A0A087YDG5_POEFO Loading...

Iroquois homeobox 5a

AlphaFold DB , UniProt , Accession A0A087YDG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 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
1M44.7Very low46.7Very low242 Ų242164.6 Ų164.6100%1.19284%0.835SS**  0141.40-64.2163.282.900107.4
2A43.7Very low46.7Very low100 Ų100161 Ų16183%0.82684%0.836SS**PPolyproline II helixtrans-100.5144.8-179.600000110.9
3Y46.6Very low46.3Very low225 Ų225155.5 Ų155.588%0.88283%0.829SS**PPolyproline II helixtrans-91134.2170.2-79.1-94.9000109.8
4P60Low46Very low126 Ų126153.4 Ų153.482%0.81883%0.832SS**PPolyproline II helixtrans-74.2142.9174.830.7-33.7000111.4
5Q50Low46Very low184 Ų184154.5 Ų154.586%0.8684%0.837SS**PPolyproline II helixtrans-90.3152.5176.4-100.9-726.600112.3
6G44.8Very low45.9Very low54 Ų54150.4 Ų150.456%0.55783%0.83SS**  trans56.8111.5151.700000120
7Y44.5Very low45.4Very low243 Ų243152.1 Ų152.195%0.95384%0.836SS**  trans-129129.5135.2-98.1-83.6000109.6
8L43.4Very low44.8Very low165 Ų165155.4 Ų155.486%0.86484%0.836SS**  trans-97.9123.5-169.6-155161.5000108.9Q10L8-Q10 PolarHBondContact O-N 2.69Å
9Y41.6Very low44.3Very low202 Ų202152.7 Ų152.779%0.79283%0.83SS**  trans-72.8114.5-174.6-176.6-95.7000111.5P11Y9-P11 WeakPolarHBondContact O-CD 3.13Å
10Q46.6Very low43.9Very low170 Ų170151 Ų15179%0.79483%0.829SS**  trans-92.3115178.1-179.2-178.6-10.600110.4L8L8-Q10 PolarHBondContact O-N 2.69Å
11P48Very low43.9Very low100 Ų100148.8 Ų148.865%0.64982%0.821SS**PPolyproline II helixtrans-69.9138.9170.229.4-33.2000110.6Y9Y9-P11 WeakPolarHBondContact O-CD 3.13Å
12S46.8Very low43.5Very low121 Ų121142.1 Ų142.185%0.84681%0.805SS**PPolyproline II helixtrans-70.9149.2178.8-166.60000112
13A41.7Very low43.1Very low90 Ų90148.3 Ų148.374%0.74481%0.808SS**PPolyproline II helixtrans-70.3145.5-17200000113.7L15A13-L15 PolarHBondContact O-N 2.85Å
14S41.8Very low42.7Very low125 Ų125142.5 Ų142.587%0.87480%0.801SS**PPolyproline II helixtrans-66.4125.9170.8-48.40000110.9
15L45.5Very low41.6Very low171 Ų171141.9 Ų141.990%0.89580%0.795SS**  trans-105.6117.5177.2-154.278.8000111.7A13A13-L15 PolarHBondContact O-N 2.85Å
16A44.3Very low40.8Very low88 Ų88138.9 Ų138.973%0.72779%0.794SS**  trans22.3118.8161.800000119.9Y18A16-Y18 PolarHBondContact O-N 3.45Å
17L37.6Very low40.6Very low179 Ų179142.3 Ų142.394%0.93780%0.804SS**  trans-63.7117.3155.2-71.3168.6000109.6
18Y35.4Very low40.4Very low212 Ų212138.6 Ų138.683%0.83180%0.799SS**  trans-90.9111.7173-173-94.4000110.1A16A16-Y18 PolarHBondContact O-N 3.45Å
19S35Very low40.1Very low104 Ų104136.6 Ų136.673%0.72780%0.799SS**PPolyproline II helixtrans-60134.2-176.9-61.40000113
20C36.4Very low39.8Very low119 Ų119130.3 Ų130.380%0.80480%0.795SS**PPolyproline II helixtrans-70.9133.8175.3-550000111.4A22C20-A22 PolarHBondContact O-N 3.13Å
21P43.4Very low39.6Very low104 Ų104128.7 Ų128.768%0.67580%0.799SS**PPolyproline II helixtrans-67.4119.9164.7-17.231.2000110Y23P21-Y23 PolarHBondContact O-N 3.28Å
22A35.9Very low38.9Very low102 Ų102134.7 Ų134.784%0.84381%0.809SS**  trans-73.6106.1172.300000109.7C20 S24C20-A22 PolarHBondContact O-N 3.13Å; A22-S24 PolarHBondContact O-N 3.02Å
23Y36.9Very low38.3Very low230 Ų230133.1 Ų133.190%0.90280%0.795SS**  trans-71.8107.6170.3-106.1-95.2000109.4P21P21-Y23 PolarHBondContact O-N 3.28Å
24S37.8Very low37.9Very low103 Ų103137.1 Ų137.172%0.7280%0.798SS**  trans-65.3152.8175.1-166.90000111.4A22A22-S24 PolarHBondContact O-N 3.02Å
25T36.8Very low37.5Very low114 Ų114139 Ų13970%0.69979%0.793SS**  trans-77.1127.4175.4-1790000110.9V27T25-V27 PolarHBondContact O-N 3.27Å
26S32.3Very low37.2Very low120 Ų120138.2 Ų138.284%0.83979%0.789SS**  trans-8390.7174.9-62.80000110.6
27V41.1Very low36.8Very low126 Ų126137.8 Ų137.876%0.76479%0.792SS**  trans-86.6127.4165.2-69.30000110.3T25T25-V27 PolarHBondContact O-N 3.27Å
28I39.5Very low36.8Very low166 Ų166140.8 Ų140.885%0.85179%0.792SS**  trans-92.8119.8175.6-71.3170.4000108.9
29S37.1Very low36.9Very low123 Ų123136.5 Ų136.586%0.8679%0.793SS**  trans-162.3153.9156.5-83.40000110.3
30G36.2Very low37Very low69 Ų69137.1 Ų137.171%0.71180%0.797SS**  trans-82.8177.6-169.400000115.8
31P41.8Very low37.1Very low136 Ų136137.5 Ų137.588%0.88380%0.801SS**  trans-82.4134.5-172.932.3-34.8000113.4
32R33.7Very low36.7Very low226 Ų226135.4 Ų135.485%0.85380%0.798SS**  trans-155.699.9162.9-168.4162.8-176.292.17.6114.5
33T33.2Very low36.8Very low89 Ų89136.7 Ų136.755%0.54680%0.801SS.*  trans37.799.8139.765.60000120.5
34E34.2Very low36.9Very low173 Ų173129.6 Ų129.681%0.80879%0.79SS**  55157.4126.270.3-148.99800126
35E34.3Very low36.8Very low165 Ų165135 Ų13577%0.77180%0.801SS**  trans81.7142.2161.9-81.1-92.780.600123.1
36L37.5Very low37.1Very low155 Ų155134.1 Ų134.181%0.81281%0.805SS**  trans57.5134164.7-94.965000122.5
37G36.2Very low38.2Very low78 Ų78133.3 Ų133.380%0.80480%0.797SS**  trans160.780.4164.600000116.2
38R38.8Very low37.9Very low243 Ų243137.4 Ų137.492%0.91780%0.8SS**  trans-103.1118.9179.3-68.4165.767.4177.22.4112.2
39S36.9Very low37.7Very low122 Ų122134 Ų13485%0.85380%0.797SS**  trans171.9141.6146.8-79.10000109.5
40S38Very low37.5Very low117 Ų117131.7 Ų131.782%0.81879%0.793SS**  cis104.8142.520.1-165.70000114.1
41S38.4Very low37.7Very low127 Ų127133.9 Ų133.989%0.88880%0.797SS**  trans84.8133.4-168.3-161.30000115.1
42G34.4Very low37.5Very low60 Ų60133.8 Ų133.862%0.61979%0.794SS**  cis-162.2144.5-7.800000108.7
43S38.9Very low37.5Very low128 Ų128127.5 Ų127.590%0.89579%0.79SS**  54.2124.180.2-1610000113.8
44A37.2Very low37.7Very low82 Ų82132.4 Ų132.468%0.67880%0.804SS**  cis-166162-9.400000109.9
45F35.6Very low37.8Very low216 Ų216129.7 Ų129.795%0.94780%0.8SS**  trans-165.6110.9148.9-114.4-70.2000112.8
46A45Very low37.6Very low96 Ų96127.6 Ų127.679%0.79380%0.804SS**  trans-162.7126.8164.600000109
47P53.9Low37.4Very low102 Ų102125.1 Ų125.166%0.66281%0.805SS**  -136.8172.810832.8-17.2000110.8
48Y34.6Very low37.3Very low212 Ų212126.6 Ų126.683%0.83180%0.803SS**  cis-12715118.8-79.9-112.3000109.1
49A36.2Very low37.8Very low96 Ų96121.2 Ų121.279%0.79380%0.8SS**  71.7100.152.800000114.6
50G32.1Very low37.5Very low74 Ų74118.6 Ų118.676%0.76379%0.792SS**  trans172.1110.717300000116.5
51S41.1Very low37.3Very low115 Ų115123.8 Ų123.880%0.80480%0.795SS**  trans63.2100.3152.8-54.40000122.4
52T36.7Very low37Very low134 Ų134123.9 Ų123.982%0.82279%0.786SS**  9.2152.8115.9570000120.4
53A34.8Very low36.9Very low93 Ų93125.6 Ų125.677%0.76979%0.789SS**  cis-179.4157.9-14.200000109.7
54F36.8Very low36.6Very low192 Ų192128.5 Ų128.584%0.84279%0.787SS**  trans-162.1157.3134.6-166.7-110.2000110.9
55T36.2Very low36.9Very low116 Ų116131.6 Ų131.671%0.71279%0.792SS**  trans-128.7137.1-173.752.20000112.3
56S31Very low37.3Very low122 Ų122127.6 Ų127.685%0.85379%0.788SS**  trans-139.2150.5158.256.80000110.1
57A32.5Very low36.7Very low102 Ų102133.7 Ų133.784%0.84379%0.792SS**  trans-96.9158.5-157.900000114.9
58S34.8Very low35.5Very low110 Ų110134.4 Ų134.477%0.76980%0.799SS**  trans-69.3171162.2-43.40000111.4
59P48.2Very low35.5Very low130 Ų130128.1 Ų128.184%0.84479%0.791SS**  -150.8141.492.336.5-18.6000117.1
60G32Very low35.4Very low67 Ų67131.4 Ų131.469%0.69180%0.795SS**  trans81.9158.8155.800000117.5
61Y33.8Very low35.5Very low225 Ų225132 Ų13288%0.88279%0.794SS**  cis-146.1169.3-3.5-122.8-85.9000111.7
62N31.2Very low35.2Very low130 Ų130131.3 Ų131.370%0.69579%0.794SS**  trans-45.5140.2-175.7-79.5-65.5000116
63S32Very low35.2Very low96 Ų96129.9 Ų129.967%0.67180%0.796SS**  75.6112.356.8-49.50000114.6
64H33.8Very low35.4Very low188 Ų188130.4 Ų130.487%0.8780%0.8SS**  -167.9150.8120-128.5-92.7000113.7
65L41.8Very low35.7Very low148 Ų148125.9 Ų125.978%0.77580%0.798SS**  trans-93.4162.5159.7-66.7166.9000109
66P45.3Very low35.8Very low132 Ų132126.3 Ų126.386%0.85780%0.801SS**  -142.8176.399.537.7-23000115.5
67Y31.6Very low36.2Very low223 Ų223129.9 Ų129.988%0.87580%0.802SS**  trans-101.2145.5-174.7178.5-84.6000110.5
68S28.4Very low36.6Very low117 Ų117131.8 Ų131.882%0.81880%0.803SS**  trans174.5174.1134.5-154.30000112.1
69A34.8Very low37Very low80 Ų80132 Ų13266%0.66180%0.804SS**  trans-117169.5-161.100000116.1
70D35.1Very low36.9Very low165 Ų165135.7 Ų135.788%0.88280%0.803SS**  trans80.6170.3146.1-124.6-59000121.3
71A33Very low37.6Very low88 Ų88138.2 Ų138.273%0.72781%0.805SS**  trans72.8112.2165.300000119.8
72A35.5Very low37.9Very low99 Ų99133.6 Ų133.682%0.81881%0.805SS**  trans-60.7173.7171.100000116.6
73A36.2Very low38.1Very low104 Ų104132.3 Ų132.386%0.8681%0.807SS**  trans77.691156.300000119.2
74A39.5Very low39.1Very low104 Ų104133 Ų13386%0.8681%0.808SS**  trans-147.4129.2139.300000109.7
75A42.9Very low39.7Very low97 Ų97134.3 Ų134.380%0.80281%0.807SS**  trans-121.5113.6174.400000109.9
76T38Very low39.2Very low125 Ų125133.4 Ų133.477%0.76780%0.804SS**  trans-158.8130164.335.90000111.4
77F40.1Very low39.2Very low198 Ų198135.9 Ų135.987%0.86880%0.803SS**  trans34.3104.8147.5-67.5-93.1000119.4
78T40.5Very low40Very low142 Ų142130.6 Ų130.687%0.87179%0.794SS**  -136.9139.5113-1620000110.2
79S42.4Very low40.8Very low114 Ų114131.8 Ų131.880%0.79780%0.797SS**  trans-148.393.9176.5-177.70000108.4
80Y46.2Very low40.9Very low207 Ų207131.2 Ų131.281%0.81280%0.799SS**  trans-155.3149.5169.8-153.2-117.3000110.5
81V48.4Very low41.3Very low120 Ų120132.6 Ų132.673%0.72780%0.802SS**  trans46.685.5177-71.20000117.6S83V81-S83 PolarHBondContact O-N 3.14Å
82S39.3Very low41.7Very low128 Ų128133.3 Ų133.390%0.89581%0.808SS**  trans-60.8126.9155.2-55.10000110.7
83S35.5Very low42Very low104 Ų104131.8 Ų131.873%0.72780%0.802SS**  trans-99.5130.3165-172.80000109.3V81 Y85V81-S83 PolarHBondContact O-N 3.14Å; S83-Y85 VanDerWaalsContact C-N 3.33Å; S83-Y85 PolarHBondContact O-N 3.12Å
84P52.3Low42.2Very low109 Ų109133 Ų13371%0.70880%0.804SS**SBendtrans-85.110.8-162.533.6-37.7000116
85Y46.1Very low42.7Very low216 Ų216134.7 Ų134.785%0.84780%0.798SS**  trans-144.177.2179.5-88.8-79000113S83S83-Y85 VanDerWaalsContact C-N 3.33Å; S83-Y85 PolarHBondContact O-N 3.12Å
86D32.9Very low42.9Very low130 Ų130132.4 Ų132.470%0.69578%0.784SS**  trans-148.6136.1144.6-153.9-30.2000109.9
87H43.8Very low43.1Very low183 Ų183136.6 Ų136.685%0.84779%0.787SS**  trans-140.978.1-176.2-76.4-8.6000109.6
88T49.3Very low43.2Very low112 Ų112134.6 Ų134.669%0.68778%0.78SS**  trans-115.4146.2164.767.60000111
89T44.7Very low43.7Very low143 Ų143133.4 Ų133.488%0.87777%0.774SS**  trans68.2104.3162.8-44.10000117.7
90G36.8Very low44Very low68 Ų68138.6 Ų138.670%0.70178%0.778SS**  trans155.477.8152.100000120.1
91M43.2Very low44.1Very low193 Ų193132.9 Ų132.995%0.95177%0.774SS**  trans61.2173151-75.3-72-176.500119.5
92A42.4Very low43.8Very low103 Ų103130.9 Ų130.985%0.85177%0.77SS**  trans66149.7177.500000116.7
93G40.9Very low44.3Very low68 Ų68131.2 Ų131.270%0.70177%0.769SS**  trans-90.2150.8-170.400000113.8I95G93-I95 VanDerWaalsContact C-N 3.33Å; G93-I95 PolarHBondContact O-N 3.45Å
94S42.1Very low45.1Very low129 Ų129134.2 Ų134.290%0.90278%0.776SS**  trans-67.188.3168.6-1750000110.8G96S94-G96 PolarHBondContact O-N 3.34Å
95I48.1Very low44.8Very low140 Ų140132 Ų13272%0.71877%0.774SS**  trans-75108.1156.4-69.8-177.4000106.5G93 Y97G93-I95 VanDerWaalsContact C-N 3.33Å; G93-I95 PolarHBondContact O-N 3.45Å; I95-Y97 PolarHBondContact O-N 3.09Å
96G47.6Very low44.9Very low49 Ų49128.9 Ų128.951%0.50578%0.777SS.*  trans-61.8107.3170.900000110S94 H98S94-G96 PolarHBondContact O-N 3.34Å; G96-H98 PolarHBondContact O-N 3.14Å
97Y42.1Very low45.8Very low213 Ų213132.5 Ų132.584%0.83578%0.782SS**  trans-67.791.1177.6-109.4-100.1000110.3I95 P99I95-Y97 PolarHBondContact O-N 3.09Å; Y97-P99 VanDerWaalsContact O-CD 3.3Å; Y97-P99 WeakPolarHBondContact O-CD 3.48Å
98H43.7Very low46.4Very low156 Ų156129 Ų12972%0.72278%0.776SS**  trans-9799.4165.7-73.2-69.7000108.9G96 Y100 A101G96-H98 PolarHBondContact O-N 3.14Å; H98-Y100 PolarHBondContact O-N 3.2Å; H98-A101 PolarHBondContact O-N 3.42Å
99P50.4Low46.6Very low116 Ų116134.2 Ų134.275%0.75378%0.784SS**THydrogen-bonded Turntrans-74.526.8-170.132.4-38.5000114.8Y97Y97-P99 VanDerWaalsContact O-CD 3.3Å; Y97-P99 WeakPolarHBondContact O-CD 3.48Å
