177.9-6.500112.9
402G29.4Very low34.3Very low70 Ų70140.9 Ų140.972%0.72277%0.769SS**  trans-129.5133.4167.100000111.2
403P37.1Very low35Very low117 Ų117139.5 Ų139.576%0.7677%0.766SS**  trans-90.9143.6-168.434.1-35.5000115.1
404Y32.5Very low35.6Very low182 Ų182140.1 Ų140.171%0.71477%0.772SS**  trans-55.6138.8156.4160.9-85.4000111.1E406Y404-E406 HydrophobicContact CE1-CG 3.9Å; Y404-E406 VanDerWaalsContact OH-CD 3.3Å; Y404-E406 VanDerWaalsContact OH-CG 3.23Å; Y404-E406 WeakPolarHBondContact OH-CG 3.34Å; Y404-E406 PolarHBondContact OH-OE2 2.81Å
405T32.3Very low36.1Very low125 Ų125138.1 Ų138.177%0.76777%0.771SS**  trans-140129.2165.244.80000111.6
406E34.5Very low36.3Very low141 Ų141138.2 Ų138.266%0.65977%0.772SS**  trans-72.6144.6169.3-77.1166.386.800111.5Y404 V408Y404-E406 HydrophobicContact CE1-CG 3.9Å; Y404-E406 VanDerWaalsContact OH-CD 3.3Å; Y404-E406 VanDerWaalsContact OH-CG 3.23Å; Y404-E406 WeakPolarHBondContact OH-CG 3.34Å; Y404-E406 PolarHBondContact OH-OE2 2.81Å; E406-V408 VanDerWaalsContact C-N 3.34Å; E406-V408 PolarHBondContact O-N 2.95Å
407G32.4Very low36.8Very low79 Ų79134 Ų13481%0.81477%0.772SS**  trans-70.684.3172.100000112.1F409G407-F409 PolarHBondContact O-N 3.27Å
408V38Very low36.4Very low135 Ų135135 Ų13582%0.81878%0.781SS**  trans-56.6126.6-177.71720000112.5E406E406-V408 VanDerWaalsContact C-N 3.34Å; E406-V408 PolarHBondContact O-N 2.95Å
409F38.8Very low36.2Very low206 Ų206137.5 Ų137.590%0.90480%0.795SS**SBendtrans-64.6137.6171.8-77.6-98.2000112.4G407G407-F409 PolarHBondContact O-N 3.27Å
410G37.4Very low36.9Very low69 Ų69136.1 Ų136.171%0.71180%0.798SS**  trans99.567.615500000116.8R412G410-R412 PolarHBondContact O-N 3.21Å
411R33.2Very low37.1Very low239 Ų239134 Ų13490%0.90280%0.799SS**  trans-6893.4168.1-159.5178-155.5-97.64.7110.8
412R37.6Very low37.6Very low225 Ų225128.4 Ų128.485%0.84979%0.793SS**  trans-64.3144.5165.3-68-165.7-166.5-119.211.1109.5G410G410-R412 PolarHBondContact O-N 3.21Å
413V43.2Very low38.6Very low116 Ų116129.2 Ų129.270%0.70380%0.801SS**  trans-103.5111.6160.9178.40000107.3V415V413-V415 PolarHBondContact O-N 3.48Å
414P39.9Very low38.9Very low115 Ų115126.8 Ų126.875%0.74780%0.797SS**PPolyproline II helixtrans-74.9118.3172.1-12.228.7000109.7
415V39.5Very low40.2Very low130 Ų130122.2 Ų122.279%0.78879%0.792SS**PPolyproline II helixtrans-94118.6163.2178.90000107.2V413V413-V415 PolarHBondContact O-N 3.48Å
416P46.4Very low42.3Very low120 Ų120122.9 Ų122.978%0.77979%0.786SS**PPolyproline II helixtrans-77.6134.7179.730.6-33.1000111.3
417G36.5Very low44.8Very low72 Ų72121.3 Ų121.374%0.74278%0.781SS**  trans94.686.7160.200000117.2
418S33.3Very low47.6Very low130 Ų130119.7 Ų119.791%0.90975%0.752SS**  trans-161150.1135.3-85.10000110.5
419T38.8Very low50Low145 Ų145116.4 Ų116.489%0.8973%0.732SS**  trans-83.4165.2-170420000114
420S43.9Very low52.4Low128 Ų128106.6 Ų106.690%0.89569%0.689SS**SBendtrans-52.7145.2-179-173.40000114.5
421G44.6Very low54.7Low79 Ų79107.3 Ų107.381%0.81468%0.681SS**  trans122.855.8157.400000117.5
422G39.9Very low57Low74 Ų74103.8 Ų103.876%0.76367%0.669SS**  trans-159.8127172.100000114.1G424G422-G424 PolarHBondContact O-N 2.74Å
423G51.4Low59.2Low87 Ų8795.1 Ų95.190%0.89764%0.642SS**  trans-7560.3179.600000114S425G423-S425 PolarHBondContact O-N 3.25Å
424G42.6Very low60.8Low66 Ų6696.1 Ų96.168%0.6864%0.639SS**  trans-60.3122.5176.400000111.6G422 E426G422-G424 PolarHBondContact O-N 2.74Å; G424-E426 PolarHBondContact O-N 3.41Å; G424-E426 VanDerWaalsContact O-N 3.08Å
425S59.2Low62.9Low85 Ų8596.3 Ų96.359%0.59463%0.628SS**  trans-75.494.5171.5-680000109.5G423 I427G423-S425 PolarHBondContact O-N 3.25Å; S425-I427 VanDerWaalsContact O-CG1 3.3Å; S425-I427 WeakPolarHBondContact O-CG1 3.49Å; S425-I427 PolarHBondContact O-N 3.01Å; S425-I427 VanDerWaalsContact O-N 3.14Å
426E77.7Confident65.1Low140 Ų14097.7 Ų97.765%0.65462%0.624SS**  trans-52120.6174.7-70.3-171.4124.400110.6G424 F428G424-E426 PolarHBondContact O-N 3.41Å; G424-E426 VanDerWaalsContact O-N 3.08Å; E426-F428 HydrophobicContact CB-CD2 4.34Å; E426-F428 HydrophobicContact CB-CE1 4.23Å; E426-F428 HydrophobicContact CB-CE2 3.56Å; E426-F428 HydrophobicContact CB-CZ 3.5Å; E426-F428 HydrophobicContact CG-CZ 4.38Å; E426-F428 VanDerWaalsContact O-CD2 3.23Å; E426-F428 WeakPolarHBondContact O-CD2 3.34Å; E426-F428 VanDerWaalsContact O-CE2 3.3Å; E426-F428 WeakPolarHBondContact O-CE2 3.39Å; E426-F428 PolarHBondContact O-N 3.39Å; E426-F428 VanDerWaalsContact OE2-CZ 3.3Å; E426-F428 WeakPolarHBondContact OE2-CZ 3.25Å
427I86.4Confident67.1Low107 Ų10794 Ų9455%0.54960%0.595SS.*  trans-96.692.7-177.7-53.5-174.3000108.2S425 V429 K436S425-I427 VanDerWaalsContact O-CG1 3.3Å; S425-I427 WeakPolarHBondContact O-CG1 3.49Å; S425-I427 PolarHBondContact O-N 3.01Å; S425-I427 VanDerWaalsContact O-N 3.14Å; I427-V429 PolarHBondContact O-N 3.16Å; I427-K436 HydrophobicContact CG2-CB 3.72Å; I427-K436 HydrophobicContact CG2-CD 4.13Å; I427-K436 HydrophobicContact CG2-CG 4.15Å
428F90.8Very high69.6Low46 Ų46100.5 Ų100.520%0.20260%0.597CS.*EExtended strand (participates in β ladder)trans-72.8121.7179.1-57.2-83.5000109.9E426 F437 Q440 L443E426-F428 HydrophobicContact CB-CD2 4.34Å; E426-F428 HydrophobicContact CB-CE1 4.23Å; E426-F428 HydrophobicContact CB-CE2 3.56Å; E426-F428 HydrophobicContact CB-CZ 3.5Å; E426-F428 HydrophobicContact CG-CZ 4.38Å; E426-F428 VanDerWaalsContact O-CD2 3.23Å; E426-F428 WeakPolarHBondContact O-CD2 3.34Å; E426-F428 VanDerWaalsContact O-CE2 3.3Å; E426-F428 WeakPolarHBondContact O-CE2 3.39Å; E426-F428 PolarHBondContact O-N 3.39Å; E426-F428 VanDerWaalsContact OE2-CZ 3.3Å; E426-F428 WeakPolarHBondContact OE2-CZ 3.25Å; F428-F437 HydrophobicContact CB-CB 4.45Å; F428-F437 PolarHBondContact N-O 3.5Å; F428-F437 PolarHBondContact O-N 3.36Å; F428-Q440 HydrophobicContact CD1-CB 4Å; F428-Q440 HydrophobicContact CD1-CG 4.35Å; F428-Q440 HydrophobicContact CD2-CB 4.24Å; F428-Q440 VanDerWaalsContact CD2-N 3.29Å; F428-Q440 HydrophobicContact CE1-CB 3.8Å; F428-Q440 HydrophobicContact CE1-CG 4.25Å; F428-Q440 HydrophobicContact CE2-CB 4.05Å; F428-Q440 HydrophobicContact CG-CB 4.21Å; F428-Q440 HydrophobicContact CZ-CB 3.82Å; F428-L443 HydrophobicContact CB-CB 4.06Å; F428-L443 HydrophobicContact CB-CD2 3.77Å
429V88.1Confident72.2Confident65 Ų65101.9 Ų101.939%0.39458%0.583SS.*EExtended strand (participates in β ladder)trans-107133.1-176.2-172.70000110I427 H434 K435 K436I427-V429 PolarHBondContact O-N 3.16Å; V429-H434 HydrophobicContact CG1-CB 4.26Å; V429-K435 WeakPolarHBondContact CA-O 3.04Å; V429-K436 HydrophobicContact CG2-CG 4.27Å
430C90.8Very high74.6Confident0 Ų099 Ų990%056%0.559CS.*  trans-70.8125.9172.9-177.30000111Y432 H434 K435 F437 L443 H446C430-Y432 VanDerWaalsContact C-N 3.27Å; C430-Y432 PolarHBondContact O-N 3.36Å; C430-H434 WeakPolarHBondContact O-CA 3.18Å; C430-H434 PolarHBondContact O-N 2.75Å; C430-K435 HydrophobicContact CB-CB 4.46Å; C430-K435 PolarHBondContact N-O 3.08Å; C430-F437 HydrophobicContact CB-CE2 4.34Å; C430-L443 HydrophobicContact CB-CD1 3.69Å; C430-H446 PolarHBondContact SG-NE2 3.49Å
431P84.9Confident76.8Confident85 Ų8595.6 Ų95.655%0.55254%0.538SS*.THydrogen-bonded Turntrans-68-26.4178.328.3-34.2000112.8L447P431-L447 HydrophobicContact CG-CD2 4.46Å
432Y80.9Confident78.9Confident165 Ų16598.1 Ų98.165%0.64752%0.524SS*.THydrogen-bonded Turntrans-88.5-16.4-175-58.6-67000115.1C430 L447 H450C430-Y432 VanDerWaalsContact C-N 3.27Å; C430-Y432 PolarHBondContact O-N 3.36Å; Y432-L447 HydrophobicContact CD2-CD2 4.09Å; Y432-L447 HydrophobicContact CE2-CD2 4.27Å; Y432-H450 VanDerWaalsContact CB-CE1 3.41Å; Y432-H450 WeakPolarHBondContact CB-CE1 3.28Å; Y432-H450 HydrophobicContact CD2-CB 4.29Å
