A0A096MFY5_POEFO Loading...

Growth factor independent 1B transcriptional repressor

AlphaFold DB , UniProt , Accession A0A096MFY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 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
1M38.8Very low38.5Very low242 Ų242173.3 Ų173.3100%1.19284%0.842SS**  0128.10-66.8172.7172.100108.5
2P43.4Very low38.1Very low127 Ų127168.9 Ų168.983%0.82584%0.84SS**  trans-88.3130.4-17132.4-33000114.3
3R34.8Very low38Very low219 Ų219162.8 Ų162.883%0.82683%0.832SS**  trans32.4113.9147.3-68.8-178163.392.92.5119F5R3-F5 PolarHBondContact O-N 3.37Å
4S34.5Very low38Very low119 Ų119159.6 Ų159.683%0.83283%0.832SS**  trans-63.112315940.90000111.7L6S4-L6 PolarHBondContact O-N 3.31Å
5F35.7Very low38Very low182 Ų182162.7 Ų162.780%0.79883%0.83SS**  trans-86.2106.7171.6-75.7-89.2000110.3R3 V7R3-F5 PolarHBondContact O-N 3.37Å; F5-V7 VanDerWaalsContact C-N 3.29Å; F5-V7 PolarHBondContact O-N 3.3Å
6L47.4Very low37.5Very low156 Ų156162 Ų16282%0.81783%0.829SS**  trans-68.787.7166.1-75.6171000109.6S4 K8S4-L6 PolarHBondContact O-N 3.31Å; L6-K8 PolarHBondContact O-N 3.46Å
7V40.7Very low37.2Very low120 Ų120162.4 Ų162.473%0.72783%0.831SS**  trans-59.8104169.3178.40000107.9F5 N9F5-V7 VanDerWaalsContact C-N 3.29Å; F5-V7 PolarHBondContact O-N 3.3Å; V7-N9 PolarHBondContact O-N 3.19Å
8K35.9Very low36.9Very low166 Ų166162.4 Ų162.472%0.72283%0.827SS**  trans-62.3118.6172.3-108.388.5173.1-173.30107.7L6 K10L6-K8 PolarHBondContact O-N 3.46Å; K8-K10 HydrophobicContact CB-CG 4.36Å; K8-K10 PolarHBondContact O-N 3.4Å
9N37.9Very low36.9Very low159 Ų159161.8 Ų161.885%0.8581%0.813SS**  trans-6677.5167.2-77-5.8000110.1V7 R11V7-N9 PolarHBondContact O-N 3.19Å; N9-R11 PolarHBondContact O-N 3.39Å
10K38.3Very low36.3Very low182 Ų182160.5 Ų160.579%0.79181%0.814SS**  trans-70.885.2171.5-75.2-169176-176.10108.8K8 C12K8-K10 HydrophobicContact CB-CG 4.36Å; K8-K10 PolarHBondContact O-N 3.4Å; K10-C12 PolarHBondContact O-N 3.21Å; K10-C12 VanDerWaalsContact O-N 3.08Å
11R36.3Very low36.3Very low234 Ų234159.9 Ų159.988%0.88380%0.803SS**  trans-34.7113.2161.5177.3-171-66.8170.7-2.7109N9 A13N9-R11 PolarHBondContact O-N 3.39Å; R11-A13 PolarHBondContact O-N 3.47Å
12C33.8Very low36.2Very low121 Ų121157.1 Ų157.182%0.81879%0.787SS**  trans-67.498.7178-75.10000109.3K10 S14K10-C12 PolarHBondContact O-N 3.21Å; K10-C12 VanDerWaalsContact O-N 3.08Å; C12-S14 PolarHBondContact O-N 3.45Å
13A36.7Very low35.8Very low89 Ų89158.8 Ų158.874%0.73678%0.784SS**  trans-69.894.4169.900000108.2R11 Y15R11-A13 PolarHBondContact O-N 3.47Å; A13-Y15 PolarHBondContact O-N 3.17Å
14S37.6Very low35.9Very low118 Ų118157.2 Ų157.283%0.82579%0.786SS**  trans-76.758.9-179.861.10000111.6C12C12-S14 PolarHBondContact O-N 3.45Å
15Y38.2Very low35.8Very low207 Ų207160.1 Ų160.181%0.81279%0.786SS**  trans-148.698.5172.8-137.8-85.9000111A13A13-Y15 PolarHBondContact O-N 3.17Å
16N30.4Very low35.7Very low151 Ų151157.4 Ų157.481%0.80779%0.787SS**  trans-176.898.7148.5-97.8-19.1000108.8
17I32.8Very low34.9Very low168 Ų168154 Ų15486%0.86278%0.781SS**  trans-12783.3156.2-57.7179.8000105.2
18H31.5Very low34.5Very low163 Ų163157.2 Ų157.276%0.75579%0.788SS**  trans-91.5137.5167.7-151.1-102.4000109.2
19R36.2Very low34.2Very low152 Ų152153.7 Ų153.757%0.57478%0.784SS**  trans-25.5133.7-178.8-57.1178.4160.6-170.4-11.5116.3Y21R19-Y21 HydrophobicContact CB-CD2 3.8Å; R19-Y21 HydrophobicContact CB-CE2 4.27Å; R19-Y21 HydrophobicContact CG-CD2 3.58Å; R19-Y21 HydrophobicContact CG-CE2 3.56Å; R19-Y21 HydrophobicContact CG-CG 4.43Å; R19-Y21 VanDerWaalsContact CZ-CE1 3.44Å; R19-Y21 VanDerWaalsContact CZ-CZ 3.48Å; R19-Y21 VanDerWaalsContact NE-CZ 3.31Å; R19-Y21 VanDerWaalsContact NH2-CZ 3.3Å; R19-Y21 PolarHBondContact NH2-OH 2.94Å
20T25.6Very low34Very low134 Ų134154.3 Ų154.382%0.82278%0.782SS**  -95.8132.1113.750.60000107.7
21Y35Very low33.6Very low149 Ų149151.6 Ų151.658%0.58478%0.777SS**  trans-114.4110.9162.9-90.2-148.7000104.5R19 E23R19-Y21 HydrophobicContact CB-CD2 3.8Å; R19-Y21 HydrophobicContact CB-CE2 4.27Å; R19-Y21 HydrophobicContact CG-CD2 3.58Å; R19-Y21 HydrophobicContact CG-CE2 3.56Å; R19-Y21 HydrophobicContact CG-CG 4.43Å; R19-Y21 VanDerWaalsContact CZ-CE1 3.44Å; R19-Y21 VanDerWaalsContact CZ-CZ 3.48Å; R19-Y21 VanDerWaalsContact NE-CZ 3.31Å; R19-Y21 VanDerWaalsContact NH2-CZ 3.3Å; R19-Y21 PolarHBondContact NH2-OH 2.94Å; Y21-E23 PolarHBondContact O-N 3.18Å
22E36.8Very low33.5Very low183 Ų183148.4 Ų148.486%0.85577%0.772SS**  trans-81.398.7161.1-75.5171.7128.300106.2E24E22-E24 VanDerWaalsContact C-N 3.35Å; E22-E24 PolarHBondContact O-N 2.85Å
23E35.2Very low33.4Very low163 Ų163151.7 Ų151.776%0.76278%0.775SS**  trans-91.875.4175.4-166.5161.2113.800107.4Y21 Q25Y21-E23 PolarHBondContact O-N 3.18Å; E23-Q25 PolarHBondContact O-N 2.92Å
24E38.5Very low33.2Very low185 Ų185153.5 Ų153.586%0.86478%0.777SS**PPolyproline II helixtrans-63.9123.3175.8-68.5-167111.600109.9E22E22-E24 VanDerWaalsContact C-N 3.35Å; E22-E24 PolarHBondContact O-N 2.85Å
25Q31.8Very low33.8Very low181 Ų181153.1 Ų153.185%0.84677%0.771SS**PPolyproline II helixtrans-78.2143-171.9-63.5173.6-40.100111.5E23E23-Q25 PolarHBondContact O-N 2.92Å
26P33Very low33.6Very low125 Ų125148.2 Ų148.281%0.81277%0.767SS**PPolyproline II helixtrans-66.3138.2155.5-11.327.7000109.5
27A31.6Very low33.8Very low85 Ų85148.1 Ų148.170%0.70276%0.762SS**PPolyproline II helixtrans-75.4144.8176.900000112.5
28E32.6Very low33.9Very low186 Ų186146.2 Ų146.287%0.86975%0.753SS**  trans31.7130.6139.9-56.1177.2128.800118.6
29S28Very low34Very low92 Ų92145.8 Ų145.864%0.64375%0.751SS**  -169.6158.965.138.10000113.4
30E34.9Very low33.6Very low172 Ų172143.7 Ų143.780%0.80476%0.76SS**  trans63.4145.7154.1-66.5155143.200117.8
31D29.6Very low33.8Very low126 Ų126143.4 Ų143.467%0.67476%0.758SS**  cis-148.4-175.19.7-142.8-26000113.4
32Q34.5Very low33.5Very low167 Ų167143.1 Ų143.178%0.7877%0.767SS**  trans-65.9145.6-168.5-59.4142.759.400117.4
33E31.5Very low33.2Very low190 Ų190138.7 Ų138.789%0.88876%0.756SS**  -165.9156.9112.8-131.7-174.977.500113.8
34V31.1Very low33.1Very low127 Ų127136.3 Ų136.377%0.7776%0.758SS**  trans-161147.4-169.4157.10000106.5
35P51Low32.9Very low109 Ų109136.7 Ų136.771%0.70876%0.759SS**  cis-140.5-164.225.928.9-2.7000116.4
36S33.4Very low33.1Very low105 Ų105136.4 Ų136.473%0.73476%0.758SS**  trans98.5143.2146.8-53.60000118.5
37Q35Very low34.2Very low149 Ų149134.7 Ų134.770%0.69675%0.747SS**  cis-166.9146.4-8.2-110.1-70.233.800110
38L35.8Very low34.2Very low128 Ų128138.1 Ų138.167%0.6775%0.752SS**  trans62.4161.3160.6-54.6179.3000117.9
39Q32.7Very low34.2Very low153 Ų153133.8 Ų133.872%0.71574%0.743SS**  cis-161.1145.5-0.2-133.2162-5.600112.7
40S28.8Very low34.4Very low109 Ų109138 Ų13876%0.76275%0.752SS**  trans57.8164.4154.3-50.10000119.1
41T29.9Very low34.4Very low128 Ų128132.9 Ų132.979%0.78575%0.745SS**  cis-131.6137.83.244.40000108.5
42D28Very low35.5Very low143 Ų143132.8 Ų132.877%0.76575%0.751SS**  82.8143.263.4-171.3-105000116
43S31.5Very low35.4Very low89 Ų89129 Ų12962%0.62274%0.743SS**  trans69.1123.5176.3-67.20000117.5
44S31.4Very low35.6Very low114 Ų114128.2 Ų128.280%0.79774%0.744SS**  cis86.1139.948-620000111.9
45E34.7Very low35.8Very low193 Ų193127.6 Ų127.690%0.90275%0.746SS**  cis-139165.615.6-65.3177.5102.100113.9
46E37.3Very low35.3Very low175 Ų175126.9 Ų126.982%0.81875%0.749SS**  trans-94.7-154.5164.2-95.9-97.5128.300108.7
47P55.1Low35.4Very low89 Ų89128.9 Ų128.958%0.57875%0.752SS**  cis-135.6-167.4-17.116.911.4000114.5
48L32.1Very low35.5Very low156 Ų156132.5 Ų132.582%0.81776%0.759SS**  trans73.2149.7155-65.4138000118.2
49S32.3Very low35.4Very low96 Ų96132.1 Ų132.167%0.67177%0.766SS**  cis-172.1179.2-15.256.50000108.7
50E32.8Very low35.5Very low181 Ų181129.9 Ų129.985%0.84677%0.767SS**  cis-135.5-173.64.1-76.6-167.474.300110.7
51G34.3Very low36.4Very low63 Ų63130.3 Ų130.365%0.64977%0.767SS**  trans-98.1-137.5157.500000111.2
52P52.1Low37.2Very low124 Ų124129.8 Ų129.881%0.80577%0.766SS**  cis-110.2-140.7-12.620.84.2000109.1
53S33Very low37.7Very low87 Ų87132.5 Ų132.561%0.60877%0.774SS**  cis-163.5152.56-20.60000111.9
54L35.2Very low38.3Very low174 Ų174135.9 Ų135.991%0.91179%0.785SS**  trans66.1150.2155.4-58.6172.1000117.7
55S35.3Very low38.9Very low114 Ų114135.4 Ų135.480%0.79778%0.782SS**  cis-143.2158.90.646.90000110.5
