A0A060X2Y2_ONCMY Loading...

Krueppel-like factor 15

AlphaFold DB , UniProt , Accession A0A060X2Y2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene klf15, Length 452 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
1M38.4Very low38.8Very low232 Ų232143.4 Ų143.4100%1.14378%0.775SS**  085.90-60.1166.2-177.400106.3
2V32Very low38.3Very low128 Ų128146.7 Ų146.778%0.77678%0.778SS**  cis58.9114.521.3-177.50000110.8
3D36.2Very low37.8Very low123 Ų123146.3 Ų146.366%0.65877%0.772SS**  cis-161.8-173.9-8.4-116.1-71.2000107.3
4H36.4Very low37.4Very low165 Ų165147.9 Ų147.976%0.76476%0.764SS**  cis-157.1-159.315.9-139.524.3000112
5L38Very low36.9Very low146 Ų146151.2 Ų151.276%0.76476%0.764SS**  trans-103.6-173.1178.8-88.886.6000112.8
6P64.3Low36.5Very low107 Ų107146.3 Ų146.370%0.69575%0.754SS**  cis-141.2-136.2-4743.2-23.7000113
7I36.9Very low36.1Very low160 Ų160146.9 Ų146.982%0.82176%0.759SS**  trans96.6122.6173.6-55.5165000113.1
8G33.9Very low36.1Very low64 Ų64145.1 Ų145.166%0.6676%0.761SS**  cis107.5126.87.400000111.7
9E37.5Very low36.4Very low186 Ų186144.4 Ų144.487%0.86977%0.767SS**  cis-142.2137.23.1-67.7172.7148.100106.1
10E37.8Very low36.3Very low172 Ų172141.6 Ų141.680%0.80476%0.764SS**  60.2138.878.4-69.6-113.895.500116.2
11T35.6Very low35.9Very low94 Ų94141.3 Ų141.358%0.57776%0.763SS**  cis-171.9130.5-23.1-107.70000110.6
12F32.9Very low35.6Very low183 Ų183138 Ų13880%0.80374%0.744SS**  trans54.1152.6154.3-72.3-116.8000120.7
13M31.7Very low35.4Very low142 Ų142140.4 Ų140.470%0.775%0.746SS**  cis116.7104.25.5-72-83.7-72.100115.5
14Y31.8Very low35.1Very low168 Ų168138 Ų13866%0.65974%0.744SS**  trans81.6152.7134.8-103.5-88.5000125.2
15Y30.7Very low34.7Very low198 Ų198135.9 Ų135.978%0.77675%0.747SS**  trans73.5150.5158.7-71.2-54.9000119.1
16A29.9Very low34.2Very low73 Ų73135.4 Ų135.460%0.60375%0.745SS**  cis-161.7160.6-0.200000115.2
17N30Very low32.6Very low157 Ų157139.2 Ų139.284%0.8476%0.756SS**  trans66.1145.8145.3-61.9-9.7000123.8
18S35.5Very low32.3Very low113 Ų113137.6 Ų137.679%0.7975%0.754SS**  trans-90.8169.8168.4-44.90000112.4
19P42.3Very low32.4Very low133 Ų133140.5 Ų140.586%0.86476%0.759SS**  -135.3-172.4105.439.4-29.5000113
20A34.1Very low31.8Very low87 Ų87137.9 Ų137.972%0.71975%0.751SS**  trans-117.5154.7-17900000111.9
21D28.4Very low31.9Very low137 Ų137136.1 Ų136.173%0.73375%0.752SS**  -179.2164.3124.2-108.4-44.6000112.7
22H30.8Very low31.4Very low161 Ų161133.5 Ų133.575%0.74574%0.744SS**  trans41120.1166.4-49-40.1000118.6
23H28.1Very low31.7Very low179 Ų179131.3 Ų131.383%0.82975%0.745SS**  -159.4147.855-129.3-81.9000112.4
24A29.7Very low31.5Very low73 Ų73134.5 Ų134.560%0.60375%0.751SS**  trans-97.4154.116300000110.8
25S29.6Very low31.3Very low120 Ų120135.1 Ų135.184%0.83976%0.76SS**  trans-153.2105.6161.7-82.10000108.2
26D27.1Very low31.3Very low136 Ų136130 Ų13073%0.72776%0.758SS**  trans-71.8149.2-164.5-55.8-86.4000115.3V28D26-V28 HydrophobicContact CB-CG2 4.45Å; D26-V28 PolarHBondContact O-N 3.44Å; D26-V28 VanDerWaalsContact O-N 3.14Å
27M30.8Very low31.1Very low187 Ų187134.9 Ų134.992%0.92177%0.773SS**  trans-7692.1159.2-71.1-171.4178.800109.2T29M27-T29 PolarHBondContact O-N 3.49Å; M27-T29 VanDerWaalsContact O-N 3.07Å
28V29.6Very low31.1Very low126 Ų126133 Ų13376%0.76477%0.773SS**  trans-71.5102.9175.9-178.80000110.3D26 D30D26-V28 HydrophobicContact CB-CG2 4.45Å; D26-V28 PolarHBondContact O-N 3.44Å; D26-V28 VanDerWaalsContact O-N 3.14Å; V28-D30 HydrophobicContact CG1-CB 4.29Å; V28-D30 PolarHBondContact O-N 2.96Å; V28-D30 VanDerWaalsContact O-N 3.15Å
29T36.2Very low30.7Very low125 Ų125133 Ų13377%0.76777%0.773SS**  trans-76.486.9163.453.10000109.4M27 T31M27-T29 PolarHBondContact O-N 3.49Å; M27-T29 VanDerWaalsContact O-N 3.07Å; T29-T31 PolarHBondContact O-N 3.1Å
30D25.1Very low30.2Very low131 Ų131132.3 Ų132.370%0.70177%0.768SS**  trans-7795.5178.5-171.214.8000111.8V28 G32V28-D30 HydrophobicContact CG1-CB 4.29Å; V28-D30 PolarHBondContact O-N 2.96Å; V28-D30 VanDerWaalsContact O-N 3.15Å; D30-G32 PolarHBondContact O-N 2.91Å; D30-G32 VanDerWaalsContact OD1-CA 3.27Å; D30-G32 WeakPolarHBondContact OD1-CA 3.34Å; D30-G32 PolarHBondContact OD1-N 3Å
31T40.2Very low29.7Very low135 Ų135137.9 Ų137.983%0.82878%0.777SS**  trans-7959.5162.651.10000110.5T29 V33T29-T31 PolarHBondContact O-N 3.1Å; T31-V33 PolarHBondContact O-N 3.2Å
32G25.4Very low29.7Very low40 Ų40136.9 Ų136.941%0.41278%0.78SS.*  trans-77.8101.2-174.700000113D30 Y34D30-G32 PolarHBondContact O-N 2.91Å; D30-G32 VanDerWaalsContact OD1-CA 3.27Å; D30-G32 WeakPolarHBondContact OD1-CA 3.34Å; D30-G32 PolarHBondContact OD1-N 3Å; G32-Y34 PolarHBondContact O-N 2.96Å
33V38.3Very low29.7Very low136 Ų136138.5 Ų138.582%0.82479%0.788SS**  trans-76.1110.7168.61770000109.1T31T31-V33 PolarHBondContact O-N 3.2Å
34Y28Very low29.9Very low210 Ų210137.5 Ų137.582%0.82479%0.789SS**  trans-119.5140.4170.9-89.6-83.8000112.8G32G32-Y34 PolarHBondContact O-N 2.96Å
35Q28.2Very low29.9Very low180 Ų180139.6 Ų139.684%0.84179%0.79SS**  trans-78.8149.2-166.9-67.8161.9-81.800112.6L37Q35-L37 PolarHBondContact O-N 3.28Å
36A29.2Very low30.4Very low91 Ų91142.5 Ų142.575%0.75280%0.795SS**  trans-69.4119.9171.200000110.9S38A36-S38 PolarHBondContact O-N 3Å
37L27.2Very low30.8Very low175 Ų175141.3 Ų141.392%0.91680%0.798SS**  trans-87.895.5159.5-70.1179.2000108.6Q35Q35-L37 PolarHBondContact O-N 3.28Å
38S29.3Very low30.8Very low119 Ų119138 Ų13883%0.83278%0.783SS**  trans-74.2127.6171.2-60.10000110.2A36A36-S38 PolarHBondContact O-N 3Å
39S26.6Very low30.9Very low112 Ų112137.5 Ų137.578%0.78379%0.786SS**  trans-136.7143.3167.2-156.40000108.2
40P31.6Very low30.6Very low119 Ų119136.9 Ų136.977%0.77379%0.786SS**  trans-83.7138.1-150.231.2-35.5000113.6
41F25Very low30.8Very low204 Ų204135.7 Ų135.790%0.89579%0.789SS**  trans-135.8149.5158-108.5-86.9000110.3
42S26.8Very low30.2Very low116 Ų116133.7 Ų133.781%0.81179%0.785SS**  trans-59.3137.1-169.1-320000113.2D44S42-D44 PolarHBondContact O-N 3.28Å
43E31.8Very low30.4Very low195 Ų195143.5 Ų143.591%0.91181%0.81SS**  trans-71.2116168.2-61-172.5106.600110.4
44D32Very low29.9Very low158 Ų158141.1 Ų141.185%0.84580%0.8SS**  trans-164.7145.9150.5-117-29.8000112.4S42S42-D44 PolarHBondContact O-N 3.28Å
45D29.4Very low29.7Very low117 Ų117137.5 Ų137.563%0.62680%0.804SS**  trans52.381.3175.8-86.1-23.1000118.5S47 K424D45-S47 PolarHBondContact O-N 3Å; D45-K424 IonicContact OD2-NZ 3.72Å; D45-K424 PolarHBondContact OD2-NZ 3.32Å
46L40.2Very low29.7Very low181 Ų181135 Ų13595%0.94881%0.806SS**  trans-62.1106.6162.7-70.1164.7000113
47S35.1Very low29.6Very low111 Ų111136.3 Ų136.378%0.77681%0.809SS**  trans-177.683.514447.70000115.3D45D45-S47 PolarHBondContact O-N 3Å
48D32Very low30.1Very low116 Ų116133.6 Ų133.662%0.6280%0.802SS**  trans-144.567.7163.8-143.2-22000112.9H431D48-H431 IonicContact OD1-NE2 3.03Å
49S31.3Very low30Very low116 Ų116137.4 Ų137.481%0.81181%0.807SS**  trans-145.562.3-177.952.70000113.1
50S29.9Very low30.1Very low112 Ų112137.7 Ų137.778%0.78381%0.809SS**  trans-151.980.6169.233.50000114.4
51S29Very low30Very low107 Ų107141.4 Ų141.475%0.74882%0.816SS**  trans-163.352.7154.8-118.80000113.3
52A28.4Very low30.4Very low92 Ų92138 Ų13876%0.7681%0.811SS**  trans-128.576.5174.700000111.1
53R29.5Very low30.5Very low246 Ų246140.5 Ų140.593%0.92882%0.815SS**  trans-143.382170.2-80.6-164.7174.3-160.4-1.6110.9
54S27Very low30.3Very low87 Ų87134.3 Ų134.361%0.60880%0.804SS**  trans-159.672.8162.3-81.80000109.5
55C24.6Very low30.1Very low134 Ų134132.7 Ų132.791%0.90581%0.805SS**  trans-125124.8157.9-67.80000106.4
56S28.2Very low30.1Very low127 Ų127132.4 Ų132.489%0.88881%0.811SS**  trans-106.6140.7177.4-57.60000108.8
57S26.9Very low29.5Very low118 Ų118134.3 Ų134.383%0.82581%0.808SS**  trans-145.6144.2158.1-143.40000108.4
58P38.6Very low29.2Very low118 Ų118132.5 Ų132.577%0.76681%0.807SS**  trans-88.4149.1-178.335.2-33.1000111.6
59E26Very low29Very low200 Ų200133 Ų13394%0.93582%0.819SS**  trans-156.2152140.5-122.9177169.500111
60S29.7Very low28.9Very low118 Ų118133.5 Ų133.583%0.82582%0.823SS**  trans-105.9115.6-167.7-62.40000111.6
61Q29.8Very low28.7Very low196 Ų196133.7 Ų133.792%0.91682%0.824SS**  trans-133.2151.4155.8-68.5-161.67.200111.2
62V32.7Very low28.6Very low132 Ų132133.8 Ų133.880%0.883%0.825SS**  trans-98170.4-170.7175.40000109.6
63L29.2Very low28.5Very low170 Ų170135.1 Ų135.189%0.8983%0.828SS**  trans77139.1-172.6-42.6171.5000112.2
64G26.5Very low28.3Very low65 Ų65127.2 Ų127.267%0.6782%0.824SS**  cis170.8160.4-5.800000110.9
65S27.3Very low28.5Very low124 Ų124132.6 Ų132.687%0.86784%0.839SS**  trans69.2123.7171.4-60.70000119.1
66S31.2Very low28.6Very low110 Ų110130.6 Ų130.677%0.76983%0.827SS**  trans-55.6146168.651.80000116.7
67Y27.4Very low28.8Very low221 Ų221132.2 Ų132.287%0.86782%0.82SS**  -152.1136.2127.726.9-103.5000110.5
68G27.2Very low29Very low74 Ų74133.6 Ų133.676%0.76382%0.818SS**  trans-99.2151167.100000110.2
69S28.5Very low28.5Very low126 Ų126131.6 Ų131.688%0.88182%0.819SS**  trans-139.8114.6169-69.70000109.6
70S28.4Very low28.6Very low127 Ų127129.4 Ų129.489%0.88881%0.813SS**  trans-93158.4174.443.30000111.4
71S26.4Very low28.7Very low116 Ų116131 Ų13181%0.81181%0.811SS**  trans-146141.4166.7520000108.6
72S26.8Very low28.9Very low108 Ų108127.8 Ų127.876%0.75580%0.801SS**  cis-160.3-171.6-10.958.80000109.7
73S27.2Very low28.6Very low120 Ų120129.3 Ų129.384%0.83980%0.797SS**  trans88.9102.5157.4-47.50000117.1
74G25.8Very low28.6Very low80 Ų80127 Ų12783%0.82579%0.785SS**  trans-153.4137157.800000107.1
75E30.1Very low28.8Very low200 Ų200130.6 Ų130.694%0.93579%0.788SS**  trans-99.4148.5-168.8-64160.59800111.9
76S27.6Very low28.9Very low93 Ų93130.5 Ų130.565%0.6579%0.788SS**  150.8132.5123-152.40000115.5
77Q31.9Very low29Very low160 Ų160132.8 Ų132.875%0.74879%0.786SS**  trans55.7128.8138.8-75.1174.1-45.500125.6
78D30.2Very low29.1Very low147 Ų147126.3 Ų126.379%0.78678%0.778SS**  trans76.3144.7131.6-54.1-14.7000123.3
79G29.1Very low29.2Very low76 Ų76128.4 Ų128.478%0.78478%0.776SS**  trans98.1104.9179.700000114.1
80L28.7Very low29.2Very low155 Ų155129.3 Ų129.381%0.81277%0.77SS**  cis90.7113.420.8-163.4141.2000115.5
81L31.9Very low29.3Very low150 Ų150133.7 Ų133.779%0.78577%0.767SS**  trans67.5145.9173-70.6175.3000116.8
82D32.4Very low29.6Very low130 Ų130140.1 Ų140.170%0.69577%0.774SS**  cis-164.2-176.6-12.4-165.311000110.8
83F26.8Very low29.6Very low163 Ų163138.2 Ų138.272%0.71577%0.771SS**  trans109.588137.1-132.9-102.3000121.3
84L29.5Very low29.7Very low122 Ų122139.4 Ų139.464%0.63977%0.773SS**  trans54.4110.2132.4-57-166.7000123.1
85L30.4Very low29.8Very low141 Ų141141.5 Ų141.574%0.73877%0.77SS**  46.3119.2106.5-17174.7000120.5Q87L85-Q87 HydrophobicContact CD1-CG 4.28Å
86S28.8Very low30.4Very low122 Ų122137.6 Ų137.685%0.85376%0.762SS**  trans-150.7166133.8-162.60000111.3
87Q33.2Very low30.3Very low158 Ų158138.4 Ų138.474%0.73877%0.768SS**  trans-128-179.4-170.3-59.9-173.73200113.4L85L85-Q87 HydrophobicContact CD1-CG 4.28Å
88A29.6Very low30.1Very low84 Ų84139.1 Ų139.169%0.69478%0.776SS**  trans86.3148.2144.900000118.7
89T30.3Very low30Very low119 Ų119136.8 Ų136.873%0.7377%0.771SS**  cis-168-178.4-2232.50000109.9
90L28.7Very low30.7Very low144 Ų144138.4 Ų138.475%0.75477%0.768SS**  trans81.3146.5162.6-48.4178000115.9
91R29.7Very low30.5Very low220 Ų220136.4 Ų136.483%0.8377%0.767SS**  cis-155.6145.5-15.6-101.8171.1-175.5-142.15.1105.3
92R33Very low30.4Very low250 Ų250135.9 Ų135.994%0.94377%0.77SS**  cis101.211034.8-162.5-170.8-154.2-161.89.5113.6
93G26.7Very low30.7Very low68 Ų68135.3 Ų135.370%0.70177%0.773SS**  trans125.9151.2166.100000114.5
94V28.7Very low31.6Very low145 Ų145133.2 Ų133.288%0.87978%0.775SS**  cis-152.1159.2-7.5-174.90000108.7
95T28.6Very low31.6Very low124 Ų124134.8 Ų134.876%0.76178%0.783SS**  trans-104.8165.3176.960.40000112.3
96P42.3Very low31.5Very low119 Ų119135.9 Ų135.977%0.77379%0.789SS**  -132.7155.977.81213000113
97S26.9Very low32.5Very low109 Ų109135.2 Ų135.276%0.76278%0.782SS**  70.2104.559.3-174.40000115.9
98L27Very low32.2Very low175 Ų175136.7 Ų136.792%0.91679%0.79SS**  trans-172.4150.8133-102.4166.1000112.5
99S28.6Very low32.1Very low99 Ų99135.8 Ų135.869%0.69279%0.789SS**  trans-138.3175.8169.3730000106.9
100P42.3Very low32.1Very low110 Ų110137.9 Ų137.971%0.71480%0.795SS**  cis-152.8-15640.343.6-19.9000116
101S24.7Very low32.1Very low112 Ų112135 Ų13578%0.78379%0.793SS**  trans97.8136.9149.476.30000120.7
102V30.6Very low31.8Very low140 Ų140135.1 Ų135.185%0.84879%0.793SS**  trans-156.5121.8-178.7173.60000106.7
103P39.3Very low31.5Very low117 Ų117131 Ų13176%0.7678%0.784SS**  -153.2-161.4106.845.3-27.4000111.4
104P44.2Very low31.5Very low119 Ų119132.5 Ų132.577%0.77378%0.784SS**  cis-130.1-176.9-10.740.7-23.8000115.3
105I31.1Very low31.5Very low156 Ų156134.3 Ų134.380%0.878%0.78SS**  trans-111.3153.6165.3-60.4164.7000107.9
106L27.2Very low31.4Very low164 Ų164138.8 Ų138.886%0.85978%0.783SS**  trans164165.5140-85.3172.5000111.7
107P49.7Very low30.7Very low108 Ų108139.8 Ų139.870%0.70178%0.782SS**  trans-124.7176.4-134.745.1-36000116.9
108M27.8Very low30.8Very low188 Ų188145.5 Ų145.593%0.92679%0.787SS**  trans-159.1150.8154.5-112.5171.3-79.100110.6
109G27.1Very low30.8Very low65 Ų65145.6 Ų145.667%0.6779%0.787SS**  cis1478-10.500000118.4
110L30.3Very low30.6Very low164 Ų164146.3 Ų146.386%0.85979%0.793SS**  trans-138.8135.2175.5-64.2173.4000108.6
111A27.4Very low30Very low84 Ų84147 Ų14769%0.69480%0.797SS**  cis97151.233.900000113.5
