F7C4S3_MACMU Loading...

Growth factor independent 1 transcriptional repressor

AlphaFold DB , UniProt , Accession F7C4S3, Species MACMU (Macaca mulatta, Rhesus macaque), Gene GFI1, Length 422 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.8Very low38Very low236 Ų236168.4 Ų168.4100%1.16383%0.83SS**  0130.90-74.6-58.5177.700108.8
2P49.6Very low37.6Very low114 Ų114162.2 Ų162.274%0.7483%0.826SS**  trans-95.3162.9-165.436.8-35.5000113.9
3R41.5Very low37.4Very low259 Ų259163.9 Ų163.998%0.97783%0.828SS**  trans-124.6126.4147-101-178168.4155.6-2.4109.1
4S35.2Very low37.1Very low76 Ų76158.9 Ų158.953%0.53182%0.815SS.*  trans-105.5-175.4-168.944.60000112
5F33.4Very low36.5Very low185 Ų185163.1 Ų163.181%0.81182%0.819SS**  trans81.1129.6170.6-48.4-64.8000114.6
6L39.1Very low36.3Very low143 Ų143163.5 Ų163.575%0.74982%0.817SS**  cis-149.7125.17.9-109.2149.3000110.7
7V37.7Very low36.3Very low131 Ų131164.3 Ų164.379%0.79482%0.818SS**  trans-85.5112.1167.5176.70000108.8S9V7-S9 PolarHBondContact O-N 3.42Å
8K35.8Very low36.1Very low191 Ų191162.1 Ų162.183%0.8382%0.817SS**  trans-84.9103.6167.6-80-179.1176.4174.90109.6K10K8-K10 PolarHBondContact O-N 3.36Å
9S36.7Very low35.8Very low109 Ų109166.5 Ų166.576%0.76282%0.823SS**  trans-56.9124.8178.7-53.40000112.2V7 K11V7-S9 PolarHBondContact O-N 3.42Å; S9-K11 PolarHBondContact O-N 3Å
10K38.5Very low35.7Very low212 Ų212163.7 Ų163.792%0.92282%0.82SS**  trans-6998170.4-71.8-180178.5175.10109.2K8 A12K8-K10 PolarHBondContact O-N 3.36Å; K10-A12 PolarHBondContact O-N 3.34Å
11K34.7Very low35.7Very low196 Ų196161.9 Ų161.985%0.85282%0.82SS**  trans-68.3124174.1-152.3170.3-171.2175.70108.6S9 H13S9-K11 PolarHBondContact O-N 3Å; K11-H13 PolarHBondContact O-N 3.41Å
12A33.8Very low35.3Very low94 Ų94154.4 Ų154.478%0.77780%0.804SS**  trans-63.7126.9179.200000110.4K10 S14K10-A12 PolarHBondContact O-N 3.34Å; A12-S14 PolarHBondContact O-N 3.23Å
13H34.8Very low34.4Very low185 Ų185153.1 Ų153.186%0.85680%0.798SS**  trans-72.191.6171.9-90.1-93.6000109.7K11 Y15K11-H13 PolarHBondContact O-N 3.41Å; H13-Y15 PolarHBondContact O-N 2.92Å
14S32.8Very low34.1Very low93 Ų93148.3 Ų148.365%0.6579%0.791SS**  trans-65.4120.9168-170.80000109.5A12 H16A12-S14 PolarHBondContact O-N 3.23Å; S14-H16 PolarHBondContact O-N 3.26Å
15Y28.9Very low33.8Very low223 Ų223153.4 Ų153.488%0.87580%0.8SS**  trans-7288.7175.4-102.6-91.3000110.1H13 Q17H13-Y15 PolarHBondContact O-N 2.92Å; Y15-Q17 PolarHBondContact O-N 2.97Å
16H32Very low34Very low169 Ų169149.9 Ų149.978%0.78280%0.798SS**  trans-67.3113.9165.2-87.7-85.1000109.8S14S14-H16 PolarHBondContact O-N 3.26Å
17Q37Very low33.7Very low177 Ų177150.6 Ų150.683%0.82780%0.802SS**PPolyproline II helixtrans-73.4135.5164.5-67.3-177.5-0.700109.1Y15 R19Y15-Q17 PolarHBondContact O-N 2.97Å; Q17-R19 PolarHBondContact O-N 3.19Å
18P32.7Very low33.5Very low124 Ų124153.9 Ų153.981%0.80580%0.8SS**PPolyproline II helixtrans-65.7127.4171.226.6-32.3000109.8S20P18-S20 PolarHBondContact O-N 2.95Å
19R30.8Very low33.5Very low246 Ų246153.2 Ų153.293%0.92881%0.805SS**PPolyproline II helixtrans-64127.2172.7-71.2177.5169.3-175-4.4109.3Q17Q17-R19 PolarHBondContact O-N 3.19Å
20S33.3Very low33.3Very low111 Ų111154.4 Ų154.478%0.77680%0.798SS**PPolyproline II helixtrans-82.6137.3161.8-580000109.3P18P18-S20 PolarHBondContact O-N 2.95Å
21P35.3Very low33Very low126 Ų126152 Ų15282%0.81880%0.795SS**PPolyproline II helixtrans-65.1142.8171.727.7-33.1000110.4
22G28.8Very low33Very low79 Ų79149.3 Ų149.381%0.81480%0.795SS**PPolyproline II helixtrans-71.1141.2178.500000111.5
23S30.6Very low33Very low87 Ų87150.5 Ų150.561%0.60880%0.795SS**  trans-10188.8169.564.50000109.1
24D33.5Very low32.9Very low157 Ų157146.2 Ų146.284%0.8479%0.791SS**  trans-70.5125.2164.4-132.4-36.6000108.2
25Y29.7Very low32.9Very low184 Ų184148.1 Ų148.172%0.72280%0.802SS**  trans-15595.9163.742.9-99.3000111.5
26S37.4Very low33Very low111 Ų111142.7 Ų142.778%0.77680%0.796SS**  trans-89.7114.6156.2-67.30000109
27L33.2Very low33Very low157 Ų157146 Ų14682%0.82280%0.802SS**  trans-135.3104.4163.5-67.8174.7000105.9
28R32.4Very low32.5Very low200 Ų200141.8 Ų141.876%0.75580%0.797SS**  68.496.874.1-164.2173.3-176.8137.50.9110.8E30R28-E30 IonicContact CZ-OE1 3.51Å; R28-E30 IonicContact NE-OE1 3.08Å; R28-E30 PolarHBondContact NE-OE1 3.35Å; R28-E30 VanDerWaalsContact NE-OE1 3.08Å; R28-E30 IonicContact NH2-OE1 2.99Å; R28-E30 PolarHBondContact NH2-OE1 2.85Å
29L36.4Very low32.4Very low177 Ų177142.9 Ų142.993%0.92780%0.796SS**  trans-77.8120172-75.3157.5000109.3
30E33.8Very low32.4Very low135 Ų135135.8 Ų135.863%0.63178%0.784SS**  trans-137116.4161.9-72-177.3176.800110.7R28R28-E30 IonicContact CZ-OE1 3.51Å; R28-E30 IonicContact NE-OE1 3.08Å; R28-E30 PolarHBondContact NE-OE1 3.35Å; R28-E30 VanDerWaalsContact NE-OE1 3.08Å; R28-E30 IonicContact NH2-OE1 2.99Å; R28-E30 PolarHBondContact NH2-OE1 2.85Å
31N30.9Very low32.2Very low160 Ų160136.7 Ų136.786%0.85679%0.785SS**  trans40.2118.3149.3-61.2-31.3000121.9
32V34.4Very low32Very low140 Ų140135.9 Ų135.985%0.84878%0.783SS**  trans-107.2133.8150.2177.60000107.7
33P34.5Very low32Very low120 Ų120139.5 Ų139.578%0.77978%0.784SS**PPolyproline II helixtrans-77146.8-177.931.3-35.2000112.6
34A33.7Very low32Very low94 Ų94139.9 Ų139.978%0.77779%0.792SS**PPolyproline II helixtrans-94.9142.7175.500000111.9
35P32.2Very low31.7Very low134 Ų134136.2 Ų136.287%0.8779%0.791SS**PPolyproline II helixtrans-77.2157169.432.4-33.7000112.1
36S30.1Very low31.6Very low108 Ų108131.4 Ų131.476%0.75580%0.797SS**  trans-104.5139.6-160.654.90000116.2
37R32Very low31.2Very low240 Ų240130.6 Ų130.691%0.90680%0.797SS**  trans51128.4139.4-67.7-176.6171.3176.1-3.5121.4
38A27.8Very low31Very low88 Ų88133.2 Ų133.273%0.72780%0.802SS**  -150.9120.3116.800000110
39D29.3Very low30.7Very low146 Ų146128.3 Ų128.378%0.78180%0.804SS**  trans34.7146.4137.8-53.5-49.2000121.7
40S30.5Very low30.4Very low98 Ų98128.7 Ų128.769%0.68580%0.801SS**  cis-153.1156.435.4-51.20000114.4
41T30.8Very low30Very low129 Ų129126.5 Ų126.579%0.79180%0.801SS**  trans31.3141.3139.760.50000120.1
42S30.4Very low30.1Very low110 Ų110129.4 Ų129.477%0.76980%0.8SS**  cis174.5163.58.3450000105
43N29.4Very low29.8Very low155 Ų155127.5 Ų127.583%0.82979%0.785SS**  cis-155.1177.222-163.51.3000110.2
44A29.9Very low29.6Very low94 Ų94132 Ų13278%0.77779%0.786SS**  trans-55.5171.4174.400000114.2
45G27.5Very low29.5Very low80 Ų80135.6 Ų135.683%0.82579%0.792SS**  cis171-174.611.500000106.7
46G27.5Very low29.3Very low83 Ų83134 Ų13486%0.85678%0.784SS**  cis-168.2172-1.400000107.1
47A28.7Very low30.2Very low94 Ų94133.9 Ų133.978%0.77778%0.78SS**  trans-113.7150.4-168.500000114.7
48K29.3Very low30.1Very low213 Ų213130 Ų13093%0.92677%0.773SS**  trans74.6125.2160.6-64.2-177.2173.9-177.40119.7
49A26.1Very low30.3Very low97 Ų97130.9 Ų130.980%0.80277%0.774SS**  trans-147.2145.713300000110.6
50E28.7Very low30.3Very low184 Ų184131.3 Ų131.386%0.8677%0.771SS**  trans-25165.7145.9-76.4174.686.500117.7
51S27.2Very low30.2Very low90 Ų90133.9 Ų133.963%0.62978%0.776SS**  cis-169174-7.452.40000110.7
52R31.5Very low30.1Very low221 Ų221132.9 Ų132.983%0.83477%0.77SS**  trans83.9140.3143.2-98.4-178.4143.6134.72.2124.2
53D29Very low30Very low99 Ų99136.3 Ų136.353%0.52977%0.774SS.*  trans79.6116.9145.2-78.9-76.1000123.1
54R31.2Very low30.2Very low214 Ų214133.3 Ų133.381%0.80877%0.77SS**  trans69.1106130.1-72.1172.7-165.6-122.21.3121.6
55L30.4Very low30.9Very low170 Ų170135 Ų13589%0.8977%0.774SS**  176.9147.693.3-96154.9000112.5
56S27.8Very low31Very low102 Ų102138.5 Ų138.571%0.71377%0.773SS**  trans-121.5172.8161.1-132.50000105.8
57P48.9Very low31.1Very low104 Ų104146 Ų14668%0.67578%0.776SS**  cis-155.5-17542.942.5-18.5000118.4
58E31.3Very low31Very low159 Ų159146.2 Ų146.274%0.74378%0.778SS**  trans65.6124.7157.8-43.4-158.587.400119.8
59S31.3Very low31Very low107 Ų107141.8 Ų141.875%0.74877%0.774SS**  -164.1131.761.630.30000114.8
60Q29Very low31.1Very low155 Ų155141.8 Ų141.872%0.72477%0.774SS**  trans45.2114.1137.8-54.9-169.718.500119.6
61L29.2Very low31.2Very low151 Ų151138.7 Ų138.779%0.79177%0.773SS**  62.312085.1-75.2159.6000112.2
62T27.6Very low31.9Very low109 Ų109139.6 Ų139.667%0.66978%0.776SS**  -162.9133.955.834.20000110.3
63E28.6Very low31.7Very low182 Ų182136.2 Ų136.285%0.8578%0.775SS**  84.7129.8109-65.1-170.8120.400117.5
64A33.4Very low31.7Very low91 Ų91136.5 Ų136.575%0.75278%0.784SS**  trans-103.5167.7161.100000109
65P44.2Very low31.5Very low131 Ų131131.6 Ų131.685%0.85178%0.782SS**  -143175.2119.134.1-18.1000115.9
66D29.4Very low31.3Very low152 Ų152132.5 Ų132.581%0.81378%0.781SS**  trans-70.1168.9-168.9-77.1-78.4000119.1
67R29.3Very low31.3Very low240 Ų240130.9 Ų130.991%0.90678%0.781SS**  trans71120.4146.6-92.5173.8163.4161.6-4.5119
68A26.8Very low30.4Very low100 Ų100131.5 Ų131.583%0.82679%0.788SS**  -175.6160.791.500000112.8
69S30.2Very low30.3Very low119 Ų119130.4 Ų130.483%0.83279%0.792SS**  trans-86.4140.1179.749.10000113.8
70A28.4Very low30.1Very low97 Ų97130.9 Ų130.980%0.80279%0.794SS**  trans-159.2138.1152.100000112.7
71S31.4Very low29.9Very low120 Ų120132.1 Ų132.184%0.83980%0.8SS**  trans-119.3146.2144.9-56.80000105.8
72P41.6Very low29.9Very low109 Ų109135 Ų13571%0.70880%0.8SS**  -150.4168.2106.134.3-14.8000116.4
73D27.5Very low30Very low150 Ų150134.5 Ų134.580%0.80280%0.801SS**  trans40.4118.5146.8-68.4-75.6000124.7
74S28.9Very low30Very low104 Ų104130.3 Ų130.373%0.72779%0.791SS**  57.1117.7113.4-153.50000122.3
75C26.2Very low29.9Very low112 Ų112134.6 Ų134.676%0.75780%0.796SS**  trans-155.6132.1141.9-870000105.9
76E27Very low29Very low188 Ų188137 Ų13788%0.87979%0.794SS**  54.3129.474.6-59.7-160.8131.600113.4
77G26.3Very low29.2Very low69 Ų69137.3 Ų137.371%0.71179%0.79SS**  cis165.1132.1-6.500000111.7
78S29.9Very low29.3Very low117 Ų117132.2 Ų132.282%0.81878%0.78SS**  trans-157.9113.7168.9-66.10000107.6
79V29.8Very low29.3Very low136 Ų136136.5 Ų136.582%0.82478%0.781SS**  61.311763.6-177.70000110.2
80C26.5Very low29.3Very low117 Ų117143 Ų14379%0.79179%0.787SS**  cis-147.5177.10.4-111.50000107.9
81E25.9Very low29.4Very low181 Ų181148.9 Ų148.985%0.84679%0.789SS**  cis-165.8161.148.4-148.4173.514600114.2
82R28.2Very low29.7Very low212 Ų212148.6 Ų148.680%0.878%0.784SS**  trans-33.5143.2172.3-147.6163.8-70.1-113.4-3115.4
83S29.5Very low29.3Very low98 Ų98149 Ų14969%0.68579%0.787SS**  -167.9135.765.8-54.70000109.3
84S30.6Very low29.4Very low93 Ų93147.4 Ų147.465%0.6579%0.787SS**  41.3124.87667.30000113
85E30.7Very low30.6Very low181 Ų181148 Ų14885%0.84679%0.788SS**  cis-134.1171.116.3-60.9161.899.100108.3
86F25.1Very low30.7Very low183 Ų183148.4 Ų148.480%0.80379%0.793SS**  cis-175.512849.2-178.9-93.5000108.5
87E32.9Very low30.7Very low158 Ų158144 Ų14474%0.73879%0.789SS**  trans-93.5158.4177.7-78-82.586.300112.2
88D30.9Very low30.9Very low132 Ų132146.2 Ų146.271%0.70679%0.793SS**  trans50.6107.3153.1-73.6-31.2000121.6
89F27.8Very low31.5Very low190 Ų190146.6 Ų146.683%0.83379%0.793SS**  trans-15285.5136.7-134-89.6000112.9
90W29.8Very low31.5Very low255 Ų255144.8 Ų144.897%0.96679%0.792SS**  trans-121.7100.6163.7-9199.4000111.1
91R31.6Very low31.6Very low221 Ų221144.2 Ų144.283%0.83479%0.789SS**  trans-130.6127.6166.2-144.2177.8-152.9-151.46.6109.3
92P37.5Very low31.7Very low114 Ų114142.4 Ų142.474%0.7478%0.781SS**  trans-86.9149.3-175.934.4-34.9000112.1
93P32.5Very low31.9Very low118 Ų118140.2 Ų140.277%0.76678%0.777SS**  trans-100.8146.7165.935.7-30.3000112.9
94S28.7Very low31.8Very low116 Ų116140.4 Ų140.481%0.81178%0.779SS**  trans-169.5156.5166.8-71.30000108.1
95P55.9Low31.7Very low116 Ų116144.2 Ų144.275%0.75379%0.788SS**  cis-121.8-158.4-49.338.7-24000110.6
96S26.8Very low31.7Very low122 Ų122140.9 Ų140.985%0.85378%0.784SS**  trans80.6151.4178.686.70000115.4
97A27Very low32.3Very low95 Ų95138.4 Ų138.479%0.78579%0.786SS**  cis-149.1168.9-3.300000110.9
98S32.2Very low32.1Very low116 Ų116136 Ų13681%0.81179%0.786SS**  trans-94.2160.6163.2-46.30000110
99P41.5Very low32.1Very low124 Ų124136.9 Ų136.981%0.80579%0.791SS**  -151.6-179.478.438.6-17.5000117.5
100A29Very low32.3Very low98 Ų98134.1 Ų134.181%0.8178%0.784SS**  trans0.9158.6154.200000121.7
101S29.1Very low32.5Very low105 Ų105130.3 Ų130.373%0.73478%0.777SS**  cis-158.2167.86.941.30000108.9
102E28.3Very low32.3Very low144 Ų144124 Ų12467%0.67377%0.772SS**  -172.9144.269.1-78.4-164.786.900115.1
103K32.3Very low32.1Very low165 Ų165127.1 Ų127.172%0.71778%0.777SS**  trans44.2133.4136.8-59.7172.6-172.8151.20125
104S28.3Very low32.8Very low103 Ų103125.7 Ų125.772%0.7277%0.768SS**  trans70.6149.7139.3700000119.1
105M27.2Very low32.7Very low173 Ų173128.8 Ų128.885%0.85277%0.767SS**  cis-150.1158.1-0-15378.883.900109.7
106C32.1Very low32.1Very low110 Ų110129 Ų12974%0.74377%0.769SS**  trans-86164.7163.6-60.30000111.4
107P36.1Very low32.6Very low132 Ų132130.2 Ų130.286%0.85777%0.765SS**  -132.3175.6125.238-29.8000113.5
108S29.4Very low33.5Very low106 Ų106130.9 Ų130.974%0.74176%0.761SS**  trans-139.6150.4-173.9-570000112.6
109L31.8Very low33.3Very low152 Ų152134 Ų13480%0.79676%0.76SS**  trans69.6152.6153.3-97.582000123.1
110D30.7Very low32.9Very low131 Ų131137.5 Ų137.570%0.70176%0.763SS**  trans67.1142.5163.7-63.7-49.3000119.6
111E34.2Very low33.7Very low176 Ų176138 Ų13882%0.82276%0.758SS**  cis-157.6177.20.8-136.5179.9122.900112.6
112A28.4Very low33.8Very low87 Ų87143.6 Ų143.672%0.71976%0.764SS**  trans73.4101.4156.200000125
113Q32.7Very low34Very low180 Ų180140.9 Ų140.984%0.84176%0.761SS**  29.1166117.2-63.1-68.4-49.900123.2
114P46.9Very low33.9Very low89 Ų89144.8 Ų144.858%0.57877%0.772SS**  -140.6-174.8-64.838.5-17.1000116.7
115F26.3Very low34.1Very low180 Ų180145 Ų14579%0.78977%0.773SS**  trans76.2160.6168.8-70-69.5000119.8
116P43.8Very low34.2Very low122 Ų122140 Ų14079%0.79277%0.766SS**  cis-124.7179.35.337.7-19.4000117.8
117L38.2Very low34.3Very low147 Ų147143.8 Ų143.877%0.7778%0.778SS**  trans-81.4-176.6-179.2-54.5167000113.1
118P45.8Very low34.3Very low109 Ų109142.5 Ų142.571%0.70878%0.778SS**  -154.4169.283.843.9-25.2000119.5
119F26.6Very low34.3Very low182 Ų182140.7 Ų140.780%0.79878%0.777SS**  trans76.773.5158-68.2-66.3000124.5
120K32.8Very low34.4Very low197 Ų197138.9 Ų138.986%0.85778%0.777SS**  55.1153.8108.8-75.1-172.6174.5-178.80125.7
121P47.1Very low34.5Very low109 Ų109139.6 Ų139.671%0.70878%0.78SS**  trans-127.1-176.2-17345.8-30000116.2
122Y31.4Very low34.4Very low221 Ų221137.4 Ų137.487%0.86777%0.774SS**  trans-145.1114.7156.7-86.4-92000108.4
123S31.2Very low34.6Very low87 Ų87142.9 Ų142.961%0.60878%0.776SS**  52.8131.394.179.40000115.1
124W30.3Very low34.7Very low248 Ų248141.6 Ų141.694%0.93977%0.77SS**  -139.6146.866.5-93.744.5000115.7
125S33.1Very low34Very low107 Ų107143.2 Ų143.275%0.74877%0.773SS**  trans-84.1162.1148.147.60000109.5
126G30.1Very low34.2Very low68 Ų68142 Ų14270%0.70178%0.779SS**  cis138.1134.79.300000109