56A40.6Very low39.6Very low95 Ų95133.9 Ų133.979%0.78578%0.775SS**  trans-101.9147.5167.400000109.8
57D36.6Very low40Very low147 Ų147131.1 Ų131.179%0.78677%0.772SS**  trans-155.7146.9149.5-134.8-47.8000113.7
58R35.8Very low39.5Very low224 Ų224134.7 Ų134.785%0.84578%0.781SS**  trans28.1129168.6-75.6152.690.4-157.73.4123
59C33.8Very low39.7Very low121 Ų121132.5 Ų132.582%0.81878%0.778SS**  trans-109.1129.7153.3-177.20000109.5
60S34.8Very low40.5Very low106 Ų106133.8 Ų133.874%0.74178%0.783SS**  trans-165.6126.6166.2-74.50000111
61P47.4Very low41.2Very low117 Ų117133 Ų13376%0.7678%0.784SS**  trans-108.9-171168.341.9-33.7000111.1
62P47Very low41.6Very low118 Ų118135.4 Ų135.477%0.76679%0.788SS**  cis-111.8174.9-38.637.1-25.7000110.8
63E39.4Very low41.3Very low200 Ų200134 Ų13494%0.93579%0.788SS**  trans-120.6149.2160.4-66.7-145.1112.200111.2
64D43.4Very low41.9Very low160 Ų160138.6 Ų138.686%0.85680%0.799SS**  trans-97.5121-165.4-168.2-64.4000111.4
65S44.1Very low42.4Very low104 Ų104135.9 Ų135.973%0.72779%0.792SS**  trans-164.2102.2165.163.60000111.7P67S65-P67 VanDerWaalsContact O-CD 3.31Å; S65-P67 WeakPolarHBondContact O-CD 3.31Å
66E48.9Very low43.3Very low160 Ų160139 Ų13975%0.74879%0.794SS**  trans-69.3123.1165-77.9-169.772.200111.2Q68E66-Q68 PolarHBondContact O-N 3.47Å; E66-Q68 VanDerWaalsContact O-N 3.17Å
67P46.7Very low43.4Very low118 Ų118140.3 Ų140.377%0.76679%0.794SS**  trans-8187159.132.9-30.3000108.6S65 C69S65-P67 VanDerWaalsContact O-CD 3.31Å; S65-P67 WeakPolarHBondContact O-CD 3.31Å; P67-C69 PolarHBondContact O-N 3.45Å
68Q43.2Very low43.9Very low164 Ų164137.9 Ų137.977%0.76680%0.795SS**  trans-64.9100.3-176.5-139.4175.93.600111E66 P70E66-Q68 PolarHBondContact O-N 3.47Å; E66-Q68 VanDerWaalsContact O-N 3.17Å; Q68-P70 WeakPolarHBondContact O-CD 3.46Å
69C37.1Very low44.7Very low110 Ų110132.3 Ų132.374%0.74379%0.79SS**PPolyproline II helixtrans-62.5127.5-179.6-70.60000111.3P67 L71P67-C69 PolarHBondContact O-N 3.45Å; C69-L71 PolarHBondContact O-N 2.89Å
70P49.3Very low45.3Very low122 Ų122131.9 Ų131.979%0.79279%0.786SS**PPolyproline II helixtrans-59.6123.2170.1-2334.1000110.5Q68Q68-P70 WeakPolarHBondContact O-CD 3.46Å
71L47.9Very low45.7Very low164 Ų164132.8 Ų132.886%0.85979%0.789SS**PPolyproline II helixtrans-60.3131.5175.7-75.4168.3000110C69 A73C69-L71 PolarHBondContact O-N 2.89Å; L71-A73 PolarHBondContact O-N 3Å; L71-A73 VanDerWaalsContact O-N 3.14Å
72P42.3Very low45.7Very low114 Ų114135.3 Ų135.374%0.7480%0.795SS**PPolyproline II helixtrans-60.9117.9170.6-21.733.2000109.9H74P72-H74 PolarHBondContact O-N 2.83Å; P72-H74 VanDerWaalsContact O-N 3.14Å
73A45.5Very low45.7Very low96 Ų96134.1 Ų134.179%0.79380%0.796SS**  trans-64.1115.4172.500000109L71 P75L71-A73 PolarHBondContact O-N 3Å; L71-A73 VanDerWaalsContact O-N 3.14Å; A73-P75 WeakPolarHBondContact O-CD 3.33Å
74H45.2Very low45.8Very low182 Ų182130.7 Ų130.784%0.84379%0.791SS**PPolyproline II helixtrans-61.6123.3170.5-98.7-94.7000109.1P72 E76P72-H74 PolarHBondContact O-N 2.83Å; P72-H74 VanDerWaalsContact O-N 3.14Å; H74-E76 PolarHBondContact O-N 2.91Å
75P46.7Very low46.2Very low117 Ų117128.1 Ų128.176%0.7679%0.785SS**PPolyproline II helixtrans-66.6130.5168.428.1-32.5000109A73A73-P75 WeakPolarHBondContact O-CD 3.33Å
76E54.1Low45.9Very low180 Ų180131.8 Ų131.884%0.84179%0.791SS**PPolyproline II helixtrans-61.9135.8177.5-163.9178132.800110.2H74 A78H74-E76 PolarHBondContact O-N 2.91Å; E76-A78 PolarHBondContact O-N 3.27Å
77P42.6Very low46.3Very low122 Ų122129.2 Ų129.279%0.79279%0.788SS**  trans-72.790.8-17629.1-35000111.1S79P77-S79 PolarHBondContact O-N 3.38Å; P77-S79 VanDerWaalsContact O-N 3.09Å
78A46.6Very low45.8Very low97 Ų97134.1 Ų134.180%0.80279%0.793SS**  trans-54.3114.4177.100000111.5E76E76-A78 PolarHBondContact O-N 3.27Å
79S52Low46Very low106 Ų106136.6 Ų136.674%0.74180%0.797SS**PPolyproline II helixtrans-61.8127.3176.254.90000110.6P77P77-S79 PolarHBondContact O-N 3.38Å; P77-S79 VanDerWaalsContact O-N 3.09Å
80P46.5Very low46.3Very low112 Ų112139 Ų13973%0.72780%0.801SS**PPolyproline II helixtrans-66.6140.4179.927.3-34.2000111
81P45Very low46.2Very low126 Ų126138.3 Ų138.382%0.81880%0.795SS**PPolyproline II helixtrans-67.7140.6178.328.3-34.5000111.1A83P81-A83 PolarHBondContact O-N 3.44Å
82L46.2Very low46.1Very low169 Ų169138.5 Ų138.589%0.88579%0.792SS**PPolyproline II helixtrans-66.3129174.4-74.275.9000109.7
83A46.3Very low46.7Very low94 Ų94137.2 Ų137.278%0.77778%0.783SS**PPolyproline II helixtrans-70.4129.1175.400000110.7P81P81-A83 PolarHBondContact O-N 3.44Å
84P41.9Very low46.6Very low128 Ų128140.9 Ų140.983%0.83178%0.783SS**PPolyproline II helixtrans-73.9131.617729.8-33.7000110.9
85S52.8Low46.5Very low106 Ų106140.7 Ų140.774%0.74179%0.785SS**PPolyproline II helixtrans-85.7126.6174.2490000111.3
86Q37.8Very low46.5Very low181 Ų181138 Ų13885%0.84677%0.772SS**  trans-147.7141.4155.7-81.9-54.3-75.700110.6
87P55.9Low46Very low106 Ų106138.3 Ų138.369%0.68877%0.774SS**  trans-102.4154.2173.638.1-32000112.6
88Y37.4Very low46.1Very low221 Ų221141.5 Ų141.587%0.86778%0.776SS**  -168.2161.9123.370.1-78.8000111.3
89Y46.1Very low46.1Very low215 Ų215142 Ų14284%0.84377%0.77SS**  trans-94.1142.7172.7-86.2-109.6000110.5
90L45.2Very low46Very low161 Ų161143.8 Ų143.884%0.84378%0.78SS**  -157.9156.8114.4-135.662.7000113.2
91T46.9Very low46.4Very low107 Ų107148.2 Ų148.266%0.65678%0.783SS**  trans-70.5156.9-174.5-140000113.8
92E45.9Very low46.5Very low169 Ų169151 Ų15179%0.7978%0.779SS**  -161.4160.4105-94.5-54.186.600110.8
93P53.5Low46.9Very low87 Ų87152.1 Ų152.157%0.56578%0.777SS**  trans-98.8146.3-16536.8-34.3000114.6
94H44.8Very low46.5Very low172 Ų172152.2 Ų152.280%0.79677%0.769SS**  trans-143.280.1153.3-159.2-79.9000111A96H94-A96 PolarHBondContact O-N 2.27Å
95M41.8Very low46.8Very low179 Ų179151.7 Ų151.788%0.88277%0.769SS**  trans-72.877.6174.2-72.5-71144.300110.2
96A46.3Very low46.8Very low59 Ų59156.9 Ų156.949%0.48877%0.773SS.*PPolyproline II helixtrans-68.6133.2168.400000109.8H94 F98H94-A96 PolarHBondContact O-N 2.27Å; A96-F98 PolarHBondContact O-N 2.67Å
97E44.4Very low47.1Very low187 Ų187151.8 Ų151.887%0.87476%0.763SS**PPolyproline II helixtrans-65.8118.3-173.3-69.8134.999.400113.1
98F44.8Very low46.4Very low190 Ų190157.4 Ų157.483%0.83377%0.77SS**PPolyproline II helixtrans-94.4122156-77.9-87.7000108.8A96A96-F98 PolarHBondContact O-N 2.67Å
99P47.5Very low46.7Very low106 Ų106154 Ų15469%0.68876%0.762SS**PPolyproline II helixtrans-58.8135.1179.7-26.535.1000112.2Y101P99-Y101 PolarHBondContact O-N 3.29Å
100P48.7Very low46.5Very low144 Ų144149.1 Ų149.194%0.93576%0.757SS**  trans-79.664.3-176.633.7-37.2000111.6
101Y56.1Low46.3Very low205 Ų205147.5 Ų147.580%0.80475%0.754SS**  trans-107.5129.8178.9-158.4-97.7000112.7P99P99-Y101 PolarHBondContact O-N 3.29Å
102Y47.1Very low46.4Very low186 Ų186148 Ų14873%0.72976%0.762SS**  trans79.772.3177.6-139.2-92000117.9P104Y102-P104 HydrophobicContact CD1-CG 4.18Å; Y102-P104 HydrophobicContact CE1-CG 4.04Å
103K52.8Low46Very low192 Ų192144.2 Ų144.284%0.83575%0.753SS**  trans-96.1114.6159.7-168.1175.8-174.4179.30108.8S105K103-S105 PolarHBondContact O-N 2.79Å; K103-S105 VanDerWaalsContact O-N 3.13Å
104P38Very low45.7Very low96 Ų96145.8 Ų145.862%0.62377%0.766SS**  trans-68.5109.5-178.6-21.333.5000112Y102 Y106Y102-P104 HydrophobicContact CD1-CG 4.18Å; Y102-P104 HydrophobicContact CE1-CG 4.04Å; P104-Y106 PolarHBondContact O-N 3.28Å
105S48.6Very low45.7Very low117 Ų117147 Ų14782%0.81877%0.765SS**  trans-76.769.9175.9-65.30000112K103K103-S105 PolarHBondContact O-N 2.79Å; K103-S105 VanDerWaalsContact O-N 3.13Å
106Y53.7Low45.8Very low214 Ų214146.5 Ų146.584%0.83976%0.761SS**  trans-125.637.4164.4-117.4-88000112P104 W108P104-Y106 PolarHBondContact O-N 3.28Å; Y106-W108 PolarHBondContact O-N 3.13Å
107A43.3Very low45.9Very low75 Ų75150.8 Ų150.862%0.6278%0.775SS**  trans-64.9114.4151.700000107.5E109A107-E109 PolarHBondContact O-N 2.86Å
108W41.9Very low46.4Very low224 Ų224152.3 Ų152.385%0.84877%0.773SS**  trans-78.762.5174.342.6-86.4000109.7Y106 P110Y106-W108 PolarHBondContact O-N 3.13Å; W108-P110 WeakPolarHBondContact O-CD 3.44Å; W108-P110 VanDerWaalsContact O-N 3.15Å
109E43.3Very low46.9Very low149 Ų149152.1 Ų152.170%0.69677%0.774SS**  trans-52.2120.2164.5-68.1-64.9119.700107.8A107 V111A107-E109 PolarHBondContact O-N 2.86Å; E109-V111 VanDerWaalsContact C-N 3.27Å; E109-V111 PolarHBondContact O-N 3.26Å
