A0A087YDI5_POEFO Loading...

Iroquois homeobox 6a

AlphaFold DB , UniProt , Accession A0A087YDI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M49.7Very low43Very low246 Ų246160.9 Ų160.9100%1.21282%0.823SS**  0137.90-73.7176.7163.600108
2S36.4Very low42.9Very low108 Ų108154.5 Ų154.576%0.75581%0.812SS**PPolyproline II helixtrans-94.2126.5-176.447.70000111.2
3F43.6Very low42.5Very low215 Ų215151.3 Ų151.394%0.94380%0.803SS**PPolyproline II helixtrans-85.8116.9163.2-95.3-88000109.2
4S46.9Very low42.3Very low110 Ų110148 Ų14877%0.76980%0.798SS**PPolyproline II helixtrans-87.5140.3178.3-67.50000111.9
5Q51.5Low42.3Very low156 Ų156147.4 Ų147.473%0.72979%0.788SS**PPolyproline II helixtrans-63.1152.1168.4177177.8-3.200112.3
6F43.1Very low42.2Very low171 Ų171151.1 Ų151.175%0.7580%0.795SS**  trans144.3150.6143-83.7-67.6000115.2Y8F6-Y8 HydrophobicContact CD1-CD2 4.24Å; F6-Y8 AromaticContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CE1-CE2 4.06Å
7G37.2Very low42Very low65 Ų65152.4 Ų152.467%0.6779%0.794SS**  trans107.291.8179.400000112.2
8Y37.3Very low41.8Very low202 Ų202152 Ų15279%0.79280%0.798SS**  60.714553.7-68.5-69.4000115.1F6F6-Y8 HydrophobicContact CD1-CD2 4.24Å; F6-Y8 AromaticContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CE1-CE2 4.06Å
9P50Low41.3Very low106 Ų106149.1 Ų149.169%0.68879%0.792SS**  cis-126153.8-3.638.4-23.6000115.2
10Y39.6Very low40.9Very low244 Ų244146.7 Ų146.796%0.95779%0.794SS**  trans-93.3119.9143.9-91.2-84.3000107.4
11N38.2Very low40.6Very low147 Ų147146.5 Ų146.579%0.78679%0.792SS**  trans-111.6144.1169.9-169.122.3000109.7
12A41Very low40.5Very low84 Ų84139.9 Ų139.969%0.69477%0.768SS**  trans-129.3129.2-17700000110.6
13T37.6Very low40.5Very low113 Ų113140.2 Ų140.269%0.69377%0.771SS**  trans-165.3114.5159.527.70000111.4
14S40.5Very low40.3Very low105 Ų105136.4 Ų136.473%0.73477%0.765SS**  trans178.974.1133.9-165.60000106.5
15Q42.2Very low39.8Very low139 Ų139138 Ų13865%0.6577%0.77SS**  41.396.581.1-65.9-155.927.100113.7
16F40.4Very low38.9Very low206 Ų206135.9 Ų135.990%0.90477%0.771SS**  trans-133.2112.1138.7-93.3-77.2000107.8
17F39.2Very low38.4Very low174 Ų174133.8 Ų133.876%0.76378%0.776SS**  trans-92.4133.6168.6-80.3-90.4000109.3
18V38.9Very low38.1Very low145 Ų145136.6 Ų136.688%0.87978%0.776SS**  trans-135.6110.6138.2-177.90000108.9
19S30.6Very low37.9Very low96 Ų96131.9 Ų131.967%0.67177%0.773SS**  trans-11.2120.1164.8-179.90000118.2
20A35.1Very low37Very low102 Ų102132.7 Ų132.784%0.84377%0.77SS**  trans-96.9135.6140.800000108.2
21N33.9Very low36.7Very low142 Ų142126.8 Ų126.876%0.75977%0.765SS**  trans-131.5119.9176.9-164.422.9000109.5
22P48.3Very low36.6Very low107 Ų107131 Ų13170%0.69577%0.769SS**  trans-88.5145-173.934.2-34.2000112.6
23S34.8Very low36.3Very low116 Ų116132.3 Ų132.381%0.81177%0.773SS**  trans-150.7100.8165.4-74.10000110.1
24T39.2Very low36.1Very low134 Ų134133.7 Ų133.782%0.82278%0.781SS**  trans-110108.3173.549.90000109.9
25T37.8Very low35.9Very low143 Ų143133.3 Ų133.388%0.87778%0.779SS**  trans-151.5151.3156.7-2.80000111.4
26C31.2Very low35.5Very low112 Ų112134.6 Ų134.676%0.75779%0.79SS**  trans-82.5155177.5490000112.2
27C33.3Very low35.2Very low127 Ų127128.5 Ų128.586%0.85879%0.785SS**  trans-119.7102.2152.3-71.90000107.9
28D30.1Very low35.1Very low124 Ų124127.4 Ų127.466%0.66379%0.793SS**  trans-68.9152.2159.9-170.1-8.5000108.6I30D28-I30 PolarHBondContact OD1-N 3.4Å
29S34.8Very low34.9Very low104 Ų104123.8 Ų123.873%0.72779%0.785SS**  trans-143.961.8179.1-730000110.9S31S29-S31 PolarHBondContact O-N 3.41Å
30I31.2Very low35Very low123 Ų123124.5 Ų124.563%0.63179%0.79SS**  trans-57.8114.6162.3-75.4169.1000109.8D28 R32D28-I30 PolarHBondContact OD1-N 3.4Å; I30-R32 HydrophobicContact CG2-CG 4.01Å; I30-R32 PolarHBondContact O-N 3.21Å
31S33.3Very low35.1Very low120 Ų120123.9 Ų123.984%0.83978%0.78SS**  trans-72.7115.2166.5-65.30000110.5S29S29-S31 PolarHBondContact O-N 3.41Å
32R35.8Very low35.3Very low235 Ų235125.1 Ų125.189%0.88778%0.781SS**  trans-133.5139161.7-79.1-171.7176.7-96.7-1.3111.3I30I30-R32 HydrophobicContact CG2-CG 4.01Å; I30-R32 PolarHBondContact O-N 3.21Å
33S34.5Very low34.7Very low111 Ų111125.9 Ų125.978%0.77678%0.784SS**  trans-108.8131.4-174.154.40000112.3
34V33.6Very low34.6Very low142 Ų142125.1 Ų125.186%0.86179%0.785SS**  trans-173.3157.2148.4-93.90000106
35S36.2Very low34.3Very low97 Ų97124 Ų12468%0.67879%0.789SS**  cis163.7142.3-22.8-88.70000104.5
36D34.1Very low34Very low166 Ų166122.2 Ų122.289%0.88879%0.789SS**  trans64.9141.4170-57.2-48000119.7
37G34.2Very low34.3Very low78 Ų78122 Ų12280%0.80480%0.795SS**  trans160.753.7-17400000114.6
38T36.7Very low34.4Very low152 Ų152120.6 Ų120.693%0.93379%0.792SS**  trans-66.6129.1-175.6-48.70000113.4
39G33.3Very low34.5Very low69 Ų69119.7 Ų119.771%0.71180%0.802SS**  trans-174.395175.800000118.7
40S33.7Very low34.6Very low111 Ų111118.6 Ų118.678%0.77680%0.8SS**  trans49.994144.1-155.40000122.6
41S36.3Very low34.7Very low89 Ų89118 Ų11862%0.62281%0.806SS**  75.2134.311979.90000124.3
42Q39.2Very low34.8Very low167 Ų167121.8 Ų121.878%0.7881%0.808SS**  trans93.2118.4142.2-77.5177.7102.700123.1
43T34.9Very low34.7Very low123 Ų123116 Ų11676%0.75580%0.802SS**  trans70.397.3141.452.90000122.4
44A33Very low34.5Very low101 Ų101116.6 Ų116.684%0.83581%0.805SS**  62.5109.8119.200000121.8
45A34.1Very low34.6Very low109 Ų109115.9 Ų115.990%0.90180%0.803SS**  -160.4160121.700000109.7
46A31.1Very low34.3Very low107 Ų107116.5 Ų116.588%0.88481%0.808SS**  trans-109.4138.7-176.500000113.1
47A36Very low34.1Very low108 Ų108118.1 Ų118.189%0.89380%0.803SS**  trans-147.6148.4157.500000108
48A35.8Very low34.2Very low96 Ų96121.8 Ų121.879%0.79380%0.799SS**  trans-123.6148.5-16500000113.7
49A33.1Very low34.3Very low105 Ų105120.5 Ų120.587%0.86879%0.786SS**  trans62.2157157.300000117.7
50A36.1Very low34.7Very low82 Ų82126.9 Ų126.968%0.67879%0.789SS**  cis-138148.5-1.600000110.6F52A50-F52 HydrophobicContact CB-CD2 4.42Å
51S34.1Very low34.8Very low109 Ų109128 Ų12876%0.76279%0.786SS**  trans-85.1134.3159.5-179.30000108.9
52F35.4Very low35Very low201 Ų201131.3 Ų131.388%0.88280%0.795SS**  trans-142.7133.8165.6-104.8-80.2000110.5A50A50-F52 HydrophobicContact CB-CD2 4.42Å
53C32.6Very low34.6Very low114 Ų114127.9 Ų127.977%0.7780%0.796SS**PPolyproline II helixtrans-81.4145.6-167.7-55.50000113.4
54C31.1Very low34.4Very low123 Ų123127.9 Ų127.983%0.83180%0.801SS**PPolyproline II helixtrans-72.9132.1153.8-61.20000109.3
55P36.6Very low34.5Very low126 Ų126128.5 Ų128.582%0.81880%0.799SS**PPolyproline II helixtrans-75.8130.1173.129.9-32.6000110.9
56S28.5Very low34.6Very low111 Ų111134.3 Ų134.378%0.77680%0.798SS**PPolyproline II helixtrans-75.7143.6165.9-172.80000110.2E58S56-E58 PolarHBondContact O-N 3.12Å; S56-E58 VanDerWaalsContact O-N 3.15Å
57Y31.3Very low35.2Very low199 Ų199135.1 Ų135.178%0.7879%0.792SS**  trans-86.677.4174.8-170.5-102.1000110.5N59Y57-N59 HydrophobicContact CD1-CB 4.44Å; Y57-N59 HydrophobicContact CE1-CB 4.07Å
58E34.9Very low35.5Very low155 Ų155139 Ų13972%0.72479%0.791SS**  trans-66.7134.9164.7-94.3-69.4163.900110.2S56S56-E58 PolarHBondContact O-N 3.12Å; S56-E58 VanDerWaalsContact O-N 3.15Å
59N40.1Very low35.7Very low126 Ų126142.7 Ų142.767%0.67480%0.797SS**  trans-132.578.3-177.3-166.3-4.3000110.4Y57Y57-N59 HydrophobicContact CD1-CB 4.44Å; Y57-N59 HydrophobicContact CE1-CB 4.07Å
60R40.7Very low36.1Very low202 Ų202145.5 Ų145.576%0.76280%0.797SS**  trans-147.2126.9-179-117.3-173.6-179.4-111.2-2.5115
61L36.4Very low36.7Very low135 Ų135146.6 Ų146.671%0.70781%0.806SS**  trans86.6145151.6-55175.7000120.3
62L40.9Very low37.2Very low158 Ų158145.3 Ų145.383%0.82780%0.802SS**  trans64.8109.7172.6-50.2-175.7000114.8
63A29.9Very low37.6Very low96 Ų96144.4 Ų144.479%0.79381%0.806SS**  cis63.276.515.300000115.5
64S31.2Very low38.4Very low122 Ų122142.2 Ų142.285%0.85380%0.803SS**  trans-163.794.7149.1-175.70000112.8
65S35.1Very low39Very low115 Ų115144 Ų14480%0.80480%0.801SS**  trans-153.989.616262.70000112.8
66R35.5Very low39.5Very low231 Ų231149.9 Ų149.987%0.87281%0.808SS**  trans45109.5147.4-77.4-180166.1142-2.4120.1
67T43.7Very low40.1Very low123 Ų123147.9 Ų147.976%0.75581%0.806SS**  30.8100.7118.457.10000118.1
68E42Very low40.1Very low190 Ų190143.3 Ų143.389%0.88880%0.803SS**  178.391.7123.5-99.8174.2-138.100110.4
69L40.9Very low40.6Very low173 Ų173141.7 Ų141.791%0.90681%0.805SS**  trans-135.559.8176.5-74.9177.3000111.2
70N41.6Very low40.7Very low165 Ų165146.2 Ų146.288%0.88282%0.815SS**SBendtrans-139.837.4170.2-161.227.1000112.3
71A47.7Very low40.9Very low104 Ų104141.1 Ų141.186%0.8682%0.816SS**SBendtrans-141.515.3-173.900000114.1
72A44.1Very low41.3Very low83 Ų83139.2 Ų139.269%0.68682%0.82SS**  trans-118.913.5-167.400000115.3G74A72-G74 VanDerWaalsContact C-N 3.34Å; A72-G74 PolarHBondContact O-N 3.28Å
73L45.4Very low41.3Very low181 Ų181136.5 Ų136.595%0.94882%0.82SS**SBendtrans-93.420.5-175.8-121.4162.6000114
74G48.1Very low41.9Very low69 Ų69136.3 Ų136.371%0.71182%0.819SS**  trans-117.214-172.400000116.2A72A72-G74 VanDerWaalsContact C-N 3.34Å; A72-G74 PolarHBondContact O-N 3.28Å
75M44.1Very low42.4Very low160 Ų160135.4 Ų135.479%0.78882%0.818SS**  trans-98.813.6-168.9-84.3-95.355.100116.3
76Y48Very low42.7Very low249 Ų249134.8 Ų134.898%0.97682%0.82SS**  trans-122.478.4168.5-82.8-84.9000110.9
77G41.1Very low42.7Very low70 Ų70128.4 Ų128.472%0.72281%0.811SS**  trans-136.9126.3173.800000111
78S30.6Very low42.4Very low103 Ų103130.8 Ų130.872%0.7281%0.814SS**  trans-80133.1-174.8-174.20000112Y80S78-Y80 PolarHBondContact O-N 3.15Å
79P45Very low42Very low120 Ų120129.8 Ų129.878%0.77981%0.814SS**THydrogen-bonded Turntrans-80.618.5-165.733.3-38.3000115.7
80Y41.8Very low41.6Very low221 Ų221131.9 Ų131.987%0.86781%0.812SS**THydrogen-bonded Turntrans-96.33.2-167.7-125.5-88000116.2S78S78-Y80 PolarHBondContact O-N 3.15Å
81A45.7Very low41.1Very low95 Ų95127.6 Ų127.679%0.78580%0.799SS**SBendtrans-103.4-1.4-17200000115.7
82A44.3Very low40.2Very low96 Ų96130.4 Ų130.479%0.79380%0.8SS**SBendtrans-97.24.4-168.600000115.8
83A42.5Very low39.9Very low100 Ų100136.9 Ų136.983%0.82681%0.808SS**SBendtrans-99.1-3.1-17200000115.4
84A42.3Very low39.8Very low93 Ų93137.1 Ų137.177%0.76980%0.802SS**SBendtrans-102.54.1-167.200000115.7
85A41.8Very low39.6Very low102 Ų102139.6 Ų139.684%0.84381%0.805SS**SBendtrans-112.88.6-165.500000115.7
86A40.1Very low39.2Very low102 Ų102142.3 Ų142.384%0.84381%0.808SS**SBendtrans-127.218.4-165.300000115.7
87S35.6Very low38.4Very low98 Ų98136 Ų13669%0.68580%0.8SS**  trans-126.854.5-170.466.10000114.5
88Q38.3Very low38.1Very low173 Ų173138.5 Ų138.581%0.80880%0.802SS**  trans-144.475.2168.4-71.9-60.9-8.700112.5
89N32.4Very low38.1Very low169 Ų169140.6 Ų140.690%0.90481%0.805SS**  trans-158.8160.1143.2-126.3-42.5000112.6
90Y32.7Very low38.1Very low216 Ų216140 Ų14085%0.84780%0.802SS**  trans-106.9149.4-156-126.4-112.9000115.1
91A31Very low38Very low75 Ų75135.4 Ų135.462%0.6280%0.802SS**  trans49.5126.4152.400000121.5
92N30.4Very low37.6Very low163 Ų163135.5 Ų135.587%0.87280%0.802SS**  -153.9169118.9-117.1-78.2000112.8
93Y37.2Very low37.4Very low219 Ų219137.4 Ų137.486%0.85980%0.798SS**  trans-87.3152.5-161.8-95.5-110000116.2
94F42.1Very low37Very low186 Ų186143.1 Ų143.182%0.81680%0.799SS**  trans-87.6144.5156.4-88.5-85000111.2
95P43.7Very low36.5Very low121 Ų121143.3 Ų143.379%0.78680%0.795SS**  trans-115.2134151.234.4-24.4000111.9
96Y36.8Very low36.3Very low217 Ų217144.3 Ų144.385%0.85179%0.791SS**  trans-91147.4170.6-98.7-98.9000111.1
97S31.4Very low36.1Very low116 Ų116146.8 Ų146.881%0.81179%0.789SS**  trans-156.9173.7156-156.10000111.4
98T34.1Very low36.4Very low124 Ų124149 Ų14976%0.76179%0.793SS**  trans-135.5154.3-148.852.80000116.8