127L33Very low33.7Very low189 Ų189143.1 Ų143.199%0.9977%0.774SS**  trans-142.7153.1169.9-82.1-178.9000110.3
128A35.8Very low33.2Very low105 Ų105140.3 Ų140.387%0.86877%0.767SS**  trans-121.8167.8-168.200000112.3
129G30.2Very low32.2Very low69 Ų69146.2 Ų146.271%0.71178%0.776SS**  trans139.4103.715900000117.3
130S33.8Very low32.5Very low114 Ų114148.7 Ų148.780%0.79778%0.781SS**  trans34.9112.3140.856.90000122.3
131D32.7Very low32.9Very low145 Ų145145.2 Ų145.278%0.77578%0.778SS**  53.7117.9111.6-138-8.4000120.8
132L32.3Very low32.2Very low131 Ų131146.4 Ų146.469%0.68679%0.788SS**  163.4110121.7-84.3166.7000114.3
133R33.2Very low32.1Very low202 Ų202139 Ų13976%0.76278%0.778SS**  trans68.2153.8139.8-52.4-177.7-179.8-162.62.8124.1
134H33.9Very low32Very low153 Ų153139.6 Ų139.671%0.70879%0.789SS**  trans88.8103.1152.5-71.5-63.6000121.5
135L33.1Very low31.8Very low123 Ų123134.9 Ų134.964%0.64478%0.781SS**  trans72.390.6133.5-124.173.9000119.2Q137L135-Q137 HydrophobicContact CD2-CB 4.39Å; L135-Q137 HydrophobicContact CD2-CG 4.37Å; L135-Q137 HydrophobicContact CG-CB 4.46Å; L135-Q137 HydrophobicContact CG-CG 4.33Å; L135-Q137 PolarHBondContact O-N 3.49Å
136V30.5Very low31.7Very low153 Ų153136 Ų13693%0.92777%0.774SS**  trans-77.497.8146.3176.40000108.7
137Q32.3Very low31.7Very low147 Ų147143.4 Ų143.469%0.68778%0.781SS**  trans-134.7139.4156.1-88.7178.2-9.400105.1L135L135-Q137 HydrophobicContact CD2-CB 4.39Å; L135-Q137 HydrophobicContact CD2-CG 4.37Å; L135-Q137 HydrophobicContact CG-CB 4.46Å; L135-Q137 HydrophobicContact CG-CG 4.33Å; L135-Q137 PolarHBondContact O-N 3.49Å
138S28.1Very low31.4Very low87 Ų87138 Ų13861%0.60877%0.771SS**  cis172.4131.7-4.742.40000103.6
139Y25.6Very low31.2Very low233 Ų233138.2 Ų138.291%0.91477%0.772SS**  trans69.9126.1160.7-74.7-116.7000120
140R31.5Very low31.1Very low235 Ų235138.1 Ų138.189%0.88777%0.771SS**  trans-23.9158.2137.4-90.7-178.7171-167.6-2.6115
141P42.7Very low31.1Very low124 Ų124141.3 Ų141.381%0.80578%0.779SS**  cis-147.8-171.743.439.5-17.6000117.8
142C31.3Very low30.8Very low134 Ų134138.1 Ų138.191%0.90578%0.78SS**  trans-78.6145.3176.3-178.20000112.7
143G28.5Very low30.8Very low64 Ų64140.6 Ų140.666%0.6679%0.793SS**  trans168.7102.1168.600000107.8
144A29.1Very low30.4Very low101 Ų101139.7 Ų139.784%0.83580%0.795SS**  92.7137.471.600000112.9
145L28Very low30.1Very low149 Ų149138.6 Ų138.678%0.7880%0.803SS**  trans90.698.8157.9-139.168.6000120.6
146E28.9Very low30Very low129 Ų129140.8 Ų140.860%0.60381%0.81SS**  87.1142.7128-82.9-177.1-162.700126.2
147R30.7Very low30Very low225 Ų225139.7 Ų139.785%0.84981%0.806SS**  trans74.7122.6145.4-88179.5-91.8164.7-7.1119.8
148G27.6Very low30Very low76 Ų76137 Ų13778%0.78481%0.809SS**  trans152.882147.400000115.9
149A31Very low30.9Very low108 Ų108138.9 Ų138.989%0.89382%0.819SS**  trans17.9128.8152.500000121.3
150G27.9Very low31.6Very low67 Ų67136.3 Ų136.369%0.69182%0.815SS**  119.2134.911000000118.3
151L33.9Very low32.6Very low182 Ų182131.3 Ų131.395%0.95381%0.813SS**  trans69.8107.1167.6-49.2-177.1000115.5
152G27.7Very low31.9Very low78 Ų78129 Ų12980%0.80481%0.812SS**  trans-103.2-171.8175.800000113
153L31.4Very low32.2Very low182 Ų182131.7 Ų131.795%0.95381%0.811SS**  trans-143.3148.5159.1-100.3167.6000109.5
154F25.6Very low33.2Very low184 Ų184134.4 Ų134.481%0.80782%0.817SS**  trans-70.2150.6-176.5-115-119.5000112.9
155C26.6Very low33.5Very low129 Ų129134.1 Ų134.187%0.87281%0.814SS**  -172.8144.1118.7-103.90000112.5
156E30.3Very low33.5Very low170 Ų170131.5 Ų131.579%0.79481%0.814SS**  trans-84.5167.2-178.8-59.6-174.897.300113.9
157P31.6Very low33.7Very low129 Ų129133 Ų13384%0.83883%0.825SS**  trans-125.3129.8153.135.8-22.9000113.8
158A31.7Very low33.7Very low91 Ų91133.9 Ų133.975%0.75283%0.83SS**  trans-166.1162.5169.300000110.4
159P48.4Very low33.7Very low127 Ų127133.2 Ų133.283%0.82582%0.824SS**  cis-135.6-174.1-30.535.4-15.7000114.5
160E38.4Very low34.6Very low179 Ų179133.5 Ų133.584%0.83682%0.817SS**  trans-63.5169.4175.6-56.8-79.2133.400116
161P53.6Low35Very low129 Ų129139.7 Ų139.784%0.83883%0.825SS**  -143.1159.8122.138.3-25.4000114.5
162G28.8Very low34.8Very low75 Ų75143.1 Ų143.177%0.77383%0.825SS**  cis-179.6174.42.300000113.7
163H35.8Very low35Very low191 Ų191144 Ų14488%0.88482%0.824SS**  trans-98.3170.7-178.7-94-84.5000113.3
164P51.3Low35.1Very low121 Ų121140.5 Ų140.579%0.78682%0.822SS**  -147.3-179.9101.937.7-21.5000113.6
165A34Very low35.2Very low95 Ų95135.6 Ų135.679%0.78582%0.823SS**  cis-173.4175.6-38.800000109
166A29.1Very low35.2Very low94 Ų94133.1 Ų133.178%0.77782%0.82SS**  trans91.8134.6175.800000116.9
167L32.1Very low35.2Very low160 Ų160130.3 Ų130.384%0.83883%0.825SS**  cis137.2112.3-10.3-90.7175.2000108.7
168Y30.3Very low35.1Very low244 Ų244127.9 Ų127.996%0.95782%0.824SS**  trans175.2144.9132-111.8-94.9000109.7
169G27.4Very low35Very low63 Ų63128.9 Ų128.965%0.64983%0.832SS**  trans-115.2-147.7179.600000112.9
170P51.5Low33.9Very low114 Ų114126.5 Ų126.574%0.7483%0.831SS**  cis-146.8-175.7-9.645.3-27.2000116.5
171K34.8Very low33.8Very low197 Ų197122.5 Ų122.586%0.85783%0.828SS**  trans64.3123.2152.9-72.2176.4-178.8179.60122.7
172R31.2Very low33.4Very low254 Ų254122.5 Ų122.596%0.95883%0.828SS**  -167.2173.7101.3-106.9-175.2175.6-158.6-1.4112.4
173A31.8Very low33.5Very low95 Ų95122.6 Ų122.679%0.78583%0.829SS**  trans-134.2-177.4-150.800000115.6
174A31.9Very low33.3Very low110 Ų110119.2 Ų119.291%0.90983%0.827SS**  trans76.9143.1173.600000116.5
175G28.2Very low32.2Very low81 Ų81119.2 Ų119.284%0.83583%0.828SS**  cis-157.8168.8-2.300000110.9
176G28Very low32.1Very low77 Ų77120.8 Ų120.879%0.79483%0.834SS**  trans-126.4-157.9-168.500000116.2
177A30.2Very low32.3Very low111 Ų111121.5 Ų121.592%0.91784%0.839SS**  trans68.7137.1-168.700000113.7
178G27.9Very low32.1Very low78 Ų78117.8 Ų117.880%0.80484%0.84SS**  cis110.5143.424.700000108.3
179A29.7Very low32.3Very low111 Ų111111.5 Ų111.592%0.91784%0.839SS**  cis-161.5-177.7-1.100000108.1
180G26.8Very low32.4Very low78 Ų78112.5 Ų112.580%0.80485%0.849SS**  trans119.194.9157.100000117.9
181A34.5Very low31.4Very low95 Ų95111.8 Ų111.879%0.78585%0.852SS**  trans-88169.8137.100000107.5
182P46Very low31.2Very low128 Ų128109.7 Ų109.783%0.83186%0.856SS**  -15517259.841.1-20000118.4
183G31.6Very low31.2Very low77 Ų77102.6 Ų102.679%0.79485%0.852SS**  trans80159.7154.100000117.6
184S32Very low31Very low121 Ų121101.5 Ų101.585%0.84685%0.85SS**  cis-160.2175.4-5.260.10000112.8
185C27Very low31.9Very low120 Ų120102.7 Ų102.781%0.81185%0.848SS**  trans-51.6156.1-173.6-37.80000118.2
186S31.2Very low32.1Very low128 Ų128102 Ų10290%0.89584%0.842SS**  -170.3155.9126.3320000112.5
187A34.3Very low32.4Very low109 Ų109107.1 Ų107.190%0.90185%0.849SS**  trans-124.3157.6176.900000110.1
188G28.7Very low32.4Very low82 Ų82104.7 Ų104.785%0.84584%0.836SS**  trans-166.9139.2175.700000111.7
189A34.5Very low32.6Very low113 Ų113107.5 Ų107.593%0.93483%0.832SS**  trans-109.9162.2-177.100000111.9
190G27.6Very low32.7Very low83 Ų83112.4 Ų112.486%0.85683%0.828SS**  trans179.6132.5170.700000112.5
191A32.4Very low32.8Very low99 Ų99112.4 Ų112.482%0.81883%0.828SS**  trans-130.6143.2177.800000110.6
192T30.5Very low32.8Very low154 Ų154115.4 Ų115.495%0.94583%0.831SS**  trans-156.4168.6164.235.80000110.7
193A30.7Very low32.1Very low104 Ų104119.7 Ų119.786%0.8684%0.836SS**  trans-96.1176.9-158.400000116.6
194G28.2Very low32Very low72 Ų72119.3 Ų119.374%0.74283%0.833SS**  trans-78.3-144.9177.600000114.6
195P50.8Low32.2Very low136 Ų136119.5 Ų119.588%0.88383%0.834SS**  cis-108.2-168.14.142.3-32.4000112.6
196G31.3Very low32.4Very low67 Ų67118.4 Ų118.469%0.69183%0.834SS**  cis131.5131.1-8.900000114.6
197L34.3Very low32.4Very low183 Ų183117.3 Ų117.396%0.95883%0.832SS**  trans-141139.9172.1-80.7-179.2000110.6
198G29.3Very low32.3Very low61 Ų61117.1 Ų117.163%0.62983%0.831SS**  trans-128.5-132.2177.800000112
199L33Very low32.3Very low137 Ų137117 Ų11772%0.71783%0.829SS**  trans82.2135.1-178.7-43.8158.1000112.8
200Y31.1Very low32.2Very low214 Ų214120.2 Ų120.284%0.83983%0.83SS**  cis-147.71640-48.3-102000107.1
201G30.5Very low32.1Very low78 Ų78126 Ų12680%0.80483%0.827SS**  cis178.6154.4-2.300000110.6
202D32.9Very low31.9Very low158 Ų158128 Ų12885%0.84582%0.82SS**  trans-96.2158.4-175.9-95.8-71.9000114.3
203F32.4Very low32.1Very low217 Ų217130.7 Ų130.795%0.95281%0.813SS**  trans-161.6138.6144.9-91.2-78.9000107.5
204G29.8Very low32.3Very low70 Ų70131.9 Ų131.972%0.72281%0.812SS**  cis163.7112.8-1.100000110.6
205S36.3Very low32.5Very low125 Ų125133.9 Ų133.987%0.87481%0.809SS**  trans-26.6159.9172.9-50.80000120.3
206A31.3Very low31.5Very low97 Ų97132.3 Ų132.380%0.80281%0.808SS**  -177.9148.8108.200000117.3
207A30.1Very low31.6Very low104 Ų104134.3 Ų134.386%0.8682%0.818SS**  trans77.5132.1142.500000122.2
208A31.7Very low31.4Very low106 Ų106129.6 Ų129.688%0.87681%0.806SS**  trans-105.1159.8167.200000110.7
209G28.7Very low31.7Very low78 Ų78130.6 Ų130.680%0.80482%0.815SS**  trans-147.4132.8172.800000111.4
210L32.6Very low31.5Very low181 Ų181130.8 Ų130.895%0.94882%0.816SS**  trans-87.2133.4176.7-66.8158.1000110.1
211Y26.4Very low31.4Very low205 Ų205128.7 Ų128.780%0.80482%0.819SS**  trans-162.9161.8138.1-163-117000112.6
212E28.7Very low31.3Very low142 Ų142135.3 Ų135.366%0.66482%0.821SS**  trans-62.5167.2-151.4-68.4-175.6136.100122.1
213R33.8Very low31.4Very low210 Ų210133.3 Ų133.379%0.79282%0.817SS**  trans-75.2151.1165.8-70.216357.4179.6-3.1111.2
214P35.3Very low31.5Very low129 Ų129131.9 Ų131.984%0.83881%0.813SS**  -117149.8129.6-2.722.6000112.3
215T32.3Very low31.7Very low113 Ų113140.3 Ų140.369%0.69382%0.823SS**  trans-84.2128.1171.443.90000111.7
216A29.2Very low31.4Very low104 Ų104137.4 Ų137.486%0.8681%0.813SS**  trans-148.6136.6157.400000109.9
217A33.3Very low31.4Very low108 Ų108142 Ų14289%0.89382%0.818SS**  trans-85.5136179.400000111.1
218A31.8Very low31.3Very low85 Ų85140.7 Ų140.770%0.70281%0.814SS**  trans-152.7104.3163.900000110
219G34.5Very low31.3Very low81 Ų81144.1 Ų144.184%0.83582%0.816SS**  trans-76.2123.7161.600000108.7
220L28.6Very low31.4Very low141 Ų141149.3 Ų149.374%0.73882%0.819SS**  trans-118.7100.7175.7-72.6177.6000110.8
221L29.4Very low31.4Very low171 Ų171145.4 Ų145.490%0.89581%0.813SS**PPolyproline II helixtrans-57.8131.4152-67159.1000108.2
222Y27.7Very low31.6Very low216 Ų216143.2 Ų143.285%0.84782%0.815SS**PPolyproline II helixtrans-86.5145.8169.6-104-100.9000110.9
223P35.4Very low32.1Very low116 Ų116146.2 Ų146.275%0.75383%0.826SS**PPolyproline II helixtrans-103.9153.9-153.738.2-34.4000115.6
224E33.9Very low31.8Very low188 Ų188139.6 Ų139.688%0.87982%0.824SS**PPolyproline II helixtrans-80.1129.1165.4-82.5-95.4101.600111.8
225R34.1Very low31.5Very low247 Ų247138.1 Ų138.193%0.93282%0.822SS**  trans-166.6133.6152.2-105.2178.3-171.2178.93.5107
226G30.8Very low31.3Very low64 Ų64136.6 Ų136.666%0.6683%0.829SS**  cis118.774.811.600000110.5
227H32.2Very low31.4Very low194 Ų194137.4 Ų137.490%0.89882%0.823SS**  trans-134.5115.8166.3-95.6-86.7000109.1
228G27.9Very low31.4Very low75 Ų75141.3 Ų141.377%0.77382%0.82SS**  trans-77.3158.5176.800000112.2
229L31.4Very low31.4Very low178 Ų178142.3 Ų142.393%0.93282%0.817SS**  trans-120144.6168-73.4176000110.2
230H30.2Very low31.4Very low188 Ų188147.4 Ų147.487%0.8782%0.819SS**  trans-58.2146.8-177.3-93-125.2000112.9
231A33.4Very low32Very low99 Ų99145.2 Ų145.282%0.81882%0.816SS**  trans-71.2129.1161.200000109.6
232D30.4Very low32.6Very low159 Ų159143 Ų14385%0.8580%0.8SS**  trans-133.3149.3159.4-141-44.4000110.7
233K37.5Very low33.5Very low204 Ų204137.3 Ų137.389%0.88778%0.784SS**  trans-100.7124.6-166.5-65.8169.8178.9171.20110
234G27.7Very low34.1Very low72 Ų72137.8 Ų137.874%0.74278%0.78SS**  trans178.3121.7168.400000116.6
235A29.8Very low34.7Very low97 Ų97131.7 Ų131.780%0.80276%0.757SS**  trans49.670.3154.400000117.6V237A235-V237 PolarHBondContact O-N 3.16Å
236G28.3Very low35.5Very low81 Ų81124 Ų12484%0.83574%0.737SS**  trans-65.894.1161.600000111.8K238G236-K238 PolarHBondContact O-N 3.22Å; G236-K238 VanDerWaalsContact O-N 3.11Å
237V31Very low36.3Very low122 Ų122129.7 Ų129.774%0.73974%0.739SS**  trans-76.194.4164.3-174.50000107.8A235 V239A235-V237 PolarHBondContact O-N 3.16Å; V237-V239 HydrophobicContact CG1-CG2 3.84Å; V237-V239 PolarHBondContact O-N 3.28Å
238K33.6Very low36.9Very low190 Ų190125.6 Ų125.683%0.82672%0.723SS**  trans-57.8108.1172.1-80.1-178.8172.6178.60110.1G236G236-K238 PolarHBondContact O-N 3.22Å; G236-K238 VanDerWaalsContact O-N 3.11Å
239V32.6Very low38Very low105 Ų105129 Ų12964%0.63672%0.723SS**  trans-124.530.9165.7-155.50000110.8V237V237-V239 HydrophobicContact CG1-CG2 3.84Å; V237-V239 PolarHBondContact O-N 3.28Å
240E34.3Very low39Very low188 Ų188128.1 Ų128.188%0.87972%0.718SS**  trans-92.87.8-179.9-63.4-169.7129.800113.7
241S40.9Very low39.9Very low96 Ų96123.9 Ų123.967%0.67173%0.725SS**SBendtrans-104-7.5-173.460.80000116.3
242E41.8Very low41Very low124 Ų124121.5 Ų121.558%0.57971%0.711SS**SBendtrans-105.8-1.1-176.7-85.8-74.6129.500114.4K259E242-K259 IonicContact OE2-NZ 2.67Å; E242-K259 PolarHBondContact OE2-NZ 2.86Å
243L45.6Very low42.4Very low97 Ų97116.2 Ų116.251%0.50869%0.694SS.*  trans-103.259.8175.2-83.6136.8000111.1C245 E271L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 3.42Å; L243-E271 HydrophobicContact CD2-CB 4.22Å; L243-E271 HydrophobicContact CD2-CG 4.19Å
244L49.3Very low44.1Very low126 Ų126108.4 Ų108.466%0.6667%0.665SS**  trans-61.492.9169.7-76.6170.6000110.3I258L244-I258 HydrophobicContact CB-CD1 3.38Å; L244-I258 HydrophobicContact CD1-CD1 4.15Å; L244-I258 HydrophobicContact CG-CD1 4.42Å; L244-I258 WeakPolarHBondContact O-CD1 3.39Å
245C46.2Very low46.4Very low60 Ų60107.2 Ų107.241%0.40564%0.638SS.*  trans-104.989.5-176.8175.30000110.2L243 R247 Y255L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 3.42Å; C245-R247 PolarHBondContact O-N 3.26Å; C245-Y255 VanDerWaalsContact SG-CD1 3.52Å
246T50.1Low48.7Very low84 Ų84106.7 Ų106.752%0.51562%0.618SS.*  trans-71.698.4173.346.40000110.6L248T246-L248 PolarHBondContact O-N 3.15Å; T246-L248 VanDerWaalsContact O-N 3.1Å
247R47Very low51.3Low185 Ų185103 Ų10370%0.69858%0.579SS**  trans-67.8100.6171-173.8177.7-173.5166.10.4108.7C245 L249C245-R247 PolarHBondContact O-N 3.26Å; R247-L249 HydrophobicContact CG-CD2 4.12Å; R247-L249 PolarHBondContact O-N 3.46Å; R247-L249 VanDerWaalsContact O-N 3.07Å
248L46.5Very low53.5Low107 Ų107102 Ų10256%0.5657%0.569SS**  trans-67.6106172.1-74.2171.4000109T246 L250T246-L248 PolarHBondContact O-N 3.15Å; T246-L248 VanDerWaalsContact O-N 3.1Å; L248-L250 PolarHBondContact O-N 3.05Å
249L50.1Low55.6Low146 Ų14698.8 Ų98.876%0.76456%0.555SS**  trans-79.155.4-177.2-70.9172.8000112.5R247R247-L249 HydrophobicContact CG-CD2 4.12Å; R247-L249 PolarHBondContact O-N 3.46Å; R247-L249 VanDerWaalsContact O-N 3.07Å