100Y48Very low47Very low223 Ų223130.8 Ų130.888%0.87578%0.777SS**THydrogen-bonded Turntrans-139.28.2179.6-104.9-85.4000114.3H98 A102H98-Y100 PolarHBondContact O-N 3.2Å; Y100-A102 PolarHBondContact O-N 2.97Å
101A47.7Very low47.7Very low87 Ų87131.2 Ų131.272%0.71976%0.764SS**  trans-81.898.9173.600000110.9H98H98-A101 PolarHBondContact O-N 3.42Å
102A43.1Very low48.5Very low79 Ų79126.9 Ų126.965%0.65375%0.75SS**  trans-66153177.500000112.6Y100 L104Y100-A102 PolarHBondContact O-N 2.97Å; A102-L104 PolarHBondContact O-N 3.25Å
103P50.2Low49.2Very low134 Ų134125.8 Ų125.887%0.8774%0.741SS**  trans-79.178.4-16732.4-37.4000113.6
104L51.5Low49.7Very low167 Ų167131.2 Ų131.287%0.87474%0.742SS**  trans-111.194.2169.9-70.7180000111.8A102A102-L104 PolarHBondContact O-N 3.25Å
105G45.4Very low50.3Low64 Ų64134.5 Ų134.566%0.6673%0.734SS**  trans60.495.5153.800000117.5Y107G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 PolarHBondContact O-N 3.46Å
106T48.9Very low51.1Low149 Ų149136.1 Ų136.191%0.91474%0.736SS**  trans-61.991159.2-530000109.8
107Y52.1Low52Low206 Ų206140 Ų14081%0.80875%0.745SS**  trans-59.6134.1176.4-114.3-95.7000110.2G105 Y109G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 PolarHBondContact O-N 3.46Å; Y107-Y109 PolarHBondContact O-N 2.98Å
108P56.9Low53.7Low110 Ų110131.8 Ų131.871%0.71472%0.722SS**SBendtrans-77.752.3-177.232.9-37000112.6G110P108-G110 VanDerWaalsContact C-N 3.28Å; P108-G110 PolarHBondContact O-N 3.34Å
109Y52.5Low55.7Low221 Ų221128.4 Ų128.487%0.86771%0.712SS**THydrogen-bonded Turntrans-83.8-2.8179.3-156.3-100.3000113.2Y107Y107-Y109 PolarHBondContact O-N 2.98Å
110G53.5Low57.5Low71 Ų71132.4 Ų132.473%0.73271%0.712SS**THydrogen-bonded Turntrans-91.7-10-176.100000116.1P108 P112P108-G110 VanDerWaalsContact C-N 3.28Å; P108-G110 PolarHBondContact O-N 3.34Å; G110-P112 WeakPolarHBondContact O-CD 3.49Å
111D50.7Low59.6Low77 Ų77126 Ų12641%0.41269%0.693SS.*  trans-67.9119.3-173-177.43.2000112.3A113 Y114D111-A113 PolarHBondContact O-N 3.38Å; D111-A113 WeakPolarHBondContact OD1-CB 3.36Å; D111-A113 PolarHBondContact OD1-N 3.41Å; D111-Y114 PolarHBondContact O-N 3.45Å; D111-Y114 VanDerWaalsContact O-N 3.12Å
112P60Low61.9Low103 Ų103122.1 Ų122.167%0.66966%0.661SS**G310 helixtrans-56.8-30.2173.3-24.435.5000113.8G110 Y114 R115G110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-Y114 PolarHBondContact O-N 3.1Å; P112-R115 WeakPolarHBondContact O-CB 3.41Å; P112-R115 PolarHBondContact O-N 3.3Å; P112-R115 VanDerWaalsContact O-N 3.08Å
113A57.2Low64.3Low80 Ų80119.8 Ų119.866%0.66164%0.639SS**G310 helixtrans-69-20.4179.200000113.2D111 R115D111-A113 PolarHBondContact O-N 3.38Å; D111-A113 WeakPolarHBondContact OD1-CB 3.36Å; D111-A113 PolarHBondContact OD1-N 3.41Å; A113-R115 VanDerWaalsContact C-N 3.29Å
114Y52.5Low66.6Low181 Ų181115.9 Ų115.971%0.7162%0.618SS**G310 helixtrans-77.3-12.9171.8-106-95.3000113.5D111 P112 K116D111-Y114 PolarHBondContact O-N 3.45Å; D111-Y114 VanDerWaalsContact O-N 3.12Å; P112-Y114 PolarHBondContact O-N 3.1Å; Y114-K116 PolarHBondContact O-N 3.28Å
115R54.8Low68.7Low198 Ų198110 Ų11075%0.74759%0.589SS**SBendtrans-74.3117.1166.7-62.5-166.2178.4-138.7-0.8108.4P112 A113 N117P112-R115 WeakPolarHBondContact O-CB 3.41Å; P112-R115 PolarHBondContact O-N 3.3Å; P112-R115 VanDerWaalsContact O-N 3.08Å; A113-R115 VanDerWaalsContact C-N 3.29Å; R115-N117 PolarHBondContact O-N 3.15Å; R115-N117 PolarHBondContact O-OD1 3.38Å
116K63.5Low71.2Confident174 Ų174107 Ų10776%0.75756%0.557SS**  trans-80.261.7-170.5-55.5-172.8-176.4-176.30111.7Y114 A118Y114-K116 PolarHBondContact O-N 3.28Å; K116-A118 PolarHBondContact O-N 2.81Å
117N67.8Low73.5Confident130 Ų130106 Ų10670%0.69554%0.541SS*.PPolyproline II helixtrans-59.3126.6170.6-6435.5000108.2R115 T119R115-N117 PolarHBondContact O-N 3.15Å; R115-N117 PolarHBondContact O-OD1 3.38Å; N117-T119 PolarHBondContact O-N 3.33Å
118A76.7Confident75.6Confident42 Ų4299.1 Ų99.135%0.34753%0.526SS..PPolyproline II helixtrans-60.3132.7168.300000108.4K116 M153K116-A118 PolarHBondContact O-N 2.81Å; A118-M153 HydrophobicContact CB-CE 4.07Å; A118-M153 HydrophobicContact CB-SD 3.81Å
119T86.7Confident77.6Confident85 Ų8594.5 Ų94.552%0.52149%0.494SS..PPolyproline II helixtrans-62.3155.9-177.965.90000110.4N117 D121 A122 T123N117-T119 PolarHBondContact O-N 3.33Å; T119-D121 PolarHBondContact O-N 2.85Å; T119-A122 PolarHBondContact O-N 3.43Å; T119-A122 WeakPolarHBondContact OG1-CB 3.42Å; T119-A122 PolarHBondContact OG1-N 3.35Å; T119-T123 WeakPolarHBondContact O-CB 3.31Å; T119-T123 PolarHBondContact O-N 3.13Å; T119-T123 PolarHBondContact O-OG1 3.04Å
120R88.8Confident79.7Confident200 Ų20084.7 Ų84.776%0.75546%0.457SS*.Hα-helixtrans-53-42.9177.6-175.1-163.966.4-172.9-4.6110.8T123 A124R120-T123 CarbonylContact O-C 3.55Å; R120-T123 WeakPolarHBondContact O-CB 3.36Å; R120-T123 PolarHBondContact O-N 3.13Å; R120-A124 PolarHBondContact O-N 2.9Å
121D91.4Very high81.6Confident88 Ų8887 Ų8747%0.47145%0.452SS..Hα-helixtrans-79.6-37.1-172.2-45-44.1000111.4T119 T123 A124 T125T119-D121 PolarHBondContact O-N 2.85Å; D121-T123 VanDerWaalsContact C-N 3.26Å; D121-T123 PolarHBondContact O-N 3.07Å; D121-A124 WeakPolarHBondContact O-CA 3.34Å; D121-A124 WeakPolarHBondContact O-CB 3.43Å; D121-A124 PolarHBondContact O-N 3.42Å; D121-T125 PolarHBondContact O-N 3.42Å; D121-T125 PolarHBondContact O-OG1 3.07Å
122A94.9Very high83.8Confident6 Ų690.1 Ų90.15%0.0547%0.465CS..Hα-helixtrans-57.1-42.1166.100000111.6T119 A124 T125 L126 T151 M153T119-A122 PolarHBondContact O-N 3.43Å; T119-A122 WeakPolarHBondContact OG1-CB 3.42Å; T119-A122 PolarHBondContact OG1-N 3.35Å; A122-A124 VanDerWaalsContact C-N 3.29Å; A122-A124 PolarHBondContact O-N 2.91Å; A122-T125 PolarHBondContact O-N 3.42Å; A122-L126 WeakPolarHBondContact O-CG 3.41Å; A122-L126 PolarHBondContact O-N 2.75Å; A122-T151 HydrophobicContact CB-CG2 4.11Å; A122-T151 WeakPolarHBondContact O-CG2 3.44Å; A122-M153 HydrophobicContact CB-SD 4.33Å
123T95.1Very high85.4Confident30 Ų3087.8 Ų87.818%0.18445%0.445CS..Hα-helixtrans-68.8-28176.1-53.70000112.1T119 R120 D121 K127 W161T119-T123 WeakPolarHBondContact O-CB 3.31Å; T119-T123 PolarHBondContact O-N 3.13Å; T119-T123 PolarHBondContact O-OG1 3.04Å; R120-T123 CarbonylContact O-C 3.55Å; R120-T123 WeakPolarHBondContact O-CB 3.36Å; R120-T123 PolarHBondContact O-N 3.13Å; D121-T123 VanDerWaalsContact C-N 3.26Å; D121-T123 PolarHBondContact O-N 3.07Å; T123-K127 HydrophobicContact CG2-CD 4.46Å; T123-K127 WeakPolarHBondContact O-CB 3.37Å; T123-K127 VanDerWaalsContact O-CG 3.27Å; T123-K127 WeakPolarHBondContact O-CG 3.34Å; T123-K127 PolarHBondContact O-N 3.08Å; T123-W161 HydrophobicContact CG2-CZ2 4.12Å
124A96.9Very high87.1Confident51 Ų5188.5 Ų88.542%0.42143%0.43SS..Hα-helixtrans-68.4-45.7174.100000111.3R120 D121 A122 L126 K127 A128R120-A124 PolarHBondContact O-N 2.9Å; D121-A124 WeakPolarHBondContact O-CA 3.34Å; D121-A124 WeakPolarHBondContact O-CB 3.43Å; D121-A124 PolarHBondContact O-N 3.42Å; A122-A124 VanDerWaalsContact C-N 3.29Å; A122-A124 PolarHBondContact O-N 2.91Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-L126 PolarHBondContact O-N 2.98Å; A124-K127 WeakPolarHBondContact O-CB 3.42Å; A124-K127 PolarHBondContact O-N 3.48Å; A124-K127 VanDerWaalsContact O-N 3.16Å; A124-A128 PolarHBondContact O-N 3.19Å
125T97.5Very high88.9Confident44 Ų4489.6 Ų89.627%0.2744%0.439SS..Hα-helixtrans-57.1-45.7173.8-50.30000111.9D121 A122 K127 A128 W129 L147 I150 T151D121-T125 PolarHBondContact O-N 3.42Å; D121-T125 PolarHBondContact O-OG1 3.07Å; A122-T125 PolarHBondContact O-N 3.42Å; T125-K127 VanDerWaalsContact C-N 3.32Å; T125-K127 PolarHBondContact O-N 3.23Å; T125-A128 PolarHBondContact O-N 3.42Å; T125-W129 PolarHBondContact O-N 2.98Å; T125-W129 VanDerWaalsContact O-N 3.11Å; T125-L147 HydrophobicContact CG2-CD2 3.93Å; T125-I150 HydrophobicContact CG2-CG2 3.85Å; T125-T151 HydrophobicContact CG2-CG2 4.5Å
126L97.6Very high90.7Very high0 Ų084.7 Ų84.70%043%0.427CS..Hα-helixtrans-64.9-34.2178.4-65.3170.3000112.6A122 A124 L130 L147 T151 M153 V158 W161 F162A122-L126 WeakPolarHBondContact O-CG 3.41Å; A122-L126 PolarHBondContact O-N 2.75Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-L126 PolarHBondContact O-N 2.98Å; L126-L130 VanDerWaalsContact O-CB 3.24Å; L126-L130 WeakPolarHBondContact O-CB 3.38Å; L126-L130 PolarHBondContact O-N 3Å; L126-L147 HydrophobicContact CD2-CB 4.31Å; L126-T151 HydrophobicContact CD1-CG2 4.27Å; L126-T151 HydrophobicContact CD2-CG2 4.06Å; L126-T151 HydrophobicContact CG-CG2 3.84Å; L126-M153 HydrophobicContact CD1-CE 4.2Å; L126-M153 HydrophobicContact CD1-SD 3.85Å; L126-V158 HydrophobicContact CD2-CG1 4.14Å; L126-W161 HydrophobicContact CB-CD2 4.08Å; L126-W161 HydrophobicContact CB-CE3 3.9Å; L126-W161 HydrophobicContact CB-CH2 3.66Å; L126-W161 HydrophobicContact CB-CZ2 3.8Å; L126-W161 HydrophobicContact CB-CZ3 3.71Å; L126-W161 HydrophobicContact CD1-CB 4.47Å; L126-W161 HydrophobicContact CD1-CD2 3.81Å; L126-W161 HydrophobicContact CD1-CE3 4.29Å; L126-W161 HydrophobicContact CD1-CG 3.87Å; L126-W161 HydrophobicContact CG-CD2 4.47Å; L126-F162 HydrophobicContact CD2-CE2 3.6Å; L126-F162 HydrophobicContact CD2-CZ 4.01Å
127K95.9Very high92.2Very high130 Ų13076.5 Ų76.557%0.56539%0.392SS*.Hα-helixtrans-71-39.1172.8-77.6173.2174.2-175.90112.7T123 A124 T125 L130 N131 W161T123-K127 HydrophobicContact CG2-CD 4.46Å; T123-K127 WeakPolarHBondContact O-CB 3.37Å; T123-K127 VanDerWaalsContact O-CG 3.27Å; T123-K127 WeakPolarHBondContact O-CG 3.34Å; T123-K127 PolarHBondContact O-N 3.08Å; A124-K127 WeakPolarHBondContact O-CB 3.42Å; A124-K127 PolarHBondContact O-N 3.48Å; A124-K127 VanDerWaalsContact O-N 3.16Å; T125-K127 VanDerWaalsContact C-N 3.32Å; T125-K127 PolarHBondContact O-N 3.23Å; K127-L130 PolarHBondContact O-N 3.43Å; K127-N131 WeakPolarHBondContact O-CB 3.21Å; K127-N131 PolarHBondContact O-N 3.15Å; K127-W161 HydrophobicContact CG-CH2 4.17Å; K127-W161 HydrophobicContact CG-CZ2 4.24Å
128A97.1Very high93.6Very high61 Ų6176.6 Ų76.650%0.50438%0.383SS..Hα-helixtrans-62.2-53.317900000110.8A124 T125 L130 N131 E132A124-A128 PolarHBondContact O-N 3.19Å; T125-A128 PolarHBondContact O-N 3.42Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3.13Å; A128-N131 WeakPolarHBondContact O-CA 3.49Å; A128-N131 WeakPolarHBondContact O-CB 3.23Å; A128-N131 PolarHBondContact O-N 2.96Å; A128-E132 PolarHBondContact O-N 3.15Å
129W97.8Very high94.6Very high12 Ų1275.3 Ų75.35%0.04537%0.371CS..Hα-helixtrans-58.6-38.6175.2-174.692.9000111.9T125 N131 E132 H133 P137 P139 E143 L147 F162T125-W129 PolarHBondContact O-N 2.98Å; T125-W129 VanDerWaalsContact O-N 3.11Å; W129-N131 VanDerWaalsContact C-N 3.27Å; W129-N131 PolarHBondContact O-N 3.49Å; W129-E132 PolarHBondContact O-N 2.99Å; W129-H133 AromaticContact CD1-CE1 3.77Å; W129-H133 AromaticContact CD1-ND1 3.63Å; W129-H133 HydrophobicContact CD2-CB 4.3Å; W129-H133 AromaticContact CD2-CG 4Å; W129-H133 AromaticContact CD2-ND1 3.61Å; W129-H133 AromaticContact CE2-CD2 4Å; W129-H133 AromaticContact CE2-CE1 3.63Å; W129-H133 AromaticContact CE2-CG 3.5Å; W129-H133 VanDerWaalsContact CE2-CG 3.5Å; W129-H133 AromaticContact CE2-ND1 3.24Å; W129-H133 HydrophobicContact CE3-CB 4.08Å; W129-H133 AromaticContact CG-ND1 3.85Å; W129-H133 HydrophobicContact CH2-CB 3.49Å; W129-H133 VanDerWaalsContact CH2-CB 3.49Å; W129-H133 AromaticContact CH2-CG 3.6Å; W129-H133 HydrophobicContact CZ2-CB 3.76Å; W129-H133 AromaticContact CZ2-CD2 3.54Å; W129-H133 AromaticContact CZ2-CE1 3.96Å; W129-H133 AromaticContact CZ2-CG 3.28Å; W129-H133 AromaticContact CZ2-ND1 3.57Å; W129-H133 AromaticContact CZ2-NE2 3.97Å; W129-H133 HydrophobicContact CZ3-CB 3.68Å; W129-H133 AromaticContact NE1-CE1 3.29Å; W129-H133 PolarHBondContact NE1-CE1 3.27Å; W129-H133 VanDerWaalsContact NE1-CE1 3.29Å; W129-H133 AromaticContact NE1-CG 3.98Å; W129-H133 AromaticContact NE1-ND1 3.31Å; W129-H133 PolarHBondContact NE1-ND1 3.49Å; W129-H133 AromaticContact NE1-NE2 3.94Å; W129-H133 WeakPolarHBondContact O-CB 3.44Å; W129-H133 PolarHBondContact O-N 3.44Å; W129-H133 PolarHBondContact O-ND1 3.02Å; W129-H133 VanDerWaalsContact O-ND1 3.15Å; W129-P137 HydrophobicContact CZ3-CB 4.45Å; W129-P139 VanDerWaalsContact CH2-CA 3.47Å; W129-P139 HydrophobicContact CH2-CB 3.62Å; W129-P139 VanDerWaalsContact CH2-CD 3.5Å; W129-P139 HydrophobicContact CH2-CG 4.08Å; W129-P139 VanDerWaalsContact CH2-N 3.32Å; W129-P139 VanDerWaalsContact CZ2-CA 3.5Å; W129-P139 HydrophobicContact CZ2-CB 3.57Å; W129-P139 HydrophobicContact CZ2-CG 4.5Å; W129-P139 HydrophobicContact CZ3-CB 4.11Å; W129-P139 HydrophobicContact CZ3-CG 4.2Å; W129-E143 VanDerWaalsContact CE2-OE1 3.28Å; W129-E143 VanDerWaalsContact CZ2-OE1 3.27Å; W129-E143 WeakPolarHBondContact CZ2-OE1 3.48Å; W129-E143 PolarHBondContact NE1-OE1 3.44Å; W129-L147 HydrophobicContact CB-CD1 4.36Å; W129-L147 HydrophobicContact CB-CD2 4.14Å; W129-L147 HydrophobicContact CD2-CD1 4.08Å; W129-L147 HydrophobicContact CG-CD1 3.89Å; W129-L147 HydrophobicContact CG-CD2 4.35Å; W129-F162 HydrophobicContact CD2-CE1 4.45Å; W129-F162 HydrophobicContact CD2-CZ 4.16Å; W129-F162 HydrophobicContact CE3-CD1 4.35Å; W129-F162 AromaticContact CE3-CE1 3.33Å; W129-F162 HydrophobicContact CE3-CE1 3.33Å; W129-F162 AromaticContact CE3-CZ 3.43Å; W129-F162 HydrophobicContact CE3-CZ 3.43Å; W129-F162 VanDerWaalsContact CE3-CZ 3.43Å; W129-F162 HydrophobicContact CZ3-CD1 4.19Å; W129-F162 AromaticContact CZ3-CE1 3.58Å; W129-F162 HydrophobicContact CZ3-CE1 3.58Å; W129-F162 HydrophobicContact CZ3-CZ 4.01Å