110P42Very low47.4Very low113 Ų113153 Ų15373%0.73477%0.773SS**  trans-7386.8-178.729.1-33.6000109W108 S112W108-P110 WeakPolarHBondContact O-CD 3.44Å; W108-P110 VanDerWaalsContact O-N 3.15Å; P110-S112 PolarHBondContact O-N 3.15Å
111V41.9Very low47.6Very low127 Ų127151.8 Ų151.877%0.7777%0.768SS**  trans-59110.4174.6177.20000108.4E109 S113E109-V111 VanDerWaalsContact C-N 3.27Å; E109-V111 PolarHBondContact O-N 3.26Å; V111-S113 PolarHBondContact O-N 3.47Å
112S47.3Very low47.7Very low118 Ų118147.6 Ų147.683%0.82575%0.754SS**  trans-62.683.7169.4-65.20000109.8P110 S114P110-S112 PolarHBondContact O-N 3.15Å; S112-S114 PolarHBondContact O-N 3.08Å; S112-S114 VanDerWaalsContact O-N 3.09Å
113S39.2Very low48Very low88 Ų88141.5 Ų141.562%0.61574%0.738SS**  trans-60.4112.8176.3-176.20000109V111 Y115V111-S113 PolarHBondContact O-N 3.47Å; S113-Y115 PolarHBondContact O-N 3.33Å
114S45.3Very low48.4Very low120 Ų120137 Ų13784%0.83973%0.728SS**  trans-72.58.8179.851.40000113.8S112 E116S112-S114 PolarHBondContact O-N 3.08Å; S112-S114 VanDerWaalsContact O-N 3.09Å; S114-E116 PolarHBondContact O-N 3.28Å
115Y46Very low49.5Very low197 Ų197137.3 Ų137.377%0.77373%0.729SS**  trans-71.995.4160.8-96-92.2000109.8S113 L117S113-Y115 PolarHBondContact O-N 3.33Å; Y115-L117 PolarHBondContact O-N 3.11Å
116E43.3Very low50Low170 Ų170135.1 Ų135.179%0.79471%0.711SS**  trans-50.986154.9-93.5-75.3127.900109.7S114 R118S114-E116 PolarHBondContact O-N 3.28Å; E116-R118 PolarHBondContact O-N 3.28Å
117L49.5Very low50.2Low149 Ų149130 Ų13078%0.7870%0.697SS**  trans-6393.4162.2-86.7171.1000106.6Y115 Q119Y115-L117 PolarHBondContact O-N 3.11Å; L117-Q119 PolarHBondContact O-N 3.34Å
118R53.3Low50.9Low219 Ų219132.8 Ų132.883%0.82670%0.697SS**  trans-45.6109.8170.4-72.3-172.1-177.7-168.71.7107.8E116 L120E116-R118 PolarHBondContact O-N 3.28Å; R118-L120 PolarHBondContact O-N 3.3Å
119Q55.4Low51.3Low186 Ų186127.6 Ų127.687%0.86968%0.682SS**  trans-70.586.5178.4-64.1-173.413.400107.6L117 S121L117-Q119 PolarHBondContact O-N 3.34Å; Q119-S121 VanDerWaalsContact C-N 3.3Å; Q119-S121 PolarHBondContact O-N 2.86Å
120L58.3Low51.6Low124 Ų124122.5 Ų122.565%0.64967%0.666SS**  trans-61100.8165.6-70.3175.5000106R118 F122R118-L120 PolarHBondContact O-N 3.3Å; L120-F122 HydrophobicContact CB-CD2 3.94Å; L120-F122 HydrophobicContact CB-CE2 3.5Å; L120-F122 HydrophobicContact CB-CZ 3.89Å; L120-F122 HydrophobicContact CD1-CE2 4Å; L120-F122 HydrophobicContact CD1-CZ 3.89Å; L120-F122 HydrophobicContact CG-CE2 4.41Å; L120-F122 VanDerWaalsContact O-CD2 3.25Å; L120-F122 WeakPolarHBondContact O-CD2 3.12Å; L120-F122 PolarHBondContact O-N 3.24Å
121S53.8Low52.3Low119 Ų119120.6 Ų120.683%0.83266%0.655SS**  trans-73.262.3-176.943.70000110.6Q119 S123Q119-S121 VanDerWaalsContact C-N 3.3Å; Q119-S121 PolarHBondContact O-N 2.86Å; S121-S123 PolarHBondContact O-N 3.42Å
122F57.8Low53Low116 Ų116118.9 Ų118.951%0.50965%0.648SS.*  trans-56113.5168.1-65.4-64000108.1L120 V126 L127L120-F122 HydrophobicContact CB-CD2 3.94Å; L120-F122 HydrophobicContact CB-CE2 3.5Å; L120-F122 HydrophobicContact CB-CZ 3.89Å; L120-F122 HydrophobicContact CD1-CE2 4Å; L120-F122 HydrophobicContact CD1-CZ 3.89Å; L120-F122 HydrophobicContact CG-CE2 4.41Å; L120-F122 VanDerWaalsContact O-CD2 3.25Å; L120-F122 WeakPolarHBondContact O-CD2 3.12Å; L120-F122 PolarHBondContact O-N 3.24Å; F122-V126 HydrophobicContact CB-CB 4.26Å; F122-V126 HydrophobicContact CB-CG1 4.33Å; F122-V126 HydrophobicContact CD1-CG1 3.87Å; F122-V126 HydrophobicContact CG-CG1 4.41Å; F122-L127 HydrophobicContact CB-CG 4.3Å
123S53.7Low53.3Low58 Ų58118.9 Ų118.941%0.40664%0.639SS.*  trans-46.6142.7170.8171.10000109.8S121 T125 V126 L127S121-S123 PolarHBondContact O-N 3.42Å; S123-T125 PolarHBondContact O-N 3.22Å; S123-T125 PolarHBondContact OG-OG1 3.42Å; S123-V126 WeakPolarHBondContact O-CA 3.3Å; S123-V126 WeakPolarHBondContact O-CB 3.41Å; S123-V126 PolarHBondContact O-N 3.22Å; S123-L127 PolarHBondContact O-N 3.16Å
124P60.9Low53.9Low97 Ų97124.5 Ų124.563%0.6365%0.648SS**Hα-helixtrans-51-32.4-179.618.4-32.2000112.7V126 L127 Q128P124-V126 VanDerWaalsContact C-N 3.29Å; P124-V126 PolarHBondContact O-N 3.05Å; P124-L127 PolarHBondContact O-N 3.42Å; P124-Q128 WeakPolarHBondContact O-CB 3.04Å; P124-Q128 PolarHBondContact O-N 3.24Å
125T61Low54.1Low103 Ų103120.9 Ų120.963%0.63263%0.63SS**Hα-helixtrans-58.4-35.3173.8-24.50000113.6S123 Q128 H129S123-T125 PolarHBondContact O-N 3.22Å; S123-T125 PolarHBondContact OG-OG1 3.42Å; T125-Q128 WeakPolarHBondContact O-CB 3.3Å; T125-H129 WeakPolarHBondContact O-CB 3.3Å; T125-H129 PolarHBondContact O-N 3.44Å
126V60.1Low54.6Low72 Ų72114.4 Ų114.444%0.43662%0.623SS.*Hα-helixtrans-74.7-37.4178.9-179.10000110.9F122 S123 P124 H129 A130F122-V126 HydrophobicContact CB-CB 4.26Å; F122-V126 HydrophobicContact CB-CG1 4.33Å; F122-V126 HydrophobicContact CD1-CG1 3.87Å; F122-V126 HydrophobicContact CG-CG1 4.41Å; S123-V126 WeakPolarHBondContact O-CA 3.3Å; S123-V126 WeakPolarHBondContact O-CB 3.41Å; S123-V126 PolarHBondContact O-N 3.22Å; P124-V126 VanDerWaalsContact C-N 3.29Å; P124-V126 PolarHBondContact O-N 3.05Å; V126-H129 PolarHBondContact O-N 3.13Å; V126-A130 WeakPolarHBondContact O-CB 3.29Å; V126-A130 PolarHBondContact O-N 3.17Å
127L57.4Low55.1Low106 Ų106112.8 Ų112.856%0.55562%0.615SS**Hα-helixtrans-67.1-38.7171.7-73164000111.5F122 S123 P124 H129 S131F122-L127 HydrophobicContact CB-CG 4.3Å; S123-L127 PolarHBondContact O-N 3.16Å; P124-L127 PolarHBondContact O-N 3.42Å; L127-H129 VanDerWaalsContact C-N 3.32Å; L127-H129 PolarHBondContact O-N 2.95Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.75Å; L127-S131 PolarHBondContact O-OG 3.21Å
128Q58Low55.4Low133 Ų133109.2 Ų109.262%0.62160%0.596SS**Hα-helixtrans-61-40.3171.3-148.591.735.300111.6P124 T125 S131 S132P124-Q128 WeakPolarHBondContact O-CB 3.04Å; P124-Q128 PolarHBondContact O-N 3.24Å; T125-Q128 WeakPolarHBondContact O-CB 3.3Å; Q128-S131 WeakPolarHBondContact CA-OG 3.49Å; Q128-S131 PolarHBondContact O-OG 2.81Å; Q128-S131 VanDerWaalsContact O-OG 3.06Å; Q128-S132 WeakPolarHBondContact O-CB 3.49Å; Q128-S132 PolarHBondContact O-N 2.94Å; Q128-S132 VanDerWaalsContact O-N 3.1Å; Q128-S132 PolarHBondContact O-OG 3.02Å
129H49.8Very low55.5Low116 Ų116101.8 Ų101.854%0.53758%0.577SS.*Hα-helixtrans-73.5-42.4179-160.3-98.8000112.1T125 V126 L127 S131 S132 L133T125-H129 WeakPolarHBondContact O-CB 3.3Å; T125-H129 PolarHBondContact O-N 3.44Å; V126-H129 PolarHBondContact O-N 3.13Å; L127-H129 VanDerWaalsContact C-N 3.32Å; L127-H129 PolarHBondContact O-N 2.95Å; H129-S131 PolarHBondContact O-N 2.83Å; H129-S132 CarbonylContact O-C 3.57Å; H129-S132 WeakPolarHBondContact O-CA 3.48Å; H129-S132 WeakPolarHBondContact O-CB 3.47Å; H129-S132 PolarHBondContact O-N 3.45Å; H129-L133 WeakPolarHBondContact ND1-CD1 3.44Å; H129-L133 WeakPolarHBondContact O-CG 3.42Å; H129-L133 PolarHBondContact O-N 3.31Å
130A49.8Very low55.4Low42 Ų42101.3 Ų101.335%0.34757%0.567SS.*Hα-helixtrans-62.5-42.2175.800000112V126 S132 L133 Y134V126-A130 WeakPolarHBondContact O-CB 3.29Å; V126-A130 PolarHBondContact O-N 3.17Å; A130-S132 PolarHBondContact O-N 3.34Å; A130-L133 PolarHBondContact O-N 2.89Å; A130-Y134 PolarHBondContact O-N 3.14Å
131S56.1Low55.1Low72 Ų7298.2 Ų98.250%0.50356%0.557SS.*Hα-helixtrans-68.7-20.7172.852.90000113.5L127 Q128 H129 G135L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.75Å; L127-S131 PolarHBondContact O-OG 3.21Å; Q128-S131 WeakPolarHBondContact CA-OG 3.49Å; Q128-S131 PolarHBondContact O-OG 2.81Å; Q128-S131 VanDerWaalsContact O-OG 3.06Å; H129-S131 PolarHBondContact O-N 2.83Å; S131-G135 WeakPolarHBondContact O-CA 3.39Å; S131-G135 PolarHBondContact O-N 3.13Å
132S56.4Low54.7Low91 Ų9198.1 Ų98.164%0.63655%0.553SS**Hα-helixtrans-81.5-29.3170.3-57.70000113.3Q128 H129 A130Q128-S132 WeakPolarHBondContact O-CB 3.49Å; Q128-S132 PolarHBondContact O-N 2.94Å; Q128-S132 VanDerWaalsContact O-N 3.1Å; Q128-S132 PolarHBondContact O-OG 3.02Å; H129-S132 CarbonylContact O-C 3.57Å; H129-S132 WeakPolarHBondContact O-CA 3.48Å; H129-S132 WeakPolarHBondContact O-CB 3.47Å; H129-S132 PolarHBondContact O-N 3.45Å; A130-S132 PolarHBondContact O-N 3.34Å
133L53.7Low54.2Low119 Ų11997.3 Ų97.362%0.62356%0.559SS**Hα-helixtrans-82.8-34177.9-70.6174.5000113.3H129 A130H129-L133 WeakPolarHBondContact ND1-CD1 3.44Å; H129-L133 WeakPolarHBondContact O-CG 3.42Å; H129-L133 PolarHBondContact O-N 3.31Å; A130-L133 PolarHBondContact O-N 2.89Å