250L53.6Low57.9Low160 Ų16096.2 Ų96.284%0.83854%0.541SS*.SBendtrans-140.3106.4169.7-71.4176.6000110.8L248 G252L248-L250 PolarHBondContact O-N 3.05Å; L250-G252 VanDerWaalsContact C-N 3.25Å; L250-G252 PolarHBondContact O-N 3.16Å
251G48.6Very low60.1Low99 Ų9990.5 Ų90.5100%1.02152%0.522SS*.SBendtrans70.1-16155.200000119.7
252G55.9Low62Low49 Ų4991.8 Ų91.851%0.50552%0.515SS..SBendtrans-174.811417900000111.9L250 S254L250-G252 VanDerWaalsContact C-N 3.25Å; L250-G252 PolarHBondContact O-N 3.16Å; G252-S254 PolarHBondContact O-N 2.91Å
253G59.5Low64Low49 Ų4990.2 Ų90.251%0.50551%0.514SS..  trans-62.496.2-171.300000113.1Y255G253-Y255 WeakPolarHBondContact O-CE2 3.49Å
254S73.8Confident65.7Low39 Ų3987.9 Ų87.927%0.27350%0.5SS..  trans-113.1141.1176.371.10000111.2G252 F264G252-S254 PolarHBondContact O-N 2.91Å; S254-F264 CarbonylContact C-O 3.58Å; S254-F264 WeakPolarHBondContact CA-O 3.4Å
255Y76.4Confident67.2Low47 Ų4786.7 Ų86.718%0.18450%0.502CS..EExtended strand (participates in β ladder)trans-115.8108.6-164.3-65.9-91.9000109.1C245 G253 V263 F264 T266 P267C245-Y255 VanDerWaalsContact SG-CD1 3.52Å; G253-Y255 WeakPolarHBondContact O-CE2 3.49Å; Y255-V263 CarbonylContact O-C 3.23Å; Y255-V263 WeakPolarHBondContact O-CA 3.44Å; Y255-F264 PolarHBondContact N-O 2.72Å; Y255-F264 WeakPolarHBondContact O-CD2 3.25Å; Y255-F264 PolarHBondContact O-N 3.21Å; Y255-T266 VanDerWaalsContact CD2-C 3.43Å; Y255-P267 HydrophobicContact CD1-CB 3.98Å; Y255-P267 HydrophobicContact CE1-CB 3.58Å; Y255-P267 HydrophobicContact CE1-CG 4.21Å; Y255-P267 HydrophobicContact CE2-CB 4.45Å; Y255-P267 HydrophobicContact CE2-CG 4.45Å
256K78.7Confident68.9Low87 Ų8787.1 Ų87.138%0.37850%0.503SS..EExtended strand (participates in β ladder)trans-95.4128.4-176.2-170.7178.4177.4-1750111.6I258 S261 K262 V263K256-I258 PolarHBondContact O-N 2.89Å; K256-S261 VanDerWaalsContact CE-CB 3.45Å; K256-S261 WeakPolarHBondContact CE-OG 3.28Å; K256-S261 PolarHBondContact NZ-OG 2.97Å; K256-K262 CarbonylContact C-O 3.55Å; K256-K262 WeakPolarHBondContact CA-O 3.31Å; K256-V263 HydrophobicContact CB-CG2 4.43Å; K256-V263 HydrophobicContact CG-CG2 4.26Å
257C81Confident70.2Confident3 Ų386.5 Ų86.52%0.0250%0.5CS..  trans-74.3123.1169.9179.60000110.6S261 K262 F264 L270 H273 H278C257-S261 WeakPolarHBondContact O-CA 3.15Å; C257-S261 PolarHBondContact O-N 3.41Å; C257-K262 PolarHBondContact N-O 3.18Å; C257-F264 HydrophobicContact CB-CE2 4.29Å; C257-L270 HydrophobicContact CB-CD1 3.53Å; C257-H273 WeakPolarHBondContact CB-NE2 3.48Å; C257-H273 PolarHBondContact SG-NE2 3.27Å; C257-H278 PolarHBondContact SG-NE2 3.31Å
258I79.1Confident71.8Confident101 Ų10183.5 Ų83.552%0.51849%0.494SS..THydrogen-bonded Turntrans-67.3-40.3179.1-66.1171.1000111.5L244 K256 C260L244-I258 HydrophobicContact CB-CD1 3.38Å; L244-I258 HydrophobicContact CD1-CD1 4.15Å; L244-I258 HydrophobicContact CG-CD1 4.42Å; L244-I258 WeakPolarHBondContact O-CD1 3.39Å; K256-I258 PolarHBondContact O-N 2.89Å; I258-C260 VanDerWaalsContact C-N 3.32Å; I258-C260 PolarHBondContact O-N 3.24Å
259K77.4Confident73.4Confident122 Ų12279.4 Ų79.453%0.5348%0.477SS..THydrogen-bonded Turntrans-74.1-13.7-174.7-65.2177.8-177.7170.50114.4E242 H278E242-K259 IonicContact OE2-NZ 2.67Å; E242-K259 PolarHBondContact OE2-NZ 2.86Å; K259-H278 HydrophobicContact CD-CB 3.95Å
260C80.8Confident74.9Confident51 Ų5172.9 Ų72.935%0.34544%0.444SS..THydrogen-bonded Turntrans-147.712.8173.874.70000116.3I258 K262 H273I258-C260 VanDerWaalsContact C-N 3.32Å; I258-C260 PolarHBondContact O-N 3.24Å; C260-K262 PolarHBondContact O-N 3.23Å; C260-H273 PolarHBondContact SG-CE1 3.11Å; C260-H273 PolarHBondContact SG-NE2 3.31Å
261S80.6Confident76Confident69 Ų6968.9 Ų68.948%0.48342%0.42SS..  trans54.910.6179.9-77.10000117.7K256 C257K256-S261 VanDerWaalsContact CE-CB 3.45Å; K256-S261 WeakPolarHBondContact CE-OG 3.28Å; K256-S261 PolarHBondContact NZ-OG 2.97Å; C257-S261 WeakPolarHBondContact O-CA 3.15Å; C257-S261 PolarHBondContact O-N 3.41Å
262K81.2Confident77.4Confident123 Ų12365.2 Ų65.254%0.53538%0.378SS..  trans-68.3138.9174.5-72.1-179.5-175.71780111.7K256 C257 C260 F264K256-K262 CarbonylContact C-O 3.55Å; K256-K262 WeakPolarHBondContact CA-O 3.31Å; C257-K262 PolarHBondContact N-O 3.18Å; C260-K262 PolarHBondContact O-N 3.23Å; K262-F264 HydrophobicContact CB-CE2 3.68Å; K262-F264 HydrophobicContact CB-CZ 3.92Å; K262-F264 HydrophobicContact CD-CZ 4.45Å
263V81.8Confident78.6Confident90 Ų9063.7 Ų63.755%0.54536%0.358SS..EExtended strand (participates in β ladder)trans-103.3136.7179-177.10000109.8Y255 K256Y255-V263 CarbonylContact O-C 3.23Å; Y255-V263 WeakPolarHBondContact O-CA 3.44Å; K256-V263 HydrophobicContact CB-CG2 4.43Å; K256-V263 HydrophobicContact CG-CG2 4.26Å
264F81.9Confident79.5Confident49 Ų4962.8 Ų62.822%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-122.6148.7179.2-61.2-89.2000109.9S254 Y255 C257 K262 T266 L270 H273S254-F264 CarbonylContact C-O 3.58Å; S254-F264 WeakPolarHBondContact CA-O 3.4Å; Y255-F264 PolarHBondContact N-O 2.72Å; Y255-F264 WeakPolarHBondContact O-CD2 3.25Å; Y255-F264 PolarHBondContact O-N 3.21Å; C257-F264 HydrophobicContact CB-CE2 4.29Å; K262-F264 HydrophobicContact CB-CE2 3.68Å; K262-F264 HydrophobicContact CB-CZ 3.92Å; K262-F264 HydrophobicContact CD-CZ 4.45Å; F264-T266 VanDerWaalsContact C-N 3.34Å; F264-L270 HydrophobicContact CB-CB 4.3Å; F264-L270 HydrophobicContact CD2-CB 3.98Å; F264-L270 HydrophobicContact CD2-CD1 3.87Å; F264-L270 HydrophobicContact CE2-CD1 4.07Å; F264-L270 HydrophobicContact CG-CB 4.27Å; F264-H273 HydrophobicContact CE1-CB 3.74Å; F264-H273 HydrophobicContact CE2-CB 3.9Å; F264-H273 AromaticContact CE2-CD2 3.36Å; F264-H273 WeakPolarHBondContact CE2-CD2 3.43Å; F264-H273 AromaticContact CE2-CG 3.61Å; F264-H273 HydrophobicContact CZ-CB 3.36Å; F264-H273 AromaticContact CZ-CD2 3.46Å; F264-H273 VanDerWaalsContact CZ-CD2 3.46Å; F264-H273 WeakPolarHBondContact CZ-CD2 3.4Å; F264-H273 AromaticContact CZ-CG 3.18Å; F264-H273 AromaticContact CZ-ND1 3.77Å
265S81.6Confident79.5Confident101 Ų10166.9 Ų66.971%0.70635%0.352SS*.SBendtrans-81.7-11.217649.70000113.8
266T81.1Confident79.4Confident68 Ų6868.8 Ų68.842%0.41736%0.359SS..SBendtrans-136.8148.6-176.763.10000111.7Y255 F264 G269 L270Y255-T266 VanDerWaalsContact CD2-C 3.43Å; F264-T266 VanDerWaalsContact C-N 3.34Å; T266-G269 PolarHBondContact O-N 2.74Å; T266-G269 PolarHBondContact OG1-N 3.46Å; T266-G269 VanDerWaalsContact OG1-N 3.15Å; T266-L270 PolarHBondContact O-N 2.79Å
267P78.2Confident79.1Confident72 Ų7267.8 Ų67.847%0.46836%0.363SS..Hα-helixtrans-65.3-42.4179.123.8-29.6000110.8Y255 G269 L270 E271Y255-P267 HydrophobicContact CD1-CB 3.98Å; Y255-P267 HydrophobicContact CE1-CB 3.58Å; Y255-P267 HydrophobicContact CE1-CG 4.21Å; Y255-P267 HydrophobicContact CE2-CB 4.45Å; Y255-P267 HydrophobicContact CE2-CG 4.45Å; P267-G269 VanDerWaalsContact C-N 3.27Å; P267-G269 PolarHBondContact O-N 3.06Å; P267-L270 WeakPolarHBondContact O-CB 3.44Å; P267-L270 PolarHBondContact O-N 3.22Å; P267-L270 VanDerWaalsContact O-N 3.08Å; P267-E271 WeakPolarHBondContact O-CB 3.15Å; P267-E271 PolarHBondContact O-N 3.27Å
268H79.8Confident78.9Confident121 Ų12170.7 Ų70.756%0.5638%0.376SS*.Hα-helixtrans-59.4-38.1175-173.660.5000111.9L270 E271 V272H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 2.93Å; H268-E271 IonicContact ND1-OE2 3.2Å; H268-E271 PolarHBondContact ND1-OE2 2.92Å; H268-E271 PolarHBondContact O-N 2.92Å; H268-V272 WeakPolarHBondContact CE1-CG2 3.41Å; H268-V272 WeakPolarHBondContact O-CB 3.31Å; H268-V272 WeakPolarHBondContact O-CG2 3.22Å; H268-V272 PolarHBondContact O-N 3.28Å
269G80.7Confident78.3Confident21 Ų2169 Ų6922%0.21637%0.373CS..Hα-helixtrans-60.7-40.817400000113.1T266 P267 H273T266-G269 PolarHBondContact O-N 2.74Å; T266-G269 PolarHBondContact OG1-N 3.46Å; T266-G269 VanDerWaalsContact OG1-N 3.15Å; P267-G269 VanDerWaalsContact C-N 3.27Å; P267-G269 PolarHBondContact O-N 3.06Å; G269-H273 VanDerWaalsContact O-CB 3.24Å; G269-H273 WeakPolarHBondContact O-CB 3.48Å; G269-H273 PolarHBondContact O-N 3.35Å
270L80.8Confident77.6Confident10 Ų1065.9 Ų65.95%0.05238%0.375CS..Hα-helixtrans-68.9-51174.717261000112C257 F264 T266 P267 H268 V272 H273 V274C257-L270 HydrophobicContact CB-CD1 3.53Å; F264-L270 HydrophobicContact CB-CB 4.3Å; F264-L270 HydrophobicContact CD2-CB 3.98Å; F264-L270 HydrophobicContact CD2-CD1 3.87Å; F264-L270 HydrophobicContact CE2-CD1 4.07Å; F264-L270 HydrophobicContact CG-CB 4.27Å; T266-L270 PolarHBondContact O-N 2.79Å; P267-L270 WeakPolarHBondContact O-CB 3.44Å; P267-L270 PolarHBondContact O-N 3.22Å; P267-L270 VanDerWaalsContact O-N 3.08Å; H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 2.93Å; L270-V272 VanDerWaalsContact C-N 3.33Å; L270-V272 PolarHBondContact O-N 3.12Å; L270-H273 CarbonylContact O-C 3.6Å; L270-H273 WeakPolarHBondContact O-CA 3.26Å; L270-H273 WeakPolarHBondContact O-CB 3.24Å; L270-H273 PolarHBondContact O-N 3.06Å; L270-H273 VanDerWaalsContact O-N 3.07Å; L270-V274 HydrophobicContact CD1-CG2 3.87Å; L270-V274 HydrophobicContact CG-CG2 4.43Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.41Å
271E77.1Confident76.9Confident75 Ų7566.5 Ų66.535%0.3538%0.378SS..Hα-helixtrans-53.2-51.9179.1-177.7-137.2146.100110.8L243 P267 H268 H273 V274 R275L243-E271 HydrophobicContact CD2-CB 4.22Å; L243-E271 HydrophobicContact CD2-CG 4.19Å; P267-E271 WeakPolarHBondContact O-CB 3.15Å; P267-E271 PolarHBondContact O-N 3.27Å; H268-E271 IonicContact ND1-OE2 3.2Å; H268-E271 PolarHBondContact ND1-OE2 2.92Å; H268-E271 PolarHBondContact O-N 2.92Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.03Å; E271-V274 PolarHBondContact O-N 3.49Å; E271-R275 WeakPolarHBondContact O-CB 3.23Å; E271-R275 PolarHBondContact O-N 2.91Å
272V77.5Confident76.5Confident22 Ų2268.6 Ų68.613%0.13338%0.375CS..Hα-helixtrans-62.4-37.6177.11680000112.1H268 L270 R276H268-V272 WeakPolarHBondContact CE1-CG2 3.41Å; H268-V272 WeakPolarHBondContact O-CB 3.31Å; H268-V272 WeakPolarHBondContact O-CG2 3.22Å; H268-V272 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact C-N 3.33Å; L270-V272 PolarHBondContact O-N 3.12Å; V272-R276 HydrophobicContact CG1-CG 4.46Å; V272-R276 VanDerWaalsContact O-CB 3.29Å; V272-R276 WeakPolarHBondContact O-CB 3.47Å; V272-R276 WeakPolarHBondContact O-CG 3.15Å; V272-R276 PolarHBondContact O-N 3Å
273H81.1Confident76.3Confident18 Ų1866 Ų668%0.08337%0.371CS..Hα-helixtrans-64.9-47.3173.1159.166.6000112C257 C260 F264 G269 L270 E271 R275 R276 S277 H278C257-H273 WeakPolarHBondContact CB-NE2 3.48Å; C257-H273 PolarHBondContact SG-NE2 3.27Å; C260-H273 PolarHBondContact SG-CE1 3.11Å; C260-H273 PolarHBondContact SG-NE2 3.31Å; F264-H273 HydrophobicContact CE1-CB 3.74Å; F264-H273 HydrophobicContact CE2-CB 3.9Å; F264-H273 AromaticContact CE2-CD2 3.36Å; F264-H273 WeakPolarHBondContact CE2-CD2 3.43Å; F264-H273 AromaticContact CE2-CG 3.61Å; F264-H273 HydrophobicContact CZ-CB 3.36Å; F264-H273 AromaticContact CZ-CD2 3.46Å; F264-H273 VanDerWaalsContact CZ-CD2 3.46Å; F264-H273 WeakPolarHBondContact CZ-CD2 3.4Å; F264-H273 AromaticContact CZ-CG 3.18Å; F264-H273 AromaticContact CZ-ND1 3.77Å; G269-H273 VanDerWaalsContact O-CB 3.24Å; G269-H273 WeakPolarHBondContact O-CB 3.48Å; G269-H273 PolarHBondContact O-N 3.35Å; L270-H273 CarbonylContact O-C 3.6Å; L270-H273 WeakPolarHBondContact O-CA 3.26Å; L270-H273 WeakPolarHBondContact O-CB 3.24Å; L270-H273 PolarHBondContact O-N 3.06Å; L270-H273 VanDerWaalsContact O-N 3.07Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.03Å; H273-R275 VanDerWaalsContact C-N 3.34Å; H273-R275 PolarHBondContact O-N 2.96Å; H273-R276 PolarHBondContact O-N 2.79Å; H273-S277 PolarHBondContact CE1-OG 3.18Å; H273-S277 VanDerWaalsContact CE1-OG 3.32Å; H273-S277 PolarHBondContact ND1-OG 3.27Å; H273-S277 WeakPolarHBondContact O-CB 3.41Å; H273-S277 PolarHBondContact O-N 2.76Å; H273-S277 PolarHBondContact O-OG 2.86Å; H273-H278 AromaticContact CE1-NE2 3.78Å; H273-H278 AromaticContact NE2-CD2 3.82Å; H273-H278 AromaticContact NE2-NE2 3.5Å; H273-H278 PolarHBondContact NE2-NE2 2.82Å
274V78.6Confident76.2Confident30 Ų3065.1 Ų65.118%0.18236%0.36CS..Hα-helixtrans-60.5-46.2178.2172.40000110.2L270 E271 R276 S277 H278 S279L270-V274 HydrophobicContact CD1-CG2 3.87Å; L270-V274 HydrophobicContact CG-CG2 4.43Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.41Å; E271-V274 PolarHBondContact O-N 3.49Å; V274-R276 PolarHBondContact O-N 3.13Å; V274-S277 PolarHBondContact O-N 2.85Å; V274-H278 HydrophobicContact CG1-CB 4.46Å; V274-H278 WeakPolarHBondContact O-CA 3.24Å; V274-H278 WeakPolarHBondContact O-CB 3.48Å; V274-H278 PolarHBondContact O-N 2.89Å; V274-S279 PolarHBondContact O-N 2.87Å; V274-S279 VanDerWaalsContact O-N 3.1Å
275R73.8Confident76.2Confident125 Ų12565.3 Ų65.347%0.47237%0.37SS..Hα-helixtrans-58.2-47.9176.7-167173.7-178.9170.90112.5E271 H273 S279 T281E271-R275 WeakPolarHBondContact O-CB 3.23Å; E271-R275 PolarHBondContact O-N 2.91Å; H273-R275 VanDerWaalsContact C-N 3.34Å; H273-R275 PolarHBondContact O-N 2.96Å; R275-S279 WeakPolarHBondContact CA-OG 3.21Å; R275-S279 PolarHBondContact O-OG 3.36Å; R275-T281 WeakPolarHBondContact CG-OG1 3.49Å
276R74.6Confident76.4Confident87 Ų8760.6 Ų60.633%0.32834%0.338SS..Hα-helixtrans-77.2-27.9-177.5-70.1172.6178.2152.211.7114.8V272 H273 V274 G294 H295V272-R276 HydrophobicContact CG1-CG 4.46Å; V272-R276 VanDerWaalsContact O-CB 3.29Å; V272-R276 WeakPolarHBondContact O-CB 3.47Å; V272-R276 WeakPolarHBondContact O-CG 3.15Å; V272-R276 PolarHBondContact O-N 3Å; H273-R276 PolarHBondContact O-N 2.79Å; V274-R276 PolarHBondContact O-N 3.13Å; R276-G294 VanDerWaalsContact CZ-O 3.31Å; R276-G294 PolarHBondContact NE-O 2.72Å; R276-G294 PolarHBondContact NH2-O 3.06Å; R276-H295 PolarHBondContact NH1-CE1 2.78Å; R276-H295 PolarHBondContact NH1-ND1 3.44Å; R276-H295 PolarHBondContact NH1-NE2 3.13Å; R276-H295 VanDerWaalsContact NH1-NE2 3.1Å
277S72.8Confident76.4Confident66 Ų6665.7 Ų65.746%0.46236%0.357SS..Hα-helixtrans-111.7-22.6-166.7-36.90000114H273 V274H273-S277 PolarHBondContact CE1-OG 3.18Å; H273-S277 VanDerWaalsContact CE1-OG 3.32Å; H273-S277 PolarHBondContact ND1-OG 3.27Å; H273-S277 WeakPolarHBondContact O-CB 3.41Å; H273-S277 PolarHBondContact O-N 2.76Å; H273-S277 PolarHBondContact O-OG 2.86Å; V274-S277 PolarHBondContact O-N 2.85Å
278H76.1Confident76.6Confident63 Ų6369.2 Ų69.229%0.29237%0.368SS..THydrogen-bonded Turntrans-125.3-34.2-173.7-63.2-57.8000113.7C257 K259 H273 V274C257-H278 PolarHBondContact SG-NE2 3.31Å; K259-H278 HydrophobicContact CD-CB 3.95Å; H273-H278 AromaticContact CE1-NE2 3.78Å; H273-H278 AromaticContact NE2-CD2 3.82Å; H273-H278 AromaticContact NE2-NE2 3.5Å; H273-H278 PolarHBondContact NE2-NE2 2.82Å; V274-H278 HydrophobicContact CG1-CB 4.46Å; V274-H278 WeakPolarHBondContact O-CA 3.24Å; V274-H278 WeakPolarHBondContact O-CB 3.48Å; V274-H278 PolarHBondContact O-N 2.89Å