112W24.7Very low30.1Very low222 Ų222147.9 Ų147.984%0.84180%0.798SS**  trans73.7147.1-172.9125.9-69.4000116.5
113E25.6Very low29.9Very low162 Ų162147.2 Ų147.276%0.75779%0.794SS**  cis-164.8161.1-38.3-129.1176.4135.200110.7
114S27.9Very low29.4Very low100 Ų100150.7 Ų150.770%0.69980%0.797SS**  trans-69131.6176.3139.50000111.8
115K28.4Very low28.8Very low184 Ų184153.8 Ų153.880%0.880%0.802SS**  trans-126115.9151.9-126.9175-173.9178.10112.3
116R27.2Very low28.6Very low217 Ų217155.3 Ų155.382%0.81981%0.805SS**  trans-101.697.5180174.7-157.5-64.4152.9-2.5108
117D26Very low28.5Very low140 Ų140153.1 Ų153.175%0.74980%0.802SS**  trans-99.7141.1171.2-83.5-60.4000111.6
118R30.5Very low27.2Very low230 Ų230157.5 Ų157.587%0.86881%0.811SS**  trans-96117-173.9-65.6173.4175-1246.5110.3
119L26.5Very low27Very low176 Ų176156.9 Ų156.992%0.92181%0.805SS**  trans-137.9112.1154.1-77-180000110.2
120S24.7Very low26.9Very low115 Ų115162.8 Ų162.880%0.80481%0.813SS**  trans-113.4124170.754.10000109.5
121P29.2Very low26.9Very low125 Ų125160.3 Ų160.381%0.81281%0.807SS**  trans-103.2138.7150.333.6-27.2000110.4
122T27.2Very low26.8Very low130 Ų130165.2 Ų165.280%0.79882%0.815SS**  trans-78136175.848.80000112.1
123T26.5Very low27Very low125 Ų125164.1 Ų164.177%0.76782%0.817SS**  trans-178134.3130.726.50000111.1
124K27.9Very low27.3Very low190 Ų190161.8 Ų161.883%0.82682%0.816SS**  trans48.6104.3155.7-55.7178.3-179.4-175.80115.7
125E32.5Very low27.6Very low185 Ų185161.7 Ų161.786%0.86482%0.821SS**  43.873.155.6-64.2-160.7-177.900114.1
126E26.8Very low27.8Very low188 Ų188159.9 Ų159.988%0.87982%0.82SS**  trans-127.6111.6134.6-73.7-170.212600107.5F128E126-F128 PolarHBondContact O-N 3.42Å
127C23.7Very low28.3Very low117 Ų117154.9 Ų154.979%0.79181%0.809SS**  trans-80.8103.5178.8-66.90000109.8E129C127-E129 PolarHBondContact O-N 2.6Å
128F23Very low28.8Very low201 Ų201155.1 Ų155.188%0.88281%0.81SS**  trans-79.195.3162.7-123-87.1000108.6E126 F130E126-F128 PolarHBondContact O-N 3.42Å; F128-F130 PolarHBondContact O-N 3.48Å
129E24.3Very low29Very low174 Ų174151.9 Ų151.981%0.81381%0.81SS**  trans-61126.7174.1-70.7179.4126.100109.9C127C127-E129 PolarHBondContact O-N 2.6Å
130F25.5Very low29.3Very low189 Ų189149 Ų14983%0.82979%0.792SS**  trans-66.2130.1161.2-86.7-107.2000107.6F128 E132F128-F130 PolarHBondContact O-N 3.48Å; F130-E132 PolarHBondContact O-N 3.25Å; F130-E132 VanDerWaalsContact O-N 3.1Å
131P29.1Very low30.1Very low113 Ų113150.7 Ų150.773%0.73479%0.79SS**  trans-63.9115.7167.226.8-32.1000108.3F133P131-F133 PolarHBondContact O-N 2.89Å
132E26.7Very low30.2Very low186 Ų186148 Ų14887%0.86979%0.786SS**  trans-60.1135.7178-61.5-17213000110.3F130 P134F130-E132 PolarHBondContact O-N 3.25Å; F130-E132 VanDerWaalsContact O-N 3.1Å; E132-P134 VanDerWaalsContact O-CD 3.3Å; E132-P134 WeakPolarHBondContact O-CD 3.28Å
133F28.8Very low30.6Very low200 Ų200147.7 Ų147.788%0.87778%0.778SS**  trans-72.9121.5176-81.3-94.6000110.1P131 A135P131-F133 PolarHBondContact O-N 2.89Å; F133-A135 PolarHBondContact O-N 3.49Å; F133-A135 VanDerWaalsContact O-N 3.12Å
134P31Very low31Very low112 Ų112147.1 Ų147.173%0.72777%0.77SS**  trans-67.8111.6170.8-17.132.2000109.5E132 D136E132-P134 VanDerWaalsContact O-CD 3.3Å; E132-P134 WeakPolarHBondContact O-CD 3.28Å; P134-D136 PolarHBondContact O-N 3.09Å
135A33.7Very low31.9Very low98 Ų98143 Ų14381%0.8175%0.752SS**SBendtrans-82.944.8179.800000112.9F133F133-A135 PolarHBondContact O-N 3.49Å; F133-A135 VanDerWaalsContact O-N 3.12Å
136D33.5Very low32.2Very low146 Ų146141.3 Ų141.378%0.78174%0.744SS**  trans-159.4113.6170.5-100.7-42.4000109.5P134P134-D136 PolarHBondContact O-N 3.09Å
137L36.6Very low32.8Very low113 Ų113135.7 Ų135.759%0.59272%0.724SS**  trans-157.237.1179-152.774.5000115.6D139 H140L137-D139 VanDerWaalsContact C-N 3.33Å; L137-H140 HydrophobicContact CD1-CB 3.86Å; L137-H140 HydrophobicContact CG-CB 4.07Å
138D36.4Very low33.9Very low145 Ų145133.4 Ų133.478%0.77571%0.706SS**THydrogen-bonded Turntrans-74.2-21.8170.5-87.9-59.4000112.9
139D35.8Very low34.8Very low161 Ų161130 Ų13086%0.86170%0.697SS**THydrogen-bonded Turntrans-927.2-174.8-85.2-36.5000116L137L137-D139 VanDerWaalsContact C-N 3.33Å
140H33.3Very low36.2Very low115 Ų115127.4 Ų127.453%0.53269%0.685SS.*  trans-117.136.9-179.5-85.813.8000114.8L137 G142L137-H140 HydrophobicContact CD1-CB 3.86Å; L137-H140 HydrophobicContact CG-CB 4.07Å; H140-G142 PolarHBondContact O-N 2.87Å; H140-G142 VanDerWaalsContact O-N 3.11Å
141I39.9Very low37.2Very low152 Ų152120.2 Ų120.278%0.77965%0.654SS**THydrogen-bonded Turntrans-57.5-23.1173-63.7174.2000112.8
142G32Very low37.8Very low69 Ų69118.2 Ų118.271%0.71164%0.636SS**THydrogen-bonded Turntrans-84.7-21-17000000118.5H140H140-G142 PolarHBondContact O-N 2.87Å; H140-G142 VanDerWaalsContact O-N 3.11Å
143L35.7Very low38.9Very low122 Ų122115.1 Ų115.164%0.63962%0.621SS**THydrogen-bonded Turntrans-114.4-10.2-161.6-67.9177.9000116.9F145L143-F145 VanDerWaalsContact C-N 3.33Å; L143-F145 PolarHBondContact O-N 2.99Å
144L34Very low40.2Very low113 Ų113108.2 Ų108.259%0.59259%0.592SS**SBendtrans-886.9179.8-65.7177.4000114.7R408L144-R408 PolarHBondContact O-NH2 3.21Å
145F47.4Very low40.7Very low103 Ų103108.8 Ų108.845%0.45258%0.583SS.*  trans-129.162179.3-74.3-86.5000112.1L143 P147L143-F145 VanDerWaalsContact C-N 3.33Å; L143-F145 PolarHBondContact O-N 2.99Å; F145-P147 WeakPolarHBondContact O-CD 3.34Å
146Q39.3Very low41.3Very low151 Ų151108.8 Ų108.871%0.70657%0.569SS**PPolyproline II helixtrans-66119.1151.8-65.9-75.6-50.400107.7
147P38.8Very low42.3Very low69 Ų69106.5 Ų106.545%0.44855%0.554SS.*PPolyproline II helixtrans-70149.216630.2-32.5000109.6F145 E151 I152F145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-E151 WeakPolarHBondContact CA-OE2 3.46Å; P147-E151 HydrophobicContact CB-CB 4.01Å; P147-I152 HydrophobicContact CB-CG1 4.16Å; P147-I152 HydrophobicContact CG-CD1 4.09Å; P147-I152 HydrophobicContact CG-CG1 3.8Å
148T46.9Very low42.9Very low69 Ų69104.9 Ų104.942%0.42354%0.543SS..PPolyproline II helixtrans-69.7161.5172.770.50000110.8E150 E151 I152T148-E150 PolarHBondContact O-N 3.3Å; T148-E150 PolarHBondContact OG1-N 3.3Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 PolarHBondContact O-N 3.18Å; T148-E151 WeakPolarHBondContact OG1-CG 3.44Å; T148-E151 PolarHBondContact OG1-N 2.76Å; T148-E151 VanDerWaalsContact OG1-N 3.15Å; T148-I152 WeakPolarHBondContact O-CG1 3.48Å; T148-I152 PolarHBondContact O-N 3.18Å
149L43.2Very low43.2Very low131 Ų131102.4 Ų102.469%0.68653%0.53SS*.Hα-helixtrans-55.9-37.9172.4-74.9168.5000111.5E151 I152 E153L149-E151 PolarHBondContact O-N 2.98Å; L149-I152 HydrophobicContact CD2-CD1 4.49Å; L149-I152 PolarHBondContact O-N 2.91Å; L149-E153 WeakPolarHBondContact O-CB 3.21Å; L149-E153 VanDerWaalsContact O-CG 3.31Å; L149-E153 WeakPolarHBondContact O-CG 3.37Å; L149-E153 PolarHBondContact O-N 3.01Å
150E52.5Low43.5Very low118 Ų118101.7 Ų101.755%0.55152%0.523SS*.Hα-helixtrans-62.6-37174.3-54176.7157.700112.9T148 E154T148-E150 PolarHBondContact O-N 3.3Å; T148-E150 PolarHBondContact OG1-N 3.3Å; E150-E154 WeakPolarHBondContact O-CB 3.31Å; E150-E154 PolarHBondContact O-N 2.87Å
151E46.1Very low44Very low39 Ų39101.1 Ų101.118%0.18252%0.521CS..Hα-helixtrans-72.9-31.6175.1-71.7177.5140.200111.9P147 T148 L149 F155P147-E151 WeakPolarHBondContact CA-OE2 3.46Å; P147-E151 HydrophobicContact CB-CB 4.01Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 PolarHBondContact O-N 3.18Å; T148-E151 WeakPolarHBondContact OG1-CG 3.44Å; T148-E151 PolarHBondContact OG1-N 2.76Å; T148-E151 VanDerWaalsContact OG1-N 3.15Å; L149-E151 PolarHBondContact O-N 2.98Å; E151-F155 WeakPolarHBondContact O-CB 3.21Å; E151-F155 PolarHBondContact O-N 3.23Å; E151-F155 VanDerWaalsContact O-N 3.16Å
152I42.8Very low43.7Very low70 Ų7099.8 Ų99.836%0.35952%0.519SS..Hα-helixtrans-70.5-42.5172-63.6167.6000110.2P147 T148 L149 F155 L156P147-I152 HydrophobicContact CB-CG1 4.16Å; P147-I152 HydrophobicContact CG-CD1 4.09Å; P147-I152 HydrophobicContact CG-CG1 3.8Å; T148-I152 WeakPolarHBondContact O-CG1 3.48Å; T148-I152 PolarHBondContact O-N 3.18Å; L149-I152 HydrophobicContact CD2-CD1 4.49Å; L149-I152 PolarHBondContact O-N 2.91Å; I152-F155 PolarHBondContact O-N 3.08Å; I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.36Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.19Å
153E49.3Very low43.6Very low121 Ų121103 Ų10357%0.56553%0.525SS*.Hα-helixtrans-65.2-44.8176.6-74.6169.9-173.500111.7L149 F155 L156 E157L149-E153 WeakPolarHBondContact O-CB 3.21Å; L149-E153 VanDerWaalsContact O-CG 3.31Å; L149-E153 WeakPolarHBondContact O-CG 3.37Å; L149-E153 PolarHBondContact O-N 3.01Å; E153-F155 VanDerWaalsContact C-N 3.25Å; E153-F155 PolarHBondContact O-N 3.45Å; E153-L156 PolarHBondContact O-N 3.21Å; E153-E157 WeakPolarHBondContact O-CB 3.23Å; E153-E157 PolarHBondContact O-N 3.36Å
154E56.4Low43.5Very low55 Ų55101.2 Ų101.226%0.25753%0.527SS..Hα-helixtrans-59.3-36.6173.4-174.9167.7-125.200111.4E150 E158 S401E150-E154 WeakPolarHBondContact O-CB 3.31Å; E150-E154 PolarHBondContact O-N 2.87Å; E154-E158 WeakPolarHBondContact O-CB 3.35Å; E154-E158 PolarHBondContact O-N 3.39Å; E154-E158 VanDerWaalsContact O-N 3.08Å; E154-S401 PolarHBondContact OE2-OG 3.34Å
155F41.7Very low43.4Very low125 Ų125103.9 Ų103.955%0.54854%0.542SS..Hα-helixtrans-73.3-35.1175.1-176.2-100.7000113.5E151 I152 E153 E158 N159E151-F155 WeakPolarHBondContact O-CB 3.21Å; E151-F155 PolarHBondContact O-N 3.23Å; E151-F155 VanDerWaalsContact O-N 3.16Å; I152-F155 PolarHBondContact O-N 3.08Å; E153-F155 VanDerWaalsContact C-N 3.25Å; E153-F155 PolarHBondContact O-N 3.45Å; F155-E158 PolarHBondContact O-N 3.03Å; F155-N159 PolarHBondContact O-N 2.91Å; F155-N159 PolarHBondContact O-ND2 3.33Å
156L46.5Very low42.6Very low97 Ų97106.2 Ų106.251%0.50855%0.552SS.*Hα-helixtrans-73.3-41.3175.7-71.2170.9000111.6I152 E153 E158 N159 M160I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.36Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.19Å; E153-L156 PolarHBondContact O-N 3.21Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 2.88Å; L156-N159 PolarHBondContact O-N 3.09Å; L156-M160 WeakPolarHBondContact O-CB 3.44Å; L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.29Å; L156-M160 VanDerWaalsContact O-N 3.11Å
157E54.2Low42.1Very low99 Ų99107 Ų10746%0.46356%0.561SS.*Hα-helixtrans-53.1-46.3167.7-76.8-170.3163.300110E153 N159 K375E153-E157 WeakPolarHBondContact O-CB 3.23Å; E153-E157 PolarHBondContact O-N 3.36Å; E157-N159 VanDerWaalsContact C-N 3.29Å; E157-N159 PolarHBondContact O-N 3.36Å; E157-K375 IonicContact OE1-NZ 3.69Å; E157-K375 PolarHBondContact OE1-NZ 3.2Å; E157-K375 IonicContact OE2-NZ 3.77Å; E157-K375 PolarHBondContact OE2-NZ 3.43Å
158E49.2Very low42.2Very low79 Ų79110.7 Ų110.737%0.36957%0.572SS.*Hα-helixtrans-62.3-28.3-178173153.3-12500114.5E154 F155 L156 K370E154-E158 WeakPolarHBondContact O-CB 3.35Å; E154-E158 PolarHBondContact O-N 3.39Å; E154-E158 VanDerWaalsContact O-N 3.08Å; F155-E158 PolarHBondContact O-N 3.03Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 2.88Å; E158-K370 VanDerWaalsContact CG-NZ 3.33Å; E158-K370 IonicContact OE1-NZ 2.87Å; E158-K370 PolarHBondContact OE1-NZ 2.92Å
159N42Very low41.3Very low92 Ų92111.9 Ų111.949%0.49259%0.589SS.*Hα-helixtrans-99.4-21.1-176.5-73.7-84000114.1F155 L156 E157F155-N159 PolarHBondContact O-N 2.91Å; F155-N159 PolarHBondContact O-ND2 3.33Å; L156-N159 PolarHBondContact O-N 3.09Å; E157-N159 VanDerWaalsContact C-N 3.29Å; E157-N159 PolarHBondContact O-N 3.36Å
160M43.2Very low40.5Very low146 Ų146111.6 Ų111.672%0.71960%0.596SS**Hα-helixtrans-88.3-21.4-174.7-71.3-66-69.100115.1L156 V162L156-M160 WeakPolarHBondContact O-CB 3.44Å; L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.29Å; L156-M160 VanDerWaalsContact O-N 3.11Å; M160-V162 PolarHBondContact O-N 2.71Å
161E42.8Very low39.6Very low104 Ų104116 Ų11649%0.48662%0.617SS.*G310 helixtrans-61.6-9.6-179.8-91.2-17015900114.8S371E161-S371 VanDerWaalsContact CD-OG 3.26Å; E161-S371 VanDerWaalsContact OE1-CB 3.32Å; E161-S371 WeakPolarHBondContact OE1-CB 3.41Å; E161-S371 PolarHBondContact OE1-OG 3.33Å; E161-S371 PolarHBondContact OE2-OG 3.35Å
162V33.1Very low38.8Very low123 Ų123118 Ų11875%0.74565%0.648SS**G310 helixtrans-81.1-18.4-171-177.70000114M160M160-V162 PolarHBondContact O-N 2.71Å
163V30.8Very low38Very low137 Ų137118.4 Ų118.483%0.8367%0.669SS**G310 helixtrans-115.644.1-171.6-159.40000112.6
164A32.5Very low36.9Very low84 Ų84120.7 Ų120.769%0.69468%0.682SS**  trans-124.847.9-178.600000113.3K166A164-K166 PolarHBondContact O-N 3.5Å
165L31.9Very low35.5Very low170 Ų170126.5 Ų126.589%0.8971%0.714SS**  trans-73.1125165.1-76.3177.5000109.7
166K31.1Very low34.9Very low152 Ų152127.3 Ų127.366%0.66172%0.724SS**  trans-91.8116-166.3-166-179.7-177-151.50111.5A164 E168A164-K166 PolarHBondContact O-N 3.5Å; K166-E168 HydrophobicContact CD-CG 4.45Å; K166-E168 WeakPolarHBondContact CE-OE1 3.45Å; K166-E168 VanDerWaalsContact CE-OE2 3.24Å; K166-E168 WeakPolarHBondContact CE-OE2 3.49Å; K166-E168 HydrophobicContact CG-CG 4.34Å; K166-E168 IonicContact NZ-OE1 2.77Å; K166-E168 PolarHBondContact NZ-OE1 3.36Å; K166-E168 IonicContact NZ-OE2 2.63Å; K166-E168 PolarHBondContact NZ-OE2 3.32Å; K166-E168 PolarHBondContact O-N 3.39Å
167N30Very low34.1Very low167 Ų167129.5 Ų129.589%0.89374%0.741SS**  trans-78.193.5174.4-72.9-20.6000110.8