130L96.3Very high95.2Very high16 Ų1675.1 Ų75.18%0.08437%0.371CS..Hα-helixtrans-65.7-28.1175.7-173.470.5000113.1L126 K127 A128 R134 P137 W161 F162 A165 L169L126-L130 VanDerWaalsContact O-CB 3.24Å; L126-L130 WeakPolarHBondContact O-CB 3.38Å; L126-L130 PolarHBondContact O-N 3Å; K127-L130 PolarHBondContact O-N 3.43Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3.13Å; L130-R134 WeakPolarHBondContact O-CD 3.45Å; L130-R134 WeakPolarHBondContact O-CG 3.42Å; L130-P137 HydrophobicContact CD1-CB 3.49Å; L130-P137 VanDerWaalsContact CD1-CB 3.49Å; L130-P137 HydrophobicContact CD1-CG 4.5Å; L130-W161 HydrophobicContact CD2-CH2 4.1Å; L130-W161 HydrophobicContact CD2-CZ3 4.13Å; L130-F162 HydrophobicContact CB-CE1 4.2Å; L130-F162 HydrophobicContact CD1-CD1 4.13Å; L130-F162 HydrophobicContact CD1-CE1 4Å; L130-A165 HydrophobicContact CD2-CB 3.92Å; L130-L169 HydrophobicContact CD1-CD2 4.11Å; L130-L169 HydrophobicContact CD2-CD1 4.21Å; L130-L169 HydrophobicContact CD2-CD2 4.12Å; L130-L169 HydrophobicContact CG-CD2 4.21Å
131N94.4Very high95.6Very high118 Ų11874.3 Ų74.363%0.63137%0.372SS*.Hα-helixtrans-84-27.7177.9-168.175.9000113.2K127 A128 W129 R134K127-N131 WeakPolarHBondContact O-CB 3.21Å; K127-N131 PolarHBondContact O-N 3.15Å; A128-N131 WeakPolarHBondContact O-CA 3.49Å; A128-N131 WeakPolarHBondContact O-CB 3.23Å; A128-N131 PolarHBondContact O-N 2.96Å; W129-N131 VanDerWaalsContact C-N 3.27Å; W129-N131 PolarHBondContact O-N 3.49Å; N131-R134 WeakPolarHBondContact O-CG 3.35Å
132E96.7Very high95.9Very high143 Ų14372.3 Ų72.367%0.66837%0.373SS*.Hα-helixtrans-70-51.7167.8-176.5-179-15800110A128 W129 R134A128-E132 PolarHBondContact O-N 3.15Å; W129-E132 PolarHBondContact O-N 2.99Å; E132-R134 PolarHBondContact O-N 3.32Å
133H94.7Very high96.1Very high54 Ų5473.9 Ų73.925%0.2538%0.379CS..SBendtrans-86.841.3-174.3-66.277.6000113.4W129 K135 N136 P137 E143W129-H133 AromaticContact CD1-CE1 3.77Å; W129-H133 AromaticContact CD1-ND1 3.63Å; W129-H133 HydrophobicContact CD2-CB 4.3Å; W129-H133 AromaticContact CD2-CG 4Å; W129-H133 AromaticContact CD2-ND1 3.61Å; W129-H133 AromaticContact CE2-CD2 4Å; W129-H133 AromaticContact CE2-CE1 3.63Å; W129-H133 AromaticContact CE2-CG 3.5Å; W129-H133 VanDerWaalsContact CE2-CG 3.5Å; W129-H133 AromaticContact CE2-ND1 3.24Å; W129-H133 HydrophobicContact CE3-CB 4.08Å; W129-H133 AromaticContact CG-ND1 3.85Å; W129-H133 HydrophobicContact CH2-CB 3.49Å; W129-H133 VanDerWaalsContact CH2-CB 3.49Å; W129-H133 AromaticContact CH2-CG 3.6Å; W129-H133 HydrophobicContact CZ2-CB 3.76Å; W129-H133 AromaticContact CZ2-CD2 3.54Å; W129-H133 AromaticContact CZ2-CE1 3.96Å; W129-H133 AromaticContact CZ2-CG 3.28Å; W129-H133 AromaticContact CZ2-ND1 3.57Å; W129-H133 AromaticContact CZ2-NE2 3.97Å; W129-H133 HydrophobicContact CZ3-CB 3.68Å; W129-H133 AromaticContact NE1-CE1 3.29Å; W129-H133 PolarHBondContact NE1-CE1 3.27Å; W129-H133 VanDerWaalsContact NE1-CE1 3.29Å; W129-H133 AromaticContact NE1-CG 3.98Å; W129-H133 AromaticContact NE1-ND1 3.31Å; W129-H133 PolarHBondContact NE1-ND1 3.49Å; W129-H133 AromaticContact NE1-NE2 3.94Å; W129-H133 WeakPolarHBondContact O-CB 3.44Å; W129-H133 PolarHBondContact O-N 3.44Å; W129-H133 PolarHBondContact O-ND1 3.02Å; W129-H133 VanDerWaalsContact O-ND1 3.15Å; H133-K135 VanDerWaalsContact C-N 3.32Å; H133-K135 PolarHBondContact O-N 2.93Å; H133-N136 CarbonylContact O-C 3.22Å; H133-N136 PolarHBondContact O-N 2.93Å; H133-P137 VanDerWaalsContact O-CA 3.31Å; H133-P137 WeakPolarHBondContact O-CA 3.2Å; H133-P137 WeakPolarHBondContact O-CB 3.25Å; H133-P137 WeakPolarHBondContact O-CD 3.31Å; H133-E143 IonicContact CE1-OE1 3.76Å; H133-E143 IonicContact NE2-OE1 3.54Å
134R92.9Very high96.2Very high96 Ų9674.8 Ų74.836%0.36238%0.38SS..SBendtrans-71.4-20-174.1-69.9-79-84.61330.6114.7L130 N131 E132 K174 M175L130-R134 WeakPolarHBondContact O-CD 3.45Å; L130-R134 WeakPolarHBondContact O-CG 3.42Å; N131-R134 WeakPolarHBondContact O-CG 3.35Å; E132-R134 PolarHBondContact O-N 3.32Å; R134-K174 VanDerWaalsContact CZ-O 3.25Å; R134-K174 PolarHBondContact NH1-O 2.93Å; R134-K174 PolarHBondContact NH2-O 3.05Å; R134-M175 PolarHBondContact NH1-SD 3.46Å; R134-M175 WeakPolarHBondContact O-CE 3Å
135K89.9Confident96.3Very high203 Ų20376.2 Ų76.288%0.88338%0.38SS*.SBendtrans-80.1-35.1171.5-66-175.1178.1-1760112.2H133H133-K135 VanDerWaalsContact C-N 3.32Å; H133-K135 PolarHBondContact O-N 2.93Å
136N92.1Very high96.3Very high96 Ų9678.7 Ų78.751%0.51339%0.39SS..  trans-145.678.5-179.3-17518.5000112.5H133 Y138H133-N136 CarbonylContact O-C 3.22Å; H133-N136 PolarHBondContact O-N 2.93Å; N136-Y138 PolarHBondContact O-N 3.27Å; N136-Y138 WeakPolarHBondContact OD1-CD2 3.22Å
137P95.4Very high96.3Very high1 Ų178.9 Ų78.91%0.00639%0.391CS..  trans-76.146.7-175.829.3-37.8000114.3W129 L130 H133 R166 M175 W177W129-P137 HydrophobicContact CZ3-CB 4.45Å; L130-P137 HydrophobicContact CD1-CB 3.49Å; L130-P137 VanDerWaalsContact CD1-CB 3.49Å; L130-P137 HydrophobicContact CD1-CG 4.5Å; H133-P137 VanDerWaalsContact O-CA 3.31Å; H133-P137 WeakPolarHBondContact O-CA 3.2Å; H133-P137 WeakPolarHBondContact O-CB 3.25Å; H133-P137 WeakPolarHBondContact O-CD 3.31Å; P137-R166 HydrophobicContact CB-CG 4.24Å; P137-R166 HydrophobicContact CG-CG 3.94Å; P137-R166 WeakPolarHBondContact O-CD 3.44Å; P137-R166 PolarHBondContact O-NH1 2.96Å; P137-M175 HydrophobicContact CG-CE 3.55Å; P137-W177 HydrophobicContact CG-CH2 4.19Å; P137-W177 HydrophobicContact CG-CZ2 3.79Å
138Y97.4Very high96.4Very high132 Ų13273.4 Ų73.452%0.51837%0.37SS..  trans-115.188.1177.6-76.6-106.1000109.5N136 T140 R166 W177N136-Y138 PolarHBondContact O-N 3.27Å; N136-Y138 WeakPolarHBondContact OD1-CD2 3.22Å; Y138-T140 PolarHBondContact O-N 3.5Å; Y138-R166 VanDerWaalsContact CZ-NE 3.27Å; Y138-W177 HydrophobicContact CD2-CH2 4.05Å; Y138-W177 HydrophobicContact CD2-CZ2 4.49Å; Y138-W177 AromaticContact CE2-CH2 3.64Å; Y138-W177 HydrophobicContact CE2-CH2 3.64Å; Y138-W177 AromaticContact CE2-CZ2 3.85Å; Y138-W177 HydrophobicContact CE2-CZ2 3.85Å
139P97.3Very high96.4Very high15 Ų1576.4 Ų76.410%0.09738%0.376CS..  trans-62.8134.2-175.623.6-32.5000111.2W129 E143 L147 F162W129-P139 VanDerWaalsContact CH2-CA 3.47Å; W129-P139 HydrophobicContact CH2-CB 3.62Å; W129-P139 VanDerWaalsContact CH2-CD 3.5Å; W129-P139 HydrophobicContact CH2-CG 4.08Å; W129-P139 VanDerWaalsContact CH2-N 3.32Å; W129-P139 VanDerWaalsContact CZ2-CA 3.5Å; W129-P139 HydrophobicContact CZ2-CB 3.57Å; W129-P139 HydrophobicContact CZ2-CG 4.5Å; W129-P139 HydrophobicContact CZ3-CB 4.11Å; W129-P139 HydrophobicContact CZ3-CG 4.2Å; P139-E143 HydrophobicContact CB-CB 4.11Å; P139-L147 HydrophobicContact CB-CD1 4.47Å; P139-F162 HydrophobicContact CG-CD1 4.43Å; P139-F162 HydrophobicContact CG-CD2 3.79Å; P139-F162 HydrophobicContact CG-CE2 4.01Å; P139-F162 HydrophobicContact CG-CG 4.02Å; P139-F162 HydrophobicContact CG-CZ 4.44Å
140T98.3Very high96.4Very high82 Ų8280.3 Ų80.350%0.50340%0.397SS..  trans-62172.3177.263.70000111.8Y138 G142 E143 K144Y138-T140 PolarHBondContact O-N 3.5Å; T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 3.24Å; T140-E143 VanDerWaalsContact CB-OE2 3.23Å; T140-E143 WeakPolarHBondContact CB-OE2 3.27Å; T140-E143 VanDerWaalsContact CG2-OE2 3.22Å; T140-E143 WeakPolarHBondContact CG2-OE2 3.36Å; T140-E143 PolarHBondContact N-OE2 3.3Å; T140-E143 PolarHBondContact O-N 3.45Å; T140-E143 WeakPolarHBondContact OG1-CG 3.27Å; T140-E143 PolarHBondContact OG1-N 3.04Å; T140-E143 PolarHBondContact OG1-OE2 2.98Å; T140-K144 WeakPolarHBondContact O-CB 3.5Å; T140-K144 PolarHBondContact O-N 2.96Å
141K97.9Very high96.5Very high182 Ų18280 Ų8079%0.79140%0.395SS*.Hα-helixtrans-57.5-41.1176.6-169.7-179.7179.3-174.70111.9I145K141-I145 WeakPolarHBondContact O-CD1 3.33Å; K141-I145 WeakPolarHBondContact O-CG1 3.23Å; K141-I145 PolarHBondContact O-N 3.11Å
142G98.3Very high96.6Very high47 Ų4783.6 Ų83.649%0.48541%0.405SS..Hα-helixtrans-68.9-51.8178.800000112.5T140 K144 I145 M146T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 3.24Å; G142-K144 VanDerWaalsContact C-N 3.3Å; G142-K144 PolarHBondContact O-N 3.15Å; G142-I145 WeakPolarHBondContact O-CB 3.33Å; G142-I145 PolarHBondContact O-N 3.41Å; G142-M146 PolarHBondContact O-N 3.3Å
143E98.2Very high96.5Very high39 Ų3977.9 Ų77.918%0.18238%0.379CS..Hα-helixtrans-61.5-38.3-179.9-65165.1106.500112.3W129 H133 P139 T140 I145 M146 L147W129-E143 VanDerWaalsContact CE2-OE1 3.28Å; W129-E143 VanDerWaalsContact CZ2-OE1 3.27Å; W129-E143 WeakPolarHBondContact CZ2-OE1 3.48Å; W129-E143 PolarHBondContact NE1-OE1 3.44Å; H133-E143 IonicContact CE1-OE1 3.76Å; H133-E143 IonicContact NE2-OE1 3.54Å; P139-E143 HydrophobicContact CB-CB 4.11Å; T140-E143 VanDerWaalsContact CB-OE2 3.23Å; T140-E143 WeakPolarHBondContact CB-OE2 3.27Å; T140-E143 VanDerWaalsContact CG2-OE2 3.22Å; T140-E143 WeakPolarHBondContact CG2-OE2 3.36Å; T140-E143 PolarHBondContact N-OE2 3.3Å; T140-E143 PolarHBondContact O-N 3.45Å; T140-E143 WeakPolarHBondContact OG1-CG 3.27Å; T140-E143 PolarHBondContact OG1-N 3.04Å; T140-E143 PolarHBondContact OG1-OE2 2.98Å; E143-I145 PolarHBondContact O-N 2.89Å; E143-M146 PolarHBondContact O-N 3.42Å; E143-L147 VanDerWaalsContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 VanDerWaalsContact O-CG 3.23Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.24Å
144K98Very high96.6Very high48 Ų4879 Ų7921%0.20939%0.39CS..Hα-helixtrans-64.1-31.2177.1-159.3-172-63.8-176.30112.2T140 G142 A148 L155 V158 S159T140-K144 WeakPolarHBondContact O-CB 3.5Å; T140-K144 PolarHBondContact O-N 2.96Å; G142-K144 VanDerWaalsContact C-N 3.3Å; G142-K144 PolarHBondContact O-N 3.15Å; K144-A148 VanDerWaalsContact O-CB 3.27Å; K144-A148 WeakPolarHBondContact O-CB 3.27Å; K144-A148 PolarHBondContact O-N 3.43Å; K144-A148 VanDerWaalsContact O-N 3.1Å; K144-L155 HydrophobicContact CB-CD1 3.99Å; K144-L155 HydrophobicContact CD-CD1 3.82Å; K144-L155 HydrophobicContact CD-CG 3.93Å; K144-L155 HydrophobicContact CG-CD1 3.68Å; K144-L155 HydrophobicContact CG-CG 4.29Å; K144-L155 WeakPolarHBondContact O-CD1 3.37Å; K144-V158 HydrophobicContact CG-CB 4.37Å; K144-V158 HydrophobicContact CG-CG1 3.82Å; K144-S159 PolarHBondContact NZ-OG 3.29Å
145I97.9Very high96.8Very high82 Ų8278.6 Ų78.642%0.42139%0.394SS..Hα-helixtrans-73.2-47.6172.6-66.8164.5000110.2K141 G142 E143 L147 A148 I149 L155K141-I145 WeakPolarHBondContact O-CD1 3.33Å; K141-I145 WeakPolarHBondContact O-CG1 3.23Å; K141-I145 PolarHBondContact O-N 3.11Å; G142-I145 WeakPolarHBondContact O-CB 3.33Å; G142-I145 PolarHBondContact O-N 3.41Å; E143-I145 PolarHBondContact O-N 2.89Å; I145-L147 PolarHBondContact O-N 3.25Å; I145-A148 WeakPolarHBondContact O-CB 3.32Å; I145-A148 PolarHBondContact O-N 2.86Å; I145-A148 VanDerWaalsContact O-N 3.15Å; I145-I149 HydrophobicContact CG2-CD1 3.88Å; I145-I149 WeakPolarHBondContact O-CG1 3.33Å; I145-I149 PolarHBondContact O-N 3.06Å; I145-L155 HydrophobicContact CG1-CD1 3.93Å
