A0A3Q0KSV7_SCHMA Loading...

Putative cyclin fold protein

AlphaFold DB , UniProt , Accession A0A3Q0KSV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36.2Very low35.4Very low240 Ų240145.5 Ų145.5100%1.18283%0.826SS**  097.60-73.9167.4171.200105.8
2G34Very low35.2Very low71 Ų71142.8 Ų142.873%0.73282%0.823SS**  trans-108.5107.2176.700000108
3N40.8Very low35.5Very low134 Ų134145.1 Ų145.172%0.71782%0.821SS**  trans-83.8113.7167.1-75.9-8.6000106.9C5N3-C5 PolarHBondContact O-N 2.88Å
4F34.6Very low35.4Very low209 Ų209145.4 Ų145.492%0.91782%0.82SS**  trans-67.7110.1167.1-88.1-96.2000108.2
5C34.6Very low35.5Very low96 Ų96149.4 Ų149.465%0.64983%0.825SS**  trans-79.6125.9168.2-178.80000109.5N3 C7N3-C5 PolarHBondContact O-N 2.88Å; C5-C7 PolarHBondContact O-N 3.08Å
6A31.9Very low35.2Very low99 Ų99147.5 Ų147.582%0.81882%0.822SS**  trans-91.125.8-170.100000114.6
7C38.5Very low35.1Very low106 Ų106150.6 Ų150.672%0.71683%0.832SS**  trans-111.18.1-167.4-77.90000117.6C5 A9C5-C7 PolarHBondContact O-N 3.08Å; C7-A9 PolarHBondContact O-N 2.85Å
8C33.5Very low35Very low122 Ų122146.2 Ų146.282%0.82483%0.826SS**  trans-100.239.5-179.6-650000115W10C8-W10 PolarHBondContact O-N 3.45Å
9A34Very low34.8Very low99 Ų99148.1 Ų148.182%0.81883%0.827SS**  trans-84.879.5172.200000111.2C7 K11C7-A9 PolarHBondContact O-N 2.85Å; A9-K11 PolarHBondContact O-N 2.78Å
10W36.5Very low34.6Very low229 Ų229146.4 Ų146.487%0.86782%0.821SS**  trans-86.7106.2166.9-81.960000109.4C8C8-W10 PolarHBondContact O-N 3.45Å
11K34.8Very low34.5Very low195 Ų195146.8 Ų146.885%0.84882%0.821SS**  trans-93.198.6167.9-125.8180-175.5-176.80107.6A9 H13A9-K11 PolarHBondContact O-N 2.78Å; K11-H13 PolarHBondContact O-N 3.34Å
12S33.2Very low34.3Very low113 Ų113140.1 Ų140.179%0.7980%0.804SS**  trans-70.1113.2167.544.10000109.3
13H38.2Very low34.4Very low173 Ų173143.6 Ų143.680%0.80181%0.805SS**  trans-122.4106.7165-118.8-76.8000108.1K11K11-H13 PolarHBondContact O-N 3.34Å
14D34.3Very low33.8Very low150 Ų150144.5 Ų144.580%0.80281%0.809SS**  trans-62.9133.9169-72.6-53.2000111.2
15K36.8Very low33.8Very low205 Ų205144.8 Ų144.889%0.89181%0.806SS**  trans-170.5140.6140.9-106.2169.7-173.1-173.70112
16P32.1Very low33.6Very low119 Ų119143.5 Ų143.577%0.77381%0.809SS**  trans-97156.3-17037.3-32.8000114.7
17M32.1Very low33.4Very low201 Ų201144.6 Ų144.699%0.9981%0.81SS**  trans44.3125.9155.7-67.9-156.8-179.700121.4
18G33.4Very low33.2Very low71 Ų71144.3 Ų144.373%0.73282%0.816SS**  trans161.194.8156.200000115.2
19E31.6Very low33.3Very low182 Ų182144.7 Ų144.785%0.8581%0.814SS**  trans47.3118.2144.2-73.6175.5156.600122.6
20T31.1Very low33.4Very low114 Ų114145.3 Ų145.370%0.69981%0.81SS**  trans45.7111.9136.461.50000119.4
21N33.1Very low33.3Very low154 Ų154141.5 Ų141.582%0.82481%0.806SS**  174140.2106.2-90.3-42000112
