A0A077ZJD4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJD4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, 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
1M37.6Very low26.6Very low225 Ų225155.7 Ų155.7100%1.10879%0.79SS**  078.90-58.8-161.4-169.500106.7
2D26.1Very low26.2Very low118 Ų118160.9 Ų160.963%0.63179%0.793SS**  59.2120.364.7-52.9-67.6000109.2
3Y31.4Very low25.9Very low208 Ų208154.9 Ų154.982%0.81678%0.775SS**  cis-141.1127.321.5-68.4-103000106.9
4R23.6Very low25.7Very low211 Ų211155.3 Ų155.380%0.79678%0.781SS**  59.9125.170.7-79.1-166.7179.3-176.52.2114.1
5T27.6Very low25.5Very low117 Ų117154.3 Ų154.372%0.71878%0.777SS**  trans72136134.646.70000118.4
6L25.5Very low25.3Very low164 Ų164148.7 Ų148.786%0.85976%0.761SS**  cis-156.4137.98.9-90.7135.8000104.4
7G24.8Very low25.1Very low54 Ų54150.4 Ų150.456%0.55777%0.772SS**  101.210075.100000107.6
8T26.5Very low24.9Very low127 Ų127146.8 Ų146.878%0.77976%0.763SS**  50.311396.259.40000112.8
9N24.7Very low24.7Very low146 Ų146147.2 Ų147.278%0.78177%0.765SS**  trans173.993.4136.2-81.3-20.3000105M11N9-M11 PolarHBondContact O-N 3.17Å
10E23.2Very low24.6Very low171 Ų171144.9 Ų144.980%0.79977%0.769SS**  25.391.494.4-74.6-162.3144.400112.2
11M22Very low24.5Very low172 Ų172143.9 Ų143.985%0.84777%0.768SS**  trans-126.282.8140.9-96.6-170.3-83.300108.1N9 C13N9-M11 PolarHBondContact O-N 3.17Å; M11-C13 PolarHBondContact O-N 3.42Å
12R21.9Very low23.8Very low218 Ų218136.3 Ų136.382%0.82375%0.748SS**  trans-52.5118.1137.3-77.1176.7161.5-178-4.1107.6
13C21.5Very low23.6Very low83 Ų83136.4 Ų136.456%0.56176%0.758SS**  trans-134.1108.5150.6-89.10000102.9M11 I15M11-C13 PolarHBondContact O-N 3.42Å; C13-I15 HydrophobicContact CB-CD1 4.11Å; C13-I15 HydrophobicContact CB-CG1 3.89Å; C13-I15 VanDerWaalsContact SG-CD1 3.59Å
14N23.1Very low23.2Very low160 Ų160129.7 Ų129.786%0.85675%0.752SS**  cis36.161.534.7-85.411.3000112.4
15I22.7Very low23.1Very low141 Ų141124.4 Ų124.472%0.72375%0.747SS**  trans-13098.3155.3-64.6177.7000107.8C13C13-I15 HydrophobicContact CB-CD1 4.11Å; C13-I15 HydrophobicContact CB-CG1 3.89Å; C13-I15 VanDerWaalsContact SG-CD1 3.59Å
16A22.1Very low22.8Very low64 Ų64126.3 Ų126.353%0.52975%0.752SS.*  trans62.5113141.200000118.8S18A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 WeakPolarHBondContact CB-OG 3.38Å
17N22.9Very low22.7Very low177 Ų177121.9 Ų121.995%0.94774%0.739SS**  cis23.261.229.4-78.90.9000113.7
18S20.8Very low22.6Very low86 Ų86126 Ų12660%0.60175%0.748SS**  trans-14293162.3-57.50000109.1A16A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 WeakPolarHBondContact CB-OG 3.38Å
19L21.5Very low22.6Very low155 Ų155127.5 Ų127.581%0.81275%0.751SS**  trans61.497.1130.5-65.8136.3000117.8
20A23Very low22.5Very low101 Ų101124.4 Ų124.484%0.83575%0.754SS**  -145.286.2119.500000108.2G22A20-G22 PolarHBondContact O-N 3.28Å
21T22.5Very low22.5Very low124 Ų124121.2 Ų121.276%0.76176%0.757SS**  trans-38.6117.115137.40000110.6
22G22.8Very low22.5Very low65 Ų65116.5 Ų116.567%0.6775%0.753SS**  trans-16267.6163.200000104.9A20A20-G22 PolarHBondContact O-N 3.28Å
23S22.4Very low22.6Very low121 Ų121112.8 Ų112.885%0.84675%0.749SS**  45.199.588.2-56.50000109.6
24G22.3Very low22.7Very low67 Ų67116.6 Ų116.669%0.69176%0.763SS**  trans149.748.8-172.300000110.9
25S21.2Very low22.7Very low99 Ų99117.3 Ų117.369%0.69276%0.759SS**  50.890.386.1171.50000108.9
26L22.2Very low22.8Very low158 Ų158116 Ų11683%0.82776%0.757SS**  93.1139107.1-86.8143.2000112.4
27A22.8Very low22.9Very low70 Ų70118.7 Ų118.758%0.57977%0.767SS**  trans90.3106.4141.400000116
28N24.1Very low23Very low141 Ų141116.3 Ų116.375%0.75476%0.755SS**  85107.4123-62.8-10.9000115.8
29N25.3Very low23.2Very low158 Ų158117.8 Ų117.885%0.84576%0.76SS**SBendtrans77.381.6141.6-56-23.2000115.9
30G23.4Very low23.6Very low82 Ų82117.6 Ų117.685%0.84575%0.748SS**SBend99.555.5127.800000118
31A22.5Very low23.7Very low104 Ų104118.4 Ų118.486%0.8674%0.735SS**  trans-172.37115800000110.6
32G22.5Very low23.9Very low73 Ų73117.3 Ų117.375%0.75373%0.73SS**  trans-99.598.6-176.300000112.4L34G32-L34 PolarHBondContact O-N 3.45Å
33N23.4Very low24.1Very low140 Ų140116.7 Ų116.775%0.74972%0.719SS**  trans-54.7106.2167.4-82.8-30.9000110.1F35N33-F35 VanDerWaalsContact C-N 3.28Å; N33-F35 HydrophobicContact CB-CD2 4.17Å; N33-F35 HydrophobicContact CB-CE2 3.98Å; N33-F35 WeakPolarHBondContact O-CD2 3.07Å; N33-F35 PolarHBondContact O-N 3.19Å
34L22.9Very low24.2Very low163 Ų163115.8 Ų115.885%0.85371%0.71SS**  trans-67.190.2165.9-98.3138.2000108.3G32 V36G32-L34 PolarHBondContact O-N 3.45Å; L34-V36 VanDerWaalsContact C-N 3.32Å; L34-V36 PolarHBondContact O-N 3.02Å
35F24.4Very low24.2Very low175 Ų175116.7 Ų116.777%0.76871%0.711SS**  trans-65.796.2162.2-78.9-87.8000107.9N33 T37N33-F35 VanDerWaalsContact C-N 3.28Å; N33-F35 HydrophobicContact CB-CD2 4.17Å; N33-F35 HydrophobicContact CB-CE2 3.98Å; N33-F35 WeakPolarHBondContact O-CD2 3.07Å; N33-F35 PolarHBondContact O-N 3.19Å; F35-T37 PolarHBondContact O-N 3.31Å
36V24Very low24.4Very low114 Ų114120.2 Ų120.269%0.69172%0.72SS**  trans-63.8105.8165.2-179.60000107L34 N38L34-V36 VanDerWaalsContact C-N 3.32Å; L34-V36 PolarHBondContact O-N 3.02Å; V36-N38 PolarHBondContact O-N 2.76Å
37T23.6Very low24.4Very low120 Ų120120.1 Ų120.174%0.73672%0.72SS**  trans-69.3110.5173.439.10000108.7F35 T39F35-T37 PolarHBondContact O-N 3.31Å; T37-T39 PolarHBondContact O-N 3.17Å
38N25.4Very low24.4Very low127 Ų127124.4 Ų124.468%0.67973%0.728SS**  trans-59.6110.6173.9-80.4-28.4000109.9V36 W40V36-N38 PolarHBondContact O-N 2.76Å; N38-W40 PolarHBondContact O-N 3.38Å
39T25.7Very low24.4Very low116 Ų116122.1 Ų122.171%0.71273%0.729SS**  trans-77.4109.5171.631.80000108.7T37T37-T39 PolarHBondContact O-N 3.17Å
40W28.7Very low24.3Very low151 Ų151119.6 Ų119.657%0.57272%0.722SS**PPolyproline II helixtrans-84.5121.9174.5-65.797.3000109.4N38 Y103N38-W40 PolarHBondContact O-N 3.38Å; W40-Y103 HydrophobicContact CB-CD1 3.69Å; W40-Y103 HydrophobicContact CB-CE1 3.76Å; W40-Y103 AromaticContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CE1 4.49Å; W40-Y103 HydrophobicContact CD2-CG 4.36Å; W40-Y103 VanDerWaalsContact CE3-CB 3.44Å; W40-Y103 AromaticContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CE1 4.5Å; W40-Y103 AromaticContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CG-CD1 4.07Å; W40-Y103 HydrophobicContact CG-CE1 4.25Å; W40-Y103 VanDerWaalsContact CZ3-CB 3.48Å; W40-Y103 HydrophobicContact CZ3-CD1 4.39Å; W40-Y103 HydrophobicContact CZ3-CG 4.06Å
41Q27.1Very low24.1Very low119 Ų119123.9 Ų123.956%0.55672%0.722SS**PPolyproline II helixtrans-102.6135.8169.4-78.9-171.4-33.400110.7M106Q41-M106 HydrophobicContact CB-CE 4.43Å; Q41-M106 HydrophobicContact CG-CE 4.02Å
42P25.7Very low24.3Very low100 Ų100125.7 Ų125.765%0.64972%0.717SS**BIsolated β-bridgetrans-66.2135.7173.225.4-30.3000110.7
43A25.9Very low24.3Very low53 Ų53132.6 Ų132.644%0.43872%0.722SS.*PPolyproline II helixtrans-69.4134.5172.600000110.4A102A43-A102 HydrophobicContact CB-CB 4.24Å; A43-A102 PolarHBondContact N-O 2.89Å
44P24.6Very low24.3Very low101 Ų101132.4 Ų132.466%0.65673%0.725SS**PPolyproline II helixtrans-64.5142.1179.424.1-31.2000111.6
45A24.1Very low24.3Very low86 Ų86131.9 Ų131.971%0.71172%0.718SS**PPolyproline II helixtrans-63.1148.1173.800000110.5N47 E48A45-N47 PolarHBondContact O-N 3.35Å; A45-E48 PolarHBondContact O-N 3.25Å
46I24.1Very low24.2Very low173 Ų173129.9 Ų129.989%0.88772%0.723SS**THydrogen-bonded Turntrans-61.37.1-160.6-66.3164.5000116
47N23Very low24.1Very low156 Ų156128.2 Ų128.283%0.83472%0.721SS**THydrogen-bonded Turntrans-107.54.6-179-72.2-14000115.8A45A45-N47 PolarHBondContact O-N 3.35Å
48E22.6Very low24.1Very low160 Ų160130.1 Ų130.175%0.74873%0.726SS**  trans-14074.2178.6-65.5-179-177.400111.1A45 P50A45-E48 PolarHBondContact O-N 3.25Å; E48-P50 WeakPolarHBondContact O-CD 3.43Å
49A23.2Very low24.1Very low94 Ų94130.3 Ų130.378%0.77773%0.727SS**  trans-81.5118.7164.600000108.6M51A49-M51 PolarHBondContact O-N 3.33Å
50P22.7Very low24Very low105 Ų105131.2 Ų131.268%0.68273%0.732SS**  trans-67.4122.7177.125.4-29.9000109.6E48 N52E48-P50 WeakPolarHBondContact O-CD 3.43Å; P50-N52 PolarHBondContact O-N 3.05Å
51M21.2Very low23.9Very low172 Ų172132 Ų13285%0.84774%0.742SS**  trans-63.498.5168.3-76-172.5179.700109.1A49 Y53A49-M51 PolarHBondContact O-N 3.33Å; M51-Y53 PolarHBondContact O-N 2.91Å
52N25.8Very low24Very low141 Ų141134.2 Ų134.275%0.75475%0.752SS**  trans-82.4102.7166.6-81.5-18.3000109P50 V54P50-N52 PolarHBondContact O-N 3.05Å; N52-V54 PolarHBondContact O-N 3.18Å
53Y21.4Very low24Very low218 Ų218138.2 Ų138.286%0.85576%0.762SS**  trans-54.7114.6162.9-89.9-101.3000109.4M51 H55M51-Y53 PolarHBondContact O-N 2.91Å; Y53-H55 PolarHBondContact O-N 3.47Å
54V24Very low24Very low136 Ų136142.5 Ų142.582%0.82478%0.778SS**  trans-84.1111.4170.2-177.90000107.8N52N52-V54 PolarHBondContact O-N 3.18Å
55H22.2Very low23.8Very low153 Ų153146.8 Ų146.871%0.70878%0.782SS**  trans-66.1133.9176.3-133.5-67.9000109.9Y53 A57Y53-H55 PolarHBondContact O-N 3.47Å; H55-A57 PolarHBondContact O-N 2.81Å
56P22.6Very low23.8Very low132 Ų132150.9 Ų150.986%0.85779%0.787SS**THydrogen-bonded Turntrans-74.816.2-169.8-13.428.9000116
57A22.9Very low23.7Very low80 Ų80149.8 Ų149.866%0.66179%0.788SS**THydrogen-bonded Turntrans-114.813.4-157.700000115.8H55H55-A57 PolarHBondContact O-N 2.81Å
58L23Very low23.8Very low159 Ų159148 Ų14883%0.83278%0.784SS**SBendtrans-114.5120.5-175.7-76.1162.2000112.9
59N25Very low23.8Very low131 Ų131146.6 Ų146.670%0.70179%0.787SS**  trans-53.7133.9-167.6-124.2-19.8000114Q61N59-Q61 PolarHBondContact O-N 2.84Å
60V24.6Very low23.8Very low136 Ų136147.2 Ų147.282%0.82479%0.793SS**THydrogen-bonded Turntrans-75.221.7-175.1-167.70000112.7
61Q25.9Very low23.7Very low166 Ų166152.6 Ų152.678%0.77680%0.801SS**THydrogen-bonded Turntrans-117.2-8.5-176.1-96.6-179.7-15.900115.5N59N59-Q61 PolarHBondContact O-N 2.84Å
62E28.8Very low23.8Very low167 Ų167155.4 Ų155.478%0.7880%0.802SS**SBendtrans-104.6-1-177.2-71.9-173.5155.200115.3N64E62-N64 PolarHBondContact O-N 3.45Å
63Q27Very low23.6Very low183 Ų183155.6 Ų155.686%0.85580%0.803SS**THydrogen-bonded Turntrans-82.7-3.5-179.1-78.2-174.5-16.400115.2
64N24.9Very low23.8Very low143 Ų143155.7 Ų155.777%0.76580%0.803SS**THydrogen-bonded Turntrans-95.38.2-172.8-80.6-23.9000115.8E62E62-N64 PolarHBondContact O-N 3.45Å
65Y21.8Very low23.7Very low192 Ų192157.1 Ų157.175%0.75380%0.801SS**  trans-138.697.3-179.4-75.6-91000110.2
66Q22.6Very low23.7Very low172 Ų172155.8 Ų155.880%0.80480%0.798SS**  trans16789149.2-91.815839.900111.9
67V23.2Very low23.7Very low150 Ų150156 Ų15691%0.90980%0.8SS**  trans-140.788.6153.2-171.60000110
68P23.9Very low23.7Very low117 Ų117157.3 Ų157.376%0.7680%0.8SS**  trans-98.3126.7159.28.611.7000110.6
69T23.4Very low23.8Very low131 Ų131156.7 Ų156.780%0.80480%0.798SS**  trans-41.7132.2170.931.60000115.7
70A22.6Very low23.7Very low108 Ų108155.2 Ų155.289%0.89380%0.798SS**  trans-102.8112.5160.300000110.1
71Y21.8Very low23.6Very low218 Ų218158.2 Ų158.286%0.85580%0.803SS**  trans-114.6150.7167-110-88.8000109.1
72R22.4Very low23.5Very low231 Ų231153.2 Ų153.287%0.87280%0.796SS**  trans92.2101.1174.5-65.8-172.5174.5-168.8-0.1117
73N22.7Very low23.3Very low144 Ų144156.5 Ų156.577%0.7780%0.803SS**  -173.6111.8113.9-95.5-22.1000107.2
74Y23.9Very low23.1Very low221 Ų221156.4 Ų156.487%0.86781%0.809SS**  trans-164.689.5143.5-93.2-66000108
75Q23.3Very low23.1Very low166 Ų166152.4 Ų152.478%0.77680%0.801SS**  trans-60.9131154.9-87.2168.9-37.700108.7
76I22.3Very low23.2Very low125 Ų125148.3 Ų148.364%0.64181%0.807SS**  trans5092.5130-47.7170.6000115.2T78I76-T78 HydrophobicContact CG2-CG2 4.04Å; I76-T78 WeakPolarHBondContact CG2-OG1 3.38Å
77C22.4Very low23.3Very low135 Ų135145.6 Ų145.691%0.91280%0.802SS**  trans-113.870.2142.4-72.90000108.1N79C77-N79 VanDerWaalsContact C-N 3.34Å; C77-N79 PolarHBondContact O-N 3.41Å
78T22.6Very low23.4Very low108 Ų108142.5 Ų142.566%0.66379%0.785SS**  trans-68.295.5154.544.60000107.2I76I76-T78 HydrophobicContact CG2-CG2 4.04Å; I76-T78 WeakPolarHBondContact CG2-OG1 3.38Å