146M98.3Very high97.2Very high96 Ų9673.8 Ų73.847%0.47338%0.382SS..Hα-helixtrans-56.2-48.1176.7-177.417972.800111.8G142 E143 A148 I149 I150G142-M146 PolarHBondContact O-N 3.3Å; E143-M146 PolarHBondContact O-N 3.42Å; M146-A148 PolarHBondContact O-N 3.4Å; M146-I149 PolarHBondContact O-N 3.16Å; M146-I150 HydrophobicContact CG-CD1 3.79Å; M146-I150 WeakPolarHBondContact O-CG1 3.14Å; M146-I150 PolarHBondContact O-N 2.94Å
147L98.3Very high97.5Very high4 Ų472.7 Ų72.72%0.02137%0.374CS..Hα-helixtrans-63.8-40.1176.5-68.3169000111.5T125 L126 W129 P139 E143 I145 I149 I150 T151 V158 F162T125-L147 HydrophobicContact CG2-CD2 3.93Å; L126-L147 HydrophobicContact CD2-CB 4.31Å; W129-L147 HydrophobicContact CB-CD1 4.36Å; W129-L147 HydrophobicContact CB-CD2 4.14Å; W129-L147 HydrophobicContact CD2-CD1 4.08Å; W129-L147 HydrophobicContact CG-CD1 3.89Å; W129-L147 HydrophobicContact CG-CD2 4.35Å; P139-L147 HydrophobicContact CB-CD1 4.47Å; E143-L147 VanDerWaalsContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.48Å; E143-L147 VanDerWaalsContact O-CG 3.23Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.24Å; I145-L147 PolarHBondContact O-N 3.25Å; L147-I149 VanDerWaalsContact C-N 3.35Å; L147-I149 PolarHBondContact O-N 3.2Å; L147-I150 PolarHBondContact O-N 3.2Å; L147-T151 VanDerWaalsContact O-CB 3.25Å; L147-T151 WeakPolarHBondContact O-CB 3.43Å; L147-T151 WeakPolarHBondContact O-CG2 3.37Å; L147-T151 PolarHBondContact O-N 3.29Å; L147-T151 PolarHBondContact O-OG1 3.33Å; L147-V158 HydrophobicContact CB-CG1 4.24Å; L147-F162 HydrophobicContact CD1-CE2 3.78Å; L147-F162 HydrophobicContact CD1-CZ 3.95Å
148A97.7Very high97.6Very high14 Ų1472.7 Ų72.712%0.11637%0.374CS..Hα-helixtrans-59.7-42.8174.200000112.5K144 I145 M146 K152 M153 V158K144-A148 VanDerWaalsContact O-CB 3.27Å; K144-A148 WeakPolarHBondContact O-CB 3.27Å; K144-A148 PolarHBondContact O-N 3.43Å; K144-A148 VanDerWaalsContact O-N 3.1Å; I145-A148 WeakPolarHBondContact O-CB 3.32Å; I145-A148 PolarHBondContact O-N 2.86Å; I145-A148 VanDerWaalsContact O-N 3.15Å; M146-A148 PolarHBondContact O-N 3.4Å; A148-K152 WeakPolarHBondContact O-CA 3.24Å; A148-K152 PolarHBondContact O-N 2.74Å; A148-M153 WeakPolarHBondContact CA-O 3.49Å; A148-M153 VanDerWaalsContact CB-O 3.27Å; A148-M153 WeakPolarHBondContact CB-O 3.01Å; A148-M153 PolarHBondContact O-N 3.47Å; A148-V158 HydrophobicContact CB-CG2 4.1Å
149I97.7Very high97.6Very high124 Ų12468.6 Ų68.664%0.63637%0.365SS*.Hα-helixtrans-64.1-53.4177-66.5164000110.8I145 M146 L147 T151 K152I145-I149 HydrophobicContact CG2-CD1 3.88Å; I145-I149 WeakPolarHBondContact O-CG1 3.33Å; I145-I149 PolarHBondContact O-N 3.06Å; M146-I149 PolarHBondContact O-N 3.16Å; L147-I149 VanDerWaalsContact C-N 3.35Å; L147-I149 PolarHBondContact O-N 3.2Å; I149-T151 PolarHBondContact O-N 3.31Å; I149-K152 PolarHBondContact O-N 3.37Å
150I97.3Very high97.6Very high94 Ų9472 Ų7248%0.48239%0.386SS..Hα-helixtrans-63.1-43.4-176.7-63.5165.2000111.2T125 M146 L147 K152T125-I150 HydrophobicContact CG2-CG2 3.85Å; M146-I150 HydrophobicContact CG-CD1 3.79Å; M146-I150 WeakPolarHBondContact O-CG1 3.14Å; M146-I150 PolarHBondContact O-N 2.94Å; L147-I150 PolarHBondContact O-N 3.2Å; I150-K152 VanDerWaalsContact C-N 3.31Å; I150-K152 PolarHBondContact O-N 3.39Å
151T97.3Very high97.6Very high9 Ų970.6 Ų70.66%0.05537%0.371CS..Hα-helixtrans-79.9-11.9-178.561.70000113.9A122 T125 L126 L147 I149 M153A122-T151 HydrophobicContact CB-CG2 4.11Å; A122-T151 WeakPolarHBondContact O-CG2 3.44Å; T125-T151 HydrophobicContact CG2-CG2 4.5Å; L126-T151 HydrophobicContact CD1-CG2 4.27Å; L126-T151 HydrophobicContact CD2-CG2 4.06Å; L126-T151 HydrophobicContact CG-CG2 3.84Å; L147-T151 VanDerWaalsContact O-CB 3.25Å; L147-T151 WeakPolarHBondContact O-CB 3.43Å; L147-T151 WeakPolarHBondContact O-CG2 3.37Å; L147-T151 PolarHBondContact O-N 3.29Å; L147-T151 PolarHBondContact O-OG1 3.33Å; I149-T151 PolarHBondContact O-N 3.31Å; T151-M153 PolarHBondContact O-N 2.6Å; T151-M153 WeakPolarHBondContact OG1-CB 3.43Å; T151-M153 PolarHBondContact OG1-N 3.41Å
152K96.5Very high97.5Very high194 Ų19462 Ų6284%0.84333%0.334SS*.THydrogen-bonded Turntrans55.727.8-170.8-54.2178.5-177.51780113.1A148 I149 I150A148-K152 WeakPolarHBondContact O-CA 3.24Å; A148-K152 PolarHBondContact O-N 2.74Å; I149-K152 PolarHBondContact O-N 3.37Å; I150-K152 VanDerWaalsContact C-N 3.31Å; I150-K152 PolarHBondContact O-N 3.39Å
153M95.1Very high97.5Very high23 Ų2361 Ų6111%0.11332%0.321CS..  trans-102.3149.9177-65.4172.559.200110.2A118 A122 L126 A148 T151 Q157 V158A118-M153 HydrophobicContact CB-CE 4.07Å; A118-M153 HydrophobicContact CB-SD 3.81Å; A122-M153 HydrophobicContact CB-SD 4.33Å; L126-M153 HydrophobicContact CD1-CE 4.2Å; L126-M153 HydrophobicContact CD1-SD 3.85Å; A148-M153 WeakPolarHBondContact CA-O 3.49Å; A148-M153 VanDerWaalsContact CB-O 3.27Å; A148-M153 WeakPolarHBondContact CB-O 3.01Å; A148-M153 PolarHBondContact O-N 3.47Å; T151-M153 PolarHBondContact O-N 2.6Å; T151-M153 WeakPolarHBondContact OG1-CB 3.43Å; T151-M153 PolarHBondContact OG1-N 3.41Å; M153-Q157 HydrophobicContact CB-CB 4.14Å; M153-Q157 HydrophobicContact CE-CB 3.79Å; M153-V158 HydrophobicContact CB-CG2 3.92Å
154T97.6Very high97.4Very high79 Ų7962.3 Ų62.349%0.48533%0.329SS..  trans-67.3153.7175.872.70000111.3T156 Q157 V158T154-T156 PolarHBondContact O-N 3.25Å; T154-T156 VanDerWaalsContact O-N 3.1Å; T154-Q157 WeakPolarHBondContact O-CA 3.39Å; T154-Q157 WeakPolarHBondContact O-CB 3.21Å; T154-Q157 PolarHBondContact O-N 3Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.46Å; T154-Q157 PolarHBondContact OG1-N 2.79Å; T154-Q157 PolarHBondContact OG1-OE1 3.2Å; T154-V158 PolarHBondContact O-N 2.63Å
155L97.4Very high97.2Very high86 Ų8660.4 Ų60.445%0.4532%0.322SS..Hα-helixtrans-51.8-37176.3-162.577.9000112K144 I145 S159K144-L155 HydrophobicContact CB-CD1 3.99Å; K144-L155 HydrophobicContact CD-CD1 3.82Å; K144-L155 HydrophobicContact CD-CG 3.93Å; K144-L155 HydrophobicContact CG-CD1 3.68Å; K144-L155 HydrophobicContact CG-CG 4.29Å; K144-L155 WeakPolarHBondContact O-CD1 3.37Å; I145-L155 HydrophobicContact CG1-CD1 3.93Å; L155-S159 VanDerWaalsContact O-CB 3.28Å; L155-S159 WeakPolarHBondContact O-CB 3.34Å; L155-S159 PolarHBondContact O-N 2.8Å
156T97.4Very high97.1Very high102 Ų10258.7 Ų58.763%0.62631%0.311SS*.Hα-helixtrans-66.6-43.7175.3-49.80000112.4T154 S159 T160T154-T156 PolarHBondContact O-N 3.25Å; T154-T156 VanDerWaalsContact O-N 3.1Å; T156-S159 PolarHBondContact O-N 3.33Å; T156-T160 VanDerWaalsContact O-CB 3.28Å; T156-T160 WeakPolarHBondContact O-CB 3.27Å; T156-T160 PolarHBondContact O-N 3.49Å; T156-T160 PolarHBondContact O-OG1 3.36Å
157Q97.5Very high96.9Very high74 Ų7462.4 Ų62.435%0.34632%0.319SS..Hα-helixtrans-63.1-46.2175.3-73.4172.8-51.900111.2M153 T154 T160 W161M153-Q157 HydrophobicContact CB-CB 4.14Å; M153-Q157 HydrophobicContact CE-CB 3.79Å; T154-Q157 WeakPolarHBondContact O-CA 3.39Å; T154-Q157 WeakPolarHBondContact O-CB 3.21Å; T154-Q157 PolarHBondContact O-N 3Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.46Å; T154-Q157 PolarHBondContact OG1-N 2.79Å; T154-Q157 PolarHBondContact OG1-OE1 3.2Å; Q157-T160 PolarHBondContact O-N 3.33Å; Q157-W161 WeakPolarHBondContact O-CB 3.28Å; Q157-W161 PolarHBondContact O-N 3.21Å
158V97.6Very high96.6Very high0 Ų069.5 Ų69.50%035%0.346CS..Hα-helixtrans-60.1-48.4176.2176.80000110.7L126 K144 L147 A148 M153 T154 T160 W161 F162L126-V158 HydrophobicContact CD2-CG1 4.14Å; K144-V158 HydrophobicContact CG-CB 4.37Å; K144-V158 HydrophobicContact CG-CG1 3.82Å; L147-V158 HydrophobicContact CB-CG1 4.24Å; A148-V158 HydrophobicContact CB-CG2 4.1Å; M153-V158 HydrophobicContact CB-CG2 3.92Å; T154-V158 PolarHBondContact O-N 2.63Å; V158-T160 VanDerWaalsContact C-N 3.3Å; V158-T160 PolarHBondContact O-N 2.99Å; V158-W161 PolarHBondContact O-N 2.99Å; V158-F162 HydrophobicContact CG1-CD2 3.87Å; V158-F162 HydrophobicContact CG1-CE2 3.87Å; V158-F162 WeakPolarHBondContact O-CD2 3.44Å; V158-F162 PolarHBondContact O-N 2.94Å
159S97.7Very high96.1Very high46 Ų4669.8 Ų69.832%0.32235%0.345SS..Hα-helixtrans-61.4-37.8178.2-154.70000112.5K144 L155 T156 A163K144-S159 PolarHBondContact NZ-OG 3.29Å; L155-S159 VanDerWaalsContact O-CB 3.28Å; L155-S159 WeakPolarHBondContact O-CB 3.34Å; L155-S159 PolarHBondContact O-N 2.8Å; T156-S159 PolarHBondContact O-N 3.33Å; S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 3.04Å; S159-A163 VanDerWaalsContact O-N 3.07Å
160T97.7Very high95.3Very high88 Ų8871.2 Ų71.254%0.5435%0.347SS..Hα-helixtrans-70-40.7176.9-580000111.5T156 Q157 V158 A163 N164T156-T160 VanDerWaalsContact O-CB 3.28Å; T156-T160 WeakPolarHBondContact O-CB 3.27Å; T156-T160 PolarHBondContact O-N 3.49Å; T156-T160 PolarHBondContact O-OG1 3.36Å; Q157-T160 PolarHBondContact O-N 3.33Å; V158-T160 VanDerWaalsContact C-N 3.3Å; V158-T160 PolarHBondContact O-N 2.99Å; T160-A163 PolarHBondContact O-N 3.1Å; T160-N164 WeakPolarHBondContact O-CB 3.36Å; T160-N164 PolarHBondContact O-N 3.43Å
161W97.3Very high94.4Very high51 Ų5176 Ų7619%0.19336%0.364CS..Hα-helixtrans-60-50.2176.2-169.5103.3000110.9T123 L126 K127 L130 Q157 V158 A163 N164 A165T123-W161 HydrophobicContact CG2-CZ2 4.12Å; L126-W161 HydrophobicContact CB-CD2 4.08Å; L126-W161 HydrophobicContact CB-CE3 3.9Å; L126-W161 HydrophobicContact CB-CH2 3.66Å; L126-W161 HydrophobicContact CB-CZ2 3.8Å; L126-W161 HydrophobicContact CB-CZ3 3.71Å; L126-W161 HydrophobicContact CD1-CB 4.47Å; L126-W161 HydrophobicContact CD1-CD2 3.81Å; L126-W161 HydrophobicContact CD1-CE3 4.29Å; L126-W161 HydrophobicContact CD1-CG 3.87Å; L126-W161 HydrophobicContact CG-CD2 4.47Å; K127-W161 HydrophobicContact CG-CH2 4.17Å; K127-W161 HydrophobicContact CG-CZ2 4.24Å; L130-W161 HydrophobicContact CD2-CH2 4.1Å; L130-W161 HydrophobicContact CD2-CZ3 4.13Å; Q157-W161 WeakPolarHBondContact O-CB 3.28Å; Q157-W161 PolarHBondContact O-N 3.21Å; V158-W161 PolarHBondContact O-N 2.99Å; W161-A163 PolarHBondContact O-N 2.9Å; W161-N164 WeakPolarHBondContact O-CB 3.42Å; W161-N164 PolarHBondContact O-N 3.38Å; W161-N164 VanDerWaalsContact O-N 3.08Å; W161-A165 HydrophobicContact CE3-CB 3.99Å; W161-A165 HydrophobicContact CH2-CB 4.24Å; W161-A165 HydrophobicContact CZ3-CB 3.75Å; W161-A165 WeakPolarHBondContact O-CB 3.07Å; W161-A165 PolarHBondContact O-N 3.38Å
162F97.5Very high93.2Very high2 Ų279.9 Ų79.91%0.00938%0.382CS..Hα-helixtrans-63.9-38.7177.1-83.3-70000113.2L126 W129 L130 P139 L147 V158 N164 A165 R166L126-F162 HydrophobicContact CD2-CE2 3.6Å; L126-F162 HydrophobicContact CD2-CZ 4.01Å; W129-F162 HydrophobicContact CD2-CE1 4.45Å; W129-F162 HydrophobicContact CD2-CZ 4.16Å; W129-F162 HydrophobicContact CE3-CD1 4.35Å; W129-F162 AromaticContact CE3-CE1 3.33Å; W129-F162 HydrophobicContact CE3-CE1 3.33Å; W129-F162 AromaticContact CE3-CZ 3.43Å; W129-F162 HydrophobicContact CE3-CZ 3.43Å; W129-F162 VanDerWaalsContact CE3-CZ 3.43Å; W129-F162 HydrophobicContact CZ3-CD1 4.19Å; W129-F162 AromaticContact CZ3-CE1 3.58Å; W129-F162 HydrophobicContact CZ3-CE1 3.58Å; W129-F162 HydrophobicContact CZ3-CZ 4.01Å; L130-F162 HydrophobicContact CB-CE1 4.2Å; L130-F162 HydrophobicContact CD1-CD1 4.13Å; L130-F162 HydrophobicContact CD1-CE1 4Å; P139-F162 HydrophobicContact CG-CD1 4.43Å; P139-F162 HydrophobicContact CG-CD2 3.79Å; P139-F162 HydrophobicContact CG-CE2 4.01Å; P139-F162 HydrophobicContact CG-CG 4.02Å; P139-F162 HydrophobicContact CG-CZ 4.44Å; L147-F162 HydrophobicContact CD1-CE2 3.78Å; L147-F162 HydrophobicContact CD1-CZ 3.95Å; V158-F162 HydrophobicContact CG1-CD2 3.87Å; V158-F162 HydrophobicContact CG1-CE2 3.87Å; V158-F162 WeakPolarHBondContact O-CD2 3.44Å; V158-F162 PolarHBondContact O-N 2.94Å; F162-N164 VanDerWaalsContact C-N 3.26Å; F162-N164 PolarHBondContact O-N 3.15Å; F162-A165 PolarHBondContact O-N 3.33Å; F162-R166 WeakPolarHBondContact O-CG 3.43Å; F162-R166 PolarHBondContact O-N 3.19Å