99D31.5Very low36.9Very low147 Ų147146 Ų14679%0.78679%0.789SS**  trans79.3133.7153.2-15649.6000120
100P44.9Very low36.9Very low108 Ų108145.8 Ų145.870%0.70178%0.783SS**  trans-126.1121.7173.137.2-21.9000114.8
101S38.9Very low37.1Very low124 Ų124145.1 Ų145.187%0.86778%0.78SS**  trans-162.686.1163.3-87.30000116.3
102A37.5Very low37.1Very low97 Ų97148.7 Ų148.780%0.80279%0.789SS**  trans-167.4150149.900000105.8
103I40.2Very low37.9Very low136 Ų136146.3 Ų146.370%0.69778%0.775SS**  cis-137.8146.222.7-51.8171.5000107.7
104Y33.8Very low37.9Very low219 Ų219144.7 Ų144.786%0.85977%0.772SS**  167.299.8124.3-88.1-64.8000112.6
105S32.9Very low37.5Very low98 Ų98142.9 Ų142.969%0.68577%0.771SS**  trans-79.9160.6137.1-52.40000107.3
106T37.3Very low37Very low122 Ų122141.8 Ų141.875%0.74877%0.767SS**  cis-166178.818.4-19.10000110.3
107L36.2Very low36.9Very low155 Ų155138.2 Ų138.281%0.81277%0.767SS**  trans75.892.3152.6-70158.2000119.7
108N40.6Very low37.1Very low143 Ų143136.3 Ų136.377%0.76577%0.766SS**  trans-65.7144.5142.4167.536.2000110.9Q110N108-Q110 PolarHBondContact OD1-N 3.43Å
109P49.2Very low37.3Very low112 Ų112137.1 Ų137.173%0.72777%0.771SS**  trans-131.1120.9141.235.2-23.2000114.8
110Q31.9Very low37.6Very low164 Ų164137.7 Ų137.777%0.76677%0.773SS**  trans37121.6144.3-63.5-165-26.800122.3N108N108-Q110 PolarHBondContact OD1-N 3.43Å
111Y36.7Very low37.3Very low201 Ų201141.5 Ų141.579%0.78878%0.781SS**  36.1121.4124.4-70.8-80.7000120.8I113Y111-I113 HydrophobicContact CD1-CD1 3.54Å; Y111-I113 HydrophobicContact CE1-CD1 3.89Å
112D32.4Very low37.3Very low150 Ų150140.8 Ų140.880%0.80278%0.776SS**  -136.3149.5119.2-171.4-140.8000109.8
113I45.8Very low37.2Very low114 Ų114139.5 Ų139.559%0.58577%0.772SS**  trans-115.6127.5176.1-95.976.8000108.9Y111Y111-I113 HydrophobicContact CD1-CD1 3.54Å; Y111-I113 HydrophobicContact CE1-CD1 3.89Å
114K37.9Very low37.1Very low185 Ų185141.1 Ų141.180%0.80478%0.781SS**  trans-154.379.6163.8-157.6165-172171.20114.3
115D34.9Very low37.5Very low147 Ų147136.2 Ų136.279%0.78677%0.773SS**  trans-66.4143.4165.6-75.4-73.8000112
116S31.9Very low37.7Very low99 Ų99141 Ų14169%0.69279%0.785SS**  trans-154.7101163.8-760000112
117T35.3Very low37.8Very low142 Ų142141 Ų14187%0.87179%0.785SS**  trans58.6110.2152.257.10000120.7
118G35.5Very low38Very low75 Ų75138.1 Ų138.177%0.77378%0.784SS**  trans87.2125.3148.800000115.7
119T38.3Very low37.8Very low142 Ų142136 Ų13687%0.87179%0.786SS**  cis-146.8142.214.4-640000110H121T119-H121 PolarHBondContact O-N 3.41Å
120L37.5Very low37.3Very low159 Ų159140 Ų14083%0.83279%0.788SS**  trans-69.9120.4-172.7-68.3171.9000113.1
121H39Very low37.8Very low188 Ų188142.3 Ų142.387%0.8779%0.792SS**  trans-118.9103.2150.7-151.892.5000107.7T119T119-H121 PolarHBondContact O-N 3.41Å
122S38.2Very low38.4Very low109 Ų109137.3 Ų137.376%0.76278%0.783SS**  trans-160.3135.1-177-71.30000108.9
123G35Very low39Very low70 Ų70139.2 Ų139.272%0.72278%0.781SS**  cis-132.1-152-7.100000111
124I40Very low38.8Very low170 Ų170139.2 Ų139.287%0.87278%0.782SS**  cis-138.6153.414-86.1175.7000110.9
125T40.4Very low39.4Very low115 Ų115137.9 Ų137.971%0.70678%0.778SS**  trans-69.5148.6176.947.60000113.8
126Q37.8Very low40.4Very low198 Ų198134.8 Ų134.893%0.92577%0.768SS**  trans-140.4161.1132-79-148.95.500109.7
127T39.2Very low41.5Very low122 Ų122137.3 Ų137.375%0.74877%0.773SS**  trans-120.9135.6-148.549.70000115
128A41.1Very low42Very low95 Ų95133.8 Ų133.879%0.78577%0.765SS**  trans42.9116.7143.700000120.7
129A35.9Very low42.4Very low100 Ų100138.8 Ų138.883%0.82677%0.768SS**  trans-133.757.2142.400000109.3Y131A129-Y131 PolarHBondContact O-N 3.17Å
130Y39.2Very low42.5Very low196 Ų196142 Ų14277%0.76977%0.766SS**  trans-83.7106.5-176.1176.8-99000110.8P132Y130-P132 HydrophobicContact CD1-CB 4.49Å; Y130-P132 HydrophobicContact CD1-CG 4.43Å; Y130-P132 HydrophobicContact CE1-CB 3.73Å; Y130-P132 HydrophobicContact CE1-CG 4.04Å; Y130-P132 WeakPolarHBondContact O-CD 3.32Å
131Y42.1Very low43Very low212 Ų212142.3 Ų142.383%0.83176%0.763SS**  trans-90.7111.6163-82.2-85.4000109.1A129 Y133A129-Y131 PolarHBondContact O-N 3.17Å; Y131-Y133 PolarHBondContact O-N 3.31Å
132P49.2Very low43Very low95 Ų95144.1 Ų144.162%0.61776%0.763SS**  trans-72.197.6165.728.5-29.9000108.6Y130Y130-P132 HydrophobicContact CD1-CB 4.49Å; Y130-P132 HydrophobicContact CD1-CG 4.43Å; Y130-P132 HydrophobicContact CE1-CB 3.73Å; Y130-P132 HydrophobicContact CE1-CG 4.04Å; Y130-P132 WeakPolarHBondContact O-CD 3.32Å
133Y45.3Very low43.6Very low190 Ų190146 Ų14675%0.74577%0.765SS**  trans-78134.4171.6-152.7-88.8000109.3Y131 H135Y131-Y133 PolarHBondContact O-N 3.31Å; Y133-H135 PolarHBondContact O-N 3.12Å
134D40.8Very low44.3Very low114 Ų114153.7 Ų153.761%0.6177%0.772SS**  trans-72.7114.5176.3-175.8-1000109.8S136D134-S136 VanDerWaalsContact CG-OG 3.28Å; D134-S136 WeakPolarHBondContact OD1-CB 3.38Å; D134-S136 PolarHBondContact OD1-N 3.29Å; D134-S136 PolarHBondContact OD1-OG 3.07Å; D134-S136 PolarHBondContact OD2-OG 3.07Å
135H52.1Low44.4Very low157 Ų157157.4 Ų157.473%0.72778%0.777SS**  trans-96.15.9179.4-78.7-63.8000113.6Y133 L137Y133-H135 PolarHBondContact O-N 3.12Å; H135-L137 PolarHBondContact O-N 3.1Å
136S55.9Low44.6Very low82 Ų82154.7 Ų154.757%0.57377%0.772SS**THydrogen-bonded Turntrans-71.5-24.5-175.7660000114.7D134D134-S136 VanDerWaalsContact CG-OG 3.28Å; D134-S136 WeakPolarHBondContact OD1-CB 3.38Å; D134-S136 PolarHBondContact OD1-N 3.29Å; D134-S136 PolarHBondContact OD1-OG 3.07Å; D134-S136 PolarHBondContact OD2-OG 3.07Å
137L53.6Low45.2Very low153 Ų153151.8 Ų151.880%0.80177%0.768SS**THydrogen-bonded Turntrans-99.614-169.7-143.577.6000115.5H135H135-L137 PolarHBondContact O-N 3.1Å
138G46.2Very low45.7Very low67 Ų67150.7 Ų150.769%0.69176%0.761SS**SBendtrans-99.2-13.6-178.400000116.1Y140G138-Y140 PolarHBondContact O-N 3.39Å
139Q44.2Very low46Very low180 Ų180153.2 Ų153.284%0.84176%0.761SS**  trans-10035.6-160.6-152.691.96.800114.4
140Y41Very low46.6Very low211 Ų211156.7 Ų156.783%0.82776%0.758SS**  trans-94138.9175.7-89.5-84000112.5G138G138-Y140 PolarHBondContact O-N 3.39Å
141Q47.2Very low46.9Very low164 Ų164154.2 Ų154.277%0.76676%0.758SS**  trans-69.5141.7-165.2-57.9176.5-86.200113.8
142Y39.6Very low47.2Very low226 Ų226146.8 Ų146.889%0.88675%0.746SS**  trans-130.719.5153.2-128.8-86000113.4R144Y142-R144 PolarHBondContact O-N 3.5Å
143D49.3Very low47.4Very low150 Ų150146.5 Ų146.580%0.80274%0.743SS**  trans-71.765.9173.7-63.9-76.6000112.1
144R49.4Very low47.7Very low231 Ų231141.8 Ų141.887%0.87274%0.743SS**  trans-148.337.7179.5-140.9-178-164.9-179.56.2117.9Y142Y142-R144 PolarHBondContact O-N 3.5Å
145Y42.4Very low48.3Very low247 Ų247146.9 Ų146.997%0.96975%0.754SS**SBendtrans-171.7153.9134.2-124.4-98000111.1
146G44.9Very low48.5Very low58 Ų58150.6 Ų150.660%0.59876%0.761SS**  trans102.662.4168.200000116.6V148G146-V148 PolarHBondContact O-N 3.26Å
147T51.5Low49Very low137 Ų137155 Ų15584%0.8477%0.77SS**  trans-75.4100164.1-1740000109.9
148V48Very low49.6Very low99 Ų99154.9 Ų154.960%0.677%0.77SS**  trans-139.672.3174.2-75.70000111.2G146 F150G146-V148 PolarHBondContact O-N 3.26Å; V148-F150 HydrophobicContact CG2-CE2 4.23Å; V148-F150 VanDerWaalsContact O-CD2 3.24Å; V148-F150 WeakPolarHBondContact O-CD2 3.44Å; V148-F150 PolarHBondContact O-N 3.2Å
149D49.1Very low50.9Low148 Ų148154.1 Ų154.179%0.79176%0.757SS**  trans41.444.1144.9-55-18.2000119.1N151D149-N151 PolarHBondContact O-N 2.98Å
150F48Very low52.6Low173 Ų173149.3 Ų149.376%0.75974%0.74SS**  trans-73.351.8170.8-80.7-75.1000113.3V148 G152V148-F150 HydrophobicContact CG2-CE2 4.23Å; V148-F150 VanDerWaalsContact O-CD2 3.24Å; V148-F150 WeakPolarHBondContact O-CD2 3.44Å; V148-F150 PolarHBondContact O-N 3.2Å; F150-G152 PolarHBondContact O-N 2.83Å
151N46Very low54.6Low145 Ų145149.3 Ų149.378%0.77574%0.739SS**  trans-69.683.9177.4-176.816.1000111.9D149 T153D149-N151 PolarHBondContact O-N 2.98Å; N151-T153 PolarHBondContact O-N 3.37Å
152G48Very low56.4Low56 Ų56148.7 Ų148.758%0.57774%0.736SS**SBendtrans70-1016100000117.9F150 A154F150-G152 PolarHBondContact O-N 2.83Å; G152-A154 VanDerWaalsContact C-N 3.27Å; G152-A154 PolarHBondContact O-N 3.38Å
153T52.9Low58.8Low89 Ų89139.5 Ų139.555%0.54670%0.703SS.*THydrogen-bonded Turntrans-67.5-20.6-173.751.20000114.8N151 R155N151-T153 PolarHBondContact O-N 3.37Å; T153-R155 VanDerWaalsContact C-N 3.32Å; T153-R155 PolarHBondContact O-N 3.5Å
154A52Low60.8Low91 Ų91133.2 Ų133.275%0.75267%0.671SS**THydrogen-bonded Turntrans-75.9-8.6-176.500000115.1G152 R156G152-A154 VanDerWaalsContact C-N 3.27Å; G152-A154 PolarHBondContact O-N 3.38Å; A154-R156 PolarHBondContact O-N 3.32Å
155R53.6Low63.1Low220 Ų220125 Ų12583%0.8365%0.649SS**SBendtrans-66.6127.7166.9-65.8-164.7-166.3-131.96.5108.6T153 K157T153-R155 VanDerWaalsContact C-N 3.32Å; T153-R155 PolarHBondContact O-N 3.5Å; R155-K157 PolarHBondContact O-N 2.98Å
156R56.8Low65.6Low236 Ų236115.6 Ų115.689%0.89162%0.617SS**  trans-52104.3175.8-62.6-179.7-169.3158.44.1109.7A154 N158A154-R156 PolarHBondContact O-N 3.32Å; R156-N158 PolarHBondContact O-N 3.22Å; R156-N158 PolarHBondContact O-OD1 2.97Å
157K64.8Low68.1Low173 Ų173112.9 Ų112.975%0.75259%0.588SS**  trans-66104.9177.5-65.4-177.4-178.2179.50108.5R155 A159R155-K157 PolarHBondContact O-N 2.98Å; K157-A159 PolarHBondContact O-N 2.95Å
158N67.3Low70.2Confident152 Ų152111.3 Ų111.381%0.81357%0.57SS**PPolyproline II helixtrans-55.5129.9173.5-55.867000108.5R156 T160R156-N158 PolarHBondContact O-N 3.22Å; R156-N158 PolarHBondContact O-OD1 2.97Å; N158-T160 PolarHBondContact O-N 3.14Å
159A72.6Confident72.5Confident50 Ų50110.8 Ų110.841%0.41357%0.567SS.*PPolyproline II helixtrans-55.1132173.600000109.4K157 T164 M194K157-A159 PolarHBondContact O-N 2.95Å; A159-T164 HydrophobicContact CB-CG2 3.82Å; A159-M194 HydrophobicContact CB-SD 4.28Å
160T80.3Confident74.8Confident79 Ų79104.4 Ų104.449%0.48553%0.532SS..PPolyproline II helixtrans-64.2157.5-173.767.50000110.7N158 E162 T163 T164N158-T160 PolarHBondContact O-N 3.14Å; T160-E162 PolarHBondContact O-N 3.29Å; T160-E162 VanDerWaalsContact O-N 3.14Å; T160-T163 PolarHBondContact N-OG1 3.22Å; T160-T163 PolarHBondContact O-N 3.09Å; T160-T163 PolarHBondContact O-OG1 3.28Å; T160-T163 PolarHBondContact OG1-N 3.33Å; T160-T163 PolarHBondContact OG1-OG1 2.92Å; T160-T164 PolarHBondContact O-N 2.95Å; T160-T164 VanDerWaalsContact O-N 3.12Å
161R83.2Confident77.1Confident212 Ų21296.6 Ų96.680%0.850%0.498SS*.THydrogen-bonded Turntrans-53.2-38.7179.1-176.1175.8175-85.33.2111.3T164 S165R161-T164 PolarHBondContact O-OG1 2.91Å; R161-S165 PolarHBondContact O-N 2.83Å
162E84.3Confident79.4Confident151 Ų15198 Ų9871%0.70649%0.494SS*.THydrogen-bonded Turntrans-68.1-49.4178.9-68.1165.8-166.100113.4T160 T164 S165T160-E162 PolarHBondContact O-N 3.29Å; T160-E162 VanDerWaalsContact O-N 3.14Å; E162-T164 VanDerWaalsContact C-N 3.26Å; E162-T164 PolarHBondContact O-N 3.27Å; E162-S165 WeakPolarHBondContact O-CA 3.38Å; E162-S165 WeakPolarHBondContact O-CB 3.41Å; E162-S165 PolarHBondContact O-N 3.2Å
163T89.8Confident81.7Confident32 Ų32101.9 Ų101.920%0.19650%0.497CS..Hα-helixtrans-65.1-33.1179.3610000111.7T160 S165 T192T160-T163 PolarHBondContact N-OG1 3.22Å; T160-T163 PolarHBondContact O-N 3.09Å; T160-T163 PolarHBondContact O-OG1 3.28Å; T160-T163 PolarHBondContact OG1-N 3.33Å; T160-T163 PolarHBondContact OG1-OG1 2.92Å; T163-S165 PolarHBondContact O-N 3.31Å; T163-T192 WeakPolarHBondContact CG2-O 3.36Å; T163-T192 VanDerWaalsContact O-CG2 3.25Å; T163-T192 WeakPolarHBondContact O-CG2 3.37Å
