A0A075B763_HUMAN Loading...

Ras association domain family member 5

AlphaFold DB , UniProt , Accession A0A075B763, Species HUMAN (Homo sapiens, Human), Gene RASSF5, Length 350 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
1M34.1Very low36.3Very low246 Ų246148.3 Ų148.3100%1.21286%0.863SS**  0128.20-85.6170.7166.700108.3
2A36.6Very low36.8Very low96 Ų96146.1 Ų146.179%0.79386%0.857SS**  trans53.7110.1171.900000117.1
3M36.3Very low36.4Very low190 Ų190152.2 Ų152.294%0.93686%0.859SS**  cis51.810648.4-64.9-66-139.900115.1
4A31.3Very low36.8Very low107 Ų107148.9 Ų148.988%0.88485%0.847SS**  -173.7142.9125.600000111.2
5S35.5Very low36.3Very low125 Ų125149.1 Ų149.187%0.87484%0.844SS**  trans-98.4-178.1-162-111.40000113.6
6P55.9Low36.2Very low122 Ų122148.6 Ų148.679%0.79284%0.837SS**  trans-105.6178.9-150.842.2-36.9000114.9
7A32Very low36Very low83 Ų83148.2 Ų148.269%0.68683%0.832SS**  trans-147.4114167.300000114.4
8I36.1Very low35.8Very low176 Ų176147.8 Ų147.890%0.90383%0.827SS**  trans73.8121.9132.4-58.6162.7000117.6
9G30.8Very low36Very low62 Ų62146.1 Ų146.164%0.63982%0.823SS**  cis-177.7143.4300000112.9
10Q31.7Very low35.9Very low194 Ų194146.3 Ų146.391%0.90782%0.817SS**  trans56.6108.4133.2-58.8-87.3-13.900119.9
11R38.9Very low36.2Very low230 Ų230144 Ų14487%0.86881%0.809SS**  trans-61.2175.8143-66177.1172172.2-2.8109.7
12P42.2Very low36.6Very low122 Ų122138.2 Ų138.279%0.79279%0.789SS**  cis-144179.21633.2-7.3000117
13Y31.1Very low36.5Very low226 Ų226143.7 Ų143.789%0.88679%0.789SS**  trans-38.4175.1162.7-79.8-89.3000117
14P42.5Very low36.3Very low105 Ų105145.2 Ų145.268%0.68279%0.786SS**  cis-146.5-173.62.737.8-14.4000117.6
15L30Very low36.5Very low153 Ų153148.7 Ų148.780%0.80179%0.789SS**  trans87.3120.5144.2-72.7-167.3000123.8
16L34.3Very low36.3Very low141 Ų141151.3 Ų151.374%0.73879%0.787SS**  84146.1128-143.580.5000121.8
17L33.1Very low35.2Very low142 Ų142150.6 Ų150.674%0.74379%0.786SS**  trans85.6132.7167.6-52.2161.1000114.5
18D31.6Very low35.4Very low140 Ų140155.2 Ų155.275%0.74980%0.798SS**  cis-170.2164.3-13.5-117.8-25.9000104E20D18-E20 PolarHBondContact O-N 3.33Å
19P40.4Very low35.4Very low115 Ų115152.6 Ų152.675%0.74780%0.795SS**PPolyproline II helixtrans-78.3118.8-175.629.9-30000112.2
20E34.1Very low35.6Very low150 Ų150152.7 Ų152.770%0.70180%0.796SS**PPolyproline II helixtrans-70.7132.9171.7-129-155.9148.800110.5D18 R23D18-E20 PolarHBondContact O-N 3.33Å; E20-R23 IonicContact OE1-CZ 3.14Å; E20-R23 IonicContact OE1-NE 2.88Å; E20-R23 IonicContact OE1-NH2 2.73Å; E20-R23 PolarHBondContact OE1-NH2 3.17Å
21P42.1Very low36Very low100 Ų100149.8 Ų149.865%0.64979%0.794SS**PPolyproline II helixtrans-78.7151.9179.230.8-33.1000112R23P21-R23 PolarHBondContact O-N 3.13Å
22P41.4Very low35.9Very low124 Ų124147.7 Ų147.781%0.80579%0.794SS**PPolyproline II helixtrans-67.1121.8176.225.5-30.9000110.6Y24P22-Y24 PolarHBondContact O-N 3.12Å
23R35.5Very low36.1Very low211 Ų211149.6 Ų149.680%0.79680%0.797SS**PPolyproline II helixtrans-67.3127.4175.8-62.4-158.6-178.3-178.43.9110.8E20 P21 L25E20-R23 IonicContact OE1-CZ 3.14Å; E20-R23 IonicContact OE1-NE 2.88Å; E20-R23 IonicContact OE1-NH2 2.73Å; E20-R23 PolarHBondContact OE1-NH2 3.17Å; P21-R23 PolarHBondContact O-N 3.13Å; R23-L25 PolarHBondContact O-N 3.14Å
24Y32.3Very low37.4Very low221 Ų221143.9 Ų143.987%0.86779%0.787SS**PPolyproline II helixtrans-57.9124.1166.5-75.2-94.9000109.7P22 Q26P22-Y24 PolarHBondContact O-N 3.12Å; Y24-Q26 PolarHBondContact O-N 3.12Å
25L34.3Very low38.3Very low180 Ų180144.3 Ų144.394%0.94279%0.79SS**PPolyproline II helixtrans-74.5116.5161.7-79.8176.2000108.3R23R23-L25 PolarHBondContact O-N 3.14Å
26Q33Very low39.5Very low180 Ų180142.7 Ų142.784%0.84179%0.789SS**PPolyproline II helixtrans-70.3136.2-177.5-153.5154.9000110.1Y24 L28Y24-Q26 PolarHBondContact O-N 3.12Å; Q26-L28 PolarHBondContact O-N 3.34Å
27S32.7Very low40.4Very low108 Ų108141.6 Ų141.676%0.75579%0.79SS**  trans-45.4128.6170.9-610000112.2
28L35Very low40.8Very low179 Ų179140.8 Ų140.894%0.93779%0.793SS**  trans-103.192155.8-71.4175000107.9Q26Q26-L28 PolarHBondContact O-N 3.34Å
29S35.4Very low40.9Very low121 Ų121142.2 Ų142.285%0.84680%0.801SS**  trans-68.6119.3157.138.80000109.2
30G35.8Very low40.7Very low64 Ų64147.8 Ų147.866%0.6681%0.807SS**  trans-142147.7167.800000109.2
31P41.1Very low40.6Very low134 Ų134145.8 Ų145.887%0.8781%0.809SS**PPolyproline II helixtrans-74.5150.2-152.828-34.2000115.3
32E37.2Very low40.3Very low185 Ų185145.7 Ų145.786%0.86481%0.811SS**PPolyproline II helixtrans-50.2129.1176.8-167.9175.5118.800113.6
33L44.4Very low40.1Very low163 Ų163151.6 Ų151.685%0.85382%0.818SS**PPolyproline II helixtrans-87133.8166.4-86.4159.1000109.2
34P59.5Low40.1Very low105 Ų105149 Ų14968%0.68282%0.818SS**PPolyproline II helixtrans-73154.4-176.428.9-33.6000112.8
35P61Low40Very low115 Ų115144.6 Ų144.675%0.74782%0.819SS**PPolyproline II helixtrans-74.9150.7-178.830.2-34.4000112.7
36P55Low39.9Very low119 Ų119142.4 Ų142.477%0.77381%0.813SS**PPolyproline II helixtrans-73.2151174.830.2-33.5000112.1
37P53.5Low40.3Very low117 Ų117139.1 Ų139.176%0.7681%0.807SS**PPolyproline II helixtrans-74.6160.5-175.930.2-34.6000113.6
38P40.9Very low40.2Very low126 Ų126138.3 Ų138.382%0.81881%0.807SS**PPolyproline II helixtrans-81124.6-174.131.7-32.5000111.5R40P38-R40 PolarHBondContact O-N 3.1Å
39D34Very low40.5Very low169 Ų169135.8 Ų135.890%0.90480%0.801SS**  trans-86.9112.8169.9-148.7-13.8000109.6
40R35.7Very low40.2Very low233 Ų233137.6 Ų137.688%0.87980%0.8SS**  trans-126.599.7179.3-142.9-169.4-168.5-1493.8106.8P38P38-R40 PolarHBondContact O-N 3.1Å
41S32.7Very low39.9Very low107 Ų107139.5 Ų139.575%0.74880%0.804SS**  trans-154.1102.4146.4-162.60000111.9
42S35.5Very low39.3Very low99 Ų99139.5 Ų139.569%0.69280%0.802SS**  trans-53.4140.6159.8-48.30000111.8
43R36.7Very low39.1Very low247 Ų247134.7 Ų134.793%0.93279%0.793SS**  trans-137.5122136.5-72.9-165.3-169.3-119.7-0.4110
44L35.9Very low38.9Very low156 Ų156133 Ų13382%0.81779%0.792SS**  trans-66.4150.5171.8-66.8148.1000110.7
45C30.1Very low37.5Very low130 Ų130131.9 Ų131.988%0.87880%0.799SS**  -178.9151.3120.9-93.10000112
46V32.2Very low36Very low134 Ų134131 Ų13181%0.81280%0.801SS**  trans-96.8-163.9-157.9-144.20000111.8
47P42.8Very low34.8Very low111 Ų111135 Ų13572%0.72180%0.801SS**  trans-121.2179.5-131.439.2-16.9000117.2
48A29.1Very low33.8Very low91 Ų91137.1 Ų137.175%0.75280%0.801SS**  trans73.4166.8155.100000118.3
49P41.8Very low33.2Very low125 Ų125134.4 Ų134.481%0.81280%0.796SS**  cis-142-164.47.839.5-16000117.4
50L28.7Very low33.3Very low159 Ų159137.9 Ų137.983%0.83280%0.796SS**  trans-53.1163-175.1-73.1143.6000121.9
51S29.3Very low32.9Very low104 Ų104132.2 Ų132.273%0.72779%0.792SS**  trans72.4134.9148.3-74.90000118.5
52T30.3Very low33Very low135 Ų135131.5 Ų131.583%0.82879%0.793SS**  -169.4137.679.5-56.40000111.1
53A31.8Very low33.1Very low84 Ų84138.9 Ų138.969%0.69481%0.805SS**  trans-91.8164.6162.600000110
54P41Very low32.8Very low128 Ų128138.7 Ų138.783%0.83181%0.805SS**  -149.3152.393.631.6-11000114.2
55G28.6Very low32.6Very low80 Ų80136.1 Ų136.183%0.82581%0.806SS**  95.1135.998.700000110
56A30.6Very low32.6Very low96 Ų96134.6 Ų134.679%0.79380%0.803SS**  cis-164133.235.600000108
57R30.4Very low32.7Very low205 Ų205140.2 Ų140.277%0.77481%0.809SS**  65.3126104.8-93.2-176.7160.1-133.77.2118.8
58E31.2Very low32.1Very low161 Ų161138.6 Ų138.675%0.75281%0.812SS**  trans68.3140.4141.1-63.7170.5125.800117.2
59G29.6Very low32.5Very low68 Ų68142.1 Ų142.170%0.70182%0.819SS**  cis173.3148.85.700000109.1
60R34.3Very low32.3Very low242 Ų242144.2 Ų144.291%0.91382%0.822SS**  trans17127.7155-51.2177.8-140.4-124.5-0.3120.2
61S29.3Very low32.9Very low114 Ų114145.3 Ų145.380%0.79782%0.823SS**  146.2123.4108-77.80000114.8
62A33.7Very low33.7Very low92 Ų92145.3 Ų145.376%0.7682%0.82SS**  trans35.1131.1139.600000121.8
63R36.7Very low34.4Very low254 Ų254144.6 Ų144.696%0.95882%0.818SS**  -165.2148.7126.2-101.2160.4-155.4-101.35.6112
64R31.2Very low34.6Very low243 Ų243146.7 Ų146.792%0.91783%0.825SS**  trans-87.5179-173.1-59.8176.8-167-159.60.9112.4
65A31.1Very low34.4Very low102 Ų102152.3 Ų152.384%0.84383%0.829SS**  trans95142159.200000114.2
66A31.9Very low34.8Very low98 Ų98153.4 Ų153.481%0.8183%0.83SS**  cis-163.9171.2-300000108.7
67R33.1Very low35.2Very low253 Ų253154.7 Ų154.796%0.95583%0.833SS**  trans-37.2151.6175.5-64.3178.3165.5-146.9-3117
68G30.8Very low35.7Very low76 Ų76156.5 Ų156.578%0.78484%0.84SS**  trans174.6102.4154.100000113.6
69N37.5Very low36.1Very low166 Ų166154.9 Ų154.989%0.88884%0.844SS**  trans-63.5122.8165.4-91.2-60.6000110.2
70L37.7Very low36.4Very low168 Ų168156.6 Ų156.688%0.8885%0.851SS**  trans-146.6111.7158.2-75.8175.6000109.7
71E40.7Very low36.8Very low182 Ų182156 Ų15685%0.8585%0.849SS**PPolyproline II helixtrans-59.4134.7164.2-105.2-90.9109.100110.6
72P46.7Very low37.4Very low104 Ų104156.6 Ų156.668%0.67585%0.85SS**PPolyproline II helixtrans-92.9137.617011.74.5000113.1
73P44.3Very low37.6Very low120 Ų120159.9 Ų159.978%0.77985%0.854SS**PPolyproline II helixtrans-76.7170.4-176.432.8-35.7000113.9
74P36.6Very low37.8Very low128 Ų128159.1 Ų159.183%0.83185%0.851SS**PPolyproline II helixtrans-77.4157.3-161.931.5-34.1000114.3
75R36.7Very low38.4Very low247 Ų247154 Ų15493%0.93285%0.849SS**PPolyproline II helixtrans-55.1130.7-172.1-65.2174.1176.9-168.9-1.9114.1
76A36.6Very low39.2Very low102 Ų102152.5 Ų152.584%0.84384%0.844SS**PPolyproline II helixtrans-93.5124.7157.800000110.3
77S38.9Very low39.7Very low123 Ų123155.7 Ų155.786%0.8685%0.846SS**PPolyproline II helixtrans-72.1123.6177.7-56.70000111.1
78R40.4Very low40.2Very low243 Ų243153.1 Ų153.192%0.91785%0.845SS**  trans-105.1144.7165.1-98.8-175.8172.8-178.4-1.5110.5
79P39.9Very low40.6Very low127 Ų127157.3 Ų157.383%0.82584%0.844SS**PPolyproline II helixtrans-74.4150.8-174.230.3-33.2000112.4
80A37.4Very low40.9Very low104 Ų104161 Ų16186%0.8685%0.846SS**PPolyproline II helixtrans-72.9136.9-176.400000112.7
81R42Very low41.1Very low231 Ų231160.8 Ų160.887%0.87285%0.845SS**PPolyproline II helixtrans-81145.8169.4-164.8176.2-172-1723.4109.7
82P40.8Very low41.7Very low125 Ų125163.9 Ų163.981%0.81285%0.848SS**PPolyproline II helixtrans-63.8140.3-177.7-20.331.9000113.4
83L39.3Very low41.6Very low161 Ų161168.3 Ų168.384%0.84385%0.852SS**PPolyproline II helixtrans-72.6136.2-178.5-69.6162.3000112
84R41.3Very low41.6Very low239 Ų239173 Ų17390%0.90285%0.854SS**PPolyproline II helixtrans-79.7144.9160.5-81-170.5169.7-176-2.9110.1
85P42.9Very low41.8Very low135 Ų135173.5 Ų173.588%0.87786%0.857SS**SBendtrans-80.2135.1179.3-0.819000110.9
86G48.9Very low42.5Very low70 Ų70165.6 Ų165.672%0.72285%0.853SS**  trans13256.1167.100000116
87L40.8Very low43Very low165 Ų165163.7 Ų163.786%0.86484%0.837SS**  trans-164.9107.7156.7-111.4132.7000107.7Q89L87-Q89 PolarHBondContact O-N 2.8Å
88Q43.9Very low43.5Very low199 Ų199163.9 Ų163.993%0.9384%0.835SS**  trans-62.9107.1173.5-71.2-168.4-7.200108.6R90Q88-R90 PolarHBondContact O-N 2.84Å
89Q38.4Very low44Very low165 Ų165163 Ų16377%0.77183%0.832SS**  trans-61122.2174.4-70.2-175.919.600108.9L87 L91L87-Q89 PolarHBondContact O-N 2.8Å; Q89-L91 PolarHBondContact O-N 3.27Å
90R44.7Very low44.3Very low244 Ų244160.5 Ų160.592%0.92182%0.816SS**  trans-51.8105.8160.8-113179.1-179.5-1302.3107.5Q88 R92Q88-R90 PolarHBondContact O-N 2.84Å; R90-R92 PolarHBondContact O-N 2.73Å
91L42.9Very low44.9Very low163 Ų163166.4 Ų166.485%0.85382%0.816SS**  trans-57.8101.1172.1-71.3166.6000108.2Q89 R93Q89-L91 PolarHBondContact O-N 3.27Å; L91-R93 PolarHBondContact O-N 2.83Å; L91-R93 VanDerWaalsContact O-N 3.14Å
92R52.1Low45.3Very low246 Ų246162 Ų16293%0.92881%0.81SS**  trans-63.8112.1164.7-80.9-165.3176.8-171.60.8106.7R90 R94R90-R92 PolarHBondContact O-N 2.73Å; R92-R94 PolarHBondContact O-N 2.84Å
93R44.7Very low45.6Very low198 Ų198162.5 Ų162.575%0.74781%0.81SS**PPolyproline II helixtrans-60.8132174.3-70.1-171.6177.2-170.90.2109.2L91L91-R93 PolarHBondContact O-N 2.83Å; L91-R93 VanDerWaalsContact O-N 3.14Å
94R43.5Very low45.8Very low218 Ų218164.3 Ų164.382%0.82381%0.805SS**PPolyproline II helixtrans-54.2139.1170.9-83.1-177.8173.6176.3-2.3110R92 G96R92-R94 PolarHBondContact O-N 2.84Å; R94-G96 PolarHBondContact O-N 3.29Å
95P42.3Very low45.8Very low138 Ų138156 Ų15690%0.89678%0.784SS**THydrogen-bonded Turntrans-58.1125.7163.6-16.629.7000108.8
96G51.8Low46.1Very low82 Ų82156.7 Ų156.785%0.84578%0.779SS**THydrogen-bonded Turntrans104.13.8174.900000117.4R94R94-G96 PolarHBondContact O-N 3.29Å
97A45.7Very low45.9Very low62 Ų62159.4 Ų159.451%0.51277%0.771SS.*PPolyproline II helixtrans-73.5133.6170.200000111.1R99A97-R99 PolarHBondContact O-N 3Å
98P50.4Low46.1Very low126 Ų126159.3 Ų159.382%0.81877%0.766SS**PPolyproline II helixtrans-56.3127.8173.4-19.930.1000109.7
99R50.1Low46.1Very low225 Ų225158.1 Ų158.185%0.84976%0.761SS**PPolyproline II helixtrans-60.9138.5174.3-72.5-177.4176.2161.4-0.5108.8A97 R101A97-R99 PolarHBondContact O-N 3Å; R99-R101 PolarHBondContact O-N 3.2Å
100P45.8Very low46.4Very low75 Ų75155.4 Ų155.449%0.48776%0.757SS.*PPolyproline II helixtrans-52.5132.3166.2-21.531.7000109.1D102P100-D102 PolarHBondContact O-N 3.27Å
101R51.8Low46.6Very low227 Ų227151.8 Ų151.886%0.85775%0.751SS**THydrogen-bonded Turntrans-68.31.3-174.6-73.9-173.2174.4-136.40.4114.6R99R99-R101 PolarHBondContact O-N 3.2Å
102D50.3Low46.8Very low139 Ų139146.9 Ų146.974%0.74373%0.725SS**THydrogen-bonded Turntrans-114.422.5-170.6-59.9-40000115P100P100-D102 PolarHBondContact O-N 3.27Å
103V46.7Very low47Very low135 Ų135141.4 Ų141.482%0.81872%0.722SS**  trans-104.968.8156.3-168.30000107.6S105V103-S105 PolarHBondContact O-N 3.05Å
104R43.4Very low47.3Very low199 Ų199141.9 Ų141.975%0.75172%0.724SS**  trans-63.2124.6166.7-75.5-176.2169.2133.1-3.5107.5I106R104-I106 PolarHBondContact O-N 3.16Å
105S41.8Very low47.6Very low65 Ų65135.9 Ų135.946%0.45571%0.711SS.*  trans-52.4121.1167.3178.90000108.1V103 F107 E108V103-S105 PolarHBondContact O-N 3.05Å; S105-F107 PolarHBondContact O-N 2.88Å; S105-F107 PolarHBondContact OG-N 3.35Å; S105-E108 PolarHBondContact O-N 2.95Å
106I47.5Very low48.4Very low150 Ų150134.4 Ų134.477%0.76970%0.701SS**THydrogen-bonded Turntrans-63.2-7.4176.9-42.7168.6000110.6R104R104-I106 PolarHBondContact O-N 3.16Å
107F45.2Very low48.8Very low127 Ų127133.6 Ų133.656%0.55769%0.686SS**THydrogen-bonded Turntrans-97.3-9-177.3-62.5-78.6000114.9S105 I256S105-F107 PolarHBondContact O-N 2.88Å; S105-F107 PolarHBondContact OG-N 3.35Å; F107-I256 WeakPolarHBondContact CZ-O 3.45Å
108E45.4Very low50Low162 Ų162134.3 Ų134.376%0.75768%0.679SS**  trans-119.281168.1-78.9179.7148.900107.6S105 P110S105-E108 PolarHBondContact O-N 2.95Å; E108-P110 WeakPolarHBondContact O-CD 3.44Å
109Q43.4Very low50.9Low175 Ų175136.5 Ų136.582%0.81867%0.671SS**PPolyproline II helixtrans-64.7124.3157.5-76.8-166.3-4700106.9Q111Q109-Q111 PolarHBondContact O-N 3.33Å; Q109-Q111 VanDerWaalsContact O-N 3.13Å