79N23.8Very low23.5Very low147 Ų147145.1 Ų145.179%0.78679%0.785SS**  trans-166.9120.9148.9-95.7-20.9000109.5C77C77-N79 VanDerWaalsContact C-N 3.34Å; C77-N79 PolarHBondContact O-N 3.41Å
80S23.3Very low23.5Very low99 Ų99141 Ų14169%0.69276%0.759SS**SBendtrans28.4113.3146.555.70000117.9
81Q23.7Very low23.6Very low199 Ų199141 Ų14193%0.9375%0.75SS**SBendtrans64.177.8152.2-56.8-178.3-1600115.9
82G23.8Very low23.9Very low62 Ų62137.8 Ų137.864%0.63975%0.748SS**  trans160.8137.5162.600000113.4
83Y23.3Very low24Very low236 Ų236130 Ų13093%0.92573%0.729SS**  trans7777.5163.3-62.9-85.7000118.1G85Y83-G85 PolarHBondContact O-N 3.22Å
84N23.5Very low24.3Very low181 Ų181125 Ų12597%0.96871%0.705SS**  trans-71.6100.8149.1-77.3-32.7000109
85G24Very low24.4Very low59 Ų59118.9 Ų118.961%0.60869%0.69SS**  trans-178.756.1178.800000115.1Y83 V87Y83-G85 PolarHBondContact O-N 3.22Å; G85-V87 PolarHBondContact O-N 3.1Å; G85-V87 VanDerWaalsContact O-N 3.09Å
86A24.6Very low24.6Very low106 Ų106112.7 Ų112.788%0.87667%0.671SS**  trans-72.198.2166.100000109.1
87V24.9Very low24.8Very low114 Ų114112.7 Ų112.769%0.69167%0.673SS**PPolyproline II helixtrans-78.2125.4173.2-177.50000108.3G85 F89G85-V87 PolarHBondContact O-N 3.1Å; G85-V87 VanDerWaalsContact O-N 3.09Å; V87-F89 PolarHBondContact O-N 3.08Å
88P25.8Very low25.1Very low86 Ų86114.8 Ų114.856%0.55866%0.661SS**PPolyproline II helixtrans-66.6128.5175.524.8-30000110.2V90P88-V90 PolarHBondContact O-N 2.97Å
89F24.7Very low25.3Very low172 Ų172116.5 Ų116.575%0.75467%0.666SS**PPolyproline II helixtrans-62.6124.1174.7-91.1-104.6000110.4V87V87-F89 PolarHBondContact O-N 3.08Å
90V24.2Very low25.4Very low45 Ų45115 Ų11527%0.27367%0.667SS.*  trans-105.1125.2167.7178.40000107.2P88 N92 S93P88-V90 PolarHBondContact O-N 2.97Å; V90-N92 PolarHBondContact O-N 3.43Å; V90-S93 VanDerWaalsContact CB-OG 3.23Å; V90-S93 WeakPolarHBondContact CB-OG 3.31Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-S93 VanDerWaalsContact O-N 3.1Å
91P24.1Very low25.5Very low108 Ų108113 Ų11370%0.70165%0.651SS**THydrogen-bonded Turntrans-58.6131174.8-14.727.8000109.2S93P91-S93 PolarHBondContact O-N 3.39Å
92N27.8Very low25.7Very low150 Ų150105.3 Ų105.380%0.80262%0.621SS**THydrogen-bonded Turntrans71.91-172.5-67.6-19.1000118.4V90V90-N92 PolarHBondContact O-N 3.43Å
93S25.6Very low26Very low68 Ų68105.4 Ų105.448%0.47660%0.603SS.*THydrogen-bonded Turntrans-122.98.6-175.6117.60000115.6V90 P91 V95V90-S93 VanDerWaalsContact CB-OG 3.23Å; V90-S93 WeakPolarHBondContact CB-OG 3.31Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-S93 VanDerWaalsContact O-N 3.1Å; P91-S93 PolarHBondContact O-N 3.39Å; S93-V95 VanDerWaalsContact C-N 3.29Å; S93-V95 PolarHBondContact O-N 2.94Å
94S29.2Very low26.2Very low38 Ų38101.6 Ų101.627%0.26659%0.587SS.*  trans-75.980.4179.634.90000111.5
95V26.2Very low26.4Very low92 Ų9295.8 Ų95.856%0.55856%0.564SS**EExtended strand (participates in β ladder)trans-83.899.7157.9-177.20000107.4S93 A102 Y103S93-V95 VanDerWaalsContact C-N 3.29Å; S93-V95 PolarHBondContact O-N 2.94Å; V95-A102 HydrophobicContact CG1-CB 3.31Å; V95-Y103 CarbonylContact C-O 3.54Å; V95-Y103 VanDerWaalsContact CA-O 3.27Å; V95-Y103 WeakPolarHBondContact CA-O 3.42Å
96G27.4Very low26.5Very low36 Ų3697.7 Ų97.737%0.37156%0.558SS.*EExtended strand (participates in β ladder)trans-76.2125.5169.900000109.2Y103G96-Y103 PolarHBondContact N-O 3.28Å; G96-Y103 PolarHBondContact O-N 3.14Å
97N26.8Very low26.7Very low126 Ų12698.2 Ų98.267%0.67455%0.552SS**EExtended strand (participates in β ladder)trans-93.6113.9171.4-168.1-17.8000108.8S100 V101N97-S100 VanDerWaalsContact OD1-CA 3.23Å; N97-S100 WeakPolarHBondContact OD1-CA 3.23Å; N97-S100 PolarHBondContact OD1-N 2.95Å; N97-S100 VanDerWaalsContact OD1-N 3.16Å; N97-V101 WeakPolarHBondContact CA-O 3.43Å
98R27.7Very low26.8Very low179 Ų17998 Ų9868%0.67555%0.554SS**EExtended strand (participates in β ladder)trans-127.8125.3170.4-165.8-176.6-172.4-165.22.1107.3S100 V101 Y103R98-S100 VanDerWaalsContact C-N 3.28Å; R98-S100 PolarHBondContact O-N 3.25Å; R98-V101 PolarHBondContact N-O 2.69Å; R98-V101 VanDerWaalsContact N-O 3.08Å; R98-V101 PolarHBondContact O-N 2.8Å; R98-Y103 HydrophobicContact CB-CD2 4.17Å; R98-Y103 HydrophobicContact CB-CE2 3.9Å
99N25.9Very low26.7Very low144 Ų144105.4 Ų105.477%0.7757%0.57SS**THydrogen-bonded Turntrans52.540.9-179.6-58-14.5000113.9V101N99-V101 PolarHBondContact O-N 2.57Å
100S26.1Very low26.8Very low115 Ų115105.9 Ų105.980%0.80458%0.575SS**THydrogen-bonded Turntrans66.414.3-177.3-48.50000114.8N97 R98N97-S100 VanDerWaalsContact OD1-CA 3.23Å; N97-S100 WeakPolarHBondContact OD1-CA 3.23Å; N97-S100 PolarHBondContact OD1-N 2.95Å; N97-S100 VanDerWaalsContact OD1-N 3.16Å; R98-S100 VanDerWaalsContact C-N 3.28Å; R98-S100 PolarHBondContact O-N 3.25Å
101V25.3Very low26.8Very low57 Ų57111 Ų11135%0.34560%0.596SS.*EExtended strand (participates in β ladder)trans-109.7127.5175.3-177.20000109.6N97 R98 N99 Y103N97-V101 WeakPolarHBondContact CA-O 3.43Å; R98-V101 PolarHBondContact N-O 2.69Å; R98-V101 VanDerWaalsContact N-O 3.08Å; R98-V101 PolarHBondContact O-N 2.8Å; N99-V101 PolarHBondContact O-N 2.57Å; V101-Y103 HydrophobicContact CB-CD2 4.43Å; V101-Y103 HydrophobicContact CB-CE2 3.74Å; V101-Y103 HydrophobicContact CG1-CD2 4.3Å; V101-Y103 HydrophobicContact CG1-CE1 4.22Å; V101-Y103 HydrophobicContact CG1-CE2 3.77Å; V101-Y103 VanDerWaalsContact O-CD2 3.27Å; V101-Y103 WeakPolarHBondContact O-CD2 3.29Å
102A29.2Very low26.8Very low38 Ų38113.7 Ų113.731%0.31460%0.604SS.*EExtended strand (participates in β ladder)trans-81.1120.2175.100000110.3A43 V95A43-A102 HydrophobicContact CB-CB 4.24Å; A43-A102 PolarHBondContact N-O 2.89Å; V95-A102 HydrophobicContact CG1-CB 3.31Å
103Y29.1Very low26.6Very low63 Ų63115.2 Ų115.225%0.24760%0.604CS.*EExtended strand (participates in β ladder)trans-113.7126.9179.8-72-77.7000111.4W40 V95 G96 R98 V101W40-Y103 HydrophobicContact CB-CD1 3.69Å; W40-Y103 HydrophobicContact CB-CE1 3.76Å; W40-Y103 AromaticContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CE1 4.49Å; W40-Y103 HydrophobicContact CD2-CG 4.36Å; W40-Y103 VanDerWaalsContact CE3-CB 3.44Å; W40-Y103 AromaticContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CE1 4.5Å; W40-Y103 AromaticContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CG-CD1 4.07Å; W40-Y103 HydrophobicContact CG-CE1 4.25Å; W40-Y103 VanDerWaalsContact CZ3-CB 3.48Å; W40-Y103 HydrophobicContact CZ3-CD1 4.39Å; W40-Y103 HydrophobicContact CZ3-CG 4.06Å; V95-Y103 CarbonylContact C-O 3.54Å; V95-Y103 VanDerWaalsContact CA-O 3.27Å; V95-Y103 WeakPolarHBondContact CA-O 3.42Å; G96-Y103 PolarHBondContact N-O 3.28Å; G96-Y103 PolarHBondContact O-N 3.14Å; R98-Y103 HydrophobicContact CB-CD2 4.17Å; R98-Y103 HydrophobicContact CB-CE2 3.9Å; V101-Y103 HydrophobicContact CB-CD2 4.43Å; V101-Y103 HydrophobicContact CB-CE2 3.74Å; V101-Y103 HydrophobicContact CG1-CD2 4.3Å; V101-Y103 HydrophobicContact CG1-CE1 4.22Å; V101-Y103 HydrophobicContact CG1-CE2 3.77Å; V101-Y103 VanDerWaalsContact O-CD2 3.27Å; V101-Y103 WeakPolarHBondContact O-CD2 3.29Å
104R27.7Very low26.5Very low157 Ų157117.6 Ų117.659%0.59262%0.621SS**EExtended strand (participates in β ladder)trans-94.2133175.9-165.9-179.1-166-159.73.5110.5M106R104-M106 PolarHBondContact O-N 3.09Å
105A27.8Very low26.1Very low58 Ų58119.4 Ų119.448%0.47965%0.646SS.*PPolyproline II helixtrans-71.2123.8166.500000109.8
106M27.3Very low26Very low100 Ų100119.8 Ų119.849%0.49365%0.652SS.*PPolyproline II helixtrans-99.5139.9168.5-71.3-151.1-82.200109.8Q41 R104Q41-M106 HydrophobicContact CB-CE 4.43Å; Q41-M106 HydrophobicContact CG-CE 4.02Å; R104-M106 PolarHBondContact O-N 3.09Å
107P27Very low25.7Very low116 Ų116129.9 Ų129.975%0.75368%0.679SS**PPolyproline II helixtrans-62.3142.7170.526.2-31.5000109.6
108P27.6Very low25.4Very low111 Ų111135.1 Ų135.172%0.72169%0.69SS**PPolyproline II helixtrans-59.8146.4173.725.2-32.2000110.2Q110P108-Q110 PolarHBondContact O-N 3.29Å
109R25Very low25.1Very low241 Ų241130.9 Ų130.991%0.90969%0.688SS**PPolyproline II helixtrans-56.7128.2172.4-77-173.4173.9-169.7-1.7108.7E111R109-E111 PolarHBondContact O-N 3.46Å
110Q26.3Very low24.9Very low182 Ų182132.3 Ų132.385%0.8569%0.689SS**  trans-63.5102.6171.9-86.3179.6-13.300108.9P108P108-Q110 PolarHBondContact O-N 3.29Å
111E24.3Very low24.7Very low151 Ų151130.7 Ų130.771%0.70668%0.683SS**  trans-87.3136.4156.9-73.7-179.1172.600108.2R109 F113R109-E111 PolarHBondContact O-N 3.46Å; E111-F113 HydrophobicContact CB-CD2 4.4Å; E111-F113 HydrophobicContact CB-CE2 3.95Å; E111-F113 VanDerWaalsContact O-CD2 3.27Å; E111-F113 WeakPolarHBondContact O-CD2 3.38Å; E111-F113 PolarHBondContact O-N 2.91Å
112N23Very low24.6Very low166 Ų166134.8 Ų134.889%0.88871%0.708SS**  trans-58.5102.7-174.8-67.1-42.9000111.6
113F24.7Very low24.3Very low182 Ų182143.5 Ų143.580%0.79873%0.733SS**  trans-116.3110.3169.8-74.9-77.3000111.1E111E111-F113 HydrophobicContact CB-CD2 4.4Å; E111-F113 HydrophobicContact CB-CE2 3.95Å; E111-F113 VanDerWaalsContact O-CD2 3.27Å; E111-F113 WeakPolarHBondContact O-CD2 3.38Å; E111-F113 PolarHBondContact O-N 2.91Å
114S22.6Very low24Very low117 Ų117149.6 Ų149.682%0.81876%0.761SS**  trans-64.6157.8173.2500000111.9
115G21.7Very low23.8Very low77 Ų77147.6 Ų147.679%0.79477%0.769SS**  trans-56147.9-157.100000117.9
116S22.5Very low23.5Very low99 Ų99150.4 Ų150.469%0.69278%0.782SS**  trans173.153.4155.546.50000112.9
117W22.5Very low23.4Very low248 Ų248157.9 Ų157.994%0.93980%0.804SS**  trans-136.973.8169.8-73.789.4000112.1
118R19.7Very low23Very low237 Ų237155.7 Ų155.789%0.89480%0.796SS**  trans-100.3141.2155.6-76.1-174.5174-144.1-0.6108
119S21.2Very low22.8Very low90 Ų90158.1 Ų158.163%0.62980%0.803SS**  trans75.1120.8167.975.40000117.8
120H22.9Very low22.7Very low173 Ų173153.1 Ų153.180%0.80180%0.799SS**  175.4113.1121.9-81.4-58.8000109.5T122H120-T122 PolarHBondContact O-N 2.5Å
121A21.1Very low22.4Very low82 Ų82155.9 Ų155.968%0.67880%0.802SS**  trans-63.2128.1170.700000109.3W123A121-W123 PolarHBondContact O-N 3.02Å
122T24.3Very low22.4Very low142 Ų142155.9 Ų155.987%0.87181%0.806SS**  trans-86.2100.4172.9-41.70000108.5H120H120-T122 PolarHBondContact O-N 2.5Å
123W21.7Very low22.3Very low222 Ų222152.6 Ų152.684%0.84179%0.794SS**PPolyproline II helixtrans-65.6136.3175.7-76.456.7000110.7A121A121-W123 PolarHBondContact O-N 3.02Å
124F23Very low22.2Very low191 Ų191149.2 Ų149.284%0.83879%0.788SS**PPolyproline II helixtrans-53.8139162.6-73.6-90.1000109P126F124-P126 WeakPolarHBondContact O-CD 3.46Å; F124-P126 VanDerWaalsContact O-N 3.15Å
125P22.8Very low22.3Very low115 Ų115152.8 Ų152.875%0.74779%0.789SS**PPolyproline II helixtrans-60124.1173.223.9-30.4000108.3R127P125-R127 PolarHBondContact O-N 3.46Å
126P22.4Very low22.3Very low116 Ų116158.1 Ų158.175%0.75379%0.791SS**PPolyproline II helixtrans-59.7137.7177.923.2-30.4000108.9F124 A128F124-P126 WeakPolarHBondContact O-CD 3.46Å; F124-P126 VanDerWaalsContact O-N 3.15Å; P126-A128 PolarHBondContact O-N 3.15Å
127R24.2Very low22.3Very low257 Ų257157 Ų15797%0.9779%0.794SS**SBendtrans-57.893.8177-73.9179.6172.1172.4-0.2110P125P125-R127 PolarHBondContact O-N 3.46Å
128A20.4Very low22.3Very low70 Ų70156.9 Ų156.958%0.57979%0.794SS**  trans-143.5114.4167.200000109.6P126P126-A128 PolarHBondContact O-N 3.15Å
129N22.4Very low22.6Very low162 Ų162155.4 Ų155.487%0.86680%0.797SS**  trans67.735.3153.9-59.2-24.6000120.8R131N129-R131 PolarHBondContact O-N 3.09Å
130V22.7Very low22.7Very low137 Ų137155.6 Ų155.683%0.8380%0.804SS**  trans-87.993.2160.7-172.60000109.7L132V130-L132 PolarHBondContact O-N 2.92Å
131R21Very low23Very low239 Ų239152.6 Ų152.690%0.90280%0.8SS**  trans-64.2111.2165.7-72-179.6174.4-177.6-1.7108.2N129N129-R131 PolarHBondContact O-N 3.09Å
132L22.8Very low23.1Very low151 Ų151153.8 Ų153.879%0.79181%0.81SS**  trans-65.6127.1167.5-81156.6000108.5V130 V134V130-L132 PolarHBondContact O-N 2.92Å; L132-V134 PolarHBondContact O-N 2.94Å
133P22.7Very low23Very low98 Ų98154.6 Ų154.664%0.63680%0.801SS**  trans-65.1120.9176.925.4-30.3000109.2F135P133-F135 HydrophobicContact CB-CD2 4.19Å; P133-F135 HydrophobicContact CB-CE2 3.96Å; P133-F135 HydrophobicContact CG-CD2 4.45Å; P133-F135 HydrophobicContact CG-CE2 4.19Å; P133-F135 PolarHBondContact O-N 2.89Å