164T92.8Very high83.7Confident19 Ų19100.4 Ų100.412%0.11748%0.484CS..Hα-helixtrans-73.1-11.4170.172.30000114.1A159 T160 R161 E162 K168A159-T164 HydrophobicContact CB-CG2 3.82Å; T160-T164 PolarHBondContact O-N 2.95Å; T160-T164 VanDerWaalsContact O-N 3.12Å; R161-T164 PolarHBondContact O-OG1 2.91Å; E162-T164 VanDerWaalsContact C-N 3.26Å; E162-T164 PolarHBondContact O-N 3.27Å; T164-K168 WeakPolarHBondContact O-CD 3.08Å; T164-K168 WeakPolarHBondContact O-CG 3.46Å; T164-K168 PolarHBondContact O-N 3.37Å; T164-K168 PolarHBondContact OG1-NZ 3.28Å
165S96Very high85.6Confident59 Ų5999.6 Ų99.641%0.41346%0.461SS..Hα-helixtrans-72.6-51.2-179.8-154.70000110.6R161 E162 T163 L167 K168 T169R161-S165 PolarHBondContact O-N 2.83Å; E162-S165 WeakPolarHBondContact O-CA 3.38Å; E162-S165 WeakPolarHBondContact O-CB 3.41Å; E162-S165 PolarHBondContact O-N 3.2Å; T163-S165 PolarHBondContact O-N 3.31Å; S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.12Å; S165-K168 WeakPolarHBondContact O-CA 3.39Å; S165-K168 WeakPolarHBondContact O-CB 3.41Å; S165-K168 PolarHBondContact O-N 3.27Å; S165-T169 PolarHBondContact O-N 3.25Å; S165-T169 PolarHBondContact O-OG1 2.88Å
166T96.3Very high87.3Confident49 Ų4998.3 Ų98.330%0.30146%0.461SS..Hα-helixtrans-54.8-43.2175.8-45.30000112K168 T169 W170 L188 I191T166-K168 VanDerWaalsContact C-N 3.3Å; T166-K168 PolarHBondContact O-N 3.45Å; T166-T169 PolarHBondContact O-N 3.34Å; T166-W170 PolarHBondContact O-N 3.05Å; T166-L188 HydrophobicContact CG2-CD2 3.91Å; T166-I191 HydrophobicContact CG2-CG2 3.88Å
167L96.9Very high89Confident0 Ų091.8 Ų91.80%044%0.444CS..Hα-helixtrans-64.1-32.7176.9-56.8178.7000112.8S165 L171 L188 T192 M194 V199 W202 F203S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.12Å; L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 PolarHBondContact O-N 2.92Å; L167-L171 VanDerWaalsContact O-N 3.17Å; L167-L188 HydrophobicContact CD2-CB 4.13Å; L167-L188 HydrophobicContact CD2-CD1 4.48Å; L167-L188 HydrophobicContact CD2-CD2 4.39Å; L167-T192 HydrophobicContact CD2-CG2 3.9Å; L167-T192 HydrophobicContact CG-CG2 3.94Å; L167-M194 HydrophobicContact CD1-CE 4.25Å; L167-M194 HydrophobicContact CD1-SD 4.02Å; L167-V199 HydrophobicContact CD2-CG1 4.23Å; L167-W202 HydrophobicContact CB-CD2 4.07Å; L167-W202 HydrophobicContact CB-CE3 3.83Å; L167-W202 HydrophobicContact CB-CH2 3.6Å; L167-W202 HydrophobicContact CB-CZ2 3.81Å; L167-W202 HydrophobicContact CB-CZ3 3.6Å; L167-W202 HydrophobicContact CD1-CB 4.34Å; L167-W202 HydrophobicContact CD1-CD2 3.65Å; L167-W202 HydrophobicContact CD1-CE3 4.07Å; L167-W202 HydrophobicContact CD1-CG 3.75Å; L167-W202 HydrophobicContact CD1-CZ2 4.49Å; L167-W202 HydrophobicContact CG-CD2 4.47Å; L167-W202 HydrophobicContact CG-CE3 4.47Å; L167-F203 HydrophobicContact CD2-CE2 3.94Å; L167-F203 HydrophobicContact CD2-CZ 4.32Å
168K95.5Very high90.5Very high105 Ų10583.5 Ų83.546%0.45741%0.408SS..Hα-helixtrans-75.3-37.9174.9-71.2159.3-171.2154.50112.2T164 S165 T166 L171 Y172 W202T164-K168 WeakPolarHBondContact O-CD 3.08Å; T164-K168 WeakPolarHBondContact O-CG 3.46Å; T164-K168 PolarHBondContact O-N 3.37Å; T164-K168 PolarHBondContact OG1-NZ 3.28Å; S165-K168 WeakPolarHBondContact O-CA 3.39Å; S165-K168 WeakPolarHBondContact O-CB 3.41Å; S165-K168 PolarHBondContact O-N 3.27Å; T166-K168 VanDerWaalsContact C-N 3.3Å; T166-K168 PolarHBondContact O-N 3.45Å; K168-L171 CarbonylContact O-C 3.18Å; K168-L171 PolarHBondContact O-N 3.39Å; K168-Y172 WeakPolarHBondContact O-CB 3.23Å; K168-Y172 PolarHBondContact O-N 2.78Å; K168-W202 HydrophobicContact CG-CH2 4.12Å; K168-W202 HydrophobicContact CG-CZ2 4.14Å
169T96.9Very high91.9Very high88 Ų8883 Ų8354%0.5440%0.396SS..Hα-helixtrans-61.8-54.2176.3-55.40000110.2S165 T166 L171 Y172 E173S165-T169 PolarHBondContact O-N 3.25Å; S165-T169 PolarHBondContact O-OG1 2.88Å; T166-T169 PolarHBondContact O-N 3.34Å; T169-L171 VanDerWaalsContact C-N 3.27Å; T169-L171 PolarHBondContact O-N 3.14Å; T169-Y172 WeakPolarHBondContact O-CA 3.4Å; T169-Y172 WeakPolarHBondContact O-CB 3.33Å; T169-Y172 PolarHBondContact O-N 2.92Å; T169-E173 PolarHBondContact O-N 3.31Å
170W97.3Very high93.1Very high13 Ų1381.3 Ų81.35%0.04938%0.381CS..Hα-helixtrans-59.1-38.9176.7-173.594.6000111.7T166 Y172 E173 H174 P178 P180 E184 L188 F203T166-W170 PolarHBondContact O-N 3.05Å; W170-Y172 VanDerWaalsContact C-N 3.27Å; W170-Y172 PolarHBondContact O-N 2.9Å; W170-E173 PolarHBondContact O-N 3.34Å; W170-H174 AromaticContact CD1-CE1 3.77Å; W170-H174 AromaticContact CD1-ND1 3.58Å; W170-H174 HydrophobicContact CD2-CB 4.22Å; W170-H174 AromaticContact CD2-CG 3.97Å; W170-H174 AromaticContact CD2-ND1 3.6Å; W170-H174 AromaticContact CE2-CE1 3.72Å; W170-H174 AromaticContact CE2-CG 3.49Å; W170-H174 VanDerWaalsContact CE2-CG 3.49Å; W170-H174 AromaticContact CE2-ND1 3.27Å; W170-H174 VanDerWaalsContact CE2-ND1 3.27Å; W170-H174 HydrophobicContact CE3-CB 4.03Å; W170-H174 AromaticContact CG-ND1 3.79Å; W170-H174 HydrophobicContact CH2-CB 3.55Å; W170-H174 AromaticContact CH2-CG 3.73Å; W170-H174 HydrophobicContact CZ2-CB 3.76Å; W170-H174 AromaticContact CZ2-CD2 3.66Å; W170-H174 AromaticContact CZ2-CG 3.36Å; W170-H174 AromaticContact CZ2-ND1 3.67Å; W170-H174 HydrophobicContact CZ3-CB 3.72Å; W170-H174 AromaticContact NE1-CE1 3.34Å; W170-H174 PolarHBondContact NE1-CE1 3.07Å; W170-H174 VanDerWaalsContact NE1-CE1 3.34Å; W170-H174 AromaticContact NE1-CG 3.94Å; W170-H174 AromaticContact NE1-ND1 3.29Å; W170-H174 PolarHBondContact NE1-ND1 3.13Å; W170-H174 AromaticContact NE1-NE2 3.99Å; W170-H174 VanDerWaalsContact O-CB 3.31Å; W170-H174 WeakPolarHBondContact O-CB 3.47Å; W170-H174 PolarHBondContact O-N 3.29Å; W170-H174 PolarHBondContact O-ND1 3.28Å; W170-P178 HydrophobicContact CZ3-CB 4.12Å; W170-P180 VanDerWaalsContact CH2-CA 3.48Å; W170-P180 HydrophobicContact CH2-CB 3.62Å; W170-P180 HydrophobicContact CH2-CG 4.11Å; W170-P180 HydrophobicContact CZ2-CB 3.61Å; W170-P180 HydrophobicContact CZ3-CB 4.13Å; W170-P180 HydrophobicContact CZ3-CG 4.25Å; W170-E184 VanDerWaalsContact CE2-OE1 3.28Å; W170-E184 VanDerWaalsContact CZ2-OE1 3.28Å; W170-E184 WeakPolarHBondContact CZ2-OE1 3.25Å; W170-E184 PolarHBondContact NE1-OE1 2.97Å; W170-L188 HydrophobicContact CB-CD1 4.34Å; W170-L188 HydrophobicContact CB-CD2 4.19Å; W170-L188 HydrophobicContact CD2-CD1 4.06Å; W170-L188 HydrophobicContact CG-CD1 3.91Å; W170-L188 HydrophobicContact CG-CD2 4.39Å; W170-F203 HydrophobicContact CD2-CE1 4.48Å; W170-F203 HydrophobicContact CD2-CZ 4.19Å; W170-F203 HydrophobicContact CE3-CD1 4.38Å; W170-F203 AromaticContact CE3-CE1 3.34Å; W170-F203 HydrophobicContact CE3-CE1 3.34Å; W170-F203 AromaticContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CE3-CZ 3.42Å; W170-F203 VanDerWaalsContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CZ3-CD1 4.18Å; W170-F203 AromaticContact CZ3-CE1 3.54Å; W170-F203 HydrophobicContact CZ3-CE1 3.54Å; W170-F203 AromaticContact CZ3-CZ 3.94Å; W170-F203 HydrophobicContact CZ3-CZ 3.94Å
171L96.2Very high93.9Very high9 Ų981.4 Ų81.45%0.04738%0.382CS..Hα-helixtrans-68.1-20.2174.4-179.462.7000114.1L167 K168 T169 R175 P178 W202 F203 A206 L210L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 PolarHBondContact O-N 2.92Å; L167-L171 VanDerWaalsContact O-N 3.17Å; K168-L171 CarbonylContact O-C 3.18Å; K168-L171 PolarHBondContact O-N 3.39Å; T169-L171 VanDerWaalsContact C-N 3.27Å; T169-L171 PolarHBondContact O-N 3.14Å; L171-R175 WeakPolarHBondContact O-CD 3.3Å; L171-R175 WeakPolarHBondContact O-CG 3.14Å; L171-R175 PolarHBondContact O-NE 3.24Å; L171-P178 HydrophobicContact CD1-CB 3.55Å; L171-P178 HydrophobicContact CD1-CG 4.31Å; L171-W202 HydrophobicContact CB-CZ3 4.5Å; L171-W202 HydrophobicContact CD2-CH2 3.83Å; L171-W202 HydrophobicContact CD2-CZ3 3.89Å; L171-F203 HydrophobicContact CB-CE1 4.16Å; L171-F203 HydrophobicContact CD1-CE1 4.37Å; L171-A206 HydrophobicContact CD2-CB 3.76Å; L171-L210 HydrophobicContact CD1-CD2 4.15Å; L171-L210 HydrophobicContact CD2-CD1 4.31Å; L171-L210 HydrophobicContact CG-CD2 4.49Å
172Y94.4Very high94.6Very high175 Ų17580.2 Ų80.269%0.68638%0.382SS*.Hα-helixtrans-86.8-37.4175.2-178.9-93.8000111.8K168 T169 W170 R175K168-Y172 WeakPolarHBondContact O-CB 3.23Å; K168-Y172 PolarHBondContact O-N 2.78Å; T169-Y172 WeakPolarHBondContact O-CA 3.4Å; T169-Y172 WeakPolarHBondContact O-CB 3.33Å; T169-Y172 PolarHBondContact O-N 2.92Å; W170-Y172 VanDerWaalsContact C-N 3.27Å; W170-Y172 PolarHBondContact O-N 2.9Å; Y172-R175 WeakPolarHBondContact O-CG 3.48Å
173E96.4Very high95.3Very high138 Ų13875.2 Ų75.265%0.64537%0.371SS*.Hα-helixtrans-64.2-53170.7-173.8174.7-147.200110.8T169 W170 R175T169-E173 PolarHBondContact O-N 3.31Å; W170-E173 PolarHBondContact O-N 3.34Å; E173-R175 PolarHBondContact O-N 3.18Å
174H94.4Very high95.6Very high57 Ų5775.6 Ų75.626%0.26437%0.371SS..THydrogen-bonded Turntrans-86.433.9-176.8-64.179.3000113.3W170 K176 N177 P178 E184W170-H174 AromaticContact CD1-CE1 3.77Å; W170-H174 AromaticContact CD1-ND1 3.58Å; W170-H174 HydrophobicContact CD2-CB 4.22Å; W170-H174 AromaticContact CD2-CG 3.97Å; W170-H174 AromaticContact CD2-ND1 3.6Å; W170-H174 AromaticContact CE2-CE1 3.72Å; W170-H174 AromaticContact CE2-CG 3.49Å; W170-H174 VanDerWaalsContact CE2-CG 3.49Å; W170-H174 AromaticContact CE2-ND1 3.27Å; W170-H174 VanDerWaalsContact CE2-ND1 3.27Å; W170-H174 HydrophobicContact CE3-CB 4.03Å; W170-H174 AromaticContact CG-ND1 3.79Å; W170-H174 HydrophobicContact CH2-CB 3.55Å; W170-H174 AromaticContact CH2-CG 3.73Å; W170-H174 HydrophobicContact CZ2-CB 3.76Å; W170-H174 AromaticContact CZ2-CD2 3.66Å; W170-H174 AromaticContact CZ2-CG 3.36Å; W170-H174 AromaticContact CZ2-ND1 3.67Å; W170-H174 HydrophobicContact CZ3-CB 3.72Å; W170-H174 AromaticContact NE1-CE1 3.34Å; W170-H174 PolarHBondContact NE1-CE1 3.07Å; W170-H174 VanDerWaalsContact NE1-CE1 3.34Å; W170-H174 AromaticContact NE1-CG 3.94Å; W170-H174 AromaticContact NE1-ND1 3.29Å; W170-H174 PolarHBondContact NE1-ND1 3.13Å; W170-H174 AromaticContact NE1-NE2 3.99Å; W170-H174 VanDerWaalsContact O-CB 3.31Å; W170-H174 WeakPolarHBondContact O-CB 3.47Å; W170-H174 PolarHBondContact O-N 3.29Å; W170-H174 PolarHBondContact O-ND1 3.28Å; H174-K176 PolarHBondContact O-N 2.74Å; H174-N177 CarbonylContact O-C 3.59Å; H174-N177 PolarHBondContact O-N 2.61Å; H174-P178 WeakPolarHBondContact O-CA 3.36Å; H174-P178 WeakPolarHBondContact O-CB 3.25Å; H174-E184 IonicContact CE1-OE1 3.9Å; H174-E184 IonicContact NE2-OE1 3.7Å
175R91.9Very high95.9Very high74 Ų7477.1 Ų77.128%0.27938%0.376SS..THydrogen-bonded Turntrans-57.2-31.9-179.7-82.2-77.1159.7141.310.9113.7L171 Y172 E173 M216 W218L171-R175 WeakPolarHBondContact O-CD 3.3Å; L171-R175 WeakPolarHBondContact O-CG 3.14Å; L171-R175 PolarHBondContact O-NE 3.24Å; Y172-R175 WeakPolarHBondContact O-CG 3.48Å; E173-R175 PolarHBondContact O-N 3.18Å; R175-M216 HydrophobicContact CB-CE 4.47Å; R175-M216 HydrophobicContact CB-SD 4.09Å; R175-M216 WeakPolarHBondContact O-CE 3.41Å; R175-M216 VanDerWaalsContact O-SD 3.32Å; R175-W218 WeakPolarHBondContact O-CH2 3.06Å; R175-W218 WeakPolarHBondContact O-CZ2 3.2Å
176K89.8Confident96Very high193 Ų19378.1 Ų78.184%0.83938%0.376SS*.THydrogen-bonded Turntrans-78-19.8178.4-65.1-176.9-177.9177.40114H174 W218H174-K176 PolarHBondContact O-N 2.74Å; K176-W218 VanDerWaalsContact O-CZ3 3.25Å; K176-W218 WeakPolarHBondContact O-CZ3 3.24Å
177N92.1Very high96.1Very high99 Ų9980.3 Ų80.353%0.52938%0.383SS..  trans-163.993.2177.6-17413.6000111.3H174 Y179H174-N177 CarbonylContact O-C 3.59Å; H174-N177 PolarHBondContact O-N 2.61Å; N177-Y179 VanDerWaalsContact C-N 3.25Å; N177-Y179 PolarHBondContact O-N 2.68Å; N177-Y179 VanDerWaalsContact OD1-CD2 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CD2 3.28Å