134Y51.6Low53.8Low206 Ų20697.4 Ų97.481%0.80856%0.559SS**SBendtrans-109.11.1-180-66.9-80.6000113.7A130 G136A130-Y134 PolarHBondContact O-N 3.14Å; Y134-G136 VanDerWaalsContact C-N 3.28Å; Y134-G136 PolarHBondContact O-N 3.26Å
135G50.9Low52.8Low44 Ų44101.6 Ų101.645%0.45457%0.57SS.*  trans-7276.5174.700000112.2S131 H137S131-G135 WeakPolarHBondContact O-CA 3.39Å; S131-G135 PolarHBondContact O-N 3.13Å; G135-H137 PolarHBondContact O-N 3.04Å
136G56.6Low51.9Low61 Ų61103.9 Ų103.963%0.62957%0.573SS**  trans-52133.7-177.900000112.7Y134 I138Y134-G136 VanDerWaalsContact C-N 3.28Å; Y134-G136 PolarHBondContact O-N 3.26Å; G136-I138 PolarHBondContact O-N 3.28Å
137H53.4Low51.2Low136 Ų136104.8 Ų104.863%0.6358%0.581SS**SBendtrans-62.68.5-168-57.9-74.5000116.9G135 S139 S193G135-H137 PolarHBondContact O-N 3.04Å; H137-S139 PolarHBondContact O-N 3.35Å; H137-S193 PolarHBondContact O-OG 3.28Å
138I54.5Low51Low73 Ų73105.7 Ų105.737%0.37459%0.585SS.*EExtended strand (participates in β ladder)trans-8686-177.5-60.2171000109G136 R140 L205G136-I138 PolarHBondContact O-N 3.28Å; I138-R140 HydrophobicContact CG2-CG 3.98Å; I138-R140 PolarHBondContact O-N 2.89Å; I138-L205 HydrophobicContact CG2-CD2 3.95Å
139S56.5Low50.4Low63 Ų63104.7 Ų104.744%0.44158%0.584SS.*EExtended strand (participates in β ladder)trans-68.383.6165.4-61.70000110H137 S141 G191H137-S139 PolarHBondContact O-N 3.35Å; S139-S141 PolarHBondContact O-N 2.88Å; S139-G191 PolarHBondContact O-N 3.3Å
140R53.2Low50.6Low176 Ų176104.3 Ų104.366%0.66459%0.593SS**EExtended strand (participates in β ladder)trans-60.3124.9159.7-61.3-169.1-179.5-143.50.2107I138 F190I138-R140 HydrophobicContact CG2-CG 3.98Å; I138-R140 PolarHBondContact O-N 2.89Å; R140-F190 HydrophobicContact CG-CD1 4.5Å; R140-F190 HydrophobicContact CG-CE1 4.49Å
141S51.1Low51.3Low60 Ų60103.9 Ų103.942%0.4259%0.588SS.*PPolyproline II helixtrans-55.9144165.4-58.50000108.6S139 P189S139-S141 PolarHBondContact O-N 2.88Å; S141-P189 PolarHBondContact N-O 3.23Å; S141-P189 VanDerWaalsContact N-O 3.12Å; S141-P189 PolarHBondContact OG-O 2.9Å
142P46.7Very low52.2Low116 Ų116104.4 Ų104.475%0.75359%0.588SS**PPolyproline II helixtrans-49.9134.2171-26.134.7000109.4P144P142-P144 WeakPolarHBondContact O-CD 3.28Å
143P45.8Very low53.4Low100 Ų100105.3 Ų105.365%0.64958%0.582SS**PPolyproline II helixtrans-57.6127.2177.424.3-32.6000108.1Q145P143-Q145 PolarHBondContact O-N 3.49Å
144P45.6Very low54.8Low60 Ų60104.2 Ų104.239%0.3957%0.57SS.*PPolyproline II helixtrans-53.6128.5179.8-25.433.1000110P142 Q146 M187P142-P144 WeakPolarHBondContact O-CD 3.28Å; P144-Q146 HydrophobicContact CB-CB 4.34Å; P144-Q146 HydrophobicContact CB-CG 4.48Å; P144-Q146 PolarHBondContact O-N 3.14Å; P144-M187 HydrophobicContact CB-CE 4.37Å; P144-M187 HydrophobicContact CG-CE 3.61Å; P144-M187 HydrophobicContact CG-SD 4.31Å
145Q41.1Very low56.4Low184 Ų18495.5 Ų95.586%0.8654%0.539SS*.SBendtrans-74.65.4172.8-68-70.7-61.600112.1P143P143-Q145 PolarHBondContact O-N 3.49Å
146Q41.2Very low57.7Low152 Ų15297.8 Ų97.871%0.7155%0.546SS*.SBendtrans-70.2132.7165-59.6-79.7-101.300108.3P144P144-Q146 HydrophobicContact CB-CB 4.34Å; P144-Q146 HydrophobicContact CB-CG 4.48Å; P144-Q146 PolarHBondContact O-N 3.14Å
147P46.1Very low59Low91 Ų91101.5 Ų101.559%0.59156%0.557SS**  trans-51.2142.5168.7-25.835.4000111.2D149P147-D149 PolarHBondContact O-N 3.24Å
148L53.6Low60.4Low125 Ų12598 Ų9865%0.65455%0.547SS*.  trans-8177.8169.5-72.1163.3000107.5C150L148-C150 PolarHBondContact O-N 3.14Å
149D45Very low61.9Low112 Ų11299.3 Ų99.360%0.59956%0.555SS**  trans-60.8104.6-166.7-77.9-55.3000113.2P147 S151P147-D149 PolarHBondContact O-N 3.24Å; D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 PolarHBondContact O-OG 3.12Å
150C52.9Low63.3Low107 Ų10797.4 Ų97.472%0.72354%0.541SS*.SBendtrans48.39.6150.164.20000120L148 T152 I164L148-C150 PolarHBondContact O-N 3.14Å; C150-T152 VanDerWaalsContact C-N 3.31Å; C150-T152 PolarHBondContact O-N 3.34Å; C150-I164 VanDerWaalsContact O-CD1 3.26Å; C150-I164 WeakPolarHBondContact O-CD1 3.47Å
151S65.4Low64.9Low34 Ų3492.2 Ų92.224%0.23852%0.522CS..  trans-87.214.3-173.1-58.60000115.2D149 I164D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 PolarHBondContact O-OG 3.12Å; S151-I164 PolarHBondContact O-N 3.42Å
152T75.7Confident66.6Low83 Ų8392 Ų9251%0.50951%0.514SS..EExtended strand (participates in β ladder)trans-127.7123.5-174.763.40000112.8C150 L176 V180C150-T152 VanDerWaalsContact C-N 3.31Å; C150-T152 PolarHBondContact O-N 3.34Å; T152-L176 HydrophobicContact CG2-CD1 4.44Å; T152-L176 HydrophobicContact CG2-CD2 3.54Å; T152-L176 HydrophobicContact CG2-CG 3.76Å; T152-V180 HydrophobicContact CG2-CG2 4.48Å
153H80.5Confident68.5Low109 Ų10986.5 Ų86.551%0.50548%0.479SS..EExtended strand (participates in β ladder)trans-114.5136.6175.1-178.8-97000111.3H162 I164H153-H162 HydrophobicContact CB-CB 4.34Å; H153-H162 PolarHBondContact N-O 3.32Å; H153-H162 PolarHBondContact O-N 2.88Å; H153-I164 HydrophobicContact CB-CD1 4.05Å; H153-I164 HydrophobicContact CB-CG1 3.97Å
154Y84Confident70.3Confident97 Ų9786.4 Ų86.438%0.3847%0.472SS..EExtended strand (participates in β ladder)trans-102.4127.4174.4171.7-109.8000110.6P156 N159 T160 Y161Y154-P156 HydrophobicContact CE1-CB 3.84Å; Y154-P156 VanDerWaalsContact O-CD 3.29Å; Y154-P156 WeakPolarHBondContact O-CD 3.44Å; Y154-N159 PolarHBondContact OH-OD1 3.29Å; Y154-T160 WeakPolarHBondContact CD2-O 3.48Å; Y154-Y161 HydrophobicContact CD2-CD1 4.08Å; Y154-Y161 AromaticContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE2 4.36Å; Y154-Y161 HydrophobicContact CD2-CG 4.49Å; Y154-Y161 AromaticContact CD2-CZ 3.95Å; Y154-Y161 HydrophobicContact CE2-CE1 4.48Å; Y154-Y161 HydrophobicContact CE2-CE2 4.46Å
155S83.8Confident72Confident22 Ų2287.3 Ų87.315%0.15448%0.476CS..EExtended strand (participates in β ladder)trans-97.5103.8174.7178.30000109.9T157 S158 N159 T160 H162S155-T157 VanDerWaalsContact C-N 3.27Å; S155-T157 PolarHBondContact O-N 2.74Å; S155-S158 WeakPolarHBondContact CB-OG 3.46Å; S155-S158 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact OG-OG 3.34Å; S155-N159 VanDerWaalsContact O-CA 3.31Å; S155-N159 WeakPolarHBondContact O-CA 3.39Å; S155-N159 PolarHBondContact O-N 3.45Å; S155-T160 PolarHBondContact N-O 2.86Å; S155-T160 PolarHBondContact O-N 3.35Å; S155-H162 WeakPolarHBondContact CB-NE2 3.34Å
156P78.3Confident74.1Confident93 Ų9380.4 Ų80.460%0.60445%0.448SS*.THydrogen-bonded Turntrans-66.1-29.7177.626.2-34.2000112.6Y154 S158Y154-P156 HydrophobicContact CE1-CB 3.84Å; Y154-P156 VanDerWaalsContact O-CD 3.29Å; Y154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-S158 PolarHBondContact O-N 3.43Å
157T84.9Confident76.1Confident139 Ų13979.3 Ų79.385%0.85345%0.447SS*.THydrogen-bonded Turntrans-64.2-27.7-179.9-42.20000113.3S155S155-T157 VanDerWaalsContact C-N 3.27Å; S155-T157 PolarHBondContact O-N 2.74Å
158S82.8Confident78Confident61 Ų6180 Ų8043%0.42744%0.441SS..THydrogen-bonded Turntrans-119.9-4.2-179.557.40000113.7S155 P156 T160 H162S155-S158 WeakPolarHBondContact CB-OG 3.46Å; S155-S158 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact OG-OG 3.34Å; P156-S158 PolarHBondContact O-N 3.43Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-T160 PolarHBondContact O-N 3.4Å; S158-T160 PolarHBondContact OG-OG1 2.95Å; S158-H162 PolarHBondContact OG-NE2 3.37Å
159N85.2Confident79.7Confident101 Ų10177.8 Ų77.854%0.5443%0.432SS..THydrogen-bonded Turntrans49.152.8-171.3-159.4-18.8000112.2Y154 S155Y154-N159 PolarHBondContact OH-OD1 3.29Å; S155-N159 VanDerWaalsContact O-CA 3.31Å; S155-N159 WeakPolarHBondContact O-CA 3.39Å; S155-N159 PolarHBondContact O-N 3.45Å
160T86.8Confident81.7Confident24 Ų2474.8 Ų74.815%0.14741%0.414CS..EExtended strand (participates in β ladder)trans-133.2158-178.655.50000112.7Y154 S155 S158 H162 V169Y154-T160 WeakPolarHBondContact CD2-O 3.48Å; S155-T160 PolarHBondContact N-O 2.86Å; S155-T160 PolarHBondContact O-N 3.35Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-T160 PolarHBondContact O-N 3.4Å; S158-T160 PolarHBondContact OG-OG1 2.95Å; T160-H162 WeakPolarHBondContact CB-NE2 3.5Å; T160-H162 PolarHBondContact O-CD2 3.08Å; T160-H162 PolarHBondContact O-NE2 2.77Å; T160-H162 PolarHBondContact OG1-NE2 3.19Å; T160-V169 HydrophobicContact CG2-CG1 3.84Å