433C85.3Confident81.3Confident43 Ų4395.1 Ų95.129%0.29149%0.491SS..THydrogen-bonded Turntrans-157.118.3179.165.50000114.9K435 H446C433-K435 PolarHBondContact O-N 3.46Å; C433-K435 VanDerWaalsContact SG-CE 3.55Å; C433-H446 VanDerWaalsContact SG-CE1 3.53Å; C433-H446 PolarHBondContact SG-NE2 2.96Å
434H76.5Confident83.2Confident137 Ų13798.6 Ų98.663%0.63448%0.477SS*.  trans52.615.4173-53-69000117.4V429 C430 K436V429-H434 HydrophobicContact CG1-CB 4.26Å; C430-H434 WeakPolarHBondContact O-CA 3.18Å; C430-H434 PolarHBondContact O-N 2.75Å; H434-K436 PolarHBondContact O-N 2.95Å
435K83.3Confident85.4Confident118 Ų118103.3 Ų103.351%0.51348%0.479SS..  trans-62.4131.2173.5-65.2-176.5-160.3-53.70110.2V429 C430 C433 F437V429-K435 WeakPolarHBondContact CA-O 3.04Å; C430-K435 HydrophobicContact CB-CB 4.46Å; C430-K435 PolarHBondContact N-O 3.08Å; C433-K435 PolarHBondContact O-N 3.46Å; C433-K435 VanDerWaalsContact SG-CE 3.55Å; K435-F437 HydrophobicContact CB-CE2 3.56Å; K435-F437 HydrophobicContact CB-CZ 3.84Å; K435-F437 VanDerWaalsContact O-CD2 3.3Å; K435-F437 WeakPolarHBondContact O-CD2 3.41Å; K435-F437 VanDerWaalsContact O-CE2 3.29Å; K435-F437 WeakPolarHBondContact O-CE2 3.42Å
436K85.1Confident86.8Confident160 Ų160100.5 Ų100.570%0.69646%0.456SS*.EExtended strand (participates in β ladder)trans-98125.4-175.3-60.6-171.5178.4-176.60111.1I427 V429 H434I427-K436 HydrophobicContact CG2-CB 3.72Å; I427-K436 HydrophobicContact CG2-CD 4.13Å; I427-K436 HydrophobicContact CG2-CG 4.15Å; V429-K436 HydrophobicContact CG2-CG 4.27Å; H434-K436 PolarHBondContact O-N 2.95Å
437F90.1Very high87.3Confident42 Ų4295.8 Ų95.818%0.18444%0.435CS..EExtended strand (participates in β ladder)trans-121.9136.1-176.7-61-90.3000111.3F428 C430 K435 R439 L443 H446F428-F437 HydrophobicContact CB-CB 4.45Å; F428-F437 PolarHBondContact N-O 3.5Å; F428-F437 PolarHBondContact O-N 3.36Å; C430-F437 HydrophobicContact CB-CE2 4.34Å; K435-F437 HydrophobicContact CB-CE2 3.56Å; K435-F437 HydrophobicContact CB-CZ 3.84Å; K435-F437 VanDerWaalsContact O-CD2 3.3Å; K435-F437 WeakPolarHBondContact O-CD2 3.41Å; K435-F437 VanDerWaalsContact O-CE2 3.29Å; K435-F437 WeakPolarHBondContact O-CE2 3.42Å; F437-R439 VanDerWaalsContact C-N 3.28Å; F437-R439 PolarHBondContact O-N 2.78Å; F437-L443 HydrophobicContact CB-CB 4.31Å; F437-L443 HydrophobicContact CD2-CB 4.02Å; F437-L443 HydrophobicContact CD2-CD1 3.89Å; F437-L443 HydrophobicContact CE2-CD1 3.95Å; F437-L443 HydrophobicContact CG-CB 4.25Å; F437-H446 HydrophobicContact CE1-CB 4.17Å; F437-H446 HydrophobicContact CE2-CB 4.32Å; F437-H446 AromaticContact CE2-CD2 3.33Å; F437-H446 WeakPolarHBondContact CE2-CD2 3.46Å; F437-H446 HydrophobicContact CZ-CB 3.7Å; F437-H446 AromaticContact CZ-CD2 3.26Å; F437-H446 WeakPolarHBondContact CZ-CD2 3.09Å; F437-H446 AromaticContact CZ-CG 3.56Å
438R87.7Confident87.2Confident209 Ų20993.4 Ų93.479%0.78943%0.428SS*.SBendtrans-79.90.7177.5-69.4-171.7176.7-171.8-2.6114.9
439R89.3Confident86.7Confident159 Ų15995.6 Ų95.660%0.645%0.445SS*.SBendtrans-151.3133.4179.3-59.3-172.3-176.4-176.5-1.7110.4F437 A441 Y442 L443F437-R439 VanDerWaalsContact C-N 3.28Å; F437-R439 PolarHBondContact O-N 2.78Å; R439-A441 PolarHBondContact O-N 2.95Å; R439-Y442 HydrophobicContact CB-CD2 3.78Å; R439-Y442 HydrophobicContact CB-CE2 4.11Å; R439-Y442 HydrophobicContact CB-CG 4.5Å; R439-Y442 HydrophobicContact CG-CD2 4.19Å; R439-Y442 HydrophobicContact CG-CE2 4.08Å; R439-Y442 PolarHBondContact O-N 2.91Å; R439-L443 PolarHBondContact O-N 2.85Å
440Q88.1Confident86.3Confident84 Ų8495.5 Ų95.539%0.39344%0.44SS..Hα-helixtrans-57.1-32.9179.8-175.664.1-38.700113.2F428 Y442 L443 R444F428-Q440 HydrophobicContact CD1-CB 4Å; F428-Q440 HydrophobicContact CD1-CG 4.35Å; F428-Q440 HydrophobicContact CD2-CB 4.24Å; F428-Q440 VanDerWaalsContact CD2-N 3.29Å; F428-Q440 HydrophobicContact CE1-CB 3.8Å; F428-Q440 HydrophobicContact CE1-CG 4.25Å; F428-Q440 HydrophobicContact CE2-CB 4.05Å; F428-Q440 HydrophobicContact CG-CB 4.21Å; F428-Q440 HydrophobicContact CZ-CB 3.82Å; Q440-Y442 VanDerWaalsContact C-N 3.29Å; Q440-Y442 PolarHBondContact O-N 2.93Å; Q440-L443 PolarHBondContact O-N 2.97Å; Q440-R444 WeakPolarHBondContact O-CG 3.44Å; Q440-R444 PolarHBondContact O-N 2.83Å
441A91.3Very high85.2Confident56 Ų56100.6 Ų100.646%0.46346%0.464SS..Hα-helixtrans-61.2-34.1175.600000113.5R439 K445R439-A441 PolarHBondContact O-N 2.95Å; A441-K445 PolarHBondContact O-N 3.24Å; A441-K445 VanDerWaalsContact O-N 3.15Å
442Y87.4Confident84Confident132 Ų13299.7 Ų99.752%0.51846%0.464SS..Hα-helixtrans-79-32.6176.4-59.5-42.6000112.2R439 Q440 H446R439-Y442 HydrophobicContact CB-CD2 3.78Å; R439-Y442 HydrophobicContact CB-CE2 4.11Å; R439-Y442 HydrophobicContact CB-CG 4.5Å; R439-Y442 HydrophobicContact CG-CD2 4.19Å; R439-Y442 HydrophobicContact CG-CE2 4.08Å; R439-Y442 PolarHBondContact O-N 2.91Å; Q440-Y442 VanDerWaalsContact C-N 3.29Å; Q440-Y442 PolarHBondContact O-N 2.93Å; Y442-H446 WeakPolarHBondContact O-CB 3.41Å; Y442-H446 PolarHBondContact O-N 3.33Å
443L91.6Very high82.7Confident12 Ų1294 Ų946%0.06346%0.455CS..Hα-helixtrans-62.4-51.5168.9175.756.2000110.1F428 C430 F437 R439 Q440 K445 H446 L447F428-L443 HydrophobicContact CB-CB 4.06Å; F428-L443 HydrophobicContact CB-CD2 3.77Å; C430-L443 HydrophobicContact CB-CD1 3.69Å; F437-L443 HydrophobicContact CB-CB 4.31Å; F437-L443 HydrophobicContact CD2-CB 4.02Å; F437-L443 HydrophobicContact CD2-CD1 3.89Å; F437-L443 HydrophobicContact CE2-CD1 3.95Å; F437-L443 HydrophobicContact CG-CB 4.25Å; R439-L443 PolarHBondContact O-N 2.85Å; Q440-L443 PolarHBondContact O-N 2.97Å; L443-K445 PolarHBondContact O-N 3.14Å; L443-H446 CarbonylContact O-C 3.48Å; L443-H446 WeakPolarHBondContact O-CA 3.38Å; L443-H446 WeakPolarHBondContact O-CB 3.48Å; L443-H446 PolarHBondContact O-N 3.33Å; L443-L447 HydrophobicContact CD1-CD1 4.45Å; L443-L447 HydrophobicContact CD1-CD2 3.93Å; L443-L447 HydrophobicContact CD1-CG 3.93Å; L443-L447 HydrophobicContact CG-CD1 4.19Å; L443-L447 HydrophobicContact CG-CG 4.13Å; L443-L447 WeakPolarHBondContact O-CG 3.46Å; L443-L447 PolarHBondContact O-N 3.29Å
444R89.4Confident81.1Confident159 Ų15995 Ų9560%0.646%0.462SS*.Hα-helixtrans-54.1-48.4178.4-70.6-168.7-62-152.14.2112.7Q440 H446 L447 S448Q440-R444 WeakPolarHBondContact O-CG 3.44Å; Q440-R444 PolarHBondContact O-N 2.83Å; R444-H446 PolarHBondContact O-N 2.91Å; R444-H446 VanDerWaalsContact O-N 3.17Å; R444-L447 PolarHBondContact O-N 2.97Å; R444-L447 VanDerWaalsContact O-N 3.12Å; R444-S448 PolarHBondContact O-N 3.45Å; R444-S448 VanDerWaalsContact O-N 3.13Å; R444-S448 PolarHBondContact O-OG 2.84Å
445K90Very high79.7Confident166 Ų16693.6 Ų93.672%0.72246%0.464SS*.Hα-helixtrans-59.1-29175.9-174.9171.2-178.4175.40113.2A441 L443A441-K445 PolarHBondContact O-N 3.24Å; A441-K445 VanDerWaalsContact O-N 3.15Å; L443-K445 PolarHBondContact O-N 3.14Å