168E39Very low32.8Very low147 Ų147131.7 Ų131.769%0.68776%0.756SS**  trans-128.787.3169.4-80.6179.5159.200110.7K166K166-E168 HydrophobicContact CD-CG 4.45Å; K166-E168 WeakPolarHBondContact CE-OE1 3.45Å; K166-E168 VanDerWaalsContact CE-OE2 3.24Å; K166-E168 WeakPolarHBondContact CE-OE2 3.49Å; K166-E168 HydrophobicContact CG-CG 4.34Å; K166-E168 IonicContact NZ-OE1 2.77Å; K166-E168 PolarHBondContact NZ-OE1 3.36Å; K166-E168 IonicContact NZ-OE2 2.63Å; K166-E168 PolarHBondContact NZ-OE2 3.32Å; K166-E168 PolarHBondContact O-N 3.39Å
169A28.5Very low31.8Very low94 Ų94132.7 Ų132.778%0.77777%0.772SS**  trans-168.2137.416800000109.2
170C27.7Very low31.1Very low125 Ų125136.1 Ų136.185%0.84579%0.785SS**  cis-150.7146.8-16.9-86.10000107.3
171E33.2Very low30.3Very low211 Ų211135 Ų13599%0.98679%0.786SS**  trans-83.3134160.7-71.6-170.5118.100110
172G27.9Very low29.6Very low80 Ų80137 Ų13783%0.82581%0.805SS**  trans149.8122167.100000116.4
173G26.3Very low29.2Very low79 Ų79134.2 Ų134.281%0.81480%0.802SS**  trans89.761.1142.400000119.9
174M27Very low28.9Very low169 Ų169133.8 Ų133.883%0.83381%0.805SS**  23.2119128.1-177.2-176.7-174.100119.7
175L27.1Very low28.7Very low177 Ų177136.2 Ų136.293%0.92781%0.811SS**  trans-153139.1141.9-87.2-169.7000111.4
176D29.7Very low29.1Very low142 Ų142133.9 Ų133.976%0.75981%0.806SS**  trans-97.1142.4-178.9-97.2-66000113.6
177V29.7Very low28.9Very low143 Ų143130 Ų13087%0.86781%0.809SS**  trans-142.765.3164.5-162.80000113.6
178N26.4Very low28.7Very low144 Ų144130.1 Ų130.177%0.7781%0.809SS**  trans39.7107.4134.7-167.15.9000122.4
179S27.2Very low28.1Very low101 Ų101127.3 Ų127.371%0.70681%0.811SS**  trans-170.4148143.1-103.40000109.8
180Q28.5Very low28.1Very low163 Ų163131.2 Ų131.276%0.76281%0.813SS**  cis-157.6133.84.3-156.9166.592.600112.6
181V26.6Very low28.1Very low124 Ų124129.1 Ų129.175%0.75280%0.799SS**  trans24.6100.5148.3-170.60000120.4
182T26.7Very low27.8Very low144 Ų144124.6 Ų124.688%0.88378%0.782SS**  157.7147.2122.841.10000109.6
183G25.3Very low27.9Very low66 Ų66128.6 Ų128.668%0.6878%0.779SS**  cis-179.2176.2-4.800000110.9
184S25.5Very low27.9Very low127 Ų127131.8 Ų131.889%0.88878%0.783SS**  trans76.5150.2177.8-57.80000118.6
185V28.1Very low28Very low136 Ų136130 Ų13082%0.82478%0.781SS**  trans-162173.4-166.2-90.10000108.7
186P40.6Very low28.7Very low120 Ų120127.3 Ų127.378%0.77977%0.774SS**  cis-135-172.7-41.739.5-23000112.6
187G26.1Very low28.6Very low71 Ų71126.8 Ų126.873%0.73278%0.776SS**  trans173.3112.4156.300000111.6
188L25.8Very low28.5Very low170 Ų170124.8 Ų124.889%0.8977%0.774SS**  81.878.357.3-77.2173000115.9
189A27.2Very low28.5Very low88 Ų88121.5 Ų121.573%0.72778%0.775SS**  trans-168.8139.1140.500000106.8
190H28.2Very low28.4Very low176 Ų176120.9 Ų120.982%0.81578%0.776SS**  60.2134.451.4-84.7-79.3000115.2
191S27.3Very low28.4Very low80 Ų80119.8 Ų119.856%0.55978%0.78SS**  cis-165.9175.6-34.548.30000108
192D26.5Very low28.3Very low116 Ų116120.3 Ų120.362%0.6278%0.779SS**  trans70.6116.5162.5-57.5-64.2000117.4
193Q29.3Very low28.4Very low165 Ų165119.7 Ų119.777%0.77177%0.77SS**  67.9109.175.5-69.1-171.993.600115.2
194T26.6Very low28.4Very low146 Ų146121.9 Ų121.990%0.89677%0.77SS**  176.7162.8116300000112.5
195V30.5Very low28.4Very low130 Ų130122.7 Ų122.779%0.78877%0.77SS**  trans-138.9136.7178.11720000108.5
196P41.1Very low28.3Very low121 Ų121124.8 Ų124.879%0.78677%0.77SS**  -149.8118.5129.932.6-13.1000116.8
197V27.3Very low27.6Very low131 Ų131124.6 Ų124.679%0.79477%0.767SS**  39.6133.8119.1-178.70000122.4
198A28.2Very low27.5Very low101 Ų101129.4 Ų129.484%0.83577%0.768SS**  trans69.4148.7163.800000117.6
199G25Very low27.5Very low76 Ų76128.6 Ų128.678%0.78476%0.759SS**  cis-179.5-173.5-1.300000108.8
200A25.8Very low27.4Very low88 Ų88130.2 Ų130.273%0.72776%0.76SS**  cis-169.7-172.2-10.500000108.9
201T28.6Very low27.8Very low139 Ų139127.2 Ų127.285%0.85376%0.756SS**  trans63.9160167.655.90000119.5
202D24.8Very low27.6Very low135 Ų135129.9 Ų129.972%0.72277%0.77SS**  cis-164.2166.3-39.2-153.1-0.6000112
203L27.9Very low27.7Very low132 Ų132129.5 Ų129.569%0.69178%0.776SS**  trans34.9115.3155.9-76.8163.5000125.3
204T25.6Very low28.1Very low111 Ų111127 Ų12768%0.68177%0.774SS**  41.4137.2129.659.80000125.3
205T26.3Very low28.1Very low145 Ų145127 Ų12789%0.8977%0.767SS**  174171.3112.931.40000114.3
206E26.1Very low27.9Very low180 Ų180126.8 Ų126.884%0.84177%0.766SS**  trans-83.3176.4-175.8-49.9-177.281.300114.3
207T25.1Very low27.1Very low115 Ų115127.5 Ų127.571%0.70676%0.763SS**  176.1146.275-39.60000112.7
208K24.4Very low27.2Very low173 Ų173125.5 Ų125.575%0.75276%0.755SS**  trans60.3156.3152.9-93.4165.8162.6-167.60119.4
209H26.3Very low27.2Very low153 Ų153127.5 Ų127.571%0.70875%0.752SS**  cis-155.8165.128-126.3-72.5000112.3
210T23.7Very low27.2Very low122 Ų122129.7 Ų129.775%0.74875%0.75SS**  trans-92.1163.7170.7540000112.7
211P36.6Very low27Very low113 Ų113130.7 Ų130.773%0.73475%0.75SS**  -158.1151.494.439.7-19.4000120.1
212T24.5Very low26.9Very low136 Ų136129.9 Ų129.983%0.83475%0.75SS**  trans64.5137.8136-540000124.2
213S28.5Very low26.9Very low107 Ų107127.3 Ų127.375%0.74876%0.756SS**  trans-114.9167167.1-40.70000112
214P37.8Very low26.8Very low113 Ų113128.7 Ų128.773%0.73476%0.762SS**  -152.4136.8125.334.8-16.4000118.8
215I25.2Very low26.8Very low145 Ų145131.6 Ų131.674%0.74477%0.765SS**  45.6146.9128.3-34.2177000122.1
216T26.6Very low26.7Very low127 Ų127130.7 Ų130.778%0.77975%0.751SS**  trans96.1148.9161.267.70000118.7
217D25.1Very low26.7Very low135 Ų135129.5 Ų129.572%0.72275%0.745SS**  cis-171145.8-44.9-115.1-49.3000111.8
218S28.5Very low26.7Very low90 Ų90131.1 Ų131.163%0.62975%0.75SS**  trans69.5156.9152.976.30000123.5
219N27.8Very low26.9Very low143 Ų143128.4 Ų128.477%0.76575%0.753SS**  trans79.9147.3164.7-53.3-47.6000119.8
220V25.2Very low26.9Very low122 Ų122126.4 Ų126.474%0.73976%0.762SS**  cis160.8142.4-43.3155.70000109.7
221C23.2Very low27Very low109 Ų109124.6 Ų124.674%0.73677%0.768SS**  trans74.1109.5164.7-83.20000122.5
222S25.8Very low26.5Very low122 Ų122126 Ų12685%0.85378%0.775SS**  59124.1111-50.90000122.4
223G24.4Very low27.2Very low81 Ų81125.2 Ų125.284%0.83577%0.772SS**  trans-172.489.2169.500000116
224I26.2Very low27Very low160 Ų160124.3 Ų124.382%0.82177%0.771SS**  trans-58.2160.9-177.3-19.7176.2000115.9
225K25.3Very low26.4Very low173 Ų173124.6 Ų124.675%0.75278%0.775SS**  trans83.4150.6156.1-71.7-168.5173.9-145.90119.3
226Q25.1Very low26.6Very low126 Ų126124.3 Ų124.359%0.58978%0.78SS**  cis-165.6155.4-23.3-131.1176.9-76.400109.5
227E25.8Very low26.7Very low155 Ų155127.2 Ų127.272%0.72479%0.785SS**  trans70.6118.9154.3-58179.1175.800122.6
228D25.5Very low26.8Very low149 Ų149124.4 Ų124.480%0.79779%0.788SS**  trans27.2124.7140.8-51.6-19.4000120.7
229S27Very low26.8Very low116 Ų116126.2 Ų126.281%0.81180%0.801SS**  176.416169.543.30000113.5
230A27Very low26.7Very low110 Ų110122.3 Ų122.391%0.90979%0.794SS**  trans48.5113160.100000121.1
231G25.3Very low27Very low85 Ų85123.7 Ų123.788%0.87680%0.802SS**  trans175.7106.7163.200000117.2
232T25.6Very low27.2Very low143 Ų143123.3 Ų123.388%0.87780%0.801SS**  trans-83.6171.915319.40000109.8
233P39.3Very low27.3Very low119 Ų119122.9 Ų122.977%0.77380%0.795SS**  cis-140.5-156.416.844-23.6000115.5
234A25.1Very low27.4Very low88 Ų88125.4 Ų125.473%0.72779%0.794SS**  trans75122.8170.500000116.4
235S25.7Very low27.4Very low118 Ų118124.7 Ų124.783%0.82579%0.791SS**  cis81.8101.814.4-46.60000118.2
236V29Very low27.4Very low140 Ų140123.6 Ų123.685%0.84879%0.792SS**  trans-14295.7148.8-179.50000104.7
237E28.3Very low27.3Very low187 Ų187125.4 Ų125.487%0.87480%0.801SS**  65.8110.498.9-72.7-73.485.800114.3
238G28.1Very low27.3Very low76 Ų76125.5 Ų125.578%0.78481%0.805SS**  trans-179.862.5-172.800000113.5G240G238-G240 PolarHBondContact O-N 2.72Å
239S27.4Very low27.3Very low129 Ų129125.8 Ų125.890%0.90280%0.801SS**  trans-17.2112-174.2-160.20000118.1
240G27.1Very low27.2Very low61 Ų61125.2 Ų125.263%0.62980%0.795SS**  trans-126.9139166.900000110.9G238 S242G238-G240 PolarHBondContact O-N 2.72Å; G240-S242 PolarHBondContact O-N 3.18Å
241V30.4Very low27.2Very low150 Ų150127.4 Ų127.491%0.90979%0.789SS**  trans-85.796.3-176.2-172.60000110.4
242S27.6Very low27.2Very low102 Ų102131.3 Ų131.371%0.71379%0.785SS**  trans-69.4143177-64.70000112.8G240G240-S242 PolarHBondContact O-N 3.18Å
243P28.2Very low27.2Very low112 Ų112131.4 Ų131.473%0.72778%0.779SS**  trans-69.7138.4174.229.4-34.5000111.6I245P243-I245 PolarHBondContact O-N 3.39Å
244V27Very low26.5Very low134 Ų134133.9 Ų133.981%0.81278%0.777SS**  trans-74.6107.7176178.60000109.8L246V244-L246 PolarHBondContact O-N 3.15Å
245I25.5Very low26.7Very low146 Ų146138.2 Ų138.275%0.74978%0.782SS**  trans-76114.9173.8-60.1175.8000109.1P243 Q247P243-I245 PolarHBondContact O-N 3.39Å; I245-Q247 PolarHBondContact O-N 3.09Å; I245-Q247 VanDerWaalsContact O-N 3.08Å
246L24.8Very low26.8Very low149 Ų149139.9 Ų139.978%0.7878%0.777SS**  trans-73.494.7171.4-70.8172.5000110.4V244 I248V244-L246 PolarHBondContact O-N 3.15Å; L246-I248 PolarHBondContact O-N 3.38Å
247Q23.4Very low26.9Very low165 Ų165139 Ų13977%0.77178%0.775SS**  trans-69.8108.3165.7-82.4-159.6-19.400110.5I245I245-Q247 PolarHBondContact O-N 3.09Å; I245-Q247 VanDerWaalsContact O-N 3.08Å
248I26.7Very low27Very low157 Ų157138.1 Ų138.181%0.80577%0.774SS**  trans-92.9110.3168-56.5175.1000107.9L246L246-I248 PolarHBondContact O-N 3.38Å
249Q24.9Very low27Very low154 Ų154140.4 Ų140.472%0.7278%0.775SS**  trans-92.7136.1167.3-66.5-160.120.200110.7I251Q249-I251 PolarHBondContact O-N 2.81Å
250P24.2Very low27.4Very low104 Ų104138.1 Ų138.168%0.67577%0.772SS**  trans-75.4120.3179.929.6-33.6000111.5Q252P250-Q252 PolarHBondContact O-N 3.35Å
251I27.6Very low27.5Very low156 Ų156140.1 Ų140.180%0.878%0.782SS**  trans-70.9114.2175.7-59175.2000109.5Q249 I253Q249-I251 PolarHBondContact O-N 2.81Å; I251-I253 HydrophobicContact CG2-CG1 4.41Å; I251-I253 PolarHBondContact O-N 3.31Å
252Q24.5Very low27.5Very low167 Ų167140.7 Ų140.778%0.7878%0.779SS**  trans-80.8104.3176.6-67.2-64.9-2000110.8P250 K254P250-Q252 PolarHBondContact O-N 3.35Å; Q252-K254 PolarHBondContact O-N 2.87Å
253I26.5Very low27.7Very low146 Ų146141.5 Ų141.575%0.74978%0.781SS**  trans-84.998.4176.3-58.4175.1000109.2I251 Q255I251-I253 HydrophobicContact CG2-CG1 4.41Å; I251-I253 PolarHBondContact O-N 3.31Å; I253-Q255 PolarHBondContact O-N 3.17Å
254K24.9Very low27.7Very low171 Ų171142.7 Ų142.774%0.74379%0.787SS**  trans-73.4118.5172.6-168.4-171.5-179.4-153.80109.7Q252 E256Q252-K254 PolarHBondContact O-N 2.87Å; K254-E256 IonicContact NZ-OE1 3.3Å
255Q29.6Very low28.1Very low178 Ų178141.8 Ų141.883%0.83278%0.784SS**  trans-85.9137.3170.6-67-176.8-29.800110.1I253I253-Q255 PolarHBondContact O-N 3.17Å
256E28.1Very low28.1Very low154 Ų154141.1 Ų141.172%0.7279%0.786SS**  trans-105.6142.4165.4-61.9-150.7138.400110.3K254K254-E256 IonicContact NZ-OE1 3.3Å
257P30.2Very low28.1Very low122 Ų122139.6 Ų139.679%0.79279%0.788SS**PPolyproline II helixtrans-82.9139.9-174.232.6-34.7000112.6
258I29.5Very low28.4Very low168 Ų168140.2 Ų140.286%0.86279%0.791SS**PPolyproline II helixtrans-83.7123.1167.8-56.4174.5000108.4
259P29.8Very low28.4Very low123 Ų123141.9 Ų141.980%0.79980%0.795SS**PPolyproline II helixtrans-86.7137.1179.832.9-33.1000112.3
260G33.9Very low28.5Very low82 Ų82140 Ų14085%0.84580%0.796SS**  trans131.870.316100000117.4
261A29.3Very low28.5Very low102 Ų102141.6 Ų141.684%0.84381%0.805SS**  trans-146.9140.2158.500000110.2
262I30.8Very low28.4Very low163 Ų163142.5 Ų142.584%0.83681%0.805SS**  trans-97.9136.5-174.9-60.6171.7000109.4
263P32.5Very low28.4Very low118 Ų118140.7 Ų140.777%0.76681%0.808SS**  trans-83140.6-179.432.7-34.9000113.3
264T28.2Very low28.2Very low137 Ų137139.5 Ų139.584%0.8481%0.808SS**  trans-134.4150.3155.844.70000109.8
265P35.9Very low28.5Very low115 Ų115136.3 Ų136.375%0.74781%0.807SS**  trans-115.3174.7-158.242-33.1000115.9
266V25.4Very low28.3Very low133 Ų133134.8 Ų134.881%0.80680%0.804SS**  trans76.2106.9164.7-170.90000117.4
267S24.7Very low28.4Very low117 Ų117134.2 Ų134.282%0.81881%0.805SS**  -166.4170.999.4-159.60000111.7
268Q30Very low28.3Very low178 Ų178137.8 Ų137.883%0.83281%0.808SS**  trans-115.5130.8-170.4-61.7172.2-14.400112.6
269Q25.8Very low28.4Very low191 Ų191133.9 Ų133.989%0.89379%0.788SS**  -178.3161.4127.2-105-167-120.900111.3
270P27.6Very low28.5Very low115 Ų115132 Ų13275%0.74778%0.782SS**  trans-85.9142.8-164.832.8-35.8000114.6
271T23.9Very low28.7Very low138 Ų138134.2 Ų134.285%0.84777%0.771SS**  trans-117.1158.4156.947.80000109.6
272Q25.7Very low28.9Very low174 Ų174135.1 Ų135.181%0.81376%0.761SS**  trans-71.4150.4-165.4-66.5-175.9-23.300113.7T274Q272-T274 PolarHBondContact O-N 3.4Å
273P23.3Very low29.1Very low130 Ų130132.4 Ų132.484%0.84475%0.747SS**  trans-729517230.5-34.3000110.9S275P273-S275 PolarHBondContact O-N 2.95Å
274T24.3Very low29.3Very low120 Ų120129.5 Ų129.574%0.73673%0.728SS**  trans-67.9114.6160.847.20000109Q272 D276Q272-T274 PolarHBondContact O-N 3.4Å; T274-D276 PolarHBondContact O-N 3.19Å
275S29.8Very low29.4Very low104 Ų104128 Ų12873%0.72771%0.714SS**  trans-78.7106.4177.640.50000111.2P273 I277P273-S275 PolarHBondContact O-N 2.95Å; S275-I277 PolarHBondContact O-N 2.99Å
276D26.5Very low29.4Very low146 Ų146127.2 Ų127.278%0.78170%0.703SS**  trans-66.290.9176.4-76.2-39.6000111.9T274 K278T274-D276 PolarHBondContact O-N 3.19Å; D276-K278 PolarHBondContact O-N 2.9Å
277I29.7Very low29.6Very low142 Ų142130.5 Ų130.573%0.72871%0.709SS**  trans-70.797.5171.2-58.3177.7000108.6S275 I279S275-I277 PolarHBondContact O-N 2.99Å; I277-I279 HydrophobicContact CG2-CG1 4.39Å; I277-I279 PolarHBondContact O-N 2.8Å
278K26.9Very low30.2Very low197 Ų197128 Ų12886%0.85770%0.702SS**  trans-66.794.2171.1-68.5179.8-1791750110D276 A280D276-K278 PolarHBondContact O-N 2.9Å; K278-A280 PolarHBondContact O-N 3.38Å