134V21.1Very low23.2Very low111 Ų111151.7 Ų151.767%0.67380%0.802SS**  trans-67.1102.5167.8-178.60000107.5L132 F136L132-V134 PolarHBondContact O-N 2.94Å; V134-F136 HydrophobicContact CB-CD2 4.5Å; V134-F136 HydrophobicContact CG1-CD2 3.23Å; V134-F136 HydrophobicContact CG1-CE2 3.23Å; V134-F136 HydrophobicContact CG1-CG 4.17Å; V134-F136 HydrophobicContact CG1-CZ 4.15Å
135F24.6Very low23.1Very low191 Ų191152 Ų15284%0.83880%0.799SS**  trans-94.691.4162.8-81.6-82.2000109P133P133-F135 HydrophobicContact CB-CD2 4.19Å; P133-F135 HydrophobicContact CB-CE2 3.96Å; P133-F135 HydrophobicContact CG-CD2 4.45Å; P133-F135 HydrophobicContact CG-CE2 4.19Å; P133-F135 PolarHBondContact O-N 2.89Å
136F21.7Very low23Very low190 Ų190150.4 Ų150.483%0.83380%0.796SS**  trans-67.7135.9151.2-74.4-80.7000108.3V134V134-F136 HydrophobicContact CB-CD2 4.5Å; V134-F136 HydrophobicContact CG1-CD2 3.23Å; V134-F136 HydrophobicContact CG1-CE2 3.23Å; V134-F136 HydrophobicContact CG1-CG 4.17Å; V134-F136 HydrophobicContact CG1-CZ 4.15Å
137G22.3Very low22.9Very low75 Ų75154 Ų15477%0.77380%0.796SS**  trans161.976.4170.100000116.1
138R23.2Very low22.8Very low246 Ų246147.9 Ų147.993%0.92878%0.782SS**  trans9.5117.1150.7-65.2175.1175.2-179.2-2.1118.6
139E25.3Very low22.9Very low205 Ų205154.8 Ų154.896%0.95880%0.795SS**  trans-149.2132.4131-108.3177.7-166.600109.2
140A23.8Very low22.9Very low94 Ų94150.4 Ų150.478%0.77779%0.788SS**  trans-145.1167.4-178.900000107.8
141P30.3Very low23Very low111 Ų111150.8 Ų150.872%0.72179%0.791SS**  cis-133.5161.8-25.532.4-14.4000112.6
142A22.6Very low23Very low106 Ų106144.3 Ų144.388%0.87679%0.789SS**  trans-114.5108.9150.500000108.7
143K22.7Very low23Very low159 Ų159143.8 Ų143.869%0.69179%0.791SS**  trans-54.3133-175.8-64.4166.1176.2174.70111.7
144N24.7Very low23Very low161 Ų161147.9 Ų147.986%0.86180%0.799SS**  -173.7126.6113.8-83.8-27.3000110.5
145Y21.9Very low23.1Very low197 Ų197150.7 Ų150.777%0.77381%0.81SS**  trans-76.2153-167.4-69.3-105.8000113.5
146A21.2Very low22.9Very low83 Ų83148.8 Ų148.869%0.68680%0.803SS**  177128.2116.700000111.8
147Y20.4Very low22.9Very low190 Ų190145.7 Ų145.775%0.74580%0.802SS**  trans-83.3171.7174.3-67-117.4000110.6
148N21.9Very low22.9Very low129 Ų129148.1 Ų148.169%0.6980%0.802SS**  175.3140.858.6-103.5-22.2000110.7
149Y21.3Very low22.7Very low215 Ų215144.2 Ų144.284%0.84380%0.8SS**  trans39.9144.7138.4-62.4-93.7000127.9
150G22.4Very low22.6Very low71 Ų71140.7 Ų140.773%0.73279%0.792SS**  trans93.2133.5149.800000115.3
151T24.9Very low22.4Very low144 Ų144140.1 Ų140.188%0.88379%0.788SS**  cis-165.4154.420.132.10000109.4
152A20.5Very low22Very low104 Ų104142.3 Ų142.386%0.8679%0.791SS**  trans-76.6143.6-176.800000114.2
153V23.2Very low21.9Very low139 Ų139143 Ų14384%0.84279%0.79SS**  trans-131.1134.4165.4-176.20000110.7
154K23.3Very low21.8Very low185 Ų185140 Ų14080%0.80479%0.789SS**PPolyproline II helixtrans-62.2134-175.7-168.7179.3-179.7-1710112.3
155L22.5Very low21.8Very low169 Ų169138.5 Ų138.589%0.88579%0.788SS**PPolyproline II helixtrans-98.1118.7169.3-96.7147.2000108.7
156E21.2Very low21.8Very low151 Ų151134.2 Ų134.271%0.70679%0.787SS**PPolyproline II helixtrans-81.8143.3160.1-76-154.5149.200110.1
157P22.2Very low21.9Very low126 Ų126137.4 Ų137.482%0.81880%0.797SS**PPolyproline II helixtrans-83.6129.8172.133-27.3000109.3
158T22.2Very low22Very low126 Ų126135 Ų13577%0.77380%0.797SS**  trans-122.5107.9170.3-32.40000108.6
159D19.3Very low21.9Very low163 Ų163135.3 Ų135.387%0.87280%0.798SS**  trans-65.6125.4164.8-80.5-43.9000109.9
160V22Very low22Very low131 Ų131132 Ų13279%0.79479%0.794SS**  trans-150.7107.4154-173.40000111.5
161A20Very low21.9Very low83 Ų83139.5 Ų139.569%0.68680%0.801SS**  trans26.2122.4139.200000123
162I20.8Very low21.9Very low156 Ų156139.3 Ų139.380%0.880%0.8SS**  26.9117.4122.4-47.9168.6000117.7
163S20.6Very low22Very low120 Ų120141.3 Ų141.384%0.83980%0.796SS**  trans-141.4112.1140.160.30000110.1
164S21.1Very low22Very low98 Ų98143.4 Ų143.469%0.68580%0.796SS**PPolyproline II helixtrans-93.2136168.5-26.10000108.1
165P24.3Very low22Very low129 Ų129138.5 Ų138.584%0.83879%0.79SS**PPolyproline II helixtrans-96.9116.2156.224-11.4000109.9
166S21.9Very low22Very low106 Ų106138 Ų13874%0.74179%0.789SS**PPolyproline II helixtrans-68131168-42.20000110.8
167V24.4Very low22.1Very low150 Ų150136.5 Ų136.591%0.90980%0.795SS**  trans-149.1130.1143.2-174.70000109.8
168L21.4Very low22.1Very low139 Ų139137.2 Ų137.273%0.72880%0.797SS**  trans-82.2150.9-172-80.1150.6000113.9
169L21.4Very low22.1Very low136 Ų136142.2 Ų142.271%0.71280%0.802SS**  trans63.5132.9134.6-62.1170.7000118.3
170N23.1Very low22.2Very low145 Ų145140.6 Ų140.678%0.77580%0.798SS**  -165.615050.9-100.6-36.5000111.8
171R20.5Very low22.2Very low229 Ų229138.8 Ų138.886%0.86480%0.797SS**  trans-59146.7157.1-73.1174.2164168.8-6110.6
172T24.8Very low22.2Very low141 Ų141143.4 Ų143.487%0.86581%0.809SS**  -168.1133.6129.417.20000111
173D22.3Very low22.3Very low146 Ų146138.6 Ų138.678%0.78180%0.798SS**  trans-63.1174.7170.3-63.5-68000113.3
174E23.7Very low22.4Very low182 Ų182138.8 Ų138.885%0.8580%0.799SS**  trans86107.2157.3-67.3-174.615700119.3
175A22.2Very low22.5Very low82 Ų82139.7 Ų139.768%0.67881%0.806SS**  53.3128.9117.800000119.6
176N22.7Very low22.5Very low160 Ų160142.2 Ų142.286%0.85681%0.806SS**  trans67.289.2154.1-61.7-20.7000117.1
177S23.5Very low22.6Very low119 Ų119142.8 Ų142.883%0.83281%0.805SS**  -171.3116.7128.7-160.60000112.2R179S177-R179 PolarHBondContact O-N 2.78Å
178T22.1Very low22.6Very low140 Ų140138.3 Ų138.386%0.85979%0.79SS**  trans-72109.6163.414.80000109.8
179R22.2Very low22.7Very low231 Ų231136.4 Ų136.487%0.87278%0.78SS**  trans-175.7118.7146.8-114.2172.1162.5-174.3-5.2112.4S177S177-R179 PolarHBondContact O-N 2.78Å
180T21.2Very low22.9Very low129 Ų129138.2 Ų138.279%0.79179%0.789SS**  trans41.298.2142.2-310000117.9
181A21.7Very low23.1Very low94 Ų94136.1 Ų136.178%0.77779%0.786SS**  trans-134.510915200000109.2G183A181-G183 PolarHBondContact O-N 2.78Å
182L20.8Very low23.3Very low179 Ų179131.6 Ų131.694%0.93778%0.779SS**  trans-58.789.8147.5-91.694.6000106.2
183G21.9Very low23.4Very low55 Ų55135.4 Ų135.457%0.56778%0.778SS**  trans-11193.6-176.100000109.6A181 S185A181-G183 PolarHBondContact O-N 2.78Å; G183-S185 PolarHBondContact O-N 3.14Å
184S22.6Very low23.6Very low124 Ų124132.2 Ų132.287%0.86777%0.767SS**  trans-40.2101157.350.70000111.1
185S23.9Very low23.7Very low117 Ų117132.2 Ų132.282%0.81877%0.772SS**  trans-112.8110.8166-155.30000107.9G183 V187G183-S185 PolarHBondContact O-N 3.14Å; S185-V187 PolarHBondContact O-N 2.99Å
186Q23.6Very low24Very low182 Ų182136 Ų13685%0.8578%0.78SS**  trans-45.8114.1-167.6-70.7158.8-24.800111.8G188Q186-G188 VanDerWaalsContact C-N 3.31Å; Q186-G188 PolarHBondContact O-N 2.79Å
187V24.3Very low24.2Very low118 Ų118131.3 Ų131.372%0.71576%0.761SS**  trans-54.3107.1147.3-170.30000104.6S185 N189S185-V187 PolarHBondContact O-N 2.99Å; V187-N189 PolarHBondContact O-N 3.29Å
188G24.8Very low24.3Very low57 Ų57135.3 Ų135.359%0.58876%0.763SS**  trans-46111.3176.300000108Q186 L190Q186-G188 VanDerWaalsContact C-N 3.31Å; Q186-G188 PolarHBondContact O-N 2.79Å; G188-L190 PolarHBondContact O-N 2.81Å
189N23.9Very low24.6Very low99 Ų99134.1 Ų134.153%0.52976%0.758SS.*  trans-63.582.7-173.4-169.4-6.5000108.5V187 S191V187-N189 PolarHBondContact O-N 3.29Å; N189-S191 PolarHBondContact O-N 3.48Å; N189-S191 VanDerWaalsContact O-N 3.09Å; N189-S191 WeakPolarHBondContact OD1-CA 3.38Å; N189-S191 VanDerWaalsContact OD1-CB 3.31Å; N189-S191 WeakPolarHBondContact OD1-CB 2.9Å; N189-S191 PolarHBondContact OD1-N 2.8Å; N189-S191 PolarHBondContact OD1-OG 2.8Å
190L25.8Very low24.9Very low173 Ų173132.2 Ų132.291%0.90676%0.756SS**THydrogen-bonded Turntrans-68.12.4169.2-72.6173.6000111.5G188G188-L190 PolarHBondContact O-N 2.81Å
191S25.7Very low25.1Very low101 Ų101133.5 Ų133.571%0.70676%0.758SS**THydrogen-bonded Turntrans-98.619.8178.727.10000114.8N189N189-S191 PolarHBondContact O-N 3.48Å; N189-S191 VanDerWaalsContact O-N 3.09Å; N189-S191 WeakPolarHBondContact OD1-CA 3.38Å; N189-S191 VanDerWaalsContact OD1-CB 3.31Å; N189-S191 WeakPolarHBondContact OD1-CB 2.9Å; N189-S191 PolarHBondContact OD1-N 2.8Å; N189-S191 PolarHBondContact OD1-OG 2.8Å
192N25.6Very low25.3Very low135 Ų135138.7 Ų138.772%0.72276%0.759SS**  trans-130.233.8175.1-124.51.6000115.6S194N192-S194 PolarHBondContact O-N 3.36Å
193R27.8Very low25.8Very low220 Ų220132.3 Ų132.383%0.8374%0.736SS**SBendtrans-80.8107.2163.2-147.7176.9-161.5-172.64.6108.1L195R193-L195 PolarHBondContact O-N 3.32Å
194S24.9Very low26.7Very low79 Ų79132.3 Ų132.355%0.55273%0.731SS**  trans-28.5122.5-178.166.90000113.5N192 N196 S197N192-S194 PolarHBondContact O-N 3.36Å; S194-N196 PolarHBondContact O-N 3.17Å; S194-S197 PolarHBondContact O-N 2.89Å
195L26.8Very low27.9Very low182 Ų182134.7 Ų134.795%0.95373%0.726SS**THydrogen-bonded Turntrans-57.910.6178.4-78.8155.3000115.6R193R193-L195 PolarHBondContact O-N 3.32Å
196N28Very low29.2Very low161 Ų161133.9 Ų133.986%0.86171%0.705SS**THydrogen-bonded Turntrans-112.92.9178.5-79.2-18.3000114.8S194S194-N196 PolarHBondContact O-N 3.17Å
197S26.6Very low30.8Very low63 Ų63125.3 Ų125.344%0.44167%0.666SS.*SBendtrans-97.9114.9171.665.90000110.8S194 P199S194-S197 PolarHBondContact O-N 2.89Å; S197-P199 WeakPolarHBondContact O-CD 3.45Å
198K26.8Very low32.4Very low202 Ų202121.7 Ų121.788%0.87865%0.646SS**  trans-49.4115.9170.8-73-178.5178.8177.90109K200K198-K200 PolarHBondContact O-N 3.5Å
199P27.9Very low33.8Very low116 Ų116123.6 Ų123.675%0.75364%0.642SS**  trans-67.5112.2-174.624.9-31000109.1S197 N201S197-P199 WeakPolarHBondContact O-CD 3.45Å; P199-N201 VanDerWaalsContact C-N 3.27Å; P199-N201 PolarHBondContact O-N 3.46Å
200K27.8Very low35.4Very low190 Ų190119.6 Ų119.683%0.82662%0.622SS**  trans-66.793.2162.4-80.8-176.1177.4177.90107.6K198 Y202K198-K200 PolarHBondContact O-N 3.5Å; K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 WeakPolarHBondContact O-CD2 3.45Å; K200-Y202 PolarHBondContact O-N 3.17Å
201N26.3Very low36.6Very low156 Ų156117.9 Ų117.983%0.83462%0.621SS**SBendtrans1157.5154.6-67.9-27.2000119.4P199P199-N201 VanDerWaalsContact C-N 3.27Å; P199-N201 PolarHBondContact O-N 3.46Å
202Y25.6Very low38.2Very low203 Ų203116.5 Ų116.580%0.79661%0.605SS**  trans-125.624167.4-76.9-82.1000113.1K200 A204K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 WeakPolarHBondContact O-CD2 3.45Å; K200-Y202 PolarHBondContact O-N 3.17Å; Y202-A204 PolarHBondContact O-N 2.84Å
203G31.8Very low39.5Very low45 Ų45111.2 Ų111.246%0.46458%0.583SS.*SBendtrans-67.3119.6166.800000109.3K205G203-K205 PolarHBondContact O-N 3Å
204A41.4Very low40.7Very low56 Ų56109 Ų10946%0.46358%0.575SS.*  trans-34.310617700000110.7Y202 Y206 G207Y202-A204 PolarHBondContact O-N 2.84Å; A204-Y206 PolarHBondContact O-N 2.88Å; A204-G207 WeakPolarHBondContact CB-O 3.41Å; A204-G207 PolarHBondContact O-N 3.01Å; A204-G207 VanDerWaalsContact O-N 3.14Å; A204-G207 VanDerWaalsContact O-O 3.05Å
205K47Very low42.3Very low173 Ų173108 Ų10875%0.75256%0.561SS**THydrogen-bonded Turntrans-55.6-16.8-166.2-79.4-176176.4178.90114G203G203-K205 PolarHBondContact O-N 3Å
206Y50.6Low44Very low100 Ų10099.8 Ų99.839%0.39252%0.518SS..THydrogen-bonded Turntrans-114.1-12.8-170.3-58.8-66000114.1A204 C218 R219 F235 L239 F244A204-Y206 PolarHBondContact O-N 2.88Å; Y206-C218 CarbonylContact O-C 3.46Å; Y206-C218 WeakPolarHBondContact O-CA 3.19Å; Y206-C218 PolarHBondContact O-SG 2.95Å; Y206-C218 VanDerWaalsContact O-SG 3.36Å; Y206-R219 PolarHBondContact O-N 3.4Å; Y206-F235 WeakPolarHBondContact O-CZ 3.12Å; Y206-L239 VanDerWaalsContact CB-CD1 3.47Å; Y206-L239 HydrophobicContact CD2-CD1 4.11Å; Y206-L239 HydrophobicContact CG-CD1 3.81Å; Y206-L239 HydrophobicContact CG-CD2 4.29Å; Y206-F244 HydrophobicContact CD1-CE1 4.13Å; Y206-F244 AromaticContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD2-CZ 4.46Å; Y206-F244 AromaticContact CE1-CE1 3.48Å; Y206-F244 HydrophobicContact CE1-CE1 3.48Å; Y206-F244 VanDerWaalsContact CE1-CE1 3.48Å; Y206-F244 AromaticContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE1-CZ 3.41Å; Y206-F244 VanDerWaalsContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE2-CZ 4.1Å; Y206-F244 HydrophobicContact CG-CZ 4.32Å; Y206-F244 AromaticContact CZ-CE1 3.87Å; Y206-F244 AromaticContact CZ-CZ 3.56Å