279S65.9Low76.8Confident66 Ų6665.6 Ų65.646%0.46236%0.357SS..SBendtrans-88.1-3.1179.280.40000114.8V274 R275 T281V274-S279 PolarHBondContact O-N 2.87Å; V274-S279 VanDerWaalsContact O-N 3.1Å; R275-S279 WeakPolarHBondContact CA-OG 3.21Å; R275-S279 PolarHBondContact O-OG 3.36Å; S279-T281 PolarHBondContact O-N 3.2Å; S279-T281 PolarHBondContact OG-OG1 2.88Å
280G64.2Low76.7Confident56 Ų5667.4 Ų67.458%0.57738%0.375SS*.  trans68.6-12.8-17800000115.1R282G280-R282 PolarHBondContact O-N 3.48Å
281T65.9Low76.8Confident65 Ų6572.5 Ų72.540%0.39940%0.397SS..  trans-68.7100.9-179.6650000110.7R275 S279 P283R275-T281 WeakPolarHBondContact CG-OG1 3.49Å; S279-T281 PolarHBondContact O-N 3.2Å; S279-T281 PolarHBondContact OG-OG1 2.88Å; T281-P283 WeakPolarHBondContact O-CD 3.31Å
282R71.7Confident77Confident112 Ų11271.8 Ų71.842%0.42340%0.397SS..  trans-106.393.5176.8-73.7168.969.5111.4-2.7106.9G280 F284 T292 F293G280-R282 PolarHBondContact O-N 3.48Å; R282-F284 PolarHBondContact O-N 2.86Å; R282-F284 VanDerWaalsContact O-N 3.13Å; R282-T292 WeakPolarHBondContact CB-OG1 3.37Å; R282-T292 PolarHBondContact NE-O 3.23Å; R282-T292 PolarHBondContact NH2-O 3.22Å; R282-T292 WeakPolarHBondContact O-CB 3.37Å; R282-F293 CarbonylContact C-O 3.38Å; R282-F293 VanDerWaalsContact C-O 3.23Å; R282-F293 WeakPolarHBondContact CA-O 3.3Å
283P76.4Confident77.2Confident69 Ų6972.2 Ų72.245%0.44840%0.398SS..  trans-67.2-21.4-161-21.634000114.4T281 A285T281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-A285 PolarHBondContact O-N 3.47Å
284F79.6Confident77.1Confident72 Ų7271.9 Ų71.932%0.31640%0.399SS..EExtended strand (participates in β ladder)trans-98.490.9-170.3-56.9-78.7000109.7R282 T292 F293 G294 A296 L299R282-F284 PolarHBondContact O-N 2.86Å; R282-F284 VanDerWaalsContact O-N 3.13Å; F284-T292 CarbonylContact O-C 3.47Å; F284-T292 WeakPolarHBondContact O-CA 3.31Å; F284-F293 HydrophobicContact CB-CB 4.22Å; F284-F293 PolarHBondContact N-O 3.15Å; F284-F293 WeakPolarHBondContact O-CD2 3.35Å; F284-F293 PolarHBondContact O-N 3.15Å; F284-G294 WeakPolarHBondContact CE2-O 3.46Å; F284-A296 HydrophobicContact CD1-CB 3.91Å; F284-A296 HydrophobicContact CE1-CB 3.69Å; F284-A296 HydrophobicContact CG-CB 4.49Å; F284-A296 HydrophobicContact CZ-CB 4.09Å; F284-L299 HydrophobicContact CB-CB 3.89Å; F284-L299 HydrophobicContact CB-CD2 3.83Å; F284-L299 HydrophobicContact CB-CG 4.47Å
285A82.4Confident77.1Confident52 Ų5274.8 Ų74.843%0.4341%0.41SS..EExtended strand (participates in β ladder)trans-83.8145177.900000111.9P283 T292 L299P283-A285 PolarHBondContact O-N 3.47Å; A285-T292 HydrophobicContact CB-CG2 4.17Å; A285-L299 WeakPolarHBondContact O-CD1 3.26Å; A285-L299 VanDerWaalsContact O-CD2 3.3Å; A285-L299 WeakPolarHBondContact O-CD2 3.32Å
286C85.7Confident77.4Confident3 Ų371.2 Ų71.22%0.0241%0.408CS..  trans-92.5110.2169-1750000110.1M288 C289 G290 K291 F293 L299 H306C286-M288 PolarHBondContact O-N 2.87Å; C286-C289 PolarHBondContact O-N 3.5Å; C286-C289 VanDerWaalsContact O-N 3.13Å; C286-G290 WeakPolarHBondContact O-CA 3.4Å; C286-G290 PolarHBondContact O-N 2.85Å; C286-K291 WeakPolarHBondContact CB-O 3.31Å; C286-K291 PolarHBondContact N-O 3.26Å; C286-F293 HydrophobicContact CB-CE2 4.3Å; C286-L299 HydrophobicContact CB-CD1 3.57Å; C286-H306 PolarHBondContact SG-NE2 3.04Å
287E82.7Confident77.9Confident175 Ų17571.8 Ų71.882%0.81842%0.42SS*.THydrogen-bonded Turntrans-51-39178-67.8145-139.100112.8C289E287-C289 VanDerWaalsContact C-N 3.34Å; E287-C289 PolarHBondContact O-N 2.93Å
288M80.8Confident78.4Confident145 Ų14571 Ų7171%0.71442%0.415SS*.THydrogen-bonded Turntrans-72.3-16.3-177.1-61.8-57.5-65.400115.2C286C286-M288 PolarHBondContact O-N 2.87Å
289C84.4Confident78.8Confident46 Ų4669 Ų6931%0.31141%0.407SS..THydrogen-bonded Turntrans-15310.1-176.369.80000116.2C286 E287 K291 H302 H306C286-C289 PolarHBondContact O-N 3.5Å; C286-C289 VanDerWaalsContact O-N 3.13Å; E287-C289 VanDerWaalsContact C-N 3.34Å; E287-C289 PolarHBondContact O-N 2.93Å; C289-K291 PolarHBondContact O-N 3.19Å; C289-H302 PolarHBondContact SG-NE2 3.22Å; C289-H306 WeakPolarHBondContact CB-CE1 3.45Å; C289-H306 WeakPolarHBondContact CB-NE2 3.4Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 3.41Å
290G79.6Confident79.6Confident58 Ų5872.3 Ų72.360%0.59841%0.414SS*.  trans66.3-1-179.900000115.8C286 T292C286-G290 WeakPolarHBondContact O-CA 3.4Å; C286-G290 PolarHBondContact O-N 2.85Å; G290-T292 PolarHBondContact O-N 2.95Å
291K81.4Confident80.3Confident118 Ų11874.3 Ų74.351%0.51341%0.409SS..  trans-70124.5-177.4-70.9177.4-174.5169.40110.6C286 C289 F293C286-K291 WeakPolarHBondContact CB-O 3.31Å; C286-K291 PolarHBondContact N-O 3.26Å; C289-K291 PolarHBondContact O-N 3.19Å; K291-F293 HydrophobicContact CB-CE2 3.83Å; K291-F293 HydrophobicContact CB-CZ 3.99Å; K291-F293 WeakPolarHBondContact O-CD2 3.46Å; K291-F293 WeakPolarHBondContact O-CE2 3.47Å
292T81.9Confident81.2Confident59 Ų5972.1 Ų72.136%0.36239%0.394SS..EExtended strand (participates in β ladder)trans-94.3149.4179.259.80000111.9R282 F284 A285 G290R282-T292 WeakPolarHBondContact CB-OG1 3.37Å; R282-T292 PolarHBondContact NE-O 3.23Å; R282-T292 PolarHBondContact NH2-O 3.22Å; R282-T292 WeakPolarHBondContact O-CB 3.37Å; F284-T292 CarbonylContact O-C 3.47Å; F284-T292 WeakPolarHBondContact O-CA 3.31Å; A285-T292 HydrophobicContact CB-CG2 4.17Å; G290-T292 PolarHBondContact O-N 2.95Å
293F81.4Confident81.7Confident32 Ų3272.1 Ų72.114%0.1440%0.397CS..EExtended strand (participates in β ladder)trans-132.5150.9-178.5-62-87.1000111.3R282 F284 C286 K291 L299 H302R282-F293 CarbonylContact C-O 3.38Å; R282-F293 VanDerWaalsContact C-O 3.23Å; R282-F293 WeakPolarHBondContact CA-O 3.3Å; F284-F293 HydrophobicContact CB-CB 4.22Å; F284-F293 PolarHBondContact N-O 3.15Å; F284-F293 WeakPolarHBondContact O-CD2 3.35Å; F284-F293 PolarHBondContact O-N 3.15Å; C286-F293 HydrophobicContact CB-CE2 4.3Å; K291-F293 HydrophobicContact CB-CE2 3.83Å; K291-F293 HydrophobicContact CB-CZ 3.99Å; K291-F293 WeakPolarHBondContact O-CD2 3.46Å; K291-F293 WeakPolarHBondContact O-CE2 3.47Å; F293-L299 HydrophobicContact CB-CB 4.28Å; F293-L299 HydrophobicContact CD2-CB 3.98Å; F293-L299 HydrophobicContact CD2-CD1 3.91Å; F293-L299 HydrophobicContact CE2-CD1 4.17Å; F293-L299 HydrophobicContact CG-CB 4.31Å; F293-H302 HydrophobicContact CE1-CB 3.97Å; F293-H302 HydrophobicContact CE2-CB 3.79Å; F293-H302 AromaticContact CE2-CD2 3.37Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.59Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.4Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.47Å; F293-H302 AromaticContact CZ-CG 3.2Å; F293-H302 AromaticContact CZ-ND1 3.76Å
294G78.8Confident81.8Confident11 Ų1170.2 Ų70.211%0.11339%0.388CS..SBendtrans-77.2-21.2177.400000114R276 F284R276-G294 VanDerWaalsContact CZ-O 3.31Å; R276-G294 PolarHBondContact NE-O 2.72Å; R276-G294 PolarHBondContact NH2-O 3.06Å; F284-G294 WeakPolarHBondContact CE2-O 3.46Å
295H78.9Confident81.8Confident91 Ų9170.8 Ų70.842%0.42140%0.396SS..SBendtrans-132.6144.8-176.2-60-120.3000110.8R276 V297 S298 L299R276-H295 PolarHBondContact NH1-CE1 2.78Å; R276-H295 PolarHBondContact NH1-ND1 3.44Å; R276-H295 PolarHBondContact NH1-NE2 3.13Å; R276-H295 VanDerWaalsContact NH1-NE2 3.1Å; H295-V297 PolarHBondContact O-N 2.82Å; H295-S298 WeakPolarHBondContact O-CB 3.41Å; H295-S298 PolarHBondContact O-N 3.18Å; H295-S298 VanDerWaalsContact O-N 3.13Å; H295-L299 PolarHBondContact O-N 3.34Å
296A81.3Confident81.6Confident50 Ų5072.6 Ų72.641%0.41340%0.396SS..Hα-helixtrans-54.7-49.1171.900000112.1F284 S298 L299 E300F284-A296 HydrophobicContact CD1-CB 3.91Å; F284-A296 HydrophobicContact CE1-CB 3.69Å; F284-A296 HydrophobicContact CG-CB 4.49Å; F284-A296 HydrophobicContact CZ-CB 4.09Å; A296-S298 PolarHBondContact O-N 2.53Å; A296-S298 VanDerWaalsContact O-N 3.14Å; A296-L299 CarbonylContact O-C 3.58Å; A296-L299 WeakPolarHBondContact O-CA 3.44Å; A296-L299 WeakPolarHBondContact O-CB 3.42Å; A296-L299 PolarHBondContact O-N 3.11Å; A296-E300 PolarHBondContact O-N 2.91Å
297V83.4Confident81Confident98 Ų9874.6 Ų74.659%0.59441%0.41SS*.Hα-helixtrans-57-32.3177.8-175.20000112.5H295 Q301H295-V297 PolarHBondContact O-N 2.82Å; V297-Q301 VanDerWaalsContact O-CB 3.25Å; V297-Q301 WeakPolarHBondContact O-CB 2.94Å; V297-Q301 PolarHBondContact O-N 3.38Å
298S83.4Confident80.1Confident51 Ų5174.4 Ų74.436%0.35741%0.409SS..Hα-helixtrans-74.5-34.1175.4-58.50000112.8H295 A296 H302H295-S298 WeakPolarHBondContact O-CB 3.41Å; H295-S298 PolarHBondContact O-N 3.18Å; H295-S298 VanDerWaalsContact O-N 3.13Å; A296-S298 PolarHBondContact O-N 2.53Å; A296-S298 VanDerWaalsContact O-N 3.14Å; S298-H302 VanDerWaalsContact O-CB 3.25Å; S298-H302 WeakPolarHBondContact O-CB 3.42Å; S298-H302 PolarHBondContact O-N 3.25Å
299L84.3Confident79.3Confident21 Ų2174 Ų7411%0.1141%0.406CS..Hα-helixtrans-68.9-44.1171.9169.662.4000110.8F284 A285 C286 F293 H295 A296 H302 K303F284-L299 HydrophobicContact CB-CB 3.89Å; F284-L299 HydrophobicContact CB-CD2 3.83Å; F284-L299 HydrophobicContact CB-CG 4.47Å; A285-L299 WeakPolarHBondContact O-CD1 3.26Å; A285-L299 VanDerWaalsContact O-CD2 3.3Å; A285-L299 WeakPolarHBondContact O-CD2 3.32Å; C286-L299 HydrophobicContact CB-CD1 3.57Å; F293-L299 HydrophobicContact CB-CB 4.28Å; F293-L299 HydrophobicContact CD2-CB 3.98Å; F293-L299 HydrophobicContact CD2-CD1 3.91Å; F293-L299 HydrophobicContact CE2-CD1 4.17Å; F293-L299 HydrophobicContact CG-CB 4.31Å; H295-L299 PolarHBondContact O-N 3.34Å; A296-L299 CarbonylContact O-C 3.58Å; A296-L299 WeakPolarHBondContact O-CA 3.44Å; A296-L299 WeakPolarHBondContact O-CB 3.42Å; A296-L299 PolarHBondContact O-N 3.11Å; L299-H302 CarbonylContact O-C 3.3Å; L299-H302 WeakPolarHBondContact O-CA 3.24Å; L299-H302 VanDerWaalsContact O-CB 3.31Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.33Å; L299-K303 PolarHBondContact O-N 3.01Å
300E82.4Confident78.4Confident134 Ų13478 Ų7863%0.62641%0.414SS*.Hα-helixtrans-60.5-50.6177-175.1179.9-165.500111.6A296 H302 K303 A304A296-E300 PolarHBondContact O-N 2.91Å; E300-H302 PolarHBondContact O-N 2.97Å; E300-H302 VanDerWaalsContact O-N 3.15Å; E300-K303 WeakPolarHBondContact O-CB 3.3Å; E300-K303 PolarHBondContact O-N 3.42Å; E300-A304 PolarHBondContact O-N 3.19Å
301Q80.8Confident78.2Confident98 Ų9878.8 Ų78.846%0.45841%0.411SS..Hα-helixtrans-58.7-27.1170.6-178.7167.6117.200112.6V297 R323V297-Q301 VanDerWaalsContact O-CB 3.25Å; V297-Q301 WeakPolarHBondContact O-CB 2.94Å; V297-Q301 PolarHBondContact O-N 3.38Å; Q301-R323 HydrophobicContact CG-CG 4.35Å
302H83.4Confident78.2Confident20 Ų2076.7 Ų76.79%0.09340%0.402CS..Hα-helixtrans-79.3-30.1173.8-177.860.8000113.5C289 F293 S298 L299 E300 A304 V305 H306C289-H302 PolarHBondContact SG-NE2 3.22Å; F293-H302 HydrophobicContact CE1-CB 3.97Å; F293-H302 HydrophobicContact CE2-CB 3.79Å; F293-H302 AromaticContact CE2-CD2 3.37Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.59Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.4Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.47Å; F293-H302 AromaticContact CZ-CG 3.2Å; F293-H302 AromaticContact CZ-ND1 3.76Å; S298-H302 VanDerWaalsContact O-CB 3.25Å; S298-H302 WeakPolarHBondContact O-CB 3.42Å; S298-H302 PolarHBondContact O-N 3.25Å; L299-H302 CarbonylContact O-C 3.3Å; L299-H302 WeakPolarHBondContact O-CA 3.24Å; L299-H302 VanDerWaalsContact O-CB 3.31Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.33Å; E300-H302 PolarHBondContact O-N 2.97Å; E300-H302 VanDerWaalsContact O-N 3.15Å; H302-A304 PolarHBondContact O-N 2.72Å; H302-V305 WeakPolarHBondContact O-CA 3.41Å; H302-V305 WeakPolarHBondContact O-CB 3.35Å; H302-V305 WeakPolarHBondContact O-CG2 3.45Å; H302-V305 PolarHBondContact O-N 2.75Å; H302-H306 AromaticContact CD2-NE2 3.48Å; H302-H306 PolarHBondContact CD2-NE2 2.73Å; H302-H306 AromaticContact CE1-NE2 3.73Å; H302-H306 AromaticContact NE2-NE2 2.8Å; H302-H306 PolarHBondContact NE2-NE2 2.82Å
303K82.6Confident78.3Confident111 Ų11177.9 Ų77.948%0.48341%0.406SS..Hα-helixtrans-58.1-35.3172.3-70.3-175.7176.3-169.90110.8L299 E300 V305 H306 S307L299-K303 PolarHBondContact O-N 3.01Å; E300-K303 WeakPolarHBondContact O-CB 3.3Å; E300-K303 PolarHBondContact O-N 3.42Å; K303-V305 PolarHBondContact O-N 3.47Å; K303-V305 VanDerWaalsContact O-N 3.07Å; K303-H306 PolarHBondContact O-N 3.08Å; K303-S307 PolarHBondContact O-N 3.49Å
304A78.4Confident78.7Confident30 Ų3076.4 Ų76.425%0.24840%0.4CS..Hα-helixtrans-61.4-11.9170.700000114.4E300 H302 S307 K322E300-A304 PolarHBondContact O-N 3.19Å; H302-A304 PolarHBondContact O-N 2.72Å; A304-S307 VanDerWaalsContact O-O 3.07Å; A304-K322 VanDerWaalsContact O-CD 3.25Å; A304-K322 WeakPolarHBondContact O-CD 3.49Å; A304-K322 WeakPolarHBondContact O-CE 3.45Å; A304-K322 PolarHBondContact O-NZ 3.37Å
305V79Confident79Confident83 Ų8385.3 Ų85.350%0.50344%0.435SS..Hα-helixtrans-73.1-39.9169.3179.70000111.1H302 K303 K322H302-V305 WeakPolarHBondContact O-CA 3.41Å; H302-V305 WeakPolarHBondContact O-CB 3.35Å; H302-V305 WeakPolarHBondContact O-CG2 3.45Å; H302-V305 PolarHBondContact O-N 2.75Å; K303-V305 PolarHBondContact O-N 3.47Å; K303-V305 VanDerWaalsContact O-N 3.07Å; V305-K322 PolarHBondContact O-NZ 3.47Å
306H79.9Confident79.5Confident90 Ų9086.4 Ų86.442%0.41744%0.443SS..Hα-helixtrans-79.1-35.9179.1-62.3-66000112.6C286 C289 H302 K303C286-H306 PolarHBondContact SG-NE2 3.04Å; C289-H306 WeakPolarHBondContact CB-CE1 3.45Å; C289-H306 WeakPolarHBondContact CB-NE2 3.4Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 3.41Å; H302-H306 AromaticContact CD2-NE2 3.48Å; H302-H306 PolarHBondContact CD2-NE2 2.73Å; H302-H306 AromaticContact CE1-NE2 3.73Å; H302-H306 AromaticContact NE2-NE2 2.8Å; H302-H306 PolarHBondContact NE2-NE2 2.82Å; K303-H306 PolarHBondContact O-N 3.08Å
307S72Confident79.8Confident46 Ų4686 Ų8632%0.32244%0.436SS..SBendtrans-67.3139.2167.7-170.30000110.5K303 A304 E309 K322K303-S307 PolarHBondContact O-N 3.49Å; A304-S307 VanDerWaalsContact O-O 3.07Å; S307-E309 PolarHBondContact O-N 2.83Å; S307-E309 WeakPolarHBondContact OG-CB 3.2Å; S307-E309 PolarHBondContact OG-N 3.48Å; S307-K322 PolarHBondContact O-NZ 2.8Å
308Q64.3Low79.8Confident171 Ų17184.1 Ų84.180%0.79944%0.437SS*.  trans-73.4-12.2169.8-162.281.8-37.300111.3R310Q308-R310 WeakPolarHBondContact O-CG 3.48Å; Q308-R310 PolarHBondContact O-N 3.28Å
309E64.3Low80Confident136 Ų13687.4 Ų87.464%0.63645%0.445SS*.  trans-59.9129.3-178.2-167.9175.3-167.200112.4S307S307-E309 PolarHBondContact O-N 2.83Å; S307-E309 WeakPolarHBondContact OG-CB 3.2Å; S307-E309 PolarHBondContact OG-N 3.48Å
310R65.4Low80Confident129 Ų12988.6 Ų88.649%0.48746%0.455SS..  trans-133.481.1-178.2-62.9170.393.1103.40.5107.2Q308 F312 S320 F321 K322Q308-R310 WeakPolarHBondContact O-CG 3.48Å; Q308-R310 PolarHBondContact O-N 3.28Å; R310-F312 PolarHBondContact O-N 2.98Å; R310-F312 VanDerWaalsContact O-N 3.17Å; R310-S320 VanDerWaalsContact CB-CB 3.4Å; R310-S320 PolarHBondContact NE-O 3.07Å; R310-S320 PolarHBondContact NH2-O 2.95Å; R310-S320 WeakPolarHBondContact O-CB 3.41Å; R310-F321 CarbonylContact C-O 3.51Å; R310-F321 WeakPolarHBondContact CA-O 3.49Å; R310-K322 HydrophobicContact CG-CG 3.97Å