163A96.7Very high91.7Very high27 Ų2776.9 Ų76.922%0.22338%0.375CS..Hα-helixtrans-64.6-30.2173.700000112.5S159 T160 W161 R167S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 3.04Å; S159-A163 VanDerWaalsContact O-N 3.07Å; T160-A163 PolarHBondContact O-N 3.1Å; W161-A163 PolarHBondContact O-N 2.9Å; A163-R167 VanDerWaalsContact C-NH1 3.26Å; A163-R167 VanDerWaalsContact O-CG 3.29Å; A163-R167 WeakPolarHBondContact O-CG 3.49Å; A163-R167 PolarHBondContact O-NH1 2.89Å
164N96.4Very high90.3Very high65 Ų6581.9 Ų81.935%0.34840%0.396SS..Hα-helixtrans-76.7-46.9173.5-166-66.1000111.3T160 W161 F162 R166 R167 R168T160-N164 WeakPolarHBondContact O-CB 3.36Å; T160-N164 PolarHBondContact O-N 3.43Å; W161-N164 WeakPolarHBondContact O-CB 3.42Å; W161-N164 PolarHBondContact O-N 3.38Å; W161-N164 VanDerWaalsContact O-N 3.08Å; F162-N164 VanDerWaalsContact C-N 3.26Å; F162-N164 PolarHBondContact O-N 3.15Å; N164-R166 PolarHBondContact O-N 3.39Å; N164-R167 WeakPolarHBondContact O-CB 3.24Å; N164-R167 PolarHBondContact O-N 2.82Å; N164-R167 VanDerWaalsContact O-N 3.13Å; N164-R168 PolarHBondContact O-N 3.15Å; N164-R168 PolarHBondContact OD1-NE 3.12Å; N164-R168 PolarHBondContact OD1-NH1 3.23Å; N164-R168 VanDerWaalsContact OD1-NH1 3.09Å
165A95.1Very high88.8Confident8 Ų878.9 Ų78.97%0.06638%0.377CS..Hα-helixtrans-56.7-49.8178.500000112.2L130 W161 F162 R167 R168 L169L130-A165 HydrophobicContact CD2-CB 3.92Å; W161-A165 HydrophobicContact CE3-CB 3.99Å; W161-A165 HydrophobicContact CH2-CB 4.24Å; W161-A165 HydrophobicContact CZ3-CB 3.75Å; W161-A165 WeakPolarHBondContact O-CB 3.07Å; W161-A165 PolarHBondContact O-N 3.38Å; F162-A165 PolarHBondContact O-N 3.33Å; A165-R167 VanDerWaalsContact C-N 3.26Å; A165-R167 PolarHBondContact O-N 3.36Å; A165-R168 WeakPolarHBondContact O-CB 3.32Å; A165-R168 PolarHBondContact O-N 3.34Å; A165-R168 VanDerWaalsContact O-N 3.1Å; A165-L169 WeakPolarHBondContact O-CB 3.35Å; A165-L169 WeakPolarHBondContact O-CD1 3.49Å; A165-L169 PolarHBondContact O-N 2.84Å
166R95.1Very high87Confident47 Ų4780.3 Ų80.318%0.17739%0.389CS..Hα-helixtrans-58.7-34.3176.8-72.6-163.1-63-88.22.5113.5P137 Y138 F162 N164 K170P137-R166 HydrophobicContact CB-CG 4.24Å; P137-R166 HydrophobicContact CG-CG 3.94Å; P137-R166 WeakPolarHBondContact O-CD 3.44Å; P137-R166 PolarHBondContact O-NH1 2.96Å; Y138-R166 VanDerWaalsContact CZ-NE 3.27Å; F162-R166 WeakPolarHBondContact O-CG 3.43Å; F162-R166 PolarHBondContact O-N 3.19Å; N164-R166 PolarHBondContact O-N 3.39Å; R166-K170 PolarHBondContact O-N 3.08Å; R166-K170 VanDerWaalsContact O-N 3.1Å
167R94.1Very high84.9Confident173 Ų17380 Ų8065%0.65338%0.376SS*.Hα-helixtrans-69.8-40.1175.5-70175.7-171.6115.2-16.3112A163 N164 A165 K171A163-R167 VanDerWaalsContact C-NH1 3.26Å; A163-R167 VanDerWaalsContact O-CG 3.29Å; A163-R167 WeakPolarHBondContact O-CG 3.49Å; A163-R167 PolarHBondContact O-NH1 2.89Å; N164-R167 WeakPolarHBondContact O-CB 3.24Å; N164-R167 PolarHBondContact O-N 2.82Å; N164-R167 VanDerWaalsContact O-N 3.13Å; A165-R167 VanDerWaalsContact C-N 3.26Å; A165-R167 PolarHBondContact O-N 3.36Å; R167-K171 PolarHBondContact O-N 3.27Å; R167-K171 VanDerWaalsContact O-N 3.08Å
168R91.9Very high82.7Confident154 Ų15481 Ų8158%0.58139%0.388SS*.Hα-helixtrans-61.2-54.9173.5-71.6177170.6145.1-1.6110.4N164 A165 K170 K171 E172N164-R168 PolarHBondContact O-N 3.15Å; N164-R168 PolarHBondContact OD1-NE 3.12Å; N164-R168 PolarHBondContact OD1-NH1 3.23Å; N164-R168 VanDerWaalsContact OD1-NH1 3.09Å; A165-R168 WeakPolarHBondContact O-CB 3.32Å; A165-R168 PolarHBondContact O-N 3.34Å; A165-R168 VanDerWaalsContact O-N 3.1Å; R168-K170 VanDerWaalsContact C-N 3.28Å; R168-K170 PolarHBondContact O-N 2.8Å; R168-K171 WeakPolarHBondContact O-CA 3.48Å; R168-K171 PolarHBondContact O-N 3.33Å; R168-E172 VanDerWaalsContact O-CG 3.28Å; R168-E172 WeakPolarHBondContact O-CG 3.4Å; R168-E172 PolarHBondContact O-N 3.4Å
169L86.6Confident80.4Confident20 Ų2086.5 Ų86.511%0.10542%0.423CS..Hα-helixtrans-49.9-44.3177.6-96.858.9000112.8L130 A165 E172 K174 M175L130-L169 HydrophobicContact CD1-CD2 4.11Å; L130-L169 HydrophobicContact CD2-CD1 4.21Å; L130-L169 HydrophobicContact CD2-CD2 4.12Å; L130-L169 HydrophobicContact CG-CD2 4.21Å; A165-L169 WeakPolarHBondContact O-CB 3.35Å; A165-L169 WeakPolarHBondContact O-CD1 3.49Å; A165-L169 PolarHBondContact O-N 2.84Å; L169-E172 WeakPolarHBondContact CA-OE1 3.48Å; L169-E172 PolarHBondContact N-OE1 2.9Å; L169-K174 PolarHBondContact O-N 2.96Å; L169-M175 HydrophobicContact CB-CB 3.9Å; L169-M175 HydrophobicContact CB-CG 4.14Å; L169-M175 HydrophobicContact CB-SD 4.45Å; L169-M175 HydrophobicContact CD2-SD 3.88Å; L169-M175 HydrophobicContact CG-SD 4.46Å; L169-M175 VanDerWaalsContact O-CB 3.25Å; L169-M175 WeakPolarHBondContact O-CB 3.28Å
170K80.9Confident78Confident153 Ų15391.9 Ų91.967%0.66544%0.437SS*.Hα-helixtrans-70.5-34.8176-175169.9-178.1171.30113.5R166 R168R166-K170 PolarHBondContact O-N 3.08Å; R166-K170 VanDerWaalsContact O-N 3.1Å; R168-K170 VanDerWaalsContact C-N 3.28Å; R168-K170 PolarHBondContact O-N 2.8Å
171K78.8Confident75.2Confident194 Ų19494.2 Ų94.284%0.84345%0.446SS*.Hα-helixtrans-73.1-36.4178.3-178.7175.9177.4-179.70112.5R167 R168 N173R167-K171 PolarHBondContact O-N 3.27Å; R167-K171 VanDerWaalsContact O-N 3.08Å; R168-K171 WeakPolarHBondContact O-CA 3.48Å; R168-K171 PolarHBondContact O-N 3.33Å; K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 3.47Å
172E72.5Confident72.9Confident91 Ų91102.9 Ų102.943%0.42548%0.479SS..THydrogen-bonded Turntrans-90.410.8-172.970.4-167.4119.100114.4R168 L169 K174R168-E172 VanDerWaalsContact O-CG 3.28Å; R168-E172 WeakPolarHBondContact O-CG 3.4Å; R168-E172 PolarHBondContact O-N 3.4Å; L169-E172 WeakPolarHBondContact CA-OE1 3.48Å; L169-E172 PolarHBondContact N-OE1 2.9Å; E172-K174 HydrophobicContact CG-CB 3.93Å; E172-K174 HydrophobicContact CG-CD 3.91Å; E172-K174 HydrophobicContact CG-CG 3.81Å; E172-K174 PolarHBondContact O-N 3.22Å; E172-K174 VanDerWaalsContact OE2-CD 3.3Å; E172-K174 WeakPolarHBondContact OE2-CD 3.35Å; E172-K174 WeakPolarHBondContact OE2-CE 3.36Å
173N64.2Low70.4Confident131 Ų131107.9 Ų107.970%0.70151%0.514SS*.THydrogen-bonded Turntrans47.226.6-175.3-154.514.5000115.4K171 M175K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 3.47Å; N173-M175 PolarHBondContact O-N 3.35Å
174K66.8Low68Low128 Ų128115.1 Ų115.156%0.55754%0.543SS*.  trans-85.820.4169.3-66.8179.6-158.6-56.40111.4R134 L169 E172R134-K174 VanDerWaalsContact CZ-O 3.25Å; R134-K174 PolarHBondContact NH1-O 2.93Å; R134-K174 PolarHBondContact NH2-O 3.05Å; L169-K174 PolarHBondContact O-N 2.96Å; E172-K174 HydrophobicContact CG-CB 3.93Å; E172-K174 HydrophobicContact CG-CD 3.91Å; E172-K174 HydrophobicContact CG-CG 3.81Å; E172-K174 PolarHBondContact O-N 3.22Å; E172-K174 VanDerWaalsContact OE2-CD 3.3Å; E172-K174 WeakPolarHBondContact OE2-CD 3.35Å; E172-K174 WeakPolarHBondContact OE2-CE 3.36Å
175M65.9Low65.7Low16 Ų16117.3 Ų117.38%0.07956%0.555CS.*  trans-158.179.9-164.7-162.874.4-171.600110.8R134 P137 L169 N173 W177R134-M175 PolarHBondContact NH1-SD 3.46Å; R134-M175 WeakPolarHBondContact O-CE 3Å; P137-M175 HydrophobicContact CG-CE 3.55Å; L169-M175 HydrophobicContact CB-CB 3.9Å; L169-M175 HydrophobicContact CB-CG 4.14Å; L169-M175 HydrophobicContact CB-SD 4.45Å; L169-M175 HydrophobicContact CD2-SD 3.88Å; L169-M175 HydrophobicContact CG-SD 4.46Å; L169-M175 VanDerWaalsContact O-CB 3.25Å; L169-M175 WeakPolarHBondContact O-CB 3.28Å; N173-M175 PolarHBondContact O-N 3.35Å; M175-W177 HydrophobicContact CE-CD2 4.08Å; M175-W177 VanDerWaalsContact CE-CE2 3.48Å; M175-W177 HydrophobicContact CE-CH2 4.16Å; M175-W177 HydrophobicContact CE-CZ2 3.55Å; M175-W177 HydrophobicContact CG-CG 4.18Å; M175-W177 PolarHBondContact O-N 2.95Å
176T58.6Low63.7Low116 Ų116125.1 Ų125.171%0.71259%0.59SS**  trans-69.176173.5-31.50000109.8T178T176-T178 HydrophobicContact CG2-CG2 4.12Å; T176-T178 PolarHBondContact O-N 3.1Å
177W55Low61.8Low95 Ų95130 Ų13036%0.3662%0.615SS.*  trans-70.371.6162.8-71.2108.8000108.5P137 Y138 M175 P179P137-W177 HydrophobicContact CG-CH2 4.19Å; P137-W177 HydrophobicContact CG-CZ2 3.79Å; Y138-W177 HydrophobicContact CD2-CH2 4.05Å; Y138-W177 HydrophobicContact CD2-CZ2 4.49Å; Y138-W177 AromaticContact CE2-CH2 3.64Å; Y138-W177 HydrophobicContact CE2-CH2 3.64Å; Y138-W177 AromaticContact CE2-CZ2 3.85Å; Y138-W177 HydrophobicContact CE2-CZ2 3.85Å; M175-W177 HydrophobicContact CE-CD2 4.08Å; M175-W177 VanDerWaalsContact CE-CE2 3.48Å; M175-W177 HydrophobicContact CE-CH2 4.16Å; M175-W177 HydrophobicContact CE-CZ2 3.55Å; M175-W177 HydrophobicContact CG-CG 4.18Å; M175-W177 PolarHBondContact O-N 2.95Å; W177-P179 WeakPolarHBondContact O-CD 3.3Å
178T50.7Low59.8Low96 Ų96130.7 Ų130.759%0.58963%0.626SS**  trans-55.3125158.343.90000107.2T176 R180T176-T178 HydrophobicContact CG2-CG2 4.12Å; T176-T178 PolarHBondContact O-N 3.1Å; T178-R180 VanDerWaalsContact C-N 3.31Å; T178-R180 PolarHBondContact O-N 2.74Å
179P48.5Very low57.8Low115 Ų115130.8 Ų130.875%0.74764%0.638SS**  trans-60106152.7-723.8000104.6W177 N181W177-P179 WeakPolarHBondContact O-CD 3.3Å; P179-N181 VanDerWaalsContact C-N 3.26Å; P179-N181 PolarHBondContact O-N 2.82Å
180R48.6Very low56.3Low159 Ų159138.8 Ų138.860%0.667%0.674SS**  trans-71.892.9177-169.3160.2174.3121-18.5106.6T178 D185T178-R180 VanDerWaalsContact C-N 3.31Å; T178-R180 PolarHBondContact O-N 2.74Å; R180-D185 IonicContact CZ-OD2 3.16Å; R180-D185 IonicContact NH1-OD2 2.68Å; R180-D185 PolarHBondContact NH1-OD2 2.68Å; R180-D185 IonicContact NH2-OD2 2.74Å; R180-D185 PolarHBondContact NH2-OD2 3.36Å
181N38.4Very low54.6Low138 Ų138138.7 Ų138.774%0.73868%0.681SS**  trans-46.4142149.1-77.210000107.2P179P179-N181 VanDerWaalsContact C-N 3.26Å; P179-N181 PolarHBondContact O-N 2.82Å
182R48.8Very low53.3Low232 Ų232136.6 Ų136.688%0.87568%0.678SS**SBendtrans-71.2164.6170.6-74177.3155.6106.9-7.6109.6
183S44.7Very low52.4Low108 Ų108139.5 Ų139.576%0.75570%0.696SS**SBendtrans64.6157.1-178.237.30000115.8
184E45.6Very low51.7Low178 Ų178141.9 Ų141.983%0.83271%0.708SS**SBendtrans73.351-176-54.2-177.1133.500116.7
185D49.8Very low51.1Low112 Ų112143.5 Ų143.560%0.59972%0.717SS**SBendtrans-166.225.4166.7-162.840.2000113.2R180R180-D185 IonicContact CZ-OD2 3.16Å; R180-D185 IonicContact NH1-OD2 2.68Å; R180-D185 PolarHBondContact NH1-OD2 2.68Å; R180-D185 IonicContact NH2-OD2 2.74Å; R180-D185 PolarHBondContact NH2-OD2 3.36Å
186E53.3Low50.4Low172 Ų172151.5 Ų151.580%0.80475%0.752SS**SBendtrans-141.822.2-172.8-67.8178.6-177.200112.5
187E53.5Low49.5Very low149 Ų149152.9 Ų152.970%0.69676%0.755SS**SBendtrans-123.9-2.9-164.7-66.5174.4-113.200115.7
188E52.9Low49.1Very low187 Ų187156.2 Ų156.287%0.87478%0.78SS**SBendtrans-99.8-13.4-176.1-67.5-167.7149.500115.2
189D50.7Low48.9Very low157 Ų157158.6 Ų158.684%0.8479%0.789SS**THydrogen-bonded Turntrans-83.8-8.1-174.8-78.7-44.9000114.8
190E54.3Low48.7Very low187 Ų187161.1 Ų161.187%0.87480%0.796SS**THydrogen-bonded Turntrans-85.5-7.8-177.8-64.9-164.8169.300114.4I192E190-I192 PolarHBondContact O-N 3.22Å
191N44.3Very low49Very low152 Ų152162 Ų16281%0.81381%0.807SS**  trans-95.551.9-175.7-161.2101.4000113.3
192I51.9Low49.7Very low150 Ų150159.6 Ų159.677%0.76980%0.799SS**SBendtrans-136133.7164.953.2172.7000112.8E190E190-I192 PolarHBondContact O-N 3.22Å
193D53.9Low49.1Very low151 Ų151156.1 Ų156.181%0.80780%0.798SS**SBendtrans66.663.6165.5-151.530.6000119.1
194L50.6Low48.9Very low182 Ų182160 Ų16095%0.95380%0.801SS**  trans-135.439.9160.1-79.2-177.8000113.2
195E53.6Low49.6Very low161 Ų161156.1 Ų156.175%0.75279%0.791SS**  trans-129.566.2172.4-161.9-158.8-103.200112.2
196K51.3Low49Very low185 Ų185158.1 Ų158.180%0.80480%0.801SS**  trans-161.481.4156.6-128.870.7178175.90113.3
197N38.9Very low48.2Very low145 Ų145155.1 Ų155.178%0.77579%0.791SS**  trans-156.7108.4155.1-165.366000111.2
198D47.7Very low47.7Very low165 Ų165156.6 Ų156.688%0.88280%0.795SS**  trans-129.7141164.7-92-64.7000107
199D45.3Very low46.8Very low145 Ų145151.2 Ų151.278%0.77579%0.79SS**  trans-72.3153.1-169.1-79.6-91.5000115.4