446H88.2Confident78Confident25 Ų2598.8 Ų98.812%0.11648%0.48CS..Hα-helixtrans-83.6-34.4175.316749.2000113.1C430 C433 F437 Y442 L443 R444 S448 T449 H450C430-H446 PolarHBondContact SG-NE2 3.49Å; C433-H446 VanDerWaalsContact SG-CE1 3.53Å; C433-H446 PolarHBondContact SG-NE2 2.96Å; F437-H446 HydrophobicContact CE1-CB 4.17Å; F437-H446 HydrophobicContact CE2-CB 4.32Å; F437-H446 AromaticContact CE2-CD2 3.33Å; F437-H446 WeakPolarHBondContact CE2-CD2 3.46Å; F437-H446 HydrophobicContact CZ-CB 3.7Å; F437-H446 AromaticContact CZ-CD2 3.26Å; F437-H446 WeakPolarHBondContact CZ-CD2 3.09Å; F437-H446 AromaticContact CZ-CG 3.56Å; Y442-H446 WeakPolarHBondContact O-CB 3.41Å; Y442-H446 PolarHBondContact O-N 3.33Å; L443-H446 CarbonylContact O-C 3.48Å; L443-H446 WeakPolarHBondContact O-CA 3.38Å; L443-H446 WeakPolarHBondContact O-CB 3.48Å; L443-H446 PolarHBondContact O-N 3.33Å; R444-H446 PolarHBondContact O-N 2.91Å; R444-H446 VanDerWaalsContact O-N 3.17Å; H446-S448 PolarHBondContact O-N 3.33Å; H446-T449 PolarHBondContact ND1-OG1 3.28Å; H446-T449 VanDerWaalsContact ND1-OG1 3.15Å; H446-T449 WeakPolarHBondContact O-CA 3.5Å; H446-T449 WeakPolarHBondContact O-CB 3.34Å; H446-T449 PolarHBondContact O-N 2.9Å; H446-T449 PolarHBondContact O-OG1 3.22Å; H446-H450 AromaticContact CE1-CD2 3.79Å; H446-H450 AromaticContact CE1-NE2 3.29Å; H446-H450 PolarHBondContact CE1-NE2 2.86Å; H446-H450 VanDerWaalsContact CE1-NE2 3.29Å; H446-H450 AromaticContact NE2-NE2 3.64Å
447L87.3Confident76.2Confident41 Ų4195 Ų9522%0.21548%0.478CS..Hα-helixtrans-56.9-40.6170.8-64.9178.9000110.5P431 Y432 L443 R444 T449 H450 E451P431-L447 HydrophobicContact CG-CD2 4.46Å; Y432-L447 HydrophobicContact CD2-CD2 4.09Å; Y432-L447 HydrophobicContact CE2-CD2 4.27Å; L443-L447 HydrophobicContact CD1-CD1 4.45Å; L443-L447 HydrophobicContact CD1-CD2 3.93Å; L443-L447 HydrophobicContact CD1-CG 3.93Å; L443-L447 HydrophobicContact CG-CD1 4.19Å; L443-L447 HydrophobicContact CG-CG 4.13Å; L443-L447 WeakPolarHBondContact O-CG 3.46Å; L443-L447 PolarHBondContact O-N 3.29Å; R444-L447 PolarHBondContact O-N 2.97Å; R444-L447 VanDerWaalsContact O-N 3.12Å; L447-T449 PolarHBondContact O-N 3.09Å; L447-T449 VanDerWaalsContact O-N 3.08Å; L447-H450 WeakPolarHBondContact O-CA 3.36Å; L447-H450 WeakPolarHBondContact O-CB 3.48Å; L447-H450 PolarHBondContact O-N 3.22Å; L447-E451 PolarHBondContact O-N 3.01Å
448S84.3Confident73.8Confident57 Ų5799.1 Ų99.140%0.39950%0.502SS..Hα-helixtrans-67.1-8.5174.2-51.30000115.6R444 H446 E451 A452R444-S448 PolarHBondContact O-N 3.45Å; R444-S448 VanDerWaalsContact O-N 3.13Å; R444-S448 PolarHBondContact O-OG 2.84Å; H446-S448 PolarHBondContact O-N 3.33Å; S448-E451 WeakPolarHBondContact CA-OE2 3.24Å; S448-E451 VanDerWaalsContact CB-OE2 3.24Å; S448-E451 WeakPolarHBondContact CB-OE2 3.31Å; S448-E451 PolarHBondContact OG-OE2 3.12Å; S448-A452 WeakPolarHBondContact O-CB 3.41Å; S448-A452 PolarHBondContact O-N 3.09Å
449T80.8Confident71.2Confident92 Ų9293.3 Ų93.356%0.56450%0.498SS*.Hα-helixtrans-82.2-19.7166.165.60000113.2H446 L447H446-T449 PolarHBondContact ND1-OG1 3.28Å; H446-T449 VanDerWaalsContact ND1-OG1 3.15Å; H446-T449 WeakPolarHBondContact O-CA 3.5Å; H446-T449 WeakPolarHBondContact O-CB 3.34Å; H446-T449 PolarHBondContact O-N 2.9Å; H446-T449 PolarHBondContact O-OG1 3.22Å; L447-T449 PolarHBondContact O-N 3.09Å; L447-T449 VanDerWaalsContact O-N 3.08Å
450H80.2Confident69.3Low63 Ų6392.2 Ų92.229%0.29251%0.512SS..Hα-helixtrans-81.4-43.8165.3-65.5-90.7000110.4Y432 H446 L447 A452 G453 S454Y432-H450 VanDerWaalsContact CB-CE1 3.41Å; Y432-H450 WeakPolarHBondContact CB-CE1 3.28Å; Y432-H450 HydrophobicContact CD2-CB 4.29Å; H446-H450 AromaticContact CE1-CD2 3.79Å; H446-H450 AromaticContact CE1-NE2 3.29Å; H446-H450 PolarHBondContact CE1-NE2 2.86Å; H446-H450 VanDerWaalsContact CE1-NE2 3.29Å; H446-H450 AromaticContact NE2-NE2 3.64Å; L447-H450 WeakPolarHBondContact O-CA 3.36Å; L447-H450 WeakPolarHBondContact O-CB 3.48Å; L447-H450 PolarHBondContact O-N 3.22Å; H450-A452 PolarHBondContact O-N 3.48Å; H450-G453 PolarHBondContact O-N 3.17Å; H450-G453 VanDerWaalsContact O-N 3.08Å; H450-S454 PolarHBondContact O-N 3.39Å
451E67.8Low67Low108 Ų10891.2 Ų91.251%0.50552%0.524SS..Hα-helixtrans-60.8-44178.1-59.1164.5157.600111.8L447 S448 G453 S454 V455L447-E451 PolarHBondContact O-N 3.01Å; S448-E451 WeakPolarHBondContact CA-OE2 3.24Å; S448-E451 VanDerWaalsContact CB-OE2 3.24Å; S448-E451 WeakPolarHBondContact CB-OE2 3.31Å; S448-E451 PolarHBondContact OG-OE2 3.12Å; E451-G453 PolarHBondContact O-N 3.16Å; E451-S454 PolarHBondContact O-N 3.24Å; E451-V455 WeakPolarHBondContact O-CG2 3.41Å; E451-V455 PolarHBondContact O-N 3.29Å
452A59.3Low64.2Low65 Ų6599.1 Ų99.154%0.53755%0.548SS..Hα-helixtrans-65.8-17.8176.300000114.3S448 H450S448-A452 WeakPolarHBondContact O-CB 3.41Å; S448-A452 PolarHBondContact O-N 3.09Å; H450-A452 PolarHBondContact O-N 3.48Å
453G54.8Low61.9Low45 Ų4596.4 Ų96.446%0.46456%0.56SS.*Hα-helixtrans-80-47.6165.800000111.6H450 E451 V455 R456H450-G453 PolarHBondContact O-N 3.17Å; H450-G453 VanDerWaalsContact O-N 3.08Å; E451-G453 PolarHBondContact O-N 3.16Å; G453-V455 PolarHBondContact O-N 3.15Å; G453-R456 PolarHBondContact O-N 3.25Å
454S50.9Low59.5Low64 Ų64100.9 Ų100.945%0.44859%0.593SS.*Hα-helixtrans-61.1-41.1-178.6-167.30000113.7H450 E451 R456 A457 L458H450-S454 PolarHBondContact O-N 3.39Å; E451-S454 PolarHBondContact O-N 3.24Å; S454-R456 PolarHBondContact O-N 3.29Å; S454-R456 VanDerWaalsContact O-N 3.15Å; S454-A457 WeakPolarHBondContact O-CA 3.34Å; S454-A457 WeakPolarHBondContact O-CB 3.14Å; S454-A457 PolarHBondContact O-N 2.78Å; S454-L458 PolarHBondContact O-N 2.85Å
455V47.4Very low57.5Low109 Ų109100.6 Ų100.666%0.66160%0.598SS**THydrogen-bonded Turntrans-64.9-20-180173.10000112.6E451 G453 A457E451-V455 WeakPolarHBondContact O-CG2 3.41Å; E451-V455 PolarHBondContact O-N 3.29Å; G453-V455 PolarHBondContact O-N 3.15Å; V455-A457 VanDerWaalsContact C-N 3.35Å
456R46.3Very low55.4Low227 Ų227104.1 Ų104.186%0.85761%0.607SS**THydrogen-bonded Turntrans-80.7-12.4170.6-68.8-170.6176-154.6-2.3114.1G453 S454G453-R456 PolarHBondContact O-N 3.25Å; S454-R456 PolarHBondContact O-N 3.29Å; S454-R456 VanDerWaalsContact O-N 3.15Å
457A47.2Very low53.7Low79 Ų79107 Ų10765%0.65364%0.644SS**THydrogen-bonded Turntrans-97-4.6175.400000113.1S454 V455S454-A457 WeakPolarHBondContact O-CA 3.34Å; S454-A457 WeakPolarHBondContact O-CB 3.14Å; S454-A457 PolarHBondContact O-N 2.78Å; V455-A457 VanDerWaalsContact C-N 3.35Å
458L40.8Very low52Low130 Ų130108.7 Ų108.768%0.68166%0.663SS**  trans-108.247-178.4-73.4168000112.5S454 P460S454-L458 PolarHBondContact O-N 2.85Å; L458-P460 WeakPolarHBondContact O-CD 3.49Å
459A33.8Very low50.6Low87 Ų87111.4 Ų111.472%0.71968%0.679SS**  trans-93.9107.8157.800000107.8G461A459-G461 PolarHBondContact O-N 3.24Å
460P47.6Very low49.5Very low135 Ų135114.4 Ų114.488%0.87769%0.691SS**  trans-72.3122.7-175.6-17.432.2000111.5L458L458-P460 WeakPolarHBondContact O-CD 3.49Å
461G41.6Very low49Very low63 Ų63113.2 Ų113.265%0.64969%0.692SS**  trans-173.595.4177.400000111.9A459A459-G461 PolarHBondContact O-N 3.24Å
462F31.7Very low49.5Very low223 Ų223112 Ų11298%0.97869%0.685SS**  trans61.6139.8-172.7-79.2-104.5000115.3
463G39.9Very low50.7Low75 Ų75110.9 Ų110.977%0.77368%0.677SS**  trans-136152.3174.300000110.9
464S39.4Very low52Low106 Ų106108.8 Ų108.874%0.74166%0.655SS**  trans-168122.8161-166.90000111.3R466S464-R466 PolarHBondContact O-N 3.37Å
465E47.6Very low53.2Low152 Ų152111 Ų11171%0.7167%0.668SS**  trans36.480134.1-50.9-46100.600119.9
466R47.6Very low54.5Low240 Ų240110.8 Ų110.891%0.90666%0.662SS**  179.3148.7113-100.2158.6-75-161.5-5114S464S464-R466 PolarHBondContact O-N 3.37Å
467G51.3Low56Low86 Ų86103 Ų10389%0.88764%0.642SS**  trans-78.9120.1175.100000112.9
468A52.2Low57.2Low76 Ų76101.4 Ų101.463%0.62863%0.633SS**  trans-140.9146.5161.400000108.5L470A468-L470 PolarHBondContact O-N 2.86Å; A468-L470 VanDerWaalsContact O-N 3.17Å
469P54.6Low58.9Low114 Ų11496.9 Ų96.974%0.7462%0.615SS**  trans-66.7118-179.626.8-33.3000110.3A471P469-A471 PolarHBondContact O-N 3.26Å