279I31.7Very low30.3Very low87 Ų87125.5 Ų125.545%0.44669%0.691SS.*  trans-68111.6176.2-59.6175.8000109.2I277 Q281 P295I277-I279 HydrophobicContact CG2-CG1 4.39Å; I277-I279 PolarHBondContact O-N 2.8Å; I279-Q281 PolarHBondContact O-N 3.22Å; I279-P295 HydrophobicContact CG2-CG 3.87Å
280A32.9Very low30.7Very low82 Ų82119.6 Ų119.668%0.67867%0.668SS**PPolyproline II helixtrans-69.5126.417000000110.1K278 L282K278-A280 PolarHBondContact O-N 3.38Å; A280-L282 PolarHBondContact O-N 2.87Å
281Q37Very low31Very low130 Ų130116.7 Ų116.761%0.60764%0.643SS**PPolyproline II helixtrans-78.6118.7173.7-69.5178.7-11.600109.5I279I279-Q281 PolarHBondContact O-N 3.22Å
282L34.8Very low31.6Very low121 Ų121111.2 Ų111.263%0.63461%0.612SS**EExtended strand (participates in β ladder)trans-80.2125.5165.1-83.7100.9000109.7A280 L293A280-L282 PolarHBondContact O-N 2.87Å; L282-L293 HydrophobicContact CB-CD1 4.38Å; L282-L293 PolarHBondContact O-N 3.48Å
283L35.7Very low32.1Very low105 Ų105105.8 Ų105.855%0.5559%0.589SS.*EExtended strand (participates in β ladder)trans-98.8121.7168.7-69.1163.2000107.8T290 F291 A292 I318L283-T290 HydrophobicContact CB-CG2 3.92Å; L283-T290 HydrophobicContact CD2-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 4.35Å; L283-F291 WeakPolarHBondContact CA-O 3.16Å; L283-A292 HydrophobicContact CD2-CB 3.83Å; L283-I318 HydrophobicContact CD2-CD1 4.37Å
284V35.3Very low32.7Very low58 Ų58103.4 Ų103.435%0.35257%0.572SS.*EExtended strand (participates in β ladder)trans-112.5124.6177-174.10000108.3I286 F291 L293V284-I286 HydrophobicContact CG1-CD1 4.27Å; V284-I286 HydrophobicContact CG1-CG1 3.97Å; V284-F291 PolarHBondContact N-O 3Å; V284-F291 PolarHBondContact O-N 3.21Å; V284-L293 HydrophobicContact CG2-CD1 3.82Å; V284-L293 HydrophobicContact CG2-CG 4.45Å
285N31Very low33.4Very low104 Ų104100.6 Ų100.656%0.55656%0.555SS**EExtended strand (participates in β ladder)trans-94.6123.1175.3-174.4-15.4000109.4G288 Q289N285-G288 VanDerWaalsContact OD1-CA 3.26Å; N285-G288 WeakPolarHBondContact OD1-CA 3.25Å; N285-G288 PolarHBondContact OD1-N 3.02Å; N285-G288 VanDerWaalsContact OD1-N 3.13Å; N285-Q289 WeakPolarHBondContact CA-O 3.31Å; N285-Q289 PolarHBondContact OD1-N 3.05Å; N285-Q289 PolarHBondContact OD1-O 3.07Å
286I35.2Very low33.4Very low99 Ų99103 Ų10351%0.50856%0.555SS.*EExtended strand (participates in β ladder)trans-129.9123.6175.6-51.8179.9000107.3V284 G288 Q289 F291V284-I286 HydrophobicContact CG1-CD1 4.27Å; V284-I286 HydrophobicContact CG1-CG1 3.97Å; I286-G288 PolarHBondContact O-N 3.09Å; I286-G288 VanDerWaalsContact O-N 3.12Å; I286-Q289 PolarHBondContact N-O 3.09Å; I286-Q289 PolarHBondContact O-N 3.12Å; I286-F291 HydrophobicContact CB-CD2 4.48Å; I286-F291 HydrophobicContact CB-CE2 4.19Å
287Q30Very low33.7Very low202 Ų202103.1 Ų103.194%0.94456%0.555SS**THydrogen-bonded Turntrans51.633.2179.7-64.8178.3-13.600114.4Q289Q287-Q289 VanDerWaalsContact C-N 3.35Å
288G36.9Very low33.7Very low65 Ų65104.9 Ų104.967%0.6756%0.562SS**THydrogen-bonded Turntrans84.81.4178.900000114.9N285 I286N285-G288 VanDerWaalsContact OD1-CA 3.26Å; N285-G288 WeakPolarHBondContact OD1-CA 3.25Å; N285-G288 PolarHBondContact OD1-N 3.02Å; N285-G288 VanDerWaalsContact OD1-N 3.13Å; I286-G288 PolarHBondContact O-N 3.09Å; I286-G288 VanDerWaalsContact O-N 3.12Å
289Q31.8Very low33.8Very low126 Ų126100.6 Ų100.659%0.58956%0.557SS**EExtended strand (participates in β ladder)trans-104.7131.7171.3-66.4-169.31.500111N285 I286 Q287 F291N285-Q289 WeakPolarHBondContact CA-O 3.31Å; N285-Q289 PolarHBondContact OD1-N 3.05Å; N285-Q289 PolarHBondContact OD1-O 3.07Å; I286-Q289 PolarHBondContact N-O 3.09Å; I286-Q289 PolarHBondContact O-N 3.12Å; Q287-Q289 VanDerWaalsContact C-N 3.35Å; Q289-F291 HydrophobicContact CB-CE2 3.66Å; Q289-F291 HydrophobicContact CB-CZ 3.72Å; Q289-F291 VanDerWaalsContact O-CD2 3.32Å; Q289-F291 WeakPolarHBondContact O-CD2 3.42Å; Q289-F291 VanDerWaalsContact O-CE2 3.3Å; Q289-F291 WeakPolarHBondContact O-CE2 3.47Å
290T33.9Very low33.9Very low67 Ų67102.5 Ų102.541%0.41158%0.575SS.*EExtended strand (participates in β ladder)trans-95.2119-179.7-50.50000110.6L283 I318L283-T290 HydrophobicContact CB-CG2 3.92Å; L283-T290 HydrophobicContact CD2-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 4.35Å; T290-I318 WeakPolarHBondContact O-CD1 3.3Å
291F35.7Very low33.8Very low53 Ų53102.4 Ų102.423%0.23257%0.574CS.*EExtended strand (participates in β ladder)trans-106.5130.6179.3-59-85.2000110.6L283 V284 I286 Q289L283-F291 WeakPolarHBondContact CA-O 3.16Å; V284-F291 PolarHBondContact N-O 3Å; V284-F291 PolarHBondContact O-N 3.21Å; I286-F291 HydrophobicContact CB-CD2 4.48Å; I286-F291 HydrophobicContact CB-CE2 4.19Å; Q289-F291 HydrophobicContact CB-CE2 3.66Å; Q289-F291 HydrophobicContact CB-CZ 3.72Å; Q289-F291 VanDerWaalsContact O-CD2 3.32Å; Q289-F291 WeakPolarHBondContact O-CD2 3.42Å; Q289-F291 VanDerWaalsContact O-CE2 3.3Å; Q289-F291 WeakPolarHBondContact O-CE2 3.47Å
292A34.8Very low33.7Very low24 Ų24103 Ų10320%0.19858%0.581CS.*EExtended strand (participates in β ladder)trans-92.1120.117600000111.2L283 V294 I318L283-A292 HydrophobicContact CD2-CB 3.83Å; A292-V294 PolarHBondContact O-N 3.18Å; A292-I318 HydrophobicContact CB-CD1 4.09Å
293L37.8Very low33.6Very low60 Ų60104.7 Ų104.731%0.31459%0.59SS.*EExtended strand (participates in β ladder)trans-87.7106.6174.4-63.9176.6000110L282 V284 I313L282-L293 HydrophobicContact CB-CD1 4.38Å; L282-L293 PolarHBondContact O-N 3.48Å; V284-L293 HydrophobicContact CG2-CD1 3.82Å; V284-L293 HydrophobicContact CG2-CG 4.45Å; L293-I313 HydrophobicContact CD2-CD1 4.23Å; L293-I313 HydrophobicContact CD2-CG1 4.41Å; L293-I313 HydrophobicContact CD2-CG2 3.55Å
294V35.6Very low33.3Very low80 Ų80105.5 Ų105.549%0.48560%0.595SS.*  trans-107.1113.5176.6-177.50000110A292 Q296A292-V294 PolarHBondContact O-N 3.18Å; V294-Q296 PolarHBondContact O-N 3.28Å
295P37.7Very low33.5Very low60 Ų60105.5 Ų105.539%0.3961%0.607SS.*  trans-68.8110.1175-19.332.9000111.7I279 L297I279-P295 HydrophobicContact CG2-CG 3.87Å; P295-L297 PolarHBondContact O-N 3.19Å
296Q31.2Very low33.7Very low156 Ų156107.9 Ų107.973%0.72963%0.625SS**  trans-80.6109.7172.4-72.3-711.500110.5V294V294-Q296 PolarHBondContact O-N 3.28Å
297L33.2Very low33.3Very low148 Ų148107.9 Ų107.978%0.77563%0.634SS**PPolyproline II helixtrans-82.5119.9172.1-72.6170.3000109.9P295P295-L297 PolarHBondContact O-N 3.19Å
298M27.8Very low33.3Very low179 Ų179102.4 Ų102.488%0.88262%0.618SS**PPolyproline II helixtrans-90.8135.4172.4-55.2-142.48000110.6
299S28.9Very low33.1Very low107 Ų107108.9 Ų108.975%0.74863%0.628SS**PPolyproline II helixtrans-62.7142.7-174.5-58.80000113.5A301S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 3.48Å
300P35.5Very low32.9Very low126 Ų126110.9 Ų110.982%0.81864%0.635SS**SBendtrans-81.371.2-17234.2-37.3000112.6
301A30.6Very low32.6Very low80 Ų80112.7 Ų112.766%0.66165%0.646SS**SBendtrans-117.91.9-174.500000116.1S299S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 3.48Å
302N33.7Very low32.4Very low142 Ų142121.3 Ų121.376%0.75968%0.677SS**  trans-169.591.6157.7-118.6-80.5000111.8
303L34.1Very low32.1Very low158 Ų158125.6 Ų125.683%0.82770%0.695SS**  trans-129.867.7175.1-72177.5000111.8G305L303-G305 PolarHBondContact O-N 3.2Å; L303-G305 VanDerWaalsContact O-N 3.09Å
304N28.6Very low31.7Very low121 Ų121126 Ų12665%0.64771%0.708SS**  trans-7193.8165.8-93.5-62.6000110.6R440N304-R440 PolarHBondContact OD1-NH2 2.81Å
305G38.8Very low31.7Very low58 Ų58127 Ų12760%0.59872%0.715SS**SBendtrans68.1128.6154.500000118.5L303L303-G305 PolarHBondContact O-N 3.2Å; L303-G305 VanDerWaalsContact O-N 3.09Å
306T36.3Very low31.4Very low154 Ų154128.8 Ų128.895%0.94573%0.725SS**  trans52.975.1164.450.70000116.3
307S26.9Very low31.6Very low99 Ų99126 Ų12669%0.69272%0.721SS**  trans-139145.7152.7-172.50000109.7
308S30.7Very low31.7Very low88 Ų88123.9 Ų123.962%0.61571%0.709SS**  trans-72.7146.1174.6-157.70000110F310S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 VanDerWaalsContact O-CD2 3.25Å; S308-F310 WeakPolarHBondContact O-CD2 3.44Å; S308-F310 PolarHBondContact O-N 2.89Å
309K31.7Very low32.1Very low200 Ų200119.6 Ų119.687%0.8770%0.702SS**  trans-74.481.3178.1-69.5-176.3-179.4178.80110.3V311K309-V311 PolarHBondContact O-N 3.23Å; K309-V311 VanDerWaalsContact O-N 3.07Å
310F27.1Very low32.3Very low169 Ų169119.1 Ų119.174%0.74170%0.704SS**  trans-70.1100.5174.1-69-78000110.9S308 R312S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 VanDerWaalsContact O-CD2 3.25Å; S308-F310 WeakPolarHBondContact O-CD2 3.44Å; S308-F310 PolarHBondContact O-N 2.89Å; F310-R312 PolarHBondContact O-N 2.92Å; F310-R312 VanDerWaalsContact O-N 3.17Å
311V29.1Very low32.1Very low105 Ų105122.6 Ų122.664%0.63671%0.707SS**  trans-67110.2167.4-1790000108.2K309 I313K309-V311 PolarHBondContact O-N 3.23Å; K309-V311 VanDerWaalsContact O-N 3.07Å; V311-I313 HydrophobicContact CG1-CG1 4.13Å; V311-I313 PolarHBondContact O-N 3.47Å; V311-I313 VanDerWaalsContact O-N 3.09Å
312R29.6Very low32.3Very low233 Ų233124.5 Ų124.588%0.87971%0.712SS**  trans-75.993.8169.8-80.2-171.5170-171-2.6109.5F310 A314F310-R312 PolarHBondContact O-N 2.92Å; F310-R312 VanDerWaalsContact O-N 3.17Å; R312-A314 PolarHBondContact O-N 3.49Å
313I29.6Very low32.2Very low115 Ų115125.9 Ų125.959%0.5972%0.719SS**  trans-71.4107.2166.1-59.8174.5000107.6L293 V311L293-I313 HydrophobicContact CD2-CD1 4.23Å; L293-I313 HydrophobicContact CD2-CG1 4.41Å; L293-I313 HydrophobicContact CD2-CG2 3.55Å; V311-I313 HydrophobicContact CG1-CG1 4.13Å; V311-I313 PolarHBondContact O-N 3.47Å; V311-I313 VanDerWaalsContact O-N 3.09Å
314A29.5Very low32.1Very low69 Ų69121.6 Ų121.657%0.5771%0.712SS**  trans-95.9122.8165.200000108.1R312 V316R312-A314 PolarHBondContact O-N 3.49Å; A314-V316 PolarHBondContact O-N 3.47Å
315P34.3Very low32.6Very low100 Ų100122.3 Ų122.365%0.64972%0.724SS**  trans-69.6102.1173.328.3-32.4000108.9P317P315-P317 VanDerWaalsContact O-CD 3.3Å; P315-P317 WeakPolarHBondContact O-CD 3.3Å
316V32.5Very low32.4Very low97 Ų97123.2 Ų123.259%0.58873%0.733SS**  trans-85.6110.8169-178.60000107.1A314 I318A314-V316 PolarHBondContact O-N 3.47Å; V316-I318 PolarHBondContact O-N 2.86Å
317P35.4Very low32.4Very low99 Ų99125.5 Ų125.564%0.64373%0.733SS**  trans-64.3125.5171.427.3-32.7000108.4P315 A319P315-P317 VanDerWaalsContact O-CD 3.3Å; P315-P317 WeakPolarHBondContact O-CD 3.3Å; P317-A319 PolarHBondContact O-N 3.01Å
318I35.1Very low32.6Very low102 Ų102124.7 Ų124.752%0.52374%0.74SS.*  trans-71.396.4175.8-54.7178.8000107.2L283 T290 A292 V316 A320L283-I318 HydrophobicContact CD2-CD1 4.37Å; T290-I318 WeakPolarHBondContact O-CD1 3.3Å; A292-I318 HydrophobicContact CB-CD1 4.09Å; V316-I318 PolarHBondContact O-N 2.86Å; I318-A320 PolarHBondContact O-N 2.77Å; I318-A320 VanDerWaalsContact O-N 3.11Å
319A36.1Very low32.6Very low90 Ų90124.3 Ų124.374%0.74475%0.75SS**PPolyproline II helixtrans-59.5116.5178.900000109.9P317 K321P317-A319 PolarHBondContact O-N 3.01Å; A319-K321 PolarHBondContact O-N 3.28Å
320A32.9Very low32.5Very low96 Ų96123.4 Ų123.479%0.79375%0.754SS**PPolyproline II helixtrans-57.8124.8172.500000108.9I318I318-A320 PolarHBondContact O-N 2.77Å; I318-A320 VanDerWaalsContact O-N 3.11Å
321K31.1Very low32.7Very low199 Ų199120.1 Ų120.187%0.86576%0.758SS**PPolyproline II helixtrans-65.7125.9-175.6-132.2169.5-174.9174.50108.9A319 L323A319-K321 PolarHBondContact O-N 3.28Å; K321-L323 PolarHBondContact O-N 3Å
322P34.6Very low32.9Very low120 Ų120119.2 Ų119.278%0.77977%0.77SS**PPolyproline II helixtrans-63.1139.3172.627.1-33.4000109.3
323L32.3Very low32.9Very low172 Ų172111.7 Ų111.790%0.90177%0.765SS**PPolyproline II helixtrans-69.2165.4167.2-77164.2000110.2K321K321-L323 PolarHBondContact O-N 3Å
324G32.6Very low33Very low67 Ų67115.4 Ų115.469%0.69178%0.78SS**PPolyproline II helixtrans-63.6172.6-163.900000116.7
325P39.3Very low33.4Very low136 Ų136117.3 Ų117.388%0.88380%0.796SS**PPolyproline II helixtrans-71.9137.5-169.329.7-35.7000113.2
326G33.4Very low33.2Very low77 Ų77116.9 Ų116.979%0.79480%0.801SS**  trans-120.2126157.200000108.5
327E36.7Very low33.4Very low203 Ų203115.8 Ų115.895%0.94981%0.809SS**  trans-83.7140-177-59.2-176.3123.700111.6
328G31.6Very low33.2Very low81 Ų81118.4 Ų118.484%0.83582%0.816SS**  trans158.2135.4165.300000116.1
329G29.9Very low33.2Very low80 Ų80121.8 Ų121.883%0.82583%0.834SS**  trans97.994.9149.100000117.7
330L30.3Very low33.2Very low181 Ų181123.2 Ų123.295%0.94883%0.833SS**  trans-51.2135.1154-68.2148.5000112.2
331A30.3Very low33.1Very low101 Ų101121.4 Ų121.484%0.83582%0.824SS**  170.2152.2129.800000111.5
332G34.1Very low33.3Very low86 Ų86115.7 Ų115.789%0.88782%0.821SS**  trans-83.5142.917400000112.7
333G29.9Very low33.4Very low75 Ų75117.2 Ų117.277%0.77382%0.818SS**  trans-149135.7178.100000111.5
334Q30.4Very low33.3Very low192 Ų192118.4 Ų118.490%0.89782%0.816SS**  trans-47.6150.2-170.7-66.3148.8-46.900115.9A336Q334-A336 VanDerWaalsContact C-N 3.35Å; Q334-A336 PolarHBondContact O-N 3.18Å
335A38.7Very low33.3Very low110 Ų110123.5 Ų123.591%0.90982%0.819SS**  trans-67.189.1167.100000111G337A335-G337 PolarHBondContact O-N 3.47Å
336A31.1Very low33.5Very low91 Ų91124.9 Ų124.975%0.75281%0.814SS**  trans-70.5106.317000000109.6Q334 I338Q334-A336 VanDerWaalsContact C-N 3.35Å; Q334-A336 PolarHBondContact O-N 3.18Å; A336-I338 PolarHBondContact O-N 2.84Å
337G35.3Very low33.8Very low74 Ų74130.9 Ų130.976%0.76382%0.818SS**  trans-70.1109.2-177.900000112.3A335 L339A335-G337 PolarHBondContact O-N 3.47Å; G337-L339 PolarHBondContact O-N 2.88Å; G337-L339 VanDerWaalsContact O-N 3.09Å