22A31Very low33.4Very low100 Ų100139.7 Ų139.783%0.82680%0.801SS**  trans-58.9132.2177.900000112.6
23I35.7Very low33.4Very low145 Ų145140.7 Ų140.774%0.74480%0.802SS**  trans-141.5123.7153.9-45.9177.2000110.1Y25I23-Y25 HydrophobicContact CG2-CD2 4.2Å; I23-Y25 HydrophobicContact CG2-CE2 3.76Å
24N29.1Very low33.4Very low152 Ų152136.2 Ų136.281%0.81380%0.802SS**  trans-77.5130.6179.3-150.2-3.1000109.9
25Y33.3Very low33.3Very low216 Ų216137.8 Ų137.885%0.84780%0.804SS**  trans-145.5123.4158.5-78.7-82.8000106.4I23I23-Y25 HydrophobicContact CG2-CD2 4.2Å; I23-Y25 HydrophobicContact CG2-CE2 3.76Å
26G31.8Very low33.4Very low69 Ų69135.7 Ų135.771%0.71180%0.801SS**  cis121.387.730.800000106.7
27S27.8Very low33.4Very low121 Ų121133.1 Ų133.185%0.84680%0.796SS**  trans-57.4139.1179.1-158.50000112
28A34.3Very low33.6Very low101 Ų101133.2 Ų133.284%0.83579%0.791SS**  trans-136.3108.4167.100000110.7
29V34.9Very low33.7Very low129 Ų129135.7 Ų135.778%0.78280%0.798SS**  trans-84.4148.1169.3175.80000108.6
30P35.5Very low33.6Very low113 Ų113135.5 Ų135.573%0.73480%0.797SS**  trans-90.9153-169.935-32.3000112.9
31N35.1Very low33.9Very low149 Ų149136.1 Ų136.180%0.79780%0.802SS**  trans-149.2134.5168.6-106.1-17.5000114.9
32H37.5Very low33.7Very low157 Ų157131.4 Ų131.473%0.72779%0.791SS**  trans78.999.4146.7-77.7-71.2000123.8
33V33.2Very low33.6Very low134 Ų134133.2 Ų133.281%0.81280%0.796SS**  45.9121.1113.8-174.30000120
34G38.3Very low33.2Very low78 Ų78135.3 Ų135.380%0.80480%0.802SS**  trans-163124.9154.900000110.9
35H32.4Very low33.6Very low183 Ų183133.9 Ų133.985%0.84780%0.804SS**  trans-107.2178.1-161.1-156.428.9000113.3
36I37.2Very low33.4Very low161 Ų161131.9 Ų131.983%0.82680%0.802SS**  trans95.6114.4172.3-51.4159.1000112.6
37G33.4Very low33.3Very low66 Ų66135 Ų13568%0.6881%0.812SS**  cis124.6124.935.700000105.7
38K35.8Very low33.6Very low202 Ų202133.6 Ų133.688%0.87881%0.808SS**  -175.6161.658-77.6173.8174.9175.20111.1
39S35.4Very low33.4Very low124 Ų124138.3 Ų138.387%0.86781%0.809SS**  trans97.4109.8148.568.60000120.9
40Q30.3Very low33.3Very low178 Ų178140 Ų14083%0.83281%0.814SS**  trans-99.5176171-120.4-166.310.100109.6
41P36.8Very low33Very low126 Ų126138.1 Ų138.182%0.81882%0.815SS**  cis-138.3169.949.634.6-13000113.4
42G28.2Very low33Very low56 Ų56139.5 Ų139.558%0.57782%0.821SS**  cis140.6114.416.200000107.4
43C30.1Very low32.7Very low138 Ų138137.3 Ų137.393%0.93282%0.823SS**  trans-154.4104159.9-100.30000108.9
44H27.8Very low32.4Very low188 Ų188134.4 Ų134.487%0.8782%0.821SS**  trans-87.8140.1169.7-105.5-106.6000109.2
45S35.7Very low32.1Very low122 Ų122141.1 Ų141.185%0.85382%0.824SS**  trans-147.1121.3147.9178.40000108.7
46E30.8Very low32.2Very low174 Ų174140.7 Ų140.781%0.81382%0.822SS**  trans-61.5143.4-174.4-76.2154.2108.700114.6
47C28.9Very low31.9Very low135 Ų135138.4 Ų138.491%0.91282%0.817SS**  trans-91.1105.8157.7-1140000107.8