200D44.3Very low46Very low169 Ų169151.6 Ų151.690%0.90479%0.792SS**  trans-162.1127.7131.6-111.4-30.1000112
201E55.1Low45.1Very low177 Ų177147.3 Ų147.383%0.82778%0.783SS**  trans-90-174.5169.8-123.7-151.2111.700109.6
202P54.1Low44.6Very low87 Ų87146 Ų14657%0.56578%0.78SS**  cis-128.7-177.5-1742-28.7000113.1
203N35.4Very low43.7Very low160 Ų160146.2 Ų146.286%0.85678%0.783SS**  -171.7152.8127.4-106-67.5000116.3
204K41.4Very low42.8Very low190 Ų190143.9 Ų143.983%0.82677%0.774SS**  trans-91.5-173.5-175.2-110.9-171.2171.4-176.70112.6
205P58.7Low42.1Very low95 Ų95143.7 Ų143.762%0.61777%0.768SS**  cis-137.6-154.8-31.132.1-8.3000112.9
206L38.8Very low41Very low155 Ų155140.7 Ų140.781%0.81277%0.771SS**  trans89.8146.2160.4-61.2156.6000117.3
207D36.5Very low40Very low109 Ų109135.5 Ų135.558%0.58377%0.77SS**  cis-167.2158.4-18.9-176.132.2000111
208K41.7Very low39.7Very low179 Ų179139.7 Ų139.778%0.77878%0.775SS**  trans53.5148.5166.5-79.6174.8-166.974.50120.5
209G35.1Very low38.9Very low75 Ų75137.5 Ų137.577%0.77377%0.771SS**  trans-130.5162.6165.800000111.4
210D32.3Very low38.4Very low165 Ų165135.9 Ų135.988%0.88277%0.77SS**  trans-168.5148.4-179.6-168.981.9000105.5
211S35.8Very low37.8Very low97 Ų97139.5 Ų139.568%0.67877%0.771SS**  cis-161.5-164.7-22.3-177.90000106.6
212T34.5Very low36.7Very low124 Ų124135 Ų13576%0.76177%0.771SS**  trans-112.7137.4-164.653.50000116.7
213D33.1Very low35.7Very low155 Ų155134.3 Ų134.383%0.82978%0.78SS**  trans72.3166.7141.3-159.8-144.3000120.7
214T35.1Very low35.6Very low101 Ų101133.6 Ų133.662%0.6278%0.777SS**  trans105.994.3154.9-22.40000119.3
215E34.8Very low35.5Very low178 Ų178131.7 Ų131.783%0.83277%0.774SS**  trans82137.1134.688.4174.6-16600127
216A31.8Very low34.2Very low98 Ų98130.2 Ų130.281%0.8178%0.776SS**  trans60.1119.1141.400000122.8
217G30.7Very low34.3Very low76 Ų76129.1 Ų129.178%0.78478%0.78SS**  trans-161.5-5.3178.300000124.1
218R32.7Very low34.2Very low233 Ų233129.7 Ų129.788%0.87978%0.783SS**  trans60.6107.6163.2-170.4-167.1-54.3-95.4-2.2120.1
219C29.5Very low33.8Very low119 Ų119130.5 Ų130.580%0.80478%0.781SS**  trans52.8136.4145.7-51.20000120.5
220C35.3Very low33.4Very low111 Ų111137.1 Ų137.175%0.7579%0.789SS**  -163.8139.454.3-103.20000114.6
221R31.7Very low33.5Very low246 Ų246136.1 Ų136.193%0.92878%0.777SS**  trans50.1114.3143.5-59.9178.7178.5-90.2-0.7121.8
222G31.5Very low33.4Very low81 Ų81138.4 Ų138.484%0.83578%0.777SS**  127.4103.1105.500000120.5
223G32.8Very low33.3Very low73 Ų73140 Ų14075%0.75378%0.775SS**  trans72.1124.7159.700000116.2
224D33.3Very low33.1Very low145 Ų145136.7 Ų136.778%0.77576%0.764SS**  cis63.3132.920.1-137.1-136.1000113.7
225I40.1Very low32.9Very low151 Ų151139.5 Ų139.577%0.77477%0.77SS**  cis-133.5144.621.9-32-170.7000112.2
226G32.3Very low32.7Very low63 Ų63134.6 Ų134.665%0.64977%0.767SS**  trans-99.7156.8167.600000113.3
227C40.3Very low32.9Very low133 Ų133137.7 Ų137.790%0.89976%0.763SS**  trans-87127.6-174.8-44.10000112.8
228D33.8Very low33Very low120 Ų120143 Ų14364%0.64277%0.767SS**  trans-160.1146.5138.9-144.9-151.6000115.9
229R33.2Very low33.1Very low196 Ų196138.1 Ų138.174%0.7476%0.763SS**  trans29.5126.3140.2-169.6-168.5-34.3-136.8-3.7121.6
230F27.6Very low33.4Very low214 Ų214140 Ų14094%0.93977%0.765SS**  trans-143.5168.4136.5-117.8-83.5000112.2
231K34.1Very low34.2Very low145 Ų145140 Ų14063%0.6376%0.763SS**  trans-145.4154.3-167.6169.9177173.3-92.30109.6
232E33.3Very low34.2Very low145 Ų145135.6 Ų135.668%0.67876%0.758SS**  trans67153.6170.8-88.2146.7-175.900116.2
233E32.4Very low34.3Very low157 Ų157139.4 Ų139.473%0.73476%0.758SS**  cis-158.3170.5-14.8-149.7-155.694.900111.5
234S29.8Very low34.2Very low85 Ų85140.9 Ų140.959%0.59476%0.757SS**  trans72.5118.8146.2-105.80000124.7
235H29.9Very low34Very low160 Ų160140 Ų14074%0.74175%0.752SS**  trans61.5117.3130.6-11787.2000122.7K237H235-K237 VanDerWaalsContact NE2-CE 3.31Å; H235-K237 WeakPolarHBondContact NE2-CE 3.46Å
236G29.8Very low34.1Very low75 Ų75138 Ų13877%0.77375%0.751SS**  trans-159.5145.6157.200000109.1
237K37.9Very low34.1Very low164 Ų164142.6 Ų142.671%0.71376%0.756SS**  trans-129.1164.7-175.1-63.9-176.3-179.3177.10112H235H235-K237 VanDerWaalsContact NE2-CE 3.31Å; H235-K237 WeakPolarHBondContact NE2-CE 3.46Å
238E31.2Very low34.2Very low187 Ų187142.4 Ų142.487%0.87475%0.745SS**  trans70138.7171-54177.8123.800112.9
239T35.4Very low34.3Very low131 Ų131145.4 Ų145.480%0.80475%0.753SS**  cis-140.8141.433.654.10000114.8
240D36.6Very low34.2Very low159 Ų159139.2 Ų139.285%0.8575%0.75SS**  trans-100.2151153-84.8-53.5000108.1
241P50.7Low34.3Very low109 Ų109136.7 Ų136.771%0.70874%0.741SS**  -153.1-176.779.838.2-16.7000117
242L32.6Very low34.5Very low155 Ų155137 Ų13781%0.81275%0.745SS**  trans80.7124.8172.2-47.3178.3000114.1
243L34.3Very low34.6Very low161 Ų161136.6 Ų136.684%0.84374%0.743SS**  cis-136.9147.717-71.9169.1000113.9
244S30.5Very low34.7Very low103 Ų103138.6 Ų138.672%0.7274%0.744SS**  trans-78.6171.3158.6-117.10000110.3
245D27.3Very low34.6Very low127 Ų127139.8 Ų139.868%0.67975%0.748SS**  cis-151.5-16813.2-150.1-97.1000112.5
246S44Very low34.6Very low108 Ų108137.9 Ų137.976%0.75575%0.747SS**  trans-145.5104.1172.6-70.20000112.7
247E31Very low34.7Very low160 Ų160141 Ų14175%0.74874%0.742SS**  trans-95.9122.9168.5-74.6-138.964.400110.1
248L42.3Very low34.5Very low129 Ų129140.1 Ų140.168%0.67574%0.744SS**  74145.577.9-68.3163.2000112.6
249K35.3Very low34.8Very low183 Ų183138.7 Ų138.780%0.79674%0.742SS**  cis-155.7170.114.9-135.7148.5-173.3161.90108.3
250G31.4Very low35.4Very low67 Ų67138.9 Ų138.969%0.69175%0.745SS**  cis-145.5-151.1-300000109.3
251Q30.9Very low35.1Very low161 Ų161138.2 Ų138.275%0.75274%0.742SS**  cis-156.8157.516.5-167.1177.9-12.200111.4
252E38Very low34.2Very low150 Ų150137.7 Ų137.770%0.70174%0.741SS**  trans-15.1159166.6-62.7104.2-117.300121.4
253E34.6Very low34.2Very low138 Ų138135.1 Ų135.165%0.64574%0.742SS**  cis-156.4173.85.3-134-160145.800113.7
254R34.2Very low34.2Very low199 Ų199137 Ų13775%0.75174%0.743SS**  trans13.9149.9150.2-83.8-175.3169.4108.5-5.1121.4
255T28.6Very low34.7Very low109 Ų109137.4 Ų137.467%0.66974%0.743SS**  cis-166144.332.7-100000112
256T30.8Very low34.8Very low120 Ų120137.6 Ų137.674%0.73675%0.749SS**  50.3133.6121.4-64.80000120.6
257E31.3Very low34.2Very low142 Ų142139.2 Ų139.266%0.66476%0.755SS**  cis-164.6160.41.8-102.3-73.676.700111.3
258L33.2Very low34.3Very low144 Ų144136.5 Ų136.575%0.75475%0.753SS**  trans57.8136.1148.9-65.6167.2000124.6
259L37.6Very low33.8Very low157 Ų157135.3 Ų135.382%0.82276%0.756SS**  trans-89.7159.1147.9-65.2168.5000109.4
260P47.3Very low34.3Very low136 Ų136132.4 Ų132.488%0.88376%0.756SS**  -150.2-165.4101.340.2-21.9000115.9
261D30.1Very low35Very low144 Ų144135.2 Ų135.277%0.7776%0.762SS**  trans-83.2163.8-159179.942000118.4
262S33.1Very low34.9Very low99 Ų99132.1 Ų132.169%0.69276%0.764SS**  trans90.3145.1144.4-96.50000124.8
263A32Very low35Very low100 Ų100131.9 Ų131.983%0.82677%0.772SS**  trans93148.2154.200000122.6
264K34.5Very low35.9Very low201 Ų201130.9 Ų130.987%0.87478%0.778SS**  trans-86.5175.9178.3-70.5177.4179.7175.10110
265P41.2Very low35.9Very low112 Ų112133.7 Ų133.773%0.72779%0.788SS**  cis-157.2-176.631.646.8-24.3000120.6
266T29.2Very low35.9Very low131 Ų131132.2 Ų132.280%0.80480%0.795SS**  trans46.3121.1142.5-59.60000122.1
267T32.3Very low35.9Very low142 Ų142133.8 Ų133.887%0.87180%0.799SS**  -162.1171.6108.5-161.80000111.8
268S31.4Very low36.2Very low103 Ų103135.7 Ų135.772%0.7281%0.808SS**  trans-120.9158.6-150.360.70000118.3
269S33Very low36.2Very low103 Ų103133.6 Ų133.672%0.7281%0.812SS**  trans-24.5159.4146.5-51.60000116.4
270P46.4Very low35.8Very low123 Ų123130 Ų13080%0.79981%0.812SS**  cis-145.2172.146.338.8-17.2000119.4
271P45.3Very low35Very low125 Ų125127.6 Ų127.681%0.81280%0.804SS**  trans-94.4174.8178.139.1-36.7000114.1
272A28.9Very low35.2Very low97 Ų97126.6 Ų126.680%0.80280%0.803SS**  trans-100.9152.9177.300000113.7
273V38.9Very low35.1Very low144 Ų144129.5 Ų129.587%0.87381%0.806SS**  trans-140.2157.9174.2-970000111.2
274P55.2Low35Very low118 Ų118131.4 Ų131.477%0.76680%0.802SS**  trans-115.7157.2-154.640.8-33.3000116.7
275R32.8Very low34.9Very low257 Ų257130.9 Ų130.997%0.9780%0.8SS**  trans171.5165.4144-103.1169.4171.2176.5-2.7111.5
276G29.1Very low35.1Very low79 Ų79130.2 Ų130.281%0.81480%0.795SS**  trans134.785.5147.100000118.9
277N31.9Very low35.2Very low153 Ų153128.7 Ų128.782%0.81879%0.79SS**  trans-53.1146.4170.4-92.119.2000118.2
278Q36.8Very low34.9Very low181 Ų181128 Ų12885%0.84678%0.781SS**  trans84.3128.7136.2-75.6-159.2126.200125.4
279A32.8Very low35Very low101 Ų101130.4 Ų130.484%0.83579%0.785SS**  96.7128128.300000123.4
280G29.2Very low34.9Very low80 Ų80131 Ų13183%0.82579%0.789SS**  trans90.8152.415700000117.4
281A31.9Very low34.2Very low86 Ų86134.1 Ų134.171%0.71179%0.793SS**  cis-169.1173.2-2100000109.7
282T33Very low34.3Very low124 Ų124132.9 Ų132.976%0.76179%0.785SS**  trans64.3122.6168.648.10000117.6
283Q31.8Very low34.5Very low160 Ų160136.1 Ų136.175%0.74878%0.783SS**  69.4140.284.3-80.4-176.5-100.900114.4
284D29.4Very low34.1Very low139 Ų139135 Ų13574%0.74377%0.773SS**  cis-148.9-165.918-111.9-31.9000115.3
285K31.9Very low33Very low190 Ų190135 Ų13583%0.82677%0.77SS**  trans-160.2158.1-167156.9-175.4176.4-171.50109.5
286P45Very low33.1Very low99 Ų99128.4 Ų128.464%0.64376%0.759SS**  cis-135.7-167.816.140.1-20000117.1
287S31.6Very low33.4Very low99 Ų99130.4 Ų130.469%0.69276%0.755SS**  trans72.7156.9144.4-79.90000119.4
288D27.7Very low33.5Very low128 Ų128127.3 Ų127.368%0.68475%0.745SS**  cis-151.9179.8-7.1-129.6-56.9000114.3
289L33.5Very low33.3Very low152 Ų152125.2 Ų125.280%0.79674%0.74SS**  trans-28.3139.2171.4-68.2153.4000119.1
290S30.7Very low33.4Very low116 Ų116126.8 Ų126.881%0.81174%0.739SS**  -176167.211840.30000115
291H30.4Very low33.6Very low188 Ų188128.7 Ų128.787%0.8774%0.735SS**  trans-144.7177.6-178.6-112.453.2000106.2
292P48.9Very low33.7Very low99 Ų99129.5 Ų129.564%0.64374%0.735SS**  cis-137.3-162.3-2.829.5-4.3000113.8
293Q33Very low33.8Very low165 Ų165129.3 Ų129.377%0.77173%0.734SS**  trans76.3137.9161.2-63.3-167.40.900116.7
294N28.9Very low34.1Very low122 Ų122129.2 Ų129.265%0.65274%0.737SS**  cis-161.6171.72.5-115.5-17.2000108.8
295T32.2Very low34.5Very low116 Ų116130.3 Ų130.371%0.71274%0.737SS**  cis-156.1-162.38.5-8.50000109.6
296V35.8Very low34.9Very low120 Ų120126.7 Ų126.773%0.72774%0.736SS**  trans8682.2154.5-163.10000119.7
297T34.7Very low34.9Very low121 Ų121127.8 Ų127.874%0.74274%0.743SS**  trans54121.3133.166.70000124.6
298S35.1Very low35.7Very low87 Ų87129.3 Ų129.361%0.60875%0.75SS**  82.195.3122.369.30000123.9
299N32.5Very low36.4Very low137 Ų137128.7 Ų128.773%0.73376%0.756SS**  42.810312951.2-105.7000124.1
300V34.8Very low37.1Very low135 Ų135126 Ų12682%0.81876%0.756SS**  63.4121.7101.8173.70000121.5
301T33.7Very low38Very low120 Ų120126.4 Ų126.474%0.73676%0.756SS**  trans78.6106.3150.4-63.10000122.6
302S32.3Very low38.9Very low103 Ų103126.7 Ų126.772%0.7275%0.754SS**  175.7132.4122.1-73.80000108.2
303V36.6Very low38.7Very low120 Ų120128 Ų12873%0.72776%0.762SS**  6989.550.1-173.70000113.4
304I37.5Very low39.8Very low158 Ų158129.4 Ų129.481%0.8177%0.766SS**  trans-135.7105.8159.9-58.5-175.6000111
305H38Very low41.4Very low161 Ų161130.5 Ų130.575%0.74577%0.771SS**  trans11.8126.2147.3-47.895.2000121.2
306S39.5Very low42.4Very low115 Ų115136.9 Ų136.980%0.80478%0.783SS**PPolyproline II helixtrans-98.7150.4150.4-64.60000110.3
307P45.2Very low43.4Very low122 Ų122135 Ų13579%0.79278%0.775SS**PPolyproline II helixtrans-74.2146-176.629.9-35.2000113.1
308P49Very low44.5Very low131 Ų131137.1 Ų137.185%0.85178%0.781SS**PPolyproline II helixtrans-78.7137.3-177.631.3-34.7000112.7
309S42.9Very low45.7Very low114 Ų114136.7 Ų136.780%0.79778%0.782SS**PPolyproline II helixtrans-84.9142168.458.20000111.1
310A47.3Very low46.6Very low97 Ų97137.7 Ų137.780%0.80278%0.782SS**PPolyproline II helixtrans-70.6125.4-173.500000112.6
311P50.7Low47.3Very low124 Ų124138.3 Ų138.381%0.80578%0.78SS**PPolyproline II helixtrans-76.1137.9175.830.7-33.6000111.5