207G57.7Low45.5Very low2 Ų294.6 Ų94.62%0.02149%0.49CS..EExtended strand (participates in β ladder)trans-173.1174.1-177.300000115.8A204 I217A204-G207 WeakPolarHBondContact CB-O 3.41Å; A204-G207 PolarHBondContact O-N 3.01Å; A204-G207 VanDerWaalsContact O-N 3.14Å; A204-G207 VanDerWaalsContact O-O 3.05Å; G207-I217 CarbonylContact C-O 3.57Å; G207-I217 VanDerWaalsContact C-O 3.3Å; G207-I217 WeakPolarHBondContact CA-O 3.36Å
208S57.2Low47.2Very low43 Ų4391.6 Ų91.630%0.30147%0.469SS..EExtended strand (participates in β ladder)trans-131.1127174.547.20000110.3I217S208-I217 PolarHBondContact N-O 3.15Å; S208-I217 PolarHBondContact O-N 2.86Å
209L53.8Low48.7Very low96 Ų9688.8 Ų88.850%0.50345%0.452SS..EExtended strand (participates in β ladder)trans-64.1137.3172.8-167.775.1000109.6H215 M216 L227L209-H215 WeakPolarHBondContact CA-O 3.42Å; L209-H215 WeakPolarHBondContact CD1-O 3.27Å; L209-M216 HydrophobicContact CB-CE 4.19Å; L209-M216 HydrophobicContact CD1-CE 3.69Å; L209-L227 HydrophobicContact CD1-CD1 3.48Å; L209-L227 VanDerWaalsContact CD1-CD1 3.48Å
210T58.1Low50Low16 Ų1686.7 Ų86.710%0.09844%0.44CS..  trans-71.6157.4173.644.70000111.4D212 G213 H215 I217T210-D212 VanDerWaalsContact CB-OD1 3.23Å; T210-D212 WeakPolarHBondContact CB-OD1 3.3Å; T210-D212 PolarHBondContact O-N 3.17Å; T210-D212 VanDerWaalsContact O-N 3.15Å; T210-D212 PolarHBondContact OG1-OD1 3.4Å; T210-G213 PolarHBondContact O-N 2.73Å; T210-H215 HydrophobicContact CG2-CB 3.83Å; T210-H215 PolarHBondContact N-O 3.48Å; T210-H215 WeakPolarHBondContact OG1-CA 3.39Å; T210-H215 VanDerWaalsContact OG1-CB 3.29Å; T210-H215 WeakPolarHBondContact OG1-CB 3.44Å; T210-H215 PolarHBondContact OG1-N 3.32Å; T210-H215 VanDerWaalsContact OG1-N 3.09Å; T210-H215 PolarHBondContact OG1-O 3.09Å; T210-I217 HydrophobicContact CG2-CD1 4.01Å; T210-I217 HydrophobicContact CG2-CG1 3.92Å
211P52.1Low51.5Low137 Ų13779.8 Ų79.889%0.8942%0.416SS*.THydrogen-bonded Turntrans-59-25.9-179.9-25.434.8000114.4G213P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 2.77Å
212D57.9Low52.8Low72 Ų7278.3 Ų78.339%0.38541%0.408SS..THydrogen-bonded Turntrans-77.7-7.4176.567.8-3.4000113.5T210 R214 H215T210-D212 VanDerWaalsContact CB-OD1 3.23Å; T210-D212 WeakPolarHBondContact CB-OD1 3.3Å; T210-D212 PolarHBondContact O-N 3.17Å; T210-D212 VanDerWaalsContact O-N 3.15Å; T210-D212 PolarHBondContact OG1-OD1 3.4Å; D212-R214 PolarHBondContact O-N 3.26Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 PolarHBondContact OD1-N 2.93Å; D212-H215 IonicContact OD1-ND1 2.99Å; D212-H215 PolarHBondContact OD1-ND1 3.25Å; D212-H215 IonicContact OD2-CE1 3.29Å; D212-H215 PolarHBondContact OD2-CE1 2.85Å; D212-H215 VanDerWaalsContact OD2-CE1 3.29Å; D212-H215 IonicContact OD2-ND1 3.46Å; D212-H215 PolarHBondContact OD2-ND1 2.88Å
213G52.7Low54.2Low24 Ų2470.8 Ų70.825%0.24738%0.384CS..SBendtrans67.80.1-17700000115T210 P211T210-G213 PolarHBondContact O-N 2.73Å; P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 2.77Å
214R54.6Low55.6Low174 Ų17472.5 Ų72.566%0.65739%0.388SS*.SBendtrans-95.9-8.7-172.9-67.3175.9-177-161.7-1.4113.2D212 L227D212-R214 PolarHBondContact O-N 3.26Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 PolarHBondContact OD1-N 2.93Å; R214-L227 PolarHBondContact O-N 3.13Å
215H58.6Low56.5Low57 Ų5770.7 Ų70.726%0.26437%0.371SS..EExtended strand (participates in β ladder)trans-139.9156-177.9-46.282.4000112.2L209 T210 D212 C224 V225L209-H215 WeakPolarHBondContact CA-O 3.42Å; L209-H215 WeakPolarHBondContact CD1-O 3.27Å; T210-H215 HydrophobicContact CG2-CB 3.83Å; T210-H215 PolarHBondContact N-O 3.48Å; T210-H215 WeakPolarHBondContact OG1-CA 3.39Å; T210-H215 VanDerWaalsContact OG1-CB 3.29Å; T210-H215 WeakPolarHBondContact OG1-CB 3.44Å; T210-H215 PolarHBondContact OG1-N 3.32Å; T210-H215 VanDerWaalsContact OG1-N 3.09Å; T210-H215 PolarHBondContact OG1-O 3.09Å; D212-H215 IonicContact OD1-ND1 2.99Å; D212-H215 PolarHBondContact OD1-ND1 3.25Å; D212-H215 IonicContact OD2-CE1 3.29Å; D212-H215 PolarHBondContact OD2-CE1 2.85Å; D212-H215 VanDerWaalsContact OD2-CE1 3.29Å; D212-H215 IonicContact OD2-ND1 3.46Å; D212-H215 PolarHBondContact OD2-ND1 2.88Å; H215-C224 WeakPolarHBondContact CB-SG 3.39Å; H215-V225 CarbonylContact C-O 3.52Å; H215-V225 WeakPolarHBondContact CA-O 3.26Å
216M60.9Low57.1Low10 Ų1065 Ų655%0.04936%0.356CS..EExtended strand (participates in β ladder)trans-123.4122.3170-164.9156.1-65.600110.5L209 C218 V225 L227 F232 F235L209-M216 HydrophobicContact CB-CE 4.19Å; L209-M216 HydrophobicContact CD1-CE 3.69Å; M216-C218 PolarHBondContact O-N 3.34Å; M216-V225 PolarHBondContact N-O 3.48Å; M216-V225 PolarHBondContact O-N 2.86Å; M216-L227 HydrophobicContact CB-CD1 4.25Å; M216-L227 HydrophobicContact CB-CD2 4.36Å; M216-L227 HydrophobicContact CB-CG 4.46Å; M216-L227 HydrophobicContact CE-CD1 4.1Å; M216-F232 HydrophobicContact CE-CD2 3.6Å; M216-F232 HydrophobicContact CE-CE2 3.1Å; M216-F232 HydrophobicContact CE-CZ 4.03Å; M216-F232 HydrophobicContact SD-CD2 4.05Å; M216-F232 HydrophobicContact SD-CE2 3.27Å; M216-F232 WeakPolarHBondContact SD-CE2 3.32Å; M216-F232 HydrophobicContact SD-CZ 3.57Å; M216-F232 VanDerWaalsContact SD-CZ 3.57Å; M216-F235 HydrophobicContact CB-CB 4.34Å; M216-F235 HydrophobicContact CB-CD2 3.6Å; M216-F235 HydrophobicContact CB-CE2 4.04Å; M216-F235 HydrophobicContact CB-CG 4Å; M216-F235 HydrophobicContact CG-CD1 4.2Å; M216-F235 HydrophobicContact CG-CD2 3.5Å; M216-F235 VanDerWaalsContact CG-CD2 3.5Å; M216-F235 HydrophobicContact CG-CE1 4.15Å; M216-F235 HydrophobicContact CG-CE2 3.48Å; M216-F235 VanDerWaalsContact CG-CE2 3.48Å; M216-F235 HydrophobicContact CG-CG 3.86Å; M216-F235 HydrophobicContact CG-CZ 3.81Å; M216-F235 HydrophobicContact SD-CB 4.14Å; M216-F235 HydrophobicContact SD-CD1 3.24Å; M216-F235 WeakPolarHBondContact SD-CD1 3.39Å; M216-F235 HydrophobicContact SD-CD2 3.68Å; M216-F235 HydrophobicContact SD-CE1 3.32Å; M216-F235 WeakPolarHBondContact SD-CE1 3.32Å; M216-F235 HydrophobicContact SD-CE2 3.79Å; M216-F235 HydrophobicContact SD-CG 3.39Å; M216-F235 WeakPolarHBondContact SD-CG 3.24Å; M216-F235 HydrophobicContact SD-CZ 3.6Å
217I60.3Low57.7Low52 Ų5260.5 Ų60.527%0.26734%0.339SS..EExtended strand (participates in β ladder)trans-82114.6173.7-56.7172.2000107.5G207 S208 T210 R219 C223G207-I217 CarbonylContact C-O 3.57Å; G207-I217 VanDerWaalsContact C-O 3.3Å; G207-I217 WeakPolarHBondContact CA-O 3.36Å; S208-I217 PolarHBondContact N-O 3.15Å; S208-I217 PolarHBondContact O-N 2.86Å; T210-I217 HydrophobicContact CG2-CD1 4.01Å; T210-I217 HydrophobicContact CG2-CG1 3.92Å; I217-R219 PolarHBondContact O-N 3.37Å; I217-C223 CarbonylContact C-O 3.53Å; I217-C223 WeakPolarHBondContact CA-O 3.31Å
218C61.4Low57.1Low0 Ų064.1 Ų64.10%037%0.369CS..EExtended strand (participates in β ladder)trans-72124.8173.8-176.50000110.7Y206 M216 S220 C221 N222 C223 F235 H238 C243Y206-C218 CarbonylContact O-C 3.46Å; Y206-C218 WeakPolarHBondContact O-CA 3.19Å; Y206-C218 PolarHBondContact O-SG 2.95Å; Y206-C218 VanDerWaalsContact O-SG 3.36Å; M216-C218 PolarHBondContact O-N 3.34Å; C218-S220 VanDerWaalsContact C-N 3.29Å; C218-S220 PolarHBondContact O-N 2.92Å; C218-S220 PolarHBondContact SG-N 3.07Å; C218-S220 VanDerWaalsContact SG-N 3.41Å; C218-C221 VanDerWaalsContact CB-SG 3.59Å; C218-N222 WeakPolarHBondContact O-CA 3.42Å; C218-N222 PolarHBondContact O-N 2.57Å; C218-C223 PolarHBondContact N-O 3.25Å; C218-F235 HydrophobicContact CB-CE2 3.86Å; C218-H238 WeakPolarHBondContact CB-NE2 3.34Å; C218-C243 PolarHBondContact SG-SG 3.41Å
219R58.3Low56.7Low143 Ų14368.6 Ų68.654%0.5439%0.389SS..THydrogen-bonded Turntrans-72.5-21.3176.6-74.5179.6177.9-170-1.8113.4Y206 I217Y206-R219 PolarHBondContact O-N 3.4Å; I217-R219 PolarHBondContact O-N 3.37Å
220S56.1Low56.2Low71 Ų7166.9 Ų66.950%0.49740%0.395SS..THydrogen-bonded Turntrans-80.9-35-177.1-59.90000112.8C218 C243C218-S220 VanDerWaalsContact C-N 3.29Å; C218-S220 PolarHBondContact O-N 2.92Å; C218-S220 PolarHBondContact SG-N 3.07Å; C218-S220 VanDerWaalsContact SG-N 3.41Å; S220-C243 VanDerWaalsContact CB-SG 3.58Å
221C58.3Low55.9Low46 Ų4669 Ų6931%0.31141%0.408SS..THydrogen-bonded Turntrans-126.63.2-177.762.70000114C218 C223 H238C218-C221 VanDerWaalsContact CB-SG 3.59Å; C221-C223 PolarHBondContact O-N 2.95Å; C221-C223 VanDerWaalsContact O-N 3.08Å; C221-H238 PolarHBondContact SG-CE1 3.47Å; C221-H238 PolarHBondContact SG-NE2 3.17Å
222N54.9Low56.2Low124 Ų12466.2 Ų66.266%0.66338%0.382SS*.  trans56.815.3-176.1-74.1-10.1000115.3C218C218-N222 WeakPolarHBondContact O-CA 3.42Å; C218-N222 PolarHBondContact O-N 2.57Å
223C55.1Low55.9Low46 Ų4665.3 Ų65.331%0.31138%0.381SS..  trans-76.6142.3176.3-63.40000111.6I217 C218 C221 H238I217-C223 CarbonylContact C-O 3.53Å; I217-C223 WeakPolarHBondContact CA-O 3.31Å; C218-C223 PolarHBondContact N-O 3.25Å; C221-C223 PolarHBondContact O-N 2.95Å; C221-C223 VanDerWaalsContact O-N 3.08Å; C223-H238 VanDerWaalsContact CB-CE1 3.43Å; C223-H238 WeakPolarHBondContact CB-CE1 3.23Å
224C60.6Low56.1Low81 Ų8167 Ų6755%0.54739%0.385SS..EExtended strand (participates in β ladder)trans-90.6120.8170-168.60000109.1H215H215-C224 WeakPolarHBondContact CB-SG 3.39Å
225V60Low56.4Low17 Ų1758.9 Ų58.910%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-107.5120.7-179.6-175.90000109H215 M216 N234 F235 H238H215-V225 CarbonylContact C-O 3.52Å; H215-V225 WeakPolarHBondContact CA-O 3.26Å; M216-V225 PolarHBondContact N-O 3.48Å; M216-V225 PolarHBondContact O-N 2.86Å; V225-N234 HydrophobicContact CG1-CB 3.93Å; V225-F235 HydrophobicContact CB-CD2 4.25Å; V225-F235 HydrophobicContact CG1-CB 4.46Å; V225-F235 HydrophobicContact CG2-CD2 4.06Å; V225-H238 HydrophobicContact CG1-CB 4.35Å; V225-H238 HydrophobicContact CG2-CB 3.75Å
226A60.1Low56.4Low53 Ų5358.7 Ų58.744%0.43836%0.357SS..EExtended strand (participates in β ladder)trans-69.3133.117400000111.4N234A226-N234 PolarHBondContact O-ND2 2.87Å; A226-N234 VanDerWaalsContact O-ND2 3.13Å
227L62.3Low56.4Low7 Ų763.5 Ų63.54%0.03738%0.379CS..  trans-106.681.4174.1-52.9177.8000107.1L209 R214 M216 D229 G230 T231 F235L209-L227 HydrophobicContact CD1-CD1 3.48Å; L209-L227 VanDerWaalsContact CD1-CD1 3.48Å; R214-L227 PolarHBondContact O-N 3.13Å; M216-L227 HydrophobicContact CB-CD1 4.25Å; M216-L227 HydrophobicContact CB-CD2 4.36Å; M216-L227 HydrophobicContact CB-CG 4.46Å; M216-L227 HydrophobicContact CE-CD1 4.1Å; L227-D229 PolarHBondContact O-N 2.97Å; L227-G230 PolarHBondContact O-N 2.88Å; L227-T231 VanDerWaalsContact CD2-O 3.31Å; L227-T231 WeakPolarHBondContact CD2-O 3.42Å; L227-F235 HydrophobicContact CD2-CB 4.04Å
228A45.2Very low56.5Low77 Ų7762.1 Ų62.164%0.63637%0.372SS*.THydrogen-bonded Turntrans-59.8-20-168.600000114.3
229D50.2Low56.3Low137 Ų13762.6 Ų62.673%0.73337%0.374SS*.THydrogen-bonded Turntrans-134.825.1-180-55.9-58.8000112.3L227 T231L227-D229 PolarHBondContact O-N 2.97Å; D229-T231 HydrophobicContact CB-CG2 4.07Å; D229-T231 PolarHBondContact O-N 3.2Å; D229-T231 VanDerWaalsContact O-N 3.08Å
230G43.6Very low56.3Low61 Ų6160.5 Ų60.563%0.62937%0.369SS*.SBendtrans66.25.3-16800000113.6L227L227-G230 PolarHBondContact O-N 2.88Å
231T50.2Low56.3Low59 Ų5962.2 Ų62.236%0.36237%0.372SS..  trans-79126.7-178.447.60000111.2L227 D229 S233L227-T231 VanDerWaalsContact CD2-O 3.31Å; L227-T231 WeakPolarHBondContact CD2-O 3.42Å; D229-T231 HydrophobicContact CB-CG2 4.07Å; D229-T231 PolarHBondContact O-N 3.2Å; D229-T231 VanDerWaalsContact O-N 3.08Å; T231-S233 PolarHBondContact O-N 3.35Å