311S74.8Confident80.1Confident76 Ų7684.2 Ų84.253%0.53143%0.434SS..  trans-71.4-3.3-168.544.50000115.9F321S311-F321 PolarHBondContact N-O 3.2Å
312F80.7Confident80.2Confident73 Ų7382.2 Ų82.232%0.3242%0.424SS..EExtended strand (participates in β ladder)trans-120.892.3-177.3-59-76.7000111R310 S320 F321 L327R310-F312 PolarHBondContact O-N 2.98Å; R310-F312 VanDerWaalsContact O-N 3.17Å; F312-S320 CarbonylContact O-C 3.44Å; F312-S320 WeakPolarHBondContact O-CA 3.21Å; F312-F321 HydrophobicContact CB-CB 4.33Å; F312-F321 PolarHBondContact N-O 2.77Å; F312-F321 PolarHBondContact O-N 3.48Å; F312-L327 HydrophobicContact CB-CB 4.14Å; F312-L327 HydrophobicContact CB-CD2 3.9Å
313D85.6Confident80.2Confident85 Ų8586 Ų8646%0.45544%0.437SS..EExtended strand (participates in β ladder)trans-79.5148.8176.964.7-72.7000113.1L327D313-L327 WeakPolarHBondContact O-CD2 3.34Å
314C88.8Confident80.3Confident1 Ų183.6 Ų83.61%0.00743%0.434CS..  trans-95.6106.3167.4-179.60000109.9I316 C317 G318 K319 F321 L327 H334C314-I316 PolarHBondContact O-N 3.13Å; C314-C317 PolarHBondContact O-N 3.03Å; C314-C317 VanDerWaalsContact O-N 3.13Å; C314-C317 VanDerWaalsContact SG-SG 3.64Å; C314-G318 WeakPolarHBondContact O-CA 3.44Å; C314-G318 PolarHBondContact O-N 2.75Å; C314-K319 WeakPolarHBondContact CB-O 3.48Å; C314-K319 PolarHBondContact N-O 2.9Å; C314-F321 HydrophobicContact CB-CE2 4.26Å; C314-L327 HydrophobicContact CB-CD1 3.7Å; C314-H334 PolarHBondContact SG-NE2 3.46Å
315K86.1Confident80.7Confident197 Ų19785.3 Ų85.386%0.85745%0.445SS*.THydrogen-bonded Turntrans-54.1-19.8178.2-59-170.6178.3-171.70115.4
316I87.8Confident81.1Confident114 Ų11483 Ų8359%0.58543%0.431SS*.THydrogen-bonded Turntrans-89.5-29.8-177.3-55.5172.8000112.3C314 H334C314-I316 PolarHBondContact O-N 3.13Å; I316-H334 HydrophobicContact CD1-CB 3.54Å; I316-H334 HydrophobicContact CG2-CB 4.37Å; I316-H334 WeakPolarHBondContact CG2-ND1 3.08Å
317C88.7Confident81.5Confident41 Ų4179.9 Ų79.928%0.27742%0.417SS..THydrogen-bonded Turntrans-139.213.7-175.4700000115.3C314 K319 H330 H334C314-C317 PolarHBondContact O-N 3.03Å; C314-C317 VanDerWaalsContact O-N 3.13Å; C314-C317 VanDerWaalsContact SG-SG 3.64Å; C317-K319 PolarHBondContact O-N 3.1Å; C317-H330 PolarHBondContact SG-NE2 3.44Å; C317-H334 WeakPolarHBondContact CB-CE1 3.31Å; C317-H334 PolarHBondContact SG-CE1 2.9Å; C317-H334 PolarHBondContact SG-NE2 2.85Å
318G84Confident82.2Confident59 Ų5980.7 Ų80.761%0.60842%0.423SS*.  trans66-0.717800000115.9C314 S320C314-G318 WeakPolarHBondContact O-CA 3.44Å; C314-G318 PolarHBondContact O-N 2.75Å; G318-S320 PolarHBondContact O-N 2.91Å
319K85.9Confident83.3Confident120 Ų12075 Ų7552%0.52240%0.4SS..  trans-73.7120.5-174.8-69.2175.8-169.2165.70111.2C314 C317 F321C314-K319 WeakPolarHBondContact CB-O 3.48Å; C314-K319 PolarHBondContact N-O 2.9Å; C317-K319 PolarHBondContact O-N 3.1Å; K319-F321 HydrophobicContact CB-CE2 3.85Å; K319-F321 HydrophobicContact CB-CZ 4.14Å; K319-F321 VanDerWaalsContact O-CD2 3.26Å; K319-F321 WeakPolarHBondContact O-CD2 3.37Å; K319-F321 WeakPolarHBondContact O-CE2 3.4Å
320S85.6Confident84.5Confident47 Ų4769.4 Ų69.433%0.32937%0.374SS..EExtended strand (participates in β ladder)trans-91.8139.8177.7-34.30000112.7R310 F312 G318R310-S320 VanDerWaalsContact CB-CB 3.4Å; R310-S320 PolarHBondContact NE-O 3.07Å; R310-S320 PolarHBondContact NH2-O 2.95Å; R310-S320 WeakPolarHBondContact O-CB 3.41Å; F312-S320 CarbonylContact O-C 3.44Å; F312-S320 WeakPolarHBondContact O-CA 3.21Å; G318-S320 PolarHBondContact O-N 2.91Å
321F84.4Confident85.6Confident41 Ų4166.5 Ų66.518%0.1837%0.368CS..EExtended strand (participates in β ladder)trans-120151.8-177.4-64.3-91.3000111.3R310 S311 F312 C314 K319 R323 L327 H330R310-F321 CarbonylContact C-O 3.51Å; R310-F321 WeakPolarHBondContact CA-O 3.49Å; S311-F321 PolarHBondContact N-O 3.2Å; F312-F321 HydrophobicContact CB-CB 4.33Å; F312-F321 PolarHBondContact N-O 2.77Å; F312-F321 PolarHBondContact O-N 3.48Å; C314-F321 HydrophobicContact CB-CE2 4.26Å; K319-F321 HydrophobicContact CB-CE2 3.85Å; K319-F321 HydrophobicContact CB-CZ 4.14Å; K319-F321 VanDerWaalsContact O-CD2 3.26Å; K319-F321 WeakPolarHBondContact O-CD2 3.37Å; K319-F321 WeakPolarHBondContact O-CE2 3.4Å; F321-R323 VanDerWaalsContact C-N 3.32Å; F321-L327 HydrophobicContact CB-CB 4.32Å; F321-L327 HydrophobicContact CD2-CB 4.11Å; F321-L327 HydrophobicContact CD2-CD1 3.85Å; F321-L327 HydrophobicContact CE2-CD1 4.09Å; F321-L327 HydrophobicContact CG-CB 4.32Å; F321-H330 HydrophobicContact CE1-CB 4Å; F321-H330 HydrophobicContact CE2-CB 4.05Å; F321-H330 AromaticContact CE2-CD2 3.26Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.42Å; F321-H330 AromaticContact CE2-CG 3.68Å; F321-H330 AromaticContact CE2-NE2 3.96Å; F321-H330 HydrophobicContact CZ-CB 3.59Å; F321-H330 AromaticContact CZ-CD2 3.3Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.42Å; F321-H330 AromaticContact CZ-CG 3.25Å; F321-H330 AromaticContact CZ-ND1 3.84Å; F321-H330 AromaticContact CZ-NE2 3.9Å
322K83Confident86.3Confident56 Ų5664.8 Ų64.824%0.24335%0.352CS..SBendtrans-82.8-5.9178.7-64.7-171.3167.3-144.10113.6A304 V305 S307 R310A304-K322 VanDerWaalsContact O-CD 3.25Å; A304-K322 WeakPolarHBondContact O-CD 3.49Å; A304-K322 WeakPolarHBondContact O-CE 3.45Å; A304-K322 PolarHBondContact O-NZ 3.37Å; V305-K322 PolarHBondContact O-NZ 3.47Å; S307-K322 PolarHBondContact O-NZ 2.8Å; R310-K322 HydrophobicContact CG-CG 3.97Å
323R83.1Confident86.6Confident99 Ų9966 Ų6637%0.37436%0.361SS..SBendtrans-149.5138.3-179.2-52.4-174.2-62171.33.7111.3Q301 F321 S325 T326 L327Q301-R323 HydrophobicContact CG-CG 4.35Å; F321-R323 VanDerWaalsContact C-N 3.32Å; R323-S325 VanDerWaalsContact C-N 3.32Å; R323-S325 PolarHBondContact O-N 2.85Å; R323-T326 HydrophobicContact CB-CG2 4.5Å; R323-T326 PolarHBondContact O-N 3.34Å; R323-T326 VanDerWaalsContact O-N 3.08Å; R323-T326 PolarHBondContact O-OG1 2.67Å; R323-L327 PolarHBondContact O-N 3.46Å
324S85.2Confident86.6Confident61 Ų6165.5 Ų65.543%0.42736%0.356SS..Hα-helixtrans-52.1-48.3172.7175.90000111.9T326 L327 S328S324-T326 PolarHBondContact O-N 2.98Å; S324-T326 VanDerWaalsContact O-N 3.1Å; S324-L327 CarbonylContact O-C 3.59Å; S324-L327 WeakPolarHBondContact O-CA 3.43Å; S324-L327 WeakPolarHBondContact O-CB 3.43Å; S324-L327 PolarHBondContact O-N 3.32Å; S324-S328 PolarHBondContact O-N 3.38Å; S324-S328 PolarHBondContact O-OG 3.01Å; S324-S328 VanDerWaalsContact O-OG 3.12Å
325S85.7Confident86.1Confident67 Ų6767.8 Ų67.847%0.46937%0.372SS..Hα-helixtrans-59-30.7-179.7740000114R323 T329R323-S325 VanDerWaalsContact C-N 3.32Å; R323-S325 PolarHBondContact O-N 2.85Å; S325-T329 PolarHBondContact O-N 2.95Å; S325-T329 VanDerWaalsContact O-N 3.16Å; S325-T329 PolarHBondContact O-OG1 3.13Å
326T86.9Confident85.7Confident35 Ų3565.3 Ų65.322%0.21537%0.368CS..Hα-helixtrans-76.5-34.6174.946.80000112.5R323 S324 T329 H330R323-T326 HydrophobicContact CB-CG2 4.5Å; R323-T326 PolarHBondContact O-N 3.34Å; R323-T326 VanDerWaalsContact O-N 3.08Å; R323-T326 PolarHBondContact O-OG1 2.67Å; S324-T326 PolarHBondContact O-N 2.98Å; S324-T326 VanDerWaalsContact O-N 3.1Å; T326-T329 WeakPolarHBondContact CA-OG1 3.41Å; T326-T329 PolarHBondContact O-OG1 3.5Å; T326-H330 WeakPolarHBondContact O-CB 3.09Å; T326-H330 PolarHBondContact O-N 3.47Å
327L88.4Confident85.5Confident23 Ų2363.4 Ų63.412%0.1236%0.362CS..Hα-helixtrans-62.7-47.3168.9173.663.1000110.3F312 D313 C314 F321 R323 S324 T329 H330 L331F312-L327 HydrophobicContact CB-CB 4.14Å; F312-L327 HydrophobicContact CB-CD2 3.9Å; D313-L327 WeakPolarHBondContact O-CD2 3.34Å; C314-L327 HydrophobicContact CB-CD1 3.7Å; F321-L327 HydrophobicContact CB-CB 4.32Å; F321-L327 HydrophobicContact CD2-CB 4.11Å; F321-L327 HydrophobicContact CD2-CD1 3.85Å; F321-L327 HydrophobicContact CE2-CD1 4.09Å; F321-L327 HydrophobicContact CG-CB 4.32Å; R323-L327 PolarHBondContact O-N 3.46Å; S324-L327 CarbonylContact O-C 3.59Å; S324-L327 WeakPolarHBondContact O-CA 3.43Å; S324-L327 WeakPolarHBondContact O-CB 3.43Å; S324-L327 PolarHBondContact O-N 3.32Å; L327-T329 VanDerWaalsContact C-N 3.34Å; L327-T329 PolarHBondContact O-N 3.34Å; L327-H330 CarbonylContact O-C 3.41Å; L327-H330 WeakPolarHBondContact O-CA 3.45Å; L327-H330 WeakPolarHBondContact O-CB 3.31Å; L327-H330 PolarHBondContact O-N 3.48Å; L327-L331 HydrophobicContact CD1-CD1 4.47Å; L327-L331 HydrophobicContact CD1-CD2 4.19Å; L327-L331 HydrophobicContact CD1-CG 4.08Å; L327-L331 HydrophobicContact CG-CD1 4.25Å; L327-L331 HydrophobicContact CG-CG 4.31Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.19Å
328S87.6Confident85.5Confident64 Ų6466.7 Ų66.745%0.44837%0.368SS..Hα-helixtrans-55.4-46.7176.9-46.60000112.2S324 H330 L331 L332S324-S328 PolarHBondContact O-N 3.38Å; S324-S328 PolarHBondContact O-OG 3.01Å; S324-S328 VanDerWaalsContact O-OG 3.12Å; S328-H330 PolarHBondContact O-N 3.19Å; S328-L331 PolarHBondContact O-N 3.07Å; S328-L332 PolarHBondContact O-N 2.74Å
329T87.8Confident85.7Confident51 Ų5166.6 Ų66.631%0.31336%0.357SS..Hα-helixtrans-68.4-19.9175.1560000114.2S325 T326 L327S325-T329 PolarHBondContact O-N 2.95Å; S325-T329 VanDerWaalsContact O-N 3.16Å; S325-T329 PolarHBondContact O-OG1 3.13Å; T326-T329 WeakPolarHBondContact CA-OG1 3.41Å; T326-T329 PolarHBondContact O-OG1 3.5Å; L327-T329 VanDerWaalsContact C-N 3.34Å; L327-T329 PolarHBondContact O-N 3.34Å
330H89Confident86.1Confident19 Ų1965.2 Ų65.29%0.08835%0.349CS..Hα-helixtrans-83.8-34.9175170.859.7000112.1C317 F321 T326 L327 S328 L332 I333 H334C317-H330 PolarHBondContact SG-NE2 3.44Å; F321-H330 HydrophobicContact CE1-CB 4Å; F321-H330 HydrophobicContact CE2-CB 4.05Å; F321-H330 AromaticContact CE2-CD2 3.26Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.42Å; F321-H330 AromaticContact CE2-CG 3.68Å; F321-H330 AromaticContact CE2-NE2 3.96Å; F321-H330 HydrophobicContact CZ-CB 3.59Å; F321-H330 AromaticContact CZ-CD2 3.3Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.42Å; F321-H330 AromaticContact CZ-CG 3.25Å; F321-H330 AromaticContact CZ-ND1 3.84Å; F321-H330 AromaticContact CZ-NE2 3.9Å; T326-H330 WeakPolarHBondContact O-CB 3.09Å; T326-H330 PolarHBondContact O-N 3.47Å; L327-H330 CarbonylContact O-C 3.41Å; L327-H330 WeakPolarHBondContact O-CA 3.45Å; L327-H330 WeakPolarHBondContact O-CB 3.31Å; L327-H330 PolarHBondContact O-N 3.48Å; S328-H330 PolarHBondContact O-N 3.19Å; H330-L332 PolarHBondContact O-N 2.69Å; H330-I333 VanDerWaalsContact O-CB 3.25Å; H330-I333 WeakPolarHBondContact O-CB 3.35Å; H330-I333 WeakPolarHBondContact O-CG1 3.47Å; H330-I333 PolarHBondContact O-N 3.43Å; H330-H334 AromaticContact CD2-NE2 3.4Å; H330-H334 PolarHBondContact CD2-NE2 2.99Å; H330-H334 AromaticContact CE1-NE2 2.88Å; H330-H334 PolarHBondContact CE1-NE2 2.81Å; H330-H334 AromaticContact ND1-NE2 3.99Å; H330-H334 AromaticContact NE2-CD2 3.83Å; H330-H334 AromaticContact NE2-NE2 2.36Å; H330-H334 PolarHBondContact NE2-NE2 3.02Å
331L88.9Confident86.4Confident68 Ų6865 Ų6536%0.35635%0.347SS..Hα-helixtrans-61.2-27.9173.5-65.9174.4000112L327 S328 I333 H334 S335L327-L331 HydrophobicContact CD1-CD1 4.47Å; L327-L331 HydrophobicContact CD1-CD2 4.19Å; L327-L331 HydrophobicContact CD1-CG 4.08Å; L327-L331 HydrophobicContact CG-CD1 4.25Å; L327-L331 HydrophobicContact CG-CG 4.31Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.19Å; S328-L331 PolarHBondContact O-N 3.07Å; L331-I333 PolarHBondContact O-N 3.5Å; L331-I333 VanDerWaalsContact O-N 3.07Å; L331-H334 PolarHBondContact O-N 3.13Å; L331-S335 PolarHBondContact O-N 3Å; L331-S335 PolarHBondContact O-OG 3.15Å
332L88.6Confident86.9Confident39 Ų3963.2 Ų63.220%0.20434%0.339CS..THydrogen-bonded Turntrans-59-13.6168.4-60.4178.5000114.1S328 H330 S335 T337 P339 H350S328-L332 PolarHBondContact O-N 2.74Å; H330-L332 PolarHBondContact O-N 2.69Å; L332-S335 CarbonylContact C-O 3.42Å; L332-T337 VanDerWaalsContact CD2-OG1 3.29Å; L332-T337 WeakPolarHBondContact CD2-OG1 3.42Å; L332-P339 HydrophobicContact CD1-CG 4.14Å; L332-H350 HydrophobicContact CB-CB 4.17Å; L332-H350 WeakPolarHBondContact CD1-O 3.35Å; L332-H350 PolarHBondContact O-CE1 3.04Å; L332-H350 PolarHBondContact O-ND1 2.68Å
333I87.3Confident87.3Confident98 Ų9868.6 Ų68.650%0.50337%0.365SS..THydrogen-bonded Turntrans-85.4-25.6174.1-55179.4000111H330 L331H330-I333 VanDerWaalsContact O-CB 3.25Å; H330-I333 WeakPolarHBondContact O-CB 3.35Å; H330-I333 WeakPolarHBondContact O-CG1 3.47Å; H330-I333 PolarHBondContact O-N 3.43Å; L331-I333 PolarHBondContact O-N 3.5Å; L331-I333 VanDerWaalsContact O-N 3.07Å
334H86.3Confident87.7Confident75 Ų7570.8 Ų70.835%0.34738%0.375SS..THydrogen-bonded Turntrans-92-34.1-179.5-65.9-66.8000112.9C314 I316 C317 H330 L331C314-H334 PolarHBondContact SG-NE2 3.46Å; I316-H334 HydrophobicContact CD1-CB 3.54Å; I316-H334 HydrophobicContact CG2-CB 4.37Å; I316-H334 WeakPolarHBondContact CG2-ND1 3.08Å; C317-H334 WeakPolarHBondContact CB-CE1 3.31Å; C317-H334 PolarHBondContact SG-CE1 2.9Å; C317-H334 PolarHBondContact SG-NE2 2.85Å; H330-H334 AromaticContact CD2-NE2 3.4Å; H330-H334 PolarHBondContact CD2-NE2 2.99Å; H330-H334 AromaticContact CE1-NE2 2.88Å; H330-H334 PolarHBondContact CE1-NE2 2.81Å; H330-H334 AromaticContact ND1-NE2 3.99Å; H330-H334 AromaticContact NE2-CD2 3.83Å; H330-H334 AromaticContact NE2-NE2 2.36Å; H330-H334 PolarHBondContact NE2-NE2 3.02Å; L331-H334 PolarHBondContact O-N 3.13Å
335S78.9Confident88.1Confident49 Ų4970.4 Ų70.434%0.34337%0.371SS..SBendtrans-81.4136.8159.8690000108.3L331 L332 T337L331-S335 PolarHBondContact O-N 3Å; L331-S335 PolarHBondContact O-OG 3.15Å; L332-S335 CarbonylContact C-O 3.42Å; S335-T337 PolarHBondContact O-N 3.2Å; S335-T337 PolarHBondContact OG-OG1 2.93Å
336D77.6Confident88.2Confident146 Ų14669.5 Ų69.578%0.78137%0.373SS*.  trans-66.410.2175-75.2-62.6000114.9R338D336-R338 PolarHBondContact O-N 3.05Å
337T83.3Confident88.5Confident73 Ų7374.3 Ų74.345%0.44839%0.39SS..  trans-66.9113.2176.172.20000111.4L332 S335 P339 H350L332-T337 VanDerWaalsContact CD2-OG1 3.29Å; L332-T337 WeakPolarHBondContact CD2-OG1 3.42Å; S335-T337 PolarHBondContact O-N 3.2Å; S335-T337 PolarHBondContact OG-OG1 2.93Å; T337-P339 WeakPolarHBondContact O-CD 3.33Å; T337-H350 PolarHBondContact O-ND1 2.85Å
338R87.9Confident88.7Confident110 Ų11079.4 Ų79.442%0.41541%0.408SS..  trans-116.286174-70162.1178.6-103.1-0.8108.1D336 Y340 R348 F349 H350D336-R338 PolarHBondContact O-N 3.05Å; R338-Y340 PolarHBondContact O-N 2.73Å; R338-R348 HydrophobicContact CB-CB 3.39Å; R338-R348 WeakPolarHBondContact CD-O 3.49Å; R338-R348 HydrophobicContact CG-CB 4.36Å; R338-R348 PolarHBondContact NH1-O 3.22Å; R338-R348 VanDerWaalsContact O-CZ 3.32Å; R338-R348 PolarHBondContact O-NE 3.3Å; R338-R348 PolarHBondContact O-NH2 2.8Å; R338-F349 CarbonylContact C-O 3.58Å; R338-H350 WeakPolarHBondContact CG-CE1 3.29Å; R338-H350 PolarHBondContact NH2-NE2 3.07Å