312K47.5Very low48Very low193 Ų193136.8 Ų136.884%0.83978%0.779SS**PPolyproline II helixtrans-73.4140.5177.2-64168.6-177.4172.90110.1K314K312-K314 PolarHBondContact O-N 2.75Å
313P46.3Very low49Very low126 Ų126138 Ų13882%0.81878%0.783SS**  trans-67.5105.2-175.526.7-34.7000111.9L315P313-L315 PolarHBondContact O-N 2.95Å
314K54.6Low49.2Very low195 Ų195137.6 Ų137.685%0.84879%0.785SS**  trans-90.195.8165.5-89.6-178.3172.91770109.4K312K312-K314 PolarHBondContact O-N 2.75Å
315L63.5Low49.4Very low145 Ų145135 Ų13576%0.75978%0.781SS**  trans-57.9159.2162.7-61.7170000110.1P313P313-L315 PolarHBondContact O-N 2.95Å
316W52.8Low49.5Very low251 Ų251133 Ų13395%0.95178%0.775SS**  trans79.337.1175.9-50.384000117.7
317S56.8Low49.5Very low81 Ų81138.2 Ų138.257%0.56678%0.778SS**  trans-100.4110.8159.6-75.50000110.7A319S317-A319 VanDerWaalsContact C-N 3.29Å; S317-A319 PolarHBondContact O-N 3.4Å
318L58.4Low49.2Very low165 Ų165137.6 Ų137.686%0.86478%0.775SS**  trans-85.13.8-177.8-148.475.8000113.9
319A60.2Low48.6Very low77 Ų77141.5 Ų141.564%0.63678%0.779SS**  trans-96-18.5-165.200000115.2S317 I321S317-A319 VanDerWaalsContact C-N 3.29Å; S317-A319 PolarHBondContact O-N 3.4Å; A319-I321 VanDerWaalsContact C-N 3.29Å; A319-I321 PolarHBondContact O-N 3.39Å
320E51.2Low48Very low158 Ų158138.7 Ų138.774%0.73877%0.768SS**G310 helixtrans-76.6-11-169.3-68177.3107.900114.3A322E320-A322 VanDerWaalsContact C-N 3.3Å; E320-A322 PolarHBondContact O-N 3.02Å
321I49.8Very low47.3Very low148 Ų148140.6 Ų140.676%0.75978%0.775SS**G310 helixtrans-80.5-8.5-178-19179.7000113.2A319A319-I321 VanDerWaalsContact C-N 3.29Å; A319-I321 PolarHBondContact O-N 3.39Å
322A47.8Very low46.4Very low88 Ų88137.8 Ų137.873%0.72777%0.769SS**G310 helixtrans-87-15.1-170.300000115E320E320-A322 VanDerWaalsContact C-N 3.3Å; E320-A322 PolarHBondContact O-N 3.02Å
323T53.4Low45.7Very low130 Ų130136.3 Ų136.380%0.79877%0.77SS**SBendtrans-140.351.6-166.4610000114.8
324S40.6Very low45.1Very low110 Ų110133.6 Ų133.677%0.76976%0.759SS**  trans-132.592.3166.165.10000111.4
325S41.8Very low44Very low105 Ų105132 Ų13273%0.73475%0.754SS**  trans-117.4123.2179-172.40000112.3R327S325-R327 PolarHBondContact O-NH1 2.81Å
326D39.9Very low42.5Very low117 Ų117132.8 Ų132.863%0.62675%0.754SS**  trans34.3121.8162.2-158.2-71000120.2C328D326-C328 PolarHBondContact OD1-N 3.08Å
327R40.8Very low41.3Very low225 Ų225125.2 Ų125.285%0.84975%0.745SS**  trans-147.787.1153.8-64.1-63-177-81.3-2.6110.6S325S325-R327 PolarHBondContact O-NH1 2.81Å
328C38.6Very low40.2Very low110 Ų110127.4 Ų127.474%0.74376%0.759SS**  trans-10894.6178.7-790000115.3D326D326-C328 PolarHBondContact OD1-N 3.08Å
329K35.6Very low39.4Very low212 Ų212126 Ų12692%0.92276%0.759SS**  trans-169.3149.7163.1-128.981.3170.3-171.60107.8
330G30.6Very low37.9Very low55 Ų55125.8 Ų125.857%0.56777%0.765SS**  cis145.7135.6-5.400000110.8
331S31.5Very low37Very low137 Ų137127.1 Ų127.196%0.95878%0.776SS**  trans60161.1-177.132.90000116
332G31.6Very low36.2Very low66 Ų66122.8 Ų122.868%0.6877%0.768SS**  cis165.9137.2-8.500000112.5
333D32.8Very low35.7Very low162 Ų162128 Ų12887%0.86678%0.778SS**  trans48.7131.9160.5-86.1-82.4000125.6
334A34Very low34.7Very low69 Ų69126.9 Ų126.957%0.5778%0.775SS**  80.1121.2126.400000124.3
335Q31.3Very low34.6Very low160 Ų160125.7 Ų125.775%0.74877%0.772SS**  78.7112.7122.8-75.2177.1-100.200123.3
336Q32.9Very low34.5Very low163 Ų163127.2 Ų127.276%0.76278%0.776SS**  71.1112.1109.4-170-178.4-3.200120.3
337A28.4Very low34.3Very low92 Ų92129 Ų12976%0.7679%0.785SS**  179.9142.5112.400000112.9
338C33.8Very low33.8Very low127 Ų127121.3 Ų121.386%0.85878%0.775SS**  trans-107.2160156.3-59.60000108.7
339P40.5Very low33.6Very low134 Ų134121.7 Ų121.787%0.8777%0.774SS**  -136.6173.2120.337.7-27.8000112.7
340G29.8Very low33.4Very low73 Ų73118.8 Ų118.875%0.75377%0.769SS**  trans-154.5175.8-17900000114.5
341L32.2Very low33.6Very low186 Ų186120.4 Ų120.497%0.97478%0.777SS**  trans-156.2143.4179.1-88.5139.4000107
342G31.9Very low33.6Very low58 Ų58119.5 Ų119.560%0.59877%0.771SS**  cis167.2154.4-9.900000112
343Q37.8Very low34.5Very low198 Ų198121.7 Ų121.793%0.92577%0.773SS**  trans73.1146.3176.2-51.7172.899.900115.5
344S31.6Very low34.4Very low106 Ų106119 Ų11974%0.74177%0.766SS**  cis-130.4140.62.9-96.90000109.9
345A38.8Very low34.6Very low85 Ų85127 Ų12770%0.70278%0.782SS**  70.7133.266.800000112.8
346V39.2Very low34.7Very low136 Ų136125.4 Ų125.482%0.82479%0.789SS**  cis-156.7170.7-0.8-104.70000107.5
347L35.7Very low34.9Very low156 Ų156123.1 Ų123.182%0.81779%0.79SS**  cis-139.4-158.35.6-123.1157.9000106.7T349L347-T349 HydrophobicContact CD2-CG2 4.04Å
348G32Very low36Very low62 Ų62124.2 Ų124.264%0.63979%0.79SS**  cis139.814112.700000108.9
349T34.1Very low36.1Very low118 Ų118126 Ų12672%0.72479%0.786SS**  cis-155.2152.1-0.845.20000112.6L347L347-T349 HydrophobicContact CD2-CG2 4.04Å
350N31.9Very low35.8Very low151 Ų151125 Ų12581%0.80778%0.78SS**  trans49.8107.1146.7-609000124.2
351A33.5Very low36.5Very low89 Ų89127.5 Ų127.574%0.73678%0.783SS**  36.7119.8120.100000123.7
352S32.2Very low36.7Very low118 Ų118126.2 Ų126.283%0.82578%0.777SS**  52154.4125.3-57.60000123
353P49.8Very low37.8Very low113 Ų113128.3 Ų128.373%0.73478%0.78SS**  cis-135.6179.11.142.5-25.7000117
354S31.2Very low38.1Very low104 Ų104126.4 Ų126.473%0.72778%0.776SS**  trans79.8122.6147.1-690000123.5
355R37.3Very low38Very low239 Ų239126.8 Ų126.890%0.90278%0.779SS**  trans69.6104.4145.2-69.2178.1166.7-110.8-1120.8
356S33.5Very low38.4Very low126 Ų126129.3 Ų129.388%0.88179%0.785SS**  -173.1161.5117.733.80000111.7
357S38.2Very low38.5Very low114 Ų114128.9 Ų128.980%0.79778%0.783SS**  trans-105.8170.8174.5-47.20000109.4
358P52Low39.1Very low116 Ų116129.1 Ų129.175%0.75378%0.784SS**  cis-137.5-1756.342.8-24.9000116.4
359Q34.2Very low39.3Very low164 Ų164132.2 Ų132.277%0.76680%0.796SS**  trans79.1113.3150.2-155.569.4-0.500120.5
360C35.7Very low39.7Very low112 Ų112138 Ų13876%0.75781%0.805SS**  trans65.7159.2169-65.60000116.9
361P43.7Very low40.4Very low126 Ų126136.2 Ų136.282%0.81880%0.801SS**  cis-122-158.7342.9-28000114.4
362L36.7Very low40.7Very low160 Ų160140.3 Ų140.384%0.83881%0.81SS**  trans-55.5167.7169-65.1164.7000113
363P54.8Low41.2Very low101 Ų101145.7 Ų145.766%0.65681%0.814SS**  cis-146.7-17323.845.6-25.9000117.9
364N43.6Very low40.6Very low158 Ų158149.8 Ų149.885%0.84582%0.816SS**  trans43.1121.2148.3-59.7-10.8000121.8
365S31Very low41.1Very low115 Ų115150.7 Ų150.780%0.80482%0.817SS**  trans-153.2143.6140.2-171.40000111.9
366T47Very low41.3Very low137 Ų137143 Ų14384%0.8480%0.8SS**  trans-122111.4-178.751.20000111.2
367V40.6Very low42.4Very low128 Ų128141.5 Ų141.578%0.77679%0.787SS**  trans-137.4108.2165-174.70000111.7
368L47.4Very low42.7Very low161 Ų161144.7 Ų144.784%0.84379%0.787SS**  trans12.8126.4148-52.6175.5000120
369S36.3Very low42.2Very low127 Ų127150.2 Ų150.289%0.88880%0.795SS**  -156.9148.6125.5-85.50000112.2
370R43.4Very low42.6Very low239 Ų239148.6 Ų148.690%0.90280%0.798SS**  trans-97.8178.1176.7-66.6179.1171.1116.8-8.4109.8
371P45.7Very low42.6Very low114 Ų114146.4 Ų146.474%0.7480%0.795SS**  -126.2150.1-52.234.8-21.5000110.8
372L41.3Very low42.3Very low174 Ų174151.8 Ų151.891%0.91180%0.801SS**  trans-125.2142171.9-71.7176.6000112.1Y374L372-Y374 PolarHBondContact O-N 3.44Å
373Y41Very low42.4Very low231 Ų231151 Ų15191%0.90680%0.802SS**  trans-63.7126.3178.5-76.5-109.7000110.2T375Y373-T375 PolarHBondContact O-N 3.23Å; Y373-T375 VanDerWaalsContact O-N 3.09Å
374Y37.9Very low41.7Very low200 Ų200152 Ų15278%0.78480%0.802SS**  trans-75.898.7168.9-173.2-97.5000109.6L372L372-Y374 PolarHBondContact O-N 3.44Å
375T42.5Very low41.6Very low123 Ų123154 Ų15476%0.75580%0.799SS**  trans-72.8133.8169.8-178.50000110.1Y373Y373-T375 PolarHBondContact O-N 3.23Å; Y373-T375 VanDerWaalsContact O-N 3.09Å
376S41.4Very low42Very low77 Ų77152.2 Ų152.254%0.53880%0.8SS.*  trans-80.7127-176.5-174.80000111.3F378S376-F378 PolarHBondContact O-N 2.85Å; S376-F378 VanDerWaalsContact O-N 3.07Å
377P56.5Low41.4Very low95 Ų95149.3 Ų149.362%0.61780%0.796SS**  trans-77.392.9175.131.5-33.4000110.9
378F44.4Very low41.6Very low180 Ų180147.7 Ų147.779%0.78979%0.791SS**PPolyproline II helixtrans-69.7127.9162.1-80.6-89000109.9S376 P380S376-F378 PolarHBondContact O-N 2.85Å; S376-F378 VanDerWaalsContact O-N 3.07Å; F378-P380 VanDerWaalsContact O-CD 3.24Å; F378-P380 WeakPolarHBondContact O-CD 3.28Å
379Y40.5Very low41.2Very low233 Ų233150 Ų15091%0.91480%0.795SS**PPolyproline II helixtrans-65.4119.3173.1-92.3-100.2000111
380P43.5Very low41.2Very low129 Ų129147.3 Ų147.384%0.83879%0.787SS**PPolyproline II helixtrans-95.4117171.114.84.5000109.8F378F378-P380 VanDerWaalsContact O-CD 3.24Å; F378-P380 WeakPolarHBondContact O-CD 3.28Å
381G34.8Very low41.6Very low67 Ų67141.6 Ų141.669%0.69178%0.781SS**  trans164.875.1174.500000116.1
382Y38.4Very low41.3Very low239 Ų239143.9 Ų143.994%0.93779%0.786SS**  -178.688.8129.5-109.8-75000110.5
383T38.6Very low41.2Very low142 Ų142144 Ų14487%0.87178%0.782SS**  trans-140.7126.2163.840.80000107.9
384N39Very low40.7Very low122 Ų122137.4 Ų137.465%0.65277%0.769SS**  trans-147.4142.5166.4-148.6-6.8000110.8
385Y42.8Very low40.6Very low200 Ų200134.1 Ų134.178%0.78477%0.765SS**  trans56.692.5176-50.3-59.3000119.1
386G39.2Very low40.6Very low79 Ų79136.8 Ų136.881%0.81477%0.769SS**  -90.2165.211900000109.4
387G34.2Very low40.1Very low75 Ų75136.9 Ų136.977%0.77378%0.782SS**  cis168.9-171-2.100000111.2
388S44.7Very low39.1Very low95 Ų95137.8 Ų137.866%0.66479%0.791SS**  trans65.1114.1170.8-171.10000118.6
389F39.3Very low38.9Very low209 Ų209135 Ų13592%0.91779%0.788SS**  172.6153.1114.1-80.5-58.5000109.3
390G36.5Very low38.7Very low71 Ų71130.9 Ų130.973%0.73279%0.787SS**  trans-122.4-149.5174.500000111
391P51.9Low39Very low118 Ų118131.5 Ų131.577%0.76679%0.789SS**  cis-138.2-173.4-11.742.3-24.6000114.6
392L38Very low39.4Very low163 Ų163132 Ų13285%0.85379%0.794SS**  trans67.6156.5169.7-53.5172000115.1
393H39.1Very low39.4Very low176 Ų176126 Ų12682%0.81579%0.787SS**  cis-152.9-169.328.5-161.6-105.4000112.1
394S31.3Very low39.5Very low93 Ų93125.1 Ų125.165%0.6578%0.782SS**  trans-100.5160.2-166-51.10000118.2
395N37Very low39.7Very low130 Ų130124.2 Ų124.270%0.69579%0.791SS**  trans91.7145.1138.3-110.238.3000123.6
396H41Very low40Very low179 Ų179121.4 Ų121.483%0.82979%0.785SS**  trans66.9146.7165.3-54.2-68.8000120.1
397G31.5Very low40.4Very low80 Ų80126.4 Ų126.483%0.82579%0.785SS**  trans151.287.8163.100000117.7
398S34.5Very low41.4Very low113 Ų113127.2 Ų127.279%0.7977%0.772SS**  trans-55.4140.6176.4176.40000117.2
399V41.9Very low41.8Very low121 Ų121124.5 Ų124.573%0.73376%0.759SS**  trans38.6118.7143.8-177.10000119.9
400T35.9Very low42.8Very low147 Ų147120.8 Ų120.890%0.90275%0.748SS**  trans-142.1158.7132.541.80000110.8
401T48.8Very low44Very low142 Ų142122 Ų12287%0.87174%0.737SS**  trans-91.8129.9-173.549.50000113.2
402G44.8Very low44.6Very low78 Ų78121.3 Ų121.380%0.80472%0.724SS**  trans162.1100.1167.100000112.4
403S36.6Very low46.3Very low113 Ų113117.6 Ų117.679%0.7971%0.708SS**  trans-138.497.9173.1-154.50000111.9
404T42.5Very low48Very low124 Ų124113.4 Ų113.476%0.76169%0.694SS**  trans-14.4127.5149.6-48.20000114.4H406T404-H406 PolarHBondContact O-N 3.36Å
405A43.3Very low49.8Very low103 Ų103113.5 Ų113.585%0.85169%0.687SS**  trans-60.2101.3-179.500000112.2F407A405-F407 PolarHBondContact O-N 2.93Å
406H47.9Very low51.6Low141 Ų141112.5 Ų112.565%0.65368%0.682SS**  trans-76.5120.1-177.9-129.1-92.4000111T404 N408 G409T404-H406 PolarHBondContact O-N 3.36Å; H406-N408 PolarHBondContact O-N 3.5Å; H406-G409 PolarHBondContact O-N 2.79Å
407F47.2Very low53.1Low183 Ų183112.5 Ų112.580%0.80368%0.675SS**THydrogen-bonded Turntrans-53.8-19.2-176.3-171.3-106.2000115A405A405-F407 PolarHBondContact O-N 2.93Å
408N55.9Low54.9Low93 Ų93111.1 Ų111.150%0.49766%0.655SS.*THydrogen-bonded Turntrans-73.8-27178.1-63.6-20.6000114.2H406 L410 N411 Q412H406-N408 PolarHBondContact O-N 3.5Å; N408-L410 PolarHBondContact O-N 2.83Å; N408-L410 VanDerWaalsContact O-N 3.13Å; N408-N411 PolarHBondContact O-N 3.07Å; N408-N411 VanDerWaalsContact O-N 3.15Å; N408-Q412 PolarHBondContact O-N 3.28Å