470L58.4Low60.9Low155 Ų15598.9 Ų98.981%0.81261%0.609SS**  trans-73.850.7175.5-63176000111.8A468A468-L470 PolarHBondContact O-N 2.86Å; A468-L470 VanDerWaalsContact O-N 3.17Å
471A70Confident62.3Low38 Ų3894.3 Ų94.331%0.31458%0.575SS.*  trans-131.999.2-173.500000108.8P469 A473 H480 F481P469-A471 PolarHBondContact O-N 3.26Å; A471-A473 PolarHBondContact O-N 3.46Å; A471-H480 HydrophobicContact CB-CB 4.28Å; A471-F481 CarbonylContact C-O 3.56Å; A471-F481 WeakPolarHBondContact CA-O 3.46Å
472F77.3Confident64Low82 Ų8295.7 Ų95.736%0.3657%0.573SS.*EExtended strand (participates in β ladder)trans-68.990.5-178.5-62.7-92.2000110F481 T483 A484 R487F472-F481 PolarHBondContact N-O 2.84Å; F472-F481 PolarHBondContact O-N 3.43Å; F472-F481 VanDerWaalsContact O-N 3.08Å; F472-T483 VanDerWaalsContact CD2-CA 3.47Å; F472-A484 HydrophobicContact CD1-CB 3.85Å; F472-A484 HydrophobicContact CE1-CB 3.87Å; F472-A484 HydrophobicContact CG-CB 4.32Å; F472-A484 HydrophobicContact CZ-CB 4.35Å; F472-R487 HydrophobicContact CB-CB 4.09Å
473A83.4Confident66.1Low43 Ų4387.7 Ų87.736%0.35554%0.542SS..EExtended strand (participates in β ladder)trans-64.3140.1174.700000111.3A471 A479 R487A471-A473 PolarHBondContact O-N 3.46Å; A473-A479 CarbonylContact C-O 3.5Å; A473-A479 WeakPolarHBondContact CA-O 3.42Å; A473-R487 WeakPolarHBondContact O-CD 3.47Å
474C83.4Confident68.1Low1 Ų185.7 Ų85.71%0.00752%0.518CS..  trans-84123.9170.9-1790000110.1L476 C477 G478 A479 F481 R487C474-L476 PolarHBondContact O-N 2.79Å; C474-L476 VanDerWaalsContact O-N 3.12Å; C474-C477 PolarHBondContact O-N 3.38Å; C474-G478 PolarHBondContact O-N 3.38Å; C474-A479 PolarHBondContact N-O 2.9Å; C474-F481 HydrophobicContact CB-CD2 4.5Å; C474-F481 HydrophobicContact CB-CE2 3.99Å; C474-R487 HydrophobicContact CB-CG 4.12Å
475P75.3Confident69.8Low111 Ų11185.7 Ų85.772%0.72151%0.51SS*.THydrogen-bonded Turntrans-66.5-15.8-175.626.7-35.1000113.9
476L74.8Confident71.2Confident103 Ų10382.2 Ų82.254%0.53950%0.496SS..THydrogen-bonded Turntrans-92.8-6.2-177-57.6175.4000113.8C474 R491 H494C474-L476 PolarHBondContact O-N 2.79Å; C474-L476 VanDerWaalsContact O-N 3.12Å; L476-R491 HydrophobicContact CD1-CG 4.39Å; L476-H494 HydrophobicContact CD1-CB 3.48Å; L476-H494 VanDerWaalsContact CD1-CB 3.48Å
477C77.6Confident73Confident65 Ų6574.1 Ų74.144%0.43947%0.465SS..THydrogen-bonded Turntrans-158.3-2.4-176.365.60000116.2C474 A479 H490C474-C477 PolarHBondContact O-N 3.38Å; C477-A479 PolarHBondContact O-N 3.16Å; C477-A479 VanDerWaalsContact O-N 3.13Å; C477-A479 WeakPolarHBondContact SG-CB 3.41Å; C477-A479 PolarHBondContact SG-N 3.06Å; C477-H490 PolarHBondContact SG-NE2 3.42Å
478G73.6Confident74.4Confident45 Ų4572.9 Ų72.946%0.46444%0.436SS..  trans67.46.7-176.500000115.2C474 H480C474-G478 PolarHBondContact O-N 3.38Å; G478-H480 PolarHBondContact O-CE1 2.88Å; G478-H480 VanDerWaalsContact O-CE1 3.31Å; G478-H480 PolarHBondContact O-N 3.13Å; G478-H480 PolarHBondContact O-ND1 3.19Å
479A76.1Confident75.5Confident35 Ų3576 Ų7629%0.28944%0.436SS..  trans-69.9128.3177.100000110.6A473 C474 C477 F481A473-A479 CarbonylContact C-O 3.5Å; A473-A479 WeakPolarHBondContact CA-O 3.42Å; C474-A479 PolarHBondContact N-O 2.9Å; C477-A479 PolarHBondContact O-N 3.16Å; C477-A479 VanDerWaalsContact O-N 3.13Å; C477-A479 WeakPolarHBondContact SG-CB 3.41Å; C477-A479 PolarHBondContact SG-N 3.06Å; A479-F481 HydrophobicContact CB-CE2 3.64Å; A479-F481 HydrophobicContact CB-CZ 3.75Å; A479-F481 VanDerWaalsContact O-CD2 3.27Å; A479-F481 WeakPolarHBondContact O-CD2 3.21Å; A479-F481 WeakPolarHBondContact O-CE2 3.48Å
480H75.9Confident76.7Confident129 Ų12973 Ų7360%0.59741%0.412SS*.EExtended strand (participates in β ladder)trans-94.4131.1-175-71.167.4000111.5A471 G478A471-H480 HydrophobicContact CB-CB 4.28Å; G478-H480 PolarHBondContact O-CE1 2.88Å; G478-H480 VanDerWaalsContact O-CE1 3.31Å; G478-H480 PolarHBondContact O-N 3.13Å; G478-H480 PolarHBondContact O-ND1 3.19Å
481F77.1Confident77.8Confident38 Ų3872 Ų7217%0.16740%0.397CS..EExtended strand (participates in β ladder)trans-125146.6-177.3-61.4-78.9000112.5A471 F472 C474 A479 T483 I486 R487 H490A471-F481 CarbonylContact C-O 3.56Å; A471-F481 WeakPolarHBondContact CA-O 3.46Å; F472-F481 PolarHBondContact N-O 2.84Å; F472-F481 PolarHBondContact O-N 3.43Å; F472-F481 VanDerWaalsContact O-N 3.08Å; C474-F481 HydrophobicContact CB-CD2 4.5Å; C474-F481 HydrophobicContact CB-CE2 3.99Å; A479-F481 HydrophobicContact CB-CE2 3.64Å; A479-F481 HydrophobicContact CB-CZ 3.75Å; A479-F481 VanDerWaalsContact O-CD2 3.27Å; A479-F481 WeakPolarHBondContact O-CD2 3.21Å; A479-F481 WeakPolarHBondContact O-CE2 3.48Å; F481-T483 VanDerWaalsContact C-N 3.3Å; F481-T483 PolarHBondContact O-N 3.31Å; F481-I486 HydrophobicContact CB-CB 4.34Å; F481-I486 HydrophobicContact CB-CG2 4.3Å; F481-I486 HydrophobicContact CD1-CB 4.43Å; F481-I486 HydrophobicContact CD1-CG2 3.53Å; F481-I486 HydrophobicContact CE1-CG2 4.22Å; F481-I486 HydrophobicContact CG-CG2 4.17Å; F481-R487 HydrophobicContact CB-CB 4.2Å; F481-R487 HydrophobicContact CD2-CB 3.9Å; F481-R487 HydrophobicContact CD2-CG 4.23Å; F481-R487 HydrophobicContact CG-CB 4.32Å; F481-H490 HydrophobicContact CE1-CB 4.25Å; F481-H490 HydrophobicContact CE2-CB 3.89Å; F481-H490 AromaticContact CE2-CD2 3.42Å; F481-H490 VanDerWaalsContact CE2-CD2 3.42Å; F481-H490 WeakPolarHBondContact CE2-CD2 3.47Å; F481-H490 AromaticContact CE2-CG 3.75Å; F481-H490 HydrophobicContact CZ-CB 3.65Å; F481-H490 AromaticContact CZ-CD2 3.41Å; F481-H490 VanDerWaalsContact CZ-CD2 3.41Å; F481-H490 WeakPolarHBondContact CZ-CD2 3.16Å; F481-H490 AromaticContact CZ-CG 3.39Å
482P76.1Confident78.4Confident93 Ų9375.4 Ų75.460%0.60441%0.41SS*.SBendtrans-75.7-14.2-176.230.9-35.9000114.1I486P482-I486 HydrophobicContact CG-CD1 4.13Å
483T76.6Confident78.3Confident54 Ų5480.6 Ų80.633%0.33143%0.427SS..SBendtrans-141.2155172.571.80000111.6F472 F481 D485 I486 R487F472-T483 VanDerWaalsContact CD2-CA 3.47Å; F481-T483 VanDerWaalsContact C-N 3.3Å; F481-T483 PolarHBondContact O-N 3.31Å; T483-D485 VanDerWaalsContact C-N 3.3Å; T483-D485 PolarHBondContact O-N 3.38Å; T483-I486 PolarHBondContact O-N 2.79Å; T483-I486 WeakPolarHBondContact OG1-CG1 3.44Å; T483-R487 PolarHBondContact O-N 3.08Å
484A81.3Confident77.9Confident33 Ų3379.2 Ų79.227%0.27341%0.413SS..Hα-helixtrans-56.5-41.5174.300000112.1F472 I486 R487 E488F472-A484 HydrophobicContact CD1-CB 3.85Å; F472-A484 HydrophobicContact CE1-CB 3.87Å; F472-A484 HydrophobicContact CG-CB 4.32Å; F472-A484 HydrophobicContact CZ-CB 4.35Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 2.76Å; A484-R487 CarbonylContact O-C 3.54Å; A484-R487 WeakPolarHBondContact O-CB 3.33Å; A484-R487 PolarHBondContact O-N 3.46Å; A484-R487 VanDerWaalsContact O-N 3.15Å; A484-E488 WeakPolarHBondContact O-CB 3.42Å; A484-E488 PolarHBondContact O-N 2.87Å
485D76.5Confident77.2Confident106 Ų10681.3 Ų81.357%0.56743%0.43SS*.Hα-helixtrans-58.7-36.4-179.8-51.5-90.6000113.7T483 E488 K489T483-D485 VanDerWaalsContact C-N 3.3Å; T483-D485 PolarHBondContact O-N 3.38Å; D485-E488 PolarHBondContact O-N 3.15Å; D485-K489 WeakPolarHBondContact O-CB 3.39Å; D485-K489 VanDerWaalsContact O-CG 3.28Å; D485-K489 WeakPolarHBondContact O-CG 3.37Å; D485-K489 PolarHBondContact O-N 3.26Å