178P95.4Very high96.1Very high0 Ų080.4 Ų80.40%038%0.384CS..  trans-102.442.7-164.615.111.7000108.6W170 L171 H174 P180 R207 W218W170-P178 HydrophobicContact CZ3-CB 4.12Å; L171-P178 HydrophobicContact CD1-CB 3.55Å; L171-P178 HydrophobicContact CD1-CG 4.31Å; H174-P178 WeakPolarHBondContact O-CA 3.36Å; H174-P178 WeakPolarHBondContact O-CB 3.25Å; P178-P180 VanDerWaalsContact O-CD 3.23Å; P178-P180 WeakPolarHBondContact O-CD 3.3Å; P178-R207 HydrophobicContact CB-CG 4.3Å; P178-R207 HydrophobicContact CG-CG 4.09Å; P178-R207 WeakPolarHBondContact O-CD 3.5Å; P178-R207 PolarHBondContact O-NH1 2.82Å; P178-W218 HydrophobicContact CG-CH2 3.27Å; P178-W218 HydrophobicContact CG-CZ2 3.19Å; P178-W218 HydrophobicContact CG-CZ3 4.3Å
179Y97.1Very high96.2Very high141 Ų14176 Ų7655%0.55337%0.368SS*.  trans-106.683.1177.5-73.5-107000106.2N177 T181 R207N177-Y179 VanDerWaalsContact C-N 3.25Å; N177-Y179 PolarHBondContact O-N 2.68Å; N177-Y179 VanDerWaalsContact OD1-CD2 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CD2 3.28Å; Y179-T181 PolarHBondContact O-N 3.28Å; Y179-R207 VanDerWaalsContact CE1-NH2 3.29Å; Y179-R207 VanDerWaalsContact CE2-CD 3.46Å; Y179-R207 VanDerWaalsContact CZ-NE 3.29Å
180P97.1Very high96.2Very high14 Ų1477.6 Ų77.69%0.09137%0.371CS..  trans-59.9134.5-175.623.6-33.3000109.9W170 P178 E184 L188 F203W170-P180 VanDerWaalsContact CH2-CA 3.48Å; W170-P180 HydrophobicContact CH2-CB 3.62Å; W170-P180 HydrophobicContact CH2-CG 4.11Å; W170-P180 HydrophobicContact CZ2-CB 3.61Å; W170-P180 HydrophobicContact CZ3-CB 4.13Å; W170-P180 HydrophobicContact CZ3-CG 4.25Å; P178-P180 VanDerWaalsContact O-CD 3.23Å; P178-P180 WeakPolarHBondContact O-CD 3.3Å; P180-E184 HydrophobicContact CB-CB 3.97Å; P180-L188 HydrophobicContact CB-CD1 4.48Å; P180-F203 HydrophobicContact CG-CD2 3.86Å; P180-F203 HydrophobicContact CG-CE2 4.03Å; P180-F203 HydrophobicContact CG-CG 4.15Å; P180-F203 HydrophobicContact CG-CZ 4.48Å
181T98.1Very high96.2Very high82 Ų8281.4 Ų81.450%0.50339%0.392SS..  trans-59.3169.717760.70000111.7Y179 G183 E184 K185Y179-T181 PolarHBondContact O-N 3.28Å; T181-G183 VanDerWaalsContact C-N 3.26Å; T181-G183 PolarHBondContact O-N 3.37Å; T181-E184 VanDerWaalsContact CB-OE2 3.3Å; T181-E184 WeakPolarHBondContact CB-OE2 3.38Å; T181-E184 VanDerWaalsContact CG2-OE2 3.28Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.32Å; T181-E184 PolarHBondContact N-OE2 2.95Å; T181-E184 PolarHBondContact O-N 2.96Å; T181-E184 VanDerWaalsContact OG1-CG 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.28Å; T181-E184 PolarHBondContact OG1-N 3.31Å; T181-E184 PolarHBondContact OG1-OE2 3.45Å; T181-K185 WeakPolarHBondContact O-CB 3.42Å; T181-K185 PolarHBondContact O-N 2.86Å
182K97.8Very high96.2Very high186 Ų18681 Ų8181%0.80939%0.39SS*.Hα-helixtrans-53.4-45176.4-167.9177.1-179.3-178.60111.2I186K182-I186 WeakPolarHBondContact O-CD1 3.04Å; K182-I186 VanDerWaalsContact O-CG1 3.32Å; K182-I186 WeakPolarHBondContact O-CG1 3.27Å; K182-I186 PolarHBondContact O-N 3.34Å
183G98.2Very high96.3Very high46 Ų4681.9 Ų81.947%0.47440%0.397SS..Hα-helixtrans-67.2-50.5177.800000113.5T181 K185 I186 M187T181-G183 VanDerWaalsContact C-N 3.26Å; T181-G183 PolarHBondContact O-N 3.37Å; G183-K185 VanDerWaalsContact C-N 3.3Å; G183-K185 PolarHBondContact O-N 3.38Å; G183-I186 WeakPolarHBondContact O-CB 3.2Å; G183-I186 PolarHBondContact O-N 3.38Å; G183-I186 VanDerWaalsContact O-N 3.09Å; G183-M187 PolarHBondContact O-N 2.98Å
184E98Very high96.2Very high40 Ų4076.5 Ų76.519%0.18737%0.372CS..Hα-helixtrans-62.1-37.6180-67.7167109.300112.5W170 H174 P180 T181 I186 M187 L188W170-E184 VanDerWaalsContact CE2-OE1 3.28Å; W170-E184 VanDerWaalsContact CZ2-OE1 3.28Å; W170-E184 WeakPolarHBondContact CZ2-OE1 3.25Å; W170-E184 PolarHBondContact NE1-OE1 2.97Å; H174-E184 IonicContact CE1-OE1 3.9Å; H174-E184 IonicContact NE2-OE1 3.7Å; P180-E184 HydrophobicContact CB-CB 3.97Å; T181-E184 VanDerWaalsContact CB-OE2 3.3Å; T181-E184 WeakPolarHBondContact CB-OE2 3.38Å; T181-E184 VanDerWaalsContact CG2-OE2 3.28Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.32Å; T181-E184 PolarHBondContact N-OE2 2.95Å; T181-E184 PolarHBondContact O-N 2.96Å; T181-E184 VanDerWaalsContact OG1-CG 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.28Å; T181-E184 PolarHBondContact OG1-N 3.31Å; T181-E184 PolarHBondContact OG1-OE2 3.45Å; E184-I186 VanDerWaalsContact C-N 3.26Å; E184-I186 PolarHBondContact O-N 3.22Å; E184-M187 PolarHBondContact O-N 2.87Å; E184-L188 WeakPolarHBondContact O-CB 3.5Å; E184-L188 VanDerWaalsContact O-CG 3.23Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 3.04Å
185K97.9Very high96.4Very high52 Ų5277.6 Ų77.623%0.22638%0.383CS..Hα-helixtrans-64.5-33.4177.2-159.8-170.7-63.4-177.30111.7T181 G183 A189 L196 V199 S200T181-K185 WeakPolarHBondContact O-CB 3.42Å; T181-K185 PolarHBondContact O-N 2.86Å; G183-K185 VanDerWaalsContact C-N 3.3Å; G183-K185 PolarHBondContact O-N 3.38Å; K185-A189 VanDerWaalsContact O-CB 3.28Å; K185-A189 WeakPolarHBondContact O-CB 3.44Å; K185-A189 PolarHBondContact O-N 3.43Å; K185-A189 VanDerWaalsContact O-N 3.07Å; K185-L196 HydrophobicContact CB-CD1 3.99Å; K185-L196 HydrophobicContact CD-CD1 3.79Å; K185-L196 HydrophobicContact CD-CG 3.91Å; K185-L196 HydrophobicContact CG-CD1 3.68Å; K185-L196 HydrophobicContact CG-CG 4.3Å; K185-V199 HydrophobicContact CG-CB 4.39Å; K185-V199 HydrophobicContact CG-CG1 3.91Å; K185-S200 PolarHBondContact NZ-OG 3.23Å
186I97.9Very high96.6Very high80 Ų8078.1 Ų78.141%0.4139%0.391SS..Hα-helixtrans-70.8-48.7172.9-66.6164.2000110.3K182 G183 E184 L188 A189 I190 L196K182-I186 WeakPolarHBondContact O-CD1 3.04Å; K182-I186 VanDerWaalsContact O-CG1 3.32Å; K182-I186 WeakPolarHBondContact O-CG1 3.27Å; K182-I186 PolarHBondContact O-N 3.34Å; G183-I186 WeakPolarHBondContact O-CB 3.2Å; G183-I186 PolarHBondContact O-N 3.38Å; G183-I186 VanDerWaalsContact O-N 3.09Å; E184-I186 VanDerWaalsContact C-N 3.26Å; E184-I186 PolarHBondContact O-N 3.22Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 2.85Å; I186-A189 WeakPolarHBondContact O-CB 3.17Å; I186-A189 PolarHBondContact O-N 3.36Å; I186-A189 VanDerWaalsContact O-N 3.13Å; I186-I190 HydrophobicContact CG2-CD1 3.86Å; I186-I190 WeakPolarHBondContact O-CG1 3.45Å; I186-I190 PolarHBondContact O-N 2.97Å; I186-L196 HydrophobicContact CG1-CD1 3.91Å
187M98.2Very high97Very high94 Ų9473.8 Ų73.846%0.46338%0.381SS..Hα-helixtrans-55.9-47.5176.8-179.1-179.570.100111.8G183 E184 A189 I190 I191G183-M187 PolarHBondContact O-N 2.98Å; E184-M187 PolarHBondContact O-N 2.87Å; M187-A189 PolarHBondContact O-N 3.39Å; M187-I190 PolarHBondContact O-N 3.25Å; M187-I191 HydrophobicContact CG-CD1 3.74Å; M187-I191 WeakPolarHBondContact O-CG1 3.49Å; M187-I191 PolarHBondContact O-N 2.88Å
188L97.9Very high97.2Very high3 Ų373.7 Ų73.72%0.01638%0.377CS..Hα-helixtrans-65.6-37.3177.4-68.3170.9000111.8T166 L167 W170 P180 E184 I186 T192 V199 F203T166-L188 HydrophobicContact CG2-CD2 3.91Å; L167-L188 HydrophobicContact CD2-CB 4.13Å; L167-L188 HydrophobicContact CD2-CD1 4.48Å; L167-L188 HydrophobicContact CD2-CD2 4.39Å; W170-L188 HydrophobicContact CB-CD1 4.34Å; W170-L188 HydrophobicContact CB-CD2 4.19Å; W170-L188 HydrophobicContact CD2-CD1 4.06Å; W170-L188 HydrophobicContact CG-CD1 3.91Å; W170-L188 HydrophobicContact CG-CD2 4.39Å; P180-L188 HydrophobicContact CB-CD1 4.48Å; E184-L188 WeakPolarHBondContact O-CB 3.5Å; E184-L188 VanDerWaalsContact O-CG 3.23Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 3.04Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 2.85Å; L188-T192 VanDerWaalsContact O-CB 3.3Å; L188-T192 WeakPolarHBondContact O-CB 3.28Å; L188-T192 VanDerWaalsContact O-CG2 3.28Å; L188-T192 WeakPolarHBondContact O-CG2 3.34Å; L188-T192 PolarHBondContact O-N 3.39Å; L188-T192 PolarHBondContact O-OG1 3.2Å; L188-V199 HydrophobicContact CB-CG1 4.22Å; L188-F203 HydrophobicContact CD1-CE2 3.77Å; L188-F203 HydrophobicContact CD1-CZ 3.9Å
189A97.4Very high97.3Very high13 Ų1373.7 Ų73.711%0.10738%0.377CS..Hα-helixtrans-61.2-45173.700000112K185 I186 M187 K193 M194 V199K185-A189 VanDerWaalsContact O-CB 3.28Å; K185-A189 WeakPolarHBondContact O-CB 3.44Å; K185-A189 PolarHBondContact O-N 3.43Å; K185-A189 VanDerWaalsContact O-N 3.07Å; I186-A189 WeakPolarHBondContact O-CB 3.17Å; I186-A189 PolarHBondContact O-N 3.36Å; I186-A189 VanDerWaalsContact O-N 3.13Å; M187-A189 PolarHBondContact O-N 3.39Å; A189-K193 WeakPolarHBondContact O-CA 3.31Å; A189-K193 PolarHBondContact O-N 3.05Å; A189-M194 WeakPolarHBondContact CA-O 3.14Å; A189-M194 VanDerWaalsContact CB-O 3.25Å; A189-M194 WeakPolarHBondContact CB-O 3.46Å; A189-M194 PolarHBondContact O-N 2.93Å; A189-M194 VanDerWaalsContact O-N 3.14Å; A189-V199 HydrophobicContact CB-CG2 4.07Å
190I97.4Very high97.3Very high121 Ų12169.2 Ų69.262%0.62137%0.367SS*.Hα-helixtrans-62-54.8176.9-66.2165.3000110.8I186 M187 T192 K193I186-I190 HydrophobicContact CG2-CD1 3.86Å; I186-I190 WeakPolarHBondContact O-CG1 3.45Å; I186-I190 PolarHBondContact O-N 2.97Å; M187-I190 PolarHBondContact O-N 3.25Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.17Å; I190-K193 PolarHBondContact O-N 3.18Å
191I96.7Very high97.3Very high92 Ų9272.6 Ų72.647%0.47239%0.387SS..Hα-helixtrans-61.7-41.9-176.5-64.6166000111.3T166 M187 K193T166-I191 HydrophobicContact CG2-CG2 3.88Å; M187-I191 HydrophobicContact CG-CD1 3.74Å; M187-I191 WeakPolarHBondContact O-CG1 3.49Å; M187-I191 PolarHBondContact O-N 2.88Å; I191-K193 VanDerWaalsContact C-N 3.33Å
192T96.6Very high97.3Very high2 Ų271.4 Ų71.41%0.01237%0.373CS..Hα-helixtrans-85.4-6-177.563.90000113.9T163 L167 L188 I190 M194T163-T192 WeakPolarHBondContact CG2-O 3.36Å; T163-T192 VanDerWaalsContact O-CG2 3.25Å; T163-T192 WeakPolarHBondContact O-CG2 3.37Å; L167-T192 HydrophobicContact CD2-CG2 3.9Å; L167-T192 HydrophobicContact CG-CG2 3.94Å; L188-T192 VanDerWaalsContact O-CB 3.3Å; L188-T192 WeakPolarHBondContact O-CB 3.28Å; L188-T192 VanDerWaalsContact O-CG2 3.28Å; L188-T192 WeakPolarHBondContact O-CG2 3.34Å; L188-T192 PolarHBondContact O-N 3.39Å; L188-T192 PolarHBondContact O-OG1 3.2Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.17Å; T192-M194 PolarHBondContact O-N 3.19Å; T192-M194 WeakPolarHBondContact OG1-CB 3.4Å
193K96.1Very high97.2Very high193 Ų19362.7 Ų62.784%0.83934%0.335SS*.THydrogen-bonded Turntrans5334.5-174.3-55.6178.8-177.5178.10112.3A189 I190 I191A189-K193 WeakPolarHBondContact O-CA 3.31Å; A189-K193 PolarHBondContact O-N 3.05Å; I190-K193 PolarHBondContact O-N 3.18Å; I191-K193 VanDerWaalsContact C-N 3.33Å
194M94.9Very high97.2Very high25 Ų2561.8 Ų61.812%0.12332%0.323CS..  trans-109.9149.1178.1-69.3174.857.500109.6A159 L167 A189 T192 Q198 V199A159-M194 HydrophobicContact CB-SD 4.28Å; L167-M194 HydrophobicContact CD1-CE 4.25Å; L167-M194 HydrophobicContact CD1-SD 4.02Å; A189-M194 WeakPolarHBondContact CA-O 3.14Å; A189-M194 VanDerWaalsContact CB-O 3.25Å; A189-M194 WeakPolarHBondContact CB-O 3.46Å; A189-M194 PolarHBondContact O-N 2.93Å; A189-M194 VanDerWaalsContact O-N 3.14Å; T192-M194 PolarHBondContact O-N 3.19Å; T192-M194 WeakPolarHBondContact OG1-CB 3.4Å; M194-Q198 HydrophobicContact CB-CB 4.2Å; M194-Q198 HydrophobicContact CE-CB 3.8Å; M194-V199 HydrophobicContact CB-CG2 3.93Å
195T97.4Very high97.1Very high79 Ų7963.2 Ų63.249%0.48533%0.332SS..  trans-68.4153.8177.473.80000111.3T197 Q198 V199T195-T197 PolarHBondContact O-N 3.19Å; T195-T197 VanDerWaalsContact O-N 3.12Å; T195-Q198 WeakPolarHBondContact O-CA 3.29Å; T195-Q198 WeakPolarHBondContact O-CB 3.2Å; T195-Q198 PolarHBondContact O-N 3.01Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.32Å; T195-Q198 PolarHBondContact OG1-N 3.48Å; T195-V199 PolarHBondContact O-N 3.35Å
196L97Very high97Very high85 Ų8561.1 Ų61.145%0.44533%0.325SS..Hα-helixtrans-51.7-38.8177.3-163.276.7000111.9K185 I186 V199 S200K185-L196 HydrophobicContact CB-CD1 3.99Å; K185-L196 HydrophobicContact CD-CD1 3.79Å; K185-L196 HydrophobicContact CD-CG 3.91Å; K185-L196 HydrophobicContact CG-CD1 3.68Å; K185-L196 HydrophobicContact CG-CG 4.3Å; I186-L196 HydrophobicContact CG1-CD1 3.91Å; L196-V199 PolarHBondContact O-N 3.36Å; L196-S200 VanDerWaalsContact O-CB 3.29Å; L196-S200 WeakPolarHBondContact O-CB 3.42Å; L196-S200 PolarHBondContact O-N 3.26Å