232F59.4Low56.2Low79 Ų7965.1 Ų65.135%0.34638%0.381SS..THydrogen-bonded Turntrans-74.9-4-179.2-151.6-102.7000112.9M216 N234 F235 V236M216-F232 HydrophobicContact CE-CD2 3.6Å; M216-F232 HydrophobicContact CE-CE2 3.1Å; M216-F232 HydrophobicContact CE-CZ 4.03Å; M216-F232 HydrophobicContact SD-CD2 4.05Å; M216-F232 HydrophobicContact SD-CE2 3.27Å; M216-F232 WeakPolarHBondContact SD-CE2 3.32Å; M216-F232 HydrophobicContact SD-CZ 3.57Å; M216-F232 VanDerWaalsContact SD-CZ 3.57Å; F232-N234 PolarHBondContact O-N 2.71Å; F232-F235 HydrophobicContact CD1-CD1 4.13Å; F232-F235 AromaticContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CD1 3.47Å; F232-F235 VanDerWaalsContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CE1 4.03Å; F232-F235 HydrophobicContact CE2-CD1 4.08Å; F232-F235 AromaticContact CZ-CD1 3.43Å; F232-F235 HydrophobicContact CZ-CD1 3.43Å; F232-F235 VanDerWaalsContact CZ-CD1 3.43Å; F232-F235 AromaticContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CG 4.48Å; F232-F235 PolarHBondContact O-N 3.18Å; F232-F235 VanDerWaalsContact O-N 3.17Å; F232-V236 HydrophobicContact CD1-CG2 3.53Å; F232-V236 HydrophobicContact CE1-CG2 3.99Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.22Å
233S51.8Low56.1Low53 Ų5360.4 Ų60.437%0.37136%0.357SS..Hα-helixtrans-59.3-45.4-175.553.60000112.4T231 F235 V236 Q237T231-S233 PolarHBondContact O-N 3.35Å; S233-F235 VanDerWaalsContact C-N 3.3Å; S233-F235 PolarHBondContact O-N 3.17Å; S233-V236 PolarHBondContact O-N 3.24Å; S233-Q237 WeakPolarHBondContact O-CB 3.48Å; S233-Q237 WeakPolarHBondContact O-CG 3.37Å; S233-Q237 PolarHBondContact O-N 2.89Å
234N55.3Low55.9Low61 Ų6163.7 Ų63.733%0.32637%0.366SS..Hα-helixtrans-61.5-39.4176.4-72.9-10.9000111.8V225 A226 F232 Q237 H238V225-N234 HydrophobicContact CG1-CB 3.93Å; A226-N234 PolarHBondContact O-ND2 2.87Å; A226-N234 VanDerWaalsContact O-ND2 3.13Å; F232-N234 PolarHBondContact O-N 2.71Å; N234-Q237 PolarHBondContact O-N 3.06Å; N234-H238 VanDerWaalsContact O-CB 3.26Å; N234-H238 WeakPolarHBondContact O-CB 3.41Å; N234-H238 PolarHBondContact O-N 3.27Å
235F61.5Low55Low3 Ų363.7 Ų63.71%0.01337%0.368CS..Hα-helixtrans-69.7-39.9177.1-177.3-106.2000112.1Y206 M216 C218 V225 L227 F232 S233 H238 L239Y206-F235 WeakPolarHBondContact O-CZ 3.12Å; M216-F235 HydrophobicContact CB-CB 4.34Å; M216-F235 HydrophobicContact CB-CD2 3.6Å; M216-F235 HydrophobicContact CB-CE2 4.04Å; M216-F235 HydrophobicContact CB-CG 4Å; M216-F235 HydrophobicContact CG-CD1 4.2Å; M216-F235 HydrophobicContact CG-CD2 3.5Å; M216-F235 VanDerWaalsContact CG-CD2 3.5Å; M216-F235 HydrophobicContact CG-CE1 4.15Å; M216-F235 HydrophobicContact CG-CE2 3.48Å; M216-F235 VanDerWaalsContact CG-CE2 3.48Å; M216-F235 HydrophobicContact CG-CG 3.86Å; M216-F235 HydrophobicContact CG-CZ 3.81Å; M216-F235 HydrophobicContact SD-CB 4.14Å; M216-F235 HydrophobicContact SD-CD1 3.24Å; M216-F235 WeakPolarHBondContact SD-CD1 3.39Å; M216-F235 HydrophobicContact SD-CD2 3.68Å; M216-F235 HydrophobicContact SD-CE1 3.32Å; M216-F235 WeakPolarHBondContact SD-CE1 3.32Å; M216-F235 HydrophobicContact SD-CE2 3.79Å; M216-F235 HydrophobicContact SD-CG 3.39Å; M216-F235 WeakPolarHBondContact SD-CG 3.24Å; M216-F235 HydrophobicContact SD-CZ 3.6Å; C218-F235 HydrophobicContact CB-CE2 3.86Å; V225-F235 HydrophobicContact CB-CD2 4.25Å; V225-F235 HydrophobicContact CG1-CB 4.46Å; V225-F235 HydrophobicContact CG2-CD2 4.06Å; L227-F235 HydrophobicContact CD2-CB 4.04Å; F232-F235 HydrophobicContact CD1-CD1 4.13Å; F232-F235 AromaticContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CD1 3.47Å; F232-F235 VanDerWaalsContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CE1 4.03Å; F232-F235 HydrophobicContact CE2-CD1 4.08Å; F232-F235 AromaticContact CZ-CD1 3.43Å; F232-F235 HydrophobicContact CZ-CD1 3.43Å; F232-F235 VanDerWaalsContact CZ-CD1 3.43Å; F232-F235 AromaticContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CG 4.48Å; F232-F235 PolarHBondContact O-N 3.18Å; F232-F235 VanDerWaalsContact O-N 3.17Å; S233-F235 VanDerWaalsContact C-N 3.3Å; S233-F235 PolarHBondContact O-N 3.17Å; F235-H238 WeakPolarHBondContact O-CB 3.32Å; F235-H238 PolarHBondContact O-N 2.99Å; F235-L239 HydrophobicContact CD1-CD1 3.98Å; F235-L239 HydrophobicContact CD1-CG 4.2Å; F235-L239 HydrophobicContact CE1-CD1 3.5Å; F235-L239 HydrophobicContact CE1-CD2 4.2Å; F235-L239 HydrophobicContact CE1-CG 3.85Å; F235-L239 HydrophobicContact CE2-CD2 4.24Å; F235-L239 HydrophobicContact CE2-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 HydrophobicContact CZ-CD2 3.82Å; F235-L239 HydrophobicContact CZ-CG 3.96Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 3.01Å
236V59.8Low53.8Low53 Ų5368.7 Ų68.732%0.32139%0.39SS..Hα-helixtrans-64.2-42.2174.2174.30000111.2F232 S233 H238 L239 K240F232-V236 HydrophobicContact CD1-CG2 3.53Å; F232-V236 HydrophobicContact CE1-CG2 3.99Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.22Å; S233-V236 PolarHBondContact O-N 3.24Å; V236-H238 VanDerWaalsContact C-N 3.32Å; V236-L239 PolarHBondContact O-N 3.44Å; V236-K240 HydrophobicContact CG1-CD 4.19Å; V236-K240 WeakPolarHBondContact O-CB 3.46Å; V236-K240 VanDerWaalsContact O-CG 3.32Å; V236-K240 WeakPolarHBondContact O-CG 3.17Å; V236-K240 PolarHBondContact O-N 3.08Å
237Q61.1Low52.5Low110 Ų11072.3 Ų72.351%0.51441%0.409SS..Hα-helixtrans-60.4-44.4173.5-75.5-178.11.200111.1S233 N234 L239 K240 L241S233-Q237 WeakPolarHBondContact O-CB 3.48Å; S233-Q237 WeakPolarHBondContact O-CG 3.37Å; S233-Q237 PolarHBondContact O-N 2.89Å; N234-Q237 PolarHBondContact O-N 3.06Å; Q237-L239 PolarHBondContact O-N 2.79Å; Q237-K240 PolarHBondContact O-N 3.46Å; Q237-L241 WeakPolarHBondContact O-CB 3.22Å; Q237-L241 WeakPolarHBondContact O-CG 3.41Å; Q237-L241 PolarHBondContact O-N 2.86Å
238H60.7Low51Low23 Ų2381 Ų8111%0.10645%0.446CS..Hα-helixtrans-60.2-44.6175.7174.282.7000112.4C218 C221 C223 V225 N234 F235 V236 K240 L241 H242C218-H238 WeakPolarHBondContact CB-NE2 3.34Å; C221-H238 PolarHBondContact SG-CE1 3.47Å; C221-H238 PolarHBondContact SG-NE2 3.17Å; C223-H238 VanDerWaalsContact CB-CE1 3.43Å; C223-H238 WeakPolarHBondContact CB-CE1 3.23Å; V225-H238 HydrophobicContact CG1-CB 4.35Å; V225-H238 HydrophobicContact CG2-CB 3.75Å; N234-H238 VanDerWaalsContact O-CB 3.26Å; N234-H238 WeakPolarHBondContact O-CB 3.41Å; N234-H238 PolarHBondContact O-N 3.27Å; F235-H238 WeakPolarHBondContact O-CB 3.32Å; F235-H238 PolarHBondContact O-N 2.99Å; V236-H238 VanDerWaalsContact C-N 3.32Å; H238-K240 PolarHBondContact O-N 3.32Å; H238-L241 PolarHBondContact O-N 3.27Å; H238-H242 AromaticContact ND1-CD2 3.64Å; H238-H242 WeakPolarHBondContact O-CB 3.38Å; H238-H242 PolarHBondContact O-N 3.28Å
239L58.9Low50.3Low10 Ų1081.2 Ų81.25%0.05244%0.441CS..Iπ-helixtrans-61.6-45174.8-68.7-178.1000111.9Y206 F235 V236 Q237 C243 F244Y206-L239 VanDerWaalsContact CB-CD1 3.47Å; Y206-L239 HydrophobicContact CD2-CD1 4.11Å; Y206-L239 HydrophobicContact CG-CD1 3.81Å; Y206-L239 HydrophobicContact CG-CD2 4.29Å; F235-L239 HydrophobicContact CD1-CD1 3.98Å; F235-L239 HydrophobicContact CD1-CG 4.2Å; F235-L239 HydrophobicContact CE1-CD1 3.5Å; F235-L239 HydrophobicContact CE1-CD2 4.2Å; F235-L239 HydrophobicContact CE1-CG 3.85Å; F235-L239 HydrophobicContact CE2-CD2 4.24Å; F235-L239 HydrophobicContact CE2-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 HydrophobicContact CZ-CD2 3.82Å; F235-L239 HydrophobicContact CZ-CG 3.96Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 3.01Å; V236-L239 PolarHBondContact O-N 3.44Å; Q237-L239 PolarHBondContact O-N 2.79Å; L239-C243 HydrophobicContact CD2-CB 4Å; L239-C243 CarbonylContact O-C 3.51Å; L239-C243 WeakPolarHBondContact O-CA 3.44Å; L239-C243 VanDerWaalsContact O-CB 3.3Å; L239-C243 WeakPolarHBondContact O-CB 3.19Å; L239-C243 PolarHBondContact O-N 3.22Å; L239-F244 HydrophobicContact CB-CD2 3.96Å; L239-F244 HydrophobicContact CB-CE2 3.59Å; L239-F244 HydrophobicContact CB-CZ 4.41Å; L239-F244 HydrophobicContact CD1-CE2 4.26Å; L239-F244 HydrophobicContact CG-CE2 4.48Å; L239-F244 VanDerWaalsContact O-CD2 3.23Å; L239-F244 WeakPolarHBondContact O-CD2 3.35Å; L239-F244 PolarHBondContact O-N 3.06Å
240K58Low49.3Very low100 Ų10084.2 Ų84.244%0.43545%0.448SS..Iπ-helixtrans-58.1-55.1176.5-74.6174.2179178.60110.5V236 Q237 H238 S245V236-K240 HydrophobicContact CG1-CD 4.19Å; V236-K240 WeakPolarHBondContact O-CB 3.46Å; V236-K240 VanDerWaalsContact O-CG 3.32Å; V236-K240 WeakPolarHBondContact O-CG 3.17Å; V236-K240 PolarHBondContact O-N 3.08Å; Q237-K240 PolarHBondContact O-N 3.46Å; H238-K240 PolarHBondContact O-N 3.32Å; K240-S245 WeakPolarHBondContact O-CB 3.37Å; K240-S245 PolarHBondContact O-N 2.97Å; K240-S245 VanDerWaalsContact O-N 3.17Å; K240-S245 PolarHBondContact O-OG 2.95Å
241L55.6Low48.7Very low106 Ų10688.3 Ų88.356%0.55546%0.455SS*.Iπ-helixtrans-68.6-42.8-173.8-75162.5000113.5Q237 H238 S245Q237-L241 WeakPolarHBondContact O-CB 3.22Å; Q237-L241 WeakPolarHBondContact O-CG 3.41Å; Q237-L241 PolarHBondContact O-N 2.86Å; H238-L241 PolarHBondContact O-N 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.43Å
242H55.2Low47.7Very low107 Ų10794.8 Ų94.850%0.49548%0.475SS..Iπ-helixtrans-114.5-19.3-165.2-61.1-72.4000114.3H238H238-H242 AromaticContact ND1-CD2 3.64Å; H238-H242 WeakPolarHBondContact O-CB 3.38Å; H238-H242 PolarHBondContact O-N 3.28Å
243C53.9Low46.1Very low26 Ų2698.9 Ų98.918%0.17650%0.495CS..Iπ-helixtrans-110.3-32.6-175.5-55.20000113C218 S220 L239C218-C243 PolarHBondContact SG-SG 3.41Å; S220-C243 VanDerWaalsContact CB-SG 3.58Å; L239-C243 HydrophobicContact CD2-CB 4Å; L239-C243 CarbonylContact O-C 3.51Å; L239-C243 WeakPolarHBondContact O-CA 3.44Å; L239-C243 VanDerWaalsContact O-CB 3.3Å; L239-C243 WeakPolarHBondContact O-CB 3.19Å; L239-C243 PolarHBondContact O-N 3.22Å
244F50.5Low44.9Very low114 Ų114100.1 Ų100.150%0.551%0.508SS..Iπ-helixtrans-102.2-26.1179.9-60.4-50000113.3Y206 L239Y206-F244 HydrophobicContact CD1-CE1 4.13Å; Y206-F244 AromaticContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD2-CZ 4.46Å; Y206-F244 AromaticContact CE1-CE1 3.48Å; Y206-F244 HydrophobicContact CE1-CE1 3.48Å; Y206-F244 VanDerWaalsContact CE1-CE1 3.48Å; Y206-F244 AromaticContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE1-CZ 3.41Å; Y206-F244 VanDerWaalsContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE2-CZ 4.1Å; Y206-F244 HydrophobicContact CG-CZ 4.32Å; Y206-F244 AromaticContact CZ-CE1 3.87Å; Y206-F244 AromaticContact CZ-CZ 3.56Å; L239-F244 HydrophobicContact CB-CD2 3.96Å; L239-F244 HydrophobicContact CB-CE2 3.59Å; L239-F244 HydrophobicContact CB-CZ 4.41Å; L239-F244 HydrophobicContact CD1-CE2 4.26Å; L239-F244 HydrophobicContact CG-CE2 4.48Å; L239-F244 VanDerWaalsContact O-CD2 3.23Å; L239-F244 WeakPolarHBondContact O-CD2 3.35Å; L239-F244 PolarHBondContact O-N 3.06Å
245S42Very low43.6Very low82 Ų82102.8 Ų102.857%0.57353%0.529SS*.SBendtrans-88.8-13.4-178.8-54.90000114.6K240 L241K240-S245 WeakPolarHBondContact O-CB 3.37Å; K240-S245 PolarHBondContact O-N 2.97Å; K240-S245 VanDerWaalsContact O-N 3.17Å; K240-S245 PolarHBondContact O-OG 2.95Å; L241-S245 WeakPolarHBondContact O-CB 3.43Å
246Q34.9Very low41.9Very low121 Ų121109.5 Ų109.557%0.56556%0.564SS**  trans-139.9115.2178.5-68-163700112.8K248Q246-K248 PolarHBondContact O-N 3.46Å; Q246-K248 VanDerWaalsContact O-N 3.07Å
247P33.1Very low40.3Very low129 Ų129113.9 Ų113.984%0.83858%0.579SS**  trans-72.599.616729.1-28.6000109
248K29.7Very low38.6Very low189 Ų189115.2 Ų115.282%0.82259%0.594SS**  trans49.6109.6162.7-60.5177.2179.5175.90117.2Q246Q246-K248 PolarHBondContact O-N 3.46Å; Q246-K248 VanDerWaalsContact O-N 3.07Å
249P30.2Very low37Very low82 Ų82119.4 Ų119.453%0.53262%0.621SS.*  trans-104.1122.4134.722.7-10.7000109.1N251P249-N251 PolarHBondContact O-N 2.9Å
250K31.1Very low35.4Very low200 Ų200125.1 Ų125.187%0.8766%0.657SS**SBendtrans-60.37.4176.3-83.2178.9171.3-1800115
251N29.3Very low33.8Very low148 Ų148125.6 Ų125.679%0.79167%0.673SS**  trans-14365.9-165.7-62.1-24.2000111.9P249P249-N251 PolarHBondContact O-N 2.9Å
252Y30Very low32.4Very low195 Ų195127.5 Ų127.577%0.76568%0.684SS**  trans-109.6105.9164.7-151.5-96.2000108.8A254Y252-A254 PolarHBondContact O-N 3.06Å
253E26.5Very low30.9Very low164 Ų164128.2 Ų128.277%0.76670%0.698SS**PPolyproline II helixtrans-59.9125.4166.1-76-179.4142.800108.1
254A25.5Very low29.6Very low79 Ų79134.5 Ų134.565%0.65373%0.728SS**PPolyproline II helixtrans-52.9140.6169.400000108.7Y252 L256Y252-A254 PolarHBondContact O-N 3.06Å; A254-L256 PolarHBondContact O-N 2.83Å