339P88.8Confident88.8Confident58 Ų5878.4 Ų78.438%0.37740%0.396SS..  trans-68.4-16.1-168.922.5-32.2000114.6L332 T337 P341L332-P339 HydrophobicContact CD1-CG 4.14Å; T337-P339 WeakPolarHBondContact O-CD 3.33Å; P339-P341 WeakPolarHBondContact O-CD 3.25Å
340Y93.3Very high88.9Confident90 Ų9077.7 Ų77.735%0.35339%0.389SS..EExtended strand (participates in β ladder)trans-109.394.2-174.5-53.4-68.7000112.3R338 R348 F349 H350 K352R338-Y340 PolarHBondContact O-N 2.73Å; Y340-R348 WeakPolarHBondContact O-CA 3.34Å; Y340-F349 PolarHBondContact N-O 2.83Å; Y340-F349 VanDerWaalsContact N-O 3.12Å; Y340-F349 PolarHBondContact O-N 3.4Å; Y340-H350 WeakPolarHBondContact CE2-O 3.2Å; Y340-K352 HydrophobicContact CD1-CB 3.88Å; Y340-K352 HydrophobicContact CD1-CG 4.36Å; Y340-K352 HydrophobicContact CD2-CB 4.34Å; Y340-K352 HydrophobicContact CE1-CB 3.85Å; Y340-K352 HydrophobicContact CE1-CG 4.5Å; Y340-K352 HydrophobicContact CE2-CB 4.28Å; Y340-K352 HydrophobicContact CG-CB 4.12Å
341P93.1Very high89Confident44 Ų4480.5 Ų80.529%0.28640%0.402SS..EExtended strand (participates in β ladder)trans-73.8149.1171.931.6-35.1000112P339 K347 R348P339-P341 WeakPolarHBondContact O-CD 3.25Å; P341-K347 CarbonylContact C-O 3.49Å; P341-R348 HydrophobicContact CB-CG 4.28Å
342C94.4Very high89.1Confident2 Ų284 Ų841%0.01441%0.414CS..  trans-83.2126.5165.1-179.10000109.8Y344 G346 K347 F349 H358C342-Y344 VanDerWaalsContact C-N 3.29Å; C342-Y344 PolarHBondContact O-N 2.87Å; C342-G346 WeakPolarHBondContact O-CA 3.45Å; C342-G346 PolarHBondContact O-N 3.29Å; C342-K347 WeakPolarHBondContact CB-O 3.45Å; C342-K347 PolarHBondContact N-O 2.93Å; C342-F349 HydrophobicContact CB-CE2 4.24Å; C342-H358 PolarHBondContact SG-CD2 3.14Å
343Q92.4Very high89.2Confident170 Ų17084.7 Ų84.779%0.79442%0.423SS*.THydrogen-bonded Turntrans-67-27.6-178.3-60.6-62.2-8.100113.4
344Y91.5Very high89.5Confident145 Ų14582.8 Ų82.857%0.56941%0.413SS*.THydrogen-bonded Turntrans-82.9-22.7-176.8-59.4-77.6000114.5C342 T359 H362 T363C342-Y344 VanDerWaalsContact C-N 3.29Å; C342-Y344 PolarHBondContact O-N 2.87Å; Y344-T359 HydrophobicContact CD2-CG2 4.2Å; Y344-T359 HydrophobicContact CE2-CG2 4.13Å; Y344-H362 VanDerWaalsContact CB-CG 3.47Å; Y344-H362 HydrophobicContact CD1-CB 4.19Å; Y344-H362 HydrophobicContact CD2-CB 3.71Å; Y344-H362 AromaticContact CD2-CD2 3.87Å; Y344-H362 AromaticContact CD2-CG 3.9Å; Y344-H362 HydrophobicContact CE2-CB 4.25Å; Y344-H362 HydrophobicContact CG-CB 3.68Å; Y344-H362 AromaticContact CG-CG 3.77Å; Y344-T363 HydrophobicContact CE2-CG2 4.34Å
345C92.7Very high89.8Confident52 Ų5280.9 Ų80.935%0.35141%0.405SS..THydrogen-bonded Turntrans-150.814.7-172.271.20000115.3K347 H358 H362C345-K347 PolarHBondContact O-N 3.48Å; C345-H358 PolarHBondContact SG-NE2 3.49Å; C345-H362 VanDerWaalsContact SG-CE1 3.6Å; C345-H362 PolarHBondContact SG-NE2 3.06Å
346G88.4Confident90.5Very high49 Ų4985 Ų8551%0.50542%0.417SS..  trans67.9-17.4177.700000116.4C342 R348C342-G346 WeakPolarHBondContact O-CA 3.45Å; C342-G346 PolarHBondContact O-N 3.29Å; G346-R348 WeakPolarHBondContact O-CG 3.38Å; G346-R348 PolarHBondContact O-N 3.4Å
347K92.4Very high91.1Very high135 Ų13582.2 Ų82.259%0.58740%0.398SS*.  trans-53.7128.9-176.3-72.1-177.4179.8179.90111.6P341 C342 C345 F349P341-K347 CarbonylContact C-O 3.49Å; C342-K347 WeakPolarHBondContact CB-O 3.45Å; C342-K347 PolarHBondContact N-O 2.93Å; C345-K347 PolarHBondContact O-N 3.48Å; K347-F349 HydrophobicContact CB-CE2 4.14Å; K347-F349 HydrophobicContact CB-CZ 4.42Å; K347-F349 WeakPolarHBondContact O-CD2 3.43Å; K347-F349 VanDerWaalsContact O-CE2 3.29Å; K347-F349 WeakPolarHBondContact O-CE2 3.25Å
348R91.9Very high91.6Very high131 Ų13180 Ų8049%0.49438%0.382SS..EExtended strand (participates in β ladder)trans-106.9139.6-171.1-50-172.664.6112.72112.9R338 Y340 P341 G346R338-R348 HydrophobicContact CB-CB 3.39Å; R338-R348 WeakPolarHBondContact CD-O 3.49Å; R338-R348 HydrophobicContact CG-CB 4.36Å; R338-R348 PolarHBondContact NH1-O 3.22Å; R338-R348 VanDerWaalsContact O-CZ 3.32Å; R338-R348 PolarHBondContact O-NE 3.3Å; R338-R348 PolarHBondContact O-NH2 2.8Å; Y340-R348 WeakPolarHBondContact O-CA 3.34Å; P341-R348 HydrophobicContact CB-CG 4.28Å; G346-R348 WeakPolarHBondContact O-CG 3.38Å; G346-R348 PolarHBondContact O-N 3.4Å
349F91.1Very high91.8Very high43 Ų4376 Ų7619%0.18937%0.37CS..EExtended strand (participates in β ladder)trans-123.6152.6-175.4-59.8-93.1000112R338 Y340 C342 K347 D354 M355 H358R338-F349 CarbonylContact C-O 3.58Å; Y340-F349 PolarHBondContact N-O 2.83Å; Y340-F349 VanDerWaalsContact N-O 3.12Å; Y340-F349 PolarHBondContact O-N 3.4Å; C342-F349 HydrophobicContact CB-CE2 4.24Å; K347-F349 HydrophobicContact CB-CE2 4.14Å; K347-F349 HydrophobicContact CB-CZ 4.42Å; K347-F349 WeakPolarHBondContact O-CD2 3.43Å; K347-F349 VanDerWaalsContact O-CE2 3.29Å; K347-F349 WeakPolarHBondContact O-CE2 3.25Å; F349-D354 HydrophobicContact CD1-CB 4.28Å; F349-M355 HydrophobicContact CB-CB 4.08Å; F349-M355 HydrophobicContact CD2-CB 3.66Å; F349-M355 HydrophobicContact CD2-CG 3.93Å; F349-M355 HydrophobicContact CE2-CB 4.42Å; F349-M355 HydrophobicContact CE2-CG 4.45Å; F349-M355 HydrophobicContact CG-CB 3.98Å; F349-H358 HydrophobicContact CE1-CB 4.02Å; F349-H358 HydrophobicContact CE2-CB 4.05Å; F349-H358 AromaticContact CE2-CD2 3.59Å; F349-H358 AromaticContact CE2-CG 3.84Å; F349-H358 HydrophobicContact CZ-CB 3.5Å; F349-H358 AromaticContact CZ-CD2 3.53Å; F349-H358 AromaticContact CZ-CG 3.33Å; F349-H358 AromaticContact CZ-ND1 3.89Å
350H90.1Very high92Very high36 Ų3675 Ų7517%0.16736%0.36CS..SBendtrans-79.6-19175.2-50.1-77.1000113L332 T337 R338 Y340L332-H350 HydrophobicContact CB-CB 4.17Å; L332-H350 WeakPolarHBondContact CD1-O 3.35Å; L332-H350 PolarHBondContact O-CE1 3.04Å; L332-H350 PolarHBondContact O-ND1 2.68Å; T337-H350 PolarHBondContact O-ND1 2.85Å; R338-H350 WeakPolarHBondContact CG-CE1 3.29Å; R338-H350 PolarHBondContact NH2-NE2 3.07Å; Y340-H350 WeakPolarHBondContact CE2-O 3.2Å
351Q90.8Very high91.9Very high77 Ų7776.5 Ų76.536%0.3637%0.373SS..  trans-131.7138.6177.6-57.5-170.512.300112.6S353 D354 M355Q351-S353 VanDerWaalsContact C-N 3.25Å; Q351-S353 WeakPolarHBondContact CB-OG 3.47Å; Q351-S353 PolarHBondContact O-N 3.32Å; Q351-S353 PolarHBondContact OE1-OG 3.15Å; Q351-D354 PolarHBondContact O-N 3.24Å; Q351-D354 VanDerWaalsContact O-N 3.14Å; Q351-M355 PolarHBondContact O-N 3.5Å; Q351-M355 VanDerWaalsContact O-N 3.15Å
352K90.9Very high91.8Very high142 Ų14278.1 Ų78.162%0.61738%0.376SS*.Hα-helixtrans-60.9-33.4176.9-173.9173.6-179.1173.70112.7Y340 D354 M355 K356Y340-K352 HydrophobicContact CD1-CB 3.88Å; Y340-K352 HydrophobicContact CD1-CG 4.36Å; Y340-K352 HydrophobicContact CD2-CB 4.34Å; Y340-K352 HydrophobicContact CE1-CB 3.85Å; Y340-K352 HydrophobicContact CE1-CG 4.5Å; Y340-K352 HydrophobicContact CE2-CB 4.28Å; Y340-K352 HydrophobicContact CG-CB 4.12Å; K352-D354 VanDerWaalsContact C-N 3.34Å; K352-M355 HydrophobicContact CG-CE 4.27Å; K352-K356 WeakPolarHBondContact O-CB 3.14Å; K352-K356 PolarHBondContact O-N 2.84Å
353S90.9Very high91.6Very high54 Ų5480.8 Ų80.838%0.37839%0.392SS..Hα-helixtrans-61.1-39.9174.841.40000112.5Q351 K356 K357Q351-S353 VanDerWaalsContact C-N 3.25Å; Q351-S353 WeakPolarHBondContact CB-OG 3.47Å; Q351-S353 PolarHBondContact O-N 3.32Å; Q351-S353 PolarHBondContact OE1-OG 3.15Å; S353-K356 PolarHBondContact O-N 2.92Å; S353-K357 VanDerWaalsContact O-CG 3.31Å; S353-K357 WeakPolarHBondContact O-CG 3.46Å; S353-K357 PolarHBondContact O-N 2.81Å
354D91.9Very high91.5Very high57 Ų5774.8 Ų74.831%0.30538%0.377SS..Hα-helixtrans-80.6-36.4-177.6-62-33.4000111.6F349 Q351 K352 K356 K357 H358F349-D354 HydrophobicContact CD1-CB 4.28Å; Q351-D354 PolarHBondContact O-N 3.24Å; Q351-D354 VanDerWaalsContact O-N 3.14Å; K352-D354 VanDerWaalsContact C-N 3.34Å; D354-K356 VanDerWaalsContact C-N 3.34Å; D354-K356 PolarHBondContact O-N 3.4Å; D354-K357 PolarHBondContact O-N 2.96Å; D354-K357 IonicContact OD1-NZ 3.13Å; D354-K357 PolarHBondContact OD1-NZ 3.42Å; D354-H358 WeakPolarHBondContact O-CB 3.43Å; D354-H358 PolarHBondContact O-N 3.29Å
355M94.4Very high91.4Very high36 Ų3673 Ų7318%0.17737%0.374CS..Hα-helixtrans-56.2-46.9165.8-176.9-79.9-70.200111.1F349 Q351 K352 K357 H358 T359F349-M355 HydrophobicContact CB-CB 4.08Å; F349-M355 HydrophobicContact CD2-CB 3.66Å; F349-M355 HydrophobicContact CD2-CG 3.93Å; F349-M355 HydrophobicContact CE2-CB 4.42Å; F349-M355 HydrophobicContact CE2-CG 4.45Å; F349-M355 HydrophobicContact CG-CB 3.98Å; Q351-M355 PolarHBondContact O-N 3.5Å; Q351-M355 VanDerWaalsContact O-N 3.15Å; K352-M355 HydrophobicContact CG-CE 4.27Å; M355-K357 PolarHBondContact O-N 3.03Å; M355-H358 WeakPolarHBondContact O-CA 3.41Å; M355-H358 WeakPolarHBondContact O-CB 3.47Å; M355-H358 PolarHBondContact O-N 2.76Å; M355-T359 PolarHBondContact O-N 3.47Å; M355-T359 HydrophobicContact SD-CG2 3.86Å
356K92.3Very high91.3Very high134 Ų13476.2 Ų76.258%0.58338%0.382SS*.Hα-helixtrans-65.1-33.7177.2-174.2173.7-178.6176.80113.6K352 S353 D354 H358 T359K352-K356 WeakPolarHBondContact O-CB 3.14Å; K352-K356 PolarHBondContact O-N 2.84Å; S353-K356 PolarHBondContact O-N 2.92Å; D354-K356 VanDerWaalsContact C-N 3.34Å; D354-K356 PolarHBondContact O-N 3.4Å; K356-H358 VanDerWaalsContact C-N 3.3Å; K356-T359 PolarHBondContact O-OG1 2.97Å
357K91.6Very high91.4Very high89 Ų8977.6 Ų77.639%0.38738%0.381SS..Hα-helixtrans-68.3-32.8171.6-68.5165.1-157.3162.50111.6S353 D354 M355S353-K357 VanDerWaalsContact O-CG 3.31Å; S353-K357 WeakPolarHBondContact O-CG 3.46Å; S353-K357 PolarHBondContact O-N 2.81Å; D354-K357 PolarHBondContact O-N 2.96Å; D354-K357 IonicContact OD1-NZ 3.13Å; D354-K357 PolarHBondContact OD1-NZ 3.42Å; M355-K357 PolarHBondContact O-N 3.03Å
358H93.1Very high91.4Very high25 Ų2574.2 Ų74.212%0.11637%0.368CS..Hα-helixtrans-72.6-34.4178170.771.7000112.6C342 C345 F349 D354 M355 K356 F360 I361 H362C342-H358 PolarHBondContact SG-CD2 3.14Å; C345-H358 PolarHBondContact SG-NE2 3.49Å; F349-H358 HydrophobicContact CE1-CB 4.02Å; F349-H358 HydrophobicContact CE2-CB 4.05Å; F349-H358 AromaticContact CE2-CD2 3.59Å; F349-H358 AromaticContact CE2-CG 3.84Å; F349-H358 HydrophobicContact CZ-CB 3.5Å; F349-H358 AromaticContact CZ-CD2 3.53Å; F349-H358 AromaticContact CZ-CG 3.33Å; F349-H358 AromaticContact CZ-ND1 3.89Å; D354-H358 WeakPolarHBondContact O-CB 3.43Å; D354-H358 PolarHBondContact O-N 3.29Å; M355-H358 WeakPolarHBondContact O-CA 3.41Å; M355-H358 WeakPolarHBondContact O-CB 3.47Å; M355-H358 PolarHBondContact O-N 2.76Å; K356-H358 VanDerWaalsContact C-N 3.3Å; H358-F360 PolarHBondContact O-N 3.26Å; H358-F360 VanDerWaalsContact O-N 3.16Å; H358-I361 WeakPolarHBondContact O-CB 3.36Å; H358-I361 WeakPolarHBondContact O-CG1 3.42Å; H358-I361 PolarHBondContact O-N 3.15Å; H358-H362 AromaticContact CD2-NE2 3.96Å; H358-H362 AromaticContact CE1-NE2 3.62Å; H358-H362 AromaticContact NE2-CD2 3.81Å; H358-H362 AromaticContact NE2-NE2 3.1Å; H358-H362 PolarHBondContact NE2-NE2 2.94Å; H358-H362 VanDerWaalsContact NE2-NE2 3.1Å
359T92.3Very high91.5Very high26 Ų2674.6 Ų74.616%0.1637%0.373CS..Hα-helixtrans-60-26.6177.851.20000113.5Y344 M355 K356 I361 H362 T363Y344-T359 HydrophobicContact CD2-CG2 4.2Å; Y344-T359 HydrophobicContact CE2-CG2 4.13Å; M355-T359 PolarHBondContact O-N 3.47Å; M355-T359 HydrophobicContact SD-CG2 3.86Å; K356-T359 PolarHBondContact O-OG1 2.97Å; T359-I361 PolarHBondContact O-N 3.45Å; T359-I361 VanDerWaalsContact O-N 3.13Å; T359-H362 PolarHBondContact O-N 2.86Å; T359-T363 PolarHBondContact O-N 3.1Å; T359-T363 PolarHBondContact O-OG1 3.33Å
360F92.6Very high91.6Very high37 Ų3772.8 Ų72.816%0.16237%0.366CS..Hα-helixtrans-61.1-16.8172.7-59.4-37.9000114.6H358 G364 E365 S378H358-F360 PolarHBondContact O-N 3.26Å; H358-F360 VanDerWaalsContact O-N 3.16Å; F360-G364 WeakPolarHBondContact O-CA 3.16Å; F360-G364 PolarHBondContact O-N 3.48Å; F360-E365 HydrophobicContact CD1-CB 3.86Å; F360-E365 WeakPolarHBondContact CD1-OE2 3.44Å; F360-E365 HydrophobicContact CE1-CB 4.39Å; F360-E365 WeakPolarHBondContact CE1-OE2 3.08Å; F360-S378 WeakPolarHBondContact CD2-O 3.41Å
361I91.7Very high91.7Very high123 Ų12379.9 Ų79.963%0.63140%0.399SS*.Hα-helixtrans-73.7-34.2172.5-58.4178.9000110.5H358 T359H358-I361 WeakPolarHBondContact O-CB 3.36Å; H358-I361 WeakPolarHBondContact O-CG1 3.42Å; H358-I361 PolarHBondContact O-N 3.15Å; T359-I361 PolarHBondContact O-N 3.45Å; T359-I361 VanDerWaalsContact O-N 3.13Å
362H91Very high91.8Very high78 Ų7881.1 Ų81.136%0.36141%0.412SS..Hα-helixtrans-85.4-42.2-179.8-59.6-71.6000112.2Y344 C345 H358 T359 G364Y344-H362 VanDerWaalsContact CB-CG 3.47Å; Y344-H362 HydrophobicContact CD1-CB 4.19Å; Y344-H362 HydrophobicContact CD2-CB 3.71Å; Y344-H362 AromaticContact CD2-CD2 3.87Å; Y344-H362 AromaticContact CD2-CG 3.9Å; Y344-H362 HydrophobicContact CE2-CB 4.25Å; Y344-H362 HydrophobicContact CG-CB 3.68Å; Y344-H362 AromaticContact CG-CG 3.77Å; C345-H362 VanDerWaalsContact SG-CE1 3.6Å; C345-H362 PolarHBondContact SG-NE2 3.06Å; H358-H362 AromaticContact CD2-NE2 3.96Å; H358-H362 AromaticContact CE1-NE2 3.62Å; H358-H362 AromaticContact NE2-CD2 3.81Å; H358-H362 AromaticContact NE2-NE2 3.1Å; H358-H362 PolarHBondContact NE2-NE2 2.94Å; H358-H362 VanDerWaalsContact NE2-NE2 3.1Å; T359-H362 PolarHBondContact O-N 2.86Å; H362-G364 VanDerWaalsContact C-N 3.29Å; H362-G364 PolarHBondContact O-N 2.96Å
363T89.6Confident91.8Very high57 Ų5776.5 Ų76.535%0.3540%0.397SS..Hα-helixtrans-78.7-13178.762.20000113.4Y344 T359 E365Y344-T363 HydrophobicContact CE2-CG2 4.34Å; T359-T363 PolarHBondContact O-N 3.1Å; T359-T363 PolarHBondContact O-OG1 3.33Å; T363-E365 PolarHBondContact O-N 3.16Å; T363-E365 VanDerWaalsContact O-N 3.08Å; T363-E365 WeakPolarHBondContact OG1-CB 3.37Å; T363-E365 WeakPolarHBondContact OG1-CG 3.47Å; T363-E365 PolarHBondContact OG1-N 3.3Å; T363-E365 PolarHBondContact OG1-OE2 3.49Å
364G89.5Confident91.8Very high45 Ų4576.5 Ų76.546%0.46441%0.405SS..  trans671.4-173.600000114.6F360 H362 K366F360-G364 WeakPolarHBondContact O-CA 3.16Å; F360-G364 PolarHBondContact O-N 3.48Å; H362-G364 VanDerWaalsContact C-N 3.29Å; H362-G364 PolarHBondContact O-N 2.96Å; G364-K366 PolarHBondContact O-N 3.17Å
365E89.8Confident91.8Very high108 Ų10880 Ų8051%0.50542%0.417SS..  trans-60.6127.1-175.6-75.1176.8155.100112F360 T363 P367F360-E365 HydrophobicContact CD1-CB 3.86Å; F360-E365 WeakPolarHBondContact CD1-OE2 3.44Å; F360-E365 HydrophobicContact CE1-CB 4.39Å; F360-E365 WeakPolarHBondContact CE1-OE2 3.08Å; T363-E365 PolarHBondContact O-N 3.16Å; T363-E365 VanDerWaalsContact O-N 3.08Å; T363-E365 WeakPolarHBondContact OG1-CB 3.37Å; T363-E365 WeakPolarHBondContact OG1-CG 3.47Å; T363-E365 PolarHBondContact OG1-N 3.3Å; T363-E365 PolarHBondContact OG1-OE2 3.49Å; E365-P367 WeakPolarHBondContact O-CD 3.33Å