110P46.1Very low51.7Low108 Ų108126.7 Ų126.770%0.70164%0.641SS**PPolyproline II helixtrans-52.2124.6158.5-15.728.7000106.1E108 D112E108-P110 WeakPolarHBondContact O-CD 3.44Å; P110-D112 PolarHBondContact O-N 3.21Å
111Q48Very low53.1Low167 Ų167126.9 Ų126.978%0.7864%0.635SS**PPolyproline II helixtrans-46.9119.1174.3-70.6176.3-1600107.4Q109 P113Q109-Q111 PolarHBondContact O-N 3.33Å; Q109-Q111 VanDerWaalsContact O-N 3.13Å; Q111-P113 WeakPolarHBondContact O-CD 3.37Å
112D47.8Very low54.4Low60 Ų60118 Ų11832%0.32161%0.614SS.*  trans-60.1113.9178.3-175-25.1000106.4P110 R114 V115P110-D112 PolarHBondContact O-N 3.21Å; D112-R114 PolarHBondContact O-N 2.96Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.3Å; D112-R114 WeakPolarHBondContact OD1-CG 3.31Å; D112-R114 IonicContact OD1-CZ 3.98Å; D112-R114 PolarHBondContact OD1-N 2.77Å; D112-R114 IonicContact OD1-NE 3.46Å; D112-R114 PolarHBondContact OD1-NE 3.29Å; D112-R114 IonicContact OD1-NH2 3.29Å; D112-R114 IonicContact OD2-CZ 3.83Å; D112-R114 IonicContact OD2-NE 2.7Å; D112-R114 PolarHBondContact OD2-NE 2.91Å; D112-R114 IonicContact OD2-NH2 3.22Å; D112-R114 PolarHBondContact OD2-NH2 2.75Å; D112-V115 HydrophobicContact CB-CB 4.47Å; D112-V115 HydrophobicContact CB-CG2 4.03Å; D112-V115 PolarHBondContact O-N 2.94Å
113P55.2Low56Low131 Ų131112.9 Ų112.985%0.85159%0.586SS**THydrogen-bonded Turntrans-61.7-11.2-174.2-22.133.6000113.4Q111Q111-P113 WeakPolarHBondContact O-CD 3.37Å
114R50.6Low57.8Low209 Ų209109.7 Ų109.779%0.78957%0.568SS**THydrogen-bonded Turntrans-87-15.7177.2-55.1173.3-65.4172.44.6112.9D112D112-R114 PolarHBondContact O-N 2.96Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.3Å; D112-R114 WeakPolarHBondContact OD1-CG 3.31Å; D112-R114 IonicContact OD1-CZ 3.98Å; D112-R114 PolarHBondContact OD1-N 2.77Å; D112-R114 IonicContact OD1-NE 3.46Å; D112-R114 PolarHBondContact OD1-NE 3.29Å; D112-R114 IonicContact OD1-NH2 3.29Å; D112-R114 IonicContact OD2-CZ 3.83Å; D112-R114 IonicContact OD2-NE 2.7Å; D112-R114 PolarHBondContact OD2-NE 2.91Å; D112-R114 IonicContact OD2-NH2 3.22Å; D112-R114 PolarHBondContact OD2-NH2 2.75Å
115V50.1Low59.9Low92 Ų92102 Ų10256%0.55854%0.54SS*.SBendtrans-97.3113.9175-177.90000107.3D112 A117D112-V115 HydrophobicContact CB-CB 4.47Å; D112-V115 HydrophobicContact CB-CG2 4.03Å; D112-V115 PolarHBondContact O-N 2.94Å; V115-A117 PolarHBondContact O-N 3.46Å
116P60.3Low62Low106 Ų106101.1 Ų101.169%0.68854%0.537SS*.  trans-55136.7174.4-23.233.9000110.1E118P116-E118 PolarHBondContact O-N 3.08Å; P116-E118 VanDerWaalsContact O-N 3.09Å
117A59.2Low63.8Low65 Ų65100.8 Ų100.854%0.53753%0.532SS..  trans-65.1112.3170.700000108.2V115V115-A117 PolarHBondContact O-N 3.46Å
118E70.7Confident65.4Low77 Ų7797.2 Ų97.236%0.3652%0.519SS..  trans-68.8132.3173.2-59.6-173.8-174.400108.7P116 Q167 L168 D169P116-E118 PolarHBondContact O-N 3.08Å; P116-E118 VanDerWaalsContact O-N 3.09Å; E118-Q167 CarbonylContact C-O 3.49Å; E118-Q167 WeakPolarHBondContact CB-O 3.41Å; E118-L168 WeakPolarHBondContact OE2-CA 2.99Å; E118-L168 WeakPolarHBondContact OE2-CD2 3.29Å; E118-D169 WeakPolarHBondContact CA-OD2 3.41Å; E118-D169 HydrophobicContact CB-CB 4.42Å; E118-D169 HydrophobicContact CG-CB 4.43Å; E118-D169 PolarHBondContact OE2-N 3.35Å
119R70.1Confident66.7Low172 Ų17294.4 Ų94.465%0.64951%0.513SS*.  trans-1150.7-176-68.5-162.7-63.7-102.9-3.6112.8E121 D169R119-E121 HydrophobicContact CB-CG 4.07Å; R119-E121 IonicContact CZ-OE1 3.36Å; R119-E121 IonicContact NE-OE1 2.92Å; R119-E121 PolarHBondContact NE-OE1 2.72Å; R119-E121 IonicContact NH2-OE1 3.76Å; R119-E121 PolarHBondContact NH2-OE1 2.96Å; R119-E121 IonicContact NH2-OE2 3.92Å; R119-E121 PolarHBondContact NH2-OE2 3.24Å; R119-D169 PolarHBondContact N-OD1 3.21Å
120G67.6Low67.8Low20 Ų2088.4 Ų88.421%0.20649%0.486CS..SBendtrans8520.8-172.800000113.7I166 Q167 L168 D169G120-I166 WeakPolarHBondContact CA-O 3.49Å; G120-Q167 PolarHBondContact N-O 2.85Å; G120-L168 WeakPolarHBondContact CA-O 3.45Å; G120-D169 WeakPolarHBondContact CA-OD1 3.17Å; G120-D169 PolarHBondContact N-OD1 2.78Å
121E74Confident68.3Low79 Ų7989.6 Ų89.637%0.36949%0.494SS..THydrogen-bonded Turntrans-78.8156.7-173.3-69.7179.9-17300112.7R119 H123 D169 C170R119-E121 HydrophobicContact CB-CG 4.07Å; R119-E121 IonicContact CZ-OE1 3.36Å; R119-E121 IonicContact NE-OE1 2.92Å; R119-E121 PolarHBondContact NE-OE1 2.72Å; R119-E121 IonicContact NH2-OE1 3.76Å; R119-E121 PolarHBondContact NH2-OE1 2.96Å; R119-E121 IonicContact NH2-OE2 3.92Å; R119-E121 PolarHBondContact NH2-OE2 3.24Å; E121-H123 PolarHBondContact O-N 3.38Å; E121-D169 PolarHBondContact N-OD1 2.8Å; E121-C170 WeakPolarHBondContact O-CB 3.24Å; E121-C170 PolarHBondContact O-N 2.67Å
122G80.1Confident68.7Low41 Ų4185.6 Ų85.642%0.42350%0.497SS..THydrogen-bonded Turntrans82.6-3.317200000116.8N153 C170G122-N153 PolarHBondContact O-ND2 2.9Å; G122-C170 VanDerWaalsContact O-CB 3.28Å; G122-C170 WeakPolarHBondContact O-CB 3.45Å
123H82.4Confident69.4Low31 Ų3184.7 Ų84.714%0.14450%0.502CS..  trans-77.5126.9176.6-69.3-84.4000112.3E121 F125 C151 C154 L168E121-H123 PolarHBondContact O-N 3.38Å; H123-F125 HydrophobicContact CB-CD2 3.85Å; H123-F125 HydrophobicContact CB-CE2 3.3Å; H123-F125 HydrophobicContact CB-CZ 3.68Å; H123-F125 AromaticContact CG-CE2 3.86Å; H123-F125 AromaticContact CG-CZ 3.79Å; H123-F125 AromaticContact ND1-CZ 3.9Å; H123-C151 HydrophobicContact CB-CB 4.43Å; H123-C151 PolarHBondContact ND1-SG 3.48Å; H123-C151 VanDerWaalsContact ND1-SG 3.4Å; H123-C154 PolarHBondContact CE1-SG 2.83Å; H123-C154 PolarHBondContact ND1-SG 3.16Å; H123-L168 PolarHBondContact CD2-O 2.87Å; H123-L168 PolarHBondContact NE2-O 3.17Å
124C86.1Confident69.8Low67 Ų6781.8 Ų81.845%0.45348%0.483SS..  trans-105.988.4172-174.90000109.2C151 T152C124-C151 PolarHBondContact N-SG 2.95Å; C124-C151 VanDerWaalsContact N-SG 3.42Å; C124-C151 CarbonylContact O-C 3.58Å; C124-C151 VanDerWaalsContact O-CA 3.26Å; C124-C151 WeakPolarHBondContact O-CA 3.24Å; C124-T152 WeakPolarHBondContact CB-OG1 3.4Å; C124-T152 PolarHBondContact O-N 3.46Å; C124-T152 PolarHBondContact O-OG1 2.93Å
125F87.5Confident70.9Confident38 Ų3872.3 Ų72.317%0.16745%0.45CS..EExtended strand (participates in β ladder)trans-77.9122.6-178.3-72.4-69.4000111.6H123 L149 C151 F156 R163 I166H123-F125 HydrophobicContact CB-CD2 3.85Å; H123-F125 HydrophobicContact CB-CE2 3.3Å; H123-F125 HydrophobicContact CB-CZ 3.68Å; H123-F125 AromaticContact CG-CE2 3.86Å; H123-F125 AromaticContact CG-CZ 3.79Å; H123-F125 AromaticContact ND1-CZ 3.9Å; F125-L149 HydrophobicContact CB-CB 4.12Å; F125-L149 HydrophobicContact CB-CD1 4.38Å; F125-L149 HydrophobicContact CD1-CB 3.8Å; F125-L149 HydrophobicContact CG-CB 4.18Å; F125-C151 HydrophobicContact CD1-CB 4Å; F125-C151 HydrophobicContact CE1-CB 3.78Å; F125-C151 HydrophobicContact CZ-CB 4.35Å; F125-F156 HydrophobicContact CE1-CD1 4.08Å; F125-F156 HydrophobicContact CZ-CD1 4.11Å; F125-R163 HydrophobicContact CD2-CG 4.17Å; F125-R163 HydrophobicContact CE2-CG 4.31Å; F125-I166 HydrophobicContact CE1-CD1 4.29Å; F125-I166 HydrophobicContact CE2-CD1 3.88Å; F125-I166 HydrophobicContact CZ-CD1 3.42Å; F125-I166 VanDerWaalsContact CZ-CD1 3.42Å
126A85.4Confident72.3Confident46 Ų4672.4 Ų72.438%0.3844%0.441SS..EExtended strand (participates in β ladder)trans-107.8147.616700000109.8L128 R150 T152A126-L128 PolarHBondContact O-N 3.02Å; A126-R150 PolarHBondContact N-O 3.34Å; A126-R150 PolarHBondContact O-N 3.15Å; A126-T152 HydrophobicContact CB-CG2 4.01Å
127E84.6Confident73.4Confident144 Ų14467.4 Ų67.467%0.67341%0.408SS*.EExtended strand (participates in β ladder)trans-64.7125.9172.1-72.4-176.6-175.500110.1L149E127-L149 HydrophobicContact CG-CD2 3.96Å
128L79.2Confident74.4Confident51 Ų5165.5 Ų65.527%0.26739%0.389SS..EExtended strand (participates in β ladder)trans-107.1100.8172.1-175.573.3000107.5A126 L130 A148 R150A126-L128 PolarHBondContact O-N 3.02Å; L128-L130 HydrophobicContact CD2-CD2 3.71Å; L128-L130 HydrophobicContact CD2-CG 4.43Å; L128-L130 HydrophobicContact CG-CD2 4.13Å; L128-L130 HydrophobicContact CG-CG 4.48Å; L128-A148 WeakPolarHBondContact CA-O 3.49Å; L128-A148 HydrophobicContact CB-CB 4.44Å; L128-A148 WeakPolarHBondContact CB-O 3.34Å; L128-A148 PolarHBondContact N-O 3.37Å; L128-A148 PolarHBondContact O-N 3.07Å; L128-R150 HydrophobicContact CB-CB 4.11Å; L128-R150 HydrophobicContact CD2-CB 4.26Å
129V72.1Confident74.8Confident104 Ų10463.9 Ų63.963%0.6338%0.382SS*.EExtended strand (participates in β ladder)trans-70.2131161.8-176.30000106.6P131V129-P131 WeakPolarHBondContact O-CD 3.12Å
130L67.6Low75.1Confident49 Ų4956.2 Ų56.226%0.25736%0.355SS..  trans-100.491-179.4-67.9160.8000108.8L128 G132 G133 V144 A148L128-L130 HydrophobicContact CD2-CD2 3.71Å; L128-L130 HydrophobicContact CD2-CG 4.43Å; L128-L130 HydrophobicContact CG-CD2 4.13Å; L128-L130 HydrophobicContact CG-CG 4.48Å; L130-G132 PolarHBondContact O-N 2.7Å; L130-G133 WeakPolarHBondContact CB-O 3.36Å; L130-V144 WeakPolarHBondContact CD1-O 3.34Å; L130-A148 HydrophobicContact CD1-CB 4.29Å
131P55.9Low75.3Confident133 Ų13356.7 Ų56.786%0.86436%0.36SS*.THydrogen-bonded Turntrans-74.88.4-17029-37.4000115.2V129V129-P131 WeakPolarHBondContact O-CD 3.12Å
132G56.8Low75.5Confident82 Ų8260.6 Ų60.685%0.84537%0.371SS*.THydrogen-bonded Turntrans-159.517.8-171.100000117.1L130L130-G132 PolarHBondContact O-N 2.7Å
133G61.3Low75.4Confident42 Ų4262.7 Ų62.743%0.43337%0.37SS..SBendtrans155.6173.1176.200000113.6L130L130-G133 WeakPolarHBondContact CB-O 3.36Å
134P63.7Low75.4Confident70 Ų7061.4 Ų61.446%0.45536%0.364SS..  trans-70.7140.6-178.626.6-32.5000113.1E143 L145P134-E143 HydrophobicContact CB-CG 3.45Å; P134-E143 VanDerWaalsContact CB-CG 3.45Å; P134-E143 WeakPolarHBondContact CB-OE1 3.45Å; P134-E143 HydrophobicContact CG-CG 4.45Å; P134-E143 WeakPolarHBondContact CG-OE1 3.26Å; P134-L145 HydrophobicContact CB-CD2 4.45Å
135G73.5Confident74.3Confident9 Ų964.4 Ų64.49%0.09338%0.375CS..EExtended strand (participates in β ladder)trans-95.3176173.400000111.6E143 V144G135-E143 CarbonylContact O-C 3.59Å; G135-E143 WeakPolarHBondContact O-CA 3.28Å; G135-V144 PolarHBondContact N-O 3.48Å; G135-V144 PolarHBondContact O-N 3.22Å
136W80.3Confident73.3Confident95 Ų9572.7 Ų72.736%0.3641%0.405SS..EExtended strand (participates in β ladder)trans-130.4138178.7-60.692000111.1E143 V144 N314W136-E143 HydrophobicContact CZ3-CB 4.29Å; W136-V144 VanDerWaalsContact C-CG2 3.48Å; W136-N314 VanDerWaalsContact CD2-ND2 3.26Å; W136-N314 PolarHBondContact NE1-ND2 3.44Å
137C83.8Confident72.8Confident0 Ų076.3 Ų76.30%041%0.414CS..  trans-85125.4175.2176.80000110.8L139 C140 G141 R142 V144 T157 H159 C162C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.08Å; C137-L139 PolarHBondContact SG-N 2.89Å; C137-C140 VanDerWaalsContact SG-SG 3.66Å; C137-G141 WeakPolarHBondContact O-CA 3.21Å; C137-G141 PolarHBondContact O-N 3.47Å; C137-R142 PolarHBondContact N-O 3.23Å; C137-V144 HydrophobicContact CB-CG2 4.01Å; C137-T157 CarbonylContact C-O 3.53Å; C137-H159 WeakPolarHBondContact CB-CE1 3.13Å; C137-H159 WeakPolarHBondContact CB-ND1 3.31Å; C137-H159 PolarHBondContact SG-N 3.4Å; C137-H159 PolarHBondContact SG-ND1 2.94Å; C137-C162 VanDerWaalsContact SG-SG 3.65Å
138D80.5Confident72.9Confident25 Ų2569.5 Ų69.513%0.13438%0.383CS..THydrogen-bonded Turntrans-67.6-26.5177.7-72.5-38.8000112.9F156 T157 K317D138-F156 HydrophobicContact CB-CD1 4.31Å; D138-F156 HydrophobicContact CB-CD2 3.82Å; D138-F156 HydrophobicContact CB-CE1 4.02Å; D138-F156 HydrophobicContact CB-CE2 3.49Å; D138-F156 VanDerWaalsContact CB-CE2 3.49Å; D138-F156 HydrophobicContact CB-CG 4.22Å; D138-F156 HydrophobicContact CB-CZ 3.61Å; D138-F156 WeakPolarHBondContact OD2-CA 3.35Å; D138-T157 VanDerWaalsContact CB-O 3.3Å; D138-T157 WeakPolarHBondContact CB-O 3.35Å; D138-T157 PolarHBondContact N-O 2.9Å; D138-T157 PolarHBondContact OD2-N 2.89Å; D138-K317 WeakPolarHBondContact OD1-CE 3.48Å; D138-K317 IonicContact OD1-NZ 2.74Å; D138-K317 PolarHBondContact OD1-NZ 3.49Å
139L78.4Confident73.3Confident43 Ų4367.8 Ų67.823%0.22537%0.374CS..THydrogen-bonded Turntrans-79.5-52.7178.9-174.269.1000112.8C137 F156 C162 L165 I166C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.08Å; C137-L139 PolarHBondContact SG-N 2.89Å; L139-F156 HydrophobicContact CB-CZ 4.32Å; L139-C162 HydrophobicContact CB-CB 4.24Å; L139-C162 HydrophobicContact CD2-CB 3.7Å; L139-C162 WeakPolarHBondContact CD2-O 3.06Å; L139-L165 HydrophobicContact CD2-CB 3.55Å; L139-L165 HydrophobicContact CD2-CD1 4.49Å; L139-I166 HydrophobicContact CD2-CG1 4.39Å
140C77.4Confident74.1Confident11 Ų1167.5 Ų67.57%0.07436%0.361CS..THydrogen-bonded Turntrans-102.7-11.4-172.773.80000114.1C137 R142 H159 R277C137-C140 VanDerWaalsContact SG-SG 3.66Å; C140-R142 PolarHBondContact O-N 2.77Å; C140-H159 PolarHBondContact SG-CE1 3.41Å; C140-H159 PolarHBondContact SG-ND1 3.2Å; C140-R277 PolarHBondContact O-NE 2.98Å; C140-R277 PolarHBondContact O-NH2 2.88Å
141G71.2Confident74.9Confident30 Ų3065.1 Ų65.131%0.30935%0.349SS..  trans73.43.5-178.200000114.8C137C137-G141 WeakPolarHBondContact O-CA 3.21Å; C137-G141 PolarHBondContact O-N 3.47Å
142R76.9Confident76.3Confident162 Ų16262.6 Ų62.661%0.61133%0.331SS*.  trans-88.3159.9179.9-62.2-178.5-76.7-159.6-1.9112.1C137 C140C137-R142 PolarHBondContact N-O 3.23Å; C140-R142 PolarHBondContact O-N 2.77Å
143E78.4Confident77.3Confident85 Ų8561.6 Ų61.640%0.39731%0.306SS..EExtended strand (participates in β ladder)trans-64.3144.8178.9-158.9175-162.700112P134 G135 W136 L145 H159P134-E143 HydrophobicContact CB-CG 3.45Å; P134-E143 VanDerWaalsContact CB-CG 3.45Å; P134-E143 WeakPolarHBondContact CB-OE1 3.45Å; P134-E143 HydrophobicContact CG-CG 4.45Å; P134-E143 WeakPolarHBondContact CG-OE1 3.26Å; G135-E143 CarbonylContact O-C 3.59Å; G135-E143 WeakPolarHBondContact O-CA 3.28Å; W136-E143 HydrophobicContact CZ3-CB 4.29Å; E143-L145 VanDerWaalsContact CD-CD2 3.49Å; E143-L145 HydrophobicContact CG-CD2 3.88Å; E143-L145 HydrophobicContact CG-CG 4.34Å; E143-H159 PolarHBondContact O-NE2 3.34Å
144V82.6Confident78.1Confident4 Ų460.1 Ų60.12%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-119.1105.2177.7-152.30000107.1L130 G135 W136 C137 Q147 A148L130-V144 WeakPolarHBondContact CD1-O 3.34Å; G135-V144 PolarHBondContact N-O 3.48Å; G135-V144 PolarHBondContact O-N 3.22Å; W136-V144 VanDerWaalsContact C-CG2 3.48Å; C137-V144 HydrophobicContact CB-CG2 4.01Å; V144-Q147 VanDerWaalsContact CG1-O 3.27Å; V144-Q147 WeakPolarHBondContact CG1-O 3.45Å; V144-A148 HydrophobicContact CB-CB 4.13Å; V144-A148 HydrophobicContact CG1-CB 3.68Å; V144-A148 HydrophobicContact CG2-CB 4.44Å
145L64.3Low78.9Confident130 Ų13062.4 Ų62.468%0.68129%0.292SS*.  trans-87.4-17.7-162.7-69.7168.5000114.3P134 E143P134-L145 HydrophobicContact CB-CD2 4.45Å; E143-L145 VanDerWaalsContact CD-CD2 3.49Å; E143-L145 HydrophobicContact CG-CD2 3.88Å; E143-L145 HydrophobicContact CG-CG 4.34Å
146R64.6Low79.2Confident211 Ų21163.1 Ų63.180%0.79629%0.293SS*.SBendtrans-149-45.3-175.9-72.1-170.3167.4169.9-4.9115.7
147Q76.1Confident79.5Confident122 Ų12259.5 Ų59.557%0.5728%0.281SS*.EExtended strand (participates in β ladder)trans-130.4106.7-176-70.4175.6-11.100109V144 P160V144-Q147 VanDerWaalsContact CG1-O 3.27Å; V144-Q147 WeakPolarHBondContact CG1-O 3.45Å; Q147-P160 WeakPolarHBondContact O-CD 3.43Å