48A33.8Very low32Very low92 Ų92143.2 Ų143.276%0.7683%0.826SS**  trans-79.3123.1170.300000110.1
49K30.4Very low31.6Very low200 Ų200138.9 Ų138.987%0.8782%0.822SS**  trans-75.6122.6164.1-68.6172.9176.6175.20107.9
50D33.5Very low31.6Very low164 Ų164140.7 Ų140.788%0.87782%0.822SS**  trans-121.9112.4155.3-83.3-38.8000108.8
51G29.3Very low31.7Very low73 Ų73139.8 Ų139.875%0.75382%0.823SS**  trans-85.5140.617000000110.2
52L34.9Very low31.8Very low179 Ų179138.9 Ų138.994%0.93782%0.816SS**  trans-136.193155.1-94160.1000107.6
53S29.5Very low32.1Very low110 Ų110144.4 Ų144.477%0.76983%0.827SS**  trans-70135.3156.9179.20000108.2
54G28.9Very low32.3Very low74 Ų74145 Ų14576%0.76382%0.816SS**  trans-164.366.7179.100000111
55Y30.6Very low32.7Very low219 Ų219142.2 Ų142.286%0.85981%0.807SS**  trans-74.6125.9161.4-78.1-89.5000108.7
56H34.1Very low32.7Very low174 Ų174142.8 Ų142.881%0.80680%0.8SS**  trans-114.2113.4162.3-121.2-70000108
57P31.3Very low33Very low113 Ų113141.3 Ų141.373%0.73480%0.798SS**  trans-92.1129.5163.326.2-14.1000109.3
58L35Very low33.3Very low166 Ų166139.4 Ų139.487%0.86979%0.786SS**  trans-108.7100.4167.6-73.6175.2000108.7
59S29Very low33.5Very low112 Ų112142.7 Ų142.778%0.78379%0.786SS**  trans-130.5121.8155.2-76.60000106.8
60N35.1Very low33.9Very low162 Ų162138.2 Ų138.287%0.86678%0.777SS**  trans-164.997.2148.8-98.8-6.9000108.2
61D33Very low34Very low159 Ų159140.7 Ų140.785%0.8578%0.776SS**  trans18156.7142.7-79.9-37000124.3
62P36.9Very low34.4Very low106 Ų106145.7 Ų145.769%0.68878%0.779SS**  trans-110.2158.3-150.239.9-29.6000112.8
63Q34.9Very low34.4Very low173 Ų173148.8 Ų148.881%0.80878%0.778SS**  trans-158.3131.2151.9-82-150.5-20.200113.6
64H35.7Very low35.2Very low149 Ų149148 Ų14869%0.6977%0.771SS**  trans88.8119.1139.6-86.5-69.5000123.5
65L36.3Very low35.6Very low131 Ų131151.2 Ų151.269%0.68677%0.77SS**  trans94.696.3130.2-75.7154.2000121.3
66N34.9Very low36.2Very low134 Ų134148.8 Ų148.872%0.71777%0.772SS**  72.8141.1112.8-94.63.6000123.6
67N36.2Very low36.3Very low142 Ų142151.2 Ų151.276%0.75977%0.774SS**  trans84.9142.2156.9-61.2-11000117.9
68S35.4Very low36.8Very low96 Ų96153.5 Ų153.567%0.67178%0.779SS**  cis177.6147.3-39.336.50000106.2
69H37.8Very low36.9Very low160 Ų160150.4 Ų150.474%0.74177%0.771SS**  trans80.1128.5160.8-85.5-47.9000123.9
70P39.7Very low37.4Very low107 Ų107156.9 Ų156.970%0.69578%0.778SS**  trans-109.3150.2162.438-26.7000113
71Y35.1Very low37.5Very low215 Ų215153.8 Ų153.884%0.84378%0.775SS**  trans-153.5144.2160.2-85-71.9000114.4
72H37.4Very low37.8Very low178 Ų178149.7 Ų149.782%0.82477%0.771SS**  trans-54.8158.2178.4-91.6-95.9000118.1
73R36.2Very low38.2Very low245 Ų245153 Ų15393%0.92578%0.776SS**  trans-158134.1137.2-129.9-177.9-166.8-176.74.3113.4
74P45.8Very low38.5Very low94 Ų94152 Ų15261%0.6178%0.777SS**  trans-114.9-174.8174.440.3-28.9000114.4