161Y87.2Confident83.3Confident66 Ų6674.5 Ų74.526%0.25941%0.413SS..EExtended strand (participates in β ladder)trans-110.6129.3-177.4-59.9-93.4000109.2Y154 V169 F170 T172Y154-Y161 HydrophobicContact CD2-CD1 4.08Å; Y154-Y161 AromaticContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE2 4.36Å; Y154-Y161 HydrophobicContact CD2-CG 4.49Å; Y154-Y161 AromaticContact CD2-CZ 3.95Å; Y154-Y161 HydrophobicContact CE2-CE1 4.48Å; Y154-Y161 HydrophobicContact CE2-CE2 4.46Å; Y161-V169 CarbonylContact O-C 3.57Å; Y161-V169 WeakPolarHBondContact O-CA 3.37Å; Y161-F170 PolarHBondContact N-O 2.84Å; Y161-F170 PolarHBondContact O-N 3.39Å; Y161-T172 VanDerWaalsContact CD2-C 3.4Å
162H86.1Confident84.3Confident56 Ų5676.3 Ų76.326%0.25942%0.423SS..EExtended strand (participates in β ladder)trans-119134.2-171.2-61.7-106000110.4H153 S155 S158 T160 K168 V169 L176H153-H162 HydrophobicContact CB-CB 4.34Å; H153-H162 PolarHBondContact N-O 3.32Å; H153-H162 PolarHBondContact O-N 2.88Å; S155-H162 WeakPolarHBondContact CB-NE2 3.34Å; S158-H162 PolarHBondContact OG-NE2 3.37Å; T160-H162 WeakPolarHBondContact CB-NE2 3.5Å; T160-H162 PolarHBondContact O-CD2 3.08Å; T160-H162 PolarHBondContact O-NE2 2.77Å; T160-H162 PolarHBondContact OG1-NE2 3.19Å; H162-K168 WeakPolarHBondContact CA-O 3.39Å; H162-V169 WeakPolarHBondContact CE1-CG2 3.39Å; H162-L176 WeakPolarHBondContact O-CD2 3.45Å
163C87.1Confident84.7Confident0 Ų075.7 Ų75.70%042%0.422CS..EExtended strand (participates in β ladder)trans-82.1117.3169.9-175.80000110.2T165 C166 D167 K168 L176 H184C163-T165 PolarHBondContact O-N 3.16Å; C163-C166 PolarHBondContact O-N 2.92Å; C163-D167 VanDerWaalsContact O-CA 3.28Å; C163-D167 WeakPolarHBondContact O-CA 3.49Å; C163-D167 PolarHBondContact O-N 2.96Å; C163-K168 PolarHBondContact N-O 2.75Å; C163-L176 HydrophobicContact CB-CD1 3.51Å; C163-H184 PolarHBondContact SG-NE2 2.78Å; C163-H184 VanDerWaalsContact SG-NE2 3.45Å
164I82.9Confident84.8Confident98 Ų9875.2 Ų75.250%0.50342%0.42SS..THydrogen-bonded Turntrans-65.7-24-179.5-67.3164.1000111.7C150 S151 H153C150-I164 VanDerWaalsContact O-CD1 3.26Å; C150-I164 WeakPolarHBondContact O-CD1 3.47Å; S151-I164 PolarHBondContact O-N 3.42Å; H153-I164 HydrophobicContact CB-CD1 4.05Å; H153-I164 HydrophobicContact CB-CG1 3.97Å
165T81.3Confident84.7Confident79 Ų7971.8 Ų71.849%0.48541%0.413SS..THydrogen-bonded Turntrans-80.7-17.7-177.5-32.60000113.9C163C163-T165 PolarHBondContact O-N 3.16Å
166C86.3Confident84.8Confident39 Ų3970.8 Ų70.826%0.26441%0.407SS..THydrogen-bonded Turntrans-159.321.4-178.4680000116C163 K168 H179 H184C163-C166 PolarHBondContact O-N 2.92Å; C166-K168 PolarHBondContact O-N 3.07Å; C166-K168 VanDerWaalsContact SG-CE 3.54Å; C166-H179 PolarHBondContact SG-NE2 3.09Å; C166-H184 PolarHBondContact SG-NE2 2.83Å; C166-H184 VanDerWaalsContact SG-NE2 3.43Å
167D82.8Confident84.9Confident130 Ų13069.5 Ų69.570%0.69539%0.392SS*.  trans51.220.2175.8-60.5-52.4000116.6C163 V169C163-D167 VanDerWaalsContact O-CA 3.28Å; C163-D167 WeakPolarHBondContact O-CA 3.49Å; C163-D167 PolarHBondContact O-N 2.96Å; D167-V169 PolarHBondContact O-N 3.27Å
168K85.2Confident84.7Confident106 Ų10663.5 Ų63.546%0.46136%0.356SS..  trans-72.8129.5178.2-65.3-172-156.5-40.80110.6H162 C163 C166 F170H162-K168 WeakPolarHBondContact CA-O 3.39Å; C163-K168 PolarHBondContact N-O 2.75Å; C166-K168 PolarHBondContact O-N 3.07Å; C166-K168 VanDerWaalsContact SG-CE 3.54Å; K168-F170 HydrophobicContact CB-CE2 3.53Å; K168-F170 HydrophobicContact CB-CZ 3.79Å; K168-F170 WeakPolarHBondContact O-CD2 3.45Å; K168-F170 VanDerWaalsContact O-CE2 3.26Å; K168-F170 WeakPolarHBondContact O-CE2 3.41Å
169V88.6Confident84.8Confident78 Ų7861.5 Ų61.547%0.47334%0.339SS..EExtended strand (participates in β ladder)trans-97.4133.2-177.8-166.20000110.5T160 Y161 H162 D167T160-V169 HydrophobicContact CG2-CG1 3.84Å; Y161-V169 CarbonylContact O-C 3.57Å; Y161-V169 WeakPolarHBondContact O-CA 3.37Å; H162-V169 WeakPolarHBondContact CE1-CG2 3.39Å; D167-V169 PolarHBondContact O-N 3.27Å
170F87.1Confident84.7Confident49 Ų4958 Ų5822%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-128.7143.5179.7-58.5-90.6000110.2Y161 K168 T172 L176 H179Y161-F170 PolarHBondContact N-O 2.84Å; Y161-F170 PolarHBondContact O-N 3.39Å; K168-F170 HydrophobicContact CB-CE2 3.53Å; K168-F170 HydrophobicContact CB-CZ 3.79Å; K168-F170 WeakPolarHBondContact O-CD2 3.45Å; K168-F170 VanDerWaalsContact O-CE2 3.26Å; K168-F170 WeakPolarHBondContact O-CE2 3.41Å; F170-T172 VanDerWaalsContact C-N 3.28Å; F170-T172 PolarHBondContact O-N 3.43Å; F170-L176 HydrophobicContact CB-CB 4.23Å; F170-L176 HydrophobicContact CD2-CB 3.79Å; F170-L176 HydrophobicContact CD2-CD1 3.79Å; F170-L176 HydrophobicContact CD2-CG 4.35Å; F170-L176 HydrophobicContact CE2-CB 4.48Å; F170-L176 HydrophobicContact CE2-CD1 3.82Å; F170-L176 HydrophobicContact CG-CB 4.09Å; F170-H179 HydrophobicContact CE1-CB 3.89Å; F170-H179 HydrophobicContact CE2-CB 4.14Å; F170-H179 AromaticContact CE2-CD2 3.33Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.4Å; F170-H179 AromaticContact CE2-CG 3.93Å; F170-H179 HydrophobicContact CZ-CB 3.48Å; F170-H179 VanDerWaalsContact CZ-CB 3.48Å; F170-H179 AromaticContact CZ-CD2 3.26Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.46Å; F170-H179 AromaticContact CZ-CG 3.39Å
171S88.1Confident84.2Confident101 Ų10158.7 Ų58.771%0.70632%0.322SS*.SBendtrans-78.8-8.4174.853.10000113.9
172T85.6Confident83.7Confident72 Ų7259.7 Ų59.744%0.44233%0.325SS..SBendtrans-140.7145.6-178.959.70000111.6Y161 F170 H174 G175 L176Y161-T172 VanDerWaalsContact CD2-C 3.4Å; F170-T172 VanDerWaalsContact C-N 3.28Å; F170-T172 PolarHBondContact O-N 3.43Å; T172-H174 VanDerWaalsContact C-N 3.33Å; T172-H174 PolarHBondContact O-N 2.85Å; T172-G175 PolarHBondContact O-N 3Å; T172-G175 PolarHBondContact OG1-N 3.14Å; T172-L176 PolarHBondContact O-N 3.2Å
173S83.9Confident83.4Confident70 Ų7060.5 Ų60.549%0.4934%0.337SS..Hα-helixtrans-57.2-44.2174.150.70000112G175 L176 E177S173-G175 VanDerWaalsContact C-N 3.31Å; S173-G175 PolarHBondContact O-N 3.44Å; S173-L176 PolarHBondContact O-N 2.88Å; S173-E177 WeakPolarHBondContact O-CB 3.45Å; S173-E177 PolarHBondContact O-N 2.74Å
174H82.1Confident83Confident99 Ų9964.2 Ų64.246%0.45835%0.354SS..Hα-helixtrans-63.7-34.6178.1-171.854.5000112.8T172 E177 V178T172-H174 VanDerWaalsContact C-N 3.33Å; T172-H174 PolarHBondContact O-N 2.85Å; H174-E177 IonicContact CE1-OE2 3.57Å; H174-E177 IonicContact CG-OE2 3.83Å; H174-E177 IonicContact ND1-OE2 2.75Å; H174-E177 PolarHBondContact ND1-OE2 3Å; H174-V178 VanDerWaalsContact CE1-CG2 3.43Å; H174-V178 WeakPolarHBondContact CE1-CG2 3.47Å; H174-V178 VanDerWaalsContact O-CB 3.25Å; H174-V178 WeakPolarHBondContact O-CB 3.42Å; H174-V178 WeakPolarHBondContact O-CG2 3.38Å; H174-V178 PolarHBondContact O-N 3.23Å
175G83.6Confident82.6Confident24 Ų2463 Ų6325%0.24735%0.354CS..Hα-helixtrans-61.2-44.9173.400000112.3T172 S173 H179T172-G175 PolarHBondContact O-N 3Å; T172-G175 PolarHBondContact OG1-N 3.14Å; S173-G175 VanDerWaalsContact C-N 3.31Å; S173-G175 PolarHBondContact O-N 3.44Å; G175-H179 WeakPolarHBondContact O-CB 3.46Å; G175-H179 PolarHBondContact O-N 2.88Å
176L84.6Confident82.2Confident2 Ų261.7 Ų61.71%0.0136%0.356CS..Hα-helixtrans-67.5-47.5175.8173.958.1000112.3T152 H162 C163 F170 T172 S173 V178 H179 V180T152-L176 HydrophobicContact CG2-CD1 4.44Å; T152-L176 HydrophobicContact CG2-CD2 3.54Å; T152-L176 HydrophobicContact CG2-CG 3.76Å; H162-L176 WeakPolarHBondContact O-CD2 3.45Å; C163-L176 HydrophobicContact CB-CD1 3.51Å; F170-L176 HydrophobicContact CB-CB 4.23Å; F170-L176 HydrophobicContact CD2-CB 3.79Å; F170-L176 HydrophobicContact CD2-CD1 3.79Å; F170-L176 HydrophobicContact CD2-CG 4.35Å; F170-L176 HydrophobicContact CE2-CB 4.48Å; F170-L176 HydrophobicContact CE2-CD1 3.82Å; F170-L176 HydrophobicContact CG-CB 4.09Å; T172-L176 PolarHBondContact O-N 3.2Å; S173-L176 PolarHBondContact O-N 2.88Å; L176-V178 VanDerWaalsContact C-N 3.29Å; L176-V178 PolarHBondContact O-N 3.21Å; L176-H179 WeakPolarHBondContact O-CB 3.4Å; L176-H179 PolarHBondContact O-N 2.96Å; L176-H179 VanDerWaalsContact O-N 3.1Å; L176-V180 HydrophobicContact CD1-CG2 3.81Å; L176-V180 HydrophobicContact CG-CG2 4.42Å; L176-V180 WeakPolarHBondContact O-CG2 3.47Å; L176-V180 PolarHBondContact O-N 3.24Å