148A86.3Confident79.7Confident1 Ų159.5 Ų59.51%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-105.8146.6170.700000108.9L128 L130 V144 T157L128-A148 WeakPolarHBondContact CA-O 3.49Å; L128-A148 HydrophobicContact CB-CB 4.44Å; L128-A148 WeakPolarHBondContact CB-O 3.34Å; L128-A148 PolarHBondContact N-O 3.37Å; L128-A148 PolarHBondContact O-N 3.07Å; L130-A148 HydrophobicContact CD1-CB 4.29Å; V144-A148 HydrophobicContact CB-CB 4.13Å; V144-A148 HydrophobicContact CG1-CB 3.68Å; V144-A148 HydrophobicContact CG2-CB 4.44Å; A148-T157 HydrophobicContact CB-CG2 3.8Å
149L88Confident80Confident16 Ų1659.6 Ų59.68%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-93.3129.1166.3-66.1-179.2000108F125 E127 T157 C158 R163F125-L149 HydrophobicContact CB-CB 4.12Å; F125-L149 HydrophobicContact CB-CD1 4.38Å; F125-L149 HydrophobicContact CD1-CB 3.8Å; F125-L149 HydrophobicContact CG-CB 4.18Å; E127-L149 HydrophobicContact CG-CD2 3.96Å; L149-T157 CarbonylContact O-C 3.54Å; L149-T157 WeakPolarHBondContact O-CA 3.26Å; L149-C158 PolarHBondContact N-O 2.92Å; L149-C158 PolarHBondContact O-N 2.98Å; L149-R163 HydrophobicContact CD1-CB 4.02Å; L149-R163 HydrophobicContact CD1-CG 4.23Å
150R87.6Confident80.4Confident97 Ų9760 Ų6037%0.36629%0.286SS..EExtended strand (participates in β ladder)trans-120.7124.6173.4-170.8176.7-169.2172.29.8110.2A126 L128 T152 F156A126-R150 PolarHBondContact N-O 3.34Å; A126-R150 PolarHBondContact O-N 3.15Å; L128-R150 HydrophobicContact CB-CB 4.11Å; L128-R150 HydrophobicContact CD2-CB 4.26Å; R150-T152 PolarHBondContact O-N 3.26Å; R150-F156 CarbonylContact C-O 3.56Å; R150-F156 WeakPolarHBondContact CA-O 3.42Å
151C86.4Confident80.7Confident0 Ų065.9 Ų65.90%031%0.312CS..EExtended strand (participates in β ladder)trans-65.8123.3173-178.80000109.6H123 C124 F125 N153 C154 K155 F156H123-C151 HydrophobicContact CB-CB 4.43Å; H123-C151 PolarHBondContact ND1-SG 3.48Å; H123-C151 VanDerWaalsContact ND1-SG 3.4Å; C124-C151 PolarHBondContact N-SG 2.95Å; C124-C151 VanDerWaalsContact N-SG 3.42Å; C124-C151 CarbonylContact O-C 3.58Å; C124-C151 VanDerWaalsContact O-CA 3.26Å; C124-C151 WeakPolarHBondContact O-CA 3.24Å; F125-C151 HydrophobicContact CD1-CB 4Å; F125-C151 HydrophobicContact CE1-CB 3.78Å; F125-C151 HydrophobicContact CZ-CB 4.35Å; C151-N153 PolarHBondContact O-N 3.41Å; C151-C154 PolarHBondContact SG-SG 3.17Å; C151-K155 WeakPolarHBondContact O-CA 3.42Å; C151-K155 PolarHBondContact O-N 3.07Å; C151-F156 HydrophobicContact CB-CB 4.17Å; C151-F156 PolarHBondContact N-O 3.4Å
152T83.4Confident81.2Confident80 Ų8064.9 Ų64.949%0.49130%0.301SS..THydrogen-bonded Turntrans-64.1-30.7178.753.90000111.8C124 A126 R150C124-T152 WeakPolarHBondContact CB-OG1 3.4Å; C124-T152 PolarHBondContact O-N 3.46Å; C124-T152 PolarHBondContact O-OG1 2.93Å; A126-T152 HydrophobicContact CB-CG2 4.01Å; R150-T152 PolarHBondContact O-N 3.26Å
153N79.3Confident81.5Confident60 Ų6064.4 Ų64.432%0.32130%0.299SS..THydrogen-bonded Turntrans-80-57.2-174.9-63.2-20.4000112.3G122 C151 C170 Q172G122-N153 PolarHBondContact O-ND2 2.9Å; C151-N153 PolarHBondContact O-N 3.41Å; N153-C170 VanDerWaalsContact CB-SG 3.52Å; N153-Q172 VanDerWaalsContact CA-NE2 3.35Å; N153-Q172 HydrophobicContact CB-CB 4.19Å; N153-Q172 HydrophobicContact CB-CG 4.06Å; N153-Q172 PolarHBondContact O-NE2 3.35Å
154C77Confident81.6Confident12 Ų1265.4 Ų65.48%0.08132%0.315CS..THydrogen-bonded Turntrans-106.11.1-174.2670000113.8H123 C151 F156 C170 S171 R248H123-C154 PolarHBondContact CE1-SG 2.83Å; H123-C154 PolarHBondContact ND1-SG 3.16Å; C151-C154 PolarHBondContact SG-SG 3.17Å; C154-F156 PolarHBondContact O-N 2.76Å; C154-F156 VanDerWaalsContact O-N 3.17Å; C154-F156 WeakPolarHBondContact SG-CB 3.43Å; C154-C170 VanDerWaalsContact SG-SG 3.65Å; C154-S171 WeakPolarHBondContact CB-OG 3.03Å; C154-R248 VanDerWaalsContact O-CZ 3.3Å; C154-R248 PolarHBondContact O-NH2 3.23Å
155K80.6Confident81.5Confident117 Ų11770.6 Ų70.651%0.50934%0.342SS..  trans58.819.7-176.6-51.3-165.8178.9-167.40114.5C151 T157C151-K155 WeakPolarHBondContact O-CA 3.42Å; C151-K155 PolarHBondContact O-N 3.07Å; K155-T157 PolarHBondContact O-N 3.17Å; K155-T157 PolarHBondContact O-OG1 3.2Å
156F81.2Confident82.2Confident25 Ų2564.9 Ų64.911%0.1131%0.312CS..  trans-64.2126.3170.9-168.8-88.7000109.1F125 D138 L139 R150 C151 C154 C158 I166 L168F125-F156 HydrophobicContact CE1-CD1 4.08Å; F125-F156 HydrophobicContact CZ-CD1 4.11Å; D138-F156 HydrophobicContact CB-CD1 4.31Å; D138-F156 HydrophobicContact CB-CD2 3.82Å; D138-F156 HydrophobicContact CB-CE1 4.02Å; D138-F156 HydrophobicContact CB-CE2 3.49Å; D138-F156 VanDerWaalsContact CB-CE2 3.49Å; D138-F156 HydrophobicContact CB-CG 4.22Å; D138-F156 HydrophobicContact CB-CZ 3.61Å; D138-F156 WeakPolarHBondContact OD2-CA 3.35Å; L139-F156 HydrophobicContact CB-CZ 4.32Å; R150-F156 CarbonylContact C-O 3.56Å; R150-F156 WeakPolarHBondContact CA-O 3.42Å; C151-F156 HydrophobicContact CB-CB 4.17Å; C151-F156 PolarHBondContact N-O 3.4Å; C154-F156 PolarHBondContact O-N 2.76Å; C154-F156 VanDerWaalsContact O-N 3.17Å; C154-F156 WeakPolarHBondContact SG-CB 3.43Å; F156-C158 HydrophobicContact CD1-CB 4.29Å; F156-C158 HydrophobicContact CE1-CB 3.92Å; F156-I166 HydrophobicContact CD1-CD1 4.01Å; F156-I166 HydrophobicContact CE1-CD1 3.54Å; F156-I166 HydrophobicContact CE1-CG1 3.96Å; F156-I166 HydrophobicContact CE1-CG2 4.48Å; F156-I166 HydrophobicContact CZ-CD1 4.48Å; F156-I166 HydrophobicContact CZ-CG1 4.48Å; F156-L168 HydrophobicContact CE2-CD1 4.09Å
157T86.2Confident83Confident19 Ų1962 Ų6212%0.11731%0.308CS..EExtended strand (participates in β ladder)trans-113.4128.2-176.3-50.50000109C137 D138 A148 L149 K155C137-T157 CarbonylContact C-O 3.53Å; D138-T157 VanDerWaalsContact CB-O 3.3Å; D138-T157 WeakPolarHBondContact CB-O 3.35Å; D138-T157 PolarHBondContact N-O 2.9Å; D138-T157 PolarHBondContact OD2-N 2.89Å; A148-T157 HydrophobicContact CB-CG2 3.8Å; L149-T157 CarbonylContact O-C 3.54Å; L149-T157 WeakPolarHBondContact O-CA 3.26Å; K155-T157 PolarHBondContact O-N 3.17Å; K155-T157 PolarHBondContact O-OG1 3.2Å
158C86.8Confident83Confident0 Ų057.5 Ų57.50%029%0.288CS..EExtended strand (participates in β ladder)trans-141.8164.3-18069.20000112.3L149 F156 C162 I166L149-C158 PolarHBondContact N-O 2.92Å; L149-C158 PolarHBondContact O-N 2.98Å; F156-C158 HydrophobicContact CD1-CB 4.29Å; F156-C158 HydrophobicContact CE1-CB 3.92Å; C158-C162 HydrophobicContact CB-CB 4.07Å; C158-I166 HydrophobicContact CB-CD1 4.17Å
159H88Confident82.8Confident27 Ų2759.8 Ų59.813%0.12530%0.3CS..  trans-64.3152.9164.3-6097.6000110.5C137 C140 E143 E161 C162 R163C137-H159 WeakPolarHBondContact CB-CE1 3.13Å; C137-H159 WeakPolarHBondContact CB-ND1 3.31Å; C137-H159 PolarHBondContact SG-N 3.4Å; C137-H159 PolarHBondContact SG-ND1 2.94Å; C140-H159 PolarHBondContact SG-CE1 3.41Å; C140-H159 PolarHBondContact SG-ND1 3.2Å; E143-H159 PolarHBondContact O-NE2 3.34Å; H159-E161 VanDerWaalsContact CB-OE2 3.31Å; H159-E161 WeakPolarHBondContact CB-OE2 3.15Å; H159-E161 PolarHBondContact O-N 3.41Å; H159-C162 HydrophobicContact CB-CB 3.94Å; H159-C162 WeakPolarHBondContact O-CB 3.32Å; H159-C162 PolarHBondContact O-N 2.95Å; H159-C162 VanDerWaalsContact O-N 3.08Å; H159-R163 PolarHBondContact O-N 3.29Å
160P85.2Confident82.5Confident50 Ų5059.2 Ų59.233%0.32530%0.297SS..THydrogen-bonded Turntrans-52.8-41.2169.1-25.635.4000112.4Q147 C162 R163Q147-P160 WeakPolarHBondContact O-CD 3.43Å; P160-C162 VanDerWaalsContact C-N 3.32Å; P160-C162 PolarHBondContact O-N 2.86Å; P160-R163 VanDerWaalsContact O-CB 3.26Å; P160-R163 WeakPolarHBondContact O-CB 3.24Å; P160-R163 PolarHBondContact O-N 2.7Å
161E84.2Confident81.6Confident135 Ų13557.8 Ų57.863%0.63130%0.302SS*.THydrogen-bonded Turntrans-73.6-26-179.9-51.374.3-157.100112.2H159 R163H159-E161 VanDerWaalsContact CB-OE2 3.31Å; H159-E161 WeakPolarHBondContact CB-OE2 3.15Å; H159-E161 PolarHBondContact O-N 3.41Å; E161-R163 VanDerWaalsContact C-N 3.28Å
162C83.2Confident80.4Confident10 Ų1063 Ų637%0.06833%0.326CS..THydrogen-bonded Turntrans-76.4-17176.8-74.70000112.4C137 L139 C158 H159 P160 S164 L165 I166C137-C162 VanDerWaalsContact SG-SG 3.65Å; L139-C162 HydrophobicContact CB-CB 4.24Å; L139-C162 HydrophobicContact CD2-CB 3.7Å; L139-C162 WeakPolarHBondContact CD2-O 3.06Å; C158-C162 HydrophobicContact CB-CB 4.07Å; H159-C162 HydrophobicContact CB-CB 3.94Å; H159-C162 WeakPolarHBondContact O-CB 3.32Å; H159-C162 PolarHBondContact O-N 2.95Å; H159-C162 VanDerWaalsContact O-N 3.08Å; P160-C162 VanDerWaalsContact C-N 3.32Å; P160-C162 PolarHBondContact O-N 2.86Å; C162-S164 VanDerWaalsContact C-N 3.33Å; C162-S164 PolarHBondContact O-N 3.33Å; C162-L165 PolarHBondContact O-N 2.98Å; C162-L165 VanDerWaalsContact O-N 3.07Å; C162-I166 WeakPolarHBondContact O-CG1 3.35Å
163R83.3Confident79Confident151 Ų15163.4 Ų63.457%0.5732%0.322SS*.G310 helixtrans-55-45.2-175.4-178.5-174.7172.1178.2-1.9112.9F125 L149 H159 P160 E161 L165 I166F125-R163 HydrophobicContact CD2-CG 4.17Å; F125-R163 HydrophobicContact CE2-CG 4.31Å; L149-R163 HydrophobicContact CD1-CB 4.02Å; L149-R163 HydrophobicContact CD1-CG 4.23Å; H159-R163 PolarHBondContact O-N 3.29Å; P160-R163 VanDerWaalsContact O-CB 3.26Å; P160-R163 WeakPolarHBondContact O-CB 3.24Å; P160-R163 PolarHBondContact O-N 2.7Å; E161-R163 VanDerWaalsContact C-N 3.28Å; R163-L165 PolarHBondContact O-N 2.99Å; R163-I166 PolarHBondContact O-N 2.98Å
164S79.1Confident77.5Confident107 Ų10768.3 Ų68.375%0.74834%0.344SS*.G310 helixtrans-73.3-11.5-177.354.60000113.7C162C162-S164 VanDerWaalsContact C-N 3.33Å; C162-S164 PolarHBondContact O-N 3.33Å
165L81.2Confident76Confident112 Ų11270.9 Ų70.959%0.58637%0.372SS*.G310 helixtrans-98.9-1.4-178.3-58.9177.5000112.5L139 C162 R163 Q167L139-L165 HydrophobicContact CD2-CB 3.55Å; L139-L165 HydrophobicContact CD2-CD1 4.49Å; C162-L165 PolarHBondContact O-N 2.98Å; C162-L165 VanDerWaalsContact O-N 3.07Å; R163-L165 PolarHBondContact O-N 2.99Å; L165-Q167 PolarHBondContact O-N 2.92Å
166I79.8Confident74.4Confident11 Ų1173.3 Ų73.36%0.05639%0.39CS..  trans-77.5110.5-179.9-59.1170.4000108.3G120 F125 L139 F156 C158 C162 R163 L168G120-I166 WeakPolarHBondContact CA-O 3.49Å; F125-I166 HydrophobicContact CE1-CD1 4.29Å; F125-I166 HydrophobicContact CE2-CD1 3.88Å; F125-I166 HydrophobicContact CZ-CD1 3.42Å; F125-I166 VanDerWaalsContact CZ-CD1 3.42Å; L139-I166 HydrophobicContact CD2-CG1 4.39Å; F156-I166 HydrophobicContact CD1-CD1 4.01Å; F156-I166 HydrophobicContact CE1-CD1 3.54Å; F156-I166 HydrophobicContact CE1-CG1 3.96Å; F156-I166 HydrophobicContact CE1-CG2 4.48Å; F156-I166 HydrophobicContact CZ-CD1 4.48Å; F156-I166 HydrophobicContact CZ-CG1 4.48Å; C158-I166 HydrophobicContact CB-CD1 4.17Å; C162-I166 WeakPolarHBondContact O-CG1 3.35Å; R163-I166 PolarHBondContact O-N 2.98Å; I166-L168 HydrophobicContact CG2-CB 4.13Å
167Q79.6Confident72.7Confident149 Ų14975.8 Ų75.870%0.69641%0.41SS*.  trans-99.44171.1-64.6-179.6-9.600112E118 G120 L165E118-Q167 CarbonylContact C-O 3.49Å; E118-Q167 WeakPolarHBondContact CB-O 3.41Å; G120-Q167 PolarHBondContact N-O 2.85Å; L165-Q167 PolarHBondContact O-N 2.92Å
168L77.8Confident70.3Confident29 Ų2986.3 Ų86.315%0.15245%0.447CS..PPolyproline II helixtrans-88.7122.7-179.9-74.7170.9000110.5E118 G120 H123 F156 I166 P249 S279E118-L168 WeakPolarHBondContact OE2-CA 2.99Å; E118-L168 WeakPolarHBondContact OE2-CD2 3.29Å; G120-L168 WeakPolarHBondContact CA-O 3.45Å; H123-L168 PolarHBondContact CD2-O 2.87Å; H123-L168 PolarHBondContact NE2-O 3.17Å; F156-L168 HydrophobicContact CE2-CD1 4.09Å; I166-L168 HydrophobicContact CG2-CB 4.13Å; L168-P249 HydrophobicContact CD2-CG 4.33Å; L168-S279 WeakPolarHBondContact CD2-OG 3.43Å
169D80.6Confident67.9Low49 Ų4994.6 Ų94.626%0.26249%0.492SS..PPolyproline II helixtrans-71.3160.3177.5-68.6-18.1000111.9E118 R119 G120 E121 S171E118-D169 WeakPolarHBondContact CA-OD2 3.41Å; E118-D169 HydrophobicContact CB-CB 4.42Å; E118-D169 HydrophobicContact CG-CB 4.43Å; E118-D169 PolarHBondContact OE2-N 3.35Å; R119-D169 PolarHBondContact N-OD1 3.21Å; G120-D169 WeakPolarHBondContact CA-OD1 3.17Å; G120-D169 PolarHBondContact N-OD1 2.78Å; E121-D169 PolarHBondContact N-OD1 2.8Å; D169-S171 PolarHBondContact O-N 3.13Å
170C81.6Confident65.2Low4 Ų4103.8 Ų103.83%0.02753%0.525CS..PPolyproline II helixtrans-76.9119.9-179.1-166.20000111.6E121 G122 N153 C154 Q172 Q173E121-C170 WeakPolarHBondContact O-CB 3.24Å; E121-C170 PolarHBondContact O-N 2.67Å; G122-C170 VanDerWaalsContact O-CB 3.28Å; G122-C170 WeakPolarHBondContact O-CB 3.45Å; N153-C170 VanDerWaalsContact CB-SG 3.52Å; C154-C170 VanDerWaalsContact SG-SG 3.65Å; C170-Q172 PolarHBondContact O-N 3.02Å; C170-Q173 WeakPolarHBondContact O-CB 3.47Å; C170-Q173 PolarHBondContact O-N 3.32Å
171S68.6Low62.7Low66 Ų66107.6 Ų107.646%0.46255%0.55SS.*THydrogen-bonded Turntrans-62.9-3.4-17771.50000116.3C154 D169C154-S171 WeakPolarHBondContact CB-OG 3.03Å; D169-S171 PolarHBondContact O-N 3.13Å
172Q62.3Low60.2Low110 Ų110105.7 Ų105.751%0.51455%0.552SS.*THydrogen-bonded Turntrans-83.5-16.4171.3-83.1-151.833.800112.9N153 C170 E174 G175N153-Q172 VanDerWaalsContact CA-NE2 3.35Å; N153-Q172 HydrophobicContact CB-CB 4.19Å; N153-Q172 HydrophobicContact CB-CG 4.06Å; N153-Q172 PolarHBondContact O-NE2 3.35Å; C170-Q172 PolarHBondContact O-N 3.02Å; Q172-E174 VanDerWaalsContact C-N 3.26Å; Q172-E174 PolarHBondContact O-N 3.15Å; Q172-G175 PolarHBondContact O-N 3.2Å
173Q52.8Low58.2Low88 Ų88111 Ų11141%0.41159%0.586SS.*G310 helixtrans-70.3-23.1-179.2-162.9165.9-8.100112.7C170 G175 L176C170-Q173 WeakPolarHBondContact O-CB 3.47Å; C170-Q173 PolarHBondContact O-N 3.32Å; Q173-G175 PolarHBondContact O-N 3.37Å; Q173-G175 VanDerWaalsContact O-N 3.15Å; Q173-L176 PolarHBondContact O-N 3.06Å
174E48.6Very low55.8Low164 Ų164111.8 Ų111.877%0.76660%0.596SS**G310 helixtrans-64.2-14.9172.9-64.9-163.4151.300113.6Q172Q172-E174 VanDerWaalsContact C-N 3.26Å; Q172-E174 PolarHBondContact O-N 3.15Å
175G45.5Very low53.7Low66 Ų66112.1 Ų112.168%0.6860%0.599SS**G310 helixtrans-87.7-14.117900000115.6Q172 Q173Q172-G175 PolarHBondContact O-N 3.2Å; Q173-G175 PolarHBondContact O-N 3.37Å; Q173-G175 VanDerWaalsContact O-N 3.15Å
176L48.3Very low51.6Low168 Ų168111.7 Ų111.788%0.8860%0.601SS**THydrogen-bonded Turntrans-123.6-11.1-170.9-72173.5000115Q173Q173-L176 PolarHBondContact O-N 3.06Å
177S43.8Very low49.4Very low76 Ų76117 Ų11753%0.53163%0.629SS.*SBendtrans-134.6118.6179.4630000113.1
178R36.7Very low46.9Very low240 Ų240116.4 Ų116.491%0.90664%0.636SS**  trans86.992172.5-82.2-175.3165.1178.9-3.1118.3R180R178-R180 VanDerWaalsContact C-N 3.34Å; R178-R180 PolarHBondContact O-N 3.22Å
179D36Very low45Very low174 Ų174117.6 Ų117.693%0.9364%0.644SS**  -3.783.5115.7-139.80.4000114.6
180R31Very low42.5Very low220 Ų220120.6 Ų120.683%0.8366%0.664SS**  trans-146.2126.6162.2-148.5-178.2-170.3-120.51.1106R178 S182R178-R180 VanDerWaalsContact C-N 3.34Å; R178-R180 PolarHBondContact O-N 3.22Å; R180-S182 PolarHBondContact O-N 2.99Å