486I76.4Confident76.5Confident80 Ų8080.3 Ų80.341%0.4142%0.422SS..Hα-helixtrans-77.5-37.5-178.7-60.4169.8000109.3F481 P482 T483 A484 H490F481-I486 HydrophobicContact CB-CB 4.34Å; F481-I486 HydrophobicContact CB-CG2 4.3Å; F481-I486 HydrophobicContact CD1-CB 4.43Å; F481-I486 HydrophobicContact CD1-CG2 3.53Å; F481-I486 HydrophobicContact CE1-CG2 4.22Å; F481-I486 HydrophobicContact CG-CG2 4.17Å; P482-I486 HydrophobicContact CG-CD1 4.13Å; T483-I486 PolarHBondContact O-N 2.79Å; T483-I486 WeakPolarHBondContact OG1-CG1 3.44Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 2.76Å; I486-H490 WeakPolarHBondContact O-CB 3.45Å; I486-H490 PolarHBondContact O-N 3.21Å
487R85.8Confident75.5Confident70 Ų7080.6 Ų80.626%0.26442%0.416SS..Hα-helixtrans-60.2-44.2167.9-178.2-154.862.8-161-2.1111.2F472 A473 C474 F481 T483 A484 H490 R491F472-R487 HydrophobicContact CB-CB 4.09Å; A473-R487 WeakPolarHBondContact O-CD 3.47Å; C474-R487 HydrophobicContact CB-CG 4.12Å; F481-R487 HydrophobicContact CB-CB 4.2Å; F481-R487 HydrophobicContact CD2-CB 3.9Å; F481-R487 HydrophobicContact CD2-CG 4.23Å; F481-R487 HydrophobicContact CG-CB 4.32Å; T483-R487 PolarHBondContact O-N 3.08Å; A484-R487 CarbonylContact O-C 3.54Å; A484-R487 WeakPolarHBondContact O-CB 3.33Å; A484-R487 PolarHBondContact O-N 3.46Å; A484-R487 VanDerWaalsContact O-N 3.15Å; R487-H490 CarbonylContact O-C 3.56Å; R487-H490 WeakPolarHBondContact O-CA 3.41Å; R487-H490 WeakPolarHBondContact O-CB 3.48Å; R487-H490 PolarHBondContact O-N 3.22Å; R487-H490 VanDerWaalsContact O-N 3.16Å; R487-R491 PolarHBondContact O-N 3.08Å
488E79.9Confident74.3Confident60 Ų6081.5 Ų81.528%0.2841%0.413SS..Hα-helixtrans-67.8-42.8-177.8-134.758.5-140.400111.3A484 D485 H490 R491 L492A484-E488 WeakPolarHBondContact O-CB 3.42Å; A484-E488 PolarHBondContact O-N 2.87Å; D485-E488 PolarHBondContact O-N 3.15Å; E488-H490 VanDerWaalsContact C-N 3.27Å; E488-H490 PolarHBondContact O-N 3.33Å; E488-R491 WeakPolarHBondContact O-CB 3.39Å; E488-R491 PolarHBondContact O-N 3.45Å; E488-R491 VanDerWaalsContact O-N 3.08Å; E488-R491 WeakPolarHBondContact OE1-CD 3.27Å; E488-R491 IonicContact OE1-CZ 2.93Å; E488-R491 IonicContact OE1-NE 3.7Å; E488-R491 IonicContact OE1-NH1 3.08Å; E488-R491 PolarHBondContact OE1-NH1 3.02Å; E488-L492 WeakPolarHBondContact O-CG 3.48Å; E488-L492 PolarHBondContact O-N 2.45Å
489K74.6Confident73.4Confident141 Ų14185.9 Ų85.961%0.61342%0.422SS*.Hα-helixtrans-61.5-35.7170.8-72.4169.8-1741770111.8D485 L492 W493D485-K489 WeakPolarHBondContact O-CB 3.39Å; D485-K489 VanDerWaalsContact O-CG 3.28Å; D485-K489 WeakPolarHBondContact O-CG 3.37Å; D485-K489 PolarHBondContact O-N 3.26Å; K489-L492 PolarHBondContact O-N 3.48Å; K489-W493 VanDerWaalsContact O-CD1 3.29Å; K489-W493 PolarHBondContact O-N 2.84Å
490H81Confident72.3Confident51 Ų5188.5 Ų88.524%0.23643%0.43CS..Hα-helixtrans-71.3-32.1172.1-176.662.3000113.3C477 F481 I486 R487 E488 L492 W493 H494C477-H490 PolarHBondContact SG-NE2 3.42Å; F481-H490 HydrophobicContact CE1-CB 4.25Å; F481-H490 HydrophobicContact CE2-CB 3.89Å; F481-H490 AromaticContact CE2-CD2 3.42Å; F481-H490 VanDerWaalsContact CE2-CD2 3.42Å; F481-H490 WeakPolarHBondContact CE2-CD2 3.47Å; F481-H490 AromaticContact CE2-CG 3.75Å; F481-H490 HydrophobicContact CZ-CB 3.65Å; F481-H490 AromaticContact CZ-CD2 3.41Å; F481-H490 VanDerWaalsContact CZ-CD2 3.41Å; F481-H490 WeakPolarHBondContact CZ-CD2 3.16Å; F481-H490 AromaticContact CZ-CG 3.39Å; I486-H490 WeakPolarHBondContact O-CB 3.45Å; I486-H490 PolarHBondContact O-N 3.21Å; R487-H490 CarbonylContact O-C 3.56Å; R487-H490 WeakPolarHBondContact O-CA 3.41Å; R487-H490 WeakPolarHBondContact O-CB 3.48Å; R487-H490 PolarHBondContact O-N 3.22Å; R487-H490 VanDerWaalsContact O-N 3.16Å; E488-H490 VanDerWaalsContact C-N 3.27Å; E488-H490 PolarHBondContact O-N 3.33Å; H490-L492 VanDerWaalsContact C-N 3.33Å; H490-W493 WeakPolarHBondContact O-CB 3.48Å; H490-W493 PolarHBondContact O-N 2.82Å; H490-W493 VanDerWaalsContact O-N 3.16Å; H490-H494 AromaticContact CD2-NE2 3.69Å; H490-H494 AromaticContact CE1-NE2 3.65Å; H490-H494 AromaticContact NE2-CD2 3.89Å; H490-H494 AromaticContact NE2-NE2 3.09Å; H490-H494 PolarHBondContact NE2-NE2 3.08Å; H490-H494 PolarHBondContact O-CD2 3.15Å; H490-H494 VanDerWaalsContact O-CD2 3.25Å; H490-H494 PolarHBondContact O-N 3.38Å
491R80.6Confident71Confident133 Ų13386.7 Ų86.750%0.50243%0.425SS..Hα-helixtrans-63.7-38.7171.7-174.3-171176.4-168.5-2.5111.1L476 R487 E488 W493 H494 A495L476-R491 HydrophobicContact CD1-CG 4.39Å; R487-R491 PolarHBondContact O-N 3.08Å; E488-R491 WeakPolarHBondContact O-CB 3.39Å; E488-R491 PolarHBondContact O-N 3.45Å; E488-R491 VanDerWaalsContact O-N 3.08Å; E488-R491 WeakPolarHBondContact OE1-CD 3.27Å; E488-R491 IonicContact OE1-CZ 2.93Å; E488-R491 IonicContact OE1-NE 3.7Å; E488-R491 IonicContact OE1-NH1 3.08Å; E488-R491 PolarHBondContact OE1-NH1 3.02Å; R491-W493 VanDerWaalsContact C-N 3.28Å; R491-W493 PolarHBondContact O-N 3Å; R491-H494 WeakPolarHBondContact O-CA 3.4Å; R491-H494 WeakPolarHBondContact O-CB 3.38Å; R491-H494 PolarHBondContact O-N 2.6Å; R491-A495 PolarHBondContact O-N 2.91Å
492L83.1Confident69.5Low111 Ų11190 Ų9058%0.58144%0.443SS*.Hα-helixtrans-63.2-30.4172.5-65.5173.5000112.8E488 K489 H490 H494 A495 V496E488-L492 WeakPolarHBondContact O-CG 3.48Å; E488-L492 PolarHBondContact O-N 2.45Å; K489-L492 PolarHBondContact O-N 3.48Å; H490-L492 VanDerWaalsContact C-N 3.33Å; L492-H494 VanDerWaalsContact C-N 3.27Å; L492-H494 PolarHBondContact O-N 3.22Å; L492-A495 PolarHBondContact O-N 3.1Å; L492-V496 WeakPolarHBondContact O-CG2 3.43Å; L492-V496 PolarHBondContact O-N 3.31Å
493W74.6Confident68.1Low190 Ų19090.9 Ų90.972%0.7245%0.449SS*.Hα-helixtrans-66.4-26170.3-8392.7000113.5K489 H490 R491K489-W493 VanDerWaalsContact O-CD1 3.29Å; K489-W493 PolarHBondContact O-N 2.84Å; H490-W493 WeakPolarHBondContact O-CB 3.48Å; H490-W493 PolarHBondContact O-N 2.82Å; H490-W493 VanDerWaalsContact O-N 3.16Å; R491-W493 VanDerWaalsContact C-N 3.28Å; R491-W493 PolarHBondContact O-N 3Å
494H76Confident66.8Low15 Ų1592.2 Ų92.27%0.06947%0.466CS..Hα-helixtrans-79.5-42.1169-64.6-82.1000111.1L476 H490 R491 L492 V496 R497 E498L476-H494 HydrophobicContact CD1-CB 3.48Å; L476-H494 VanDerWaalsContact CD1-CB 3.48Å; H490-H494 AromaticContact CD2-NE2 3.69Å; H490-H494 AromaticContact CE1-NE2 3.65Å; H490-H494 AromaticContact NE2-CD2 3.89Å; H490-H494 AromaticContact NE2-NE2 3.09Å; H490-H494 PolarHBondContact NE2-NE2 3.08Å; H490-H494 PolarHBondContact O-CD2 3.15Å; H490-H494 VanDerWaalsContact O-CD2 3.25Å; H490-H494 PolarHBondContact O-N 3.38Å; R491-H494 WeakPolarHBondContact O-CA 3.4Å; R491-H494 WeakPolarHBondContact O-CB 3.38Å; R491-H494 PolarHBondContact O-N 2.6Å; L492-H494 VanDerWaalsContact C-N 3.27Å; L492-H494 PolarHBondContact O-N 3.22Å; H494-V496 PolarHBondContact O-N 2.78Å; H494-R497 CarbonylContact O-C 3.57Å; H494-R497 WeakPolarHBondContact O-CA 3.5Å; H494-R497 VanDerWaalsContact O-CB 3.25Å; H494-R497 WeakPolarHBondContact O-CB 3.48Å; H494-R497 PolarHBondContact O-N 3.36Å; H494-E498 WeakPolarHBondContact O-CG 3.45Å; H494-E498 PolarHBondContact O-N 3.43Å
495A68.4Low64.9Low44 Ų4498.5 Ų98.536%0.36449%0.494SS..Hα-helixtrans-56-48.2176.300000112R491 L492 R497 E498 E499R491-A495 PolarHBondContact O-N 2.91Å; L492-A495 PolarHBondContact O-N 3.1Å; A495-R497 PolarHBondContact O-N 3.36Å; A495-R497 VanDerWaalsContact O-N 3.12Å; A495-E498 PolarHBondContact O-N 3.36Å; A495-E498 VanDerWaalsContact O-N 3.12Å; A495-E499 WeakPolarHBondContact O-CG 3.43Å; A495-E499 PolarHBondContact O-N 3.2Å
496V60.2Low63Low90 Ų9097.7 Ų97.755%0.54550%0.502SS..Hα-helixtrans-63.5-16.8174.31740000112.9L492 H494 L500L492-V496 WeakPolarHBondContact O-CG2 3.43Å; L492-V496 PolarHBondContact O-N 3.31Å; H494-V496 PolarHBondContact O-N 2.78Å; V496-L500 WeakPolarHBondContact O-CD1 3.44Å; V496-L500 WeakPolarHBondContact O-CG 3.29Å