177E81.9Confident81.5Confident66 Ų6663.3 Ų63.331%0.30836%0.361SS..Hα-helixtrans-53.1-46.9177-177.4-158.8-167.600111.5S173 H174 R181S173-E177 WeakPolarHBondContact O-CB 3.45Å; S173-E177 PolarHBondContact O-N 2.74Å; H174-E177 IonicContact CE1-OE2 3.57Å; H174-E177 IonicContact CG-OE2 3.83Å; H174-E177 IonicContact ND1-OE2 2.75Å; H174-E177 PolarHBondContact ND1-OE2 3Å; E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 3.24Å; E177-R181 VanDerWaalsContact O-N 3.14Å; E177-R181 IonicContact OE1-CZ 3.13Å; E177-R181 IonicContact OE1-NH1 2.7Å; E177-R181 PolarHBondContact OE1-NH1 2.74Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R181 PolarHBondContact OE1-NH2 2.7Å; E177-R181 IonicContact OE2-NH1 3.87Å
178V80.5Confident81.2Confident13 Ų1363.8 Ų63.88%0.07935%0.353CS..Hα-helixtrans-69.2-35.4178.4167.30000112.2H174 L176 R182H174-V178 VanDerWaalsContact CE1-CG2 3.43Å; H174-V178 WeakPolarHBondContact CE1-CG2 3.47Å; H174-V178 VanDerWaalsContact O-CB 3.25Å; H174-V178 WeakPolarHBondContact O-CB 3.42Å; H174-V178 WeakPolarHBondContact O-CG2 3.38Å; H174-V178 PolarHBondContact O-N 3.23Å; L176-V178 VanDerWaalsContact C-N 3.29Å; L176-V178 PolarHBondContact O-N 3.21Å; V178-R182 VanDerWaalsContact CG1-CZ 3.41Å; V178-R182 WeakPolarHBondContact O-CG 3.42Å; V178-R182 PolarHBondContact O-N 3.06Å
179H84.4Confident80.6Confident19 Ų1960.2 Ų60.29%0.08834%0.341CS..Hα-helixtrans-65.3-53173.9160.150.6000111.6C166 F170 G175 L176 R181 R182 S183 H184C166-H179 PolarHBondContact SG-NE2 3.09Å; F170-H179 HydrophobicContact CE1-CB 3.89Å; F170-H179 HydrophobicContact CE2-CB 4.14Å; F170-H179 AromaticContact CE2-CD2 3.33Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.4Å; F170-H179 AromaticContact CE2-CG 3.93Å; F170-H179 HydrophobicContact CZ-CB 3.48Å; F170-H179 VanDerWaalsContact CZ-CB 3.48Å; F170-H179 AromaticContact CZ-CD2 3.26Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.46Å; F170-H179 AromaticContact CZ-CG 3.39Å; G175-H179 WeakPolarHBondContact O-CB 3.46Å; G175-H179 PolarHBondContact O-N 2.88Å; L176-H179 WeakPolarHBondContact O-CB 3.4Å; L176-H179 PolarHBondContact O-N 2.96Å; L176-H179 VanDerWaalsContact O-N 3.1Å; H179-R181 VanDerWaalsContact C-N 3.31Å; H179-R181 PolarHBondContact O-N 3.05Å; H179-R182 PolarHBondContact O-N 3.31Å; H179-R182 VanDerWaalsContact O-N 3.08Å; H179-S183 VanDerWaalsContact CE1-CB 3.41Å; H179-S183 WeakPolarHBondContact CE1-CB 3.36Å; H179-S183 PolarHBondContact CE1-OG 2.92Å; H179-S183 WeakPolarHBondContact ND1-CB 3.47Å; H179-S183 PolarHBondContact ND1-OG 3.49Å; H179-S183 WeakPolarHBondContact O-CB 3.45Å; H179-S183 PolarHBondContact O-N 3.1Å; H179-S183 PolarHBondContact O-OG 2.98Å; H179-H184 AromaticContact CE1-NE2 3.67Å; H179-H184 AromaticContact NE2-NE2 3.66Å
180V81.8Confident80.3Confident27 Ų2757.3 Ų57.316%0.16432%0.322CS..Hα-helixtrans-56.9-46.4-179.2172.50000110.6T152 L176 R182 H184 S185T152-V180 HydrophobicContact CG2-CG2 4.48Å; L176-V180 HydrophobicContact CD1-CG2 3.81Å; L176-V180 HydrophobicContact CG-CG2 4.42Å; L176-V180 WeakPolarHBondContact O-CG2 3.47Å; L176-V180 PolarHBondContact O-N 3.24Å; V180-R182 VanDerWaalsContact C-N 3.28Å; V180-R182 PolarHBondContact O-N 2.99Å; V180-H184 PolarHBondContact O-N 3.3Å; V180-H184 VanDerWaalsContact O-N 3.16Å; V180-S185 PolarHBondContact O-N 2.99Å
181R77.8Confident80Confident39 Ų3955.6 Ų55.615%0.14732%0.318CS..Hα-helixtrans-56.5-38.1177.9-79.4-166.5-169.9117.911.2113.3E177 H179 S185 G186 M187E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 3.24Å; E177-R181 VanDerWaalsContact O-N 3.14Å; E177-R181 IonicContact OE1-CZ 3.13Å; E177-R181 IonicContact OE1-NH1 2.7Å; E177-R181 PolarHBondContact OE1-NH1 2.74Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R181 PolarHBondContact OE1-NH2 2.7Å; E177-R181 IonicContact OE2-NH1 3.87Å; H179-R181 VanDerWaalsContact C-N 3.31Å; H179-R181 PolarHBondContact O-N 3.05Å; R181-S185 CarbonylContact O-C 3.22Å; R181-S185 VanDerWaalsContact O-C 3.26Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; R181-G186 CarbonylContact O-C 3.26Å; R181-G186 PolarHBondContact O-N 3.1Å; R181-M187 HydrophobicContact CB-CB 4.25Å; R181-M187 PolarHBondContact O-N 3.05Å
182R76.7Confident79.8Confident86 Ų8650.9 Ų50.933%0.32529%0.285SS..Hα-helixtrans-86.8-48.9-179.7-65.7178.7-155.9169.84.4114V178 H179 V180 G186 G200 H201V178-R182 VanDerWaalsContact CG1-CZ 3.41Å; V178-R182 WeakPolarHBondContact O-CG 3.42Å; V178-R182 PolarHBondContact O-N 3.06Å; H179-R182 PolarHBondContact O-N 3.31Å; H179-R182 VanDerWaalsContact O-N 3.08Å; V180-R182 VanDerWaalsContact C-N 3.28Å; V180-R182 PolarHBondContact O-N 2.99Å; R182-G186 PolarHBondContact O-N 3.34Å; R182-G200 PolarHBondContact NH2-O 2.92Å; R182-H201 PolarHBondContact NH1-NE2 2.72Å; R182-H201 VanDerWaalsContact NH1-NE2 3.16Å; R182-H201 PolarHBondContact NH2-CD2 2.83Å; R182-H201 PolarHBondContact NH2-CE1 3.45Å; R182-H201 PolarHBondContact NH2-ND1 3.05Å; R182-H201 PolarHBondContact NH2-NE2 2.78Å
183S78.9Confident79.5Confident73 Ų7349.3 Ų49.351%0.5128%0.277SS..Hα-helixtrans-81.9-21.7-165.9-61.90000113.2H179H179-S183 VanDerWaalsContact CE1-CB 3.41Å; H179-S183 WeakPolarHBondContact CE1-CB 3.36Å; H179-S183 PolarHBondContact CE1-OG 2.92Å; H179-S183 WeakPolarHBondContact ND1-CB 3.47Å; H179-S183 PolarHBondContact ND1-OG 3.49Å; H179-S183 WeakPolarHBondContact O-CB 3.45Å; H179-S183 PolarHBondContact O-N 3.1Å; H179-S183 PolarHBondContact O-OG 2.98Å
184H79.6Confident79.2Confident79 Ų7950.4 Ų50.437%0.36628%0.276SS..THydrogen-bonded Turntrans-122.7-33.2-179.2-54.6-50.9000112.4C163 C166 H179 V180C163-H184 PolarHBondContact SG-NE2 2.78Å; C163-H184 VanDerWaalsContact SG-NE2 3.45Å; C166-H184 PolarHBondContact SG-NE2 2.83Å; C166-H184 VanDerWaalsContact SG-NE2 3.43Å; H179-H184 AromaticContact CE1-NE2 3.67Å; H179-H184 AromaticContact NE2-NE2 3.66Å; V180-H184 PolarHBondContact O-N 3.3Å; V180-H184 VanDerWaalsContact O-N 3.16Å
185S73Confident79.2Confident71 Ų7148 Ų4850%0.49727%0.27SS..THydrogen-bonded Turntrans-107.3-5.1-176.2-165.40000114.7V180 R181 M187V180-S185 PolarHBondContact O-N 2.99Å; R181-S185 CarbonylContact O-C 3.22Å; R181-S185 VanDerWaalsContact O-C 3.26Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; S185-M187 WeakPolarHBondContact O-CG 3.26Å; S185-M187 PolarHBondContact O-N 2.99Å; S185-M187 WeakPolarHBondContact OG-CG 3.33Å
186G73.1Confident79.1Confident52 Ų5256.2 Ų56.254%0.53629%0.293SS..  trans63.5-2.2-179.700000116.8R181 R182R181-G186 CarbonylContact O-C 3.26Å; R181-G186 PolarHBondContact O-N 3.1Å; R182-G186 PolarHBondContact O-N 3.34Å
187M72.4Confident78.9Confident74 Ų7462.5 Ų62.537%0.36532%0.32SS..  trans-69.6133.5-171.3-54.5-168.4101.600113.2P144 R181 S185 P189P144-M187 HydrophobicContact CB-CE 4.37Å; P144-M187 HydrophobicContact CG-CE 3.61Å; P144-M187 HydrophobicContact CG-SD 4.31Å; R181-M187 HydrophobicContact CB-CB 4.25Å; R181-M187 PolarHBondContact O-N 3.05Å; S185-M187 WeakPolarHBondContact O-CG 3.26Å; S185-M187 PolarHBondContact O-N 2.99Å; S185-M187 WeakPolarHBondContact OG-CG 3.33Å; M187-P189 WeakPolarHBondContact O-CD 3.46Å
188R77.2Confident78.9Confident139 Ų13962.3 Ų62.353%0.52532%0.324SS..  trans-124.776.2180-63.3169.274.4118.3-1.7109.3F190 T198 F199R188-F190 PolarHBondContact O-N 2.85Å; R188-F190 VanDerWaalsContact O-N 3.13Å; R188-T198 PolarHBondContact NE-O 2.88Å; R188-T198 PolarHBondContact NE-OG1 3.01Å; R188-T198 PolarHBondContact NH2-O 2.93Å; R188-F199 CarbonylContact C-O 3.53Å; R188-F199 WeakPolarHBondContact CA-O 3.42Å
189P72.4Confident78.8Confident32 Ų3263.4 Ų63.421%0.20833%0.328CS..  trans-75.2-0.1-163.130.6-37.2000115.7S141 M187S141-P189 PolarHBondContact N-O 3.23Å; S141-P189 VanDerWaalsContact N-O 3.12Å; S141-P189 PolarHBondContact OG-O 2.9Å; M187-P189 WeakPolarHBondContact O-CD 3.46Å
190F81.2Confident78.6Confident17 Ų1763 Ų638%0.07533%0.329CS..EExtended strand (participates in β ladder)trans-106.297.6179.6-58.9-78.3000109.4R140 R188 F199 A202 L205R140-F190 HydrophobicContact CG-CD1 4.5Å; R140-F190 HydrophobicContact CG-CE1 4.49Å; R188-F190 PolarHBondContact O-N 2.85Å; R188-F190 VanDerWaalsContact O-N 3.13Å; F190-F199 HydrophobicContact CB-CB 4.2Å; F190-F199 WeakPolarHBondContact CB-O 3.5Å; F190-F199 PolarHBondContact N-O 2.93Å; F190-F199 PolarHBondContact O-N 3.28Å; F190-A202 HydrophobicContact CD1-CB 4.04Å; F190-A202 HydrophobicContact CE1-CB 3.73Å; F190-A202 HydrophobicContact CZ-CB 4.1Å; F190-L205 HydrophobicContact CB-CB 4.08Å; F190-L205 HydrophobicContact CB-CD2 3.82Å