409G53.7Low56.6Low38 Ų38111 Ų11139%0.39264%0.642SS.*Hα-helixtrans-62-27.1-169.900000114.8H406 T413H406-G409 PolarHBondContact O-N 2.79Å; G409-T413 PolarHBondContact O-N 2.9Å; G409-T413 PolarHBondContact O-OG1 3.07Å
410L59.4Low57.9Low131 Ų131107.9 Ų107.969%0.68663%0.629SS**Hα-helixtrans-70.2-38.6-179.9-152.7149.8000111.3N408 T413 V414N408-L410 PolarHBondContact O-N 2.83Å; N408-L410 VanDerWaalsContact O-N 3.13Å; L410-T413 PolarHBondContact O-N 2.71Å; L410-V414 HydrophobicContact CD2-CG2 4.42Å; L410-V414 WeakPolarHBondContact O-CG2 3.25Å; L410-V414 PolarHBondContact O-N 3.18Å; L410-V414 VanDerWaalsContact O-N 3.13Å
411N61.7Low59.5Low96 Ų96105.5 Ų105.551%0.51361%0.61SS.*Hα-helixtrans-67-43.1175.7-71.3-76.3000112N408 T413 V414 L415N408-N411 PolarHBondContact O-N 3.07Å; N408-N411 VanDerWaalsContact O-N 3.15Å; N411-T413 VanDerWaalsContact C-N 3.31Å; N411-T413 PolarHBondContact O-N 2.89Å; N411-V414 PolarHBondContact O-N 3.2Å; N411-L415 WeakPolarHBondContact O-CG 3.49Å; N411-L415 PolarHBondContact O-N 2.77Å
412Q65.2Low60.5Low104 Ų104103.2 Ų103.249%0.48660%0.596SS.*Hα-helixtrans-61.6-38.6174.3-99.661.176.800112.3N408 L415 N416N408-Q412 PolarHBondContact O-N 3.28Å; Q412-L415 PolarHBondContact O-N 3Å; Q412-N416 PolarHBondContact O-N 3.45Å; Q412-N416 PolarHBondContact O-ND2 3.2Å
413T73.7Confident61.5Low84 Ų84107.8 Ų107.852%0.51559%0.589SS.*Hα-helixtrans-64.2-42177.4-56.30000112G409 L410 N411 R417G409-T413 PolarHBondContact O-N 2.9Å; G409-T413 PolarHBondContact O-OG1 3.07Å; L410-T413 PolarHBondContact O-N 2.71Å; N411-T413 VanDerWaalsContact C-N 3.31Å; N411-T413 PolarHBondContact O-N 2.89Å; T413-R417 PolarHBondContact O-N 2.87Å; T413-R417 VanDerWaalsContact O-N 3.15Å
414V73.9Confident62.8Low88 Ų88108.3 Ų108.353%0.53358%0.579SS.*Hα-helixtrans-67.1-42.4177.3173.10000111.5L410 N411 R417 A418L410-V414 HydrophobicContact CD2-CG2 4.42Å; L410-V414 WeakPolarHBondContact O-CG2 3.25Å; L410-V414 PolarHBondContact O-N 3.18Å; L410-V414 VanDerWaalsContact O-N 3.13Å; N411-V414 PolarHBondContact O-N 3.2Å; V414-R417 PolarHBondContact O-N 2.79Å; V414-A418 PolarHBondContact O-N 3.1Å
415L69Low63.5Low95 Ų95106.1 Ų106.150%0.49757%0.569SS.*Hα-helixtrans-62.4-45.2177.2-74.4166.4000112.4N411 Q412 R417 A418 E419N411-L415 WeakPolarHBondContact O-CG 3.49Å; N411-L415 PolarHBondContact O-N 2.77Å; Q412-L415 PolarHBondContact O-N 3Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 3.19Å; L415-A418 PolarHBondContact O-N 2.92Å; L415-A418 VanDerWaalsContact O-N 3.15Å; L415-E419 PolarHBondContact O-N 3.1Å
416N75.7Confident64.2Low110 Ų110108.1 Ų108.159%0.58856%0.561SS**Hα-helixtrans-61.8-37.4176-81.3-88.3000112.2Q412 A420Q412-N416 PolarHBondContact O-N 3.45Å; Q412-N416 PolarHBondContact O-ND2 3.2Å; N416-A420 PolarHBondContact O-N 3.05Å; N416-A420 VanDerWaalsContact O-N 3.1Å
417R73Confident64.7Low179 Ų179109.5 Ų109.568%0.67557%0.565SS**Hα-helixtrans-65.6-39.7174.1-171.3-176.8-66.3-176.9-1.3112T413 V414 L415 A420 L421T413-R417 PolarHBondContact O-N 2.87Å; T413-R417 VanDerWaalsContact O-N 3.15Å; V414-R417 PolarHBondContact O-N 2.79Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 3.19Å; R417-A420 PolarHBondContact O-N 3.24Å; R417-L421 WeakPolarHBondContact O-CG 3.48Å; R417-L421 PolarHBondContact O-N 2.98Å
418A67.9Low65.1Low50 Ų50105.2 Ų105.241%0.41355%0.553SS.*Hα-helixtrans-65.3-44.1176.400000112V414 L415 A420 L421 V422V414-A418 PolarHBondContact O-N 3.1Å; L415-A418 PolarHBondContact O-N 2.92Å; L415-A418 VanDerWaalsContact O-N 3.15Å; A418-A420 VanDerWaalsContact C-N 3.32Å; A418-A420 PolarHBondContact O-N 3.09Å; A418-L421 PolarHBondContact O-N 3.13Å; A418-V422 WeakPolarHBondContact O-CG2 3.29Å; A418-V422 PolarHBondContact O-N 3.46Å; A418-V422 VanDerWaalsContact O-N 3.13Å
419E70.1Confident64.9Low111 Ų111110.5 Ų110.552%0.51957%0.566SS.*Hα-helixtrans-63.1-35.5176.3-74.8-167.8-155.400113.1L415 V422 R423L415-E419 PolarHBondContact O-N 3.1Å; E419-V422 PolarHBondContact O-N 2.83Å; E419-R423 WeakPolarHBondContact O-CG 3.47Å; E419-R423 PolarHBondContact O-N 3.28Å; E419-R423 VanDerWaalsContact O-N 3.08Å
420A70.6Confident64.8Low56 Ų56110.7 Ų110.746%0.46357%0.569SS.*Hα-helixtrans-60.6-49.417500000111.8N416 R417 A418 V422 R423 E424N416-A420 PolarHBondContact O-N 3.05Å; N416-A420 VanDerWaalsContact O-N 3.1Å; R417-A420 PolarHBondContact O-N 3.24Å; A418-A420 VanDerWaalsContact C-N 3.32Å; A418-A420 PolarHBondContact O-N 3.09Å; A420-V422 VanDerWaalsContact C-N 3.31Å; A420-V422 PolarHBondContact O-N 3.19Å; A420-R423 PolarHBondContact O-N 3.32Å; A420-E424 PolarHBondContact O-N 3.33Å
421L68.5Low64.4Low97 Ų97110.8 Ų110.851%0.50857%0.566SS.*Hα-helixtrans-64-33.3179.2-66.8170.9000112.8R417 A418 S425R417-L421 WeakPolarHBondContact O-CG 3.48Å; R417-L421 PolarHBondContact O-N 2.98Å; A418-L421 PolarHBondContact O-N 3.13Å; L421-S425 WeakPolarHBondContact O-CB 3.47Å; L421-S425 PolarHBondContact O-N 2.89Å; L421-S425 PolarHBondContact O-OG 3.08Å
422V69.8Low63.9Low94 Ų94110.3 Ų110.357%0.5757%0.566SS**Hα-helixtrans-66.6-44.9173.7171.50000111A418 E419 A420 E424 S425 Q426A418-V422 WeakPolarHBondContact O-CG2 3.29Å; A418-V422 PolarHBondContact O-N 3.46Å; A418-V422 VanDerWaalsContact O-N 3.13Å; E419-V422 PolarHBondContact O-N 2.83Å; A420-V422 VanDerWaalsContact C-N 3.31Å; A420-V422 PolarHBondContact O-N 3.19Å; V422-E424 VanDerWaalsContact C-N 3.33Å; V422-E424 PolarHBondContact O-N 3.47Å; V422-S425 PolarHBondContact O-N 2.88Å; V422-Q426 WeakPolarHBondContact O-CB 3.39Å; V422-Q426 PolarHBondContact O-N 3.37Å
423R65.9Low63.1Low174 Ų174112.4 Ų112.466%0.65758%0.576SS**Hα-helixtrans-65.1-35.7177.3-69.5179.6-171.6-152.15.4112.6E419 A420 K427E419-R423 WeakPolarHBondContact O-CG 3.47Å; E419-R423 PolarHBondContact O-N 3.28Å; E419-R423 VanDerWaalsContact O-N 3.08Å; A420-R423 PolarHBondContact O-N 3.32Å; R423-K427 PolarHBondContact O-N 2.87Å
424E63.8Low62.1Low123 Ų123112.8 Ų112.858%0.57558%0.578SS**Hα-helixtrans-66.5-49.6174.9-173.8164.5-142.100111.4A420 V422 Q426 K427 V428A420-E424 PolarHBondContact O-N 3.33Å; V422-E424 VanDerWaalsContact C-N 3.33Å; V422-E424 PolarHBondContact O-N 3.47Å; E424-Q426 PolarHBondContact O-N 2.93Å; E424-K427 WeakPolarHBondContact O-CB 3.3Å; E424-K427 PolarHBondContact O-N 3.37Å; E424-K427 VanDerWaalsContact O-N 3.09Å; E424-V428 PolarHBondContact O-N 2.82Å; E424-V428 VanDerWaalsContact O-N 3.14Å
425S57.8Low60.8Low79 Ų79113.9 Ų113.955%0.55258%0.581SS**Hα-helixtrans-56.6-37.8174.7-58.30000112.6L421 V422 V428 R429L421-S425 WeakPolarHBondContact O-CB 3.47Å; L421-S425 PolarHBondContact O-N 2.89Å; L421-S425 PolarHBondContact O-OG 3.08Å; V422-S425 PolarHBondContact O-N 2.88Å; S425-V428 PolarHBondContact O-N 3.09Å; S425-R429 PolarHBondContact O-N 3.04Å; S425-R429 VanDerWaalsContact O-N 3.12Å
426Q57.5Low59.7Low145 Ų145116.9 Ų116.968%0.67860%0.596SS**Hα-helixtrans-71.6-30.4179.9-161.8169.72100112.7V422 E424 G430V422-Q426 WeakPolarHBondContact O-CB 3.39Å; V422-Q426 PolarHBondContact O-N 3.37Å; E424-Q426 PolarHBondContact O-N 2.93Å; Q426-G430 PolarHBondContact O-N 3.46Å
427K58.1Low58.2Low170 Ų170116.8 Ų116.874%0.73960%0.603SS**Hα-helixtrans-67.6-48.2169.6-88.8-172.1170.8-173.80112R423 E424 R429 G430 Q431R423-K427 PolarHBondContact O-N 2.87Å; E424-K427 WeakPolarHBondContact O-CB 3.3Å; E424-K427 PolarHBondContact O-N 3.37Å; E424-K427 VanDerWaalsContact O-N 3.09Å; K427-R429 VanDerWaalsContact C-N 3.29Å; K427-R429 PolarHBondContact O-N 2.9Å; K427-G430 PolarHBondContact O-N 3.29Å; K427-Q431 PolarHBondContact O-N 3.24Å; K427-Q431 VanDerWaalsContact O-N 3.14Å
428V57Low57Low93 Ų93116.7 Ų116.756%0.56461%0.608SS**Hα-helixtrans-56.7-45179.7175.70000110.9E424 S425 G430 Q431 T432E424-V428 PolarHBondContact O-N 2.82Å; E424-V428 VanDerWaalsContact O-N 3.14Å; S425-V428 PolarHBondContact O-N 3.09Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 3.43Å; V428-Q431 PolarHBondContact O-N 3.49Å; V428-T432 PolarHBondContact O-N 3.48Å; V428-T432 PolarHBondContact O-OG1 3.43Å
429R50.3Low55.7Low203 Ų203121.9 Ų121.977%0.76663%0.629SS**Hα-helixtrans-68.7-26.8178-169167.4-174.6154.34.6114.2S425 K427 T432S425-R429 PolarHBondContact O-N 3.04Å; S425-R429 VanDerWaalsContact O-N 3.12Å; K427-R429 VanDerWaalsContact C-N 3.29Å; K427-R429 PolarHBondContact O-N 2.9Å; R429-T432 PolarHBondContact O-OG1 3.29Å
430G52Low54.3Low43 Ų43122 Ų12244%0.44364%0.641SS.*Hα-helixtrans-71.4-33.7173.500000113Q426 K427 V428Q426-G430 PolarHBondContact O-N 3.46Å; K427-G430 PolarHBondContact O-N 3.29Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 3.43Å
431Q51.6Low53.4Low133 Ų133124.9 Ų124.962%0.62166%0.655SS**Hα-helixtrans-78.2-42.4-177.1-165.9158.1-9.800112.3K427 V428 Q433 V434K427-Q431 PolarHBondContact O-N 3.24Å; K427-Q431 VanDerWaalsContact O-N 3.14Å; V428-Q431 PolarHBondContact O-N 3.49Å; Q431-Q433 PolarHBondContact O-N 3.01Å; Q431-V434 WeakPolarHBondContact O-CG2 3.47Å; Q431-V434 PolarHBondContact O-N 3.43Å; Q431-V434 VanDerWaalsContact O-N 3.13Å
432T51.3Low52.1Low86 Ų86131 Ų13153%0.52867%0.673SS.*THydrogen-bonded Turntrans-63-14.9177.653.50000114.5V428 R429V428-T432 PolarHBondContact O-N 3.48Å; V428-T432 PolarHBondContact O-OG1 3.43Å; R429-T432 PolarHBondContact O-OG1 3.29Å
433Q47.4Very low50.8Low148 Ų148132.7 Ų132.769%0.69268%0.675SS**THydrogen-bonded Turntrans-87.6-21177.7-170.9170.3-3.600113.6Q431Q431-Q433 PolarHBondContact O-N 3.01Å
434V53.8Low50Low91 Ų91132.6 Ų132.655%0.55269%0.687SS**THydrogen-bonded Turntrans-87.5-26.4179.7-72.10000113.6Q431Q431-V434 WeakPolarHBondContact O-CG2 3.47Å; Q431-V434 PolarHBondContact O-N 3.43Å; Q431-V434 VanDerWaalsContact O-N 3.13Å
435D46Very low49Very low112 Ų112133.3 Ų133.360%0.59969%0.688SS**G310 helixtrans-79.7-20-177.8-64.2-42.7000113.5C437D435-C437 VanDerWaalsContact C-N 3.33Å; D435-C437 PolarHBondContact O-N 3.26Å
436L46.7Very low48.5Very low157 Ų157139.4 Ų139.482%0.82271%0.705SS**G310 helixtrans-80.4-5.4177.1-10373.3000114.9
437C44.3Very low47.7Very low108 Ų108136.2 Ų136.273%0.7371%0.711SS**G310 helixtrans-104.119.3-174.4-69.20000113.8D435D435-C437 VanDerWaalsContact C-N 3.33Å; D435-C437 PolarHBondContact O-N 3.26Å
438K46.4Very low47.1Very low177 Ų177137 Ų13777%0.7772%0.719SS**  trans-135.328-169.7-78-167.9178179.20116.7
439D40.2Very low47Very low160 Ų160138 Ų13886%0.85673%0.73SS**  trans-133.2102.4164.7-94.7-51.4000112.3
440S40.8Very low47Very low112 Ų112136 Ų13678%0.78374%0.735SS**  trans-159.788.3165.2-170.60000110.5
441P53.2Low46.9Very low117 Ų117145.5 Ų145.576%0.7677%0.773SS**  trans-84137167.232.3-30.8000111
442Y40.8Very low46.7Very low226 Ų226146.2 Ų146.289%0.88678%0.78SS**  trans-85.3177.1174.9-130.3-108.8000111.7
443E41.2Very low46.4Very low129 Ų129149.3 Ų149.360%0.60379%0.794SS**  trans68.2106.2176.4-74.9-129.396.100118.5K445E443-K445 IonicContact OE1-NZ 2.69Å; E443-K445 PolarHBondContact OE1-NZ 3.04Å; E443-K445 IonicContact OE2-NZ 2.85Å; E443-K445 PolarHBondContact OE2-NZ 3.33Å
444L49.9Very low46.4Very low172 Ų172149.4 Ų149.490%0.90180%0.799SS**  trans-144.556.3133.8-124.6167.9000113.7
445K43.5Very low46Very low139 Ų139152.8 Ų152.860%0.60481%0.814SS**  34.5110.1128.8-146.8-178.5-142.6900118.7E443E443-K445 IonicContact OE1-NZ 2.69Å; E443-K445 PolarHBondContact OE1-NZ 3.04Å; E443-K445 IonicContact OE2-NZ 2.85Å; E443-K445 PolarHBondContact OE2-NZ 3.33Å
446K46.2Very low45.9Very low207 Ų207155.4 Ų155.490%0.983%0.827SS**  trans69.4104.9141-172.5-177.4-179-178.90118.2
447G40.3Very low45.9Very low78 Ų78155.3 Ų155.380%0.80483%0.828SS**  trans-166.332.7176.500000118
448M46.3Very low46Very low187 Ų187158.6 Ų158.692%0.92184%0.835SS**  trans-128.1112.5172.3-73.5179.571.700111.1
449S54.2Low46Very low114 Ų114157.2 Ų157.280%0.79784%0.84SS**  trans-153.2112.1171.1-69.30000109.6
450N51.8Low46.5Very low160 Ų160157 Ų15786%0.85684%0.838SS**  trans43.4110.5160.2-53.2-8.4000119.1
451I49.3Very low47Very low243 Ų243161.1 Ų161.1100%1.24684%0.843SS**  -144.80100.4-113.3168.6000109.6

Retrieved 451 of 451 residues in 254.3 ms (Link to these results)