366K91.5Very high91.8Very high119 Ų11979.9 Ų79.952%0.51742%0.422SS..  trans-127.273.6-179.4-72161.7-178173.10109.8G364 H368 A376 F377G364-K366 PolarHBondContact O-N 3.17Å; K366-H368 PolarHBondContact O-N 3.34Å; K366-H368 VanDerWaalsContact O-N 3.15Å; K366-A376 HydrophobicContact CB-CB 3.52Å; K366-A376 HydrophobicContact CD-CB 4.19Å; K366-A376 HydrophobicContact CG-CB 4.41Å; K366-F377 CarbonylContact C-O 3.58Å; K366-F377 VanDerWaalsContact C-O 3.3Å; K366-F377 WeakPolarHBondContact CA-O 3.5Å
367P90.1Very high91.7Very high77 Ų7775.7 Ų75.750%0.540%0.404SS..  trans-65.6-15.5-17425.6-35000114.2E365E365-P367 WeakPolarHBondContact O-CD 3.33Å
368H92.8Very high91.7Very high64 Ų6473.1 Ų73.130%0.29640%0.397SS..EExtended strand (participates in β ladder)trans-104.391.4-176-58.2-62.8000111.3K366 F377 S380 L383K366-H368 PolarHBondContact O-N 3.34Å; K366-H368 VanDerWaalsContact O-N 3.15Å; H368-F377 HydrophobicContact CB-CB 4.42Å; H368-F377 WeakPolarHBondContact CB-O 3.5Å; H368-F377 PolarHBondContact N-O 2.99Å; H368-F377 PolarHBondContact O-N 2.94Å; H368-S380 PolarHBondContact CD2-N 3.08Å; H368-S380 PolarHBondContact NE2-N 3.14Å; H368-L383 HydrophobicContact CB-CB 4.07Å; H368-L383 HydrophobicContact CB-CD2 3.86Å
369K93.1Very high91.7Very high139 Ų13975.2 Ų75.260%0.60441%0.407SS*.EExtended strand (participates in β ladder)trans-87.5138.8177.9-62.8-176.1179.9-178.50112.1A376K369-A376 HydrophobicContact CG-CB 3.9Å
370C94.2Very high91.7Very high6 Ų677 Ų774%0.04142%0.421CS..  trans-81.3122.8170.4-173.20000109.9V372 G374 K375 F377 L383C370-V372 VanDerWaalsContact C-N 3.29Å; C370-V372 PolarHBondContact O-N 2.97Å; C370-G374 WeakPolarHBondContact O-CA 3.5Å; C370-G374 PolarHBondContact O-N 2.91Å; C370-K375 WeakPolarHBondContact CB-O 3.26Å; C370-K375 PolarHBondContact N-O 3.2Å; C370-F377 HydrophobicContact CB-CE2 4.47Å; C370-L383 HydrophobicContact CB-CD1 3.61Å
371Q92.4Very high91.6Very high184 Ų18477.9 Ų77.986%0.8643%0.431SS*.THydrogen-bonded Turntrans-71.6-22.6-179-57.1-60.1-10.400113.2
372V91.4Very high91.6Very high104 Ų10475.1 Ų75.163%0.6342%0.418SS*.THydrogen-bonded Turntrans-80.8-31.7-177.2-177.10000112.6C370 H390C370-V372 VanDerWaalsContact C-N 3.29Å; C370-V372 PolarHBondContact O-N 2.97Å; V372-H390 HydrophobicContact CG1-CB 4.24Å
373C92.7Very high91.8Very high45 Ų4573.2 Ų73.230%0.30441%0.41SS..THydrogen-bonded Turntrans-139.814.9-174.569.20000114.7K375 H386 H390C373-K375 PolarHBondContact O-N 2.99Å; C373-H386 PolarHBondContact SG-NE2 2.55Å; C373-H390 WeakPolarHBondContact CB-NE2 3.25Å; C373-H390 PolarHBondContact SG-NE2 2.77Å
374G90.1Very high91.9Very high53 Ų5375 Ų7555%0.54642%0.416SS..  trans68-15.5179.900000116.4C370 A376C370-G374 WeakPolarHBondContact O-CA 3.5Å; C370-G374 PolarHBondContact O-N 2.91Å; G374-A376 PolarHBondContact O-N 3.1Å
375K92.1Very high92Very high130 Ų13074.7 Ų74.757%0.56541%0.406SS*.  trans-59.5127-171.9-69.5-176.5-178.8-178.50112C370 C373 F377C370-K375 WeakPolarHBondContact CB-O 3.26Å; C370-K375 PolarHBondContact N-O 3.2Å; C373-K375 PolarHBondContact O-N 2.99Å; K375-F377 HydrophobicContact CB-CE2 4.07Å; K375-F377 HydrophobicContact CB-CZ 4.17Å; K375-F377 VanDerWaalsContact O-CE2 3.31Å; K375-F377 WeakPolarHBondContact O-CE2 3.15Å
376A93.1Very high92.1Very high34 Ų3470.7 Ų70.728%0.28139%0.387SS..EExtended strand (participates in β ladder)trans-103.5140.8-173.600000112.3K366 K369 G374K366-A376 HydrophobicContact CB-CB 3.52Å; K366-A376 HydrophobicContact CD-CB 4.19Å; K366-A376 HydrophobicContact CG-CB 4.41Å; K369-A376 HydrophobicContact CG-CB 3.9Å; G374-A376 PolarHBondContact O-N 3.1Å
377F91Very high92.1Very high46 Ų4667.1 Ų67.120%0.20238%0.377CS..EExtended strand (participates in β ladder)trans-128.5147.9-177.1-58-86.5000111.7K366 H368 C370 K375 Q379 N382 L383 H386K366-F377 CarbonylContact C-O 3.58Å; K366-F377 VanDerWaalsContact C-O 3.3Å; K366-F377 WeakPolarHBondContact CA-O 3.5Å; H368-F377 HydrophobicContact CB-CB 4.42Å; H368-F377 WeakPolarHBondContact CB-O 3.5Å; H368-F377 PolarHBondContact N-O 2.99Å; H368-F377 PolarHBondContact O-N 2.94Å; C370-F377 HydrophobicContact CB-CE2 4.47Å; K375-F377 HydrophobicContact CB-CE2 4.07Å; K375-F377 HydrophobicContact CB-CZ 4.17Å; K375-F377 VanDerWaalsContact O-CE2 3.31Å; K375-F377 WeakPolarHBondContact O-CE2 3.15Å; F377-Q379 VanDerWaalsContact C-N 3.31Å; F377-N382 HydrophobicContact CB-CB 4.19Å; F377-N382 HydrophobicContact CD1-CB 3.93Å; F377-N382 HydrophobicContact CG-CB 4.26Å; F377-L383 HydrophobicContact CD2-CB 4Å; F377-L383 HydrophobicContact CD2-CD1 4.02Å; F377-L383 HydrophobicContact CE2-CD1 4.19Å; F377-L383 HydrophobicContact CG-CB 4.47Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 3.89Å; F377-H386 AromaticContact CE2-CD2 3.47Å; F377-H386 VanDerWaalsContact CE2-CD2 3.47Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.26Å; F377-H386 AromaticContact CE2-CG 3.64Å; F377-H386 HydrophobicContact CZ-CB 3.56Å; F377-H386 AromaticContact CZ-CD2 3.62Å; F377-H386 AromaticContact CZ-CG 3.32Å; F377-H386 AromaticContact CZ-ND1 3.71Å
378S91.6Very high92.2Very high35 Ų3566 Ų6625%0.24536%0.363CS..SBendtrans-78.3-11.8174.753.80000113.9F360F360-S378 WeakPolarHBondContact CD2-O 3.41Å
379Q92.3Very high92Very high70 Ų7069.5 Ų69.533%0.32738%0.377SS..SBendtrans-137.9139.1-179.5-58.6-1756.900111.5F377 S381 N382 L383F377-Q379 VanDerWaalsContact C-N 3.31Å; Q379-S381 VanDerWaalsContact C-N 3.32Å; Q379-S381 PolarHBondContact O-N 2.92Å; Q379-S381 PolarHBondContact OE1-OG 3.04Å; Q379-N382 HydrophobicContact CB-CB 4.46Å; Q379-N382 WeakPolarHBondContact O-CB 3.38Å; Q379-N382 PolarHBondContact O-N 3.08Å; Q379-N382 VanDerWaalsContact O-N 3.15Å; Q379-L383 PolarHBondContact O-N 3.1Å
380S92.7Very high91.9Very high63 Ų6367.7 Ų67.744%0.44137%0.371SS..Hα-helixtrans-64.7-33.2179.356.50000113.1H368 N382 L383 I384H368-S380 PolarHBondContact CD2-N 3.08Å; H368-S380 PolarHBondContact NE2-N 3.14Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.48Å; S380-L383 PolarHBondContact O-N 2.7Å; S380-I384 VanDerWaalsContact O-CG1 3.3Å; S380-I384 WeakPolarHBondContact O-CG1 3.12Å; S380-I384 PolarHBondContact O-N 3.35Å
381S90.9Very high91.6Very high55 Ų5572.3 Ų72.339%0.38540%0.399SS..Hα-helixtrans-57.6-39.3171.545.90000112.9Q379 T385Q379-S381 VanDerWaalsContact C-N 3.32Å; Q379-S381 PolarHBondContact O-N 2.92Å; Q379-S381 PolarHBondContact OE1-OG 3.04Å; S381-T385 WeakPolarHBondContact O-CG2 3.35Å; S381-T385 PolarHBondContact O-N 3.4Å; S381-T385 PolarHBondContact O-OG1 3.26Å
382N92.6Very high91.3Very high66 Ų6665.5 Ų65.535%0.35338%0.378SS..Hα-helixtrans-71.7-38.6177.5-65.6-11.6000110.8F377 Q379 S380 T385 H386F377-N382 HydrophobicContact CB-CB 4.19Å; F377-N382 HydrophobicContact CD1-CB 3.93Å; F377-N382 HydrophobicContact CG-CB 4.26Å; Q379-N382 HydrophobicContact CB-CB 4.46Å; Q379-N382 WeakPolarHBondContact O-CB 3.38Å; Q379-N382 PolarHBondContact O-N 3.08Å; Q379-N382 VanDerWaalsContact O-N 3.15Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.48Å; N382-T385 WeakPolarHBondContact CA-OG1 3.47Å; N382-T385 PolarHBondContact O-OG1 2.36Å; N382-H386 WeakPolarHBondContact O-CB 3.3Å; N382-H386 PolarHBondContact O-N 2.88Å
383L93.9Very high91.2Very high38 Ų3866.3 Ų66.320%0.19937%0.373CS..Hα-helixtrans-63.1-45.3171.5174.160.4000112H368 C370 F377 Q379 S380 H386 S387H368-L383 HydrophobicContact CB-CB 4.07Å; H368-L383 HydrophobicContact CB-CD2 3.86Å; C370-L383 HydrophobicContact CB-CD1 3.61Å; F377-L383 HydrophobicContact CD2-CB 4Å; F377-L383 HydrophobicContact CD2-CD1 4.02Å; F377-L383 HydrophobicContact CE2-CD1 4.19Å; F377-L383 HydrophobicContact CG-CB 4.47Å; Q379-L383 PolarHBondContact O-N 3.1Å; S380-L383 PolarHBondContact O-N 2.7Å; L383-H386 PolarHBondContact O-N 3.18Å; L383-S387 PolarHBondContact O-N 3.38Å
384I92.1Very high91.1Very high93 Ų9370.1 Ų70.148%0.47739%0.385SS..Hα-helixtrans-64.3-40.5178.5-68.2162.2000111.6S380 H386 S387S380-I384 VanDerWaalsContact O-CG1 3.3Å; S380-I384 WeakPolarHBondContact O-CG1 3.12Å; S380-I384 PolarHBondContact O-N 3.35Å; I384-H386 VanDerWaalsContact C-N 3.35Å; I384-S387 PolarHBondContact O-OG 3.34Å
385T91.1Very high91.1Very high40 Ų4070.2 Ų70.225%0.24538%0.376CS..Hα-helixtrans-73.2-30.3176.6480000112.1S381 N382 R407S381-T385 WeakPolarHBondContact O-CG2 3.35Å; S381-T385 PolarHBondContact O-N 3.4Å; S381-T385 PolarHBondContact O-OG1 3.26Å; N382-T385 WeakPolarHBondContact CA-OG1 3.47Å; N382-T385 PolarHBondContact O-OG1 2.36Å; T385-R407 HydrophobicContact CG2-CG 4.45Å
386H92.8Very high91Very high23 Ų2367 Ų6711%0.10636%0.362CS..Hα-helixtrans-68.3-42171.7170.971.8000112.6C373 F377 N382 L383 I384 R388 K389C373-H386 PolarHBondContact SG-NE2 2.55Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 3.89Å; F377-H386 AromaticContact CE2-CD2 3.47Å; F377-H386 VanDerWaalsContact CE2-CD2 3.47Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.26Å; F377-H386 AromaticContact CE2-CG 3.64Å; F377-H386 HydrophobicContact CZ-CB 3.56Å; F377-H386 AromaticContact CZ-CD2 3.62Å; F377-H386 AromaticContact CZ-CG 3.32Å; F377-H386 AromaticContact CZ-ND1 3.71Å; N382-H386 WeakPolarHBondContact O-CB 3.3Å; N382-H386 PolarHBondContact O-N 2.88Å; L383-H386 PolarHBondContact O-N 3.18Å; I384-H386 VanDerWaalsContact C-N 3.35Å; H386-R388 PolarHBondContact O-N 3.15Å; H386-K389 VanDerWaalsContact O-CB 3.24Å; H386-K389 WeakPolarHBondContact O-CB 3.36Å; H386-K389 WeakPolarHBondContact O-CG 3.47Å; H386-K389 PolarHBondContact O-N 3.08Å
387S91.5Very high90.9Very high45 Ų4567 Ų6732%0.31537%0.365SS..Hα-helixtrans-62.7-25.8-178.768.20000113.5L383 I384 K389 H390 T391L383-S387 PolarHBondContact O-N 3.38Å; I384-S387 PolarHBondContact O-OG 3.34Å; S387-K389 PolarHBondContact O-N 3.47Å; S387-K389 VanDerWaalsContact O-N 3.16Å; S387-H390 PolarHBondContact O-N 2.86Å; S387-T391 PolarHBondContact O-N 3.31Å; S387-T391 PolarHBondContact O-OG1 3.47Å
388R92.2Very high91Very high53 Ų5365 Ų6520%0.236%0.357CS..Hα-helixtrans-60.4-17.7170.2-65.4175.4-167.7176.7-0.9114.3H386 G392 F393 Q406H386-R388 PolarHBondContact O-N 3.15Å; R388-G392 CarbonylContact O-C 3.57Å; R388-G392 WeakPolarHBondContact O-CA 3.1Å; R388-G392 PolarHBondContact O-N 3.01Å; R388-F393 HydrophobicContact CG-CD1 4.39Å; R388-F393 PolarHBondContact O-N 2.83Å; R388-Q406 HydrophobicContact CB-CB 4.45Å; R388-Q406 HydrophobicContact CB-CG 4.2Å; R388-Q406 PolarHBondContact NH1-O 3.45Å; R388-Q406 PolarHBondContact O-NE2 3.22Å
389K89Confident91Very high138 Ų13869.5 Ų69.560%0.638%0.378SS*.Hα-helixtrans-72.4-39172.2-64-171.3173.3-160.70111.8H386 S387H386-K389 VanDerWaalsContact O-CB 3.24Å; H386-K389 WeakPolarHBondContact O-CB 3.36Å; H386-K389 WeakPolarHBondContact O-CG 3.47Å; H386-K389 PolarHBondContact O-N 3.08Å; S387-K389 PolarHBondContact O-N 3.47Å; S387-K389 VanDerWaalsContact O-N 3.16Å
390H89.4Confident90.9Very high100 Ų10071.3 Ų71.346%0.46339%0.389SS..Hα-helixtrans-73.9-37.9178.6-58.9-57.4000112.2V372 C373 S387V372-H390 HydrophobicContact CG1-CB 4.24Å; C373-H390 WeakPolarHBondContact CB-NE2 3.25Å; C373-H390 PolarHBondContact SG-NE2 2.77Å; S387-H390 PolarHBondContact O-N 2.86Å
391T87.9Confident90.9Very high103 Ų10370.8 Ų70.863%0.63239%0.385SS*.SBendtrans-87.4-2.5-179.958.80000114.2S387 F393S387-T391 PolarHBondContact O-N 3.31Å; S387-T391 PolarHBondContact O-OG1 3.47Å; T391-F393 PolarHBondContact O-N 3.22Å; T391-F393 WeakPolarHBondContact OG1-CB 3.24Å
392G86.5Confident90.7Very high41 Ų4171.2 Ų71.242%0.42340%0.398SS..  trans63.10.6-172.200000115.3R388 K394R388-G392 CarbonylContact O-C 3.57Å; R388-G392 WeakPolarHBondContact O-CA 3.1Å; R388-G392 PolarHBondContact O-N 3.01Å; G392-K394 WeakPolarHBondContact O-CG 3.49Å; G392-K394 PolarHBondContact O-N 3.1Å
393F89.6Confident90.6Very high122 Ų12273.8 Ų73.854%0.53541%0.406SS..  trans-66.8116.8-166.8-175.9-113.3000112.9R388 T391 P395R388-F393 HydrophobicContact CG-CD1 4.39Å; R388-F393 PolarHBondContact O-N 2.83Å; T391-F393 PolarHBondContact O-N 3.22Å; T391-F393 WeakPolarHBondContact OG1-CB 3.24Å; F393-P395 HydrophobicContact CD1-CB 4.38Å; F393-P395 HydrophobicContact CD1-CG 4.15Å; F393-P395 HydrophobicContact CE1-CB 3.65Å; F393-P395 HydrophobicContact CE1-CG 3.84Å; F393-P395 HydrophobicContact CZ-CB 3.93Å; F393-P395 VanDerWaalsContact O-CD 3.25Å; F393-P395 WeakPolarHBondContact O-CD 3.44Å
394K90.5Very high90.5Very high125 Ų12573.3 Ų73.354%0.54341%0.411SS..  trans-116.181.3-175.2-75.2158.4172.8-179.20110.8G392 F396 G404 F405 Q406G392-K394 WeakPolarHBondContact O-CG 3.49Å; G392-K394 PolarHBondContact O-N 3.1Å; K394-F396 PolarHBondContact O-N 3.33Å; K394-F396 VanDerWaalsContact O-N 3.16Å; K394-G404 VanDerWaalsContact CD-O 3.31Å; K394-G404 WeakPolarHBondContact CD-O 3.49Å; K394-F405 CarbonylContact C-O 3.39Å; K394-F405 WeakPolarHBondContact CA-O 3.25Å; K394-Q406 HydrophobicContact CG-CG 4.2Å
395P89.5Confident90.4Very high54 Ų5471 Ų7135%0.35140%0.397SS..  trans-72.7-2.6-174.827.4-33.9000115.2F393F393-P395 HydrophobicContact CD1-CB 4.38Å; F393-P395 HydrophobicContact CD1-CG 4.15Å; F393-P395 HydrophobicContact CE1-CB 3.65Å; F393-P395 HydrophobicContact CE1-CG 3.84Å; F393-P395 HydrophobicContact CZ-CB 3.93Å; F393-P395 VanDerWaalsContact O-CD 3.25Å; F393-P395 WeakPolarHBondContact O-CD 3.44Å
396F91.8Very high90.3Very high63 Ų6371.2 Ų71.228%0.27640%0.396SS..EExtended strand (participates in β ladder)trans-122.1101.3-174.8-57.4-66.3000110.8K394 F405 R407 K408 L411K394-F396 PolarHBondContact O-N 3.33Å; K394-F396 VanDerWaalsContact O-N 3.16Å; F396-F405 HydrophobicContact CB-CB 4.42Å; F396-F405 PolarHBondContact N-O 2.96Å; F396-F405 PolarHBondContact O-N 2.85Å; F396-R407 VanDerWaalsContact CD2-C 3.45Å; F396-K408 HydrophobicContact CD1-CB 4.39Å; F396-K408 HydrophobicContact CE1-CB 4.2Å; F396-K408 HydrophobicContact CE2-CB 4.37Å; F396-K408 HydrophobicContact CZ-CB 4.19Å; F396-L411 HydrophobicContact CB-CB 4.25Å; F396-L411 HydrophobicContact CB-CD2 3.83Å
397G91.2Very high90.2Very high34 Ų3475.4 Ų75.435%0.35141%0.411SS..EExtended strand (participates in β ladder)trans-83.9151.5174.700000113.5K403 L411 R415G397-K403 CarbonylContact C-O 3.51Å; G397-L411 VanDerWaalsContact O-CD1 3.26Å; G397-L411 WeakPolarHBondContact O-CD1 3.49Å; G397-L411 VanDerWaalsContact O-CD2 3.22Å; G397-L411 WeakPolarHBondContact O-CD2 3.42Å; G397-R415 PolarHBondContact O-NH2 3.24Å
398C93.1Very high90.2Very high4 Ų480.5 Ų80.53%0.02743%0.427CS..  trans-84.8120160.6-167.30000109.6L400 C401 G402 K403 F405 L411 H414 H419C398-L400 PolarHBondContact O-N 3.2Å; C398-C401 PolarHBondContact O-N 3.07Å; C398-G402 VanDerWaalsContact O-CA 3.31Å; C398-G402 WeakPolarHBondContact O-CA 3.46Å; C398-G402 PolarHBondContact O-N 2.82Å; C398-K403 PolarHBondContact N-O 3.36Å; C398-F405 HydrophobicContact CB-CE2 4.37Å; C398-L411 HydrophobicContact CB-CD1 3.83Å; C398-H414 PolarHBondContact SG-NE2 2.81Å; C398-H419 VanDerWaalsContact SG-CD2 3.59Å
399D90.6Very high90.2Very high129 Ų12981.7 Ų81.769%0.6944%0.44SS*.THydrogen-bonded Turntrans-69.3-17.9-176.2-45.3-37.5000112R415D399-R415 IonicContact OD1-NH2 3.22Å; D399-R415 PolarHBondContact OD1-NH2 3.02Å; D399-R415 IonicContact OD2-CZ 3.16Å; D399-R415 IonicContact OD2-NH1 2.74Å; D399-R415 PolarHBondContact OD2-NH1 3.46Å; D399-R415 IonicContact OD2-NH2 2.72Å; D399-R415 PolarHBondContact OD2-NH2 2.71Å