191G81.1Confident78.4Confident12 Ų1265.5 Ų65.512%0.12434%0.339CS..EExtended strand (participates in β ladder)trans-91.9138-179.300000113S139 S193 L205S139-G191 PolarHBondContact O-N 3.3Å; G191-S193 PolarHBondContact O-N 3.39Å; G191-L205 WeakPolarHBondContact O-CD2 3.25Å
192C83Confident78.5Confident2 Ų265 Ų651%0.01434%0.343CS..EExtended strand (participates in β ladder)trans-70.6122.5162.9177.20000109.7I194 C195 R196 K197 F199 L205 M209 H212C192-I194 VanDerWaalsContact C-N 3.3Å; C192-I194 PolarHBondContact O-N 2.74Å; C192-I194 PolarHBondContact SG-N 3.06Å; C192-I194 VanDerWaalsContact SG-N 3.38Å; C192-C195 PolarHBondContact SG-N 3.48Å; C192-R196 WeakPolarHBondContact O-CA 3.21Å; C192-R196 PolarHBondContact O-N 2.91Å; C192-K197 WeakPolarHBondContact CB-O 3.43Å; C192-K197 PolarHBondContact N-O 3.41Å; C192-F199 HydrophobicContact CB-CE2 4.42Å; C192-L205 HydrophobicContact CB-CD1 3.98Å; C192-M209 HydrophobicContact CB-CE 3.91Å; C192-M209 VanDerWaalsContact SG-CE 3.51Å; C192-H212 PolarHBondContact SG-NE2 3.45Å
193S79.9Confident78.8Confident40 Ų4065.6 Ų65.628%0.2836%0.356SS..THydrogen-bonded Turntrans-61.5-37.9174.344.70000112.7H137 G191 R196H137-S193 PolarHBondContact O-OG 3.28Å; G191-S193 PolarHBondContact O-N 3.39Å; S193-R196 PolarHBondContact O-NE 2.87Å
194I77.9Confident79Confident93 Ų9364.1 Ų64.148%0.47735%0.346SS..THydrogen-bonded Turntrans-78.4-54.7-171.7-57.6166.2000112.4C192 H212C192-I194 VanDerWaalsContact C-N 3.3Å; C192-I194 PolarHBondContact O-N 2.74Å; C192-I194 PolarHBondContact SG-N 3.06Å; C192-I194 VanDerWaalsContact SG-N 3.38Å; I194-H212 HydrophobicContact CD1-CB 3.64Å
195C82.8Confident79.3Confident47 Ų4760.4 Ų60.432%0.31833%0.329SS..THydrogen-bonded Turntrans-115.312.2-176.971.50000114.8C192 K197 H208 H212C192-C195 PolarHBondContact SG-N 3.48Å; C195-K197 PolarHBondContact O-N 2.87Å; C195-H208 PolarHBondContact SG-NE2 2.95Å; C195-H212 WeakPolarHBondContact CB-CE1 3.36Å; C195-H212 PolarHBondContact SG-CE1 3.08Å; C195-H212 PolarHBondContact SG-NE2 3.28Å
196R81Confident79.8Confident198 Ų19862.3 Ų62.375%0.74733%0.33SS*.  trans58.11.2173.7-54.3-56.117899.3-1.1117.4C192 S193 T198C192-R196 WeakPolarHBondContact O-CA 3.21Å; C192-R196 PolarHBondContact O-N 2.91Å; S193-R196 PolarHBondContact O-NE 2.87Å; R196-T198 PolarHBondContact O-N 3.09Å
197K79.6Confident80.3Confident133 Ų13366.3 Ų66.358%0.57834%0.335SS*.  trans-55.4135.3169.5-68.6-176.2-175.4-710110.7C192 C195 F199C192-K197 WeakPolarHBondContact CB-O 3.43Å; C192-K197 PolarHBondContact N-O 3.41Å; C195-K197 PolarHBondContact O-N 2.87Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.12Å; K197-F199 WeakPolarHBondContact O-CE2 3.15Å
198T81.6Confident80.8Confident63 Ų6364.1 Ų64.139%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-107.9141.6-175.759.10000112.4R188 R196R188-T198 PolarHBondContact NE-O 2.88Å; R188-T198 PolarHBondContact NE-OG1 3.01Å; R188-T198 PolarHBondContact NH2-O 2.93Å; R196-T198 PolarHBondContact O-N 3.09Å
199F80.3Confident81Confident35 Ų3558.9 Ų58.915%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-126.5151.8-173.5-61.1-91.7000111.1R188 F190 C192 K197 L205 H208R188-F199 CarbonylContact C-O 3.53Å; R188-F199 WeakPolarHBondContact CA-O 3.42Å; F190-F199 HydrophobicContact CB-CB 4.2Å; F190-F199 WeakPolarHBondContact CB-O 3.5Å; F190-F199 PolarHBondContact N-O 2.93Å; F190-F199 PolarHBondContact O-N 3.28Å; C192-F199 HydrophobicContact CB-CE2 4.42Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.12Å; K197-F199 WeakPolarHBondContact O-CE2 3.15Å; F199-L205 HydrophobicContact CB-CB 4.2Å; F199-L205 HydrophobicContact CD2-CB 4.08Å; F199-L205 HydrophobicContact CD2-CD1 3.76Å; F199-L205 HydrophobicContact CE2-CD1 4.04Å; F199-L205 HydrophobicContact CG-CB 4.22Å; F199-H208 HydrophobicContact CE1-CB 4.02Å; F199-H208 HydrophobicContact CE2-CB 4.18Å; F199-H208 AromaticContact CE2-CD2 3.3Å; F199-H208 WeakPolarHBondContact CE2-CD2 3.5Å; F199-H208 AromaticContact CE2-CG 3.85Å; F199-H208 HydrophobicContact CZ-CB 3.64Å; F199-H208 AromaticContact CZ-CD2 3.3Å; F199-H208 WeakPolarHBondContact CZ-CD2 3.41Å; F199-H208 AromaticContact CZ-CG 3.38Å; F199-H208 AromaticContact CZ-NE2 3.99Å
200G78.4Confident81.5Confident12 Ų1261.8 Ų61.812%0.12432%0.319CS..SBendtrans-88.6-17.3177.800000114.7R182R182-G200 PolarHBondContact NH2-O 2.92Å
201H78.8Confident81.4Confident78 Ų7864.5 Ų64.536%0.36134%0.337SS..SBendtrans-123.1149.5175.7-69.3-70.5000109.8R182 S204 L205R182-H201 PolarHBondContact NH1-NE2 2.72Å; R182-H201 VanDerWaalsContact NH1-NE2 3.16Å; R182-H201 PolarHBondContact NH2-CD2 2.83Å; R182-H201 PolarHBondContact NH2-CE1 3.45Å; R182-H201 PolarHBondContact NH2-ND1 3.05Å; R182-H201 PolarHBondContact NH2-NE2 2.78Å; H201-S204 PolarHBondContact O-N 3.43Å; H201-L205 PolarHBondContact O-N 2.77Å
202A80Confident81.1Confident29 Ų2965.8 Ų65.824%0.2434%0.34CS..Hα-helixtrans-57.8-46.9165.500000111.6F190 S204 L205 E206F190-A202 HydrophobicContact CD1-CB 4.04Å; F190-A202 HydrophobicContact CE1-CB 3.73Å; F190-A202 HydrophobicContact CZ-CB 4.1Å; A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 3.45Å; A202-L205 CarbonylContact O-C 3.6Å; A202-L205 WeakPolarHBondContact O-CA 3.26Å; A202-L205 WeakPolarHBondContact O-CB 3.26Å; A202-L205 PolarHBondContact O-N 3.49Å; A202-E206 WeakPolarHBondContact O-CB 3.34Å; A202-E206 PolarHBondContact O-N 3.39Å
203V82.8Confident80.4Confident98 Ų9868.8 Ų68.859%0.59436%0.361SS*.Hα-helixtrans-59.1-36.9-179.1-174.80000112.4E206 Q207V203-E206 PolarHBondContact O-N 3.2Å; V203-Q207 WeakPolarHBondContact O-CB 3.41Å; V203-Q207 PolarHBondContact O-N 3.2Å
204S83.4Confident79.4Confident43 Ų4373.6 Ų73.630%0.30138%0.378SS..Hα-helixtrans-70.5-33.8176.2-540000112.6H201 A202 H208H201-S204 PolarHBondContact O-N 3.43Å; A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 3.45Å; S204-H208 VanDerWaalsContact O-CB 3.28Å; S204-H208 WeakPolarHBondContact O-CB 3.43Å; S204-H208 PolarHBondContact O-N 2.75Å; S204-H208 VanDerWaalsContact O-N 3.13Å
205L84.6Confident78.3Confident0 Ų073.3 Ų73.30%038%0.381CS..Hα-helixtrans-69.9-43.4172.2173.764.4000110.9I138 F190 G191 C192 F199 H201 A202 H208 M209I138-L205 HydrophobicContact CG2-CD2 3.95Å; F190-L205 HydrophobicContact CB-CB 4.08Å; F190-L205 HydrophobicContact CB-CD2 3.82Å; G191-L205 WeakPolarHBondContact O-CD2 3.25Å; C192-L205 HydrophobicContact CB-CD1 3.98Å; F199-L205 HydrophobicContact CB-CB 4.2Å; F199-L205 HydrophobicContact CD2-CB 4.08Å; F199-L205 HydrophobicContact CD2-CD1 3.76Å; F199-L205 HydrophobicContact CE2-CD1 4.04Å; F199-L205 HydrophobicContact CG-CB 4.22Å; H201-L205 PolarHBondContact O-N 2.77Å; A202-L205 CarbonylContact O-C 3.6Å; A202-L205 WeakPolarHBondContact O-CA 3.26Å; A202-L205 WeakPolarHBondContact O-CB 3.26Å; A202-L205 PolarHBondContact O-N 3.49Å; L205-H208 CarbonylContact O-C 3.45Å; L205-H208 WeakPolarHBondContact O-CA 3.36Å; L205-H208 WeakPolarHBondContact O-CB 3.35Å; L205-H208 PolarHBondContact O-N 2.85Å; L205-H208 VanDerWaalsContact O-N 3.14Å; L205-M209 HydrophobicContact CD1-CE 3.44Å; L205-M209 VanDerWaalsContact CD1-CE 3.44Å; L205-M209 HydrophobicContact CD1-SD 4.39Å; L205-M209 HydrophobicContact CG-CE 4.31Å; L205-M209 WeakPolarHBondContact O-CE 2.97Å; L205-M209 WeakPolarHBondContact O-CG 3.48Å; L205-M209 PolarHBondContact O-N 3.24Å
206E84.4Confident76.8Confident111 Ų11175 Ų7552%0.51939%0.387SS..Hα-helixtrans-60.4-49.6177-178.3176.8-164.600111.7A202 V203 H208 M209 N210A202-E206 WeakPolarHBondContact O-CB 3.34Å; A202-E206 PolarHBondContact O-N 3.39Å; V203-E206 PolarHBondContact O-N 3.2Å; E206-H208 PolarHBondContact O-N 2.91Å; E206-M209 WeakPolarHBondContact O-CB 3.25Å; E206-M209 PolarHBondContact O-N 3.18Å; E206-N210 PolarHBondContact O-N 2.76Å
207Q82.8Confident75.2Confident137 Ų13773.2 Ų73.264%0.6438%0.384SS*.Hα-helixtrans-57.6-37.4172.5-171.9-17714.200111.8V203 N210V203-Q207 WeakPolarHBondContact O-CB 3.41Å; V203-Q207 PolarHBondContact O-N 3.2Å; Q207-N210 WeakPolarHBondContact O-CB 3.37Å; Q207-N210 PolarHBondContact O-N 3.44Å