75D37.3Very low38.6Very low141 Ų141148.5 Ų148.575%0.75478%0.781SS**  trans88.3117.8157.9-61.7-31.1000121
76N42.9Very low38.9Very low168 Ų168148.7 Ų148.790%0.89879%0.79SS**  -166.5144.2109.9-104.8-26.4000116.5
77R36.3Very low39.1Very low225 Ų225146.8 Ų146.885%0.84979%0.793SS**  trans-78.7168.5-172.9-77.1170163167.5-4.4115.6
78I41Very low39.6Very low161 Ų161146 Ų14683%0.82680%0.796SS**  153.5104.1125.8-74.8154.5000107.6
79S37.7Very low39.9Very low101 Ų101147.8 Ų147.871%0.70681%0.805SS**  81.5123.471-77.90000117.9
80R38.9Very low39.9Very low247 Ų247143.4 Ų143.493%0.93280%0.803SS**  trans69.1152.1152.1-70.6177.2164.9175.8-5.2118.8
81A38.9Very low39.6Very low98 Ų98145.8 Ų145.881%0.8181%0.81SS**  cis178.5148.7-21.400000106.4
82G39Very low39.8Very low73 Ų73143.1 Ų143.175%0.75381%0.807SS**  trans117.5128.4142.800000119.8
83H44Very low39.6Very low174 Ų174142.9 Ų142.981%0.80681%0.806SS**  trans9693.2151.9-71.9-58000122.1
84N41.4Very low39.4Very low152 Ų152134.5 Ų134.581%0.81380%0.797SS**  42.7130.3113.1-59.7-10.3000121.8
85G38.4Very low38.6Very low77 Ų77138.6 Ų138.679%0.79481%0.81SS**  trans145.4119.5146.700000115.3
86P43.1Very low38.3Very low134 Ų134142.6 Ų142.687%0.8781%0.814SS**  trans-99.6167.8-170.637.8-32.2000116.3
87A38.2Very low37.7Very low94 Ų94142.3 Ų142.378%0.77781%0.813SS**  trans-17154.7170.700000120.2
88P46.2Very low37.4Very low125 Ų125139.1 Ų139.181%0.81281%0.806SS**  -152-178.177.838.8-16.1000115.7
89P41.7Very low36.8Very low134 Ų134136.3 Ų136.387%0.8780%0.8SS**  trans-99.4165.3-161.238.6-30.9000114.5
90G39Very low36.4Very low68 Ų68141 Ų14170%0.70180%0.803SS**  trans173.6109.2172.200000113.5
91D34.2Very low35.9Very low157 Ų157138.9 Ų138.984%0.8480%0.796SS**  trans52.5131.6134.6-73.6-20.4000124.1
92M37.2Very low35.7Very low160 Ų160140.8 Ų140.879%0.78880%0.797SS**  trans86.4130.3139.2-76.3-152.8-176.400121.7
93Q33.4Very low35.4Very low172 Ų172146 Ų14680%0.80480%0.799SS**  trans70.3115.7153.2-105.473.1-8.400119
94G32Very low34.8Very low70 Ų70141.4 Ų141.472%0.72280%0.798SS**  trans146.788.4139.700000116.7
95M30.6Very low34.2Very low179 Ų179141.4 Ų141.488%0.88280%0.798SS**  trans52.3112.5136.2-66.3-177165.300118.9
96R30.8Very low33.8Very low225 Ų225147.7 Ų147.785%0.84980%0.804SS**  169.893.8107.5-87.7172.3-141.1-165.15.1109.6
97D29.6Very low33.1Very low163 Ų163144.3 Ų144.387%0.87279%0.794SS**  trans-77116.2163.8-76-39.4000109.8S99D97-S99 PolarHBondContact O-N 2.89Å
98F29.3Very low32.6Very low158 Ų158148.6 Ų148.669%0.69380%0.8SS**  trans-87.186.8167.4-105-84.4000109.1Y100F98-Y100 HydrophobicContact CB-CE2 4.38Å; F98-Y100 HydrophobicContact CD1-CD2 4.39Å; F98-Y100 HydrophobicContact CD1-CE1 4.23Å; F98-Y100 AromaticContact CD1-CE2 3.54Å; F98-Y100 HydrophobicContact CD1-CE2 3.54Å; F98-Y100 AromaticContact CD1-CZ 3.45Å; F98-Y100 VanDerWaalsContact CD1-CZ 3.45Å; F98-Y100 WeakPolarHBondContact CD1-OH 3.05Å; F98-Y100 HydrophobicContact CE1-CE1 4.32Å; F98-Y100 HydrophobicContact CE1-CE2 4.26Å; F98-Y100 AromaticContact CE1-CZ 3.7Å; F98-Y100 WeakPolarHBondContact CE1-OH 3.46Å; F98-Y100 HydrophobicContact CG-CE2 4.36Å