181P32.3Very low40.2Very low130 Ų130128 Ų12884%0.84470%0.696SS**  trans-70.396.9179.526.8-30.8000108.7
182S32.8Very low38.4Very low95 Ų95128 Ų12866%0.66470%0.696SS**  trans-76.8136.4159.2-1740000107.5R180 E184R180-S182 PolarHBondContact O-N 2.99Å; S182-E184 PolarHBondContact O-N 2.9Å
183P41.7Very low37.1Very low123 Ų123131.4 Ų131.480%0.79971%0.712SS**SBendtrans-70.2106.4177.829.2-29.8000108.9
184E31.3Very low36Very low166 Ų166132.5 Ų132.578%0.77672%0.721SS**  trans34.887.8157.2-75.1-179.4107.700117.7S182 T186S182-E184 PolarHBondContact O-N 2.9Å; E184-T186 PolarHBondContact O-N 2.84Å; E184-T186 VanDerWaalsContact O-N 3.08Å
185S35.4Very low35.4Very low115 Ų115131.2 Ų131.280%0.80472%0.724SS**  trans-75.562.2150.541.20000110.9L187S185-L187 PolarHBondContact O-N 2.84Å
186T36.8Very low34.8Very low103 Ų103131.4 Ų131.463%0.63271%0.714SS**  trans-77.469.5169.9-50.50000109.8E184E184-T186 PolarHBondContact O-N 2.84Å; E184-T186 VanDerWaalsContact O-N 3.08Å
187L33.8Very low33.8Very low123 Ų123132.1 Ų132.164%0.64471%0.71SS**  trans-150.887.9156.7-71.3-176.8000108.9S185 V189S185-L187 PolarHBondContact O-N 2.84Å; L187-V189 HydrophobicContact CB-CG2 4.02Å; L187-V189 PolarHBondContact O-N 3.29Å
188T28.3Very low33.4Very low136 Ų136133.6 Ų133.683%0.83472%0.718SS**  trans-57.484.2149.842.70000108T190T188-T190 PolarHBondContact O-N 3.35Å
189V36.3Very low33.4Very low53 Ų53128.2 Ų128.232%0.32171%0.711SS.*  trans-75.988.9167.5-179.40000105.7L187 F191L187-V189 HydrophobicContact CB-CG2 4.02Å; L187-V189 PolarHBondContact O-N 3.29Å; V189-F191 HydrophobicContact CG1-CD2 4.2Å; V189-F191 HydrophobicContact CG1-CE2 4.5Å; V189-F191 PolarHBondContact O-N 2.77Å
190T28.8Very low33.7Very low113 Ų113127 Ų12769%0.69370%0.7SS**  trans-55.4104.8164.6-36.80000106.7T188 S192T188-T190 PolarHBondContact O-N 3.35Å; T190-S192 PolarHBondContact O-N 3.26Å
191F34.6Very low34.1Very low158 Ų158123.1 Ų123.169%0.69369%0.692SS**  trans-7473.4171-114.8-91.3000107.2V189 Q193V189-F191 HydrophobicContact CG1-CD2 4.2Å; V189-F191 HydrophobicContact CG1-CE2 4.5Å; V189-F191 PolarHBondContact O-N 2.77Å; F191-Q193 PolarHBondContact O-N 2.9Å
192S30.4Very low34.3Very low67 Ų67122.7 Ų122.747%0.46969%0.687SS.*  trans-73.5107.1166.9-49.30000106.5T190 N194T190-S192 PolarHBondContact O-N 3.26Å; S192-N194 WeakPolarHBondContact CB-ND2 3.44Å; S192-N194 PolarHBondContact O-N 2.83Å
193Q33.4Very low35.4Very low182 Ų182124.1 Ų124.185%0.8568%0.683SS**  trans-65.258.9155.4-76.6-179.4-20.700108.7F191 V195F191-Q193 PolarHBondContact O-N 2.9Å; Q193-V195 VanDerWaalsContact C-N 3.26Å; Q193-V195 PolarHBondContact O-N 2.91Å; Q193-V195 VanDerWaalsContact O-N 3.08Å
194N31.1Very low36.8Very low111 Ų111127.1 Ų127.159%0.59468%0.678SS**  trans-78.295.1161.9-71.1-27.7000104S192 C196S192-N194 WeakPolarHBondContact CB-ND2 3.44Å; S192-N194 PolarHBondContact O-N 2.83Å; N194-C196 PolarHBondContact O-N 3.27Å
195V36.1Very low38.7Very low136 Ų136124.8 Ų124.882%0.82468%0.677SS**  trans-57.779.8151.7-178.70000105.1Q193 K197Q193-V195 VanDerWaalsContact C-N 3.26Å; Q193-V195 PolarHBondContact O-N 2.91Å; Q193-V195 VanDerWaalsContact O-N 3.08Å; V195-K197 PolarHBondContact O-N 2.92Å
196C32.2Very low40.8Very low71 Ų71121.4 Ų121.448%0.4865%0.652SS.*  trans-59.9114.2164.8-77.10000103.8N194N194-C196 PolarHBondContact O-N 3.27Å
197K28.2Very low43.2Very low182 Ų182119.9 Ų119.979%0.79164%0.643SS**  trans-35.2130.5166-68179.7176.8-178.50107.6V195 V199V195-K197 PolarHBondContact O-N 2.92Å; K197-V199 VanDerWaalsContact C-N 3.33Å; K197-V199 PolarHBondContact O-N 2.7Å
198P33.7Very low45.8Very low107 Ų107119.1 Ų119.170%0.69564%0.639SS**  trans-55.8110.3171.824.3-29000104.9E200P198-E200 PolarHBondContact O-N 3.35Å
199V36.9Very low48.8Very low127 Ų127120.3 Ų120.377%0.7764%0.635SS**  trans-67.883.3146.1172.40000101.7K197 E201K197-V199 VanDerWaalsContact C-N 3.33Å; K197-V199 PolarHBondContact O-N 2.7Å; V199-E201 PolarHBondContact O-N 2.96Å
200E43.7Very low51.3Low149 Ų149120.4 Ų120.470%0.69663%0.632SS**  trans-60.184.3158.2-142.9-178.9159.400102.7P198 T202P198-E200 PolarHBondContact O-N 3.35Å; E200-T202 PolarHBondContact O-N 3.17Å
201E39.3Very low54.3Low139 Ų139116 Ų11665%0.6560%0.604SS**  trans-6191.4150.4-109.4-173.8139.900103.3V199 Q203V199-E201 PolarHBondContact O-N 2.96Å; E201-Q203 HydrophobicContact CB-CG 4.04Å; E201-Q203 HydrophobicContact CG-CG 4.25Å; E201-Q203 PolarHBondContact O-N 3.2Å; E201-Q203 PolarHBondContact OE1-NE2 3.23Å; E201-Q203 PolarHBondContact OE2-NE2 3.32Å
202T36.2Very low57Low121 Ų121114 Ų11474%0.74260%0.595SS**  trans-64.558.9164.2-440000107.1E200 R204E200-T202 PolarHBondContact O-N 3.17Å; T202-R204 PolarHBondContact O-N 2.97Å
203Q55.5Low60Low124 Ų124117 Ų11758%0.57960%0.602SS**  trans-73.6116.1170.3-77.5-174.114.200105.2E201E201-Q203 HydrophobicContact CB-CG 4.04Å; E201-Q203 HydrophobicContact CG-CG 4.25Å; E201-Q203 PolarHBondContact O-N 3.2Å; E201-Q203 PolarHBondContact OE1-NE2 3.23Å; E201-Q203 PolarHBondContact OE2-NE2 3.32Å
204R70.4Confident62.8Low187 Ų187112 Ų11271%0.70658%0.577SS**  trans-41.5140.7165.859-172.8-173.1174.95.8109.7T202 P206 E210T202-R204 PolarHBondContact O-N 2.97Å; R204-P206 VanDerWaalsContact O-N 3.15Å; R204-E210 IonicContact NH2-OE1 2.7Å
205P72.6Confident65.7Low117 Ų117107 Ų10776%0.7655%0.551SS**PPolyproline II helixtrans-50.6125.8176.2-2432.1000109.2T207P205-T207 PolarHBondContact O-N 3.3Å
206P78.3Confident68.4Low43 Ų43104.5 Ų104.528%0.27953%0.533SS..PPolyproline II helixtrans-61.7140.7-176.823.8-32.4000109.9R204 E210 I211R204-P206 VanDerWaalsContact O-N 3.15Å; P206-E210 VanDerWaalsContact CA-OE2 3.24Å; P206-E210 WeakPolarHBondContact CA-OE2 3.43Å; P206-E210 HydrophobicContact CB-CB 4.4Å; P206-E210 WeakPolarHBondContact CB-OE2 3.24Å; P206-I211 HydrophobicContact CB-CG1 4.15Å; P206-I211 HydrophobicContact CG-CD1 4.31Å; P206-I211 HydrophobicContact CG-CG1 4.14Å
207T88.1Confident71.3Confident72 Ų72104.2 Ų104.244%0.44253%0.532SS..PPolyproline II helixtrans-69.8157.817961.10000110.8P205 Q209 E210 I211P205-T207 PolarHBondContact O-N 3.3Å; T207-Q209 PolarHBondContact O-N 3.11Å; T207-E210 PolarHBondContact N-OE2 3.36Å; T207-E210 VanDerWaalsContact N-OE2 3.15Å; T207-E210 WeakPolarHBondContact O-CB 3.43Å; T207-E210 PolarHBondContact O-N 3.25Å; T207-E210 VanDerWaalsContact OG1-CG 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.3Å; T207-E210 PolarHBondContact OG1-N 2.79Å; T207-I211 WeakPolarHBondContact O-CG1 3.44Å; T207-I211 PolarHBondContact O-N 2.9Å
208L87.9Confident74.3Confident107 Ų10798 Ų9856%0.5650%0.504SS*.Hα-helixtrans-56.6-35.1177.4-72.9178.8000112.6I211 K212L208-I211 HydrophobicContact CD2-CD1 4.5Å; L208-I211 PolarHBondContact O-N 3.22Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 2.98Å
209Q90.3Very high77.2Confident160 Ų16095.4 Ų95.475%0.74848%0.484SS*.Hα-helixtrans-68-41.5176.6-169.1176.53.100112T207 I211 K212 Q213T207-Q209 PolarHBondContact O-N 3.11Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; Q209-K212 PolarHBondContact O-N 3.11Å; Q209-Q213 WeakPolarHBondContact O-CB 3.42Å; Q209-Q213 PolarHBondContact O-N 3.3Å
210E90.2Very high79.9Confident56 Ų5695.2 Ų95.226%0.26248%0.483SS..Hα-helixtrans-63-40173.6-73.4169.8-173.800111.6R204 P206 T207 Q213 K214R204-E210 IonicContact NH2-OE1 2.7Å; P206-E210 VanDerWaalsContact CA-OE2 3.24Å; P206-E210 WeakPolarHBondContact CA-OE2 3.43Å; P206-E210 HydrophobicContact CB-CB 4.4Å; P206-E210 WeakPolarHBondContact CB-OE2 3.24Å; T207-E210 PolarHBondContact N-OE2 3.36Å; T207-E210 VanDerWaalsContact N-OE2 3.15Å; T207-E210 WeakPolarHBondContact O-CB 3.43Å; T207-E210 PolarHBondContact O-N 3.25Å; T207-E210 VanDerWaalsContact OG1-CG 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.3Å; T207-E210 PolarHBondContact OG1-N 2.79Å; E210-Q213 PolarHBondContact O-N 2.99Å; E210-K214 WeakPolarHBondContact O-CB 3.2Å; E210-K214 VanDerWaalsContact O-CG 3.31Å; E210-K214 WeakPolarHBondContact O-CG 3.36Å; E210-K214 PolarHBondContact O-N 2.86Å
211I90.7Very high82Confident20 Ų2095.4 Ų95.410%0.10348%0.477CS..Hα-helixtrans-63-47.3175.5-66.5170.1000110.1P206 T207 L208 Q209 Q213 K214 I215 L230 Y236P206-I211 HydrophobicContact CB-CG1 4.15Å; P206-I211 HydrophobicContact CG-CD1 4.31Å; P206-I211 HydrophobicContact CG-CG1 4.14Å; T207-I211 WeakPolarHBondContact O-CG1 3.44Å; T207-I211 PolarHBondContact O-N 2.9Å; L208-I211 HydrophobicContact CD2-CD1 4.5Å; L208-I211 PolarHBondContact O-N 3.22Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.71Å; I211-K214 PolarHBondContact O-N 3.41Å; I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 3.23Å; I211-L230 HydrophobicContact CG2-CD1 4.14Å; I211-Y236 HydrophobicContact CD1-CE1 4.38Å; I211-Y236 HydrophobicContact CG2-CD1 3.71Å; I211-Y236 HydrophobicContact CG2-CE1 4.07Å; I211-Y236 HydrophobicContact CG2-CG 4.39Å
212K91.1Very high84.3Confident116 Ų11691.3 Ų91.350%0.50446%0.458SS..Hα-helixtrans-57.3-49177.1-173.1177.5178.7-179.90111.3L208 Q209 K214 I215 D216 L230L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 2.98Å; Q209-K212 PolarHBondContact O-N 3.11Å; K212-K214 VanDerWaalsContact C-N 3.33Å; K212-K214 PolarHBondContact O-N 3.04Å; K212-I215 PolarHBondContact O-N 2.88Å; K212-I215 VanDerWaalsContact O-N 3.17Å; K212-D216 VanDerWaalsContact O-CG 3.32Å; K212-D216 PolarHBondContact O-N 3.17Å; K212-L230 HydrophobicContact CB-CD2 4.02Å; K212-L230 HydrophobicContact CD-CD2 4.5Å; K212-L230 HydrophobicContact CG-CD2 4.17Å
213Q93.4Very high86.3Confident130 Ų13094.5 Ų94.561%0.60746%0.462SS*.Hα-helixtrans-61.9-39.7178.5-170.6-179.28.900112.5Q209 E210 I211 S217Q209-Q213 WeakPolarHBondContact O-CB 3.42Å; Q209-Q213 PolarHBondContact O-N 3.3Å; E210-Q213 PolarHBondContact O-N 2.99Å; I211-Q213 PolarHBondContact O-N 2.71Å; Q213-S217 VanDerWaalsContact O-CB 3.3Å; Q213-S217 WeakPolarHBondContact O-CB 3.4Å; Q213-S217 PolarHBondContact O-N 3.38Å; Q213-S217 PolarHBondContact O-OG 3.37Å
214K92.1Very high87.3Confident77 Ų7793.9 Ų93.934%0.33546%0.463SS..Hα-helixtrans-64.5-40.7175-78.6175.2-178.6174.30112E210 I211 K212 Y218 P344E210-K214 WeakPolarHBondContact O-CB 3.2Å; E210-K214 VanDerWaalsContact O-CG 3.31Å; E210-K214 WeakPolarHBondContact O-CG 3.36Å; E210-K214 PolarHBondContact O-N 2.86Å; I211-K214 PolarHBondContact O-N 3.41Å; K212-K214 VanDerWaalsContact C-N 3.33Å; K212-K214 PolarHBondContact O-N 3.04Å; K214-Y218 WeakPolarHBondContact O-CB 3.37Å; K214-Y218 PolarHBondContact O-N 3.27Å; K214-P344 HydrophobicContact CB-CG 4Å
215I93.2Very high87.6Confident7 Ų791 Ų914%0.03647%0.469CS..Hα-helixtrans-64.2-48.2176.2-73.3170.4000110.4I211 K212 S217 Y218 N219 M228 L230 Y236I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 HydrophobicContact CG2-CG1 4.41Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 3.23Å; K212-I215 PolarHBondContact O-N 2.88Å; K212-I215 VanDerWaalsContact O-N 3.17Å; I215-S217 PolarHBondContact O-N 2.82Å; I215-Y218 PolarHBondContact O-N 3.36Å; I215-N219 WeakPolarHBondContact CG2-ND2 3.34Å; I215-N219 WeakPolarHBondContact O-CB 3.4Å; I215-N219 VanDerWaalsContact O-CG 3.23Å; I215-N219 PolarHBondContact O-N 2.89Å; I215-M228 HydrophobicContact CG1-CB 4.11Å; I215-M228 HydrophobicContact CG1-CE 4.4Å; I215-M228 HydrophobicContact CG1-SD 4.47Å; I215-M228 HydrophobicContact CG2-CB 3.96Å; I215-L230 HydrophobicContact CD1-CB 3.99Å; I215-L230 HydrophobicContact CD1-CD1 4.09Å; I215-Y236 HydrophobicContact CD1-CG 4.16Å
216D92.8Very high88.3Confident82 Ų8286.8 Ų86.844%0.43944%0.44SS..Hα-helixtrans-60.5-47.5178.9-67.1-24.2000110.5K212 Y218 N219 T220K212-D216 VanDerWaalsContact O-CG 3.32Å; K212-D216 PolarHBondContact O-N 3.17Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.49Å; D216-N219 PolarHBondContact O-N 3.42Å; D216-N219 VanDerWaalsContact O-N 3.16Å; D216-T220 PolarHBondContact O-N 3.33Å; D216-T220 PolarHBondContact O-OG1 3.47Å
217S92.9Very high88.8Confident66 Ų6685.8 Ų85.846%0.46244%0.438SS..Hα-helixtrans-60.4-37.4177-58.40000113Q213 I215 R221Q213-S217 VanDerWaalsContact O-CB 3.3Å; Q213-S217 WeakPolarHBondContact O-CB 3.4Å; Q213-S217 PolarHBondContact O-N 3.38Å; Q213-S217 PolarHBondContact O-OG 3.37Å; I215-S217 PolarHBondContact O-N 2.82Å; S217-R221 WeakPolarHBondContact O-CD 3.39Å; S217-R221 WeakPolarHBondContact O-CG 3.4Å
218Y92.1Very high89Confident52 Ų5283.2 Ų83.220%0.20442%0.421CS..Hα-helixtrans-68-48.3174.2172.2-91.9000110.8K214 I215 D216 T220 R221 E222 L226 M228 P344K214-Y218 WeakPolarHBondContact O-CB 3.37Å; K214-Y218 PolarHBondContact O-N 3.27Å; I215-Y218 PolarHBondContact O-N 3.36Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.49Å; Y218-T220 PolarHBondContact O-N 3.4Å; Y218-R221 PolarHBondContact O-N 2.74Å; Y218-E222 HydrophobicContact CD1-CB 4.41Å; Y218-E222 HydrophobicContact CE1-CB 4.01Å; Y218-E222 HydrophobicContact CE1-CG 4.05Å; Y218-E222 WeakPolarHBondContact O-CB 3.43Å; Y218-E222 PolarHBondContact O-N 3.2Å; Y218-L226 PolarHBondContact OH-O 3.39Å; Y218-M228 HydrophobicContact CD1-CB 4.31Å; Y218-M228 HydrophobicContact CD1-CG 3.73Å; Y218-M228 HydrophobicContact CD1-SD 3.96Å; Y218-M228 HydrophobicContact CE1-CG 3.73Å; Y218-M228 HydrophobicContact CE1-SD 4.27Å; Y218-M228 HydrophobicContact CG-SD 4.22Å; Y218-P344 HydrophobicContact CD2-CB 4.18Å
219N93.2Very high89.2Confident51 Ų5185.2 Ų85.227%0.27343%0.425SS..Hα-helixtrans-64.3-36-177.4-73.5-13.6000113I215 D216 R221 E222 G227 M228I215-N219 WeakPolarHBondContact CG2-ND2 3.34Å; I215-N219 WeakPolarHBondContact O-CB 3.4Å; I215-N219 VanDerWaalsContact O-CG 3.23Å; I215-N219 PolarHBondContact O-N 2.89Å; D216-N219 PolarHBondContact O-N 3.42Å; D216-N219 VanDerWaalsContact O-N 3.16Å; N219-R221 PolarHBondContact O-N 3.41Å; N219-E222 PolarHBondContact O-N 2.98Å; N219-G227 WeakPolarHBondContact OD1-CA 3.3Å; N219-M228 PolarHBondContact ND2-O 3.28Å; N219-M228 PolarHBondContact OD1-N 2.79Å
220T93.1Very high89.4Confident123 Ų12380.8 Ų80.876%0.75541%0.406SS*.Hα-helixtrans-61.3-29.8174.1-53.70000112.1D216 Y218D216-T220 PolarHBondContact O-N 3.33Å; D216-T220 PolarHBondContact O-OG1 3.47Å; Y218-T220 PolarHBondContact O-N 3.4Å
221R89.6Confident89.5Confident153 Ų15380.6 Ų80.658%0.57741%0.411SS*.Hα-helixtrans-90.1-24.6179.7-63.7170.563.7-137.52.8112.5S217 Y218 N219S217-R221 WeakPolarHBondContact O-CD 3.39Å; S217-R221 WeakPolarHBondContact O-CG 3.4Å; Y218-R221 PolarHBondContact O-N 2.74Å; N219-R221 PolarHBondContact O-N 3.41Å
222E86.4Confident89.5Confident53 Ų5389.2 Ų89.225%0.24845%0.451CS..  trans-84.8114.6-174.9-169.156.1-13600111.3Y218 N219 L226Y218-E222 HydrophobicContact CD1-CB 4.41Å; Y218-E222 HydrophobicContact CE1-CB 4.01Å; Y218-E222 HydrophobicContact CE1-CG 4.05Å; Y218-E222 WeakPolarHBondContact O-CB 3.43Å; Y218-E222 PolarHBondContact O-N 3.2Å; N219-E222 PolarHBondContact O-N 2.98Å; E222-L226 HydrophobicContact CG-CB 4.01Å
223K78.8Confident89.3Confident188 Ų18890.7 Ų90.782%0.81747%0.465SS*.  trans-96.9-8.4-173.2-61.4-176.9-179.3-177.70114.5
224N76.4Confident88.9Confident112 Ų11285.2 Ų85.260%0.59944%0.443SS*.SBendtrans-109.529.4-162.6-60.6-55000115.2L226N224-L226 HydrophobicContact CB-CD1 4.25Å; N224-L226 HydrophobicContact CB-CG 4.15Å; N224-L226 WeakPolarHBondContact O-CG 3.28Å; N224-L226 PolarHBondContact O-N 2.91Å