197T97.2Very high96.8Very high103 Ų10359.6 Ų59.663%0.63231%0.314SS*.Hα-helixtrans-65.2-41.8175.4-48.60000112.6T195 T201T195-T197 PolarHBondContact O-N 3.19Å; T195-T197 VanDerWaalsContact O-N 3.12Å; T197-T201 VanDerWaalsContact O-CB 3.27Å; T197-T201 WeakPolarHBondContact O-CB 3.25Å; T197-T201 PolarHBondContact O-N 2.91Å; T197-T201 PolarHBondContact O-OG1 3.36Å
198Q97.1Very high96.6Very high97 Ų9763.3 Ų63.345%0.45332%0.323SS..Hα-helixtrans-64.6-45.1175.2-72.2169-13.100111.3M194 T195 T201 W202M194-Q198 HydrophobicContact CB-CB 4.2Å; M194-Q198 HydrophobicContact CE-CB 3.8Å; T195-Q198 WeakPolarHBondContact O-CA 3.29Å; T195-Q198 WeakPolarHBondContact O-CB 3.2Å; T195-Q198 PolarHBondContact O-N 3.01Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.32Å; T195-Q198 PolarHBondContact OG1-N 3.48Å; Q198-T201 PolarHBondContact O-N 2.96Å; Q198-W202 WeakPolarHBondContact O-CB 3.45Å; Q198-W202 PolarHBondContact O-N 2.85Å
199V97.4Very high96.4Very high0 Ų070.9 Ų70.90%035%0.351CS..Hα-helixtrans-61.9-48176177.90000110.7L167 K185 L188 A189 M194 T195 L196 T201 W202 F203L167-V199 HydrophobicContact CD2-CG1 4.23Å; K185-V199 HydrophobicContact CG-CB 4.39Å; K185-V199 HydrophobicContact CG-CG1 3.91Å; L188-V199 HydrophobicContact CB-CG1 4.22Å; A189-V199 HydrophobicContact CB-CG2 4.07Å; M194-V199 HydrophobicContact CB-CG2 3.93Å; T195-V199 PolarHBondContact O-N 3.35Å; L196-V199 PolarHBondContact O-N 3.36Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.04Å; V199-W202 PolarHBondContact O-N 2.89Å; V199-F203 HydrophobicContact CG1-CD2 3.82Å; V199-F203 HydrophobicContact CG1-CE2 3.8Å; V199-F203 WeakPolarHBondContact O-CD2 3.05Å; V199-F203 PolarHBondContact O-N 2.72Å
200S97.4Very high95.9Very high47 Ų4770.8 Ų70.833%0.32935%0.349SS..Hα-helixtrans-57.8-43.4176.8-153.20000111.8K185 L196 A204K185-S200 PolarHBondContact NZ-OG 3.23Å; L196-S200 VanDerWaalsContact O-CB 3.29Å; L196-S200 WeakPolarHBondContact O-CB 3.42Å; L196-S200 PolarHBondContact O-N 3.26Å; S200-A204 WeakPolarHBondContact O-CB 3.45Å; S200-A204 PolarHBondContact O-N 2.76Å
201T97.4Very high95.3Very high85 Ų8572.5 Ų72.552%0.52135%0.352SS..Hα-helixtrans-67.1-40177.4-58.50000111.9T197 Q198 V199 A204 N205T197-T201 VanDerWaalsContact O-CB 3.27Å; T197-T201 WeakPolarHBondContact O-CB 3.25Å; T197-T201 PolarHBondContact O-N 2.91Å; T197-T201 PolarHBondContact O-OG1 3.36Å; Q198-T201 PolarHBondContact O-N 2.96Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.04Å; T201-A204 PolarHBondContact O-N 3.46Å; T201-N205 WeakPolarHBondContact O-CB 3.23Å; T201-N205 PolarHBondContact O-N 3.12Å
202W97Very high94.7Very high57 Ų5777.5 Ų77.522%0.21637%0.37CS..Hα-helixtrans-61.3-49.5177-170.6100.2000110.9L167 K168 L171 Q198 V199 A204 N205 A206L167-W202 HydrophobicContact CB-CD2 4.07Å; L167-W202 HydrophobicContact CB-CE3 3.83Å; L167-W202 HydrophobicContact CB-CH2 3.6Å; L167-W202 HydrophobicContact CB-CZ2 3.81Å; L167-W202 HydrophobicContact CB-CZ3 3.6Å; L167-W202 HydrophobicContact CD1-CB 4.34Å; L167-W202 HydrophobicContact CD1-CD2 3.65Å; L167-W202 HydrophobicContact CD1-CE3 4.07Å; L167-W202 HydrophobicContact CD1-CG 3.75Å; L167-W202 HydrophobicContact CD1-CZ2 4.49Å; L167-W202 HydrophobicContact CG-CD2 4.47Å; L167-W202 HydrophobicContact CG-CE3 4.47Å; K168-W202 HydrophobicContact CG-CH2 4.12Å; K168-W202 HydrophobicContact CG-CZ2 4.14Å; L171-W202 HydrophobicContact CB-CZ3 4.5Å; L171-W202 HydrophobicContact CD2-CH2 3.83Å; L171-W202 HydrophobicContact CD2-CZ3 3.89Å; Q198-W202 WeakPolarHBondContact O-CB 3.45Å; Q198-W202 PolarHBondContact O-N 2.85Å; V199-W202 PolarHBondContact O-N 2.89Å; W202-A204 PolarHBondContact O-N 3.01Å; W202-N205 WeakPolarHBondContact O-CB 3.38Å; W202-N205 PolarHBondContact O-N 3.36Å; W202-N205 VanDerWaalsContact O-N 3.09Å; W202-A206 HydrophobicContact CE3-CB 4.08Å; W202-A206 HydrophobicContact CH2-CB 4.28Å; W202-A206 HydrophobicContact CZ3-CB 3.86Å; W202-A206 WeakPolarHBondContact O-CB 3.27Å; W202-A206 PolarHBondContact O-N 3.35Å
203F97.3Very high93.8Very high2 Ų281.5 Ų81.51%0.00939%0.389CS..Hα-helixtrans-63.1-41176.5-83.5-70.9000112.6L167 W170 L171 P180 L188 V199 N205 A206 R207L167-F203 HydrophobicContact CD2-CE2 3.94Å; L167-F203 HydrophobicContact CD2-CZ 4.32Å; W170-F203 HydrophobicContact CD2-CE1 4.48Å; W170-F203 HydrophobicContact CD2-CZ 4.19Å; W170-F203 HydrophobicContact CE3-CD1 4.38Å; W170-F203 AromaticContact CE3-CE1 3.34Å; W170-F203 HydrophobicContact CE3-CE1 3.34Å; W170-F203 AromaticContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CE3-CZ 3.42Å; W170-F203 VanDerWaalsContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CZ3-CD1 4.18Å; W170-F203 AromaticContact CZ3-CE1 3.54Å; W170-F203 HydrophobicContact CZ3-CE1 3.54Å; W170-F203 AromaticContact CZ3-CZ 3.94Å; W170-F203 HydrophobicContact CZ3-CZ 3.94Å; L171-F203 HydrophobicContact CB-CE1 4.16Å; L171-F203 HydrophobicContact CD1-CE1 4.37Å; P180-F203 HydrophobicContact CG-CD2 3.86Å; P180-F203 HydrophobicContact CG-CE2 4.03Å; P180-F203 HydrophobicContact CG-CG 4.15Å; P180-F203 HydrophobicContact CG-CZ 4.48Å; L188-F203 HydrophobicContact CD1-CE2 3.77Å; L188-F203 HydrophobicContact CD1-CZ 3.9Å; V199-F203 HydrophobicContact CG1-CD2 3.82Å; V199-F203 HydrophobicContact CG1-CE2 3.8Å; V199-F203 WeakPolarHBondContact O-CD2 3.05Å; V199-F203 PolarHBondContact O-N 2.72Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 3.29Å; F203-A206 PolarHBondContact O-N 3.09Å; F203-R207 WeakPolarHBondContact O-CG 3.27Å; F203-R207 PolarHBondContact O-N 2.82Å
204A96.4Very high92.7Very high27 Ų2778.4 Ų78.422%0.22338%0.381CS..Hα-helixtrans-63.4-30.4174.100000112.6S200 T201 W202 R208S200-A204 WeakPolarHBondContact O-CB 3.45Å; S200-A204 PolarHBondContact O-N 2.76Å; T201-A204 PolarHBondContact O-N 3.46Å; W202-A204 PolarHBondContact O-N 3.01Å; A204-R208 VanDerWaalsContact C-NH1 3.25Å; A204-R208 WeakPolarHBondContact O-CD 3.44Å; A204-R208 VanDerWaalsContact O-CG 3.25Å; A204-R208 WeakPolarHBondContact O-CG 3.32Å; A204-R208 PolarHBondContact O-NH1 3.39Å
205N96.4Very high91.5Very high70 Ų7083.7 Ų83.737%0.37440%0.403SS..Hα-helixtrans-75.9-45173.3-156.2-77.1000111.1T201 W202 F203 R208 R209T201-N205 WeakPolarHBondContact O-CB 3.23Å; T201-N205 PolarHBondContact O-N 3.12Å; W202-N205 WeakPolarHBondContact O-CB 3.38Å; W202-N205 PolarHBondContact O-N 3.36Å; W202-N205 VanDerWaalsContact O-N 3.09Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 3.29Å; N205-R208 PolarHBondContact O-N 2.9Å; N205-R209 WeakPolarHBondContact O-CG 3.43Å; N205-R209 PolarHBondContact O-N 2.84Å; N205-R209 VanDerWaalsContact O-N 3.11Å; N205-R209 VanDerWaalsContact OD1-CZ 3.28Å; N205-R209 PolarHBondContact OD1-NE 2.89Å; N205-R209 PolarHBondContact OD1-NH2 3.5Å
206A95.1Very high89.9Confident9 Ų982 Ų827%0.07439%0.39CS..Hα-helixtrans-61-49.9179.900000112.4L171 W202 F203 R208 R209 L210L171-A206 HydrophobicContact CD2-CB 3.76Å; W202-A206 HydrophobicContact CE3-CB 4.08Å; W202-A206 HydrophobicContact CH2-CB 4.28Å; W202-A206 HydrophobicContact CZ3-CB 3.86Å; W202-A206 WeakPolarHBondContact O-CB 3.27Å; W202-A206 PolarHBondContact O-N 3.35Å; F203-A206 PolarHBondContact O-N 3.09Å; A206-R208 VanDerWaalsContact C-N 3.27Å; A206-R208 PolarHBondContact O-N 2.91Å; A206-R209 WeakPolarHBondContact O-CA 3.28Å; A206-R209 WeakPolarHBondContact O-CB 3.02Å; A206-R209 PolarHBondContact O-N 2.91Å; A206-L210 VanDerWaalsContact O-CD1 3.32Å; A206-L210 WeakPolarHBondContact O-CD1 3.5Å; A206-L210 PolarHBondContact O-N 3.49Å
207R95.2Very high88.2Confident47 Ų4782.5 Ų82.518%0.17740%0.397CS..Hα-helixtrans-58.5-37.2177.6-67.9-162.1-60.3-93.13.1112.7P178 Y179 F203 K211P178-R207 HydrophobicContact CB-CG 4.3Å; P178-R207 HydrophobicContact CG-CG 4.09Å; P178-R207 WeakPolarHBondContact O-CD 3.5Å; P178-R207 PolarHBondContact O-NH1 2.82Å; Y179-R207 VanDerWaalsContact CE1-NH2 3.29Å; Y179-R207 VanDerWaalsContact CE2-CD 3.46Å; Y179-R207 VanDerWaalsContact CZ-NE 3.29Å; F203-R207 WeakPolarHBondContact O-CG 3.27Å; F203-R207 PolarHBondContact O-N 2.82Å; R207-K211 PolarHBondContact O-N 2.88Å
208R94.3Very high86.4Confident172 Ų17280.8 Ų80.865%0.64938%0.379SS*.Hα-helixtrans-65.4-37.7174.1-70.5175.7-172116.2-14.6112.5A204 N205 A206 K212A204-R208 VanDerWaalsContact C-NH1 3.25Å; A204-R208 WeakPolarHBondContact O-CD 3.44Å; A204-R208 VanDerWaalsContact O-CG 3.25Å; A204-R208 WeakPolarHBondContact O-CG 3.32Å; A204-R208 PolarHBondContact O-NH1 3.39Å; N205-R208 PolarHBondContact O-N 2.9Å; A206-R208 VanDerWaalsContact C-N 3.27Å; A206-R208 PolarHBondContact O-N 2.91Å; R208-K212 PolarHBondContact O-N 3.5Å; R208-K212 VanDerWaalsContact O-N 3.13Å
209R92.6Very high84.1Confident163 Ų16381 Ų8162%0.61539%0.391SS*.Hα-helixtrans-64-54.1173.6-66178.1-163.8-148.51.2110.7N205 A206 K211 K212 E213N205-R209 WeakPolarHBondContact O-CG 3.43Å; N205-R209 PolarHBondContact O-N 2.84Å; N205-R209 VanDerWaalsContact O-N 3.11Å; N205-R209 VanDerWaalsContact OD1-CZ 3.28Å; N205-R209 PolarHBondContact OD1-NE 2.89Å; N205-R209 PolarHBondContact OD1-NH2 3.5Å; A206-R209 WeakPolarHBondContact O-CA 3.28Å; A206-R209 WeakPolarHBondContact O-CB 3.02Å; A206-R209 PolarHBondContact O-N 2.91Å; R209-K211 VanDerWaalsContact C-N 3.27Å; R209-K211 PolarHBondContact O-N 3.01Å; R209-K212 WeakPolarHBondContact O-CA 3.49Å; R209-K212 PolarHBondContact O-N 3.03Å; R209-E213 VanDerWaalsContact O-CG 3.32Å; R209-E213 WeakPolarHBondContact O-CG 3.5Å; R209-E213 PolarHBondContact O-N 3.22Å
210L88.1Confident81.9Confident10 Ų1085.7 Ų85.75%0.05242%0.422CS..Hα-helixtrans-52.9-42.4179.2-90.566.4000112.2L171 A206 E213 N214 K215 M216L171-L210 HydrophobicContact CD1-CD2 4.15Å; L171-L210 HydrophobicContact CD2-CD1 4.31Å; L171-L210 HydrophobicContact CG-CD2 4.49Å; A206-L210 VanDerWaalsContact O-CD1 3.32Å; A206-L210 WeakPolarHBondContact O-CD1 3.5Å; A206-L210 PolarHBondContact O-N 3.49Å; L210-E213 WeakPolarHBondContact CA-OE1 3.46Å; L210-E213 PolarHBondContact N-OE1 3.04Å; L210-N214 PolarHBondContact O-N 2.97Å; L210-K215 PolarHBondContact O-N 3.27Å; L210-M216 HydrophobicContact CB-CB 4.21Å; L210-M216 HydrophobicContact CD2-CB 4.23Å; L210-M216 PolarHBondContact O-N 2.82Å
211K84.7Confident79.6Confident158 Ų15893.2 Ų93.269%0.68745%0.449SS*.Hα-helixtrans-67.3-37.9175.7-174170.2-178.8172.10113R207 R209R207-K211 PolarHBondContact O-N 2.88Å; R209-K211 VanDerWaalsContact C-N 3.27Å; R209-K211 PolarHBondContact O-N 3.01Å
212K83.4Confident76.8Confident197 Ų19795.5 Ų95.586%0.85746%0.458SS*.Hα-helixtrans-72.2-36.1178.7-177.6174.2179.1177.60112.9R208 R209 N214R208-K212 PolarHBondContact O-N 3.5Å; R208-K212 VanDerWaalsContact O-N 3.13Å; R209-K212 WeakPolarHBondContact O-CA 3.49Å; R209-K212 PolarHBondContact O-N 3.03Å; K212-N214 VanDerWaalsContact C-N 3.33Å
213E77.4Confident74.6Confident86 Ų86102.2 Ų102.240%0.40249%0.489SS..THydrogen-bonded Turntrans-90.57.9-175.971-173.1136.100114.1R209 L210 K215R209-E213 VanDerWaalsContact O-CG 3.32Å; R209-E213 WeakPolarHBondContact O-CG 3.5Å; R209-E213 PolarHBondContact O-N 3.22Å; L210-E213 WeakPolarHBondContact CA-OE1 3.46Å; L210-E213 PolarHBondContact N-OE1 3.04Å; E213-K215 HydrophobicContact CG-CB 3.82Å; E213-K215 HydrophobicContact CG-CD 4.02Å; E213-K215 HydrophobicContact CG-CG 3.77Å; E213-K215 PolarHBondContact O-N 3.01Å; E213-K215 VanDerWaalsContact OE2-CD 3.27Å; E213-K215 WeakPolarHBondContact OE2-CD 3.48Å; E213-K215 WeakPolarHBondContact OE2-CE 3.25Å
214N73.6Confident72.1Confident128 Ų128106.7 Ų106.768%0.68453%0.526SS*.SBendtrans58.4-4.1-175.9-160.7-102.9000116L210 K212 M216L210-N214 PolarHBondContact O-N 2.97Å; K212-N214 VanDerWaalsContact C-N 3.33Å; N214-M216 PolarHBondContact O-N 2.92Å