497R53.2Low61.3Low110 Ų11097.8 Ų97.842%0.41552%0.523SS..Hα-helixtrans-86.8-39.7172.3-165.8-168.969.5-176.4-0.5112H494 A495 L500 L501H494-R497 CarbonylContact O-C 3.57Å; H494-R497 WeakPolarHBondContact O-CA 3.5Å; H494-R497 VanDerWaalsContact O-CB 3.25Å; H494-R497 WeakPolarHBondContact O-CB 3.48Å; H494-R497 PolarHBondContact O-N 3.36Å; A495-R497 PolarHBondContact O-N 3.36Å; A495-R497 VanDerWaalsContact O-N 3.12Å; R497-L500 PolarHBondContact O-N 2.84Å; R497-L501 HydrophobicContact CG-CD1 4.31Å; R497-L501 WeakPolarHBondContact O-CG 3.47Å; R497-L501 PolarHBondContact O-N 3.05Å
498E53.3Low58.7Low83 Ų8398.7 Ų98.739%0.38855%0.545SS..Hα-helixtrans-69.4-39.9177.3-57.1-52.8122.600111.5H494 A495 L500 L501 L502H494-E498 WeakPolarHBondContact O-CG 3.45Å; H494-E498 PolarHBondContact O-N 3.43Å; A495-E498 PolarHBondContact O-N 3.36Å; A495-E498 VanDerWaalsContact O-N 3.12Å; E498-L500 PolarHBondContact O-N 2.87Å; E498-L500 VanDerWaalsContact O-N 3.16Å; E498-L501 CarbonylContact O-C 3.47Å; E498-L501 WeakPolarHBondContact O-CA 3.19Å; E498-L501 PolarHBondContact O-N 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.48Å; E498-L502 PolarHBondContact O-N 2.95Å
499E54.3Low56.7Low138 Ų138101.8 Ų101.865%0.64557%0.571SS**THydrogen-bonded Turntrans-58.1-27.8172.6-68.6-68.1124.400112.8A495A495-E499 WeakPolarHBondContact O-CG 3.43Å; A495-E499 PolarHBondContact O-N 3.2Å
500L52.7Low55.2Low89 Ų89100 Ų10047%0.46658%0.576SS.*THydrogen-bonded Turntrans-90.82.8175.4-65.5176.8000113.7V496 R497 E498 F537V496-L500 WeakPolarHBondContact O-CD1 3.44Å; V496-L500 WeakPolarHBondContact O-CG 3.29Å; R497-L500 PolarHBondContact O-N 2.84Å; E498-L500 PolarHBondContact O-N 2.87Å; E498-L500 VanDerWaalsContact O-N 3.16Å; L500-F537 HydrophobicContact CD1-CE1 3.81Å; L500-F537 HydrophobicContact CD1-CZ 4Å
501L48.9Very low52.9Low91 Ų91105.9 Ų105.948%0.47660%0.603SS.*THydrogen-bonded Turntrans-118.2-23.1176.1-68.7170.9000112.7R497 E498 P503 A504R497-L501 HydrophobicContact CG-CD1 4.31Å; R497-L501 WeakPolarHBondContact O-CG 3.47Å; R497-L501 PolarHBondContact O-N 3.05Å; E498-L501 CarbonylContact O-C 3.47Å; E498-L501 WeakPolarHBondContact O-CA 3.19Å; E498-L501 PolarHBondContact O-N 3.29Å; L501-P503 VanDerWaalsContact C-N 3.31Å; L501-A504 VanDerWaalsContact O-CB 3.31Å; L501-A504 WeakPolarHBondContact O-CB 3.41Å; L501-A504 PolarHBondContact O-N 2.87Å
502L46.2Very low50.9Low107 Ų107105.5 Ų105.556%0.5662%0.616SS**G310 helixtrans-60.2-19.9178.7-81.7167.1000116.8E498 A504E498-L502 WeakPolarHBondContact O-CG 3.48Å; E498-L502 PolarHBondContact O-N 2.95Å; L502-A504 PolarHBondContact O-N 3.03Å; L502-A504 VanDerWaalsContact O-N 3.16Å
503P47.6Very low49.7Very low112 Ų112106.6 Ų106.673%0.72763%0.63SS**G310 helixtrans-63.3-12.9167.8-25.336.1000115L501L501-P503 VanDerWaalsContact C-N 3.31Å
504A47.3Very low47.6Very low82 Ų82101.1 Ų101.168%0.67863%0.632SS**G310 helixtrans-92.2-9.4-169.900000115.9L501 L502L501-A504 VanDerWaalsContact O-CB 3.31Å; L501-A504 WeakPolarHBondContact O-CB 3.41Å; L501-A504 PolarHBondContact O-N 2.87Å; L502-A504 PolarHBondContact O-N 3.03Å; L502-A504 VanDerWaalsContact O-N 3.16Å
505L41.5Very low46.7Very low166 Ų166106.5 Ų106.587%0.86967%0.669SS**THydrogen-bonded Turntrans-131.22.3-175-69.8175.9000115G507L505-G507 VanDerWaalsContact C-N 3.29Å; L505-G507 PolarHBondContact O-N 3.43Å
506A37.4Very low45.2Very low88 Ų88110.8 Ų110.873%0.72770%0.696SS**  trans-80.375.4169.500000110.4A508A506-A508 PolarHBondContact O-N 3.4Å
507G40Very low43.8Very low83 Ų83109.5 Ų109.586%0.85670%0.701SS**  trans-68115.1-178.700000113.1L505L505-G507 VanDerWaalsContact C-N 3.29Å; L505-G507 PolarHBondContact O-N 3.43Å
508A31.6Very low43.6Very low88 Ų88110.6 Ų110.673%0.72772%0.722SS**  trans-126.6150.516500000108.8A506A506-A508 PolarHBondContact O-N 3.4Å
509P37.5Very low42.7Very low126 Ų126112.2 Ų112.282%0.81874%0.743SS**  trans-76.1164-159.829.5-36.1000114.8
510S43.1Very low42.2Very low104 Ų104113.6 Ų113.673%0.72776%0.755SS**  trans-61.1141.1171.452.20000112.9
511E34.5Very low41.7Very low173 Ų173112 Ų11281%0.80876%0.76SS**  trans-142.3170.4143.5-92.9-53.1103.200109.6
512T37.5Very low41.6Very low125 Ų125112.5 Ų112.577%0.76777%0.771SS**  trans-97.4165.4-157.241.40000115.2
513P58.4Low41.8Very low135 Ų135111.6 Ų111.688%0.87778%0.778SS**  trans-92.9152.1-152.235.3-36.4000116.2
514G30.2Very low42.5Very low74 Ų74112.8 Ų112.876%0.76377%0.774SS**  trans-147.6155.3166.500000112.2
515P57.6Low43.7Very low129 Ų129115.6 Ų115.684%0.83877%0.773SS**  trans-120118.1-158.435.7-20.4000115.6
516S35.6Very low45.5Very low133 Ų133111.4 Ų111.493%0.9375%0.751SS**  trans-179.4141.9144.150.80000111.6
517G32.5Very low47.5Very low64 Ų64110.3 Ų110.366%0.6673%0.73SS**  trans138.3116.1169.900000114.4S519G517-S519 PolarHBondContact O-N 3.42Å; G517-S519 VanDerWaalsContact O-N 3.16Å
518P47.2Very low49.5Very low133 Ų133110.1 Ų110.186%0.86472%0.716SS**  trans-78.696.6173.731.7-32000110.2D520P518-D520 PolarHBondContact O-N 3.33Å
519S35.2Very low51.9Low117 Ų117106.4 Ų106.482%0.81868%0.684SS**  trans-79.599.2173.6-171.60000110.3G517 G521G517-S519 PolarHBondContact O-N 3.42Å; G517-S519 VanDerWaalsContact O-N 3.16Å; S519-G521 PolarHBondContact O-N 3.29Å
520D43.6Very low53.8Low167 Ų167108.3 Ų108.389%0.89368%0.68SS**  trans-73.641.9172.6-116.5-38.6000112.3P518 S522P518-D520 PolarHBondContact O-N 3.33Å; D520-S522 PolarHBondContact O-N 3.13Å
521G41.9Very low55.4Low55 Ų55107.8 Ų107.857%0.56767%0.666SS**  trans-83.883.6173.600000110.5S519 A523S519-G521 PolarHBondContact O-N 3.29Å; G521-A523 VanDerWaalsContact C-N 3.29Å; G521-A523 PolarHBondContact O-N 3.12Å
522S46.4Very low57.4Low102 Ų102101.4 Ų101.471%0.71364%0.639SS**  trans-6684.5177.357.50000112.1D520 Q524D520-S522 PolarHBondContact O-N 3.13Å; S522-Q524 PolarHBondContact O-N 2.81Å
523A51.6Low59.2Low87 Ų87102 Ų10272%0.71965%0.646SS**  trans-55.3106.617700000110G521 Q525G521-A523 VanDerWaalsContact C-N 3.29Å; G521-A523 PolarHBondContact O-N 3.12Å; A523-Q525 PolarHBondContact O-N 3.16Å
524Q61.6Low60Low138 Ų13897.7 Ų97.765%0.64562%0.619SS**  trans-70.590.1-172.9-66.2-173.5400110.1S522 I526S522-Q524 PolarHBondContact O-N 2.81Å; Q524-I526 WeakPolarHBondContact O-CG1 3.39Å; Q524-I526 PolarHBondContact O-N 2.68Å
525Q72.8Confident62.5Low140 Ų14097.3 Ų97.365%0.65460%0.602SS**  trans-52.1114.6-176.1-68.3-176.3-11.100110.9A523 F527A523-Q525 PolarHBondContact O-N 3.16Å; Q525-F527 HydrophobicContact CB-CE2 3.78Å; Q525-F527 HydrophobicContact CB-CZ 3.87Å; Q525-F527 WeakPolarHBondContact O-CD2 3.35Å; Q525-F527 WeakPolarHBondContact O-CE2 3.41Å; Q525-F527 PolarHBondContact O-N 2.92Å
526I78.8Confident63.8Low79 Ų7993.5 Ų93.541%0.40557%0.572SS.*  trans-85.2104.1-177.1-55.3-175.8000108.6Q524 S528 T535 F537Q524-I526 WeakPolarHBondContact O-CG1 3.39Å; Q524-I526 PolarHBondContact O-N 2.68Å; I526-S528 PolarHBondContact O-N 3.45Å; I526-T535 HydrophobicContact CG2-CG2 3.89Å; I526-F537 HydrophobicContact CD1-CE1 4Å; I526-F537 HydrophobicContact CG1-CD1 4.13Å; I526-F537 HydrophobicContact CG1-CE1 3.99Å
527F79Confident66Low65 Ų6591.9 Ų91.929%0.28555%0.548SS..EExtended strand (participates in β ladder)trans-83101.5179.6-62.8-85.6000110.2Q525 F536 S539 L542Q525-F527 HydrophobicContact CB-CE2 3.78Å; Q525-F527 HydrophobicContact CB-CZ 3.87Å; Q525-F527 WeakPolarHBondContact O-CD2 3.35Å; Q525-F527 WeakPolarHBondContact O-CE2 3.41Å; Q525-F527 PolarHBondContact O-N 2.92Å; F527-F536 WeakPolarHBondContact CB-O 3.41Å; F527-F536 PolarHBondContact N-O 3.17Å; F527-F536 PolarHBondContact O-N 3.47Å; F527-S539 VanDerWaalsContact CD2-N 3.29Å; F527-L542 HydrophobicContact CB-CB 3.96Å; F527-L542 HydrophobicContact CB-CD2 3.76Å; F527-L542 HydrophobicContact CB-CG 4.46Å