338I31Very low34Very low154 Ų154125.2 Ų125.279%0.7980%0.801SS**  trans-76.695.6165.8-53.2-178.7000108A336 V340A336-I338 PolarHBondContact O-N 2.84Å; I338-V340 HydrophobicContact CG2-CG2 3.77Å; I338-V340 PolarHBondContact O-N 3Å
339L36.5Very low34.7Very low173 Ų173124.1 Ų124.191%0.90678%0.781SS**  trans-69.175.8166-94.7163.7000109.8G337 G341G337-L339 PolarHBondContact O-N 2.88Å; G337-L339 VanDerWaalsContact O-N 3.09Å; L339-G341 PolarHBondContact O-N 3.43Å; L339-G341 VanDerWaalsContact O-N 3.15Å
340V36Very low35.6Very low120 Ų120125.5 Ų125.573%0.72777%0.773SS**  trans-61.2116.7161.3-176.80000106.5I338 G342I338-V340 HydrophobicContact CG2-CG2 3.77Å; I338-V340 PolarHBondContact O-N 3Å; V340-G342 PolarHBondContact O-N 2.94Å
341G30.1Very low36.6Very low57 Ų57119.9 Ų119.959%0.58875%0.752SS**  trans-52.7133.4-17100000111.9L339 Q343L339-G341 PolarHBondContact O-N 3.43Å; L339-G341 VanDerWaalsContact O-N 3.15Å; G341-Q343 PolarHBondContact O-N 3.47Å
342G35.6Very low37.4Very low79 Ų79120.9 Ų120.981%0.81474%0.744SS**  trans-68.670.8-173.800000113.8V340 K344V340-G342 PolarHBondContact O-N 2.94Å; G342-K344 VanDerWaalsContact C-N 3.32Å; G342-K344 PolarHBondContact O-N 3.35Å
343Q35.7Very low38.6Very low153 Ų153123.4 Ų123.472%0.71574%0.736SS**  trans-61.498.3162.5-68.7-166.825.900107.7G341 F345G341-Q343 PolarHBondContact O-N 3.47Å; Q343-F345 HydrophobicContact CB-CD2 4.45Å; Q343-F345 HydrophobicContact CB-CE2 4.21Å; Q343-F345 WeakPolarHBondContact O-CD2 3.29Å; Q343-F345 PolarHBondContact O-N 3.06Å
344K30.7Very low40.5Very low196 Ų196123.3 Ų123.385%0.85272%0.717SS**  trans-6589.8164.8-68.7178.9-178.3175.60107G342 Q346G342-K344 VanDerWaalsContact C-N 3.32Å; G342-K344 PolarHBondContact O-N 3.35Å; K344-Q346 VanDerWaalsContact C-N 3.27Å; K344-Q346 PolarHBondContact O-N 3.49Å
345F33.5Very low42.7Very low175 Ų175121.9 Ų121.977%0.76871%0.708SS**  trans-55.8100.7160.5-75.5-87000106.9Q343 K347Q343-F345 HydrophobicContact CB-CD2 4.45Å; Q343-F345 HydrophobicContact CB-CE2 4.21Å; Q343-F345 WeakPolarHBondContact O-CD2 3.29Å; Q343-F345 PolarHBondContact O-N 3.06Å; F345-K347 PolarHBondContact O-N 3.11Å
346Q42.4Very low44.9Very low165 Ų165120.8 Ų120.877%0.77169%0.685SS**  trans-50.7134.7161.2-73.3-71.84.700106.4K344 S348K344-Q346 VanDerWaalsContact C-N 3.27Å; K344-Q346 PolarHBondContact O-N 3.49Å; Q346-S348 PolarHBondContact O-N 3.24Å
347K39.2Very low47.6Very low202 Ų202118.6 Ų118.688%0.87866%0.659SS**  trans-71.580.7168-67.5179.3-177.5175.70106.8F345 S349F345-K347 PolarHBondContact O-N 3.11Å; K347-S349 PolarHBondContact O-N 3.36Å
348S41.6Very low50.1Low85 Ų85121.7 Ų121.759%0.59465%0.652SS**  trans-52.4117.1163.441.40000106.4Q346Q346-S348 PolarHBondContact O-N 3.24Å
349S47.5Very low53Low58 Ų58114.5 Ų114.541%0.40662%0.615SS.*  trans-65.2144.3178.5-172.70000107.4K347 A351 D352K347-S349 PolarHBondContact O-N 3.36Å; S349-A351 PolarHBondContact O-N 3.38Å; S349-A351 VanDerWaalsContact O-N 3.1Å; S349-A351 WeakPolarHBondContact OG-CB 3.45Å; S349-A351 PolarHBondContact OG-N 2.84Å; S349-D352 VanDerWaalsContact CB-OD2 3.29Å; S349-D352 WeakPolarHBondContact CB-OD2 3.46Å; S349-D352 PolarHBondContact N-OD2 3.49Å; S349-D352 WeakPolarHBondContact O-CB 3.5Å; S349-D352 PolarHBondContact O-N 2.95Å
350V47Very low55.5Low109 Ų109112.1 Ų112.166%0.66161%0.608SS**Hα-helixtrans-57.8-25.1167.8-178.70000109.9D352 L353 I354V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 2.96Å; V350-L353 PolarHBondContact O-N 3.11Å; V350-I354 HydrophobicContact CG1-CD1 4.13Å; V350-I354 VanDerWaalsContact O-CG1 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.41Å; V350-I354 PolarHBondContact O-N 3.43Å
351A51.9Low58Low62 Ų62110.9 Ų110.951%0.51259%0.593SS.*Hα-helixtrans-63.7-30.6171.400000114.2S349 L353 I354S349-A351 PolarHBondContact O-N 3.38Å; S349-A351 VanDerWaalsContact O-N 3.1Å; S349-A351 WeakPolarHBondContact OG-CB 3.45Å; S349-A351 PolarHBondContact OG-N 2.84Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 3.09Å; A351-I354 PolarHBondContact O-N 2.86Å
352D48.5Very low60.8Low122 Ų122113.2 Ų113.265%0.65260%0.598SS**Hα-helixtrans-74.8-20.9-177.5-52.4-31.2000111.8S349 V350S349-D352 VanDerWaalsContact CB-OD2 3.29Å; S349-D352 WeakPolarHBondContact CB-OD2 3.46Å; S349-D352 PolarHBondContact N-OD2 3.49Å; S349-D352 WeakPolarHBondContact O-CB 3.5Å; S349-D352 PolarHBondContact O-N 2.95Å; V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 2.96Å
353L57.3Low63.2Low140 Ų140113.9 Ų113.973%0.73360%0.604SS**Hα-helixtrans-93-18176.9-69.3169.7000113.4V350 A351 K355V350-L353 PolarHBondContact O-N 3.11Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 3.09Å; L353-K355 PolarHBondContact O-N 3.29Å
354I70.3Confident65.8Low73 Ų73107.4 Ų107.437%0.37458%0.576SS.*SBendtrans-88.2104.7178.6-56.3161.5000109.1V350 A351 M356 T369V350-I354 HydrophobicContact CG1-CD1 4.13Å; V350-I354 VanDerWaalsContact O-CG1 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.41Å; V350-I354 PolarHBondContact O-N 3.43Å; A351-I354 PolarHBondContact O-N 2.86Å; I354-M356 HydrophobicContact CB-CE 3.89Å; I354-M356 HydrophobicContact CG2-CE 3.46Å; I354-M356 VanDerWaalsContact CG2-CE 3.46Å; I354-M356 WeakPolarHBondContact O-CE 3.5Å; I354-M356 PolarHBondContact O-N 2.98Å; I354-M356 VanDerWaalsContact O-N 3.13Å; I354-T369 HydrophobicContact CG2-CG2 4.27Å
355K77.1Confident68.6Low162 Ų162102.4 Ų102.470%0.70457%0.571SS**  trans-56.5113.8175.4-174.6178.7-178.9179.50111.5L353 H357L353-K355 PolarHBondContact O-N 3.29Å; K355-H357 PolarHBondContact O-CD2 3.35Å
356M85.1Confident71.3Confident87 Ų8799.1 Ų99.143%0.42956%0.556SS.*  trans-80.1124.5176-68.8-62107.200112I354 K358 T369I354-M356 HydrophobicContact CB-CE 3.89Å; I354-M356 HydrophobicContact CG2-CE 3.46Å; I354-M356 VanDerWaalsContact CG2-CE 3.46Å; I354-M356 WeakPolarHBondContact O-CE 3.5Å; I354-M356 PolarHBondContact O-N 2.98Å; I354-M356 VanDerWaalsContact O-N 3.13Å; M356-K358 PolarHBondContact O-N 3.39Å; M356-T369 HydrophobicContact CE-CG2 3.93Å
357H86.6Confident73.5Confident45 Ų4596.8 Ų96.821%0.20855%0.547CS..EExtended strand (participates in β ladder)trans-90.597.5172.6-69.6-99.8000109.8K355 M367 Y368 L374K355-H357 PolarHBondContact O-CD2 3.35Å; H357-M367 CarbonylContact O-C 3.59Å; H357-M367 WeakPolarHBondContact O-CA 3.42Å; H357-Y368 PolarHBondContact N-O 3.21Å; H357-Y368 PolarHBondContact O-N 2.7Å; H357-L374 HydrophobicContact CB-CB 3.99Å; H357-L374 HydrophobicContact CB-CD2 3.83Å
358K89Confident75.8Confident138 Ų13889.8 Ų89.860%0.652%0.515SS*.EExtended strand (participates in β ladder)trans-78.8143.7178.3-177.6-178.5173.8-173.70111.8M356 M367 L374M356-K358 PolarHBondContact O-N 3.39Å; K358-M367 HydrophobicContact CB-CG 4.07Å; K358-M367 HydrophobicContact CG-CG 4.08Å; K358-L374 WeakPolarHBondContact O-CD2 3.42Å
359C91Very high77.9Confident4 Ų489.9 Ų89.93%0.02751%0.512CS..  trans-69128.6170.4-167.90000111.9F361 C364 K366 L374 H377C359-F361 VanDerWaalsContact C-N 3.35Å; C359-C364 HydrophobicContact CB-CB 4.18Å; C359-K366 WeakPolarHBondContact CB-O 3.28Å; C359-K366 PolarHBondContact N-O 3.36Å; C359-L374 HydrophobicContact CB-CD1 4.15Å; C359-H377 PolarHBondContact SG-NE2 2.68Å
360T88.9Confident79.6Confident122 Ų12289.9 Ų89.975%0.74851%0.505SS*.  trans-81.3-13.3178.5-32.60000113
361F89.1Confident81.4Confident95 Ų9586.4 Ų86.442%0.41749%0.485SS..SBendtrans-71.1131.9-173.7-165.3-89.3000111.8C359 G363 C364 H381C359-F361 VanDerWaalsContact C-N 3.35Å; F361-G363 PolarHBondContact O-N 3.32Å; F361-C364 HydrophobicContact CB-CB 4.25Å; F361-C364 WeakPolarHBondContact O-CB 3.38Å; F361-C364 PolarHBondContact O-N 3.49Å; F361-H381 HydrophobicContact CB-CB 4.47Å; F361-H381 AromaticContact CD1-CE1 3.34Å; F361-H381 WeakPolarHBondContact CD1-CE1 3.34Å; F361-H381 AromaticContact CD1-CG 3.85Å; F361-H381 AromaticContact CD1-ND1 3.21Å; F361-H381 WeakPolarHBondContact CD1-ND1 3.42Å; F361-H381 HydrophobicContact CD2-CB 3.57Å; F361-H381 AromaticContact CD2-CG 3.72Å; F361-H381 AromaticContact CD2-ND1 3.87Å; F361-H381 AromaticContact CE1-ND1 3.53Å; F361-H381 HydrophobicContact CE2-CB 3.85Å; F361-H381 HydrophobicContact CG-CB 3.93Å; F361-H381 AromaticContact CG-CD2 3.86Å; F361-H381 AromaticContact CG-CE1 3.66Å; F361-H381 AromaticContact CG-CG 3.51Å; F361-H381 AromaticContact CG-ND1 3.39Å; F361-H381 WeakPolarHBondContact CG-ND1 3.27Å; F361-H381 AromaticContact CG-NE2 3.98Å; F361-H381 HydrophobicContact CZ-CB 4.44Å; F361-H381 AromaticContact CZ-ND1 3.99Å
362P87.9Confident82.9Confident106 Ų10684.1 Ų84.169%0.68847%0.466SS*.THydrogen-bonded Turntrans-58.1134.8-177.923.4-33.9000111.7C364P362-C364 VanDerWaalsContact C-N 3.27Å; P362-C364 PolarHBondContact O-N 3.11Å
363G86.9Confident84.6Confident92 Ų9282 Ų8295%0.94845%0.452SS*.THydrogen-bonded Turntrans77.4-2.1-174.500000115.5F361F361-G363 PolarHBondContact O-N 3.32Å
364C89.5Confident86.1Confident18 Ų1876.4 Ų76.412%0.12242%0.422CS..  trans-101.4104.8177.2-153.60000113.3C359 F361 P362 K366 H377 H381C359-C364 HydrophobicContact CB-CB 4.18Å; F361-C364 HydrophobicContact CB-CB 4.25Å; F361-C364 WeakPolarHBondContact O-CB 3.38Å; F361-C364 PolarHBondContact O-N 3.49Å; P362-C364 VanDerWaalsContact C-N 3.27Å; P362-C364 PolarHBondContact O-N 3.11Å; C364-K366 VanDerWaalsContact C-N 3.28Å; C364-K366 PolarHBondContact O-N 2.4Å; C364-H377 PolarHBondContact SG-NE2 3.29Å; C364-H377 VanDerWaalsContact SG-NE2 3.42Å; C364-H381 PolarHBondContact SG-NE2 2.94Å; C364-H381 VanDerWaalsContact SG-NE2 3.38Å
365A89.8Confident86.9Confident91 Ų9177.9 Ų77.975%0.75243%0.426SS*.  trans-8413.517900000115
366K89.8Confident87.2Confident105 Ų10570.9 Ų70.946%0.45740%0.399SS..  trans-78143.9-174-64.3-166.4177.5-167.70112.4C359 C364 Y368C359-K366 WeakPolarHBondContact CB-O 3.28Å; C359-K366 PolarHBondContact N-O 3.36Å; C364-K366 VanDerWaalsContact C-N 3.28Å; C364-K366 PolarHBondContact O-N 2.4Å; K366-Y368 HydrophobicContact CB-CE2 3.71Å; K366-Y368 WeakPolarHBondContact CD-OH 3.47Å
367M90.3Very high87.3Confident117 Ų11767.2 Ų67.258%0.57638%0.38SS*.EExtended strand (participates in β ladder)trans-134.3150.8179.1-57.6-171.3-66.400110.2H357 K358H357-M367 CarbonylContact O-C 3.59Å; H357-M367 WeakPolarHBondContact O-CA 3.42Å; K358-M367 HydrophobicContact CB-CG 4.07Å; K358-M367 HydrophobicContact CG-CG 4.08Å
368Y87.1Confident87.4Confident55 Ų5567.7 Ų67.722%0.21638%0.384CS..EExtended strand (participates in β ladder)trans-136.6145-170.8-65.2-89.6000111.6H357 K366 K370 H373 L374 H377H357-Y368 PolarHBondContact N-O 3.21Å; H357-Y368 PolarHBondContact O-N 2.7Å; K366-Y368 HydrophobicContact CB-CE2 3.71Å; K366-Y368 WeakPolarHBondContact CD-OH 3.47Å; Y368-K370 VanDerWaalsContact C-N 3.35Å; Y368-H373 HydrophobicContact CD1-CB 3.58Å; Y368-H373 HydrophobicContact CE1-CB 4.41Å; Y368-H373 HydrophobicContact CG-CB 4.08Å; Y368-L374 HydrophobicContact CD2-CB 4.3Å; Y368-L374 HydrophobicContact CD2-CD1 4.29Å; Y368-H377 HydrophobicContact CE1-CB 4.46Å; Y368-H377 HydrophobicContact CE2-CB 3.99Å; Y368-H377 AromaticContact CE2-CD2 3.22Å; Y368-H377 WeakPolarHBondContact CE2-CD2 3.3Å; Y368-H377 AromaticContact CE2-CG 3.81Å; Y368-H377 AromaticContact CZ-CD2 3.62Å; Y368-H377 AromaticContact CZ-CG 3.77Å; Y368-H377 PolarHBondContact OH-CD2 2.7Å
369T85.6Confident87.3Confident86 Ų8662.9 Ų62.953%0.52836%0.362SS..SBendtrans-78.5-16176.950.30000114I354 M356I354-T369 HydrophobicContact CG2-CG2 4.27Å; M356-T369 HydrophobicContact CE-CG2 3.93Å
370K84Confident87.1Confident59 Ų5968.9 Ų68.926%0.25738%0.384SS..SBendtrans-124.3147.6179.3-65.2-163.3176.5-164.70110.8E158 Y368 H373 L374E158-K370 VanDerWaalsContact CG-NZ 3.33Å; E158-K370 IonicContact OE1-NZ 2.87Å; E158-K370 PolarHBondContact OE1-NZ 2.92Å; Y368-K370 VanDerWaalsContact C-N 3.35Å; K370-H373 HydrophobicContact CB-CB 4.27Å; K370-L374 PolarHBondContact O-N 3.13Å
371S84Confident86.9Confident35 Ų3565.3 Ų65.325%0.24536%0.359CS..Hα-helixtrans-60.9-47.2172.259.70000111.9E161 H373 L374 K375E161-S371 VanDerWaalsContact CD-OG 3.26Å; E161-S371 VanDerWaalsContact OE1-CB 3.32Å; E161-S371 WeakPolarHBondContact OE1-CB 3.41Å; E161-S371 PolarHBondContact OE1-OG 3.33Å; E161-S371 PolarHBondContact OE2-OG 3.35Å; S371-H373 VanDerWaalsContact C-N 3.34Å; S371-H373 PolarHBondContact O-N 2.72Å; S371-L374 WeakPolarHBondContact O-CB 3.17Å; S371-L374 PolarHBondContact O-N 3.4Å; S371-L374 VanDerWaalsContact O-N 3.07Å; S371-K375 PolarHBondContact O-N 3.1Å
372S82.5Confident86.7Confident15 Ų1564.8 Ų64.811%0.10536%0.364CS..Hα-helixtrans-57.9-41.1178.561.70000113L374 K375 A376S372-L374 VanDerWaalsContact C-N 3.32Å; S372-L374 PolarHBondContact O-N 3.28Å; S372-K375 WeakPolarHBondContact O-CB 3.34Å; S372-K375 PolarHBondContact O-N 3.03Å; S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.43Å
373H85.6Confident86.6Confident78 Ų7862.1 Ų62.136%0.36136%0.356SS..Hα-helixtrans-64.9-33.3176.3-68.9169.6000112.9Y368 K370 S371 H377Y368-H373 HydrophobicContact CD1-CB 3.58Å; Y368-H373 HydrophobicContact CE1-CB 4.41Å; Y368-H373 HydrophobicContact CG-CB 4.08Å; K370-H373 HydrophobicContact CB-CB 4.27Å; S371-H373 VanDerWaalsContact C-N 3.34Å; S371-H373 PolarHBondContact O-N 2.72Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.14Å; H373-H377 PolarHBondContact O-N 2.92Å