400L89.4Confident90.4Very high108 Ų10876.4 Ų76.457%0.56542%0.418SS*.THydrogen-bonded Turntrans-91.8-30.7-179-63.7-179.8000114.4C398 H419 L421C398-L400 PolarHBondContact O-N 3.2Å; L400-H419 HydrophobicContact CD1-CB 3.54Å; L400-H419 VanDerWaalsContact CD1-CG 3.47Å; L400-L421 HydrophobicContact CD1-CD1 3.62Å; L400-L421 HydrophobicContact CD1-CG 4.47Å
401C92.4Very high90.6Very high52 Ų5272.3 Ų72.335%0.35140%0.4SS..THydrogen-bonded Turntrans-136.310.1-174.370.90000114.6C398 K403 H414 H419C398-C401 PolarHBondContact O-N 3.07Å; C401-K403 PolarHBondContact O-N 3.34Å; C401-H414 PolarHBondContact SG-NE2 2.95Å; C401-H419 PolarHBondContact SG-NE2 2.81Å; C401-H419 VanDerWaalsContact SG-NE2 3.42Å
402G87.2Confident90.8Very high64 Ų6474 Ų7466%0.6640%0.395SS*.  trans68.8-10.8176.900000116.2C398 G404C398-G402 VanDerWaalsContact O-CA 3.31Å; C398-G402 WeakPolarHBondContact O-CA 3.46Å; C398-G402 PolarHBondContact O-N 2.82Å; G402-G404 PolarHBondContact O-N 2.92Å
403K90.7Very high91.1Very high120 Ų12078.7 Ų78.752%0.52240%0.4SS..  trans-59.4125.8-175.8-70.9-179.6-179.7176.20111.5G397 C398 C401 F405G397-K403 CarbonylContact C-O 3.51Å; C398-K403 PolarHBondContact N-O 3.36Å; C401-K403 PolarHBondContact O-N 3.34Å; K403-F405 HydrophobicContact CB-CE2 3.83Å; K403-F405 HydrophobicContact CB-CZ 4.03Å; K403-F405 VanDerWaalsContact O-CD2 3.28Å; K403-F405 WeakPolarHBondContact O-CD2 3.44Å; K403-F405 WeakPolarHBondContact O-CE2 3.29Å
404G91.4Very high91.3Very high29 Ų2973.7 Ų73.730%0.29938%0.378SS..EExtended strand (participates in β ladder)trans-96.3136.1-177.700000114K394 G402K394-G404 VanDerWaalsContact CD-O 3.31Å; K394-G404 WeakPolarHBondContact CD-O 3.49Å; G402-G404 PolarHBondContact O-N 2.92Å
405F90.4Very high91.3Very high43 Ų4370.4 Ų70.419%0.18936%0.362CS..EExtended strand (participates in β ladder)trans-124.3150.7-175.9-60.4-89.2000112.7K394 F396 C398 K403 D410 L411 H414K394-F405 CarbonylContact C-O 3.39Å; K394-F405 WeakPolarHBondContact CA-O 3.25Å; F396-F405 HydrophobicContact CB-CB 4.42Å; F396-F405 PolarHBondContact N-O 2.96Å; F396-F405 PolarHBondContact O-N 2.85Å; C398-F405 HydrophobicContact CB-CE2 4.37Å; K403-F405 HydrophobicContact CB-CE2 3.83Å; K403-F405 HydrophobicContact CB-CZ 4.03Å; K403-F405 VanDerWaalsContact O-CD2 3.28Å; K403-F405 WeakPolarHBondContact O-CD2 3.44Å; K403-F405 WeakPolarHBondContact O-CE2 3.29Å; F405-D410 HydrophobicContact CB-CB 4.29Å; F405-D410 HydrophobicContact CD1-CB 3.82Å; F405-D410 HydrophobicContact CG-CB 4.37Å; F405-L411 HydrophobicContact CB-CB 4.21Å; F405-L411 HydrophobicContact CD2-CB 3.98Å; F405-L411 HydrophobicContact CD2-CD1 3.74Å; F405-L411 HydrophobicContact CD2-CG 4.48Å; F405-L411 HydrophobicContact CE2-CD1 3.98Å; F405-L411 HydrophobicContact CG-CB 4.19Å; F405-H414 HydrophobicContact CE1-CB 3.92Å; F405-H414 HydrophobicContact CE2-CB 4.07Å; F405-H414 AromaticContact CE2-CD2 3.39Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.46Å; F405-H414 AromaticContact CE2-CG 3.73Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.4Å; F405-H414 VanDerWaalsContact CZ-CD2 3.4Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.44Å; F405-H414 AromaticContact CZ-CG 3.24Å; F405-H414 AromaticContact CZ-ND1 3.78Å; F405-H414 AromaticContact CZ-NE2 3.99Å
406Q89.5Confident91.5Very high46 Ų4670.9 Ų70.922%0.21536%0.36CS..SBendtrans-82-24.5-180-69.5171.8-7.400113.6R388 K394R388-Q406 HydrophobicContact CB-CB 4.45Å; R388-Q406 HydrophobicContact CB-CG 4.2Å; R388-Q406 PolarHBondContact NH1-O 3.45Å; R388-Q406 PolarHBondContact O-NE2 3.22Å; K394-Q406 HydrophobicContact CG-CG 4.2Å
407R91.1Very high91.5Very high111 Ų11172.3 Ų72.342%0.41937%0.374SS..SBendtrans-132.5144.6-179.7-47.9-179.2-62.8164.74.5110.9T385 F396 V409 D410 L411T385-R407 HydrophobicContact CG2-CG 4.45Å; F396-R407 VanDerWaalsContact CD2-C 3.45Å; R407-V409 VanDerWaalsContact C-N 3.25Å; R407-V409 HydrophobicContact CB-CG2 3.98Å; R407-V409 PolarHBondContact O-N 3.23Å; R407-D410 WeakPolarHBondContact CB-OD2 3.35Å; R407-D410 IonicContact CZ-OD1 3.86Å; R407-D410 IonicContact CZ-OD2 2.72Å; R407-D410 IonicContact NE-OD1 3.84Å; R407-D410 IonicContact NE-OD2 2.76Å; R407-D410 PolarHBondContact NE-OD2 2.84Å; R407-D410 VanDerWaalsContact NH2-CG 3.32Å; R407-D410 IonicContact NH2-OD1 3.72Å; R407-D410 PolarHBondContact NH2-OD1 2.93Å; R407-D410 IonicContact NH2-OD2 3.35Å; R407-D410 PolarHBondContact NH2-OD2 2.9Å; R407-D410 VanDerWaalsContact NH2-OD2 3.13Å; R407-D410 PolarHBondContact O-N 2.81Å; R407-D410 VanDerWaalsContact O-N 3.11Å; R407-L411 PolarHBondContact O-N 3.13Å
408K91.6Very high91.4Very high152 Ų15276.5 Ų76.566%0.66138%0.384SS*.Hα-helixtrans-60.2-32.1177.8-171.3175.9-178.9179.40113.2F396 D410 L411 R412F396-K408 HydrophobicContact CD1-CB 4.39Å; F396-K408 HydrophobicContact CE1-CB 4.2Å; F396-K408 HydrophobicContact CE2-CB 4.37Å; F396-K408 HydrophobicContact CZ-CB 4.19Å; K408-D410 VanDerWaalsContact C-N 3.34Å; K408-D410 PolarHBondContact O-N 3.12Å; K408-L411 PolarHBondContact O-N 3.33Å; K408-R412 PolarHBondContact O-N 3.16Å
409V91.6Very high91.2Very high77 Ų7779.3 Ų79.347%0.46740%0.397SS..Hα-helixtrans-67.1-32176.7-64.80000113.1R407 R413R407-V409 VanDerWaalsContact C-N 3.25Å; R407-V409 HydrophobicContact CB-CG2 3.98Å; R407-V409 PolarHBondContact O-N 3.23Å; V409-R413 VanDerWaalsContact O-CB 3.31Å; V409-R413 WeakPolarHBondContact O-CB 3.48Å; V409-R413 PolarHBondContact O-N 2.96Å
410D92.3Very high90.8Very high27 Ų2776 Ų7614%0.14439%0.393CS..Hα-helixtrans-73.5-40.8176.3-61.5-49.4000110.6F405 R407 K408 R413 H414F405-D410 HydrophobicContact CB-CB 4.29Å; F405-D410 HydrophobicContact CD1-CB 3.82Å; F405-D410 HydrophobicContact CG-CB 4.37Å; R407-D410 WeakPolarHBondContact CB-OD2 3.35Å; R407-D410 IonicContact CZ-OD1 3.86Å; R407-D410 IonicContact CZ-OD2 2.72Å; R407-D410 IonicContact NE-OD1 3.84Å; R407-D410 IonicContact NE-OD2 2.76Å; R407-D410 PolarHBondContact NE-OD2 2.84Å; R407-D410 VanDerWaalsContact NH2-CG 3.32Å; R407-D410 IonicContact NH2-OD1 3.72Å; R407-D410 PolarHBondContact NH2-OD1 2.93Å; R407-D410 IonicContact NH2-OD2 3.35Å; R407-D410 PolarHBondContact NH2-OD2 2.9Å; R407-D410 VanDerWaalsContact NH2-OD2 3.13Å; R407-D410 PolarHBondContact O-N 2.81Å; R407-D410 VanDerWaalsContact O-N 3.11Å; K408-D410 VanDerWaalsContact C-N 3.34Å; K408-D410 PolarHBondContact O-N 3.12Å; D410-R413 IonicContact OD1-CZ 3.53Å; D410-R413 IonicContact OD1-NH2 2.79Å; D410-R413 PolarHBondContact OD1-NH2 3.34Å; D410-H414 VanDerWaalsContact O-CB 3.23Å; D410-H414 WeakPolarHBondContact O-CB 3.37Å; D410-H414 PolarHBondContact O-N 2.85Å
411L93.6Very high89.9Confident14 Ų1475 Ų757%0.07339%0.388CS..Hα-helixtrans-59.7-47.2171.4173.662.2000111.9F396 G397 C398 F405 R407 K408 H414 R415F396-L411 HydrophobicContact CB-CB 4.25Å; F396-L411 HydrophobicContact CB-CD2 3.83Å; G397-L411 VanDerWaalsContact O-CD1 3.26Å; G397-L411 WeakPolarHBondContact O-CD1 3.49Å; G397-L411 VanDerWaalsContact O-CD2 3.22Å; G397-L411 WeakPolarHBondContact O-CD2 3.42Å; C398-L411 HydrophobicContact CB-CD1 3.83Å; F405-L411 HydrophobicContact CB-CB 4.21Å; F405-L411 HydrophobicContact CD2-CB 3.98Å; F405-L411 HydrophobicContact CD2-CD1 3.74Å; F405-L411 HydrophobicContact CD2-CG 4.48Å; F405-L411 HydrophobicContact CE2-CD1 3.98Å; F405-L411 HydrophobicContact CG-CB 4.19Å; R407-L411 PolarHBondContact O-N 3.13Å; K408-L411 PolarHBondContact O-N 3.33Å; L411-H414 WeakPolarHBondContact O-CB 3.2Å; L411-H414 PolarHBondContact O-N 2.99Å; L411-R415 HydrophobicContact CD1-CG 4.21Å; L411-R415 WeakPolarHBondContact O-CG 3.34Å; L411-R415 PolarHBondContact O-N 3.07Å
412R92.9Very high88.3Confident140 Ų14084.2 Ų84.253%0.52842%0.422SS..Hα-helixtrans-62-51.4-179.7-164.8-16867.6-166.2-3.9110.7K408 H414 R415 E416K408-R412 PolarHBondContact O-N 3.16Å; R412-H414 PolarHBondContact O-N 3.27Å; R412-R415 PolarHBondContact O-N 3.04Å; R412-E416 VanDerWaalsContact CD-OE1 3.24Å; R412-E416 WeakPolarHBondContact CD-OE1 3.35Å; R412-E416 HydrophobicContact CG-CG 4.43Å; R412-E416 VanDerWaalsContact CG-OE1 3.31Å; R412-E416 WeakPolarHBondContact CG-OE1 3.43Å; R412-E416 IonicContact CZ-OE1 3.8Å; R412-E416 IonicContact NE-OE1 2.75Å; R412-E416 PolarHBondContact NE-OE1 2.87Å; R412-E416 IonicContact NH2-OE1 2.72Å; R412-E416 VanDerWaalsContact O-CG 3.32Å; R412-E416 WeakPolarHBondContact O-CG 3.42Å; R412-E416 PolarHBondContact O-N 2.79Å
413R93.4Very high88.4Confident139 Ų13985.2 Ų85.253%0.52541%0.41SS..Hα-helixtrans-54.5-40.8174.3175.317254.8158.7-2.4112.6V409 D410 E416 T417V409-R413 VanDerWaalsContact O-CB 3.31Å; V409-R413 WeakPolarHBondContact O-CB 3.48Å; V409-R413 PolarHBondContact O-N 2.96Å; D410-R413 IonicContact OD1-CZ 3.53Å; D410-R413 IonicContact OD1-NH2 2.79Å; D410-R413 PolarHBondContact OD1-NH2 3.34Å; R413-E416 WeakPolarHBondContact CA-OE2 3.42Å; R413-E416 PolarHBondContact O-N 2.79Å; R413-T417 HydrophobicContact CG-CG2 4.41Å; R413-T417 WeakPolarHBondContact O-CB 3.38Å; R413-T417 WeakPolarHBondContact O-CG2 3.4Å; R413-T417 PolarHBondContact O-N 3.46Å; R413-T417 PolarHBondContact O-OG1 3.12Å
414H92.6Very high88.3Confident17 Ų1783.4 Ų83.48%0.07940%0.404CS..Hα-helixtrans-65.1-42.2175.6165.668.4000112.7C398 C401 F405 D410 L411 R412 T417 Q418 H419C398-H414 PolarHBondContact SG-NE2 2.81Å; C401-H414 PolarHBondContact SG-NE2 2.95Å; F405-H414 HydrophobicContact CE1-CB 3.92Å; F405-H414 HydrophobicContact CE2-CB 4.07Å; F405-H414 AromaticContact CE2-CD2 3.39Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.46Å; F405-H414 AromaticContact CE2-CG 3.73Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.4Å; F405-H414 VanDerWaalsContact CZ-CD2 3.4Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.44Å; F405-H414 AromaticContact CZ-CG 3.24Å; F405-H414 AromaticContact CZ-ND1 3.78Å; F405-H414 AromaticContact CZ-NE2 3.99Å; D410-H414 VanDerWaalsContact O-CB 3.23Å; D410-H414 WeakPolarHBondContact O-CB 3.37Å; D410-H414 PolarHBondContact O-N 2.85Å; L411-H414 WeakPolarHBondContact O-CB 3.2Å; L411-H414 PolarHBondContact O-N 2.99Å; R412-H414 PolarHBondContact O-N 3.27Å; H414-T417 PolarHBondContact O-N 2.88Å; H414-Q418 WeakPolarHBondContact ND1-CG 3.08Å; H414-Q418 VanDerWaalsContact O-CB 3.24Å; H414-Q418 WeakPolarHBondContact O-CB 3.43Å; H414-Q418 WeakPolarHBondContact O-CG 3.38Å; H414-Q418 PolarHBondContact O-N 3.31Å; H414-H419 AromaticContact CE1-NE2 3.97Å; H414-H419 AromaticContact NE2-NE2 3.6Å
415R92.1Very high88.1Confident55 Ų5586.4 Ų86.421%0.20841%0.41CS..Hα-helixtrans-63.8-43.1174.3-69.5-179.6-169.4-143.1-0.6111.6G397 D399 L411 R412 H419 G420 L421G397-R415 PolarHBondContact O-NH2 3.24Å; D399-R415 IonicContact OD1-NH2 3.22Å; D399-R415 PolarHBondContact OD1-NH2 3.02Å; D399-R415 IonicContact OD2-CZ 3.16Å; D399-R415 IonicContact OD2-NH1 2.74Å; D399-R415 PolarHBondContact OD2-NH1 3.46Å; D399-R415 IonicContact OD2-NH2 2.72Å; D399-R415 PolarHBondContact OD2-NH2 2.71Å; L411-R415 HydrophobicContact CD1-CG 4.21Å; L411-R415 WeakPolarHBondContact O-CG 3.34Å; L411-R415 PolarHBondContact O-N 3.07Å; R412-R415 PolarHBondContact O-N 3.04Å; R415-H419 CarbonylContact O-C 3.58Å; R415-H419 WeakPolarHBondContact O-CA 3.34Å; R415-H419 WeakPolarHBondContact O-CB 3.41Å; R415-H419 PolarHBondContact O-N 3.2Å; R415-G420 PolarHBondContact O-N 3.17Å; R415-G420 VanDerWaalsContact O-N 3.12Å; R415-L421 CarbonylContact C-O 3.43Å; R415-L421 HydrophobicContact CB-CB 4.31Å; R415-L421 PolarHBondContact O-N 2.8Å
416E92.4Very high88Confident65 Ų6588.9 Ų88.930%0.30442%0.423SS..Hα-helixtrans-59.1-48.6175.4-69.2161.5-177.600111.4R412 R413 G420 L421R412-E416 VanDerWaalsContact CD-OE1 3.24Å; R412-E416 WeakPolarHBondContact CD-OE1 3.35Å; R412-E416 HydrophobicContact CG-CG 4.43Å; R412-E416 VanDerWaalsContact CG-OE1 3.31Å; R412-E416 WeakPolarHBondContact CG-OE1 3.43Å; R412-E416 IonicContact CZ-OE1 3.8Å; R412-E416 IonicContact NE-OE1 2.75Å; R412-E416 PolarHBondContact NE-OE1 2.87Å; R412-E416 IonicContact NH2-OE1 2.72Å; R412-E416 VanDerWaalsContact O-CG 3.32Å; R412-E416 WeakPolarHBondContact O-CG 3.42Å; R412-E416 PolarHBondContact O-N 2.79Å; R413-E416 WeakPolarHBondContact CA-OE2 3.42Å; R413-E416 PolarHBondContact O-N 2.79Å; E416-G420 WeakPolarHBondContact O-CA 3.18Å; E416-G420 PolarHBondContact O-N 2.95Å; E416-L421 VanDerWaalsContact CA-O 3.26Å; E416-L421 WeakPolarHBondContact CA-O 3.19Å; E416-L421 WeakPolarHBondContact CG-O 3.29Å; E416-L421 PolarHBondContact N-O 2.87Å
417T92.6Very high87.9Confident93 Ų9391.6 Ų91.657%0.57144%0.436SS*.Hα-helixtrans-90.8-19-17262.80000116R413 H414R413-T417 HydrophobicContact CG-CG2 4.41Å; R413-T417 WeakPolarHBondContact O-CB 3.38Å; R413-T417 WeakPolarHBondContact O-CG2 3.4Å; R413-T417 PolarHBondContact O-N 3.46Å; R413-T417 PolarHBondContact O-OG1 3.12Å; H414-T417 PolarHBondContact O-N 2.88Å
418Q87.8Confident87.7Confident121 Ų12190.3 Ų90.357%0.56544%0.437SS*.Hα-helixtrans-113.3-17-177.5-57.1-70.8-9400113.2H414H414-Q418 WeakPolarHBondContact ND1-CG 3.08Å; H414-Q418 VanDerWaalsContact O-CB 3.24Å; H414-Q418 WeakPolarHBondContact O-CB 3.43Å; H414-Q418 WeakPolarHBondContact O-CG 3.38Å; H414-Q418 PolarHBondContact O-N 3.31Å
419H89.1Confident87.4Confident64 Ų6485.9 Ų85.930%0.29642%0.421SS..Hα-helixtrans-131.71.3-177.6-55.1-53.6000113C398 L400 C401 H414 R415 L421C398-H419 VanDerWaalsContact SG-CD2 3.59Å; L400-H419 HydrophobicContact CD1-CB 3.54Å; L400-H419 VanDerWaalsContact CD1-CG 3.47Å; C401-H419 PolarHBondContact SG-NE2 2.81Å; C401-H419 VanDerWaalsContact SG-NE2 3.42Å; H414-H419 AromaticContact CE1-NE2 3.97Å; H414-H419 AromaticContact NE2-NE2 3.6Å; R415-H419 CarbonylContact O-C 3.58Å; R415-H419 WeakPolarHBondContact O-CA 3.34Å; R415-H419 WeakPolarHBondContact O-CB 3.41Å; R415-H419 PolarHBondContact O-N 3.2Å; H419-L421 HydrophobicContact CB-CG 4.27Å; H419-L421 PolarHBondContact O-N 2.95Å
420G82.4Confident87.1Confident59 Ų5986.6 Ų86.661%0.60842%0.417SS*.  trans66.83.3-179.900000115.2R415 E416 K422R415-G420 PolarHBondContact O-N 3.17Å; R415-G420 VanDerWaalsContact O-N 3.12Å; E416-G420 WeakPolarHBondContact O-CA 3.18Å; E416-G420 PolarHBondContact O-N 2.95Å; G420-K422 PolarHBondContact O-N 3.28Å
421L70.6Confident86.6Confident88 Ų8891.6 Ų91.646%0.46144%0.44SS..  trans-81.6117.6-175.7-65.8-177.7000110.7L400 R415 E416 H419L400-L421 HydrophobicContact CD1-CD1 3.62Å; L400-L421 HydrophobicContact CD1-CG 4.47Å; R415-L421 CarbonylContact C-O 3.43Å; R415-L421 HydrophobicContact CB-CB 4.31Å; R415-L421 PolarHBondContact O-N 2.8Å; E416-L421 VanDerWaalsContact CA-O 3.26Å; E416-L421 WeakPolarHBondContact CA-O 3.19Å; E416-L421 WeakPolarHBondContact CG-O 3.29Å; E416-L421 PolarHBondContact N-O 2.87Å; H419-L421 HydrophobicContact CB-CG 4.27Å; H419-L421 PolarHBondContact O-N 2.95Å
422K60.2Low86Confident244 Ų24498.6 Ų98.6100%1.06147%0.473SS*.  trans-900174.5-68.4-180178.5173.50111.7G420G420-K422 PolarHBondContact O-N 3.28Å

Retrieved 422 of 422 residues in 48.6 ms (Link to these results)