528S82.1Confident68.2Low79 Ų7991.2 Ų91.255%0.55253%0.534SS*.EExtended strand (participates in β ladder)trans-78.1146.7176.358.10000112.6I526 L542I526-S528 PolarHBondContact O-N 3.45Å; S528-L542 WeakPolarHBondContact O-CD2 3.48Å
529C83.3Confident69.9Low10 Ų1087.4 Ų87.47%0.06851%0.51CS..  trans-84.1116.9175-171.70000111.4H531 C532 S534 F536 L542 H545C529-H531 PolarHBondContact O-N 2.78Å; C529-C532 WeakPolarHBondContact CB-O 3.33Å; C529-C532 PolarHBondContact O-N 2.92Å; C529-S534 WeakPolarHBondContact CB-O 3.26Å; C529-S534 PolarHBondContact N-O 3.35Å; C529-F536 HydrophobicContact CB-CE2 4.44Å; C529-L542 HydrophobicContact CB-CD1 3.61Å; C529-H545 VanDerWaalsContact SG-CD2 3.51Å; C529-H545 PolarHBondContact SG-NE2 3.34Å
530K77.6Confident72.2Confident166 Ų16685.3 Ų85.372%0.72249%0.494SS*.THydrogen-bonded Turntrans-67.913.3176.473.4175.9-170.9172.50115.9
531H76.6Confident74Confident93 Ų9378.3 Ų78.343%0.43146%0.461SS..THydrogen-bonded Turntrans-135.6-7.4-177.3-61.4-72.5000114.1C529 H550 R555C529-H531 PolarHBondContact O-N 2.78Å; H531-H550 HydrophobicContact CB-CB 4.41Å; H531-H550 VanDerWaalsContact CB-CE1 3.4Å; H531-H550 WeakPolarHBondContact CB-CE1 3.23Å; H531-H550 WeakPolarHBondContact CB-ND1 3.29Å; H531-H550 PolarHBondContact O-CE1 3.31Å; H531-H550 VanDerWaalsContact O-CE1 3.26Å; H531-R555 PolarHBondContact CD2-NH2 3.43Å; H531-R555 PolarHBondContact NE2-NE 3.29Å; H531-R555 PolarHBondContact NE2-NH2 2.96Å
532C75.1Confident76Confident38 Ų3876.7 Ų76.726%0.25744%0.44SS..SBendtrans-165.8161.417270.80000110C529 S534 H545 H550C529-C532 WeakPolarHBondContact CB-O 3.33Å; C529-C532 PolarHBondContact O-N 2.92Å; C532-S534 PolarHBondContact O-N 3.25Å; C532-S534 PolarHBondContact SG-OG 3.2Å; C532-S534 VanDerWaalsContact SG-OG 3.38Å; C532-H545 PolarHBondContact SG-CE1 3.14Å; C532-H545 PolarHBondContact SG-NE2 2.97Å; C532-H550 PolarHBondContact SG-NE2 3.29Å
533P75.5Confident77.7Confident139 Ų13974.9 Ų74.990%0.90342%0.424SS*.SBendtrans-74.234.1-173.831.8-37.8000115
534S75.1Confident79.2Confident44 Ų4479.3 Ų79.331%0.30842%0.422SS..  trans-92.6132.7176.6-59.30000111.6C529 C532C529-S534 WeakPolarHBondContact CB-O 3.26Å; C529-S534 PolarHBondContact N-O 3.35Å; C532-S534 PolarHBondContact O-N 3.25Å; C532-S534 PolarHBondContact SG-OG 3.2Å; C532-S534 VanDerWaalsContact SG-OG 3.38Å
535T83.8Confident80.3Confident66 Ų6673.9 Ų73.941%0.40540%0.397SS..EExtended strand (participates in β ladder)trans-112.5150.4175.250.30000111.8I526I526-T535 HydrophobicContact CG2-CG2 3.89Å
536F84.8Confident80.8Confident48 Ų4868.3 Ų68.321%0.21137%0.371CS..EExtended strand (participates in β ladder)trans-141.7128.5-176.4-58.4-86000111.7F527 C529 S538 L542 H545F527-F536 WeakPolarHBondContact CB-O 3.41Å; F527-F536 PolarHBondContact N-O 3.17Å; F527-F536 PolarHBondContact O-N 3.47Å; C529-F536 HydrophobicContact CB-CE2 4.44Å; F536-S538 PolarHBondContact O-N 3.15Å; F536-L542 HydrophobicContact CB-CB 4.1Å; F536-L542 HydrophobicContact CD2-CB 3.88Å; F536-L542 HydrophobicContact CD2-CD1 3.68Å; F536-L542 HydrophobicContact CD2-CG 4.39Å; F536-L542 HydrophobicContact CE2-CD1 3.96Å; F536-L542 HydrophobicContact CG-CB 4.18Å; F536-H545 HydrophobicContact CE1-CB 3.79Å; F536-H545 HydrophobicContact CE2-CB 3.74Å; F536-H545 AromaticContact CE2-CD2 3.47Å; F536-H545 VanDerWaalsContact CE2-CD2 3.47Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.47Å; F536-H545 AromaticContact CE2-CG 3.48Å; F536-H545 VanDerWaalsContact CE2-CG 3.48Å; F536-H545 HydrophobicContact CZ-CB 3.33Å; F536-H545 AromaticContact CZ-CD2 3.69Å; F536-H545 AromaticContact CZ-CG 3.19Å; F536-H545 AromaticContact CZ-ND1 3.51Å
537F82.1Confident80.8Confident99 Ų9970 Ų7043%0.43438%0.381SS..SBendtrans-74.625176.1-53.1-80.5000113.8L500 I526L500-F537 HydrophobicContact CD1-CE1 3.81Å; L500-F537 HydrophobicContact CD1-CZ 4Å; I526-F537 HydrophobicContact CD1-CE1 4Å; I526-F537 HydrophobicContact CG1-CD1 4.13Å; I526-F537 HydrophobicContact CG1-CE1 3.99Å
538S78.9Confident80.8Confident51 Ų5175.5 Ų75.536%0.35741%0.405SS..SBendtrans-166.3125.7-176.4-1750000110.9F536 P540 G541 L542F536-S538 PolarHBondContact O-N 3.15Å; S538-P540 WeakPolarHBondContact OG-CD 3.24Å; S538-G541 CarbonylContact O-C 3.34Å; S538-G541 VanDerWaalsContact O-CA 3.24Å; S538-G541 WeakPolarHBondContact O-CA 3.38Å; S538-G541 PolarHBondContact O-N 3.45Å; S538-L542 PolarHBondContact O-N 3.29Å
539S81.2Confident80.5Confident52 Ų5275.2 Ų75.236%0.36440%0.402SS..Hα-helixtrans-58.2-42.9174.1165.30000113.1F527 G541 L542 T543F527-S539 VanDerWaalsContact CD2-N 3.29Å; S539-G541 PolarHBondContact O-N 2.99Å; S539-L542 PolarHBondContact O-N 2.84Å; S539-T543 VanDerWaalsContact O-CB 3.31Å; S539-T543 WeakPolarHBondContact O-CB 3.41Å; S539-T543 PolarHBondContact O-N 3.17Å; S539-T543 PolarHBondContact O-OG1 2.94Å
540P85.3Confident80.1Confident73 Ų7376.6 Ų76.647%0.47441%0.407SS..Hα-helixtrans-60.2-20.6166.3-29.135.6000115.9S538 R544S538-P540 WeakPolarHBondContact OG-CD 3.24Å; P540-R544 PolarHBondContact O-N 2.89Å; P540-R544 PolarHBondContact O-NE 3.38Å
541G80.8Confident79.6Confident21 Ų2172.5 Ų72.522%0.21640%0.398CS..Hα-helixtrans-75.8-56.3170.800000111.2S538 S539 T543 R544 H545S538-G541 CarbonylContact O-C 3.34Å; S538-G541 VanDerWaalsContact O-CA 3.24Å; S538-G541 WeakPolarHBondContact O-CA 3.38Å; S538-G541 PolarHBondContact O-N 3.45Å; S539-G541 PolarHBondContact O-N 2.99Å; G541-T543 VanDerWaalsContact C-N 3.29Å; G541-T543 PolarHBondContact O-N 3.35Å; G541-R544 PolarHBondContact O-N 3.18Å; G541-R544 VanDerWaalsContact O-N 3.14Å; G541-H545 PolarHBondContact O-N 3.23Å
542L84.1Confident78.8Confident21 Ų2172.5 Ų72.511%0.1141%0.408CS..Hα-helixtrans-54.1-45.4175.1172.761.5000111.6F527 S528 C529 F536 S538 S539 R544 H545 I546F527-L542 HydrophobicContact CB-CB 3.96Å; F527-L542 HydrophobicContact CB-CD2 3.76Å; F527-L542 HydrophobicContact CB-CG 4.46Å; S528-L542 WeakPolarHBondContact O-CD2 3.48Å; C529-L542 HydrophobicContact CB-CD1 3.61Å; F536-L542 HydrophobicContact CB-CB 4.1Å; F536-L542 HydrophobicContact CD2-CB 3.88Å; F536-L542 HydrophobicContact CD2-CD1 3.68Å; F536-L542 HydrophobicContact CD2-CG 4.39Å; F536-L542 HydrophobicContact CE2-CD1 3.96Å; F536-L542 HydrophobicContact CG-CB 4.18Å; S538-L542 PolarHBondContact O-N 3.29Å; S539-L542 PolarHBondContact O-N 2.84Å; L542-R544 VanDerWaalsContact C-N 3.32Å; L542-R544 PolarHBondContact O-N 3.3Å; L542-H545 WeakPolarHBondContact O-CB 3.11Å; L542-H545 PolarHBondContact O-N 3.45Å; L542-H545 VanDerWaalsContact O-N 3.16Å; L542-I546 HydrophobicContact CD1-CD1 3.8Å; L542-I546 HydrophobicContact CD1-CG1 3.88Å; L542-I546 HydrophobicContact CD2-CD1 4.25Å; L542-I546 HydrophobicContact CG-CD1 3.77Å; L542-I546 HydrophobicContact CG-CG1 4.26Å; L542-I546 WeakPolarHBondContact O-CB 3.48Å; L542-I546 WeakPolarHBondContact O-CG1 3.3Å; L542-I546 PolarHBondContact O-N 2.99Å
543T82.4Confident77.8Confident63 Ų6378.9 Ų78.939%0.38743%0.434SS..Hα-helixtrans-61.6-39.5-179.5-600000111.9S539 G541 N547S539-T543 VanDerWaalsContact O-CB 3.31Å; S539-T543 WeakPolarHBondContact O-CB 3.41Å; S539-T543 PolarHBondContact O-N 3.17Å; S539-T543 PolarHBondContact O-OG1 2.94Å; G541-T543 VanDerWaalsContact C-N 3.29Å; G541-T543 PolarHBondContact O-N 3.35Å; T543-N547 WeakPolarHBondContact O-CB 3.41Å; T543-N547 PolarHBondContact O-N 2.84Å; T543-N547 PolarHBondContact O-ND2 3.38Å