208H82.9Confident73.7Confident28 Ų2872.4 Ų72.413%0.1339%0.386CS..Hα-helixtrans-70.3-30.7175.8173.154.1000113.3C195 F199 S204 L205 E206 N210 V211 H212C195-H208 PolarHBondContact SG-NE2 2.95Å; F199-H208 HydrophobicContact CE1-CB 4.02Å; F199-H208 HydrophobicContact CE2-CB 4.18Å; F199-H208 AromaticContact CE2-CD2 3.3Å; F199-H208 WeakPolarHBondContact CE2-CD2 3.5Å; F199-H208 AromaticContact CE2-CG 3.85Å; F199-H208 HydrophobicContact CZ-CB 3.64Å; F199-H208 AromaticContact CZ-CD2 3.3Å; F199-H208 WeakPolarHBondContact CZ-CD2 3.41Å; F199-H208 AromaticContact CZ-CG 3.38Å; F199-H208 AromaticContact CZ-NE2 3.99Å; S204-H208 VanDerWaalsContact O-CB 3.28Å; S204-H208 WeakPolarHBondContact O-CB 3.43Å; S204-H208 PolarHBondContact O-N 2.75Å; S204-H208 VanDerWaalsContact O-N 3.13Å; L205-H208 CarbonylContact O-C 3.45Å; L205-H208 WeakPolarHBondContact O-CA 3.36Å; L205-H208 WeakPolarHBondContact O-CB 3.35Å; L205-H208 PolarHBondContact O-N 2.85Å; L205-H208 VanDerWaalsContact O-N 3.14Å; E206-H208 PolarHBondContact O-N 2.91Å; H208-N210 PolarHBondContact O-N 3.45Å; H208-V211 WeakPolarHBondContact O-CB 3.41Å; H208-V211 PolarHBondContact O-N 2.84Å; H208-V211 VanDerWaalsContact O-N 3.11Å; H208-H212 AromaticContact CD2-NE2 3.29Å; H208-H212 PolarHBondContact CD2-NE2 3.49Å; H208-H212 VanDerWaalsContact CD2-NE2 3.29Å; H208-H212 AromaticContact CE1-CD2 3.99Å; H208-H212 AromaticContact CE1-NE2 2.67Å; H208-H212 PolarHBondContact CE1-NE2 2.76Å; H208-H212 AromaticContact ND1-NE2 3.73Å; H208-H212 AromaticContact NE2-CD2 3.88Å; H208-H212 AromaticContact NE2-NE2 2.27Å; H208-H212 PolarHBondContact NE2-NE2 2.88Å
209M82.2Confident72.2Confident28 Ų2873 Ų7314%0.13839%0.39CS..Hα-helixtrans-62.1-27.7173.7-65-50.986.400112.1C192 L205 E206 V211 H212 S213C192-M209 HydrophobicContact CB-CE 3.91Å; C192-M209 VanDerWaalsContact SG-CE 3.51Å; L205-M209 HydrophobicContact CD1-CE 3.44Å; L205-M209 VanDerWaalsContact CD1-CE 3.44Å; L205-M209 HydrophobicContact CD1-SD 4.39Å; L205-M209 HydrophobicContact CG-CE 4.31Å; L205-M209 WeakPolarHBondContact O-CE 2.97Å; L205-M209 WeakPolarHBondContact O-CG 3.48Å; L205-M209 PolarHBondContact O-N 3.24Å; E206-M209 WeakPolarHBondContact O-CB 3.25Å; E206-M209 PolarHBondContact O-N 3.18Å; M209-V211 PolarHBondContact O-N 2.92Å; M209-H212 PolarHBondContact O-N 2.72Å; M209-H212 VanDerWaalsContact O-N 3.15Å; M209-S213 PolarHBondContact O-N 3.3Å
210N82.8Confident70.7Confident93 Ų9377.5 Ų77.550%0.49741%0.411SS..Hα-helixtrans-62.5-28.7175.7-64-36.9000113E206 Q207 H208 S213 Q214E206-N210 PolarHBondContact O-N 2.76Å; Q207-N210 WeakPolarHBondContact O-CB 3.37Å; Q207-N210 PolarHBondContact O-N 3.44Å; H208-N210 PolarHBondContact O-N 3.45Å; N210-S213 WeakPolarHBondContact O-CB 3.32Å; N210-S213 PolarHBondContact O-N 3.39Å; N210-Q214 WeakPolarHBondContact O-CG 3.29Å; N210-Q214 PolarHBondContact O-N 2.9Å
211V79.3Confident69Low74 Ų7485.9 Ų85.945%0.44844%0.44SS..Hα-helixtrans-65.5-45.8174.4-175.10000110.3H208 M209 S213 Q214 V215H208-V211 WeakPolarHBondContact O-CB 3.41Å; H208-V211 PolarHBondContact O-N 2.84Å; H208-V211 VanDerWaalsContact O-N 3.11Å; M209-V211 PolarHBondContact O-N 2.92Å; V211-S213 VanDerWaalsContact C-N 3.32Å; V211-S213 PolarHBondContact O-N 1.9Å; V211-Q214 PolarHBondContact O-N 3.43Å; V211-V215 WeakPolarHBondContact O-CG2 3.05Å; V211-V215 PolarHBondContact O-N 3.27Å; V211-V215 VanDerWaalsContact O-N 3.08Å
212H75.1Confident67.6Low40 Ų4090.7 Ų90.719%0.18546%0.461CS..Hα-helixtrans-66.7-33.6174.4-61.8-72.9000112C192 I194 C195 H208 M209 V215 N216C192-H212 PolarHBondContact SG-NE2 3.45Å; I194-H212 HydrophobicContact CD1-CB 3.64Å; C195-H212 WeakPolarHBondContact CB-CE1 3.36Å; C195-H212 PolarHBondContact SG-CE1 3.08Å; C195-H212 PolarHBondContact SG-NE2 3.28Å; H208-H212 AromaticContact CD2-NE2 3.29Å; H208-H212 PolarHBondContact CD2-NE2 3.49Å; H208-H212 VanDerWaalsContact CD2-NE2 3.29Å; H208-H212 AromaticContact CE1-CD2 3.99Å; H208-H212 AromaticContact CE1-NE2 2.67Å; H208-H212 PolarHBondContact CE1-NE2 2.76Å; H208-H212 AromaticContact ND1-NE2 3.73Å; H208-H212 AromaticContact NE2-CD2 3.88Å; H208-H212 AromaticContact NE2-NE2 2.27Å; H208-H212 PolarHBondContact NE2-NE2 2.88Å; M209-H212 PolarHBondContact O-N 2.72Å; M209-H212 VanDerWaalsContact O-N 3.15Å; H212-V215 PolarHBondContact O-N 3.38Å; H212-N216 VanDerWaalsContact O-CB 3.29Å; H212-N216 WeakPolarHBondContact O-CB 3.35Å; H212-N216 VanDerWaalsContact O-CG 3.29Å; H212-N216 PolarHBondContact O-N 3.42Å; H212-N216 PolarHBondContact O-ND2 3.29Å
213S68.4Low66.2Low65 Ų6599.8 Ų99.846%0.45549%0.489SS..Hα-helixtrans-64.9-40.5174-170.50000112.4M209 N210 V211 N216 K217M209-S213 PolarHBondContact O-N 3.3Å; N210-S213 WeakPolarHBondContact O-CB 3.32Å; N210-S213 PolarHBondContact O-N 3.39Å; V211-S213 VanDerWaalsContact C-N 3.32Å; V211-S213 PolarHBondContact O-N 1.9Å; S213-N216 PolarHBondContact O-N 2.86Å; S213-K217 PolarHBondContact O-N 2.8Å
214Q59.2Low64.5Low140 Ų140102.9 Ų102.965%0.65450%0.495SS*.Hα-helixtrans-64.3-44.2173.5-75.5173.4-39.900111.8N210 V211 N216 K217N210-Q214 WeakPolarHBondContact O-CG 3.29Å; N210-Q214 PolarHBondContact O-N 2.9Å; V211-Q214 PolarHBondContact O-N 3.43Å; Q214-N216 VanDerWaalsContact C-N 3.29Å; Q214-N216 PolarHBondContact O-N 2.87Å; Q214-K217 PolarHBondContact O-N 3Å
215V55.1Low62.9Low88 Ų88109 Ų10953%0.53352%0.518SS..Hα-helixtrans-61.3-37.7172.5173.90000111.5V211 H212 K217 N218 T219V211-V215 WeakPolarHBondContact O-CG2 3.05Å; V211-V215 PolarHBondContact O-N 3.27Å; V211-V215 VanDerWaalsContact O-N 3.08Å; H212-V215 PolarHBondContact O-N 3.38Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 2.89Å; V215-N218 PolarHBondContact O-N 3.21Å; V215-T219 PolarHBondContact O-N 3.13Å
216N51.3Low61.4Low81 Ų81118.1 Ų118.143%0.43356%0.558SS.*Hα-helixtrans-71.8-12.5-178.4-81.5-30.3000115.3H212 S213 Q214 N218 T219 H220H212-N216 VanDerWaalsContact O-CB 3.29Å; H212-N216 WeakPolarHBondContact O-CB 3.35Å; H212-N216 VanDerWaalsContact O-CG 3.29Å; H212-N216 PolarHBondContact O-N 3.42Å; H212-N216 PolarHBondContact O-ND2 3.29Å; S213-N216 PolarHBondContact O-N 2.86Å; Q214-N216 VanDerWaalsContact C-N 3.29Å; Q214-N216 PolarHBondContact O-N 2.87Å; N216-N218 PolarHBondContact O-N 2.76Å; N216-T219 VanDerWaalsContact CA-OG1 3.3Å; N216-T219 WeakPolarHBondContact CA-OG1 3.31Å; N216-T219 PolarHBondContact O-N 3.09Å; N216-T219 PolarHBondContact O-OG1 2.83Å; N216-T219 PolarHBondContact OD1-OG1 2.94Å; N216-H220 PolarHBondContact O-N 2.9Å
217K46.8Very low59.2Low162 Ų162120 Ų12070%0.70457%0.571SS**Hα-helixtrans-65.2-28.6166.7-69.8-171.1175.9-174.80112.2S213 Q214 V215S213-K217 PolarHBondContact O-N 2.8Å; Q214-K217 PolarHBondContact O-N 3Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 2.89Å
218N48.1Very low57.1Low116 Ų116125.4 Ų125.462%0.6260%0.603SS**Hα-helixtrans-85.4-35175.1-69.15.8000112.1V215 N216 H220 Y221 F222V215-N218 PolarHBondContact O-N 3.21Å; N216-N218 PolarHBondContact O-N 2.76Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 2.76Å; N218-Y221 PolarHBondContact O-N 3.05Å; N218-F222 PolarHBondContact O-N 3.07Å
219T49.5Very low55.8Low74 Ų74130.3 Ų130.345%0.45463%0.627SS.*Hα-helixtrans-67.4-30.1179.866.10000112.9V215 N216V215-T219 PolarHBondContact O-N 3.13Å; N216-T219 VanDerWaalsContact CA-OG1 3.3Å; N216-T219 WeakPolarHBondContact CA-OG1 3.31Å; N216-T219 PolarHBondContact O-N 3.09Å; N216-T219 PolarHBondContact O-OG1 2.83Å; N216-T219 PolarHBondContact OD1-OG1 2.94Å
220H49.1Very low54.4Low131 Ų131135.6 Ų135.661%0.60665%0.653SS**THydrogen-bonded Turntrans-76.1-21.7175.7-148.9-62000113.5N216 N218 F224N216-H220 PolarHBondContact O-N 2.9Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 2.76Å; H220-F224 AromaticContact CE1-CE2 3.86Å
221Y43.2Very low52.9Low187 Ų187138 Ų13873%0.73366%0.661SS**THydrogen-bonded Turntrans-75-35.7177-148.6-90.8000111.8N218 R223N218-Y221 PolarHBondContact O-N 3.05Å; Y221-R223 PolarHBondContact O-N 3.25Å
222F48.9Very low51.3Low180 Ų180141.8 Ų141.879%0.78967%0.674SS**THydrogen-bonded Turntrans-82-3.6-179.4-80.8-76.3000115.4N218N218-F222 PolarHBondContact O-N 3.07Å
223R50.8Low49.8Very low220 Ų220148.1 Ų148.183%0.8370%0.704SS**THydrogen-bonded Turntrans-95.3-1-179.1-148.6172.9-175.2129.53.6115Y221Y221-R223 PolarHBondContact O-N 3.25Å
224F46Very low48.6Very low163 Ų163153.7 Ų153.772%0.71572%0.721SS**SBendtrans-118.98.6-178.6-88.3-81.5000115.4H220H220-F224 AromaticContact CE1-CE2 3.86Å
225H51Low47.8Very low172 Ų172154.6 Ų154.680%0.79673%0.726SS**SBendtrans-120.232.8177-109.3-64000114.8
226K52.4Low47.3Very low190 Ų190159.8 Ų159.883%0.82674%0.74SS**SBendtrans-143.290.2160.3-81.1-164.4173.7-176.40111.1
227N38.3Very low46.9Very low151 Ų151166.3 Ų166.381%0.80777%0.766SS**  trans170.5124.5132.1-85.7-23000109.9
228L39Very low46.9Very low250 Ų250166.7 Ų166.7100%1.30977%0.772SS**  trans59.20-172.4-61.9102.3000113.9

Retrieved 228 of 228 residues in 157.1 ms (Link to these results)