255P27.9Very low28.4Very low118 Ų118135 Ų13577%0.76674%0.74SS**PPolyproline II helixtrans-53.1116.4-178.518.1-28.9000109.6K257P255-K257 PolarHBondContact O-N 3.01Å; P255-K257 VanDerWaalsContact O-N 3.14Å
256L26.9Very low27.8Very low143 Ų143136.6 Ų136.675%0.74975%0.748SS**PPolyproline II helixtrans-54.7120.4174.4-110.9114.2000107.6A254 V258A254-L256 PolarHBondContact O-N 2.83Å; L256-V258 PolarHBondContact O-N 3.15Å
257K26.1Very low27.3Very low146 Ų146135.8 Ų135.864%0.63575%0.751SS**  trans-53105.2168.7-81.2176.7171178.50109P255 T259P255-K257 PolarHBondContact O-N 3.01Å; P255-K257 VanDerWaalsContact O-N 3.14Å; K257-T259 PolarHBondContact O-N 2.75Å
258V25.6Very low26.9Very low138 Ų138134.8 Ų134.884%0.83675%0.746SS**  trans-87.699155.9-175.40000106.4L256L256-V258 PolarHBondContact O-N 3.15Å
259T25.3Very low26.6Very low110 Ų110129.3 Ų129.368%0.67574%0.736SS**  trans-55.5133.216643.20000111.2K257K257-T259 PolarHBondContact O-N 2.75Å
260T25.8Very low26.4Very low131 Ų131131.3 Ų131.380%0.80475%0.75SS**  -164.1134126.429.10000109.6
261S24.7Very low26.1Very low109 Ų109127.6 Ų127.676%0.76274%0.743SS**SBendtrans66.586.616459.60000120
262N25.6Very low25.7Very low146 Ų146127 Ų12778%0.78175%0.745SS**  169.4129.2105.7-105.7-28.7000110.9I264N262-I264 PolarHBondContact O-N 2.92Å; N262-I264 VanDerWaalsContact O-N 3.17Å
263P24.4Very low25.5Very low122 Ų122124.4 Ų124.479%0.79274%0.743SS**THydrogen-bonded Turntrans-92.571.7-165.637.5-34000112.2
264I27.2Very low25.4Very low159 Ų159120.3 Ų120.382%0.81574%0.738SS**THydrogen-bonded Turntrans-139.5-5171.5-51.7178.7000113.6N262N262-I264 PolarHBondContact O-N 2.92Å; N262-I264 VanDerWaalsContact O-N 3.17Å
265V25.2Very low25.2Very low123 Ų123122.3 Ų122.375%0.74575%0.746SS**SBendtrans-101122.1-175.1-169.80000111.3V267V265-V267 PolarHBondContact O-N 3.24Å; V265-V267 VanDerWaalsContact O-N 3.1Å
266P28.2Very low25Very low116 Ų116123.1 Ų123.175%0.75375%0.749SS**  trans-62.4116.6179.124-30.7000109.9C268P266-C268 PolarHBondContact O-N 3.26Å
267V24.1Very low24.9Very low104 Ų104120 Ų12063%0.6374%0.744SS**  trans-70.1108.5173.4164.50000108.4V265 A269V265-V267 PolarHBondContact O-N 3.24Å; V265-V267 VanDerWaalsContact O-N 3.1Å; V267-A269 PolarHBondContact O-N 3.28Å
268C25.1Very low24.8Very low108 Ų108120 Ų12073%0.7376%0.756SS**  trans-63.4114.4168.3-83.90000110P266P266-C268 PolarHBondContact O-N 3.26Å
269A23.5Very low24.9Very low74 Ų74118.9 Ų118.961%0.61276%0.755SS**  trans-67.2149.2166.800000110.3V267 V271V267-A269 PolarHBondContact O-N 3.28Å; A269-V271 PolarHBondContact O-N 3.45Å
270P26.1Very low24.9Very low125 Ų125119.3 Ų119.381%0.81276%0.762SS**  trans-61.8119.117623.9-31.4000110.3T272P270-T272 PolarHBondContact O-N 3.38Å
271V24.7Very low25Very low121 Ų121117.6 Ų117.673%0.73376%0.756SS**  trans-73.8114.6174.8178.70000108.7A269 I273A269-V271 PolarHBondContact O-N 3.45Å; V271-I273 PolarHBondContact O-N 3.09Å
272T21.9Very low25.1Very low137 Ų137123.7 Ų123.784%0.8476%0.762SS**  trans-68.8105.8171.1-24.70000108.4P270 A274P270-T272 PolarHBondContact O-N 3.38Å; T272-A274 PolarHBondContact O-N 3.19Å
273I25.5Very low25.2Very low139 Ų139124.2 Ų124.271%0.71376%0.76SS**  trans-83.2114.5171.4-57.2177.7000107.3V271 S275V271-I273 PolarHBondContact O-N 3.09Å; I273-S275 PolarHBondContact O-N 3.16Å
274A23.8Very low25.3Very low79 Ų79125.1 Ų125.165%0.65376%0.758SS**  trans-51.7125.817400000110.5T272 V276T272-A274 PolarHBondContact O-N 3.19Å; A274-V276 PolarHBondContact O-N 2.85Å
275S21.4Very low25.3Very low120 Ų120122.1 Ų122.184%0.83976%0.757SS**  trans-55.4105171.7172.30000109.6I273 A277I273-S275 PolarHBondContact O-N 3.16Å; S275-A277 PolarHBondContact O-N 3.08Å
276V24.7Very low25.3Very low136 Ų136120.8 Ų120.882%0.82476%0.759SS**  trans-87.6107.2168.9-177.40000107.4A274A274-V276 PolarHBondContact O-N 2.85Å
277A24.1Very low25.3Very low77 Ų77121 Ų12164%0.63676%0.76SS**  trans-51.2135.8179.800000112.5S275 S279S275-A277 PolarHBondContact O-N 3.08Å; A277-S279 PolarHBondContact O-N 2.75Å; A277-S279 VanDerWaalsContact O-N 3.17Å
278T23.8Very low25.3Very low146 Ų146122.4 Ų122.490%0.89677%0.769SS**  trans-53.9107.7165.540.70000111.1
279S27.1Very low25.4Very low115 Ų115127 Ų12780%0.80478%0.777SS**  trans-116.5102.3158.361.90000108.9A277A277-S279 PolarHBondContact O-N 2.75Å; A277-S279 VanDerWaalsContact O-N 3.17Å
280S26.4Very low25.5Very low118 Ų118132.7 Ų132.783%0.82579%0.788SS**  trans-61.3133.9168.444.30000111
281S26.6Very low25.5Very low96 Ų96138.1 Ų138.167%0.67179%0.792SS**  trans173109.2148.9162.90000112.4
282R27.9Very low25.5Very low236 Ų236138.4 Ų138.489%0.89179%0.793SS**  trans84.486.7139.6-60.6175.7-170.8-139.41120.9
283Q28.3Very low25.7Very low157 Ų157141 Ų14173%0.73479%0.793SS**  10.8140.5125.8-79-175.82.900123.1
284N26Very low25.8Very low141 Ų141140.7 Ų140.775%0.75480%0.798SS**  trans86106.7137.2-62.8-16.5000121.7
285A26.1Very low26.1Very low97 Ų97141 Ų14180%0.80280%0.796SS**  -166111.4119.500000109.5
286A25Very low26.5Very low94 Ų94143.7 Ų143.778%0.77780%0.795SS**PPolyproline II helixtrans-64.7129.9166.700000108.3T288A286-T288 PolarHBondContact O-N 3.24Å
287P28.1Very low26.9Very low122 Ų122141.1 Ų141.179%0.79278%0.781SS**PPolyproline II helixtrans-63.1128.4-179.824.6-30.1000108.7K289P287-K289 PolarHBondContact O-N 3.36Å; P287-K289 VanDerWaalsContact O-N 3.15Å
288T25.7Very low27.4Very low132 Ų132142 Ų14281%0.8178%0.779SS**PPolyproline II helixtrans-48.3123.4171.1-40.50000108A286 K290A286-T288 PolarHBondContact O-N 3.24Å; T288-K290 PolarHBondContact O-N 2.97Å
289K26.4Very low27.7Very low206 Ų206140.4 Ų140.490%0.89678%0.78SS**  trans-59.281.9169.7-74.3-179.2176.8179.60108.6P287 R291P287-K289 PolarHBondContact O-N 3.36Å; P287-K289 VanDerWaalsContact O-N 3.15Å; K289-R291 VanDerWaalsContact C-N 3.32Å; K289-R291 PolarHBondContact O-N 2.96Å
290K26.7Very low28.1Very low193 Ų193139 Ų13984%0.83978%0.784SS**  trans-64.7104.4156.3-85.5-172.5176.6-179.20104.4T288 V292T288-K290 PolarHBondContact O-N 2.97Å; K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 2.88Å
291R24.8Very low28.8Very low239 Ų239138.7 Ų138.790%0.90277%0.769SS**  trans-49.1106.3159.2-90.4-178.5167.6-174.2-3105.5K289 K293K289-R291 VanDerWaalsContact C-N 3.32Å; K289-R291 PolarHBondContact O-N 2.96Å; R291-K293 VanDerWaalsContact C-N 3.35Å; R291-K293 PolarHBondContact O-N 2.74Å
292V25.3Very low30Very low126 Ų126136.8 Ų136.876%0.76475%0.751SS**  trans-54.9110.5160.8175.30000103.9K290 T294K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 2.88Å; V292-T294 VanDerWaalsContact C-N 3.32Å; V292-T294 PolarHBondContact O-N 2.92Å
293K25.5Very low31.6Very low191 Ų191130.2 Ų130.283%0.8373%0.73SS**  trans-55.8109.6162.5-87.5-178.6173.4-178.10103.8R291 S295R291-K293 VanDerWaalsContact C-N 3.35Å; R291-K293 PolarHBondContact O-N 2.74Å; K293-S295 PolarHBondContact O-N 2.93Å
294T28.1Very low33.2Very low134 Ų134126.2 Ų126.282%0.82271%0.709SS**  trans-60.986.6162.937.40000105.9V292V292-T294 VanDerWaalsContact C-N 3.32Å; V292-T294 PolarHBondContact O-N 2.92Å
295S29.9Very low34.9Very low86 Ų86121.7 Ų121.760%0.60169%0.691SS**  trans-57136.2160.944.80000107K293K293-S295 PolarHBondContact O-N 2.93Å
296E29.9Very low36.8Very low175 Ų175121.3 Ų121.382%0.81867%0.673SS**  trans-49.9134.2171-70.7177.5146.600109T298E296-T298 PolarHBondContact O-N 3.49Å
297P34Very low39Very low82 Ų82117.4 Ų117.453%0.53264%0.638SS.*  trans-59.7112.3-179.523.6-31000108.1
298T33.3Very low40.8Very low97 Ų97112.5 Ų112.560%0.59561%0.608SS**  trans-62.3136.6174-34.10000107.4E296 G300 Q301E296-T298 PolarHBondContact O-N 3.49Å; T298-G300 PolarHBondContact O-N 3.46Å; T298-Q301 PolarHBondContact O-N 2.92Å
299A30.7Very low42.5Very low111 Ų111109.7 Ų109.792%0.91759%0.587SS**THydrogen-bonded Turntrans-50.7108174.200000109.1
300G35.9Very low44.1Very low86 Ų86106.6 Ų106.689%0.88757%0.571SS**THydrogen-bonded Turntrans123.3-15.7-170.500000115.4T298 L302T298-G300 PolarHBondContact O-N 3.46Å; G300-L302 PolarHBondContact O-N 2.93Å
301Q41.2Very low45.4Very low111 Ų11199 Ų9952%0.51954%0.544SS..  trans-79.9109.4169.3-78.6-173.6-1600110.1T298 H303T298-Q301 PolarHBondContact O-N 2.92Å; Q301-H303 PolarHBondContact O-N 2.92Å
302L51.4Low46.3Very low57 Ų5790 Ų9030%0.29853%0.526SS..  trans-49.7108.8171.4-160.6126.6000108.9G300 W304 Y307 L339 I347G300-L302 PolarHBondContact O-N 2.93Å; L302-W304 HydrophobicContact CD2-CB 4.47Å; L302-W304 PolarHBondContact O-N 3.11Å; L302-Y307 HydrophobicContact CD2-CE2 4.44Å; L302-L339 HydrophobicContact CD2-CB 4.11Å; L302-L339 HydrophobicContact CD2-CD1 3.58Å; L302-L339 HydrophobicContact CD2-CG 4.5Å; L302-I347 HydrophobicContact CD1-CB 4.28Å; L302-I347 HydrophobicContact CD1-CD1 3.91Å; L302-I347 HydrophobicContact CD1-CG2 3.39Å; L302-I347 HydrophobicContact CD2-CD1 4.19Å; L302-I347 HydrophobicContact CG-CD1 4.43Å; L302-I347 HydrophobicContact CG-CG2 3.98Å
303H60.4Low47.1Very low97 Ų9790.7 Ų90.745%0.44952%0.519SS..  trans-74.969.8-177.5-168.6-88.8000109.4Q301 A305 Q306Q301-H303 PolarHBondContact O-N 2.92Å; H303-A305 PolarHBondContact O-N 3.31Å; H303-Q306 WeakPolarHBondContact O-CB 3.48Å; H303-Q306 WeakPolarHBondContact O-CG 3.47Å; H303-Q306 PolarHBondContact O-N 3.2Å
304W63Low48Very low74 Ų7484.8 Ų84.828%0.2851%0.512SS..G310 helixtrans-47.8-31.4-174.959.9-93.8000112.7L302 Q306 Y307 A308 F317 L332 F335 Q336 L339L302-W304 HydrophobicContact CD2-CB 4.47Å; L302-W304 PolarHBondContact O-N 3.11Å; W304-Q306 PolarHBondContact O-N 3.14Å; W304-Q306 VanDerWaalsContact O-N 3.11Å; W304-Y307 CarbonylContact O-C 3.52Å; W304-Y307 PolarHBondContact O-N 3.42Å; W304-A308 HydrophobicContact CE3-CB 4.1Å; W304-A308 HydrophobicContact CZ3-CB 4.27Å; W304-A308 PolarHBondContact O-N 3.16Å; W304-A308 VanDerWaalsContact O-N 3.14Å; W304-F317 HydrophobicContact CZ3-CD1 4.38Å; W304-F317 HydrophobicContact CZ3-CE1 4.18Å; W304-L332 HydrophobicContact CD2-CD2 4.04Å; W304-L332 HydrophobicContact CE3-CD2 3.73Å; W304-L332 HydrophobicContact CH2-CD1 4.32Å; W304-L332 HydrophobicContact CH2-CD2 3.47Å; W304-L332 VanDerWaalsContact CH2-CD2 3.47Å; W304-L332 HydrophobicContact CZ2-CD1 4.04Å; W304-L332 HydrophobicContact CZ2-CD2 3.77Å; W304-L332 HydrophobicContact CZ3-CD2 3.45Å; W304-L332 VanDerWaalsContact CZ3-CD2 3.45Å; W304-F335 HydrophobicContact CB-CD1 4.18Å; W304-F335 HydrophobicContact CB-CE1 4.01Å; W304-F335 HydrophobicContact CE3-CD1 4.28Å; W304-F335 HydrophobicContact CE3-CE1 4.3Å; W304-F335 WeakPolarHBondContact O-CE1 3.43Å; W304-Q336 HydrophobicContact CB-CG 4.41Å; W304-L339 HydrophobicContact CB-CD1 4.07Å
305A61.6Low49Very low46 Ų4685.2 Ų85.238%0.3851%0.505SS..G310 helixtrans-59.4-21.8177.900000113.7H303 Y307H303-A305 PolarHBondContact O-N 3.31Å; A305-Y307 VanDerWaalsContact C-N 3.31Å
306Q66.3Low49.8Very low89 Ų8981.3 Ų81.342%0.41648%0.477SS..G310 helixtrans-75-22.8174.379.5-163-15.500113.4H303 W304 K320H303-Q306 WeakPolarHBondContact O-CB 3.48Å; H303-Q306 WeakPolarHBondContact O-CG 3.47Å; H303-Q306 PolarHBondContact O-N 3.2Å; W304-Q306 PolarHBondContact O-N 3.14Å; W304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-K320 WeakPolarHBondContact O-CD 3.4Å
307Y71.4Confident51.3Low11 Ų1174.8 Ų74.84%0.04345%0.446CS..THydrogen-bonded Turntrans-102.9-3.1179-51.2-68.4000112.6L302 W304 A305 K320 L321 F335 L339 I347 L350L302-Y307 HydrophobicContact CD2-CE2 4.44Å; W304-Y307 CarbonylContact O-C 3.52Å; W304-Y307 PolarHBondContact O-N 3.42Å; A305-Y307 VanDerWaalsContact C-N 3.31Å; Y307-K320 WeakPolarHBondContact O-CB 3.46Å; Y307-K320 PolarHBondContact O-N 3.27Å; Y307-L321 HydrophobicContact CD1-CD1 3.59Å; Y307-L321 HydrophobicContact CD1-CD2 4.05Å; Y307-L321 HydrophobicContact CD1-CG 3.79Å; Y307-L321 HydrophobicContact CE1-CD1 3.98Å; Y307-L321 HydrophobicContact CE1-CD2 4.36Å; Y307-L321 HydrophobicContact CE1-CG 4.43Å; Y307-L321 HydrophobicContact CG-CD1 4.23Å; Y307-F335 WeakPolarHBondContact O-CZ 3.11Å; Y307-L339 HydrophobicContact CD2-CD1 3.78Å; Y307-L339 HydrophobicContact CD2-CD2 4.21Å; Y307-L339 HydrophobicContact CG-CD1 4.27Å; Y307-L339 HydrophobicContact CG-CD2 4.03Å; Y307-I347 HydrophobicContact CE1-CG1 4.28Å; Y307-I347 HydrophobicContact CE2-CD1 4.15Å; Y307-I347 HydrophobicContact CE2-CG1 3.9Å; Y307-I347 HydrophobicContact CE2-CG2 4.23Å; Y307-L350 HydrophobicContact CE1-CD1 4.15Å; Y307-L350 WeakPolarHBondContact OH-CD1 3.37Å