225C77.4Confident88.8Confident125 Ų12583.5 Ų83.585%0.84544%0.439SS*.SBendtrans57.613.1-172.8-54.70000114.4G227C225-G227 PolarHBondContact O-N 3.47Å
226L86.3Confident88.8Confident29 Ų2984.5 Ų84.515%0.15244%0.443CS..  trans-92.328177.9-56.6178.8000112.2Y218 E222 N224 F239Y218-L226 PolarHBondContact OH-O 3.39Å; E222-L226 HydrophobicContact CG-CB 4.01Å; N224-L226 HydrophobicContact CB-CD1 4.25Å; N224-L226 HydrophobicContact CB-CG 4.15Å; N224-L226 WeakPolarHBondContact O-CG 3.28Å; N224-L226 PolarHBondContact O-N 2.91Å; L226-F239 HydrophobicContact CB-CB 4.46Å; L226-F239 HydrophobicContact CB-CD2 4.08Å; L226-F239 HydrophobicContact CB-CG 4.48Å; L226-F239 HydrophobicContact CD2-CB 4.28Å; L226-F239 HydrophobicContact CD2-CD1 4.21Å; L226-F239 HydrophobicContact CD2-CD2 3.95Å; L226-F239 HydrophobicContact CD2-CE2 4.31Å; L226-F239 HydrophobicContact CD2-CG 3.89Å
227G88.1Confident88.9Confident23 Ų2381.9 Ų81.924%0.23743%0.43CS..  trans-64.5152.8-179.500000111.9N219 C225N219-G227 WeakPolarHBondContact OD1-CA 3.3Å; C225-G227 PolarHBondContact O-N 3.47Å
228M93.8Very high88.8Confident17 Ų1779.1 Ų79.18%0.08441%0.412CS..  trans-84.4148.9170.4-64.6179.676.800110.1I215 Y218 N219 Y236 T237I215-M228 HydrophobicContact CG1-CB 4.11Å; I215-M228 HydrophobicContact CG1-CE 4.4Å; I215-M228 HydrophobicContact CG1-SD 4.47Å; I215-M228 HydrophobicContact CG2-CB 3.96Å; Y218-M228 HydrophobicContact CD1-CB 4.31Å; Y218-M228 HydrophobicContact CD1-CG 3.73Å; Y218-M228 HydrophobicContact CD1-SD 3.96Å; Y218-M228 HydrophobicContact CE1-CG 3.73Å; Y218-M228 HydrophobicContact CE1-SD 4.27Å; Y218-M228 HydrophobicContact CG-SD 4.22Å; N219-M228 PolarHBondContact ND2-O 3.28Å; N219-M228 PolarHBondContact OD1-N 2.79Å; M228-Y236 HydrophobicContact CE-CD2 3.42Å; M228-Y236 VanDerWaalsContact CE-CD2 3.42Å; M228-Y236 HydrophobicContact CE-CE2 3.71Å; M228-Y236 HydrophobicContact CE-CG 4.45Å; M228-T237 CarbonylContact C-O 3.55Å; M228-T237 WeakPolarHBondContact CA-O 3.33Å; M228-T237 WeakPolarHBondContact CB-O 3.13Å
229K91.9Very high88.8Confident149 Ų14980.1 Ų80.165%0.64842%0.417SS*.EExtended strand (participates in β ladder)trans-124132176.1-64.5-176.7179.1-177.30109.7Y236 T237K229-Y236 CarbonylContact O-C 3.52Å; K229-Y236 WeakPolarHBondContact O-CA 3.24Å; K229-Y236 WeakPolarHBondContact O-CB 3.26Å; K229-T237 PolarHBondContact N-O 3.23Å; K229-T237 PolarHBondContact O-N 2.96Å
230L93.8Very high88.7Confident67 Ų6779.2 Ų79.235%0.35141%0.412SS..EExtended strand (participates in β ladder)trans-89.7131.2170.3-172.966.9000108.8I211 K212 I215I211-L230 HydrophobicContact CG2-CD1 4.14Å; K212-L230 HydrophobicContact CB-CD2 4.02Å; K212-L230 HydrophobicContact CD-CD2 4.5Å; K212-L230 HydrophobicContact CG-CD2 4.17Å; I215-L230 HydrophobicContact CD1-CB 3.99Å; I215-L230 HydrophobicContact CD1-CD1 4.09Å
231S92.9Very high88.6Confident52 Ų5280 Ų8036%0.36441%0.405SS..  trans-92.3162.6172.2-72.60000111D233 G234 T235S231-D233 VanDerWaalsContact C-N 3.27Å; S231-D233 PolarHBondContact O-N 3.33Å; S231-G234 PolarHBondContact O-N 2.85Å; S231-G234 VanDerWaalsContact O-N 3.13Å; S231-T235 WeakPolarHBondContact CB-O 3.49Å; S231-T235 PolarHBondContact N-O 3.03Å
232E89.2Confident88.6Confident202 Ų20273.3 Ų73.394%0.94438%0.381SS*.THydrogen-bonded Turntrans-60.6-35.6179.8-63.3176-170.100112.5G234E232-G234 PolarHBondContact O-N 2.94Å
233D87.8Confident88.7Confident146 Ų14675.7 Ų75.778%0.78139%0.392SS*.THydrogen-bonded Turntrans-71.65.4178.3-50.6-41.8000113.8S231 T235S231-D233 VanDerWaalsContact C-N 3.27Å; S231-D233 PolarHBondContact O-N 3.33Å; D233-T235 PolarHBondContact O-N 3.46Å
234G85.1Confident89Confident16 Ų1667.7 Ų67.717%0.16536%0.358CS..SBendtrans76.6-2.3-176.200000114.6S231 E232S231-G234 PolarHBondContact O-N 2.85Å; S231-G234 VanDerWaalsContact O-N 3.13Å; E232-G234 PolarHBondContact O-N 2.94Å
235T90.4Very high89.2Confident41 Ų4167.1 Ų67.125%0.25235%0.35SS..  trans-73.6155.6168.962.80000110.4S231 D233 S294 T295S231-T235 WeakPolarHBondContact CB-O 3.49Å; S231-T235 PolarHBondContact N-O 3.03Å; D233-T235 PolarHBondContact O-N 3.46Å; T235-S294 WeakPolarHBondContact CA-OG 3.49Å; T235-S294 WeakPolarHBondContact CB-OG 3.37Å; T235-T295 HydrophobicContact CG2-CG2 4.23Å
236Y93Very high89.3Confident28 Ų2863.1 Ų63.111%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-133.3155.5176.755.7-90.9000110.7I211 I215 M228 K229 S293 S294 F342 L343I211-Y236 HydrophobicContact CD1-CE1 4.38Å; I211-Y236 HydrophobicContact CG2-CD1 3.71Å; I211-Y236 HydrophobicContact CG2-CE1 4.07Å; I211-Y236 HydrophobicContact CG2-CG 4.39Å; I215-Y236 HydrophobicContact CD1-CG 4.16Å; M228-Y236 HydrophobicContact CE-CD2 3.42Å; M228-Y236 VanDerWaalsContact CE-CD2 3.42Å; M228-Y236 HydrophobicContact CE-CE2 3.71Å; M228-Y236 HydrophobicContact CE-CG 4.45Å; K229-Y236 CarbonylContact O-C 3.52Å; K229-Y236 WeakPolarHBondContact O-CA 3.24Å; K229-Y236 WeakPolarHBondContact O-CB 3.26Å; Y236-S293 CarbonylContact O-C 3.14Å; Y236-S293 VanDerWaalsContact O-CA 3.3Å; Y236-S293 WeakPolarHBondContact O-CA 3.21Å; Y236-S294 VanDerWaalsContact CZ-CB 3.46Å; Y236-S294 PolarHBondContact N-OG 2.94Å; Y236-S294 PolarHBondContact O-N 3.14Å; Y236-F342 HydrophobicContact CE2-CD2 4.3Å; Y236-L343 WeakPolarHBondContact OH-CD2 3.35Å
237T93.8Very high88.6Confident26 Ų2670 Ų7016%0.1634%0.344CS..EExtended strand (participates in β ladder)trans-125.5156.5178.268.20000110.8M228 K229 H291 I292M228-T237 CarbonylContact C-O 3.55Å; M228-T237 WeakPolarHBondContact CA-O 3.33Å; M228-T237 WeakPolarHBondContact CB-O 3.13Å; K229-T237 PolarHBondContact N-O 3.23Å; K229-T237 PolarHBondContact O-N 2.96Å; T237-H291 WeakPolarHBondContact CB-NE2 3.3Å; T237-H291 PolarHBondContact OG1-NE2 3.49Å; T237-I292 CarbonylContact C-O 3.45Å; T237-I292 WeakPolarHBondContact CA-O 3.08Å; T237-I292 WeakPolarHBondContact CB-O 3.33Å
238G92.4Very high88Confident8 Ų875 Ų758%0.08236%0.356CS..EExtended strand (participates in β ladder)trans-170.4-175.4-179.400000112.1H291 I292G238-H291 WeakPolarHBondContact O-CA 3.29Å; G238-H291 PolarHBondContact O-CD2 3.07Å; G238-I292 PolarHBondContact N-O 3.44Å; G238-I292 PolarHBondContact O-N 3.26Å
239F91.3Very high87.2Confident73 Ų7375.9 Ų75.932%0.3236%0.363SS..EExtended strand (participates in β ladder)trans-111.3138.7-179-63.9-91.4000111.7L226 Q289 L290 H291L226-F239 HydrophobicContact CB-CB 4.46Å; L226-F239 HydrophobicContact CB-CD2 4.08Å; L226-F239 HydrophobicContact CB-CG 4.48Å; L226-F239 HydrophobicContact CD2-CB 4.28Å; L226-F239 HydrophobicContact CD2-CD1 4.21Å; L226-F239 HydrophobicContact CD2-CD2 3.95Å; L226-F239 HydrophobicContact CD2-CE2 4.31Å; L226-F239 HydrophobicContact CD2-CG 3.89Å; F239-Q289 HydrophobicContact CB-CG 4.41Å; F239-Q289 HydrophobicContact CD1-CG 4.15Å; F239-L290 CarbonylContact C-O 3.58Å; F239-L290 VanDerWaalsContact CA-O 3.24Å; F239-L290 WeakPolarHBondContact CA-O 3.49Å; F239-H291 HydrophobicContact CD1-CB 3.94Å; F239-H291 HydrophobicContact CE1-CB 3.7Å; F239-H291 AromaticContact CE1-CD2 3.99Å; F239-H291 AromaticContact CE2-CD2 3.96Å; F239-H291 HydrophobicContact CZ-CB 4.34Å; F239-H291 AromaticContact CZ-CD2 3.83Å
240I91.1Very high86.8Confident33 Ų3368.9 Ų68.917%0.16933%0.333CS..EExtended strand (participates in β ladder)trans-121.4156.7167.168.6175000110.5V242 Q289 L290 I292 F342I240-V242 HydrophobicContact CD1-CG2 3.69Å; I240-V242 HydrophobicContact CG1-CG2 4.05Å; I240-Q289 CarbonylContact O-C 3.5Å; I240-Q289 VanDerWaalsContact O-CA 3.3Å; I240-Q289 WeakPolarHBondContact O-CA 3.22Å; I240-L290 HydrophobicContact CG1-CB 4.07Å; I240-L290 PolarHBondContact N-O 3.43Å; I240-L290 PolarHBondContact O-N 2.73Å; I240-I292 HydrophobicContact CB-CD1 4.1Å; I240-I292 HydrophobicContact CD1-CD1 3.32Å; I240-I292 HydrophobicContact CG1-CD1 3.53Å; I240-I292 HydrophobicContact CG2-CD1 3.55Å; I240-F342 HydrophobicContact CG2-CB 4.04Å; I240-F342 HydrophobicContact CG2-CD1 4.01Å; I240-F342 HydrophobicContact CG2-CG 4.42Å
241K90.5Very high86.2Confident139 Ų13966.6 Ų66.660%0.60432%0.322SS*.EExtended strand (participates in β ladder)trans-110.3116.7169.7-67.3-177.6-178.9179.30109I287K241-I287 HydrophobicContact CB-CG2 4.23Å
242V90.6Very high85.8Confident13 Ų1364.8 Ų64.88%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-101.4124.5175.8-175.40000108.8I240 L244 I287 K288 L290 V301 L305 L320I240-V242 HydrophobicContact CD1-CG2 3.69Å; I240-V242 HydrophobicContact CG1-CG2 4.05Å; V242-L244 HydrophobicContact CG1-CD1 4.31Å; V242-I287 WeakPolarHBondContact O-CA 3.32Å; V242-K288 PolarHBondContact N-O 3.02Å; V242-K288 PolarHBondContact O-N 2.97Å; V242-L290 HydrophobicContact CG2-CD1 3.89Å; V242-V301 HydrophobicContact CG2-CG1 4.38Å; V242-L305 HydrophobicContact CB-CD1 4.18Å; V242-L305 HydrophobicContact CG1-CD1 3.73Å; V242-L305 HydrophobicContact CG2-CD1 4.37Å; V242-L320 HydrophobicContact CG1-CD1 3.77Å; V242-L320 HydrophobicContact CG2-CD1 4.46Å
243H87.3Confident85.4Confident102 Ų10255.6 Ų55.647%0.47227%0.266SS..EExtended strand (participates in β ladder)trans-92.2116.7172.4-71.5-112.2000109.2K245 I287H243-K245 HydrophobicContact CB-CG 4.45Å; H243-K245 PolarHBondContact O-N 2.85Å; H243-I287 WeakPolarHBondContact CE1-CD1 3.44Å
244L86.5Confident85Confident20 Ų2049.5 Ų49.511%0.10524%0.236CC..EExtended strand (participates in β ladder)trans-85.698176.1-71.379.5000108.6V242 L282 A286 K288 L305 F309V242-L244 HydrophobicContact CG1-CD1 4.31Å; L244-L282 HydrophobicContact CB-CD2 4Å; L244-L282 HydrophobicContact CD2-CD2 3.64Å; L244-L282 HydrophobicContact CG-CD2 4.49Å; L244-A286 HydrophobicContact CB-CB 4.33Å; L244-A286 WeakPolarHBondContact CB-O 3.43Å; L244-A286 WeakPolarHBondContact CD1-O 3.4Å; L244-A286 PolarHBondContact N-O 2.91Å; L244-K288 HydrophobicContact CD1-CB 4.12Å; L244-L305 HydrophobicContact CD1-CD2 4.32Å; L244-F309 HydrophobicContact CD1-CE2 4.32Å; L244-F309 HydrophobicContact CD2-CD2 3.62Å; L244-F309 HydrophobicContact CD2-CE2 3.4Å; L244-F309 VanDerWaalsContact CD2-CE2 3.4Å; L244-F309 HydrophobicContact CD2-CZ 4.15Å
245K80.9Confident84.5Confident100 Ų10051.1 Ų51.144%0.43525%0.253SS..  trans-111.375.4177.1-65-168.7176.1-91.30110.1H243 D285H243-K245 HydrophobicContact CB-CG 4.45Å; H243-K245 PolarHBondContact O-N 2.85Å; K245-D285 WeakPolarHBondContact CE-OD1 3.39Å; K245-D285 WeakPolarHBondContact CG-OD1 3.43Å; K245-D285 VanDerWaalsContact NZ-CG 3.34Å; K245-D285 IonicContact NZ-OD1 3.59Å; K245-D285 PolarHBondContact NZ-OD1 3.46Å; K245-D285 IonicContact NZ-OD2 3.3Å; K245-D285 PolarHBondContact NZ-OD2 2.76Å
246L79.4Confident83.9Confident41 Ų4150.6 Ų50.622%0.21525%0.248CC..  trans-88122.1179.1-55.2-178.2000109.2V250 L282 F318L246-V250 HydrophobicContact CD1-CG1 3.38Å; L246-L282 HydrophobicContact CD1-CB 4.25Å; L246-L282 HydrophobicContact CD1-CD2 3.79Å; L246-L282 HydrophobicContact CG-CD2 4.46Å; L246-F318 HydrophobicContact CD1-CE1 3.99Å; L246-F318 HydrophobicContact CD2-CD1 3.75Å; L246-F318 HydrophobicContact CD2-CE1 3.72Å
247R69.6Low83.2Confident174 Ų17456.3 Ų56.366%0.65727%0.27SS*.  trans-87.1-14179.2-70.5-176.1172-178.2-5113.4
248R76.8Confident82.4Confident127 Ų12760 Ų6048%0.47929%0.294SS..SBendtrans-114.1151.3-178.2-64.5-175.7-178.4-163.7-6.7109.3C154C154-R248 VanDerWaalsContact O-CZ 3.3Å; C154-R248 PolarHBondContact O-NH2 3.23Å
249P77.7Confident81.7Confident36 Ų3666.5 Ų66.523%0.23432%0.322CS..PPolyproline II helixtrans-52.8142.5167.3-22.131.4000110.7L168 F280 Y281L168-P249 HydrophobicContact CD2-CG 4.33Å; P249-F280 CarbonylContact C-O 3.38Å; P249-F280 WeakPolarHBondContact CA-O 3.3Å; P249-Y281 HydrophobicContact CG-CD2 4.31Å; P249-Y281 HydrophobicContact CG-CE1 4.05Å; P249-Y281 HydrophobicContact CG-CE2 3.79Å
250V82.5Confident81.3Confident3 Ų364.7 Ų64.72%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-100.6145.2171.1-71.10000109.8L246 S279 F280 L282 V311 F318L246-V250 HydrophobicContact CD1-CG1 3.38Å; V250-S279 WeakPolarHBondContact O-CA 3.34Å; V250-F280 HydrophobicContact CG2-CD2 4.12Å; V250-F280 HydrophobicContact CG2-CE2 3.85Å; V250-F280 HydrophobicContact CG2-CZ 4.28Å; V250-F280 VanDerWaalsContact CG2-O 3.32Å; V250-F280 WeakPolarHBondContact CG2-O 2.98Å; V250-F280 PolarHBondContact N-O 2.82Å; V250-F280 PolarHBondContact O-N 2.84Å; V250-L282 HydrophobicContact CG2-CB 4.14Å; V250-V311 HydrophobicContact CB-CG1 3.88Å; V250-V311 HydrophobicContact CB-CG2 3.92Å; V250-V311 HydrophobicContact CG1-CG1 4.04Å; V250-V311 HydrophobicContact CG1-CG2 4.19Å; V250-V311 HydrophobicContact CG2-CG2 3.97Å; V250-F318 HydrophobicContact CG1-CE1 4.48Å; V250-F318 HydrophobicContact CG1-CZ 4.46Å
251T81.6Confident80.9Confident19 Ų1969.7 Ų69.712%0.11735%0.345CS..EExtended strand (participates in β ladder)trans-87.2130.2176.1-48.50000109.3R277 V311 V312 D313T251-R277 HydrophobicContact CG2-CB 3.68Å; T251-R277 HydrophobicContact CG2-CG 3.93Å; T251-V311 WeakPolarHBondContact O-CA 3.43Å; T251-V312 HydrophobicContact CG2-CG2 3.67Å; T251-V312 WeakPolarHBondContact O-CG2 3.37Å; T251-V312 PolarHBondContact O-N 2.75Å; T251-D313 WeakPolarHBondContact CA-OD2 3.36Å; T251-D313 WeakPolarHBondContact CB-OD2 3.26Å; T251-D313 PolarHBondContact N-OD2 3.28Å; T251-D313 PolarHBondContact OG1-OD2 3.38Å; T251-D313 VanDerWaalsContact OG1-OD2 3.12Å
252V83.8Confident80.4Confident14 Ų1471.7 Ų71.79%0.08535%0.35CS..EExtended strand (participates in β ladder)trans-123.9160.9170.2-61.20000110.7R277 T278 F280 M310V252-R277 WeakPolarHBondContact O-CA 3.26Å; V252-T278 WeakPolarHBondContact CG2-O 3.47Å; V252-T278 WeakPolarHBondContact CG2-OG1 3.21Å; V252-T278 PolarHBondContact N-O 3.39Å; V252-T278 PolarHBondContact O-N 2.92Å; V252-F280 HydrophobicContact CB-CD1 4.35Å; V252-F280 HydrophobicContact CB-CE1 3.72Å; V252-F280 HydrophobicContact CB-CZ 4.49Å; V252-F280 HydrophobicContact CG1-CD1 3.98Å; V252-F280 HydrophobicContact CG1-CE1 3.11Å; V252-F280 HydrophobicContact CG1-CZ 3.45Å; V252-F280 VanDerWaalsContact CG1-CZ 3.45Å; V252-F280 HydrophobicContact CG2-CD1 3.52Å; V252-F280 HydrophobicContact CG2-CE1 3.25Å; V252-F280 HydrophobicContact CG2-CZ 4.41Å; V252-M310 WeakPolarHBondContact CG1-O 3.47Å
253P82.1Confident80.1Confident9 Ų971.5 Ų71.56%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-73.1141.1174.26.58.8000110.1I256 A271 T274 K276 M310 V312P253-I256 HydrophobicContact CB-CD1 3.51Å; P253-I256 HydrophobicContact CB-CG1 3.78Å; P253-I256 HydrophobicContact CG-CD1 3.48Å; P253-I256 VanDerWaalsContact CG-CD1 3.48Å; P253-I256 HydrophobicContact CG-CG1 4.32Å; P253-I256 WeakPolarHBondContact O-CD1 3.42Å; P253-I256 WeakPolarHBondContact O-CG1 3Å; P253-A271 VanDerWaalsContact CG-CA 3.47Å; P253-A271 HydrophobicContact CG-CB 3.57Å; P253-T274 HydrophobicContact CB-CG2 3.47Å; P253-T274 VanDerWaalsContact CB-CG2 3.47Å; P253-K276 CarbonylContact C-O 3.43Å; P253-K276 WeakPolarHBondContact CA-O 3.21Å; P253-M310 WeakPolarHBondContact CD-O 3.34Å; P253-V312 HydrophobicContact CG-CG1 3.86Å