215K68.3Low69.4Low135 Ų135112.6 Ų112.659%0.58755%0.553SS**SBendtrans-6711.2176-59.9-177-157.5-560115L210 E213L210-K215 PolarHBondContact O-N 3.27Å; E213-K215 HydrophobicContact CG-CB 3.82Å; E213-K215 HydrophobicContact CG-CD 4.02Å; E213-K215 HydrophobicContact CG-CG 3.77Å; E213-K215 PolarHBondContact O-N 3.01Å; E213-K215 VanDerWaalsContact OE2-CD 3.27Å; E213-K215 WeakPolarHBondContact OE2-CD 3.48Å; E213-K215 WeakPolarHBondContact OE2-CE 3.25Å
216M65.6Low67.1Low43 Ų43116.7 Ų116.721%0.21258%0.575CS.*SBendtrans-154114.2155.8-157.766.3-150.400111.2R175 L210 N214 W218R175-M216 HydrophobicContact CB-CE 4.47Å; R175-M216 HydrophobicContact CB-SD 4.09Å; R175-M216 WeakPolarHBondContact O-CE 3.41Å; R175-M216 VanDerWaalsContact O-SD 3.32Å; L210-M216 HydrophobicContact CB-CB 4.21Å; L210-M216 HydrophobicContact CD2-CB 4.23Å; L210-M216 PolarHBondContact O-N 2.82Å; N214-M216 PolarHBondContact O-N 2.92Å; M216-W218 VanDerWaalsContact C-N 3.34Å; M216-W218 HydrophobicContact CB-CZ2 4.12Å; M216-W218 HydrophobicContact CG-CD2 4.44Å; M216-W218 HydrophobicContact CG-CH2 4.07Å; M216-W218 HydrophobicContact CG-CZ2 3.43Å; M216-W218 VanDerWaalsContact CG-CZ2 3.43Å; M216-W218 PolarHBondContact O-N 3.11Å
217T60.7Low65.1Low96 Ų96122 Ų12259%0.58960%0.603SS**  trans-69.893162.938.30000109.1S219T217-S219 PolarHBondContact O-N 3.32Å
218W58.4Low62.8Low67 Ų67129.9 Ų129.925%0.25463%0.632SS.*  trans-66.877.7164.9-74102.1000109.5R175 K176 P178 M216 P220R175-W218 WeakPolarHBondContact O-CH2 3.06Å; R175-W218 WeakPolarHBondContact O-CZ2 3.2Å; K176-W218 VanDerWaalsContact O-CZ3 3.25Å; K176-W218 WeakPolarHBondContact O-CZ3 3.24Å; P178-W218 HydrophobicContact CG-CH2 3.27Å; P178-W218 HydrophobicContact CG-CZ2 3.19Å; P178-W218 HydrophobicContact CG-CZ3 4.3Å; M216-W218 VanDerWaalsContact C-N 3.34Å; M216-W218 HydrophobicContact CB-CZ2 4.12Å; M216-W218 HydrophobicContact CG-CD2 4.44Å; M216-W218 HydrophobicContact CG-CH2 4.07Å; M216-W218 HydrophobicContact CG-CZ2 3.43Å; M216-W218 VanDerWaalsContact CG-CZ2 3.43Å; M216-W218 PolarHBondContact O-N 3.11Å; W218-P220 WeakPolarHBondContact O-CD 3.38Å
219S49.9Very low60.7Low101 Ų101129.6 Ų129.671%0.70664%0.636SS**  trans-47.5105.8-172.5-57.30000111.1T217 K221T217-S219 PolarHBondContact O-N 3.32Å; S219-K221 PolarHBondContact O-N 2.88Å
220P50.2Low58.3Low99 Ų99128.1 Ų128.164%0.64364%0.636SS**  trans-63.4133.6154.8-2.221.4000104.9W218 N222W218-P220 WeakPolarHBondContact O-CD 3.38Å; P220-N222 PolarHBondContact O-N 2.84Å
221K50.8Low55.9Low206 Ų206134 Ų13490%0.89667%0.667SS**  trans-73.575.6174.9-174.680175.2-173.20107.8S219 K223S219-K221 PolarHBondContact O-N 2.88Å; K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 3.44Å
222N38.7Very low53.6Low132 Ų132136.3 Ų136.371%0.70668%0.678SS**  trans-64.989.4174.4-83.628.1000109.1P220P220-N222 PolarHBondContact O-N 2.84Å
223K49.9Very low51.3Low199 Ų199134 Ų13487%0.86568%0.675SS**  trans-56.4146.3149.4-151.3175.3173.980.40106.9K221K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 3.44Å
224A44.7Very low49.1Very low95 Ų95135.1 Ų135.179%0.78569%0.692SS**  trans6764-172.700000116.2
225N40Very low47.2Very low151 Ų151133.9 Ų133.981%0.80769%0.694SS**  -140.278.3126.4-166-18.2000107.4
226D48.4Very low45.6Very low156 Ų156133.8 Ų133.883%0.83470%0.7SS**  trans-120.793.6175.7175.830.3000106.7
227D51.9Low44.1Very low121 Ų121137.7 Ų137.765%0.64773%0.73SS**  trans-159.5118170.8-145.2-36.2000108.9
228R48.1Very low43.2Very low213 Ų213141.4 Ų141.480%0.80474%0.738SS**  trans80.7102.6173-50.1168-163.7-140.7-2.4118.1
229K50.5Low42.4Very low166 Ų166145.7 Ų145.772%0.72276%0.76SS**  37.8138106.9-70.6174.7158.4-910118
230E40.8Very low42Very low131 Ų131147.2 Ų147.261%0.61276%0.756SS**  cis-161.7167.14.2-125.6151.618000111.1
231D38.5Very low41.8Very low133 Ų133150.9 Ų150.971%0.71176%0.762SS**  trans47.2116.3159.2-54.8-33000121.5
232F36.4Very low41.3Very low207 Ų207149.3 Ų149.391%0.90876%0.758SS**  -168.1117.9100.2-114-82.7000113.7
233N34.1Very low41.6Very low149 Ų149151.6 Ų151.680%0.79777%0.769SS**  trans-19.7135.4169.4-179.229.8000121.1
234S31.5Very low41.2Very low110 Ų110149.5 Ų149.577%0.76976%0.762SS**  trans-162.5126.9130.4-175.20000112.8
235S34.8Very low40.8Very low102 Ų102151.7 Ų151.771%0.71376%0.76SS**  trans16.8110.8167-84.30000119.2
236D33.6Very low40.7Very low133 Ų133149 Ų14971%0.71175%0.753SS**  76.8102.471.2-175.733.9000114.9
237C34.5Very low40.6Very low125 Ų125148.8 Ų148.885%0.84575%0.752SS**  trans-154.1107.3133.454.30000109.5
238K40.7Very low40.1Very low174 Ų174149 Ų14976%0.75775%0.752SS**  trans-75.4141.2168.1-61.4179.1179-178.20111
239E41.8Very low40Very low156 Ų156146.2 Ų146.273%0.72975%0.749SS**  -157.313597.7-170.4176.8150.300109.6K241E239-K241 IonicContact OE1-NZ 2.95Å; E239-K241 PolarHBondContact OE1-NZ 3.03Å
240E42.7Very low40.1Very low133 Ų133146 Ų14662%0.62176%0.755SS**  trans-79.5133.317448.6-90.576.200112.9
241K44.9Very low40.7Very low177 Ų177147 Ų14777%0.7776%0.762SS**  trans-152.392.4144.7-112.4165.5-144.677.20111.2E239E239-K241 IonicContact OE1-NZ 2.95Å; E239-K241 PolarHBondContact OE1-NZ 3.03Å
242E40.8Very low41.4Very low173 Ų173146.5 Ų146.581%0.80876%0.759SS**  trans-58.4132.9157.7-57.7171.1115.200109
243L45.3Very low42.4Very low180 Ų180146.6 Ų146.694%0.94276%0.762SS**  -124.1116.9127.6-78.6-177.7000107.6
244H40.1Very low43.3Very low154 Ų154146.6 Ų146.671%0.71376%0.762SS**  trans-76.5175178175.5-99.9000110.5
245L37.4Very low44.5Very low141 Ų141147.6 Ų147.674%0.73876%0.759SS**  trans78.2110.6-175.3-48.7169.3000112.9
246S37.5Very low45.3Very low94 Ų94149.1 Ų149.166%0.65777%0.768SS**  cis110.7127.51773.10000112.8
247D47.4Very low46.2Very low152 Ų152150.7 Ų150.781%0.81378%0.777SS**  trans80.9160.9152.8-146.69.6000118.9
248L41Very low47.2Very low126 Ų126153.3 Ų153.366%0.6677%0.774SS**  trans80.1125.6175.3-52-175.5000119.2
249E46.1Very low47.9Very low155 Ų155153.5 Ų153.572%0.72478%0.782SS**  trans58.3111147.5-67.4145.9-14700116.9
250D53Low48.2Very low160 Ų160154.3 Ų154.386%0.85679%0.791SS**  cis5875.835.6-150.733.7000112.7
251M51.9Low48.3Very low154 Ų154153.7 Ų153.776%0.75980%0.802SS**  trans-136.1105.5162.3-66-151.896.900110.4
252D53.8Low48.1Very low122 Ų122153.1 Ų153.165%0.65281%0.807SS**  trans51.587.4134.2-47.6-38.8000118.2D254D252-D254 PolarHBondContact O-N 2.87Å
253E57.2Low48.1Very low209 Ų209150.3 Ų150.398%0.97781%0.805SS**  trans-78.758.916657178.4155.200112.8
254D53Low48Very low149 Ų149151.2 Ų151.280%0.79781%0.805SS**  trans-117152.2-176.2-104.6-49.9000115.1D252D252-D254 PolarHBondContact O-N 2.87Å
255D57Low48.1Very low130 Ų130153.2 Ų153.270%0.69581%0.811SS**  trans5389.1179-155.731.2000119
256C51.4Low48.1Very low135 Ų135152.8 Ų152.891%0.91281%0.814SS**  trans-139.829.7162.8-94.20000113.2
257D52.5Low48Very low165 Ų165153.4 Ų153.488%0.88283%0.825SS**  trans-129.942.3-170.7-112.1-28000113
258K56.5Low47.5Very low180 Ų180150.5 Ų150.578%0.78382%0.822SS**  trans-149.848.8179.7-149.2177.7178.9175.80119
259L54.6Low47.2Very low179 Ų179152.2 Ų152.294%0.93783%0.832SS**  trans-143.375.8158.5-79.1-176.2000112.4
260D48.8Very low46.7Very low172 Ų172153.9 Ų153.992%0.9284%0.84SS**  trans-157.581.9158.5-140.3-0.2000110.9
261S43.5Very low45.9Very low120 Ų120155.3 Ų155.384%0.83984%0.841SS**  trans-169.981.9175.91720000112.2
262D42.1Very low44.8Very low166 Ų166154.7 Ų154.789%0.88884%0.841SS**  trans-147.5166156.2-148.1-25.7000110.6
263C39.4Very low43.9Very low114 Ų114155 Ų15577%0.7784%0.842SS**  trans68.972-177.3-1540000116.5
264E43.7Very low42.9Very low198 Ų198152.7 Ų152.793%0.92583%0.831SS**  -162.1107116.4-111.9-173.4177.500111
265K41.8Very low41.9Very low197 Ų197156.7 Ų156.786%0.85784%0.835SS**  trans-140.993.6169.9-167.7-179.9177.3-1740112.5
266V37Very low40.6Very low132 Ų132154.4 Ų154.480%0.883%0.829SS**  trans19.4127.9153.5-68.80000120.2
267A35.4Very low39.7Very low106 Ų106156.1 Ų156.188%0.87683%0.826SS**  trans-99.1120.915300000110.1
268A38.4Very low38.8Very low92 Ų92155 Ų15576%0.7683%0.825SS**  trans173.789.2160.300000106.5
269D34.9Very low37.7Very low162 Ų162150.5 Ų150.587%0.86682%0.821SS**  86.7113.975.3-164.5-125.1000111.6
270E35.8Very low37.3Very low190 Ų190148.3 Ų148.389%0.88882%0.818SS**  trans-92.3154.3175.4-72.3-155.3106.200111
271Q35.4Very low36.4Very low189 Ų189143.9 Ų143.988%0.88381%0.813SS**  trans-86.1150.4-173.6-65.7-174.7-5.800114.1
272D29.1Very low35.9Very low141 Ų141142.8 Ų142.875%0.75481%0.811SS**  trans69.5118.6162.6-150.233.5000114.7
273L35Very low36.4Very low129 Ų129140.3 Ų140.368%0.67580%0.804SS**  -155.1155.471.9-102.195.1000113.8
274Q35.3Very low36.2Very low160 Ų160142.2 Ų142.275%0.74881%0.806SS**  trans68.486.5149.8-69.6171.6800121
275R31.4Very low35.7Very low233 Ų233140.9 Ų140.988%0.87980%0.797SS**  69.1135107.1-162.6-178.6-177.5-147.80.7121
276S30.3Very low35.3Very low82 Ų82141.9 Ų141.957%0.57380%0.795SS**  trans83.1102.7150.745.80000122.9
277M32.3Very low34.9Very low172 Ų172141.9 Ų141.985%0.84779%0.791SS**  84.7141.8118-68.1-167.4-6200122.2
278V35.2Very low34.6Very low140 Ų140142.9 Ų142.985%0.84879%0.79SS**  trans77113.8154.11710000118.6
279A32Very low34.3Very low86 Ų86143.8 Ų143.871%0.71179%0.791SS**  trans-100.1-179.2154.900000108.5
280P46.5Very low34.2Very low133 Ų133141.7 Ų141.786%0.86479%0.789SS**  cis-131-174.11.442.8-26.7000113.5
281G30.8Very low34Very low79 Ų79139.5 Ų139.581%0.81478%0.783SS**  trans175.2111.4167.200000116
282A33Very low34Very low97 Ų97138 Ų13880%0.80278%0.781SS**  trans-137.4174.3162.100000107.5
283P52.4Low34.1Very low115 Ų115138.8 Ų138.875%0.74778%0.779SS**  cis-122.8-163.3-13.540.5-25.4000110.6
284L35.4Very low33.9Very low153 Ų153140.8 Ų140.880%0.80179%0.79SS**  -169152.6127.5-106.6168.5000112.9
285K33.3Very low33.7Very low171 Ų171137.7 Ų137.774%0.74379%0.786SS**  trans-98.6156.1173.2-58.6-179178.6-174.20111.4
286R32.4Very low34Very low218 Ų218134.3 Ų134.382%0.82378%0.784SS**  -166.5163.6123.2-104.3163.6-159.886.2-9.5112.1
287D29Very low34.1Very low132 Ų132137 Ų13771%0.70680%0.798SS**  trans-116.1-168.9-158.5-46.7-99.8000112.1
288C29.3Very low34.2Very low126 Ų126135.5 Ų135.585%0.85179%0.793SS**  trans79.9115.2178.5-51.90000114.6
289S31.1Very low34.2Very low112 Ų112133.8 Ų133.878%0.78379%0.787SS**  cis95118.631.2-169.40000114
290S33.9Very low34.2Very low118 Ų118138.9 Ų138.983%0.82579%0.794SS**  trans-161.7137.8153.145.90000109.8
291D31.8Very low33.9Very low144 Ų144140.8 Ų140.877%0.7779%0.791SS**  trans-76.4158.7-179.9-54.6-97.2000113.1
292L34.7Very low33.9Very low158 Ų158143.6 Ų143.683%0.82779%0.792SS**  170.6114.8108.8-88.8170000114.3
293H30.2Very low34.2Very low157 Ų157148.2 Ų148.273%0.72780%0.795SS**  34.995.5129.2-158.9-104000119.5S295H293-S295 PolarHBondContact CE1-OG 2.93Å; H293-S295 PolarHBondContact ND1-OG 3.43Å
294L31.9Very low34Very low171 Ų171148.8 Ų148.890%0.89580%0.798SS**  trans-79.1139.9159.8-99.575.8000111.2
295S30.9Very low33.9Very low95 Ų95147.4 Ų147.466%0.66480%0.8SS**  trans-125.4149.1171.9-65.20000110.9H293H293-S295 PolarHBondContact CE1-OG 2.93Å; H293-S295 PolarHBondContact ND1-OG 3.43Å
296L37.5Very low34.1Very low161 Ų161145 Ų14584%0.84381%0.805SS**  trans-87134.6-168.4-154.381.7000112.5
297T32.3Very low34.3Very low140 Ų140141.6 Ų141.686%0.85980%0.801SS**  trans-145.9132.2157.349.90000111.9
298N34.4Very low34.9Very low139 Ų139145.4 Ų145.474%0.74381%0.811SS**  trans-81.7157.3168.6-62.8-48000111.1
299S34.8Very low35.1Very low105 Ų105142.6 Ų142.673%0.73480%0.804SS**  -179.7118.2127.1-830000115.5
300F32.5Very low35.4Very low193 Ų193144.5 Ų144.585%0.84681%0.811SS**  trans49155.4132.8-60-72.3000124.4
301H40.8Very low35.4Very low172 Ų172143.4 Ų143.480%0.79681%0.809SS**  trans-92.2160.6-173.2-51.4-105000113.7