374L88.3Confident86.6Confident21 Ų2162.4 Ų62.411%0.1133%0.332CS..Hα-helixtrans-70.8-45170.6174.661.7000111.2H357 K358 C359 Y368 K370 S371 S372 A376 H377 L378H357-L374 HydrophobicContact CB-CB 3.99Å; H357-L374 HydrophobicContact CB-CD2 3.83Å; K358-L374 WeakPolarHBondContact O-CD2 3.42Å; C359-L374 HydrophobicContact CB-CD1 4.15Å; Y368-L374 HydrophobicContact CD2-CB 4.3Å; Y368-L374 HydrophobicContact CD2-CD1 4.29Å; K370-L374 PolarHBondContact O-N 3.13Å; S371-L374 WeakPolarHBondContact O-CB 3.17Å; S371-L374 PolarHBondContact O-N 3.4Å; S371-L374 VanDerWaalsContact O-N 3.07Å; S372-L374 VanDerWaalsContact C-N 3.32Å; S372-L374 PolarHBondContact O-N 3.28Å; L374-A376 PolarHBondContact O-N 3.36Å; L374-H377 CarbonylContact O-C 3.28Å; L374-H377 WeakPolarHBondContact O-CA 3.39Å; L374-H377 WeakPolarHBondContact O-CB 3.42Å; L374-H377 PolarHBondContact O-N 2.98Å; L374-L378 HydrophobicContact CD1-CD1 4.14Å; L374-L378 HydrophobicContact CD1-CD2 4.32Å; L374-L378 HydrophobicContact CD1-CG 3.93Å; L374-L378 HydrophobicContact CG-CD1 4.01Å; L374-L378 HydrophobicContact CG-CG 4.29Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.42Å
375K85.9Confident86.5Confident104 Ų10466.5 Ų66.545%0.45235%0.348SS..Hα-helixtrans-53-51.1176.1-165.5177.4178.3-177.70110.5E157 S371 S372 H377 L378 R379E157-K375 IonicContact OE1-NZ 3.69Å; E157-K375 PolarHBondContact OE1-NZ 3.2Å; E157-K375 IonicContact OE2-NZ 3.77Å; E157-K375 PolarHBondContact OE2-NZ 3.43Å; S371-K375 PolarHBondContact O-N 3.1Å; S372-K375 WeakPolarHBondContact O-CB 3.34Å; S372-K375 PolarHBondContact O-N 3.03Å; K375-H377 PolarHBondContact O-N 2.78Å; K375-L378 PolarHBondContact O-N 3.45Å; K375-R379 PolarHBondContact O-N 2.87Å
376A84.7Confident86.3Confident15 Ų1564.5 Ų64.512%0.12433%0.327CS..Hα-helixtrans-66.4-31.3175.200000113.8S372 L374 R400S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.43Å; L374-A376 PolarHBondContact O-N 3.36Å; A376-R400 HydrophobicContact CB-CG 4.36Å
377H87.3Confident86.2Confident10 Ų1060.2 Ų60.25%0.04631%0.308CS..Hα-helixtrans-68.2-43.1172.7171.320.5000112.1C359 C364 Y368 H373 L374 K375 R379 R380 H381C359-H377 PolarHBondContact SG-NE2 2.68Å; C364-H377 PolarHBondContact SG-NE2 3.29Å; C364-H377 VanDerWaalsContact SG-NE2 3.42Å; Y368-H377 HydrophobicContact CE1-CB 4.46Å; Y368-H377 HydrophobicContact CE2-CB 3.99Å; Y368-H377 AromaticContact CE2-CD2 3.22Å; Y368-H377 WeakPolarHBondContact CE2-CD2 3.3Å; Y368-H377 AromaticContact CE2-CG 3.81Å; Y368-H377 AromaticContact CZ-CD2 3.62Å; Y368-H377 AromaticContact CZ-CG 3.77Å; Y368-H377 PolarHBondContact OH-CD2 2.7Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.14Å; H373-H377 PolarHBondContact O-N 2.92Å; L374-H377 CarbonylContact O-C 3.28Å; L374-H377 WeakPolarHBondContact O-CA 3.39Å; L374-H377 WeakPolarHBondContact O-CB 3.42Å; L374-H377 PolarHBondContact O-N 2.98Å; K375-H377 PolarHBondContact O-N 2.78Å; H377-R379 PolarHBondContact O-N 2.76Å; H377-R380 PolarHBondContact CE1-NH2 2.83Å; H377-R380 PolarHBondContact ND1-NH2 3.46Å; H377-R380 VanDerWaalsContact O-CB 3.28Å; H377-R380 WeakPolarHBondContact O-CB 3.3Å; H377-R380 PolarHBondContact O-N 3.41Å; H377-H381 AromaticContact CE1-CD2 3.45Å; H377-H381 PolarHBondContact CE1-CD2 2.72Å; H377-H381 VanDerWaalsContact CE1-CD2 3.45Å; H377-H381 AromaticContact CE1-NE2 3.13Å; H377-H381 PolarHBondContact CE1-NE2 2.9Å; H377-H381 AromaticContact NE2-NE2 3.62Å
378L87.4Confident86.2Confident55 Ų5556.2 Ų56.229%0.28829%0.294SS..Hα-helixtrans-61.1-32.2-177-72169.1000112.1L374 K375 R380 H381 T382L374-L378 HydrophobicContact CD1-CD1 4.14Å; L374-L378 HydrophobicContact CD1-CD2 4.32Å; L374-L378 HydrophobicContact CD1-CG 3.93Å; L374-L378 HydrophobicContact CG-CD1 4.01Å; L374-L378 HydrophobicContact CG-CG 4.29Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.42Å; K375-L378 PolarHBondContact O-N 3.45Å; L378-R380 PolarHBondContact O-N 2.66Å; L378-R380 VanDerWaalsContact O-N 3.14Å; L378-H381 WeakPolarHBondContact O-CA 3.32Å; L378-H381 WeakPolarHBondContact O-CB 3.39Å; L378-H381 PolarHBondContact O-N 2.8Å; L378-T382 PolarHBondContact O-N 3.15Å; L378-T382 PolarHBondContact O-OG1 3.46Å
379R88Confident86.5Confident38 Ų3854.2 Ų54.214%0.14329%0.288CS..Hα-helixtrans-56-27.2170.6-65.3-178.8179.8146.4-0.1114K375 H377 H381 G383 E384 S399K375-R379 PolarHBondContact O-N 2.87Å; H377-R379 PolarHBondContact O-N 2.76Å; R379-H381 VanDerWaalsContact C-N 3.27Å; R379-H381 PolarHBondContact O-N 2.79Å; R379-G383 WeakPolarHBondContact O-CA 3.36Å; R379-G383 PolarHBondContact O-N 3.45Å; R379-E384 HydrophobicContact CB-CB 4.26Å; R379-E384 HydrophobicContact CG-CB 4.05Å; R379-E384 PolarHBondContact O-N 3.1Å; R379-S399 WeakPolarHBondContact CD-O 3.31Å; R379-S399 PolarHBondContact NH1-O 2.82Å
380R85.6Confident86.7Confident129 Ų12956.3 Ų56.349%0.48730%0.301SS..Hα-helixtrans-74.5-14.6173.3-170.2172.157.573.93113.3H377 L378H377-R380 PolarHBondContact CE1-NH2 2.83Å; H377-R380 PolarHBondContact ND1-NH2 3.46Å; H377-R380 VanDerWaalsContact O-CB 3.28Å; H377-R380 WeakPolarHBondContact O-CB 3.3Å; H377-R380 PolarHBondContact O-N 3.41Å; L378-R380 PolarHBondContact O-N 2.66Å; L378-R380 VanDerWaalsContact O-N 3.14Å
381H86.2Confident87Confident48 Ų4859.9 Ų59.922%0.22231%0.313CS..Hα-helixtrans-96.5-41.3172.5-72.2-68000112.4F361 C364 H377 L378 R379F361-H381 HydrophobicContact CB-CB 4.47Å; F361-H381 AromaticContact CD1-CE1 3.34Å; F361-H381 WeakPolarHBondContact CD1-CE1 3.34Å; F361-H381 AromaticContact CD1-CG 3.85Å; F361-H381 AromaticContact CD1-ND1 3.21Å; F361-H381 WeakPolarHBondContact CD1-ND1 3.42Å; F361-H381 HydrophobicContact CD2-CB 3.57Å; F361-H381 AromaticContact CD2-CG 3.72Å; F361-H381 AromaticContact CD2-ND1 3.87Å; F361-H381 AromaticContact CE1-ND1 3.53Å; F361-H381 HydrophobicContact CE2-CB 3.85Å; F361-H381 HydrophobicContact CG-CB 3.93Å; F361-H381 AromaticContact CG-CD2 3.86Å; F361-H381 AromaticContact CG-CE1 3.66Å; F361-H381 AromaticContact CG-CG 3.51Å; F361-H381 AromaticContact CG-ND1 3.39Å; F361-H381 WeakPolarHBondContact CG-ND1 3.27Å; F361-H381 AromaticContact CG-NE2 3.98Å; F361-H381 HydrophobicContact CZ-CB 4.44Å; F361-H381 AromaticContact CZ-ND1 3.99Å; C364-H381 PolarHBondContact SG-NE2 2.94Å; C364-H381 VanDerWaalsContact SG-NE2 3.38Å; H377-H381 AromaticContact CE1-CD2 3.45Å; H377-H381 PolarHBondContact CE1-CD2 2.72Å; H377-H381 VanDerWaalsContact CE1-CD2 3.45Å; H377-H381 AromaticContact CE1-NE2 3.13Å; H377-H381 PolarHBondContact CE1-NE2 2.9Å; H377-H381 AromaticContact NE2-NE2 3.62Å; L378-H381 WeakPolarHBondContact O-CA 3.32Å; L378-H381 WeakPolarHBondContact O-CB 3.39Å; L378-H381 PolarHBondContact O-N 2.8Å; R379-H381 VanDerWaalsContact C-N 3.27Å; R379-H381 PolarHBondContact O-N 2.79Å
382T85.1Confident87.2Confident84 Ų8463.6 Ų63.652%0.51534%0.336SS..Hα-helixtrans-79-19.4177.959.40000113.3L378 E384L378-T382 PolarHBondContact O-N 3.15Å; L378-T382 PolarHBondContact O-OG1 3.46Å; T382-E384 VanDerWaalsContact C-N 3.25Å; T382-E384 WeakPolarHBondContact CB-OE1 3.21Å; T382-E384 WeakPolarHBondContact CG2-OE1 3.39Å; T382-E384 PolarHBondContact O-N 2.96Å; T382-E384 WeakPolarHBondContact OG1-CG 3.28Å; T382-E384 PolarHBondContact OG1-OE1 3.01Å
383G85.7Confident87.4Confident50 Ų5067.2 Ų67.252%0.51538%0.376SS..  trans81.12.1-177.500000114.1R379 K385R379-G383 WeakPolarHBondContact O-CA 3.36Å; R379-G383 PolarHBondContact O-N 3.45Å; G383-K385 PolarHBondContact O-N 2.87Å
384E86.3Confident87.6Confident98 Ų9864.1 Ų64.146%0.45836%0.363SS..  trans-55.1131.7179.5-78161.5-122.200112.9R379 T382R379-E384 HydrophobicContact CB-CB 4.26Å; R379-E384 HydrophobicContact CG-CB 4.05Å; R379-E384 PolarHBondContact O-N 3.1Å; T382-E384 VanDerWaalsContact C-N 3.25Å; T382-E384 WeakPolarHBondContact CB-OE1 3.21Å; T382-E384 WeakPolarHBondContact CG2-OE1 3.39Å; T382-E384 PolarHBondContact O-N 2.96Å; T382-E384 WeakPolarHBondContact OG1-CG 3.28Å; T382-E384 PolarHBondContact OG1-OE1 3.01Å
385K87.6Confident87.6Confident104 Ų10466.9 Ų66.945%0.45240%0.396SS..  trans-130.875.8176.2-67.6166.9-178.7177.40110.3G383 F387 R397 F398G383-K385 PolarHBondContact O-N 2.87Å; K385-F387 PolarHBondContact O-N 3.33Å; K385-R397 HydrophobicContact CB-CB 3.64Å; K385-R397 HydrophobicContact CD-CB 4.33Å; K385-R397 PolarHBondContact O-NE 3.25Å; K385-F398 CarbonylContact C-O 3.25Å; K385-F398 VanDerWaalsContact C-O 3.28Å; K385-F398 WeakPolarHBondContact CA-O 3.41Å
386P86Confident87.8Confident48 Ų4869.4 Ų69.431%0.31240%0.403SS..  trans-59.7-48.1-176.1-22.233.8000111.5A388 R397P386-A388 PolarHBondContact O-N 3.26Å; P386-R397 PolarHBondContact O-NH2 3.13Å
387F88.1Confident88.1Confident15 Ų1575.1 Ų75.17%0.06642%0.421CS..EExtended strand (participates in β ladder)trans-75.8107.9-170.6-50.7-78000111.6K385 R397 F398 R400 L404K385-F387 PolarHBondContact O-N 3.33Å; F387-R397 CarbonylContact O-C 3.51Å; F387-R397 VanDerWaalsContact O-CA 3.27Å; F387-R397 WeakPolarHBondContact O-CA 3.22Å; F387-F398 HydrophobicContact CB-CB 4.45Å; F387-F398 PolarHBondContact N-O 3.45Å; F387-F398 PolarHBondContact O-N 3.45Å; F387-R400 VanDerWaalsContact CE2-C 3.43Å; F387-R400 VanDerWaalsContact CE2-CA 3.48Å; F387-L404 HydrophobicContact CB-CB 4.08Å; F387-L404 HydrophobicContact CB-CD2 3.81Å
388A90Very high88.2Confident33 Ų3375.8 Ų75.827%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-92.6149.7174.700000111.8P386 R397 L404P386-A388 PolarHBondContact O-N 3.26Å; A388-R397 HydrophobicContact CB-CG 4.11Å; A388-L404 VanDerWaalsContact O-CD2 3.26Å; A388-L404 WeakPolarHBondContact O-CD2 3.41Å
389C92.8Very high88.1Confident14 Ų1474.4 Ų74.410%0.09542%0.419CS..  trans-71135.2163.5-159.50000110C394 W396 L404 H407 H411C389-C394 HydrophobicContact CB-CB 4.19Å; C389-W396 PolarHBondContact N-O 2.98Å; C389-L404 HydrophobicContact CB-CD1 4.17Å; C389-H407 PolarHBondContact SG-NE2 3.45Å; C389-H411 PolarHBondContact SG-NE2 3.48Å
390T90.8Very high88Confident130 Ų13077.1 Ų77.180%0.79843%0.429SS*.  trans-96.93.2175.7510000112.9
391W89.5Confident88Confident134 Ų13472 Ų7251%0.50841%0.413SS..SBendtrans-72.3132179.2-169.7-86.3000110.7G393 C394 H411W391-G393 PolarHBondContact O-N 3.42Å; W391-C394 HydrophobicContact CB-CB 3.98Å; W391-C394 WeakPolarHBondContact O-CB 3.43Å; W391-C394 PolarHBondContact O-N 3.38Å; W391-H411 AromaticContact CD1-ND1 3.89Å; W391-H411 HydrophobicContact CD2-CB 3.6Å; W391-H411 AromaticContact CD2-CG 3.73Å; W391-H411 HydrophobicContact CE3-CB 3.67Å; W391-H411 HydrophobicContact CG-CB 4.12Å; W391-H411 AromaticContact CG-CD2 3.69Å; W391-H411 AromaticContact CG-CG 3.68Å; W391-H411 HydrophobicContact CH2-CB 4.17Å; W391-H411 HydrophobicContact CZ2-CB 4.11Å; W391-H411 HydrophobicContact CZ3-CB 3.96Å
392P87.8Confident87.9Confident112 Ų11272.8 Ų72.873%0.72742%0.419SS*.THydrogen-bonded Turntrans-52.5130.6-179.9-28.435.9000112.8C394P392-C394 VanDerWaalsContact C-N 3.25Å; P392-C394 PolarHBondContact O-N 3.35Å
393G87.6Confident88Confident92 Ų9271 Ų7195%0.94841%0.405SS*.THydrogen-bonded Turntrans76.2-2.8-17600000115.8W391W391-G393 PolarHBondContact O-N 3.42Å
394C88.6Confident88.3Confident13 Ų1369.7 Ų69.79%0.08839%0.386CS..  trans-100.293.5-179-163.70000113.5C389 W391 P392 W396 H407 H411C389-C394 HydrophobicContact CB-CB 4.19Å; W391-C394 HydrophobicContact CB-CB 3.98Å; W391-C394 WeakPolarHBondContact O-CB 3.43Å; W391-C394 PolarHBondContact O-N 3.38Å; P392-C394 VanDerWaalsContact C-N 3.25Å; P392-C394 PolarHBondContact O-N 3.35Å; C394-W396 PolarHBondContact O-N 3.32Å; C394-W396 VanDerWaalsContact O-N 3.11Å; C394-H407 PolarHBondContact SG-NE2 3.4Å; C394-H411 VanDerWaalsContact CB-CE1 3.41Å; C394-H411 WeakPolarHBondContact CB-CE1 3.35Å; C394-H411 VanDerWaalsContact CB-NE2 3.3Å; C394-H411 WeakPolarHBondContact CB-NE2 3.35Å; C394-H411 PolarHBondContact SG-CE1 2.96Å; C394-H411 PolarHBondContact SG-NE2 3.15Å
395G87.8Confident88.4Confident78 Ų7866.2 Ų66.280%0.80437%0.373SS*.  trans-74.814.5177.100000116.6
396W90.4Very high88.3Confident158 Ų15864.9 Ų64.960%0.59837%0.365SS*.  trans-76137.8-173-79.764.7000112.7C389 C394 F398C389-W396 PolarHBondContact N-O 2.98Å; C394-W396 PolarHBondContact O-N 3.32Å; C394-W396 VanDerWaalsContact O-N 3.11Å; W396-F398 HydrophobicContact CB-CE2 3.81Å; W396-F398 HydrophobicContact CB-CZ 3.82Å; W396-F398 HydrophobicContact CD2-CZ 4.47Å; W396-F398 HydrophobicContact CE3-CE1 4.11Å; W396-F398 AromaticContact CE3-CZ 3.86Å; W396-F398 HydrophobicContact CE3-CZ 3.86Å
397R92Very high88.5Confident134 Ų13463.8 Ų63.851%0.50636%0.356SS..EExtended strand (participates in β ladder)trans-128.7148.4176.4-51.4-172.274115.53.5112.3K385 P386 F387 A388K385-R397 HydrophobicContact CB-CB 3.64Å; K385-R397 HydrophobicContact CD-CB 4.33Å; K385-R397 PolarHBondContact O-NE 3.25Å; P386-R397 PolarHBondContact O-NH2 3.13Å; F387-R397 CarbonylContact O-C 3.51Å; F387-R397 VanDerWaalsContact O-CA 3.27Å; F387-R397 WeakPolarHBondContact O-CA 3.22Å; A388-R397 HydrophobicContact CB-CG 4.11Å
398F88.6Confident88.5Confident24 Ų2466.6 Ų66.611%0.10537%0.366CS..EExtended strand (participates in β ladder)trans-130.3157.3-169.2-58.1-83.7000112.7K385 F387 W396 E403 L404 H407K385-F398 CarbonylContact C-O 3.25Å; K385-F398 VanDerWaalsContact C-O 3.28Å; K385-F398 WeakPolarHBondContact CA-O 3.41Å; F387-F398 HydrophobicContact CB-CB 4.45Å; F387-F398 PolarHBondContact N-O 3.45Å; F387-F398 PolarHBondContact O-N 3.45Å; W396-F398 HydrophobicContact CB-CE2 3.81Å; W396-F398 HydrophobicContact CB-CZ 3.82Å; W396-F398 HydrophobicContact CD2-CZ 4.47Å; W396-F398 HydrophobicContact CE3-CE1 4.11Å; W396-F398 AromaticContact CE3-CZ 3.86Å; W396-F398 HydrophobicContact CE3-CZ 3.86Å; F398-E403 HydrophobicContact CB-CB 3.85Å; F398-E403 HydrophobicContact CD1-CB 3.85Å; F398-E403 HydrophobicContact CG-CB 4.09Å; F398-L404 HydrophobicContact CB-CB 4.35Å; F398-L404 HydrophobicContact CD2-CB 3.89Å; F398-L404 HydrophobicContact CD2-CD1 3.94Å; F398-L404 HydrophobicContact CE2-CD1 4.09Å; F398-L404 HydrophobicContact CG-CB 4.29Å; F398-H407 HydrophobicContact CE1-CB 3.98Å; F398-H407 HydrophobicContact CE2-CB 3.86Å; F398-H407 AromaticContact CE2-CD2 3.28Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.26Å; F398-H407 AromaticContact CE2-CG 3.67Å; F398-H407 HydrophobicContact CZ-CB 3.44Å; F398-H407 VanDerWaalsContact CZ-CB 3.44Å; F398-H407 AromaticContact CZ-CD2 3.38Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.33Å; F398-H407 AromaticContact CZ-CG 3.29Å; F398-H407 AromaticContact CZ-ND1 3.95Å