308A65.3Low52.7Low20 Ų2071.4 Ų71.417%0.16542%0.424CS..EExtended strand (participates in β ladder)trans-99.4131.4-178.800000111.4W304 F317 F335W304-A308 HydrophobicContact CE3-CB 4.1Å; W304-A308 HydrophobicContact CZ3-CB 4.27Å; W304-A308 PolarHBondContact O-N 3.16Å; W304-A308 VanDerWaalsContact O-N 3.14Å; A308-F317 HydrophobicContact CB-CB 4.14Å; A308-F317 HydrophobicContact CB-CD1 4.16Å; A308-F317 HydrophobicContact CB-CG 4.46Å; A308-F335 HydrophobicContact CB-CD1 4.47Å; A308-F335 HydrophobicContact CB-CE1 3.69Å; A308-F335 HydrophobicContact CB-CZ 3.88Å
309I60.9Low54.3Low73 Ų7366.8 Ų66.837%0.37440%0.396SS..EExtended strand (participates in β ladder)trans-105.1122.9165.9-57.1174.7000107.6A311 F317 V318 K320I309-A311 PolarHBondContact O-N 3.5Å; I309-F317 CarbonylContact O-C 3.59Å; I309-F317 WeakPolarHBondContact O-CA 3.45Å; I309-V318 HydrophobicContact CB-CB 4.33Å; I309-V318 PolarHBondContact N-O 3.34Å; I309-V318 PolarHBondContact O-N 3.29Å; I309-K320 HydrophobicContact CD1-CB 4.15Å; I309-K320 HydrophobicContact CD1-CG 4.18Å; I309-K320 HydrophobicContact CG1-CB 3.98Å; I309-K320 HydrophobicContact CG1-CG 4.27Å
310Y61.1Low56.4Low140 Ų14067.6 Ų67.655%0.54938%0.379SS..EExtended strand (participates in β ladder)trans-69.3118176.9-172.4-104.4000110.4G312 F317Y310-G312 VanDerWaalsContact C-N 3.32Å; Y310-G312 VanDerWaalsContact CE1-CA 3.49Å; Y310-G312 PolarHBondContact O-N 2.73Å; Y310-F317 HydrophobicContact CD2-CD1 4.33Å; Y310-F317 HydrophobicContact CD2-CE1 4.09Å
311A53.7Low58.2Low35 Ų3566.6 Ų66.629%0.28935%0.353SS..  trans-850.9-174.500000114.3I309 F313 S316 V318I309-A311 PolarHBondContact O-N 3.5Å; A311-F313 WeakPolarHBondContact O-CD2 3.25Å; A311-F313 PolarHBondContact O-N 2.81Å; A311-S316 WeakPolarHBondContact CB-OG 3.23Å; A311-S316 PolarHBondContact N-O 2.96Å; A311-V318 HydrophobicContact CB-CG2 3.54Å
312G42.7Very low59.4Low50 Ų5064.3 Ų64.352%0.51535%0.348SS..SBendtrans76.6-21175.600000115.7Y310Y310-G312 VanDerWaalsContact C-N 3.32Å; Y310-G312 VanDerWaalsContact CE1-CA 3.49Å; Y310-G312 PolarHBondContact O-N 2.73Å
313F42.8Very low60.1Low140 Ų14062.5 Ų62.561%0.61434%0.343SS*.SBendtrans-99.1113-179.5-72.7-84.3000111.9A311 E315 S316A311-F313 WeakPolarHBondContact O-CD2 3.25Å; A311-F313 PolarHBondContact O-N 2.81Å; F313-E315 PolarHBondContact O-N 3.25Å; F313-S316 VanDerWaalsContact O-CB 3.22Å; F313-S316 WeakPolarHBondContact O-CB 3.4Å; F313-S316 PolarHBondContact O-N 2.78Å; F313-S316 PolarHBondContact O-OG 3.46Å
314G45.1Very low59.7Low66 Ų6662.2 Ų62.268%0.6835%0.35SS*.THydrogen-bonded Turntrans60.237.3166.200000115.8S316G314-S316 PolarHBondContact O-N 3.37Å
315E48.9Very low59Low144 Ų14465.7 Ų65.767%0.67337%0.369SS*.THydrogen-bonded Turntrans6125.9-175.8-55.5-178.3163.900114F313 F317F313-E315 PolarHBondContact O-N 3.25Å; E315-F317 WeakPolarHBondContact O-CE2 3.24Å
316S47.3Very low58.7Low4 Ų464.5 Ų64.53%0.02836%0.358CS..  trans-79.3146.4178.469.60000113.6A311 F313 G314 F329A311-S316 WeakPolarHBondContact CB-OG 3.23Å; A311-S316 PolarHBondContact N-O 2.96Å; F313-S316 VanDerWaalsContact O-CB 3.22Å; F313-S316 WeakPolarHBondContact O-CB 3.4Å; F313-S316 PolarHBondContact O-N 2.78Å; F313-S316 PolarHBondContact O-OG 3.46Å; G314-S316 PolarHBondContact O-N 3.37Å; S316-F329 CarbonylContact C-O 3.3Å; S316-F329 VanDerWaalsContact CA-O 3.32Å; S316-F329 WeakPolarHBondContact CA-O 3.41Å
317F60.4Low58.4Low37 Ų3766.6 Ų66.616%0.16237%0.366CS..EExtended strand (participates in β ladder)trans-115.3142.3175-48.3-84.5000110.2W304 A308 I309 Y310 E315 P328 F329 L332W304-F317 HydrophobicContact CZ3-CD1 4.38Å; W304-F317 HydrophobicContact CZ3-CE1 4.18Å; A308-F317 HydrophobicContact CB-CB 4.14Å; A308-F317 HydrophobicContact CB-CD1 4.16Å; A308-F317 HydrophobicContact CB-CG 4.46Å; I309-F317 CarbonylContact O-C 3.59Å; I309-F317 WeakPolarHBondContact O-CA 3.45Å; Y310-F317 HydrophobicContact CD2-CD1 4.33Å; Y310-F317 HydrophobicContact CD2-CE1 4.09Å; E315-F317 WeakPolarHBondContact O-CE2 3.24Å; F317-P328 CarbonylContact O-C 3.15Å; F317-P328 WeakPolarHBondContact O-CA 3.27Å; F317-F329 PolarHBondContact N-O 3.32Å; F317-F329 PolarHBondContact O-N 3.46Å; F317-L332 HydrophobicContact CD2-CD2 4.07Å; F317-L332 HydrophobicContact CE2-CD2 3.63Å; F317-L332 HydrophobicContact CE2-CG 4.24Å; F317-L332 HydrophobicContact CZ-CD2 3.93Å
318V62.4Low58Low12 Ų1268.7 Ų68.77%0.07338%0.381CS..EExtended strand (participates in β ladder)trans-110.2141.5175.11770000107.8I309 A311 K320 G323 S326 P328I309-V318 HydrophobicContact CB-CB 4.33Å; I309-V318 PolarHBondContact N-O 3.34Å; I309-V318 PolarHBondContact O-N 3.29Å; A311-V318 HydrophobicContact CB-CG2 3.54Å; V318-K320 PolarHBondContact O-N 3.22Å; V318-G323 VanDerWaalsContact CG1-O 3.28Å; V318-G323 WeakPolarHBondContact CG1-O 3.27Å; V318-S326 WeakPolarHBondContact CG1-OG 3.45Å; V318-P328 HydrophobicContact CG2-CB 4.34Å
319C67.2Low57.9Low0 Ų069.1 Ų69.10%038%0.379CS..EExtended strand (participates in β ladder)trans-73.6118.5179.3-176.10000110.2L321 C322 G323 S326 F329 F335 H338C319-L321 PolarHBondContact O-N 3.31Å; C319-L321 PolarHBondContact SG-N 3.14Å; C319-C322 HydrophobicContact CB-CB 3.91Å; C319-C322 PolarHBondContact O-N 2.8Å; C319-G323 PolarHBondContact O-N 3.46Å; C319-S326 PolarHBondContact N-OG 2.84Å; C319-S326 PolarHBondContact O-OG 2.9Å; C319-F329 HydrophobicContact CB-CE2 4.25Å; C319-F335 HydrophobicContact CB-CE2 3.83Å; C319-H338 WeakPolarHBondContact CB-NE2 3.04Å; C319-H338 PolarHBondContact SG-NE2 3.3Å
320K75.4Confident57.6Low128 Ų12871.1 Ų71.156%0.55739%0.39SS*.THydrogen-bonded Turntrans-60.2-33.7175.7-171.9179.9178.2-174.70111.9Q306 Y307 I309 V318 G323Q306-K320 WeakPolarHBondContact O-CD 3.4Å; Y307-K320 WeakPolarHBondContact O-CB 3.46Å; Y307-K320 PolarHBondContact O-N 3.27Å; I309-K320 HydrophobicContact CD1-CB 4.15Å; I309-K320 HydrophobicContact CD1-CG 4.18Å; I309-K320 HydrophobicContact CG1-CB 3.98Å; I309-K320 HydrophobicContact CG1-CG 4.27Å; V318-K320 PolarHBondContact O-N 3.22Å; K320-G323 PolarHBondContact O-N 3.1Å
321L73.9Confident57.5Low65 Ų6567.4 Ų67.434%0.3438%0.384SS..THydrogen-bonded Turntrans-75.2-37179.6-59.4172.7000111.9Y307 C319 G323 L339 H343Y307-L321 HydrophobicContact CD1-CD1 3.59Å; Y307-L321 HydrophobicContact CD1-CD2 4.05Å; Y307-L321 HydrophobicContact CD1-CG 3.79Å; Y307-L321 HydrophobicContact CE1-CD1 3.98Å; Y307-L321 HydrophobicContact CE1-CD2 4.36Å; Y307-L321 HydrophobicContact CE1-CG 4.43Å; Y307-L321 HydrophobicContact CG-CD1 4.23Å; C319-L321 PolarHBondContact O-N 3.31Å; C319-L321 PolarHBondContact SG-N 3.14Å; L321-G323 VanDerWaalsContact C-N 3.29Å; L321-L339 HydrophobicContact CD1-CD2 4.17Å; L321-H343 WeakPolarHBondContact CB-CE1 3.42Å; L321-H343 WeakPolarHBondContact CB-ND1 3.42Å; L321-H343 HydrophobicContact CD1-CB 3.51Å
322C67.2Low57.7Low62 Ų6268.8 Ų68.842%0.41939%0.386SS..THydrogen-bonded Turntrans-77.8-14.6172.3-68.10000113.7C319 H338 H343C319-C322 HydrophobicContact CB-CB 3.91Å; C319-C322 PolarHBondContact O-N 2.8Å; C322-H338 PolarHBondContact SG-CE1 3.21Å; C322-H338 PolarHBondContact SG-NE2 3.42Å; C322-H343 PolarHBondContact SG-NE2 3.44Å
323G64.8Low58.7Low19 Ų1971.9 Ų71.920%0.19639%0.391CS..  trans86.5174.1-176.300000114.2V318 C319 K320 L321 E325 S326V318-G323 VanDerWaalsContact CG1-O 3.28Å; V318-G323 WeakPolarHBondContact CG1-O 3.27Å; C319-G323 PolarHBondContact O-N 3.46Å; K320-G323 PolarHBondContact O-N 3.1Å; L321-G323 VanDerWaalsContact C-N 3.29Å; G323-E325 PolarHBondContact O-N 3.35Å; G323-S326 WeakPolarHBondContact O-CB 3.04Å; G323-S326 PolarHBondContact O-N 3.44Å; G323-S326 VanDerWaalsContact O-N 3.14Å; G323-S326 PolarHBondContact O-OG 3.48Å
324P52.7Low59.7Low92 Ų9266.3 Ų66.360%0.59737%0.373SS*.THydrogen-bonded Turntrans-66.9-19.1-171.726.7-34.8000114.4S326P324-S326 VanDerWaalsContact C-N 3.27Å
325E46.9Very low60.7Low146 Ų14663.2 Ų63.268%0.68234%0.341SS*.THydrogen-bonded Turntrans-82.9-1.6177.4-61.7-59.9145.700113.1G323G323-E325 PolarHBondContact O-N 3.35Å
326S56.6Low61.4Low21 Ų2159.8 Ų59.815%0.14733%0.325CS..SBendtrans-73.6155.8-179.166.20000113.1V318 C319 G323 P324V318-S326 WeakPolarHBondContact CG1-OG 3.45Å; C319-S326 PolarHBondContact N-OG 2.84Å; C319-S326 PolarHBondContact O-OG 2.9Å; G323-S326 WeakPolarHBondContact O-CB 3.04Å; G323-S326 PolarHBondContact O-N 3.44Å; G323-S326 VanDerWaalsContact O-N 3.14Å; G323-S326 PolarHBondContact O-OG 3.48Å; P324-S326 VanDerWaalsContact C-N 3.27Å
327F58.8Low62.4Low134 Ų13466.2 Ų66.259%0.58835%0.352SS*.PPolyproline II helixtrans-57.6128.6-178.7-176.1-93.8000110.9F329F327-F329 VanDerWaalsContact O-CD2 3.24Å; F327-F329 WeakPolarHBondContact O-CD2 3.46Å; F327-F329 VanDerWaalsContact O-CE2 3.25Å; F327-F329 WeakPolarHBondContact O-CE2 3.46Å; F327-F329 PolarHBondContact O-N 2.84Å
328P63.7Low63.1Low54 Ų5465.5 Ų65.535%0.35135%0.349SS..PPolyproline II helixtrans-71.2123.2178.127-32.6000111F317 V318F317-P328 CarbonylContact O-C 3.15Å; F317-P328 WeakPolarHBondContact O-CA 3.27Å; V318-P328 HydrophobicContact CG2-CB 4.34Å
329F63.2Low63.4Low29 Ų2965 Ų6513%0.12735%0.346CS..BIsolated β-bridgetrans-83.8115.1174.9-62-90.3000110.2S316 F317 C319 F327 C331 F335 H338S316-F329 CarbonylContact C-O 3.3Å; S316-F329 VanDerWaalsContact CA-O 3.32Å; S316-F329 WeakPolarHBondContact CA-O 3.41Å; F317-F329 PolarHBondContact N-O 3.32Å; F317-F329 PolarHBondContact O-N 3.46Å; C319-F329 HydrophobicContact CB-CE2 4.25Å; F327-F329 VanDerWaalsContact O-CD2 3.24Å; F327-F329 WeakPolarHBondContact O-CD2 3.46Å; F327-F329 VanDerWaalsContact O-CE2 3.25Å; F327-F329 WeakPolarHBondContact O-CE2 3.46Å; F327-F329 PolarHBondContact O-N 2.84Å; F329-C331 VanDerWaalsContact C-N 3.31Å; F329-F335 HydrophobicContact CB-CB 3.83Å; F329-F335 HydrophobicContact CB-CD2 4.24Å; F329-F335 HydrophobicContact CB-CG 4.42Å; F329-F335 HydrophobicContact CD1-CB 4.19Å; F329-F335 HydrophobicContact CD1-CD2 4.45Å; F329-F335 HydrophobicContact CD2-CB 4.48Å; F329-F335 AromaticContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CD2 3.49Å; F329-F335 VanDerWaalsContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CE2 4.23Å; F329-F335 HydrophobicContact CD2-CG 4.43Å; F329-F335 AromaticContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CE2 4.43Å; F329-F335 HydrophobicContact CG-CB 3.91Å; F329-F335 AromaticContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CG 4.34Å; F329-H338 HydrophobicContact CD1-CB 4.5Å; F329-H338 HydrophobicContact CE1-CB 3.49Å; F329-H338 VanDerWaalsContact CE1-CB 3.49Å; F329-H338 AromaticContact CE1-CG 3.89Å; F329-H338 HydrophobicContact CE2-CB 4.4Å; F329-H338 AromaticContact CE2-CD2 3.82Å; F329-H338 HydrophobicContact CZ-CB 3.43Å; F329-H338 VanDerWaalsContact CZ-CB 3.43Å; F329-H338 AromaticContact CZ-CD2 3.56Å; F329-H338 AromaticContact CZ-CG 3.26Å; F329-H338 AromaticContact CZ-ND1 3.75Å
330L55.4Low63.4Low115 Ų11569.1 Ų69.160%0.60237%0.368SS*.SBendtrans-84.7-3.8176.4-67.6166.3000113.3
331C59Low63.1Low63 Ų6368.5 Ų68.543%0.42637%0.37SS..SBendtrans-139.3140.6178.863.20000110.6F329 D333 G334 F335F329-C331 VanDerWaalsContact C-N 3.31Å; C331-D333 VanDerWaalsContact C-N 3.31Å; C331-D333 PolarHBondContact O-N 2.67Å; C331-G334 PolarHBondContact O-N 3.44Å; C331-G334 PolarHBondContact SG-N 2.97Å; C331-G334 VanDerWaalsContact SG-N 3.41Å; C331-F335 PolarHBondContact O-N 2.88Å
332L56.7Low63Low63 Ų6372.3 Ų72.333%0.3338%0.384SS..Hα-helixtrans-62.9-38.5178.4-67.9174.5000111.7W304 F317 G334 F335 Q336W304-L332 HydrophobicContact CD2-CD2 4.04Å; W304-L332 HydrophobicContact CE3-CD2 3.73Å; W304-L332 HydrophobicContact CH2-CD1 4.32Å; W304-L332 HydrophobicContact CH2-CD2 3.47Å; W304-L332 VanDerWaalsContact CH2-CD2 3.47Å; W304-L332 HydrophobicContact CZ2-CD1 4.04Å; W304-L332 HydrophobicContact CZ2-CD2 3.77Å; W304-L332 HydrophobicContact CZ3-CD2 3.45Å; W304-L332 VanDerWaalsContact CZ3-CD2 3.45Å; F317-L332 HydrophobicContact CD2-CD2 4.07Å; F317-L332 HydrophobicContact CE2-CD2 3.63Å; F317-L332 HydrophobicContact CE2-CG 4.24Å; F317-L332 HydrophobicContact CZ-CD2 3.93Å; L332-G334 VanDerWaalsContact C-N 3.34Å; L332-G334 PolarHBondContact O-N 2.84Å; L332-F335 WeakPolarHBondContact O-CB 3.35Å; L332-F335 PolarHBondContact O-N 3.13Å; L332-F335 VanDerWaalsContact O-N 3.15Å; L332-Q336 WeakPolarHBondContact O-CG 3.23Å; L332-Q336 PolarHBondContact O-N 2.87Å