254A78.6Confident79.7Confident17 Ų1769.7 Ų69.714%0.1435%0.351CS..SBendtrans-111.9148.8-178.200000111.2I256 T274 K276 T278A254-I256 PolarHBondContact O-N 3.16Å; A254-T274 VanDerWaalsContact O-CG2 3.28Å; A254-T274 WeakPolarHBondContact O-CG2 3.39Å; A254-T274 PolarHBondContact O-OG1 3.4Å; A254-K276 HydrophobicContact CB-CB 3.99Å; A254-K276 PolarHBondContact N-O 3.35Å; A254-T278 HydrophobicContact CB-CG2 3.52Å
255G75.1Confident79.4Confident51 Ų5175 Ų7553%0.52638%0.378SS..SBendtrans70.421.5-177.200000113.6R257G255-R257 PolarHBondContact O-N 3.05Å
256I76.3Confident79.3Confident29 Ų2978.2 Ų78.215%0.14939%0.392CS..PPolyproline II helixtrans-71.1127.4175.4-32.3177.1000108.5F107 P253 A254 L270 T274 M310F107-I256 WeakPolarHBondContact CZ-O 3.45Å; P253-I256 HydrophobicContact CB-CD1 3.51Å; P253-I256 HydrophobicContact CB-CG1 3.78Å; P253-I256 HydrophobicContact CG-CD1 3.48Å; P253-I256 VanDerWaalsContact CG-CD1 3.48Å; P253-I256 HydrophobicContact CG-CG1 4.32Å; P253-I256 WeakPolarHBondContact O-CD1 3.42Å; P253-I256 WeakPolarHBondContact O-CG1 3Å; A254-I256 PolarHBondContact O-N 3.16Å; I256-L270 HydrophobicContact CG2-CB 4.01Å; I256-L270 HydrophobicContact CG2-CD2 3.86Å; I256-L270 HydrophobicContact CG2-CG 4.45Å; I256-T274 HydrophobicContact CG1-CG2 4.1Å; I256-M310 HydrophobicContact CD1-CE 3.32Å
257R79.9Confident79.1Confident149 Ų14984.9 Ų84.956%0.56242%0.422SS*.PPolyproline II helixtrans-63.6151.7168.267.7-179.1-171173.71.6110.2G255 D263G255-R257 PolarHBondContact O-N 3.05Å; R257-D263 IonicContact CZ-OD1 3.88Å; R257-D263 IonicContact CZ-OD2 3.91Å; R257-D263 IonicContact NE-OD2 3.74Å; R257-D263 IonicContact NH2-OD1 2.81Å; R257-D263 PolarHBondContact NH2-OD1 2.89Å; R257-D263 IonicContact NH2-OD2 3.43Å; R257-D263 PolarHBondContact NH2-OD2 3.39Å
258P77.4Confident79.3Confident104 Ų10479.2 Ų79.268%0.67541%0.407SS*.PPolyproline II helixtrans-52.8142.3170-2534000111.6S260P258-S260 PolarHBondContact O-N 2.89Å
259Q77.1Confident79.2Confident143 Ų14377.7 Ų77.767%0.66841%0.408SS*.PPolyproline II helixtrans-58.5118.9-179.7-168.1167.3-122.300109.8D263 L270Q259-D263 HydrophobicContact CG-CB 4.38Å; Q259-L270 HydrophobicContact CB-CD1 3.8Å; Q259-L270 HydrophobicContact CG-CD1 3.73Å
260S82.5Confident79Confident36 Ų3676.8 Ų76.825%0.25240%0.401SS..PPolyproline II helixtrans-91.6163.3179.874.20000111.6P258 Y262 D263 A264P258-S260 PolarHBondContact O-N 2.89Å; S260-Y262 PolarHBondContact O-N 2.74Å; S260-D263 WeakPolarHBondContact CB-OD2 3.4Å; S260-D263 PolarHBondContact N-OD2 3.06Å; S260-D263 WeakPolarHBondContact O-CB 3.29Å; S260-D263 PolarHBondContact O-N 2.92Å; S260-D263 PolarHBondContact OG-N 3.39Å; S260-D263 PolarHBondContact OG-OD2 2.72Å; S260-A264 PolarHBondContact O-N 3.09Å
261I82.1Confident78.4Confident138 Ų13877.7 Ų77.771%0.70841%0.409SS*.Hα-helixtrans-59.2-34.5176.3-56.5170.8000110.8A264 I265I261-A264 PolarHBondContact O-N 2.81Å; I261-I265 HydrophobicContact CG2-CD1 3.99Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.4Å; I261-I265 PolarHBondContact O-N 2.89Å; I261-I265 VanDerWaalsContact O-N 3.13Å
262Y81.6Confident78.2Confident181 Ų18180.6 Ų80.671%0.7144%0.435SS*.Hα-helixtrans-66.7-36.6175.6-68.9-77.8000112.8S260 A264 I265 K266S260-Y262 PolarHBondContact O-N 2.74Å; Y262-A264 VanDerWaalsContact C-N 3.29Å; Y262-A264 PolarHBondContact O-N 2.79Å; Y262-I265 PolarHBondContact O-N 3.34Å; Y262-K266 WeakPolarHBondContact O-CB 3.49Å; Y262-K266 PolarHBondContact O-N 3.36Å
263D82.7Confident77.8Confident9 Ų983.8 Ų83.85%0.04846%0.455CS..Hα-helixtrans-67.1-35.4178.4-56.6-45000110.7R257 Q259 S260 E267 V268R257-D263 IonicContact CZ-OD1 3.88Å; R257-D263 IonicContact CZ-OD2 3.91Å; R257-D263 IonicContact NE-OD2 3.74Å; R257-D263 IonicContact NH2-OD1 2.81Å; R257-D263 PolarHBondContact NH2-OD1 2.89Å; R257-D263 IonicContact NH2-OD2 3.43Å; R257-D263 PolarHBondContact NH2-OD2 3.39Å; Q259-D263 HydrophobicContact CG-CB 4.38Å; S260-D263 WeakPolarHBondContact CB-OD2 3.4Å; S260-D263 PolarHBondContact N-OD2 3.06Å; S260-D263 WeakPolarHBondContact O-CB 3.29Å; S260-D263 PolarHBondContact O-N 2.92Å; S260-D263 PolarHBondContact OG-N 3.39Å; S260-D263 PolarHBondContact OG-OD2 2.72Å; D263-E267 PolarHBondContact O-N 3.34Å; D263-E267 VanDerWaalsContact O-N 3.08Å; D263-V268 HydrophobicContact CB-CB 4.48Å; D263-V268 PolarHBondContact O-N 2.97Å; D263-V268 VanDerWaalsContact O-N 3.13Å
264A78.7Confident77.5Confident64 Ų6484.8 Ų84.853%0.52946%0.46SS..Hα-helixtrans-67.2-42.1174.800000112.2S260 I261 Y262 K266S260-A264 PolarHBondContact O-N 3.09Å; I261-A264 PolarHBondContact O-N 2.81Å; Y262-A264 VanDerWaalsContact C-N 3.29Å; Y262-A264 PolarHBondContact O-N 2.79Å; A264-K266 VanDerWaalsContact C-N 3.34Å
265I81.4Confident77.3Confident132 Ų13290.1 Ų90.168%0.67749%0.487SS*.Hα-helixtrans-68.8-33.8179.3-64.5163.9000111.6I261 Y262I261-I265 HydrophobicContact CG2-CD1 3.99Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.4Å; I261-I265 PolarHBondContact O-N 2.89Å; I261-I265 VanDerWaalsContact O-N 3.13Å; Y262-I265 PolarHBondContact O-N 3.34Å
266K78.9Confident77.3Confident167 Ų16794.8 Ų94.873%0.72649%0.493SS*.THydrogen-bonded Turntrans-93.41.4-178.8-77.7-166.8174.6-168.40114.6Y262 A264 V268Y262-K266 WeakPolarHBondContact O-CB 3.49Å; Y262-K266 PolarHBondContact O-N 3.36Å; A264-K266 VanDerWaalsContact C-N 3.34Å; K266-V268 HydrophobicContact CB-CG2 3.59Å; K266-V268 PolarHBondContact O-N 2.83Å
267E73.9Confident77.6Confident180 Ų18098.1 Ų98.184%0.84150%0.503SS*.THydrogen-bonded Turntrans46.143.6-173.5-61.1-163.916100113.5D263 N269D263-E267 PolarHBondContact O-N 3.34Å; D263-E267 VanDerWaalsContact O-N 3.08Å; E267-N269 PolarHBondContact O-N 2.7Å
268V74.1Confident77.5Confident56 Ų5694.4 Ų94.434%0.33950%0.497SS..  trans-72.7129.9-175.5-177.10000110.1D263 K266 L270 T273D263-V268 HydrophobicContact CB-CB 4.48Å; D263-V268 PolarHBondContact O-N 2.97Å; D263-V268 VanDerWaalsContact O-N 3.13Å; K266-V268 HydrophobicContact CB-CG2 3.59Å; K266-V268 PolarHBondContact O-N 2.83Å; V268-L270 PolarHBondContact O-N 3.36Å; V268-T273 HydrophobicContact CG1-CG2 4.13Å
269N74.9Confident77.7Confident95 Ų9592 Ų9251%0.50848%0.483SS..  trans-7395.8170.4-170-16.2000110.1E267 A271 A272E267-N269 PolarHBondContact O-N 2.7Å; N269-A271 PolarHBondContact O-N 2.87Å; N269-A271 VanDerWaalsContact O-N 3.11Å; N269-A271 VanDerWaalsContact OD1-CB 3.29Å; N269-A271 WeakPolarHBondContact OD1-CB 3.33Å; N269-A271 PolarHBondContact OD1-N 3Å; N269-A271 VanDerWaalsContact OD1-N 3.08Å; N269-A272 HydrophobicContact CB-CB 4.35Å; N269-A272 WeakPolarHBondContact O-CB 3.46Å; N269-A272 PolarHBondContact O-N 3.24Å
270L73.4Confident77.6Confident16 Ų1689 Ų898%0.08447%0.468CS..G310 helixtrans-53.2-31.3178-78.3164.3000113.1I256 Q259 V268 A272 T273 M310I256-L270 HydrophobicContact CG2-CB 4.01Å; I256-L270 HydrophobicContact CG2-CD2 3.86Å; I256-L270 HydrophobicContact CG2-CG 4.45Å; Q259-L270 HydrophobicContact CB-CD1 3.8Å; Q259-L270 HydrophobicContact CG-CD1 3.73Å; V268-L270 PolarHBondContact O-N 3.36Å; L270-A272 PolarHBondContact O-N 3.12Å; L270-T273 PolarHBondContact O-N 2.76Å; L270-T273 VanDerWaalsContact O-N 3.16Å; L270-T273 PolarHBondContact O-OG1 3.17Å; L270-M310 HydrophobicContact CB-CE 4.15Å
271A70.6Confident76.9Confident22 Ų2292.3 Ų92.318%0.18248%0.475CS..G310 helixtrans-66.8-24.617800000113.6P253 N269 T273 V312P253-A271 VanDerWaalsContact CG-CA 3.47Å; P253-A271 HydrophobicContact CG-CB 3.57Å; N269-A271 PolarHBondContact O-N 2.87Å; N269-A271 VanDerWaalsContact O-N 3.11Å; N269-A271 VanDerWaalsContact OD1-CB 3.29Å; N269-A271 WeakPolarHBondContact OD1-CB 3.33Å; N269-A271 PolarHBondContact OD1-N 3Å; N269-A271 VanDerWaalsContact OD1-N 3.08Å; A271-T273 VanDerWaalsContact C-N 3.33Å; A271-V312 HydrophobicContact CB-CG1 3.65Å
272A76.3Confident76.2Confident81 Ų8186.3 Ų86.367%0.66945%0.445SS*.G310 helixtrans-85.8-4.5176.900000113.3N269 L270 T274N269-A272 HydrophobicContact CB-CB 4.35Å; N269-A272 WeakPolarHBondContact O-CB 3.46Å; N269-A272 PolarHBondContact O-N 3.24Å; L270-A272 PolarHBondContact O-N 3.12Å; A272-T274 VanDerWaalsContact C-N 3.33Å
273T76.3Confident75.4Confident81 Ų8182.2 Ų82.250%0.49744%0.44SS..G310 helixtrans-82.8-10.1-176.465.80000113.8V268 L270 A271V268-T273 HydrophobicContact CG1-CG2 4.13Å; L270-T273 PolarHBondContact O-N 2.76Å; L270-T273 VanDerWaalsContact O-N 3.16Å; L270-T273 PolarHBondContact O-OG1 3.17Å; A271-T273 VanDerWaalsContact C-N 3.33Å
274T75.6Confident74Confident29 Ų2988 Ų8818%0.17847%0.47CS..  trans-145.1137.5-177-178.70000110.7P253 A254 I256 A272 K276P253-T274 HydrophobicContact CB-CG2 3.47Å; P253-T274 VanDerWaalsContact CB-CG2 3.47Å; A254-T274 VanDerWaalsContact O-CG2 3.28Å; A254-T274 WeakPolarHBondContact O-CG2 3.39Å; A254-T274 PolarHBondContact O-OG1 3.4Å; I256-T274 HydrophobicContact CG1-CG2 4.1Å; A272-T274 VanDerWaalsContact C-N 3.33Å; T274-K276 PolarHBondContact OG1-N 3.07Å
275D74.1Confident73.2Confident129 Ų12989.1 Ų89.169%0.6947%0.467SS*.  trans-88.1-9.2171.3-82.2-50.2000113.2R277D275-R277 PolarHBondContact O-N 3.15Å; D275-R277 PolarHBondContact O-NH1 3.43Å; D275-R277 IonicContact OD1-NH1 3.39Å; D275-R277 PolarHBondContact OD1-NH1 2.7Å; D275-R277 IonicContact OD1-NH2 2.72Å
276K76.6Confident73.1Confident150 Ų15083.9 Ų83.965%0.65244%0.444SS*.  trans-71.6130.4176.5-60.7-176.5179.5-177.30108.4P253 A254 T274P253-K276 CarbonylContact C-O 3.43Å; P253-K276 WeakPolarHBondContact CA-O 3.21Å; A254-K276 HydrophobicContact CB-CB 3.99Å; A254-K276 PolarHBondContact N-O 3.35Å; T274-K276 PolarHBondContact OG1-N 3.07Å
277R81.4Confident73.5Confident99 Ų9980.5 Ų80.537%0.37443%0.433SS..EExtended strand (participates in β ladder)trans-124.8137-174.5-71.4158.4173.990.6-3.9108.7C140 T251 V252 D275C140-R277 PolarHBondContact O-NE 2.98Å; C140-R277 PolarHBondContact O-NH2 2.88Å; T251-R277 HydrophobicContact CG2-CB 3.68Å; T251-R277 HydrophobicContact CG2-CG 3.93Å; V252-R277 WeakPolarHBondContact O-CA 3.26Å; D275-R277 PolarHBondContact O-N 3.15Å; D275-R277 PolarHBondContact O-NH1 3.43Å; D275-R277 IonicContact OD1-NH1 3.39Å; D275-R277 PolarHBondContact OD1-NH1 2.7Å; D275-R277 IonicContact OD1-NH2 2.72Å
278T79Confident74.2Confident71 Ų7175.6 Ų75.644%0.43641%0.409SS..EExtended strand (participates in β ladder)trans-128.3139.1172.147.10000109.1V252 A254V252-T278 WeakPolarHBondContact CG2-O 3.47Å; V252-T278 WeakPolarHBondContact CG2-OG1 3.21Å; V252-T278 PolarHBondContact N-O 3.39Å; V252-T278 PolarHBondContact O-N 2.92Å; A254-T278 HydrophobicContact CB-CG2 3.52Å
279S81.2Confident74.9Confident53 Ų5376.9 Ų76.937%0.37141%0.411SS..EExtended strand (participates in β ladder)trans-95.7133.5176.843.30000110.7L168 V250L168-S279 WeakPolarHBondContact CD2-OG 3.43Å; V250-S279 WeakPolarHBondContact O-CA 3.34Å
280F73.9Confident75.7Confident80 Ų8074 Ų7435%0.35140%0.396SS..EExtended strand (participates in β ladder)trans-142156.7170.166.9-108000111.4P249 V250 V252 L282P249-F280 CarbonylContact C-O 3.38Å; P249-F280 WeakPolarHBondContact CA-O 3.3Å; V250-F280 HydrophobicContact CG2-CD2 4.12Å; V250-F280 HydrophobicContact CG2-CE2 3.85Å; V250-F280 HydrophobicContact CG2-CZ 4.28Å; V250-F280 VanDerWaalsContact CG2-O 3.32Å; V250-F280 WeakPolarHBondContact CG2-O 2.98Å; V250-F280 PolarHBondContact N-O 2.82Å; V250-F280 PolarHBondContact O-N 2.84Å; V252-F280 HydrophobicContact CB-CD1 4.35Å; V252-F280 HydrophobicContact CB-CE1 3.72Å; V252-F280 HydrophobicContact CB-CZ 4.49Å; V252-F280 HydrophobicContact CG1-CD1 3.98Å; V252-F280 HydrophobicContact CG1-CE1 3.11Å; V252-F280 HydrophobicContact CG1-CZ 3.45Å; V252-F280 VanDerWaalsContact CG1-CZ 3.45Å; V252-F280 HydrophobicContact CG2-CD1 3.52Å; V252-F280 HydrophobicContact CG2-CE1 3.25Å; V252-F280 HydrophobicContact CG2-CZ 4.41Å; F280-L282 HydrophobicContact CE2-CD1 4.15Å; F280-L282 PolarHBondContact O-N 2.8Å
281Y67.8Low76.6Confident106 Ų10678.4 Ų78.442%0.41642%0.416SS..  trans-75.8115.2169-71-92000109.5P249P249-Y281 HydrophobicContact CG-CD2 4.31Å; P249-Y281 HydrophobicContact CG-CE1 4.05Å; P249-Y281 HydrophobicContact CG-CE2 3.79Å
282L68.6Low77.7Confident12 Ų1278.2 Ų78.26%0.06341%0.411CS..  trans-54.3137.4170.6-170.473.7000108.2L244 L246 V250 F280 L284 F309L244-L282 HydrophobicContact CB-CD2 4Å; L244-L282 HydrophobicContact CD2-CD2 3.64Å; L244-L282 HydrophobicContact CG-CD2 4.49Å; L246-L282 HydrophobicContact CD1-CB 4.25Å; L246-L282 HydrophobicContact CD1-CD2 3.79Å; L246-L282 HydrophobicContact CG-CD2 4.46Å; V250-L282 HydrophobicContact CG2-CB 4.14Å; F280-L282 HydrophobicContact CE2-CD1 4.15Å; F280-L282 PolarHBondContact O-N 2.8Å; L282-L284 PolarHBondContact O-N 2.86Å; L282-F309 HydrophobicContact CD1-CB 4.29Å; L282-F309 HydrophobicContact CD1-CD1 3.94Å; L282-F309 HydrophobicContact CD1-CG 4.22Å
283P63.8Low78.5Confident95 Ų9575.8 Ų75.862%0.61739%0.389SS*.  trans-45.4112.2178.9-30.135.1000110.2D285 A286P283-D285 PolarHBondContact O-N 2.96Å; P283-A286 PolarHBondContact O-N 2.72Å; P283-A286 VanDerWaalsContact O-N 3.17Å
284L53.5Low79.1Confident130 Ų13073 Ų7368%0.68137%0.373SS*.THydrogen-bonded Turntrans-57.2116-172.9-67.7160.2000106.7L282L282-L284 PolarHBondContact O-N 2.86Å
285D63.2Low79.8Confident87 Ų8775.8 Ų75.847%0.46539%0.39SS..THydrogen-bonded Turntrans84.336.5-178.2-55.8-30.1000117.7K245 P283 I287K245-D285 WeakPolarHBondContact CE-OD1 3.39Å; K245-D285 WeakPolarHBondContact CG-OD1 3.43Å; K245-D285 VanDerWaalsContact NZ-CG 3.34Å; K245-D285 IonicContact NZ-OD1 3.59Å; K245-D285 PolarHBondContact NZ-OD1 3.46Å; K245-D285 IonicContact NZ-OD2 3.3Å; K245-D285 PolarHBondContact NZ-OD2 2.76Å; P283-D285 PolarHBondContact O-N 2.96Å; D285-I287 PolarHBondContact O-N 3.33Å
286A79.3Confident80.7Confident23 Ų2370.7 Ų70.719%0.1936%0.364CS..EExtended strand (participates in β ladder)trans-60.8120.9160.200000110.9L244 P283 F309L244-A286 HydrophobicContact CB-CB 4.33Å; L244-A286 WeakPolarHBondContact CB-O 3.43Å; L244-A286 WeakPolarHBondContact CD1-O 3.4Å; L244-A286 PolarHBondContact N-O 2.91Å; P283-A286 PolarHBondContact O-N 2.72Å; P283-A286 VanDerWaalsContact O-N 3.17Å; A286-F309 HydrophobicContact CB-CZ 4.47Å
287I86.1Confident81.4Confident95 Ų9565.6 Ų65.649%0.48735%0.346SS..EExtended strand (participates in β ladder)trans-101.3123.8171.6-56.7174.5000107.9K241 V242 H243 D285K241-I287 HydrophobicContact CB-CG2 4.23Å; V242-I287 WeakPolarHBondContact O-CA 3.32Å; H243-I287 WeakPolarHBondContact CE1-CD1 3.44Å; D285-I287 PolarHBondContact O-N 3.33Å
288K87.8Confident81.8Confident77 Ų7761 Ų6134%0.33533%0.329SS..EExtended strand (participates in β ladder)trans-112.4123.6173.7-165.664-175.6167.50111.3V242 L244 L290 L305V242-K288 PolarHBondContact N-O 3.02Å; V242-K288 PolarHBondContact O-N 2.97Å; L244-K288 HydrophobicContact CD1-CB 4.12Å; K288-L290 HydrophobicContact CG-CD2 3.61Å; K288-L290 HydrophobicContact CG-CG 4.27Å; K288-L305 HydrophobicContact CB-CD2 3.95Å; K288-L305 HydrophobicContact CG-CD2 3.98Å
289Q90.1Very high82.3Confident84 Ų8459.4 Ų59.439%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-84.7126.4167.1-171.8168.344.100109.3F239 I240F239-Q289 HydrophobicContact CB-CG 4.41Å; F239-Q289 HydrophobicContact CD1-CG 4.15Å; I240-Q289 CarbonylContact O-C 3.5Å; I240-Q289 VanDerWaalsContact O-CA 3.3Å; I240-Q289 WeakPolarHBondContact O-CA 3.22Å