302T30Very low35.4Very low138 Ų138141.6 Ų141.685%0.84781%0.814SS**  trans-155.7138.1151.9-72.20000110.1
303F40.4Very low35.3Very low195 Ų195141.9 Ų141.986%0.85582%0.815SS**  trans-98.4143.8170-75.8-89.8000110.9
304P47.7Very low36.8Very low126 Ų126138.9 Ų138.982%0.81881%0.81SS**  trans-96.3140.8162.635-29.4000112.1
305C33.4Very low36.6Very low125 Ų125139 Ų13985%0.84581%0.805SS**  trans-119.6151.5162.9-172.50000108.4
306S36.3Very low36.9Very low120 Ų120142.1 Ų142.184%0.83981%0.814SS**  trans-146.1149-179.4-166.90000112.2
307I36.9Very low37.8Very low146 Ų146140.1 Ų140.175%0.74981%0.811SS**  trans-142.4131.2-164.3-60.9171.5000110.9
308K42.8Very low38.2Very low212 Ų212137.3 Ų137.392%0.92280%0.802SS**  trans159.7150.5155-90154.3-174.3179.50109.3
309G33.6Very low38.3Very low68 Ų68137.7 Ų137.770%0.70180%0.804SS**  cis162108.5-11.700000115
310V36.3Very low38.2Very low151 Ų151140.6 Ų140.692%0.91580%0.803SS**  trans53.1122.3150.2-168.90000121.6
311A33.4Very low38.4Very low96 Ų96138.1 Ų138.179%0.79380%0.797SS**  169.4150.8124.200000117.1
312A32.5Very low38.1Very low105 Ų105136.8 Ų136.887%0.86880%0.796SS**  trans82.9157.915300000123.5
313L33.7Very low39Very low164 Ų164135.1 Ų135.186%0.85979%0.787SS**  trans-153-176.7-170.8-104.1174.3000107.7
314P60.4Low38.7Very low94 Ų94133 Ų13361%0.6178%0.784SS**  cis-133.9-176.2-11.138-18.7000115.4
315H29Very low37.9Very low174 Ų174133.1 Ų133.181%0.80678%0.782SS**  170.7156.3123.8-99.6-79.8000115
316L36.6Very low38Very low160 Ų160131.9 Ų131.984%0.83877%0.774SS**  trans-140.4162174.9-67.9175.2000109.9
317P55.9Low37.8Very low120 Ų120135.5 Ų135.578%0.77978%0.775SS**  -136.6153.187.214.210.3000114.5
318A41.9Very low37.4Very low81 Ų81133.2 Ų133.267%0.66978%0.778SS**  63.6133.58700000114
319D35Very low37.2Very low147 Ų147127.6 Ų127.679%0.78677%0.771SS**  -176.5174.651.8-107.3-37.1000109.9
320F33Very low37.8Very low166 Ų166130.4 Ų130.473%0.72878%0.777SS**  cis-173.9127.1-5.2176.4-102000113.4
321I37Very low37.6Very low140 Ų140127.7 Ų127.772%0.71877%0.77SS**  trans77.1142.5152.6-73.8-166.7000125.3
322D33.7Very low37.6Very low144 Ų144128.9 Ų128.977%0.7777%0.772SS**  trans-75-159.4172.8-104.1-60.1000113.6
323P50.3Low37.9Very low103 Ų103130.5 Ų130.567%0.66977%0.771SS**  cis-149.9166.71249.8-30000120.4
324I33.8Very low38.8Very low151 Ų151128.5 Ų128.577%0.77477%0.768SS**  63.4117.5128.9-71173.4000123.7
325V31.3Very low37.5Very low129 Ų129129.9 Ų129.978%0.78278%0.78SS**  trans87.3143.2136.4156.20000124.5
326S34.4Very low37.9Very low98 Ų98126.5 Ų126.569%0.68578%0.782SS**  trans96.4102.5151.1-890000122.9
327K32Very low37.7Very low197 Ų197122.6 Ų122.686%0.85778%0.781SS**  82.1146.6103.1-167.3173.1-179175.30120.7
328A29.8Very low36.9Very low98 Ų98121.9 Ų121.981%0.8179%0.785SS**  trans95.4129.5163.700000118.2
329A37.2Very low36.6Very low93 Ų93125.2 Ų125.277%0.76980%0.796SS**  trans-97.7175.6159.100000108.8
330P46.9Very low36.6Very low128 Ų128123.3 Ų123.383%0.83180%0.795SS**  -150.6179.182.340.4-21.7000116.7
331A32.3Very low36.6Very low93 Ų93123.2 Ų123.277%0.76980%0.801SS**  trans-39151.7176.200000119.4
332S33Very low36.4Very low121 Ų121121 Ų12185%0.84680%0.798SS**  -165.3153.411841.40000113.4
333V38.9Very low36.4Very low139 Ų139123.5 Ų123.584%0.84281%0.805SS**  trans-140.9164.7168.7-114.50000106.2
334P53.4Low35.6Very low122 Ų122127.8 Ų127.879%0.79281%0.813SS**  cis-125.9-176.6-14.537.9-21.9000112.1
335S32.3Very low35.5Very low124 Ų124129.7 Ų129.787%0.86782%0.819SS**  trans-150.6155.3150.1-164.90000110.9
336A37.4Very low35.7Very low102 Ų102128.8 Ų128.884%0.84382%0.818SS**  trans-97.1141.1-172.200000112.6
337G32.5Very low35.9Very low78 Ų78129.1 Ų129.180%0.80482%0.821SS**  trans-137105.8168.300000109.6
338A38.2Very low36.3Very low105 Ų105127.1 Ų127.187%0.86881%0.814SS**  trans-91.4125.4179.500000110.8
339V35.8Very low37.1Very low151 Ų151130.1 Ų130.192%0.91581%0.809SS**  trans-134.8143.2163.5-82.50000108.8
340S36Very low37.6Very low108 Ų108131.7 Ų131.776%0.75581%0.811SS**  trans-144.3161.7-175.8-171.20000109.9
341L32.6Very low37.7Very low163 Ų163136 Ų13685%0.85381%0.811SS**  trans65.1135.6-163.7-68.169.8000112.2
342S33Very low39.1Very low93 Ų93138.6 Ų138.665%0.6581%0.81SS**  cis-141142.626.643.30000112.9
343H32.5Very low39.6Very low198 Ų198144.6 Ų144.692%0.91782%0.815SS**  trans-76.9120163.5-101.1-89.2000108.6
344F34.7Very low40Very low193 Ų193143.8 Ų143.885%0.84682%0.815SS**  trans-82.4144.9166-100.8-87000111.5
345E32.1Very low40.1Very low190 Ų190146 Ų14689%0.88882%0.82SS**  trans-87.2115.8-161.8-161.1172.8146.200112S347E345-S347 PolarHBondContact O-N 3.13Å; E345-S347 VanDerWaalsContact O-N 3.16Å
346S35.2Very low41.2Very low110 Ų110144.8 Ų144.877%0.76982%0.817SS**  trans-74.9104.9-177.658.10000111.6E348S346-E348 PolarHBondContact O-N 3.4Å
347S37.8Very low41.8Very low106 Ų106151.7 Ų151.774%0.74182%0.821SS**  trans-64.391.2179.2-173.40000112.9E345E345-S347 PolarHBondContact O-N 3.13Å; E345-S347 VanDerWaalsContact O-N 3.16Å
348E39.8Very low42.5Very low155 Ų155154.9 Ų154.972%0.72483%0.825SS**  trans-84.1131.1174.7-172.1163.6-164.100111.6S346S346-E348 PolarHBondContact O-N 3.4Å
349K48.3Very low42.4Very low161 Ų161154.6 Ų154.670%0.782%0.823SS**  trans-72.4139.3-176-72.971.8174.2170.10110.1R351K349-R351 PolarHBondContact O-N 3.13Å
350P46.1Very low42.7Very low126 Ų126152.3 Ų152.382%0.81882%0.82SS**  trans-66.4101.9-174.326.8-35.3000112.2I352P350-I352 PolarHBondContact O-N 2.78Å
351R50.8Low42.6Very low218 Ų218153.4 Ų153.482%0.82383%0.827SS**  trans-88.797.4169.2-63.4-170.7-166.1171.110.2110K349K349-R351 PolarHBondContact O-N 3.13Å
352I61.4Low42.9Very low147 Ų147149 Ų14975%0.75482%0.822SS**  trans-54.7166.5161.4-56169.6000108.8P350P350-I352 PolarHBondContact O-N 2.78Å
353W43.2Very low43.2Very low247 Ų247150.9 Ų150.994%0.93683%0.829SS**  trans87.343.1-170.8-56.970.4000114.5L355W353-L355 PolarHBondContact O-N 3.19Å; W353-L355 VanDerWaalsContact O-N 3.08Å
354S47.3Very low43.2Very low122 Ų122148.8 Ų148.885%0.85382%0.823SS**  trans-69.392.8166.653.60000111.8
355L55.7Low43.5Very low170 Ų170147.1 Ų147.189%0.8982%0.822SS**  trans-13750.4176.4-159.697.6000113.9W353W353-L355 PolarHBondContact O-N 3.19Å; W353-L355 VanDerWaalsContact O-N 3.08Å
356A54.9Low43.3Very low97 Ų97145.2 Ų145.280%0.80282%0.818SS**  trans-175.790.6158.400000112.5
357R50.3Low43.9Very low248 Ų248145 Ų14594%0.93681%0.814SS**  trans-154.173.3157.8-81.3-154.8-177.21673.5111.6
358T47.2Very low43.8Very low144 Ų144148.8 Ų148.888%0.88382%0.82SS**  trans-149.7154.2165.8-39.40000108.5
359A35.1Very low43.6Very low100 Ų100149.9 Ų149.983%0.82683%0.825SS**SBendtrans66.770.6-179.600000116.7
360A42.2Very low42.9Very low103 Ų103150.9 Ų150.985%0.85183%0.832SS**  trans-157.148.9151.200000111.6G362A360-G362 PolarHBondContact O-N 3.38Å
361S35.3Very low42.1Very low130 Ų130148.9 Ų148.991%0.90983%0.834SS**  trans-84.699.2170-171.40000108.8
362G38.8Very low41.4Very low72 Ų72143.7 Ų143.774%0.74283%0.831SS**  trans-134.5103.2178.500000110A360A360-G362 PolarHBondContact O-N 3.38Å
363V37.7Very low40Very low131 Ų131144.7 Ų144.779%0.79483%0.832SS**  trans-68.5137.9170.3172.70000108.9
364I33.8Very low39.6Very low154 Ų154139.4 Ų139.479%0.7982%0.822SS**  trans-173134.8131.9-98-67.5000108.9
365L39.6Very low38.9Very low158 Ų158144.2 Ų144.283%0.82782%0.822SS**  trans-78.3146.2168.4-66.6160.2000108.9
366N28.8Very low37.9Very low150 Ų150142.6 Ų142.680%0.80282%0.819SS**  trans-143.4113.6158.5-163.350.6000113.1
367P48.3Very low36.7Very low106 Ų106142.1 Ų142.169%0.68882%0.823SS**  trans-77.2154160.433.7-32000110.9
368Q35.4Very low36Very low185 Ų185135.6 Ų135.686%0.86482%0.815SS**  trans-61.8127.5172.9164.6-171.1-26.300112.6
369Q34.8Very low35.3Very low178 Ų178136.5 Ų136.583%0.83281%0.814SS**  trans-168.1174.4142.7-109.8-177.922.900114.5
370H33.6Very low35.3Very low183 Ų183137.9 Ų137.985%0.84781%0.812SS**  trans-68160.7-167.6-51.3-96.7000115.6
371G29.4Very low34.9Very low84 Ų84136.8 Ų136.887%0.86681%0.811SS**  trans172.3120.3162.700000114.7
372S36.2Very low35Very low109 Ų109138 Ų13876%0.76281%0.807SS**  trans-96.4162.8-176.746.50000114.5
373E33Very low34.6Very low167 Ų167140.4 Ų140.478%0.7881%0.811SS**  trans84.8118.3152.9-73.1-175.3158.400124.1
374L34.4Very low34.3Very low137 Ų137141.6 Ų141.672%0.71781%0.808SS**  71131.6124.6-67.1168.2000125
375R32.8Very low34.2Very low223 Ų223141.2 Ų141.284%0.84281%0.807SS**  trans74.7110.6144.3-78.2-174.5177.9-178.91.4122.2
376T34.7Very low33.8Very low136 Ų136142.8 Ų142.883%0.83481%0.81SS**  18.7122.812553.10000119.9
377G30.1Very low33.8Very low86 Ų86140.8 Ų140.889%0.88781%0.808SS**  trans-161.9128.4156.900000111.3
378S34.4Very low32.9Very low111 Ų111140.4 Ų140.478%0.77681%0.808SS**  trans-108.9146.7169.6177.50000108.6
379L33.2Very low32.7Very low164 Ų164142.7 Ų142.786%0.85981%0.808SS**  trans-175.2167.7131.4-100.8161.6000113.4
380T35.6Very low32.5Very low129 Ų129142.5 Ų142.579%0.79181%0.812SS**  trans-87.5161.8-173.945.10000114.2
381G33.8Very low32.8Very low79 Ų79139.6 Ų139.681%0.81481%0.81SS**  trans-164.3104.1165.400000113.1
382D36.7Very low32.8Very low156 Ų156146.3 Ų146.383%0.83481%0.809SS**  trans-84.9147.4171.2-78.4-75.2000112.1
383C29.5Very low32.7Very low123 Ų123145.6 Ų145.683%0.83181%0.809SS**  trans171157.6147.2-102.30000111.1
384Q32.4Very low33.6Very low156 Ų156142 Ų14273%0.72980%0.801SS**  cis-170.7127.7-48.7176.3172.37.900107.2
385L32.3Very low33.8Very low145 Ų145142.4 Ų142.476%0.75981%0.809SS**  trans43.4127.8161.9-60.3169.2000119.7
386Q31.1Very low33.8Very low191 Ų191135.2 Ų135.289%0.89381%0.805SS**  -165.7137.187-97.2-1764.600115.3
387S28.1Very low33.8Very low108 Ų108137.3 Ų137.376%0.75581%0.805SS**  trans21.9127.6144.4-153.90000120.3
388S29.6Very low33.8Very low98 Ų98139.1 Ų139.169%0.68580%0.802SS**  -176.915184.4430000116.8
389R30.1Very low33.7Very low234 Ų234137.7 Ų137.788%0.88381%0.805SS**  trans50.990.1153.2-60.4178.4-148.9-90.90.5121.4
390L31.6Very low33.6Very low174 Ų174134.4 Ų134.491%0.91180%0.802SS**  31.7158113.8-67.2179.8000123.3
391P40.1Very low33.6Very low122 Ų122135.6 Ų135.679%0.79281%0.809SS**  trans-115.9-175-145.144.7-37000116.6
392R28.6Very low33.6Very low224 Ų224143.8 Ų143.885%0.84582%0.816SS**  trans-98.6142.3170.9177.2179.3179.9175.81.4112.3
393A33.5Very low33.2Very low94 Ų94139.8 Ų139.878%0.77781%0.811SS**  trans-135.7150.9160.200000110
394P53.4Low33.2Very low92 Ų92141.6 Ų141.660%0.59781%0.812SS**  trans-139.4175.9166.735.5-17.7000115.5
395T37.7Very low33.2Very low145 Ų145140.9 Ų140.989%0.8981%0.812SS**  trans110.2146.4153.170.10000120
396G32.9Very low33.1Very low73 Ų73140.7 Ų140.775%0.75381%0.807SS**  trans119.9146.9-177.300000111.5
397Q36.2Very low33.1Very low180 Ų180136.6 Ų136.684%0.84180%0.8SS**  cis-168.8149.8-36.1-129.6-174.23000107.4
398C28.9Very low33.2Very low123 Ų123137.5 Ų137.583%0.83180%0.796SS**  trans43.6132.8156-610000122.3
399G31.8Very low33.3Very low81 Ų81137.9 Ų137.984%0.83580%0.798SS**  trans169.8146.2163.400000113
400A31.4Very low33.3Very low96 Ų96133.1 Ų133.179%0.79380%0.795SS**  trans-148.1153.9-177.900000112
401T35.2Very low33.4Very low154 Ų154130 Ų13095%0.94578%0.784SS**  trans-166.2-179.6152.213.70000114
402R33.9Very low33Very low251 Ų251131.9 Ų131.995%0.94779%0.787SS**  trans-100.3163-162.9-65.2166.4158.5166.6-8.8116.4
403G29.2Very low33.1Very low72 Ų72125.7 Ų125.774%0.74278%0.778SS**  trans102.5157.514100000116.7
404L29.8Very low32.9Very low161 Ų161129.6 Ų129.684%0.84378%0.78SS**  cis-164-172.5-7.3-159.8106.5000109.6
405L31.4Very low31.8Very low140 Ų140129.4 Ų129.473%0.73378%0.781SS**  trans77.6145.8174.1-50.6168.3000115.4
406E29.7Very low31.3Very low142 Ų142128.4 Ų128.466%0.66478%0.78SS**  cis-157.7152.5-14-125.7179.5119.200108.3