99S28.6Very low31.7Very low101 Ų101148.4 Ų148.471%0.70680%0.802SS**  trans-93.4113.3163.958.80000109.3D97 R101D97-S99 PolarHBondContact O-N 2.89Å; S99-R101 PolarHBondContact O-N 3.26Å
100Y30.8Very low31.5Very low199 Ų199146 Ų14678%0.7879%0.794SS**  trans-82.497.4170.4-72.2-83.7000109.1F98F98-Y100 HydrophobicContact CB-CE2 4.38Å; F98-Y100 HydrophobicContact CD1-CD2 4.39Å; F98-Y100 HydrophobicContact CD1-CE1 4.23Å; F98-Y100 AromaticContact CD1-CE2 3.54Å; F98-Y100 HydrophobicContact CD1-CE2 3.54Å; F98-Y100 AromaticContact CD1-CZ 3.45Å; F98-Y100 VanDerWaalsContact CD1-CZ 3.45Å; F98-Y100 WeakPolarHBondContact CD1-OH 3.05Å; F98-Y100 HydrophobicContact CE1-CE1 4.32Å; F98-Y100 HydrophobicContact CE1-CE2 4.26Å; F98-Y100 AromaticContact CE1-CZ 3.7Å; F98-Y100 WeakPolarHBondContact CE1-OH 3.46Å; F98-Y100 HydrophobicContact CG-CE2 4.36Å
101R27.9Very low31.2Very low204 Ų204151 Ų15177%0.7780%0.798SS**  trans-85.4111.8168.1-164.2-176.9-162.1-179.56.6108S99S99-R101 PolarHBondContact O-N 3.26Å
102T34.3Very low31.3Very low138 Ų138147.3 Ų147.385%0.84778%0.783SS**  trans-128.3100.5157.425.70000108.6
103K33Very low31.4Very low183 Ų183143.1 Ų143.180%0.79677%0.77SS**  trans-59.8126.9163-78.6177.1165.4-173.60108.8
104G31.7Very low31.8Very low76 Ų76141.5 Ų141.578%0.78477%0.767SS**  trans-145.286162.300000105.7F106G104-F106 PolarHBondContact O-N 2.9Å
105D27.4Very low32.2Very low152 Ų152146.2 Ų146.281%0.81377%0.767SS**  trans-84106-175.9-155.87.2000107.9
106F31.5Very low32.6Very low209 Ų209143.9 Ų143.992%0.91776%0.756SS**  trans-135.386.9161.1-95.6-82.9000106.4G104 M108G104-F106 PolarHBondContact O-N 2.9Å; F106-M108 PolarHBondContact O-N 3.07Å
107G26.7Very low33Very low63 Ų63137.1 Ų137.165%0.64974%0.736SS**  trans-68.1114.8171.100000110.9
108M28.8Very low33.5Very low184 Ų184132.1 Ų132.191%0.90671%0.714SS**  trans-123.374.7139.9-87.1-165.3129.700106.9F106 A110F106-M108 PolarHBondContact O-N 3.07Å; M108-A110 PolarHBondContact O-N 3.15Å
109S27.6Very low34.1Very low122 Ų122128.7 Ų128.785%0.85371%0.71SS**  trans-70.583.1154.645.50000107.3
110A37.3Very low34.8Very low84 Ų84129.1 Ų129.169%0.69471%0.708SS**  trans-97.591.8157.900000106.1M108M108-A110 PolarHBondContact O-N 3.15Å
111E33.7Very low35.2Very low172 Ų172127.9 Ų127.980%0.80470%0.703SS**  trans-43.1131.8150.8-77.1-82.1132.600107.2S113E111-S113 PolarHBondContact O-N 2.96Å
112P35.9Very low35.8Very low79 Ų79123.3 Ų123.351%0.51370%0.698SS.*  trans-62.3110.4174.218-14.5000106.3D114P112-D114 PolarHBondContact O-N 2.91Å