399S86.4Confident88.4Confident26 Ų2668 Ų6818%0.18236%0.364CS..SBendtrans-86.1-19-17771.20000113.4R379 E403R379-S399 WeakPolarHBondContact CD-O 3.31Å; R379-S399 PolarHBondContact NH1-O 2.82Å; S399-E403 PolarHBondContact N-OE2 3.14Å; S399-E403 VanDerWaalsContact N-OE2 3.11Å; S399-E403 PolarHBondContact OG-OE2 3.41Å
400R84.7Confident88.1Confident95 Ų9571.2 Ų71.236%0.35839%0.387SS..SBendtrans-137152-176.1-63.6154.152.3104.6-1110.9A376 F387 D402 E403 L404A376-R400 HydrophobicContact CB-CG 4.36Å; F387-R400 VanDerWaalsContact CE2-C 3.43Å; F387-R400 VanDerWaalsContact CE2-CA 3.48Å; R400-D402 WeakPolarHBondContact CB-OD1 3.16Å; R400-D402 IonicContact CZ-OD1 2.8Å; R400-D402 VanDerWaalsContact CZ-OD1 3.25Å; R400-D402 IonicContact CZ-OD2 2.66Å; R400-D402 IonicContact NE-OD1 2.71Å; R400-D402 PolarHBondContact NE-OD1 2.86Å; R400-D402 IonicContact NE-OD2 2.72Å; R400-D402 IonicContact NH2-OD1 3.25Å; R400-D402 PolarHBondContact NH2-OD1 3.11Å; R400-D402 IonicContact NH2-OD2 2.97Å; R400-D402 PolarHBondContact NH2-OD2 3.31Å; R400-E403 HydrophobicContact CB-CB 4.4Å; R400-E403 HydrophobicContact CB-CG 4Å; R400-E403 PolarHBondContact N-OE2 2.81Å; R400-E403 WeakPolarHBondContact O-CB 3.27Å; R400-E403 PolarHBondContact O-N 3.28Å; R400-L404 PolarHBondContact O-N 2.82Å
401S85.6Confident87.9Confident21 Ų2168 Ų6815%0.14736%0.363CS..Hα-helixtrans-57-48.4173.342.50000112.3E154 E403 L404 S405E154-S401 PolarHBondContact OE2-OG 3.34Å; S401-E403 VanDerWaalsContact C-N 3.28Å; S401-E403 PolarHBondContact O-N 2.93Å; S401-L404 PolarHBondContact O-N 2.92Å; S401-L404 VanDerWaalsContact O-N 3.13Å; S401-S405 PolarHBondContact O-N 3.34Å; S401-S405 PolarHBondContact O-OG 2.85Å
402D84.2Confident87.7Confident65 Ų6564.6 Ų64.635%0.34836%0.359SS..Hα-helixtrans-63.6-28.5179.379.9-45.1000114.2R400 S405 R406R400-D402 WeakPolarHBondContact CB-OD1 3.16Å; R400-D402 IonicContact CZ-OD1 2.8Å; R400-D402 VanDerWaalsContact CZ-OD1 3.25Å; R400-D402 IonicContact CZ-OD2 2.66Å; R400-D402 IonicContact NE-OD1 2.71Å; R400-D402 PolarHBondContact NE-OD1 2.86Å; R400-D402 IonicContact NE-OD2 2.72Å; R400-D402 IonicContact NH2-OD1 3.25Å; R400-D402 PolarHBondContact NH2-OD1 3.11Å; R400-D402 IonicContact NH2-OD2 2.97Å; R400-D402 PolarHBondContact NH2-OD2 3.31Å; D402-S405 WeakPolarHBondContact CA-OG 3.47Å; D402-R406 WeakPolarHBondContact O-CB 3.48Å; D402-R406 PolarHBondContact O-N 3.29Å
403E87.6Confident87.5Confident48 Ų4861.5 Ų61.522%0.22435%0.347CS..Hα-helixtrans-68.9-43174-68.5-177.2139.700111.2F398 S399 R400 S401 H407F398-E403 HydrophobicContact CB-CB 3.85Å; F398-E403 HydrophobicContact CD1-CB 3.85Å; F398-E403 HydrophobicContact CG-CB 4.09Å; S399-E403 PolarHBondContact N-OE2 3.14Å; S399-E403 VanDerWaalsContact N-OE2 3.11Å; S399-E403 PolarHBondContact OG-OE2 3.41Å; R400-E403 HydrophobicContact CB-CB 4.4Å; R400-E403 HydrophobicContact CB-CG 4Å; R400-E403 PolarHBondContact N-OE2 2.81Å; R400-E403 WeakPolarHBondContact O-CB 3.27Å; R400-E403 PolarHBondContact O-N 3.28Å; S401-E403 VanDerWaalsContact C-N 3.28Å; S401-E403 PolarHBondContact O-N 2.93Å; E403-H407 WeakPolarHBondContact O-CB 3.4Å; E403-H407 PolarHBondContact O-N 2.8Å
404L91.4Very high87.5Confident21 Ų2160.7 Ų60.711%0.1132%0.324CS..Hα-helixtrans-67.2-50175.4170.760000111.4F387 A388 C389 F398 R400 S401 R406 H407 R408F387-L404 HydrophobicContact CB-CB 4.08Å; F387-L404 HydrophobicContact CB-CD2 3.81Å; A388-L404 VanDerWaalsContact O-CD2 3.26Å; A388-L404 WeakPolarHBondContact O-CD2 3.41Å; C389-L404 HydrophobicContact CB-CD1 4.17Å; F398-L404 HydrophobicContact CB-CB 4.35Å; F398-L404 HydrophobicContact CD2-CB 3.89Å; F398-L404 HydrophobicContact CD2-CD1 3.94Å; F398-L404 HydrophobicContact CE2-CD1 4.09Å; F398-L404 HydrophobicContact CG-CB 4.29Å; R400-L404 PolarHBondContact O-N 2.82Å; S401-L404 PolarHBondContact O-N 2.92Å; S401-L404 VanDerWaalsContact O-N 3.13Å; L404-R406 PolarHBondContact O-N 3.48Å; L404-H407 CarbonylContact O-C 3.58Å; L404-H407 WeakPolarHBondContact O-CA 3.46Å; L404-H407 WeakPolarHBondContact O-CB 3.13Å; L404-H407 PolarHBondContact O-N 2.89Å; L404-R408 HydrophobicContact CD1-CG 4.15Å; L404-R408 WeakPolarHBondContact O-CG 3.46Å; L404-R408 PolarHBondContact O-N 3.45Å
405S87.9Confident87.5Confident26 Ų2666.1 Ų66.118%0.18235%0.346CS..Hα-helixtrans-68-21.8-179.7480000112.7S401 D402S401-S405 PolarHBondContact O-N 3.34Å; S401-S405 PolarHBondContact O-OG 2.85Å; D402-S405 WeakPolarHBondContact CA-OG 3.47Å
406R86.6Confident87.4Confident75 Ų7566 Ų6628%0.28333%0.331SS..Hα-helixtrans-71.5-46.3163-178.5-176.166.5-147.9-6.6112.5D402 L404 R408 R409 R428D402-R406 WeakPolarHBondContact O-CB 3.48Å; D402-R406 PolarHBondContact O-N 3.29Å; L404-R406 PolarHBondContact O-N 3.48Å; R406-R408 VanDerWaalsContact C-N 3.34Å; R406-R408 PolarHBondContact O-N 2.87Å; R406-R409 WeakPolarHBondContact O-CB 3.36Å; R406-R409 PolarHBondContact O-N 3.04Å; R406-R428 HydrophobicContact CG-CG 4.28Å
407H90Very high87.5Confident26 Ų2662.3 Ų62.312%0.1232%0.318CS..Hα-helixtrans-61.8-38.3178.1166.760.7000112.6C389 C394 F398 E403 L404 R409 S410 H411C389-H407 PolarHBondContact SG-NE2 3.45Å; C394-H407 PolarHBondContact SG-NE2 3.4Å; F398-H407 HydrophobicContact CE1-CB 3.98Å; F398-H407 HydrophobicContact CE2-CB 3.86Å; F398-H407 AromaticContact CE2-CD2 3.28Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.26Å; F398-H407 AromaticContact CE2-CG 3.67Å; F398-H407 HydrophobicContact CZ-CB 3.44Å; F398-H407 VanDerWaalsContact CZ-CB 3.44Å; F398-H407 AromaticContact CZ-CD2 3.38Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.33Å; F398-H407 AromaticContact CZ-CG 3.29Å; F398-H407 AromaticContact CZ-ND1 3.95Å; E403-H407 WeakPolarHBondContact O-CB 3.4Å; E403-H407 PolarHBondContact O-N 2.8Å; L404-H407 CarbonylContact O-C 3.58Å; L404-H407 WeakPolarHBondContact O-CA 3.46Å; L404-H407 WeakPolarHBondContact O-CB 3.13Å; L404-H407 PolarHBondContact O-N 2.89Å; H407-R409 PolarHBondContact O-N 3.23Å; H407-S410 PolarHBondContact ND1-OG 3.37Å; H407-S410 PolarHBondContact O-N 3.03Å; H407-S410 PolarHBondContact O-OG 3.39Å; H407-H411 AromaticContact CD2-NE2 3.36Å; H407-H411 PolarHBondContact CD2-NE2 3.42Å; H407-H411 AromaticContact CE1-CE1 3.81Å; H407-H411 AromaticContact CE1-NE2 2.94Å; H407-H411 PolarHBondContact CE1-NE2 3.07Å; H407-H411 AromaticContact ND1-NE2 3.98Å; H407-H411 AromaticContact NE2-NE2 2.4Å; H407-H411 PolarHBondContact NE2-NE2 3.05Å
408R87.8Confident87.6Confident73 Ų7360.1 Ų60.128%0.27531%0.313SS..Hα-helixtrans-53.8-26.6174.7-73.5178.262.1-142.6-9.5113.4L144 L404 R406 S410 H411 S412L144-R408 PolarHBondContact O-NH2 3.21Å; L404-R408 HydrophobicContact CD1-CG 4.15Å; L404-R408 WeakPolarHBondContact O-CG 3.46Å; L404-R408 PolarHBondContact O-N 3.45Å; R406-R408 VanDerWaalsContact C-N 3.34Å; R406-R408 PolarHBondContact O-N 2.87Å; R408-S410 VanDerWaalsContact C-N 3.33Å; R408-S410 PolarHBondContact O-N 3.13Å; R408-H411 PolarHBondContact O-N 2.68Å; R408-S412 PolarHBondContact O-N 3.38Å
409R87.6Confident87.8Confident62 Ų6259 Ų5923%0.23431%0.308CS..Hα-helixtrans-73.1-16.8175.9-55.5-174.5-175.399.111.4114.2R406 H407 G413R406-R409 WeakPolarHBondContact O-CB 3.36Å; R406-R409 PolarHBondContact O-N 3.04Å; H407-R409 PolarHBondContact O-N 3.23Å; R409-G413 PolarHBondContact O-N 3.26Å; R409-G413 VanDerWaalsContact O-N 3.09Å
410S86.3Confident88Confident82 Ų8263 Ų6357%0.57333%0.334SS*.Hα-helixtrans-76.9-24.8171.966.50000112.6H407 R408H407-S410 PolarHBondContact ND1-OG 3.37Å; H407-S410 PolarHBondContact O-N 3.03Å; H407-S410 PolarHBondContact O-OG 3.39Å; R408-S410 VanDerWaalsContact C-N 3.33Å; R408-S410 PolarHBondContact O-N 3.13Å
411H86.8Confident88.3Confident64 Ų6463 Ų6330%0.29634%0.344SS..Hα-helixtrans-78.4-41.7174.7-62.2-48.6000112.2C389 W391 C394 H407 R408C389-H411 PolarHBondContact SG-NE2 3.48Å; W391-H411 AromaticContact CD1-ND1 3.89Å; W391-H411 HydrophobicContact CD2-CB 3.6Å; W391-H411 AromaticContact CD2-CG 3.73Å; W391-H411 HydrophobicContact CE3-CB 3.67Å; W391-H411 HydrophobicContact CG-CB 4.12Å; W391-H411 AromaticContact CG-CD2 3.69Å; W391-H411 AromaticContact CG-CG 3.68Å; W391-H411 HydrophobicContact CH2-CB 4.17Å; W391-H411 HydrophobicContact CZ2-CB 4.11Å; W391-H411 HydrophobicContact CZ3-CB 3.96Å; C394-H411 VanDerWaalsContact CB-CE1 3.41Å; C394-H411 WeakPolarHBondContact CB-CE1 3.35Å; C394-H411 VanDerWaalsContact CB-NE2 3.3Å; C394-H411 WeakPolarHBondContact CB-NE2 3.35Å; C394-H411 PolarHBondContact SG-CE1 2.96Å; C394-H411 PolarHBondContact SG-NE2 3.15Å; H407-H411 AromaticContact CD2-NE2 3.36Å; H407-H411 PolarHBondContact CD2-NE2 3.42Å; H407-H411 AromaticContact CE1-CE1 3.81Å; H407-H411 AromaticContact CE1-NE2 2.94Å; H407-H411 PolarHBondContact CE1-NE2 3.07Å; H407-H411 AromaticContact ND1-NE2 3.98Å; H407-H411 AromaticContact NE2-NE2 2.4Å; H407-H411 PolarHBondContact NE2-NE2 3.05Å; R408-H411 PolarHBondContact O-N 2.68Å
412S85.3Confident88.6Confident62 Ų6264.5 Ų64.543%0.43435%0.354SS..Hα-helixtrans-86.2-5.6178.963.10000114.7R408 V414R408-S412 PolarHBondContact O-N 3.38Å; S412-V414 PolarHBondContact O-N 3.08Å; S412-V414 WeakPolarHBondContact OG-CG2 3.42Å
413G85.1Confident88.9Confident46 Ų4668.1 Ų68.147%0.47437%0.368SS..  trans65.13.5-178.700000115.8R409 K415R409-G413 PolarHBondContact O-N 3.26Å; R409-G413 VanDerWaalsContact O-N 3.09Å; G413-K415 PolarHBondContact O-N 3.39Å
414V86.6Confident89Confident75 Ų7570.5 Ų70.546%0.45538%0.378SS..  trans-66.6121.2-169.7176.10000111.6S412 P416S412-V414 PolarHBondContact O-N 3.08Å; S412-V414 WeakPolarHBondContact OG-CG2 3.42Å; V414-P416 VanDerWaalsContact O-CD 3.31Å; V414-P416 WeakPolarHBondContact O-CD 3.34Å
415K88.8Confident89.1Confident128 Ų12875.4 Ų75.456%0.55740%0.399SS*.  trans-115.778.2-178.2-68.8169.4-174.1179.40111.2G413 Y417 K425 F426 A427G413-K415 PolarHBondContact O-N 3.39Å; K415-Y417 VanDerWaalsContact C-N 3.31Å; K415-Y417 PolarHBondContact O-N 3.43Å; K415-K425 HydrophobicContact CB-CB 3.78Å; K415-F426 CarbonylContact C-O 3.1Å; K415-F426 VanDerWaalsContact C-O 3.25Å; K415-F426 WeakPolarHBondContact CA-O 3.26Å; K415-A427 HydrophobicContact CG-CB 4.35Å
416P86.6Confident89.2Confident75 Ų7576.2 Ų76.249%0.48740%0.399SS..  trans-82-3.7-168.834.4-35000114.2V414 F426V414-P416 VanDerWaalsContact O-CD 3.31Å; V414-P416 WeakPolarHBondContact O-CD 3.34Å; P416-F426 WeakPolarHBondContact CD-O 3.38Å
417Y91Very high89.3Confident81 Ų8174 Ų7432%0.31840%0.396SS..EExtended strand (participates in β ladder)trans-107.896.2-176.2-57.4-73000110.9K415 F426 S429K415-Y417 VanDerWaalsContact C-N 3.31Å; K415-Y417 PolarHBondContact O-N 3.43Å; Y417-F426 WeakPolarHBondContact CB-O 3.17Å; Y417-F426 PolarHBondContact N-O 3.02Å; Y417-F426 VanDerWaalsContact N-O 3.09Å; Y417-F426 PolarHBondContact O-N 3.2Å; Y417-S429 VanDerWaalsContact CD2-N 3.28Å; Y417-S429 VanDerWaalsContact CE2-N 3.34Å
418Q94.1Very high89.2Confident88 Ų8875.1 Ų75.141%0.41140%0.399SS..EExtended strand (participates in β ladder)trans-86.5143.6-179.4-173.5159.8-18.700112.8E423 K425 L432Q418-E423 WeakPolarHBondContact CG-O 3.49Å; Q418-K425 HydrophobicContact CB-CG 4.26Å; Q418-K425 HydrophobicContact CG-CG 4.18Å; Q418-K425 VanDerWaalsContact OE1-CE 3.24Å; Q418-L432 WeakPolarHBondContact O-CD2 3.38Å
419C92.9Very high89.3Confident1 Ų174.5 Ų74.51%0.00741%0.407CS..  trans-77.8125.4172-172.50000111.8V421 E423 K424 F426 L432 H435C419-V421 PolarHBondContact O-N 3.16Å; C419-E423 WeakPolarHBondContact O-CA 3.29Å; C419-E423 PolarHBondContact O-N 3.33Å; C419-K424 WeakPolarHBondContact CB-O 3.47Å; C419-K424 PolarHBondContact N-O 2.95Å; C419-F426 HydrophobicContact CB-CE2 4.4Å; C419-L432 HydrophobicContact CB-CD1 3.93Å; C419-H435 VanDerWaalsContact SG-CD2 3.55Å
420P90.9Very high89.4Confident110 Ų11074 Ų7471%0.71441%0.408SS*.THydrogen-bonded Turntrans-77.14.9178.533.1-37.3000114.2
421V90.3Very high89.7Confident95 Ų9572 Ų7258%0.57639%0.39SS*.THydrogen-bonded Turntrans-114.8-36.9-177.8-175.60000112.4C419 H439C419-V421 PolarHBondContact O-N 3.16Å; V421-H439 HydrophobicContact CG1-CB 4.17Å; V421-H439 HydrophobicContact CG2-CB 4.4Å
422C92.3Very high90.1Very high52 Ų5270.1 Ų70.135%0.35138%0.382SS..THydrogen-bonded Turntrans-142.120.5-178.276.70000113.4K424 H435 H439C422-K424 PolarHBondContact O-N 2.91Å; C422-H435 PolarHBondContact SG-NE2 2.76Å; C422-H439 PolarHBondContact SG-CE1 2.97Å; C422-H439 PolarHBondContact SG-NE2 3.3Å
423E90.6Very high90.4Very high140 Ų14070.4 Ų70.465%0.65438%0.384SS*.  trans57.4-1.8170.8-60.6-173.6-167.200118.3Q418 C419 K425Q418-E423 WeakPolarHBondContact CG-O 3.49Å; C419-E423 WeakPolarHBondContact O-CA 3.29Å; C419-E423 PolarHBondContact O-N 3.33Å; E423-K425 PolarHBondContact O-N 3.29Å
424K90.9Very high90.7Very high99 Ų9974 Ų7443%0.4339%0.387SS..  trans-54.1124.3173.4-71.9-162.3172.2-169.40110.4D45 C419 C422 F426D45-K424 IonicContact OD2-NZ 3.72Å; D45-K424 PolarHBondContact OD2-NZ 3.32Å; C419-K424 WeakPolarHBondContact CB-O 3.47Å; C419-K424 PolarHBondContact N-O 2.95Å; C422-K424 PolarHBondContact O-N 2.91Å; K424-F426 HydrophobicContact CB-CE2 4.01Å; K424-F426 HydrophobicContact CB-CZ 4.13Å; K424-F426 WeakPolarHBondContact O-CD2 3.41Å; K424-F426 WeakPolarHBondContact O-CE2 3.36Å