407S31.7Very low31.2Very low104 Ų104134.8 Ų134.873%0.72779%0.787SS**  178.8137.481.3-59.30000113.6
408N30.3Very low32.1Very low128 Ų128131.8 Ų131.868%0.68478%0.783SS**  trans20.2119.1139.5-59.9-33.1000120.9
409S31.5Very low32.2Very low105 Ų105135.1 Ų135.173%0.73479%0.787SS**  80.3142.478.779.80000114.8
410V30.4Very low32.1Very low134 Ų134135 Ų13581%0.81279%0.785SS**  -153.3-164.165.5168.20000111.3
411T34Very low32.1Very low109 Ų109136.3 Ų136.367%0.66979%0.789SS**  trans-119.5166-148.556.40000119
412N31Very low31.9Very low161 Ų161133.8 Ų133.886%0.86178%0.777SS**  trans72.8157.3152.9-76.2-12.7000118.1
413S31.6Very low31.9Very low94 Ų94129.4 Ų129.466%0.65777%0.772SS**  cis-155.7154.96.541.80000113.1
414E29.7Very low32.3Very low177 Ų177134.6 Ų134.683%0.82778%0.776SS**  trans61168.5151.6-75.5-16074.200120.7
415S29Very low32.4Very low87 Ų87131.1 Ų131.161%0.60877%0.765SS**  cis-165.6144.5-42.161.50000109.5
416S28.7Very low32.8Very low125 Ų125132.8 Ų132.887%0.87477%0.767SS**  trans-179.7129.5156.8-81.90000112.8
417F30.6Very low33.2Very low206 Ų206132 Ų13290%0.90477%0.771SS**  trans-121-178.4164.8-89.2-83.4000107
418P53.6Low33.5Very low117 Ų117136.9 Ų136.976%0.7678%0.775SS**  cis-114.7-164.30.823.82.3000110.6
419E31Very low33.8Very low194 Ų194134.2 Ų134.291%0.90778%0.778SS**  cis-143.3168.826.9-73.3178.594.100113.3
420G30.4Very low34Very low77 Ų77136.1 Ų136.179%0.79479%0.786SS**  trans-158.1123.2175.800000114.2
421S32.2Very low34.2Very low125 Ų125133.6 Ų133.687%0.87479%0.787SS**  trans-175.7161.7159.357.40000107.8
422S30.9Very low34.3Very low100 Ų100134.1 Ų134.170%0.69980%0.795SS**  cis-168.1156.4-33.5-175.10000105.9
423L33.6Very low34.7Very low160 Ų160136.3 Ų136.384%0.83879%0.792SS**  trans53.4105.6167.2-65.3159.7000118.4
424H36.6Very low34.9Very low180 Ų180136.6 Ų136.683%0.83379%0.794SS**  -157.7147.4104.9-149.8-84.6000112.2
425S32.7Very low35.4Very low88 Ų88136.1 Ų136.162%0.61579%0.792SS**  trans-90.8143.3173.51780000112
426K39.2Very low36.2Very low175 Ų175141.1 Ų141.176%0.76180%0.803SS**  trans-162117.7147-115164.1-173.91730111.3Y428K426-Y428 HydrophobicContact CG-CE2 4.32Å
427V37.9Very low36.7Very low125 Ų125138.7 Ų138.776%0.75880%0.797SS**  trans-98.8121175.3173.90000109.7
428Y38.4Very low37.3Very low208 Ų208136.9 Ų136.982%0.81680%0.796SS**  trans-147.1141.5154.8-61.8-76.4000106.2K426K426-Y428 HydrophobicContact CG-CE2 4.32Å
429G36.2Very low36.5Very low72 Ų72138.9 Ų138.974%0.74280%0.795SS**  cis151.878.14.800000108.3G431G429-G431 PolarHBondContact O-N 3.09Å
430T37.5Very low36.8Very low145 Ų145137.5 Ų137.589%0.8979%0.793SS**  trans-71.6108.8-168.832.80000112.5S432T430-S432 PolarHBondContact O-N 3.32Å
431G33.7Very low37.2Very low81 Ų81141.3 Ų141.384%0.83579%0.79SS**  trans-70.9110.4177.600000112.6G429 Y433G429-G431 PolarHBondContact O-N 3.09Å; G431-Y433 PolarHBondContact O-N 3.44Å
432S36.9Very low37.4Very low119 Ų119140.4 Ų140.483%0.83278%0.784SS**  trans-81.8111.4171.944.20000110.6T430 S434T430-S432 PolarHBondContact O-N 3.32Å; S432-S434 PolarHBondContact O-N 2.81Å
433Y37.7Very low37.5Very low207 Ų207141.2 Ų141.281%0.81279%0.789SS**  trans-81.8112.5177.9-162.1-98.5000111G431G431-Y433 PolarHBondContact O-N 3.44Å
434S36.2Very low37.8Very low100 Ų100138.5 Ų138.570%0.69978%0.784SS**  trans-91.4107.9-177.4-170.30000111.3S432 K436S432-S434 PolarHBondContact O-N 2.81Å; S434-K436 PolarHBondContact O-N 3.4Å; S434-K436 VanDerWaalsContact O-N 3.1Å
435H40Very low38.1Very low167 Ų167141.1 Ų141.177%0.77379%0.788SS**  trans-70.6101.8171.7-90.8-89000110.9
436K45.9Very low38.8Very low193 Ų193141 Ų14184%0.83979%0.792SS**  trans-68.7128.7162.7-68.6-171.5176.4-175.60109.2S434S434-K436 PolarHBondContact O-N 3.4Å; S434-K436 VanDerWaalsContact O-N 3.1Å
437G40.5Very low39.2Very low74 Ų74138.6 Ų138.676%0.76380%0.795SS**  trans-66.5134.417700000111.9Q439G437-Q439 PolarHBondContact O-N 3.27Å
438L42.2Very low39.4Very low168 Ų168140.7 Ų140.788%0.8880%0.801SS**  trans-77.7107.3172.9-72.7171.2000109.7L440L438-L440 PolarHBondContact O-N 2.88Å; L438-L440 VanDerWaalsContact O-N 3.07Å
439Q37.3Very low40Very low158 Ų158136.2 Ų136.274%0.73880%0.797SS**  trans-76.790.8179.4-171.1172.44.400110.3G437 H441G437-Q439 PolarHBondContact O-N 3.27Å; Q439-H441 PolarHBondContact O-N 3.21Å; Q439-H441 VanDerWaalsContact O-N 3.07Å
440L37Very low40.2Very low165 Ų165141 Ų14186%0.86481%0.806SS**  trans-69.4100.5173.6-73.7172.1000110.3L438 S442L438-L440 PolarHBondContact O-N 2.88Å; L438-L440 VanDerWaalsContact O-N 3.07Å; L440-S442 PolarHBondContact O-N 2.69Å; L440-S442 VanDerWaalsContact O-N 3.12Å
441H38.5Very low40.4Very low157 Ų157138.2 Ų138.273%0.72780%0.798SS**  trans-72.199.4170.3-82.8-100.5000110.4Q439 S443Q439-H441 PolarHBondContact O-N 3.21Å; Q439-H441 VanDerWaalsContact O-N 3.07Å; H441-S443 PolarHBondContact O-N 3.08Å
442S36.4Very low40.5Very low106 Ų106141 Ų14174%0.74180%0.803SS**  trans-68.3115.5165.152.90000109.7L440 S444L440-S442 PolarHBondContact O-N 2.69Å; L440-S442 VanDerWaalsContact O-N 3.12Å; S442-S444 PolarHBondContact O-N 2.95Å
443S34.2Very low40.4Very low117 Ų117144.1 Ų144.182%0.81880%0.804SS**  trans-75.3104.3175.6-165.40000110.1H441H441-S443 PolarHBondContact O-N 3.08Å
444S38.5Very low40.1Very low104 Ų104145.1 Ų145.173%0.72781%0.808SS**PPolyproline II helixtrans-75.9129.4172.9-61.90000110.4S442S442-S444 PolarHBondContact O-N 2.95Å
445Y44.3Very low40.1Very low234 Ų234146.2 Ų146.292%0.91881%0.811SS**PPolyproline II helixtrans-65.6133.2167.2-90.5-99.4000110.4
446A45.4Very low39.9Very low85 Ų85144.2 Ų144.270%0.70281%0.811SS**PPolyproline II helixtrans-91.8145.9165.500000109.9
447P49.5Very low39.7Very low126 Ų126142.9 Ų142.982%0.81881%0.811SS**PPolyproline II helixtrans-75.3142.5175.331.6-34.1000111.2
448L40.7Very low39.6Very low168 Ų168148 Ų14888%0.8882%0.815SS**PPolyproline II helixtrans-99.9148.2162.7-81.6169.3000109.7
449P52Low39.2Very low115 Ų115143.7 Ų143.775%0.74781%0.811SS**PPolyproline II helixtrans-87.5156.4-168.334.9-36.8000114.3A451P449-A451 PolarHBondContact O-N 2.88Å
450D40.5Very low38.9Very low171 Ų171145.6 Ų145.691%0.91482%0.817SS**PPolyproline II helixtrans-65.3119.9164.3-75.2-59.5000111.7
451A41.5Very low38.9Very low88 Ų88142.5 Ų142.573%0.72781%0.809SS**  trans-170.997.7150.200000111.2P449P449-A451 PolarHBondContact O-N 2.88Å
452C34.2Very low38.7Very low138 Ų138141.3 Ų141.393%0.93282%0.819SS**  trans-130.8105.8160.4-83.90000108.7
453Q35.7Very low38.5Very low186 Ų186139.5 Ų139.587%0.86982%0.817SS**  trans-75.8137.1180-63.3173.70.600109.6T455Q453-T455 PolarHBondContact O-N 3.16Å
454Y32.3Very low38.5Very low227 Ų227142.9 Ų142.989%0.8982%0.817SS**  trans-81.5113.7179-162.9-90.6000110
455T35.4Very low38.5Very low123 Ų123144.6 Ų144.676%0.75582%0.823SS**  trans-83.7114.5-178.2320000112.1Q453Q453-T455 PolarHBondContact O-N 3.16Å
456T35.4Very low37.9Very low126 Ų126140 Ų14077%0.77381%0.81SS**  trans-63.1134.3169.5-49.50000111.3
457I42.7Very low37.5Very low165 Ų165144.2 Ų144.285%0.84682%0.818SS**  trans-135.5146.2154.951173.2000109.5
458E36.7Very low36.8Very low182 Ų182146.5 Ų146.585%0.8582%0.818SS**  trans-88.2158-167.2-61.3170104.600113.4
459G34.7Very low36.4Very low77 Ų77143.8 Ų143.879%0.79481%0.814SS**  trans-158.5102.9175.300000112.1
460F32.1Very low35.6Very low197 Ų197143.4 Ų143.486%0.86481%0.813SS**  trans-55.6150.1177.3-82.3-118.4000111.6
461S36.2Very low35.3Very low100 Ų100142.8 Ų142.870%0.69981%0.81SS**  cis130.9102.610.6177.20000107.7
462S34.3Very low35.5Very low132 Ų132147.1 Ų147.192%0.92382%0.82SS**  trans179139.1162.3-80.10000109
463G32.4Very low35.7Very low69 Ų69145.6 Ų145.671%0.71181%0.811SS**  cis161.4100.7-9.800000112.8
464K34.8Very low35.7Very low187 Ų187146.7 Ų146.781%0.81382%0.816SS**  trans63.1160.5-176.2-77.9-168.5173-163.70113.8
465V37Very low36Very low141 Ų141140.3 Ų140.386%0.85581%0.81SS**  cis-121.5163.124.8173.10000113.4
466E32.5Very low35.8Very low138 Ų138141 Ų14165%0.64582%0.818SS**  trans-117129.2-167.5162.3-174.9-150.900110.1
467I37.3Very low35.7Very low172 Ų172138 Ų13888%0.88281%0.813SS**  trans-139.6132.4157.7-61.7-175.4000107.3
468Q35.3Very low35.5Very low175 Ų175136.5 Ų136.582%0.81881%0.812SS**  trans-134.7129.8-174178.9-169.299.400110
469S31.4Very low35.7Very low111 Ų111134.1 Ų134.178%0.77681%0.809SS**  trans177.4142.3165.6172.80000108.6
470S34.5Very low36.1Very low106 Ų106138.5 Ų138.574%0.74181%0.809SS**  cis-165.7157.6-22.2-94.70000106.9
471D35.5Very low36.4Very low158 Ų158135.6 Ų135.685%0.84580%0.802SS**  trans-60.7140.9177.7-70.7-80.4000114
472L44.5Very low36.7Very low180 Ų180137.6 Ų137.694%0.94281%0.805SS**  trans-143.1124.3139.1-85.1-172.4000110.3
473S38.8Very low37.3Very low106 Ų106140.3 Ų140.374%0.74180%0.801SS**  trans-103.2132.3171.757.50000110.3
474E36.9Very low37.9Very low208 Ų208143.1 Ų143.197%0.97280%0.803SS**  trans-159.1172.6147.2-120.1177.4142.500113.2
475A37Very low38.3Very low93 Ų93140 Ų14077%0.76980%0.8SS**  trans-106.2177.4-15100000116
476C31.9Very low39Very low137 Ų137137.4 Ų137.493%0.92679%0.794SS**  trans80.8134.9163.6-1370000116.7
477G33.6Very low39.6Very low64 Ų64140.1 Ų140.166%0.6680%0.804SS**  cis-172.8177.80.100000116.6
478T37.8Very low40.2Very low134 Ų134143.2 Ų143.282%0.82280%0.804SS**  trans-19.1131173.450.60000119.9
479V41.6Very low41.2Very low132 Ų132140.8 Ų140.880%0.880%0.804SS**  -144.8118.7117.8175.90000109.5
480Q42.2Very low42.2Very low169 Ų169142 Ų14279%0.7981%0.806SS**  trans-82.8149.5159.1-72.9177-33.700109.6
481N39.2Very low42.9Very low135 Ų135145.2 Ų145.272%0.72281%0.812SS**  trans-166.280.8156.2-111.3-73.3000112.5K483N481-K483 PolarHBondContact O-N 3.34Å
482D41.9Very low43.4Very low142 Ų142147 Ų14776%0.75981%0.812SS**  trans-66108.9170.4-69.8-76.5000111.7V484D482-V484 PolarHBondContact O-N 3.47Å; D482-V484 VanDerWaalsContact O-N 3.13Å
483K46.7Very low44Very low190 Ų190153.6 Ų153.683%0.82682%0.824SS**  trans-86.383.1173.7-77.8-172.2175.4176.20111.7N481 T485N481-K483 PolarHBondContact O-N 3.34Å; K483-T485 PolarHBondContact O-N 3.45Å
484V45.3Very low44.2Very low127 Ų127156 Ų15677%0.7783%0.829SS**  trans-49.7126.71711780000111.2D482 A486D482-V484 PolarHBondContact O-N 3.47Å; D482-V484 VanDerWaalsContact O-N 3.13Å; V484-A486 PolarHBondContact O-N 3.06Å; V484-A486 VanDerWaalsContact O-N 3.09Å
485T44.5Very low44.6Very low122 Ų122153.3 Ų153.375%0.74882%0.821SS**  trans-7795176.3-63.70000110.4K483 F487K483-T485 PolarHBondContact O-N 3.45Å; T485-F487 PolarHBondContact O-N 3.42Å
486A49.9Very low45Very low87 Ų87156.6 Ų156.672%0.71982%0.824SS**  trans-74.1112.3179.700000112.3V484V484-A486 PolarHBondContact O-N 3.06Å; V484-A486 VanDerWaalsContact O-N 3.09Å
487F45.2Very low45.8Very low194 Ų194157.8 Ų157.885%0.85182%0.818SS**PPolyproline II helixtrans-65.9135.2169-81.1-103.6000110.8T485T485-F487 PolarHBondContact O-N 3.42Å
488R50.7Low46.6Very low237 Ų237163.6 Ų163.689%0.89483%0.828SS**PPolyproline II helixtrans-97.4119.4171.8-70.4-171.5176.8-157.9-0.6110.8
489P55.8Low47.2Very low124 Ų124165.6 Ų165.681%0.80583%0.828SS**PPolyproline II helixtrans-66138.8168.8-19.232.6000111.3M491P489-M491 PolarHBondContact O-N 3.29Å
490V52.3Low47.6Very low137 Ų137168 Ų16883%0.8383%0.83SS**  trans-89.7103.3174.1177.80000109.3K492V490-K492 PolarHBondContact O-N 3.34Å
491M49.2Very low48Very low174 Ų174167.9 Ų167.986%0.85783%0.833SS**  trans-70.7123.2163.5-71.6179.769.900109.4P489P489-M491 PolarHBondContact O-N 3.29Å
492K46.9Very low48.7Very low194 Ų194170.7 Ų170.784%0.84384%0.843SS**  trans-75.1145.8161.2-71.4179.7176.8177.10109.5V490V490-K492 PolarHBondContact O-N 3.34Å
493R56.1Low49.3Very low320 Ų320173.3 Ų173.3100%1.20885%0.85SS**  trans-118.10151.1-78.8-176.4174.2168.7-2.2107

Retrieved 493 of 493 residues in 86.9 ms (Link to these results)