290L91.9Very high82.8Confident35 Ų3561.8 Ų61.818%0.18333%0.325CS..EExtended strand (participates in β ladder)trans-121.3139.5-178.6-58.5178.5000109.3F239 I240 V242 K288 I292 V301 L305F239-L290 CarbonylContact C-O 3.58Å; F239-L290 VanDerWaalsContact CA-O 3.24Å; F239-L290 WeakPolarHBondContact CA-O 3.49Å; I240-L290 HydrophobicContact CG1-CB 4.07Å; I240-L290 PolarHBondContact N-O 3.43Å; I240-L290 PolarHBondContact O-N 2.73Å; V242-L290 HydrophobicContact CG2-CD1 3.89Å; K288-L290 HydrophobicContact CG-CD2 3.61Å; K288-L290 HydrophobicContact CG-CG 4.27Å; L290-I292 HydrophobicContact CB-CG2 4.15Å; L290-V301 HydrophobicContact CD1-CG1 3.82Å; L290-L305 HydrophobicContact CD1-CD1 4.28Å; L290-L305 HydrophobicContact CD1-CD2 4.02Å; L290-L305 HydrophobicContact CD1-CG 4.13Å; L290-L305 HydrophobicContact CD2-CD2 4.12Å; L290-L305 HydrophobicContact CG-CD2 4.47Å
291H91.3Very high83.7Confident108 Ų10858.2 Ų58.250%0.531%0.31SS..EExtended strand (participates in β ladder)trans-96.7127.4166.3-177.4-119000108.2T237 G238 F239T237-H291 WeakPolarHBondContact CB-NE2 3.3Å; T237-H291 PolarHBondContact OG1-NE2 3.49Å; G238-H291 WeakPolarHBondContact O-CA 3.29Å; G238-H291 PolarHBondContact O-CD2 3.07Å; F239-H291 HydrophobicContact CD1-CB 3.94Å; F239-H291 HydrophobicContact CE1-CB 3.7Å; F239-H291 AromaticContact CE1-CD2 3.99Å; F239-H291 AromaticContact CE2-CD2 3.96Å; F239-H291 HydrophobicContact CZ-CB 4.34Å; F239-H291 AromaticContact CZ-CD2 3.83Å
292I94Very high84.8Confident17 Ų1754 Ų549%0.08730%0.295CS..EExtended strand (participates in β ladder)trans-143.3163.1-172.565.1-157.7000110.9T237 G238 I240 L290 T296 F342T237-I292 CarbonylContact C-O 3.45Å; T237-I292 WeakPolarHBondContact CA-O 3.08Å; T237-I292 WeakPolarHBondContact CB-O 3.33Å; G238-I292 PolarHBondContact N-O 3.44Å; G238-I292 PolarHBondContact O-N 3.26Å; I240-I292 HydrophobicContact CB-CD1 4.1Å; I240-I292 HydrophobicContact CD1-CD1 3.32Å; I240-I292 HydrophobicContact CG1-CD1 3.53Å; I240-I292 HydrophobicContact CG2-CD1 3.55Å; L290-I292 HydrophobicContact CB-CG2 4.15Å; I292-T296 HydrophobicContact CB-CG2 4.15Å; I292-T296 HydrophobicContact CG2-CG2 4.07Å; I292-F342 HydrophobicContact CB-CE1 4.39Å; I292-F342 HydrophobicContact CD1-CD1 3.22Å; I292-F342 HydrophobicContact CD1-CE1 3.07Å; I292-F342 HydrophobicContact CD1-CG 4.21Å; I292-F342 HydrophobicContact CD1-CZ 4.09Å; I292-F342 HydrophobicContact CG1-CD1 3.89Å; I292-F342 HydrophobicContact CG1-CE1 3.53Å; I292-F342 HydrophobicContact CG1-CZ 4.09Å
293S93.1Very high85.8Confident30 Ų3058.1 Ų58.121%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-101.7165177.367.90000112.2Y236 T295 T296 F342Y236-S293 CarbonylContact O-C 3.14Å; Y236-S293 VanDerWaalsContact O-CA 3.3Å; Y236-S293 WeakPolarHBondContact O-CA 3.21Å; S293-T295 PolarHBondContact O-N 2.93Å; S293-T295 PolarHBondContact OG-N 2.89Å; S293-T295 PolarHBondContact OG-OG1 2.94Å; S293-T296 PolarHBondContact N-OG1 3.31Å; S293-T296 WeakPolarHBondContact O-CB 3.27Å; S293-T296 PolarHBondContact O-N 3.31Å; S293-T296 PolarHBondContact O-OG1 3.29Å; S293-T296 PolarHBondContact OG-N 3.31Å; S293-T296 PolarHBondContact OG-OG1 3.07Å; S293-F342 VanDerWaalsContact O-CE2 3.29Å; S293-F342 WeakPolarHBondContact O-CE2 3.31Å; S293-F342 WeakPolarHBondContact O-CZ 3.46Å
294S89.4Confident87.1Confident23 Ų2355.6 Ų55.616%0.16130%0.304CS..THydrogen-bonded Turntrans-56.7-19.317360.40000113.8T235 Y236 T339T235-S294 WeakPolarHBondContact CA-OG 3.49Å; T235-S294 WeakPolarHBondContact CB-OG 3.37Å; Y236-S294 VanDerWaalsContact CZ-CB 3.46Å; Y236-S294 PolarHBondContact N-OG 2.94Å; Y236-S294 PolarHBondContact O-N 3.14Å; S294-T339 WeakPolarHBondContact O-CG2 3.17Å
295T89.9Confident88.8Confident88 Ų8850.1 Ų50.154%0.5428%0.276SS..THydrogen-bonded Turntrans-99.9-7.8-179.853.20000113.4T235 S293 T297T235-T295 HydrophobicContact CG2-CG2 4.23Å; S293-T295 PolarHBondContact O-N 2.93Å; S293-T295 PolarHBondContact OG-N 2.89Å; S293-T295 PolarHBondContact OG-OG1 2.94Å; T295-T297 PolarHBondContact O-N 3.48Å
296T92.1Very high90Very high21 Ų2146.8 Ų46.813%0.12926%0.258CS..  trans-67.4126.8-178.5-53.40000110.6I292 S293 E300 V301 V340I292-T296 HydrophobicContact CB-CG2 4.15Å; I292-T296 HydrophobicContact CG2-CG2 4.07Å; S293-T296 PolarHBondContact N-OG1 3.31Å; S293-T296 WeakPolarHBondContact O-CB 3.27Å; S293-T296 PolarHBondContact O-N 3.31Å; S293-T296 PolarHBondContact O-OG1 3.29Å; S293-T296 PolarHBondContact OG-N 3.31Å; S293-T296 PolarHBondContact OG-OG1 3.07Å; T296-E300 WeakPolarHBondContact CA-OE2 3.39Å; T296-E300 HydrophobicContact CG2-CB 4.21Å; T296-V301 HydrophobicContact CG2-CG2 3.84Å; T296-V340 PolarHBondContact O-N 3.27Å
297T91.4Very high90.3Very high44 Ų4453.4 Ų53.427%0.2728%0.283SS..BIsolated β-bridgetrans-89.9159.7-177.365.40000112.7T295 S299 E300 V301T295-T297 PolarHBondContact O-N 3.48Å; T297-S299 PolarHBondContact O-N 3.23Å; T297-E300 PolarHBondContact N-OE2 3.43Å; T297-E300 PolarHBondContact O-N 3.47Å; T297-E300 VanDerWaalsContact OG1-CG 3.26Å; T297-E300 WeakPolarHBondContact OG1-CG 2.78Å; T297-E300 PolarHBondContact OG1-N 3.48Å; T297-E300 PolarHBondContact OG1-OE2 3.29Å; T297-V301 WeakPolarHBondContact O-CG2 3.11Å; T297-V301 PolarHBondContact O-N 3.08Å; T297-V301 VanDerWaalsContact O-N 3.11Å
298V89.9Confident90.3Very high3 Ų355.7 Ų55.72%0.01829%0.289CS..Hα-helixtrans-57.2-40.6174.3171.80000110.9V301 I302 L320 E335 Q338 V340V298-V301 PolarHBondContact O-N 3.34Å; V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.35Å; V298-I302 WeakPolarHBondContact O-CG1 3.46Å; V298-I302 PolarHBondContact O-N 3.13Å; V298-L320 HydrophobicContact CG1-CB 3.78Å; V298-E335 HydrophobicContact CG2-CB 3.89Å; V298-Q338 WeakPolarHBondContact CG2-O 3.36Å; V298-Q338 PolarHBondContact N-O 3.31Å; V298-Q338 VanDerWaalsContact N-O 3.11Å; V298-V340 HydrophobicContact CB-CG2 4.19Å; V298-V340 HydrophobicContact CG2-CB 4.43Å; V298-V340 HydrophobicContact CG2-CG2 3.57Å
299S90.1Very high89.9Confident37 Ų3754.8 Ų54.826%0.25929%0.285SS..Hα-helixtrans-61.7-45.2179.1-176.50000111.9T297 V301 I302 Q303T297-S299 PolarHBondContact O-N 3.23Å; S299-V301 VanDerWaalsContact C-N 3.33Å; S299-V301 PolarHBondContact O-N 2.83Å; S299-I302 PolarHBondContact O-N 3.44Å; S299-Q303 WeakPolarHBondContact O-CB 3.47Å; S299-Q303 VanDerWaalsContact O-CG 3.26Å; S299-Q303 WeakPolarHBondContact O-CG 3.08Å; S299-Q303 PolarHBondContact O-N 3.16Å; S299-Q303 PolarHBondContact OG-NE2 3.34Å
300E91.5Very high89.5Confident102 Ų10254.3 Ų54.348%0.47728%0.284SS..Hα-helixtrans-62.9-40.3177.4-72.9165.215800111.8T296 T297 G304T296-E300 WeakPolarHBondContact CA-OE2 3.39Å; T296-E300 HydrophobicContact CG2-CB 4.21Å; T297-E300 PolarHBondContact N-OE2 3.43Å; T297-E300 PolarHBondContact O-N 3.47Å; T297-E300 VanDerWaalsContact OG1-CG 3.26Å; T297-E300 WeakPolarHBondContact OG1-CG 2.78Å; T297-E300 PolarHBondContact OG1-N 3.48Å; T297-E300 PolarHBondContact OG1-OE2 3.29Å; E300-G304 PolarHBondContact O-N 3.32Å
301V92.6Very high89.2Confident6 Ų653.1 Ų53.14%0.03628%0.278CS..Hα-helixtrans-62.3-47.1175.5173.70000110.9V242 L290 T296 T297 V298 S299 L305 L320 V340V242-V301 HydrophobicContact CG2-CG1 4.38Å; L290-V301 HydrophobicContact CD1-CG1 3.82Å; T296-V301 HydrophobicContact CG2-CG2 3.84Å; T297-V301 WeakPolarHBondContact O-CG2 3.11Å; T297-V301 PolarHBondContact O-N 3.08Å; T297-V301 VanDerWaalsContact O-N 3.11Å; V298-V301 PolarHBondContact O-N 3.34Å; S299-V301 VanDerWaalsContact C-N 3.33Å; S299-V301 PolarHBondContact O-N 2.83Å; V301-L305 HydrophobicContact CG1-CD1 3.92Å; V301-L305 WeakPolarHBondContact O-CB 3.36Å; V301-L305 VanDerWaalsContact O-CG 3.24Å; V301-L305 WeakPolarHBondContact O-CG 3.44Å; V301-L305 PolarHBondContact O-N 2.77Å; V301-L320 HydrophobicContact CG1-CD2 4.32Å; V301-V340 HydrophobicContact CG2-CG2 4.03Å
302I91Very high88.9Confident18 Ų1850.6 Ų50.69%0.09227%0.27CS..Hα-helixtrans-61.6-52.6178.4-69.1170.5000110V298 S299 G304 L305 L306 P315 F318V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.35Å; V298-I302 WeakPolarHBondContact O-CG1 3.46Å; V298-I302 PolarHBondContact O-N 3.13Å; S299-I302 PolarHBondContact O-N 3.44Å; I302-G304 VanDerWaalsContact C-N 3.34Å; I302-G304 PolarHBondContact O-N 2.77Å; I302-L305 PolarHBondContact O-N 3.3Å; I302-L306 HydrophobicContact CG2-CD1 3.83Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 VanDerWaalsContact O-CG 3.3Å; I302-L306 WeakPolarHBondContact O-CG 3.32Å; I302-L306 PolarHBondContact O-N 2.67Å; I302-P315 HydrophobicContact CG2-CB 4.04Å; I302-F318 HydrophobicContact CG2-CB 3.8Å; I302-F318 HydrophobicContact CG2-CG 4.44Å
303Q89.9Confident88.5Confident98 Ų9850.6 Ų50.646%0.45827%0.27SS..Hα-helixtrans-59.3-44.1-179.6-71.9175.4-0.700112S299 L305 L306 K307 P315S299-Q303 WeakPolarHBondContact O-CB 3.47Å; S299-Q303 VanDerWaalsContact O-CG 3.26Å; S299-Q303 WeakPolarHBondContact O-CG 3.08Å; S299-Q303 PolarHBondContact O-N 3.16Å; S299-Q303 PolarHBondContact OG-NE2 3.34Å; Q303-L305 VanDerWaalsContact C-N 3.35Å; Q303-L305 PolarHBondContact O-N 3.36Å; Q303-L306 PolarHBondContact O-N 2.93Å; Q303-K307 WeakPolarHBondContact O-CB 3.39Å; Q303-K307 PolarHBondContact O-N 3.43Å; Q303-P315 HydrophobicContact CG-CB 4.12Å; Q303-P315 HydrophobicContact CG-CG 4.38Å
304G90.2Very high88Confident41 Ų4150.2 Ų50.242%0.42327%0.266SS..Hα-helixtrans-61.8-41.3177.300000112.6E300 I302 K308E300-G304 PolarHBondContact O-N 3.32Å; I302-G304 VanDerWaalsContact C-N 3.34Å; I302-G304 PolarHBondContact O-N 2.77Å; G304-K308 VanDerWaalsContact O-CB 3.29Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.26Å
305L90.3Very high87.8Confident15 Ų1551.2 Ų51.28%0.07927%0.272CS..Hα-helixtrans-65.9-48.2175.3-73.9171.7000111.8V242 L244 K288 L290 V301 I302 Q303 K307 K308 F309V242-L305 HydrophobicContact CB-CD1 4.18Å; V242-L305 HydrophobicContact CG1-CD1 3.73Å; V242-L305 HydrophobicContact CG2-CD1 4.37Å; L244-L305 HydrophobicContact CD1-CD2 4.32Å; K288-L305 HydrophobicContact CB-CD2 3.95Å; K288-L305 HydrophobicContact CG-CD2 3.98Å; L290-L305 HydrophobicContact CD1-CD1 4.28Å; L290-L305 HydrophobicContact CD1-CD2 4.02Å; L290-L305 HydrophobicContact CD1-CG 4.13Å; L290-L305 HydrophobicContact CD2-CD2 4.12Å; L290-L305 HydrophobicContact CG-CD2 4.47Å; V301-L305 HydrophobicContact CG1-CD1 3.92Å; V301-L305 WeakPolarHBondContact O-CB 3.36Å; V301-L305 VanDerWaalsContact O-CG 3.24Å; V301-L305 WeakPolarHBondContact O-CG 3.44Å; V301-L305 PolarHBondContact O-N 2.77Å; I302-L305 PolarHBondContact O-N 3.3Å; Q303-L305 VanDerWaalsContact C-N 3.35Å; Q303-L305 PolarHBondContact O-N 3.36Å; L305-K307 VanDerWaalsContact C-N 3.35Å; L305-K307 PolarHBondContact O-N 3.28Å; L305-K308 WeakPolarHBondContact O-CB 3.19Å; L305-K308 PolarHBondContact O-N 3.39Å; L305-K308 VanDerWaalsContact O-N 3.15Å; L305-F309 HydrophobicContact CD2-CE2 4.32Å; L305-F309 VanDerWaalsContact O-CD2 3.22Å; L305-F309 WeakPolarHBondContact O-CD2 3.46Å; L305-F309 PolarHBondContact O-N 2.98Å
306L87.5Confident87.6Confident18 Ų1854.2 Ų54.29%0.09428%0.279CS..Hα-helixtrans-60.2-45.4179-63.8175.6000111.3I302 Q303 K308 F309 M310 V311 P315 F318I302-L306 HydrophobicContact CG2-CD1 3.83Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 VanDerWaalsContact O-CG 3.3Å; I302-L306 WeakPolarHBondContact O-CG 3.32Å; I302-L306 PolarHBondContact O-N 2.67Å; Q303-L306 PolarHBondContact O-N 2.93Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.08Å; L306-F309 CarbonylContact O-C 3.59Å; L306-F309 PolarHBondContact O-N 3.11Å; L306-M310 PolarHBondContact O-N 3Å; L306-V311 HydrophobicContact CB-CB 4.21Å; L306-V311 HydrophobicContact CD2-CB 3.82Å; L306-V311 HydrophobicContact CD2-CG1 3.71Å; L306-V311 HydrophobicContact CD2-CG2 4.43Å; L306-V311 PolarHBondContact O-N 3.43Å; L306-P315 HydrophobicContact CD1-CB 4.01Å; L306-F318 HydrophobicContact CD1-CD2 3.59Å; L306-F318 HydrophobicContact CD1-CE2 3.65Å; L306-F318 HydrophobicContact CD1-CG 4.32Å; L306-F318 HydrophobicContact CD1-CZ 4.44Å; L306-F318 HydrophobicContact CD2-CD1 4.08Å; L306-F318 HydrophobicContact CD2-CD2 3.92Å; L306-F318 HydrophobicContact CD2-CE1 3.74Å; L306-F318 HydrophobicContact CD2-CE2 3.56Å; L306-F318 HydrophobicContact CD2-CG 4.16Å; L306-F318 HydrophobicContact CD2-CZ 3.47Å; L306-F318 VanDerWaalsContact CD2-CZ 3.47Å; L306-F318 HydrophobicContact CG-CD2 4.34Å; L306-F318 HydrophobicContact CG-CE2 4.26Å
307K86.3Confident87.3Confident162 Ų16256.7 Ų56.770%0.70429%0.288SS*.Hα-helixtrans-59-43.7174.6-173.6177.1-178.5-179.90111.6Q303 L305 F309 M310Q303-K307 WeakPolarHBondContact O-CB 3.39Å; Q303-K307 PolarHBondContact O-N 3.43Å; L305-K307 VanDerWaalsContact C-N 3.35Å; L305-K307 PolarHBondContact O-N 3.28Å; K307-F309 VanDerWaalsContact C-N 3.27Å; K307-F309 PolarHBondContact O-N 3.18Å; K307-M310 PolarHBondContact O-N 3.45Å; K307-M310 VanDerWaalsContact O-N 3.14Å
308K85Confident87.1Confident142 Ų14256.7 Ų56.762%0.61729%0.285SS*.Hα-helixtrans-62.5-34.6-179.8-176.960.2177.6-178.50112.8G304 L305 L306G304-K308 VanDerWaalsContact O-CB 3.29Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.26Å; L305-K308 WeakPolarHBondContact O-CB 3.19Å; L305-K308 PolarHBondContact O-N 3.39Å; L305-K308 VanDerWaalsContact O-N 3.15Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.08Å
309F81.4Confident87.1Confident58 Ų5859.2 Ų59.225%0.25431%0.306SS..THydrogen-bonded Turntrans-96.69.6178.2-69.1-74.6000113.4L244 L282 A286 L305 L306 K307 V311L244-F309 HydrophobicContact CD1-CE2 4.32Å; L244-F309 HydrophobicContact CD2-CD2 3.62Å; L244-F309 HydrophobicContact CD2-CE2 3.4Å; L244-F309 VanDerWaalsContact CD2-CE2 3.4Å; L244-F309 HydrophobicContact CD2-CZ 4.15Å; L282-F309 HydrophobicContact CD1-CB 4.29Å; L282-F309 HydrophobicContact CD1-CD1 3.94Å; L282-F309 HydrophobicContact CD1-CG 4.22Å; A286-F309 HydrophobicContact CB-CZ 4.47Å; L305-F309 HydrophobicContact CD2-CE2 4.32Å; L305-F309 VanDerWaalsContact O-CD2 3.22Å; L305-F309 WeakPolarHBondContact O-CD2 3.46Å; L305-F309 PolarHBondContact O-N 2.98Å; L306-F309 CarbonylContact O-C 3.59Å; L306-F309 PolarHBondContact O-N 3.11Å; K307-F309 VanDerWaalsContact C-N 3.27Å; K307-F309 PolarHBondContact O-N 3.18Å; F309-V311 HydrophobicContact CB-CG2 4.02Å; F309-V311 PolarHBondContact O-N 3.18Å
310M81.4Confident87.2Confident74 Ų7458.8 Ų58.837%0.36530%0.301SS..THydrogen-bonded Turntrans5528.4-178-54.8-173.667.900113.9V252 P253 I256 L270 L306 K307V252-M310 WeakPolarHBondContact CG1-O 3.47Å; P253-M310 WeakPolarHBondContact CD-O 3.34Å; I256-M310 HydrophobicContact CD1-CE 3.32Å; L270-M310 HydrophobicContact CB-CE 4.15Å; L306-M310 PolarHBondContact O-N 3Å; K307-M310 PolarHBondContact O-N 3.45Å; K307-M310 VanDerWaalsContact O-N 3.14Å
311V84.9Confident86.9Confident11 Ų1158.7 Ų58.77%0.06730%0.299CS..  trans-79.5124.2176178.40000108.6V250 T251 L306 F309 D313 F318V250-V311 HydrophobicContact CB-CG1 3.88Å; V250-V311 HydrophobicContact CB-CG2 3.92Å; V250-V311 HydrophobicContact CG1-CG1 4.04Å; V250-V311 HydrophobicContact CG1-CG2 4.19Å; V250-V311 HydrophobicContact CG2-CG2 3.97Å; T251-V311 WeakPolarHBondContact O-CA 3.43Å; L306-V311 HydrophobicContact CB-CB 4.21Å; L306-V311 HydrophobicContact CD2-CB 3.82Å; L306-V311 HydrophobicContact CD2-CG1 3.71Å; L306-V311 HydrophobicContact CD2-CG2 4.43Å; L306-V311 PolarHBondContact O-N 3.43Å; F309-V311 HydrophobicContact CB-CG2 4.02Å; F309-V311 PolarHBondContact O-N 3.18Å; V311-D313 HydrophobicContact CG1-CB 3.89Å; V311-F318 HydrophobicContact CG1-CZ 4.04Å