544R82.8Confident76.4Confident181 Ų18175.8 Ų75.868%0.68342%0.416SS*.Hα-helixtrans-68.4-40173.9-88178.3-82.5-147.3-0.5112.3P540 G541 L542 K548P540-R544 PolarHBondContact O-N 2.89Å; P540-R544 PolarHBondContact O-NE 3.38Å; G541-R544 PolarHBondContact O-N 3.18Å; G541-R544 VanDerWaalsContact O-N 3.14Å; L542-R544 VanDerWaalsContact C-N 3.32Å; L542-R544 PolarHBondContact O-N 3.3Å; R544-K548 WeakPolarHBondContact O-CB 3.15Å; R544-K548 PolarHBondContact O-N 2.89Å
545H84.7Confident75.4Confident24 Ų2477.9 Ų77.911%0.11142%0.417CS..Hα-helixtrans-62-49.5173.2161.482.2000111.8C529 C532 F536 G541 L542 N547 K548 C549 H550C529-H545 VanDerWaalsContact SG-CD2 3.51Å; C529-H545 PolarHBondContact SG-NE2 3.34Å; C532-H545 PolarHBondContact SG-CE1 3.14Å; C532-H545 PolarHBondContact SG-NE2 2.97Å; F536-H545 HydrophobicContact CE1-CB 3.79Å; F536-H545 HydrophobicContact CE2-CB 3.74Å; F536-H545 AromaticContact CE2-CD2 3.47Å; F536-H545 VanDerWaalsContact CE2-CD2 3.47Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.47Å; F536-H545 AromaticContact CE2-CG 3.48Å; F536-H545 VanDerWaalsContact CE2-CG 3.48Å; F536-H545 HydrophobicContact CZ-CB 3.33Å; F536-H545 AromaticContact CZ-CD2 3.69Å; F536-H545 AromaticContact CZ-CG 3.19Å; F536-H545 AromaticContact CZ-ND1 3.51Å; G541-H545 PolarHBondContact O-N 3.23Å; L542-H545 WeakPolarHBondContact O-CB 3.11Å; L542-H545 PolarHBondContact O-N 3.45Å; L542-H545 VanDerWaalsContact O-N 3.16Å; H545-N547 PolarHBondContact O-N 3.43Å; H545-K548 PolarHBondContact O-N 3.45Å; H545-C549 WeakPolarHBondContact O-CB 3.49Å; H545-C549 PolarHBondContact O-N 3.32Å; H545-H550 AromaticContact NE2-CD2 3.75Å; H545-H550 AromaticContact NE2-NE2 3.58Å
546I82.9Confident73.8Confident23 Ų2382.4 Ų82.412%0.11843%0.434CS..Hα-helixtrans-52.3-53.5176.2-78.5174.5000110.5L542 K548 H550L542-I546 HydrophobicContact CD1-CD1 3.8Å; L542-I546 HydrophobicContact CD1-CG1 3.88Å; L542-I546 HydrophobicContact CD2-CD1 4.25Å; L542-I546 HydrophobicContact CG-CD1 3.77Å; L542-I546 HydrophobicContact CG-CG1 4.26Å; L542-I546 WeakPolarHBondContact O-CB 3.48Å; L542-I546 WeakPolarHBondContact O-CG1 3.3Å; L542-I546 PolarHBondContact O-N 2.99Å; I546-K548 PolarHBondContact O-N 3.08Å; I546-K548 VanDerWaalsContact O-N 3.1Å; I546-H550 CarbonylContact O-C 3.2Å; I546-H550 VanDerWaalsContact O-CA 3.29Å; I546-H550 WeakPolarHBondContact O-CA 3.47Å; I546-H550 WeakPolarHBondContact O-CB 3.3Å; I546-H550 PolarHBondContact O-N 2.87Å
547N79.3Confident72.2Confident115 Ų11585 Ų8562%0.61545%0.454SS*.Hα-helixtrans-70.7-7.6-177.6-66.3-16.8000113.7T543 H545T543-N547 WeakPolarHBondContact O-CB 3.41Å; T543-N547 PolarHBondContact O-N 2.84Å; T543-N547 PolarHBondContact O-ND2 3.38Å; H545-N547 PolarHBondContact O-N 3.43Å
548K79.3Confident70.6Confident179 Ų17987.5 Ų87.578%0.77847%0.471SS*.Hα-helixtrans-105.3-37.1-179.2-168.169.4168.6-169.10113.4R544 H545 I546R544-K548 WeakPolarHBondContact O-CB 3.15Å; R544-K548 PolarHBondContact O-N 2.89Å; H545-K548 PolarHBondContact O-N 3.45Å; I546-K548 PolarHBondContact O-N 3.08Å; I546-K548 VanDerWaalsContact O-N 3.1Å
549C75.2Confident69.1Low73 Ų7391.8 Ų91.849%0.49349%0.489SS..Hα-helixtrans-105.5-25.4-175-65.20000112.8H545 P551H545-C549 WeakPolarHBondContact O-CB 3.49Å; H545-C549 PolarHBondContact O-N 3.32Å; C549-P551 VanDerWaalsContact C-CD 3.44Å; C549-P551 WeakPolarHBondContact O-CD 3.3Å
550H75.7Confident67.6Low39 Ų3996.9 Ų96.918%0.18151%0.511CS..SBendtrans-128.262.5-178.1-53.6-73.9000110.5H531 C532 H545 I546H531-H550 HydrophobicContact CB-CB 4.41Å; H531-H550 VanDerWaalsContact CB-CE1 3.4Å; H531-H550 WeakPolarHBondContact CB-CE1 3.23Å; H531-H550 WeakPolarHBondContact CB-ND1 3.29Å; H531-H550 PolarHBondContact O-CE1 3.31Å; H531-H550 VanDerWaalsContact O-CE1 3.26Å; C532-H550 PolarHBondContact SG-NE2 3.29Å; H545-H550 AromaticContact NE2-CD2 3.75Å; H545-H550 AromaticContact NE2-NE2 3.58Å; I546-H550 CarbonylContact O-C 3.2Å; I546-H550 VanDerWaalsContact O-CA 3.29Å; I546-H550 WeakPolarHBondContact O-CA 3.47Å; I546-H550 WeakPolarHBondContact O-CB 3.3Å; I546-H550 PolarHBondContact O-N 2.87Å
551P66.5Low65.9Low81 Ų81102.4 Ų102.453%0.52653%0.53SS..  trans-55.6146.5178.725.8-34.8000111.2C549 E553C549-P551 VanDerWaalsContact C-CD 3.44Å; C549-P551 WeakPolarHBondContact O-CD 3.3Å; P551-E553 PolarHBondContact O-N 3.36Å
552S59.3Low63.9Low92 Ų92108.5 Ų108.564%0.64356%0.555SS**G310 helixtrans-66.9-4-159.247.90000116.9S554 R555S552-S554 PolarHBondContact O-N 3.4Å; S552-R555 WeakPolarHBondContact O-CB 3.3Å; S552-R555 PolarHBondContact O-N 3.23Å; S552-R555 VanDerWaalsContact O-N 3.16Å
553E53.9Low61.9Low173 Ų173112.4 Ų112.481%0.80858%0.582SS**G310 helixtrans-67.7-33.7-173.1-157.5155.6-144.300112.8P551 R555P551-E553 PolarHBondContact O-N 3.36Å; E553-R555 VanDerWaalsContact C-N 3.32Å; E553-R555 PolarHBondContact O-N 2.9Å
554S46.4Very low60.1Low74 Ų74117.3 Ų117.352%0.51761%0.605SS.*G310 helixtrans-79.3-8.917466.50000114.5S552 Q556S552-S554 PolarHBondContact O-N 3.4Å; S554-Q556 VanDerWaalsContact C-N 3.32Å; S554-Q556 PolarHBondContact O-N 3.2Å
555R54.3Low58.4Low88 Ų88120 Ų12033%0.33262%0.615SS.*G310 helixtrans-77.9-12.4-174.7-68.5-172.8167.4-158.3-7.1114.6H531 S552 E553H531-R555 PolarHBondContact CD2-NH2 3.43Å; H531-R555 PolarHBondContact NE2-NE 3.29Å; H531-R555 PolarHBondContact NE2-NH2 2.96Å; S552-R555 WeakPolarHBondContact O-CB 3.3Å; S552-R555 PolarHBondContact O-N 3.23Å; S552-R555 VanDerWaalsContact O-N 3.16Å; E553-R555 VanDerWaalsContact C-N 3.32Å; E553-R555 PolarHBondContact O-N 2.9Å
556Q49.7Very low56.7Low160 Ų160125.2 Ų125.275%0.74865%0.651SS**G310 helixtrans-93.3-17.5178.1-69-179.7-22.700112.9S554S554-Q556 VanDerWaalsContact C-N 3.32Å; S554-Q556 PolarHBondContact O-N 3.2Å
557V51.5Low55Low104 Ų104127.5 Ų127.563%0.6368%0.68SS**G310 helixtrans-83.5-33.5-176.8-173.90000112.1L559V557-L559 PolarHBondContact O-N 3.38Å
558L48Very low53.1Low151 Ų151132 Ų13279%0.79172%0.718SS**G310 helixtrans-96.436.6178.8-81.178.1000113.7
559L48.7Very low51.8Low140 Ų140129.7 Ų129.773%0.73372%0.715SS**G310 helixtrans-115.63.1166.3-91.2169.5000113.4V557V557-L559 PolarHBondContact O-N 3.38Å
560L49.1Very low50.5Low160 Ų160132.6 Ų132.684%0.83873%0.727SS**SBendtrans-102.87.7-178.8-84.7154000114.1
561Q49.3Very low49.1Very low188 Ų188137.8 Ų137.888%0.87976%0.757SS**  trans-135.549.4-179.8-152.7149.94300112.6
562M37.8Very low48.1Very low150 Ų150141.2 Ų141.274%0.73977%0.771SS**PPolyproline II helixtrans-84.5117.8158.7-105.2-61.4-55.600108.3L564M562-L564 PolarHBondContact O-N 3.41Å
563P43Very low47.4Very low103 Ų103144.3 Ų144.367%0.66978%0.779SS**PPolyproline II helixtrans-66.7127171.427.4-32.5000109.4R565P563-R565 PolarHBondContact O-N 3.27Å
564L43.7Very low47Very low166 Ų166142.3 Ų142.387%0.86978%0.777SS**PPolyproline II helixtrans-63.5126.5170.9-66.4171.8000108.5M562 P566M562-L564 PolarHBondContact O-N 3.41Å; L564-P566 WeakPolarHBondContact O-CD 3.23Å
565R47.3Very low47Very low238 Ų238147.2 Ų147.290%0.89880%0.795SS**PPolyproline II helixtrans-68.4127.6166.2-84-176163.1175.1-6.4108.5P563P563-R565 PolarHBondContact O-N 3.27Å
566P49.3Very low46.5Very low132 Ų132151.8 Ų151.886%0.85783%0.831SS**PPolyproline II helixtrans-59.1138.6159.2-17.731.6000108.8L564L564-P566 WeakPolarHBondContact O-CD 3.23Å
567G47.6Very low46.2Very low71 Ų71151.1 Ų151.173%0.73284%0.838SS**  trans-132.2108.8173.100000109.8
568C39.3Very low45.7Very low210 Ų210155.4 Ų155.4100%1.41986%0.857SS**  trans-170.80155.3-89.90000105.4

Retrieved 568 of 568 residues in 653.3 ms (Link to these results)