333D63.6Low63.4Low116 Ų11670.1 Ų70.162%0.6237%0.368SS*.Hα-helixtrans-61.4-41.2178.8-58.3-7.3000112.3C331 F335 K337C331-D333 VanDerWaalsContact C-N 3.31Å; C331-D333 PolarHBondContact O-N 2.67Å; D333-F335 VanDerWaalsContact C-N 3.34Å; D333-K337 WeakPolarHBondContact O-CG 3.12Å; D333-K337 PolarHBondContact O-N 2.87Å
334G64.1Low63.6Low23 Ų2371.8 Ų71.824%0.23738%0.376CS..Hα-helixtrans-68-37176.500000111.9C331 L332 H338C331-G334 PolarHBondContact O-N 3.44Å; C331-G334 PolarHBondContact SG-N 2.97Å; C331-G334 VanDerWaalsContact SG-N 3.41Å; L332-G334 VanDerWaalsContact C-N 3.34Å; L332-G334 PolarHBondContact O-N 2.84Å; G334-H338 WeakPolarHBondContact O-CB 3.36Å; G334-H338 PolarHBondContact O-N 3.27Å
335F67.3Low64.4Low0 Ų070.6 Ų70.60%037%0.374CS..Hα-helixtrans-68-43.4176.3-176.6-116000112.4W304 Y307 A308 C319 F329 C331 L332 D333 H338 L339W304-F335 HydrophobicContact CB-CD1 4.18Å; W304-F335 HydrophobicContact CB-CE1 4.01Å; W304-F335 HydrophobicContact CE3-CD1 4.28Å; W304-F335 HydrophobicContact CE3-CE1 4.3Å; W304-F335 WeakPolarHBondContact O-CE1 3.43Å; Y307-F335 WeakPolarHBondContact O-CZ 3.11Å; A308-F335 HydrophobicContact CB-CD1 4.47Å; A308-F335 HydrophobicContact CB-CE1 3.69Å; A308-F335 HydrophobicContact CB-CZ 3.88Å; C319-F335 HydrophobicContact CB-CE2 3.83Å; F329-F335 HydrophobicContact CB-CB 3.83Å; F329-F335 HydrophobicContact CB-CD2 4.24Å; F329-F335 HydrophobicContact CB-CG 4.42Å; F329-F335 HydrophobicContact CD1-CB 4.19Å; F329-F335 HydrophobicContact CD1-CD2 4.45Å; F329-F335 HydrophobicContact CD2-CB 4.48Å; F329-F335 AromaticContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CD2 3.49Å; F329-F335 VanDerWaalsContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CE2 4.23Å; F329-F335 HydrophobicContact CD2-CG 4.43Å; F329-F335 AromaticContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CE2 4.43Å; F329-F335 HydrophobicContact CG-CB 3.91Å; F329-F335 AromaticContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CG 4.34Å; C331-F335 PolarHBondContact O-N 2.88Å; L332-F335 WeakPolarHBondContact O-CB 3.35Å; L332-F335 PolarHBondContact O-N 3.13Å; L332-F335 VanDerWaalsContact O-N 3.15Å; D333-F335 VanDerWaalsContact C-N 3.34Å; F335-H338 WeakPolarHBondContact O-CB 3.17Å; F335-H338 PolarHBondContact O-N 3.39Å; F335-L339 HydrophobicContact CD1-CD1 4.14Å; F335-L339 HydrophobicContact CE1-CD1 3.58Å; F335-L339 HydrophobicContact CE1-CG 4.24Å; F335-L339 HydrophobicContact CE2-CD2 4.45Å; F335-L339 HydrophobicContact CE2-CG 4.38Å; F335-L339 HydrophobicContact CZ-CD1 3.81Å; F335-L339 HydrophobicContact CZ-CD2 4.14Å; F335-L339 HydrophobicContact CZ-CG 4.06Å; F335-L339 WeakPolarHBondContact O-CG 3.35Å; F335-L339 PolarHBondContact O-N 2.91Å
336Q63.5Low65.3Low72 Ų7268.1 Ų68.134%0.33636%0.362SS..Hα-helixtrans-61.3-46.8175.2-75178.3-6.700111.5W304 L332 H338 L339 D340W304-Q336 HydrophobicContact CB-CG 4.41Å; L332-Q336 WeakPolarHBondContact O-CG 3.23Å; L332-Q336 PolarHBondContact O-N 2.87Å; Q336-H338 PolarHBondContact O-N 3.44Å; Q336-L339 WeakPolarHBondContact O-CB 3.28Å; Q336-L339 PolarHBondContact O-N 2.81Å; Q336-D340 VanDerWaalsContact O-CG 3.3Å; Q336-D340 PolarHBondContact O-N 3.42Å
337K68.1Low65.6Low140 Ų14068 Ų6861%0.60936%0.36SS*.Hα-helixtrans-58.7-37.8174.7-75.4-178.6179.3-1740112.9D333 D340 I341D333-K337 WeakPolarHBondContact O-CG 3.12Å; D333-K337 PolarHBondContact O-N 2.87Å; K337-D340 PolarHBondContact O-N 3.44Å; K337-I341 WeakPolarHBondContact O-CB 3.14Å; K337-I341 WeakPolarHBondContact O-CD1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.48Å; K337-I341 PolarHBondContact O-N 3.47Å
338H75.9Confident65.9Low22 Ų2266.3 Ų66.310%0.10237%0.365CS..Hα-helixtrans-63.4-44.4175164.972.6000111.7C319 C322 F329 G334 F335 Q336 I341 F342 H343C319-H338 WeakPolarHBondContact CB-NE2 3.04Å; C319-H338 PolarHBondContact SG-NE2 3.3Å; C322-H338 PolarHBondContact SG-CE1 3.21Å; C322-H338 PolarHBondContact SG-NE2 3.42Å; F329-H338 HydrophobicContact CD1-CB 4.5Å; F329-H338 HydrophobicContact CE1-CB 3.49Å; F329-H338 VanDerWaalsContact CE1-CB 3.49Å; F329-H338 AromaticContact CE1-CG 3.89Å; F329-H338 HydrophobicContact CE2-CB 4.4Å; F329-H338 AromaticContact CE2-CD2 3.82Å; F329-H338 HydrophobicContact CZ-CB 3.43Å; F329-H338 VanDerWaalsContact CZ-CB 3.43Å; F329-H338 AromaticContact CZ-CD2 3.56Å; F329-H338 AromaticContact CZ-CG 3.26Å; F329-H338 AromaticContact CZ-ND1 3.75Å; G334-H338 WeakPolarHBondContact O-CB 3.36Å; G334-H338 PolarHBondContact O-N 3.27Å; F335-H338 WeakPolarHBondContact O-CB 3.17Å; F335-H338 PolarHBondContact O-N 3.39Å; Q336-H338 PolarHBondContact O-N 3.44Å; H338-I341 PolarHBondContact O-N 3.3Å; H338-F342 AromaticContact ND1-CD2 3.37Å; H338-F342 WeakPolarHBondContact ND1-CD2 3.44Å; H338-F342 AromaticContact ND1-CG 3.99Å; H338-F342 WeakPolarHBondContact O-CB 3.27Å; H338-F342 WeakPolarHBondContact O-CD2 3.44Å; H338-F342 PolarHBondContact O-N 3.26Å; H338-H343 AromaticContact CE1-CD2 3.91Å; H338-H343 AromaticContact CE1-NE2 3.71Å; H338-H343 AromaticContact NE2-CD2 3.5Å; H338-H343 AromaticContact NE2-NE2 3.42Å; H338-H343 PolarHBondContact NE2-NE2 2.92Å
339L67.5Low65.6Low0 Ų072.3 Ų72.30%039%0.385CS..Hα-helixtrans-61.1-44.4175-69.9178.1000111.9L302 W304 Y307 L321 F335 Q336 I341 H343 S344 I347L302-L339 HydrophobicContact CD2-CB 4.11Å; L302-L339 HydrophobicContact CD2-CD1 3.58Å; L302-L339 HydrophobicContact CD2-CG 4.5Å; W304-L339 HydrophobicContact CB-CD1 4.07Å; Y307-L339 HydrophobicContact CD2-CD1 3.78Å; Y307-L339 HydrophobicContact CD2-CD2 4.21Å; Y307-L339 HydrophobicContact CG-CD1 4.27Å; Y307-L339 HydrophobicContact CG-CD2 4.03Å; L321-L339 HydrophobicContact CD1-CD2 4.17Å; F335-L339 HydrophobicContact CD1-CD1 4.14Å; F335-L339 HydrophobicContact CE1-CD1 3.58Å; F335-L339 HydrophobicContact CE1-CG 4.24Å; F335-L339 HydrophobicContact CE2-CD2 4.45Å; F335-L339 HydrophobicContact CE2-CG 4.38Å; F335-L339 HydrophobicContact CZ-CD1 3.81Å; F335-L339 HydrophobicContact CZ-CD2 4.14Å; F335-L339 HydrophobicContact CZ-CG 4.06Å; F335-L339 WeakPolarHBondContact O-CG 3.35Å; F335-L339 PolarHBondContact O-N 2.91Å; Q336-L339 WeakPolarHBondContact O-CB 3.28Å; Q336-L339 PolarHBondContact O-N 2.81Å; L339-I341 PolarHBondContact O-N 3Å; L339-H343 HydrophobicContact CD2-CB 4.34Å; L339-H343 CarbonylContact O-C 3.57Å; L339-H343 VanDerWaalsContact O-CA 3.27Å; L339-H343 WeakPolarHBondContact O-CA 3.25Å; L339-H343 WeakPolarHBondContact O-CB 3.2Å; L339-H343 PolarHBondContact O-N 3.04Å; L339-S344 PolarHBondContact O-N 3.28Å; L339-I347 HydrophobicContact CB-CD1 3.66Å; L339-I347 HydrophobicContact CD2-CD1 4.13Å; L339-I347 HydrophobicContact CG-CD1 4.33Å
340D67.3Low65Low88 Ų8879.3 Ų79.347%0.47142%0.423SS..Hα-helixtrans-66.5-38.3-179.7-63.6-22.8000112.5Q336 K337 S344Q336-D340 VanDerWaalsContact O-CG 3.3Å; Q336-D340 PolarHBondContact O-N 3.42Å; K337-D340 PolarHBondContact O-N 3.44Å; D340-S344 WeakPolarHBondContact O-CB 3.03Å; D340-S344 PolarHBondContact O-OG 3.23Å
341I68.4Low65.5Low115 Ų11577.5 Ų77.559%0.5941%0.414SS*.Hα-helixtrans-80.6-47-176.9-66.6167.6000111.5K337 H338 L339K337-I341 WeakPolarHBondContact O-CB 3.14Å; K337-I341 WeakPolarHBondContact O-CD1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.48Å; K337-I341 PolarHBondContact O-N 3.47Å; H338-I341 PolarHBondContact O-N 3.3Å; L339-I341 PolarHBondContact O-N 3Å
342F72.2Confident65.9Low144 Ų14478.3 Ų78.363%0.63241%0.413SS*.Hα-helixtrans-100.6-24.8-168.5-65.8-82.4000113.5H338H338-F342 AromaticContact ND1-CD2 3.37Å; H338-F342 WeakPolarHBondContact ND1-CD2 3.44Å; H338-F342 AromaticContact ND1-CG 3.99Å; H338-F342 WeakPolarHBondContact O-CB 3.27Å; H338-F342 WeakPolarHBondContact O-CD2 3.44Å; H338-F342 PolarHBondContact O-N 3.26Å
343H76.8Confident66.4Low17 Ų1779.1 Ų79.18%0.07942%0.418CS..SBendtrans-123.77.9-173.6-62.6-71000113.4L321 C322 H338 L339 A345 E346 I347L321-H343 WeakPolarHBondContact CB-CE1 3.42Å; L321-H343 WeakPolarHBondContact CB-ND1 3.42Å; L321-H343 HydrophobicContact CD1-CB 3.51Å; C322-H343 PolarHBondContact SG-NE2 3.44Å; H338-H343 AromaticContact CE1-CD2 3.91Å; H338-H343 AromaticContact CE1-NE2 3.71Å; H338-H343 AromaticContact NE2-CD2 3.5Å; H338-H343 AromaticContact NE2-NE2 3.42Å; H338-H343 PolarHBondContact NE2-NE2 2.92Å; L339-H343 HydrophobicContact CD2-CB 4.34Å; L339-H343 CarbonylContact O-C 3.57Å; L339-H343 VanDerWaalsContact O-CA 3.27Å; L339-H343 WeakPolarHBondContact O-CA 3.25Å; L339-H343 WeakPolarHBondContact O-CB 3.2Å; L339-H343 PolarHBondContact O-N 3.04Å; H343-A345 PolarHBondContact O-N 3.04Å; H343-A345 VanDerWaalsContact O-N 3.13Å; H343-E346 IonicContact CE1-OE2 3.7Å; H343-E346 IonicContact CG-OE2 3.76Å; H343-E346 IonicContact ND1-OE2 2.81Å; H343-E346 PolarHBondContact ND1-OE2 2.99Å; H343-E346 PolarHBondContact O-N 3.21Å; H343-I347 HydrophobicContact CB-CD1 3.95Å; H343-I347 HydrophobicContact CB-CG1 4.24Å; H343-I347 WeakPolarHBondContact O-CG1 3.39Å; H343-I347 PolarHBondContact O-N 2.92Å
344S68.1Low66.5Low54 Ų5476.9 Ų76.938%0.37841%0.406SS..Hα-helixtrans-53.6-38.1178.442.30000112.5L339 D340 I347 S348L339-S344 PolarHBondContact O-N 3.28Å; D340-S344 WeakPolarHBondContact O-CB 3.03Å; D340-S344 PolarHBondContact O-OG 3.23Å; S344-I347 PolarHBondContact O-N 3.3Å; S344-S348 VanDerWaalsContact O-CB 3.25Å; S344-S348 WeakPolarHBondContact O-CB 3.32Å; S344-S348 PolarHBondContact O-N 3.45Å; S344-S348 PolarHBondContact O-OG 2.93Å
345A70.1Confident66.7Low66 Ų6680.3 Ų80.355%0.54542%0.417SS..Hα-helixtrans-68.7-30.4176.600000113.9H343 K349H343-A345 PolarHBondContact O-N 3.04Å; H343-A345 VanDerWaalsContact O-N 3.13Å; A345-K349 WeakPolarHBondContact O-CD 3.5Å; A345-K349 WeakPolarHBondContact O-CE 3.27Å; A345-K349 VanDerWaalsContact O-CG 3.32Å; A345-K349 WeakPolarHBondContact O-CG 3.49Å
346E65.3Low66.6Low94 Ų9485.7 Ų85.744%0.43945%0.445SS..Hα-helixtrans-80.9-34.9175.5-68.9-177.6156.200111.3H343 K349H343-E346 IonicContact CE1-OE2 3.7Å; H343-E346 IonicContact CG-OE2 3.76Å; H343-E346 IonicContact ND1-OE2 2.81Å; H343-E346 PolarHBondContact ND1-OE2 2.99Å; H343-E346 PolarHBondContact O-N 3.21Å; E346-K349 PolarHBondContact O-N 3Å
347I63.9Low66.9Low20 Ų2086.6 Ų86.610%0.10345%0.452CS..Hα-helixtrans-75.3-33.9179.9-57.9164.8000111L302 Y307 L339 H343 S344 K349 L350L302-I347 HydrophobicContact CD1-CB 4.28Å; L302-I347 HydrophobicContact CD1-CD1 3.91Å; L302-I347 HydrophobicContact CD1-CG2 3.39Å; L302-I347 HydrophobicContact CD2-CD1 4.19Å; L302-I347 HydrophobicContact CG-CD1 4.43Å; L302-I347 HydrophobicContact CG-CG2 3.98Å; Y307-I347 HydrophobicContact CE1-CG1 4.28Å; Y307-I347 HydrophobicContact CE2-CD1 4.15Å; Y307-I347 HydrophobicContact CE2-CG1 3.9Å; Y307-I347 HydrophobicContact CE2-CG2 4.23Å; L339-I347 HydrophobicContact CB-CD1 3.66Å; L339-I347 HydrophobicContact CD2-CD1 4.13Å; L339-I347 HydrophobicContact CG-CD1 4.33Å; H343-I347 HydrophobicContact CB-CD1 3.95Å; H343-I347 HydrophobicContact CB-CG1 4.24Å; H343-I347 WeakPolarHBondContact O-CG1 3.39Å; H343-I347 PolarHBondContact O-N 2.92Å; S344-I347 PolarHBondContact O-N 3.3Å; I347-K349 PolarHBondContact O-N 3Å; I347-L350 PolarHBondContact O-N 3.02Å
348S63.9Low66.8Low98 Ų9882.5 Ų82.569%0.68544%0.44SS*.THydrogen-bonded Turntrans-72-4.9176-54.80000113.9S344S344-S348 VanDerWaalsContact O-CB 3.25Å; S344-S348 WeakPolarHBondContact O-CB 3.32Å; S344-S348 PolarHBondContact O-N 3.45Å; S344-S348 PolarHBondContact O-OG 2.93Å
349K58.4Low66Low179 Ų17987.6 Ų87.678%0.77847%0.468SS*.THydrogen-bonded Turntrans-94.9-3.8176.1-71.9173.6-175.9179.30113.2A345 E346 I347A345-K349 WeakPolarHBondContact O-CD 3.5Å; A345-K349 WeakPolarHBondContact O-CE 3.27Å; A345-K349 VanDerWaalsContact O-CG 3.32Å; A345-K349 WeakPolarHBondContact O-CG 3.49Å; E346-K349 PolarHBondContact O-N 3Å; I347-K349 PolarHBondContact O-N 3Å
350L50.5Low65.9Low176 Ų17695.5 Ų95.592%0.92151%0.511SS*.  trans-104.90176.2-71.3161.2000109.4Y307 I347Y307-L350 HydrophobicContact CE1-CD1 4.15Å; Y307-L350 WeakPolarHBondContact OH-CD1 3.37Å; I347-L350 PolarHBondContact O-N 3.02Å

Retrieved 350 of 350 residues in 449.7 ms (Link to these results)