312V84.6Confident86.6Confident54 Ų5461.5 Ų61.533%0.32731%0.311SS..  trans-99.32-177.2-61.60000113.6T251 P253 A271T251-V312 HydrophobicContact CG2-CG2 3.67Å; T251-V312 WeakPolarHBondContact O-CG2 3.37Å; T251-V312 PolarHBondContact O-N 2.75Å; P253-V312 HydrophobicContact CG-CG1 3.86Å; A271-V312 HydrophobicContact CB-CG1 3.65Å
313D84.9Confident86.1Confident18 Ų1867.2 Ų67.210%0.09633%0.331CS..SBendtrans-60152.2174-81.1-93000112.6T251 V311 K317 F318T251-D313 WeakPolarHBondContact CA-OD2 3.36Å; T251-D313 WeakPolarHBondContact CB-OD2 3.26Å; T251-D313 PolarHBondContact N-OD2 3.28Å; T251-D313 PolarHBondContact OG1-OD2 3.38Å; T251-D313 VanDerWaalsContact OG1-OD2 3.12Å; V311-D313 HydrophobicContact CG1-CB 3.89Å; D313-K317 HydrophobicContact CB-CD 4.45Å; D313-K317 IonicContact OD1-NZ 3.71Å; D313-K317 PolarHBondContact OD1-NZ 3.38Å; D313-F318 HydrophobicContact CB-CE2 3.59Å; D313-F318 HydrophobicContact CB-CZ 3.81Å
314N83.4Confident85.7Confident21 Ų2165.5 Ų65.511%0.11232%0.324CS..  trans-60125.7175.5178.3-9.8000109.9W136 Q316 K317 F318W136-N314 VanDerWaalsContact CD2-ND2 3.26Å; W136-N314 PolarHBondContact NE1-ND2 3.44Å; N314-Q316 PolarHBondContact O-N 2.9Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.26Å; N314-Q316 WeakPolarHBondContact OD1-CG 3.37Å; N314-Q316 PolarHBondContact OD1-N 3.19Å; N314-K317 HydrophobicContact CB-CG 4.26Å; N314-K317 WeakPolarHBondContact O-CB 3.5Å; N314-K317 PolarHBondContact O-N 2.95Å; N314-F318 WeakPolarHBondContact O-CD2 3.19Å
315P86Confident84.2Confident44 Ų4470.1 Ų70.129%0.28634%0.335SS..G310 helixtrans-55.6-26.7178.622.3-34.5000113.6I302 Q303 L306 K317 F318I302-P315 HydrophobicContact CG2-CB 4.04Å; Q303-P315 HydrophobicContact CG-CB 4.12Å; Q303-P315 HydrophobicContact CG-CG 4.38Å; L306-P315 HydrophobicContact CD1-CB 4.01Å; P315-K317 PolarHBondContact O-N 3.22Å; P315-F318 PolarHBondContact O-N 2.65Å
316Q84.5Confident82.2Confident151 Ų15176.3 Ų76.371%0.70636%0.361SS*.G310 helixtrans-67.7-14.1176.9-64.1-176.5-26.900114.1N314 F318N314-Q316 PolarHBondContact O-N 2.9Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.26Å; N314-Q316 WeakPolarHBondContact OD1-CG 3.37Å; N314-Q316 PolarHBondContact OD1-N 3.19Å; Q316-F318 PolarHBondContact O-N 3.43Å
317K86.3Confident80.2Confident73 Ų7382.8 Ų82.832%0.31740%0.396SS..G310 helixtrans-76.1-11.1171.5-60.5-176-168.8179.20112.7D138 D313 N314 P315D138-K317 WeakPolarHBondContact OD1-CE 3.48Å; D138-K317 IonicContact OD1-NZ 2.74Å; D138-K317 PolarHBondContact OD1-NZ 3.49Å; D313-K317 HydrophobicContact CB-CD 4.45Å; D313-K317 IonicContact OD1-NZ 3.71Å; D313-K317 PolarHBondContact OD1-NZ 3.38Å; N314-K317 HydrophobicContact CB-CG 4.26Å; N314-K317 WeakPolarHBondContact O-CB 3.5Å; N314-K317 PolarHBondContact O-N 2.95Å; P315-K317 PolarHBondContact O-N 3.22Å
318F87.8Confident78.6Confident44 Ų4479.5 Ų79.519%0.19341%0.408CS..  trans-110.3152.9-176.4-57.2-92000110.6L246 V250 I302 L306 V311 D313 N314 P315 Q316L246-F318 HydrophobicContact CD1-CE1 3.99Å; L246-F318 HydrophobicContact CD2-CD1 3.75Å; L246-F318 HydrophobicContact CD2-CE1 3.72Å; V250-F318 HydrophobicContact CG1-CE1 4.48Å; V250-F318 HydrophobicContact CG1-CZ 4.46Å; I302-F318 HydrophobicContact CG2-CB 3.8Å; I302-F318 HydrophobicContact CG2-CG 4.44Å; L306-F318 HydrophobicContact CD1-CD2 3.59Å; L306-F318 HydrophobicContact CD1-CE2 3.65Å; L306-F318 HydrophobicContact CD1-CG 4.32Å; L306-F318 HydrophobicContact CD1-CZ 4.44Å; L306-F318 HydrophobicContact CD2-CD1 4.08Å; L306-F318 HydrophobicContact CD2-CD2 3.92Å; L306-F318 HydrophobicContact CD2-CE1 3.74Å; L306-F318 HydrophobicContact CD2-CE2 3.56Å; L306-F318 HydrophobicContact CD2-CG 4.16Å; L306-F318 HydrophobicContact CD2-CZ 3.47Å; L306-F318 VanDerWaalsContact CD2-CZ 3.47Å; L306-F318 HydrophobicContact CG-CD2 4.34Å; L306-F318 HydrophobicContact CG-CE2 4.26Å; V311-F318 HydrophobicContact CG1-CZ 4.04Å; D313-F318 HydrophobicContact CB-CE2 3.59Å; D313-F318 HydrophobicContact CB-CZ 3.81Å; N314-F318 WeakPolarHBondContact O-CD2 3.19Å; P315-F318 PolarHBondContact O-N 2.65Å; Q316-F318 PolarHBondContact O-N 3.43Å
319A89.9Confident76.7Confident56 Ų5679.5 Ų79.546%0.46341%0.41SS..  trans-142.3143.9174.700000109.4F321A319-F321 HydrophobicContact CB-CD2 4.48Å; A319-F321 HydrophobicContact CB-CE2 3.73Å; A319-F321 HydrophobicContact CB-CZ 3.91Å
320L90.8Very high75.1Confident28 Ų2878.6 Ų78.615%0.14742%0.417CS..  trans-93.6133.3172.4-166.266.8000108.8V242 V298 V301 E335 V340V242-L320 HydrophobicContact CG1-CD1 3.77Å; V242-L320 HydrophobicContact CG2-CD1 4.46Å; V298-L320 HydrophobicContact CG1-CB 3.78Å; V301-L320 HydrophobicContact CG1-CD2 4.32Å; L320-E335 PolarHBondContact O-N 2.81Å; L320-V340 HydrophobicContact CD2-CG1 4.33Å; L320-V340 HydrophobicContact CD2-CG2 4.26Å
321F86.6Confident73.9Confident100 Ų10081.7 Ų81.744%0.43943%0.425SS..EExtended strand (participates in β ladder)trans-118.7130.2179.2-63.1-92.2000110.1A319 K333A319-F321 HydrophobicContact CB-CD2 4.48Å; A319-F321 HydrophobicContact CB-CE2 3.73Å; A319-F321 HydrophobicContact CB-CZ 3.91Å; F321-K333 VanDerWaalsContact CA-O 3.28Å; F321-K333 WeakPolarHBondContact CA-O 3.31Å
322K86.9Confident72.8Confident65 Ų6586.5 Ų86.528%0.28344%0.442SS..EExtended strand (participates in β ladder)trans-83.1121.1166.4-173.4171.2-179.8167.90108.7I324 K333 E335 P341K322-I324 HydrophobicContact CG-CG1 4.26Å; K322-K333 PolarHBondContact N-O 3.33Å; K322-K333 PolarHBondContact O-N 3.01Å; K322-E335 HydrophobicContact CB-CG 4.28Å; K322-E335 WeakPolarHBondContact CB-OE1 3.07Å; K322-P341 PolarHBondContact NZ-O 3.05Å
323R80.3Confident71.8Confident138 Ų13889.6 Ų89.652%0.52145%0.451SS..EExtended strand (participates in β ladder)trans-91.3120.8172.9-171179.6-176.3-178.5-0.2108.7H325R323-H325 PolarHBondContact NE-NE2 3.27Å
324I80.3Confident70.9Confident62 Ų6292.6 Ų92.632%0.31847%0.473SS..EExtended strand (participates in β ladder)trans-110.1119175.1-52.6173.2000106.8K322 K326 R331K322-I324 HydrophobicContact CG-CG1 4.26Å; I324-K326 HydrophobicContact CG2-CG 4.16Å; I324-K326 PolarHBondContact O-N 3.13Å; I324-R331 PolarHBondContact N-O 3.35Å; I324-R331 VanDerWaalsContact N-O 3.16Å; I324-R331 PolarHBondContact O-N 3.02Å
325H58.6Low70Confident138 Ų13893.3 Ų93.364%0.63948%0.476SS*.  trans-81.1105169.5-84.1-94.7000107.8R323R323-H325 PolarHBondContact NE-NE2 3.27Å
326K48.1Very low68.8Low146 Ų14694.4 Ų94.464%0.63548%0.483SS*.  trans-108.2140.1159.5-69.4-165.5171.1-165.20107I324 G328 Q329I324-K326 HydrophobicContact CG2-CG 4.16Å; I324-K326 PolarHBondContact O-N 3.13Å; K326-G328 PolarHBondContact O-N 3.36Å; K326-G328 VanDerWaalsContact O-N 3.14Å; K326-Q329 PolarHBondContact O-N 3.18Å; K326-Q329 VanDerWaalsContact O-N 3.12Å
327D46.3Very low67.5Low153 Ų15393.6 Ų93.682%0.81848%0.483SS*.THydrogen-bonded Turntrans-22.9102.2-173.2-50.8-55.9000114.7Q329D327-Q329 VanDerWaalsContact C-N 3.3Å; D327-Q329 PolarHBondContact O-N 3.13Å; D327-Q329 VanDerWaalsContact O-N 3.13Å
328G51.9Low66.2Low94 Ų9496 Ų9697%0.96950%0.496SS*.THydrogen-bonded Turntrans78.8-19.6171.900000117.7K326K326-G328 PolarHBondContact O-N 3.36Å; K326-G328 VanDerWaalsContact O-N 3.14Å
329Q45.1Very low64.7Low142 Ų14297.4 Ų97.466%0.66451%0.508SS*.  trans-133.599.8-179-156.51666000112.3K326 D327 R331K326-Q329 PolarHBondContact O-N 3.18Å; K326-Q329 VanDerWaalsContact O-N 3.12Å; D327-Q329 VanDerWaalsContact C-N 3.3Å; D327-Q329 PolarHBondContact O-N 3.13Å; D327-Q329 VanDerWaalsContact O-N 3.13Å; Q329-R331 PolarHBondContact O-N 3.08Å; Q329-R331 VanDerWaalsContact O-N 3.12Å
330G49.5Very low63.1Low39 Ų3995.4 Ų95.440%0.40249%0.49SS..  trans-66.2109.3-179.600000112.2
331R56Low61.4Low138 Ų13896.6 Ų96.652%0.52150%0.5SS..EExtended strand (participates in β ladder)trans-86.2135.4173.1-64.3-171.5-179.9-129.50.3109.9I324 Q329I324-R331 PolarHBondContact N-O 3.35Å; I324-R331 VanDerWaalsContact N-O 3.16Å; I324-R331 PolarHBondContact O-N 3.02Å; Q329-R331 PolarHBondContact O-N 3.08Å; Q329-R331 VanDerWaalsContact O-N 3.12Å
332R60.2Low60.2Low113 Ų11393.2 Ų93.243%0.42649%0.485SS..EExtended strand (participates in β ladder)trans-107128.5173.2-61.7-175.5-173.3-157.13.2108.6
333K64.9Low58.3Low118 Ų11893.3 Ų93.351%0.51349%0.488SS..EExtended strand (participates in β ladder)trans-111.2132.6170.4-68.8-173.9176.6-173.20108.6F321 K322F321-K333 VanDerWaalsContact CA-O 3.28Å; F321-K333 WeakPolarHBondContact CA-O 3.31Å; K322-K333 PolarHBondContact N-O 3.33Å; K322-K333 PolarHBondContact O-N 3.01Å
334S66.4Low56.4Low81 Ų8188.7 Ų88.757%0.56648%0.476SS*.EExtended strand (participates in β ladder)trans-72.7128.9170.150.80000108.6
335E64.3Low54.4Low37 Ų3790.6 Ų90.617%0.17349%0.49CS..  trans-84.1122172.7-62.3-62.2147.800108.3V298 L320 K322 P341V298-E335 HydrophobicContact CG2-CB 3.89Å; L320-E335 PolarHBondContact O-N 2.81Å; K322-E335 HydrophobicContact CB-CG 4.28Å; K322-E335 WeakPolarHBondContact CB-OE1 3.07Å; E335-P341 WeakPolarHBondContact OE2-CD 3.48Å; E335-P341 VanDerWaalsContact OE2-CG 3.26Å; E335-P341 WeakPolarHBondContact OE2-CG 3.37Å
336P60.1Low53.1Low67 Ų6788.9 Ų88.944%0.43549%0.494SS..  trans-65175.9171.727.8-32.7000110.8Q338P336-Q338 HydrophobicContact CB-CG 4.48Å; P336-Q338 HydrophobicContact CG-CG 3.97Å; P336-Q338 PolarHBondContact O-N 3.35Å
337N56.5Low52.2Low133 Ų13389.5 Ų89.571%0.71150%0.496SS*.SBendtrans-65.565.5173.2-91.1-14.5000111.8
338Q60.9Low51.3Low123 Ų12387.7 Ų87.758%0.57549%0.493SS*.SBendtrans-120.6170.8175.7-68.1-178.714.800108.8V298 P336 V340V298-Q338 WeakPolarHBondContact CG2-O 3.36Å; V298-Q338 PolarHBondContact N-O 3.31Å; V298-Q338 VanDerWaalsContact N-O 3.11Å; P336-Q338 HydrophobicContact CB-CG 4.48Å; P336-Q338 HydrophobicContact CG-CG 3.97Å; P336-Q338 PolarHBondContact O-N 3.35Å; Q338-V340 PolarHBondContact O-N 3.3Å
339T55.4Low50Low75 Ų7590 Ų9046%0.4649%0.489SS..BIsolated β-bridgetrans-55.5129.7168.1-15.60000108.4S294 P341S294-T339 WeakPolarHBondContact O-CG2 3.17Å; T339-P341 VanDerWaalsContact O-CD 3.31Å; T339-P341 WeakPolarHBondContact O-CD 3.37Å
340V55.4Low49.3Very low14 Ų1494.6 Ų94.69%0.08551%0.51CS..  trans-63.8124.6-175.11730000107.8T296 V298 V301 L320 Q338 F342T296-V340 PolarHBondContact O-N 3.27Å; V298-V340 HydrophobicContact CB-CG2 4.19Å; V298-V340 HydrophobicContact CG2-CB 4.43Å; V298-V340 HydrophobicContact CG2-CG2 3.57Å; V301-V340 HydrophobicContact CG2-CG2 4.03Å; L320-V340 HydrophobicContact CD2-CG1 4.33Å; L320-V340 HydrophobicContact CD2-CG2 4.26Å; Q338-V340 PolarHBondContact O-N 3.3Å; V340-F342 VanDerWaalsContact C-N 3.33Å; V340-F342 HydrophobicContact CB-CD1 3.62Å; V340-F342 HydrophobicContact CB-CE1 3.21Å; V340-F342 HydrophobicContact CB-CZ 3.84Å; V340-F342 HydrophobicContact CG1-CD1 3.3Å; V340-F342 HydrophobicContact CG1-CE1 3.46Å; V340-F342 VanDerWaalsContact CG1-CE1 3.46Å; V340-F342 HydrophobicContact CG1-CG 4.32Å; V340-F342 HydrophobicContact CG1-CZ 4.45Å; V340-F342 HydrophobicContact CG2-CE1 4.14Å; V340-F342 WeakPolarHBondContact O-CD1 3.28Å; V340-F342 VanDerWaalsContact O-CD2 3.24Å; V340-F342 WeakPolarHBondContact O-CD2 3.37Å; V340-F342 WeakPolarHBondContact O-CE1 3.48Å; V340-F342 WeakPolarHBondContact O-CE2 3.29Å; V340-F342 WeakPolarHBondContact O-CG 3.32Å; V340-F342 WeakPolarHBondContact O-CZ 3.45Å; V340-F342 PolarHBondContact O-N 3.14Å
341P54.8Low49.3Very low52 Ų5297.4 Ų97.434%0.33852%0.515SS..  trans-78.984.9-176.328.9-33000110.6K322 E335 T339K322-P341 PolarHBondContact NZ-O 3.05Å; E335-P341 WeakPolarHBondContact OE2-CD 3.48Å; E335-P341 VanDerWaalsContact OE2-CG 3.26Å; E335-P341 WeakPolarHBondContact OE2-CG 3.37Å; T339-P341 VanDerWaalsContact O-CD 3.31Å; T339-P341 WeakPolarHBondContact O-CD 3.37Å
342F62.9Low49Very low30 Ų3095.3 Ų95.313%0.13252%0.515CS..  trans-105.148170.132.5-120.1000110.9Y236 I240 I292 S293 V340Y236-F342 HydrophobicContact CE2-CD2 4.3Å; I240-F342 HydrophobicContact CG2-CB 4.04Å; I240-F342 HydrophobicContact CG2-CD1 4.01Å; I240-F342 HydrophobicContact CG2-CG 4.42Å; I292-F342 HydrophobicContact CB-CE1 4.39Å; I292-F342 HydrophobicContact CD1-CD1 3.22Å; I292-F342 HydrophobicContact CD1-CE1 3.07Å; I292-F342 HydrophobicContact CD1-CG 4.21Å; I292-F342 HydrophobicContact CD1-CZ 4.09Å; I292-F342 HydrophobicContact CG1-CD1 3.89Å; I292-F342 HydrophobicContact CG1-CE1 3.53Å; I292-F342 HydrophobicContact CG1-CZ 4.09Å; S293-F342 VanDerWaalsContact O-CE2 3.29Å; S293-F342 WeakPolarHBondContact O-CE2 3.31Å; S293-F342 WeakPolarHBondContact O-CZ 3.46Å; V340-F342 VanDerWaalsContact C-N 3.33Å; V340-F342 HydrophobicContact CB-CD1 3.62Å; V340-F342 HydrophobicContact CB-CE1 3.21Å; V340-F342 HydrophobicContact CB-CZ 3.84Å; V340-F342 HydrophobicContact CG1-CD1 3.3Å; V340-F342 HydrophobicContact CG1-CE1 3.46Å; V340-F342 VanDerWaalsContact CG1-CE1 3.46Å; V340-F342 HydrophobicContact CG1-CG 4.32Å; V340-F342 HydrophobicContact CG1-CZ 4.45Å; V340-F342 HydrophobicContact CG2-CE1 4.14Å; V340-F342 WeakPolarHBondContact O-CD1 3.28Å; V340-F342 VanDerWaalsContact O-CD2 3.24Å; V340-F342 WeakPolarHBondContact O-CD2 3.37Å; V340-F342 WeakPolarHBondContact O-CE1 3.48Å; V340-F342 WeakPolarHBondContact O-CE2 3.29Å; V340-F342 WeakPolarHBondContact O-CG 3.32Å; V340-F342 WeakPolarHBondContact O-CZ 3.45Å; V340-F342 PolarHBondContact O-N 3.14Å
343L46.7Very low48.3Very low67 Ų6794.3 Ų94.335%0.35152%0.52SS..SBendtrans-76138.8157.4-71.5170.9000108.3Y236 V345Y236-L343 WeakPolarHBondContact OH-CD2 3.35Å; L343-V345 PolarHBondContact O-N 2.86Å
344P40.3Very low47.4Very low41 Ų4192.9 Ų92.927%0.26652%0.52SS..  trans-60.1107.1174.224.2-31.5000108.2K214 Y218 S346K214-P344 HydrophobicContact CB-CG 4Å; Y218-P344 HydrophobicContact CD2-CB 4.18Å; P344-S346 PolarHBondContact O-N 2.91Å
345V39.2Very low46.2Very low101 Ų10193.6 Ų93.661%0.61252%0.517SS*.PPolyproline II helixtrans-72.9116.3169.6-175.50000105.6L343 K347L343-V345 PolarHBondContact O-N 2.86Å; V345-K347 PolarHBondContact O-N 3.25Å; V345-K347 VanDerWaalsContact O-N 3.1Å
346S30.7Very low45Very low102 Ų10297.4 Ų97.471%0.71354%0.54SS*.PPolyproline II helixtrans-50.8118.1167.2180000107.6P344P344-S346 PolarHBondContact O-N 2.91Å
347K29.2Very low43.9Very low159 Ų15999.6 Ų99.669%0.69155%0.547SS*.PPolyproline II helixtrans-58.3134.6167.3-79.3-174.3176.1-178.80106.6V345 T349V345-K347 PolarHBondContact O-N 3.25Å; V345-K347 VanDerWaalsContact O-N 3.1Å; K347-T349 PolarHBondContact O-N 2.97Å
348P26.6Very low42.9Very low116 Ų11697 Ų9775%0.75354%0.535SS*.PPolyproline II helixtrans-56.9126.1165.324.1-29.6000107.2H350P348-H350 PolarHBondContact O-N 3.42Å
349T25.9Very low41.4Very low142 Ų14294.8 Ų94.887%0.87153%0.532SS*.PPolyproline II helixtrans-58.2122.4167.539.60000107.6K347K347-T349 PolarHBondContact O-N 2.97Å
350H29.9Very low40.1Very low239 Ų23996.6 Ų96.6100%1.10654%0.538SS*.  trans-1240161.5-120.7-59.7000108.1P348P348-H350 PolarHBondContact O-N 3.42Å

Retrieved 350 of 350 residues in 134.1 ms (Link to these results)