425K91.8Very high91Very high124 Ų12472.2 Ų72.254%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-93.1137.9-178.8-61.7-175.8178.8-1800110.8K415 Q418 E423K415-K425 HydrophobicContact CB-CB 3.78Å; Q418-K425 HydrophobicContact CB-CG 4.26Å; Q418-K425 HydrophobicContact CG-CG 4.18Å; Q418-K425 VanDerWaalsContact OE1-CE 3.24Å; E423-K425 PolarHBondContact O-N 3.29Å
426F90.2Very high91.1Very high43 Ų4368 Ų6819%0.18936%0.356CS..EExtended strand (participates in β ladder)trans-123.2145.4-178-61.4-89.3000111.5K415 P416 Y417 C419 K424 R428 H431 L432 H435K415-F426 CarbonylContact C-O 3.1Å; K415-F426 VanDerWaalsContact C-O 3.25Å; K415-F426 WeakPolarHBondContact CA-O 3.26Å; P416-F426 WeakPolarHBondContact CD-O 3.38Å; Y417-F426 WeakPolarHBondContact CB-O 3.17Å; Y417-F426 PolarHBondContact N-O 3.02Å; Y417-F426 VanDerWaalsContact N-O 3.09Å; Y417-F426 PolarHBondContact O-N 3.2Å; C419-F426 HydrophobicContact CB-CE2 4.4Å; K424-F426 HydrophobicContact CB-CE2 4.01Å; K424-F426 HydrophobicContact CB-CZ 4.13Å; K424-F426 WeakPolarHBondContact O-CD2 3.41Å; K424-F426 WeakPolarHBondContact O-CE2 3.36Å; F426-R428 PolarHBondContact O-N 3.45Å; F426-H431 HydrophobicContact CB-CB 4.48Å; F426-H431 HydrophobicContact CD1-CB 3.95Å; F426-H431 HydrophobicContact CG-CB 4.47Å; F426-L432 HydrophobicContact CB-CB 4.37Å; F426-L432 HydrophobicContact CD2-CB 3.93Å; F426-L432 HydrophobicContact CD2-CD1 3.91Å; F426-L432 HydrophobicContact CE2-CD1 4.05Å; F426-L432 HydrophobicContact CG-CB 4.28Å; F426-H435 HydrophobicContact CE1-CB 4.13Å; F426-H435 HydrophobicContact CE2-CB 4.05Å; F426-H435 AromaticContact CE2-CD2 3.53Å; F426-H435 AromaticContact CE2-CG 3.79Å; F426-H435 HydrophobicContact CZ-CB 3.57Å; F426-H435 AromaticContact CZ-CD2 3.54Å; F426-H435 AromaticContact CZ-CG 3.34Å; F426-H435 AromaticContact CZ-ND1 3.77Å
427A88.6Confident91.4Very high27 Ų2770.8 Ų70.822%0.22336%0.361CS..SBendtrans-73-11.9172.400000113.5K415K415-A427 HydrophobicContact CG-CB 4.35Å
428R87.9Confident91.2Very high50 Ų5070.8 Ų70.819%0.18937%0.369CS..  trans-140.8134.1-171.1-66.6167.358.2170.50.3112.8R406 F426 D430 H431 L432R406-R428 HydrophobicContact CG-CG 4.28Å; F426-R428 PolarHBondContact O-N 3.45Å; R428-D430 VanDerWaalsContact C-N 3.31Å; R428-D430 IonicContact CZ-OD1 3.5Å; R428-D430 VanDerWaalsContact CZ-OD1 3.25Å; R428-D430 IonicContact NE-OD1 3.91Å; R428-D430 PolarHBondContact NE-OD1 3.28Å; R428-D430 IonicContact NH2-OD1 2.71Å; R428-D430 PolarHBondContact NH2-OD1 2.98Å; R428-D430 IonicContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact O-N 3.11Å; R428-H431 HydrophobicContact CB-CB 4.2Å; R428-H431 VanDerWaalsContact CZ-NE2 3.28Å; R428-H431 PolarHBondContact NE-CE1 3.13Å; R428-H431 PolarHBondContact NE-NE2 3.06Å; R428-H431 PolarHBondContact NH1-CE1 3.42Å; R428-H431 PolarHBondContact NH1-NE2 3.07Å; R428-H431 PolarHBondContact NH2-CE1 3.03Å; R428-H431 VanDerWaalsContact NH2-CE1 3.32Å; R428-H431 PolarHBondContact O-N 3.33Å; R428-L432 PolarHBondContact O-N 3.41Å; R428-L432 VanDerWaalsContact O-N 3.15Å
429S90.4Very high90.8Very high61 Ų6169.8 Ų69.843%0.42736%0.364SS..Hα-helixtrans-63.2-33176.954.50000113.3Y417 H431 S433Y417-S429 VanDerWaalsContact CD2-N 3.28Å; Y417-S429 VanDerWaalsContact CE2-N 3.34Å; S429-H431 VanDerWaalsContact C-N 3.32Å; S429-S433 VanDerWaalsContact O-CB 3.31Å; S429-S433 WeakPolarHBondContact O-CB 3.38Å; S429-S433 PolarHBondContact O-N 3.38Å; S429-S433 PolarHBondContact O-OG 2.89Å
430D89.8Confident90Very high51 Ų5176.6 Ų76.627%0.27339%0.39SS..Hα-helixtrans-70.2-29.8176.885.8-90.4000112.4R428 K434R428-D430 VanDerWaalsContact C-N 3.31Å; R428-D430 IonicContact CZ-OD1 3.5Å; R428-D430 VanDerWaalsContact CZ-OD1 3.25Å; R428-D430 IonicContact NE-OD1 3.91Å; R428-D430 PolarHBondContact NE-OD1 3.28Å; R428-D430 IonicContact NH2-OD1 2.71Å; R428-D430 PolarHBondContact NH2-OD1 2.98Å; R428-D430 IonicContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact O-N 3.11Å; D430-K434 WeakPolarHBondContact O-CD 3.49Å; D430-K434 VanDerWaalsContact O-CG 3.23Å; D430-K434 WeakPolarHBondContact O-CG 3.32Å; D430-K434 PolarHBondContact O-N 3.48Å; D430-K434 WeakPolarHBondContact OD2-CE 3.31Å; D430-K434 IonicContact OD2-NZ 2.6Å; D430-K434 PolarHBondContact OD2-NZ 3.5Å
431H92.6Very high88.9Confident41 Ų4178.9 Ų78.919%0.1939%0.389CS..Hα-helixtrans-74.2-45.3175.6-66.73.3000110.6D48 F426 R428 S429 S433 K434 H435D48-H431 IonicContact OD1-NE2 3.03Å; F426-H431 HydrophobicContact CB-CB 4.48Å; F426-H431 HydrophobicContact CD1-CB 3.95Å; F426-H431 HydrophobicContact CG-CB 4.47Å; R428-H431 HydrophobicContact CB-CB 4.2Å; R428-H431 VanDerWaalsContact CZ-NE2 3.28Å; R428-H431 PolarHBondContact NE-CE1 3.13Å; R428-H431 PolarHBondContact NE-NE2 3.06Å; R428-H431 PolarHBondContact NH1-CE1 3.42Å; R428-H431 PolarHBondContact NH1-NE2 3.07Å; R428-H431 PolarHBondContact NH2-CE1 3.03Å; R428-H431 VanDerWaalsContact NH2-CE1 3.32Å; R428-H431 PolarHBondContact O-N 3.33Å; S429-H431 VanDerWaalsContact C-N 3.32Å; H431-S433 VanDerWaalsContact C-N 3.29Å; H431-S433 PolarHBondContact O-N 2.85Å; H431-K434 PolarHBondContact O-N 3.12Å; H431-H435 WeakPolarHBondContact O-CB 3.38Å; H431-H435 PolarHBondContact O-N 2.62Å
432L94.4Very high87.4Confident23 Ų2379.1 Ų79.112%0.1239%0.392CS..Hα-helixtrans-55.4-44.7169.117460.8000111.6Q418 C419 F426 R428 K434 H435 I436Q418-L432 WeakPolarHBondContact O-CD2 3.38Å; C419-L432 HydrophobicContact CB-CD1 3.93Å; F426-L432 HydrophobicContact CB-CB 4.37Å; F426-L432 HydrophobicContact CD2-CB 3.93Å; F426-L432 HydrophobicContact CD2-CD1 3.91Å; F426-L432 HydrophobicContact CE2-CD1 4.05Å; F426-L432 HydrophobicContact CG-CB 4.28Å; R428-L432 PolarHBondContact O-N 3.41Å; R428-L432 VanDerWaalsContact O-N 3.15Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.02Å; L432-H435 PolarHBondContact O-N 3.48Å; L432-I436 HydrophobicContact CD1-CD1 3.69Å; L432-I436 HydrophobicContact CD1-CG1 3.88Å; L432-I436 HydrophobicContact CD2-CD1 4.42Å; L432-I436 HydrophobicContact CG-CD1 3.78Å; L432-I436 HydrophobicContact CG-CG1 4.38Å; L432-I436 WeakPolarHBondContact O-CB 3.42Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.95Å
433S92.9Very high85.7Confident69 Ų6987.7 Ų87.748%0.48342%0.417SS..Hα-helixtrans-65.5-31.4179.8-60.30000113.5S429 H431S429-S433 VanDerWaalsContact O-CB 3.31Å; S429-S433 WeakPolarHBondContact O-CB 3.38Å; S429-S433 PolarHBondContact O-N 3.38Å; S429-S433 PolarHBondContact O-OG 2.89Å; H431-S433 VanDerWaalsContact C-N 3.29Å; H431-S433 PolarHBondContact O-N 2.85Å
434K91.9Very high84Confident122 Ų12286.4 Ų86.453%0.5342%0.423SS..Hα-helixtrans-73-46.3171-72.5159.4-178.9165.50110.9D430 H431 L432 I436 K437D430-K434 WeakPolarHBondContact O-CD 3.49Å; D430-K434 VanDerWaalsContact O-CG 3.23Å; D430-K434 WeakPolarHBondContact O-CG 3.32Å; D430-K434 PolarHBondContact O-N 3.48Å; D430-K434 WeakPolarHBondContact OD2-CE 3.31Å; D430-K434 IonicContact OD2-NZ 2.6Å; D430-K434 PolarHBondContact OD2-NZ 3.5Å; H431-K434 PolarHBondContact O-N 3.12Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.02Å; K434-I436 PolarHBondContact O-N 3.44Å; K434-K437 WeakPolarHBondContact O-CB 3.24Å; K434-K437 PolarHBondContact O-N 3.47Å; K434-K437 VanDerWaalsContact O-N 3.08Å
435H92.7Very high82Confident37 Ų3788.4 Ų88.417%0.17144%0.439CS..Hα-helixtrans-60.9-41.7179.5173.374.9000112.7C419 C422 F426 H431 L432 K437 V438 H439C419-H435 VanDerWaalsContact SG-CD2 3.55Å; C422-H435 PolarHBondContact SG-NE2 2.76Å; F426-H435 HydrophobicContact CE1-CB 4.13Å; F426-H435 HydrophobicContact CE2-CB 4.05Å; F426-H435 AromaticContact CE2-CD2 3.53Å; F426-H435 AromaticContact CE2-CG 3.79Å; F426-H435 HydrophobicContact CZ-CB 3.57Å; F426-H435 AromaticContact CZ-CD2 3.54Å; F426-H435 AromaticContact CZ-CG 3.34Å; F426-H435 AromaticContact CZ-ND1 3.77Å; H431-H435 WeakPolarHBondContact O-CB 3.38Å; H431-H435 PolarHBondContact O-N 2.62Å; L432-H435 PolarHBondContact O-N 3.48Å; H435-K437 PolarHBondContact O-N 3.48Å; H435-K437 VanDerWaalsContact O-N 3.09Å; H435-V438 VanDerWaalsContact O-CB 3.28Å; H435-V438 WeakPolarHBondContact O-CB 3.12Å; H435-V438 PolarHBondContact O-N 3.31Å; H435-H439 AromaticContact CD2-NE2 3.75Å; H435-H439 AromaticContact CE1-NE2 3.49Å; H435-H439 PolarHBondContact CE1-NE2 2.95Å; H435-H439 AromaticContact NE2-CD2 3.79Å; H435-H439 AromaticContact NE2-CE1 3.97Å; H435-H439 AromaticContact NE2-NE2 2.99Å; H435-H439 PolarHBondContact NE2-NE2 3.17Å
436I91.1Very high79.8Confident39 Ų3993.4 Ų93.420%0.245%0.454CS..Hα-helixtrans-58.6-23.2175.1-74.3170.5000112.8L432 K434 V438 R440L432-I436 HydrophobicContact CD1-CD1 3.69Å; L432-I436 HydrophobicContact CD1-CG1 3.88Å; L432-I436 HydrophobicContact CD2-CD1 4.42Å; L432-I436 HydrophobicContact CG-CD1 3.78Å; L432-I436 HydrophobicContact CG-CG1 4.38Å; L432-I436 WeakPolarHBondContact O-CB 3.42Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.95Å; K434-I436 PolarHBondContact O-N 3.44Å; I436-V438 VanDerWaalsContact C-N 3.35Å; I436-R440 PolarHBondContact O-N 2.83Å
437K91.4Very high77.7Confident134 Ų13495.4 Ų95.458%0.58347%0.47SS*.Hα-helixtrans-73.3-26.4173.7-60.8179.3-178.5-172.10112.7K434 H435 H439 R440 F441K434-K437 WeakPolarHBondContact O-CB 3.24Å; K434-K437 PolarHBondContact O-N 3.47Å; K434-K437 VanDerWaalsContact O-N 3.08Å; H435-K437 PolarHBondContact O-N 3.48Å; H435-K437 VanDerWaalsContact O-N 3.09Å; K437-H439 VanDerWaalsContact C-N 3.32Å; K437-R440 PolarHBondContact O-N 2.6Å; K437-F441 PolarHBondContact O-N 3.5Å
438V87.9Confident75.6Confident80 Ų80100 Ų10049%0.48550%0.495SS..Hα-helixtrans-66.5-37.2175.3-172.70000110.5H435 I436 R440 F441 P442H435-V438 VanDerWaalsContact O-CB 3.28Å; H435-V438 WeakPolarHBondContact O-CB 3.12Å; H435-V438 PolarHBondContact O-N 3.31Å; I436-V438 VanDerWaalsContact C-N 3.35Å; V438-R440 VanDerWaalsContact C-N 3.34Å; V438-F441 CarbonylContact O-C 3.57Å; V438-F441 PolarHBondContact O-N 3.18Å; V438-P442 VanDerWaalsContact O-N 3.12Å
439H85.2Confident73.5Confident68 Ų68105.3 Ų105.332%0.31552%0.522SS..Hα-helixtrans-70.1-27.4173.9-63.1-54.5000113.6V421 C422 H435 K437V421-H439 HydrophobicContact CG1-CB 4.17Å; V421-H439 HydrophobicContact CG2-CB 4.4Å; C422-H439 PolarHBondContact SG-CE1 2.97Å; C422-H439 PolarHBondContact SG-NE2 3.3Å; H435-H439 AromaticContact CD2-NE2 3.75Å; H435-H439 AromaticContact CE1-NE2 3.49Å; H435-H439 PolarHBondContact CE1-NE2 2.95Å; H435-H439 AromaticContact NE2-CD2 3.79Å; H435-H439 AromaticContact NE2-CE1 3.97Å; H435-H439 AromaticContact NE2-NE2 2.99Å; H435-H439 PolarHBondContact NE2-NE2 3.17Å; K437-H439 VanDerWaalsContact C-N 3.32Å
440R76.4Confident71.2Confident143 Ų143107.1 Ų107.154%0.5453%0.534SS..Hα-helixtrans-78.4-26.9172.3-78.8-176.1167.184.2-10113.3N304 I436 K437 V438N304-R440 PolarHBondContact OD1-NH2 2.81Å; I436-R440 PolarHBondContact O-N 2.83Å; K437-R440 PolarHBondContact O-N 2.6Å; V438-R440 VanDerWaalsContact C-N 3.34Å
441F66.8Low69Low159 Ų159109.7 Ų109.770%0.69756%0.562SS**SBendtrans-133.370.8-179.5-58.4-72.5000110.2K437 V438 R443K437-F441 PolarHBondContact O-N 3.5Å; V438-F441 CarbonylContact O-C 3.57Å; V438-F441 PolarHBondContact O-N 3.18Å; F441-R443 PolarHBondContact O-N 3.19Å
442P60.3Low66.6Low99 Ų99118.4 Ų118.464%0.64361%0.611SS**  trans-57.8129.5171.425.4-33.8000108.6V438 S444V438-P442 VanDerWaalsContact O-N 3.12Å; P442-S444 PolarHBondContact O-N 3.15Å
443R55.9Low65.2Low233 Ų233123.2 Ų123.288%0.87964%0.635SS**  trans-63108.3174.4-80.8-176.7162.398-4.6108.4F441 N445F441-R443 PolarHBondContact O-N 3.19Å; R443-N445 PolarHBondContact O-N 3.07Å
444S55.6Low63.8Low112 Ų112126.1 Ų126.178%0.78364%0.643SS**SBendtrans-59124.9176.139.90000110P442P442-S444 PolarHBondContact O-N 3.15Å
445N48.2Very low62.2Low141 Ų141126.3 Ų126.375%0.75465%0.649SS**  trans45.784.8172.2-69.6-7.7000116.8R443 T447R443-N445 PolarHBondContact O-N 3.07Å; N445-T447 HydrophobicContact CB-CG2 4.2Å; N445-T447 PolarHBondContact O-N 2.71Å
446R46.6Very low60.4Low230 Ų230131.5 Ų131.587%0.86868%0.677SS**  trans-72.492.6133-179.8179.9-79.8-173.2-4.4106.2V448R446-V448 PolarHBondContact O-N 2.63Å
447T44.8Very low58.5Low85 Ų85137.3 Ų137.352%0.52171%0.707SS.*  trans-60.3106.5175.231.90000109.4N445 H449N445-T447 HydrophobicContact CB-CG2 4.2Å; N445-T447 PolarHBondContact O-N 2.71Å; T447-H449 VanDerWaalsContact C-N 3.31Å; T447-H449 PolarHBondContact O-N 3.38Å; T447-H449 PolarHBondContact O-ND1 3.08Å; T447-H449 VanDerWaalsContact O-ND1 3.1Å; T447-H449 PolarHBondContact OG1-CE1 3.14Å
448V45.3Very low56.3Low122 Ų122137.5 Ų137.574%0.73972%0.716SS**  trans-67.196.5170.5-1780000107.1R446 S450R446-V448 PolarHBondContact O-N 2.63Å; V448-S450 PolarHBondContact O-N 3.21Å
449H43.7Very low54Low163 Ų163141.6 Ų141.676%0.75573%0.732SS**  trans-73.583.8165.1-71.372.8000106.9T447 A451T447-H449 VanDerWaalsContact C-N 3.31Å; T447-H449 PolarHBondContact O-N 3.38Å; T447-H449 PolarHBondContact O-ND1 3.08Å; T447-H449 VanDerWaalsContact O-ND1 3.1Å; T447-H449 PolarHBondContact OG1-CE1 3.14Å; H449-A451 VanDerWaalsContact C-N 3.31Å; H449-A451 PolarHBondContact O-N 3.43Å
450S41.8Very low51.6Low99 Ų99147.3 Ų147.369%0.69276%0.764SS**  trans-61.999.3162.1-65.10000107.3V448 N452V448-S450 PolarHBondContact O-N 3.21Å; S450-N452 PolarHBondContact O-N 3.25Å
451A44.3Very low49.6Very low104 Ų104147.7 Ų147.786%0.8678%0.783SS**  trans-65.5127166.900000108.2H449H449-A451 VanDerWaalsContact C-N 3.31Å; H449-A451 PolarHBondContact O-N 3.43Å
452N41.7Very low48Very low225 Ų225146.6 Ų146.6100%1.20379%0.791SS**  trans-148.10-177.8-178.297.2000108.4S450S450-N452 PolarHBondContact O-N 3.25Å

Retrieved 452 of 452 residues in 143.9 ms (Link to these results)