113S38.5Very low35.8Very low73 Ų73126 Ų12651%0.5170%0.7SS.*  trans-46.2137.1174.954.80000109.1E111 F115 M116E111-S113 PolarHBondContact O-N 2.96Å; S113-F115 PolarHBondContact O-N 2.98Å; S113-M116 PolarHBondContact O-N 3.11Å
114D41.3Very low36Very low138 Ų138121 Ų12174%0.73869%0.689SS**Hα-helixtrans-46.1-22.2178.8-73.9-41.9000114P112 M116 L117 S118P112-D114 PolarHBondContact O-N 2.91Å; D114-M116 PolarHBondContact O-N 3.48Å; D114-L117 PolarHBondContact O-N 3.46Å; D114-S118 PolarHBondContact O-N 3.5Å
115F40.2Very low36.5Very low168 Ų168121.2 Ų121.274%0.73768%0.679SS**Hα-helixtrans-65.2-25.9173.1-163.7-99.4000115.8S113 S118S113-F115 PolarHBondContact O-N 2.98Å; F115-S118 PolarHBondContact O-OG 2.93Å
116M39.8Very low37.2Very low131 Ų131121.1 Ų121.165%0.64568%0.684SS**Hα-helixtrans-87.1-28.6174.5-76.1-77.3-115.500111.8S113 D114 S119S113-M116 PolarHBondContact O-N 3.11Å; D114-M116 PolarHBondContact O-N 3.48Å; M116-S119 PolarHBondContact O-OG 2.83Å
117L39.5Very low38.1Very low82 Ų82116.1 Ų116.143%0.42968%0.675SS.*Hα-helixtrans-74.7-27.8172-80.9158.4000111.5D114 S119 V120 Y121D114-L117 PolarHBondContact O-N 3.46Å; L117-S119 PolarHBondContact O-N 2.82Å; L117-V120 PolarHBondContact O-N 3.44Å; L117-V120 VanDerWaalsContact O-N 3.17Å; L117-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 PolarHBondContact O-N 2.85Å
118S39.1Very low39.4Very low58 Ų58118.6 Ų118.641%0.40667%0.673SS.*THydrogen-bonded Turntrans-70.3-11.4176.873.70000114.9D114 F115 Y121 T122D114-S118 PolarHBondContact O-N 3.5Å; F115-S118 PolarHBondContact O-OG 2.93Å; S118-Y121 CarbonylContact O-C 3.26Å; S118-Y121 VanDerWaalsContact O-C 3.26Å; S118-Y121 VanDerWaalsContact O-O 3.12Å; S118-T122 PolarHBondContact O-N 3.05Å
119S42.4Very low41Very low87 Ų87117.8 Ų117.861%0.60867%0.671SS**THydrogen-bonded Turntrans-85.1-11.8172.781.10000113.3M116 L117M116-S119 PolarHBondContact O-OG 2.83Å; L117-S119 PolarHBondContact O-N 2.82Å
120V43.7Very low42.9Very low109 Ų109116.6 Ų116.666%0.66165%0.652SS**THydrogen-bonded Turntrans-95.3-22.4172.1-166.90000110.4L117L117-V120 PolarHBondContact O-N 3.44Å; L117-V120 VanDerWaalsContact O-N 3.17Å
121Y40Very low44.7Very low174 Ų174118.5 Ų118.568%0.68265%0.647SS**SBendtrans-115.566.9170-57.9-77.9000110.1L117 S118 Q123L117-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 PolarHBondContact O-N 2.85Å; S118-Y121 CarbonylContact O-C 3.26Å; S118-Y121 VanDerWaalsContact O-C 3.26Å; S118-Y121 VanDerWaalsContact O-O 3.12Å; Y121-Q123 PolarHBondContact O-N 3.25Å
122T39.7Very low46.3Very low108 Ų108116.7 Ų116.766%0.66364%0.641SS**  trans-60.7105.7167.335.80000108.5S118 S124S118-T122 PolarHBondContact O-N 3.05Å; T122-S124 VanDerWaalsContact C-N 3.31Å; T122-S124 PolarHBondContact O-N 3.48Å
123Q33.9Very low47.7Very low193 Ų193116.6 Ų116.690%0.90264%0.642SS**  trans-60.698.1164.5-77.4178.81.200107.5Y121 S125Y121-Q123 PolarHBondContact O-N 3.25Å; Q123-S125 PolarHBondContact O-N 2.86Å; Q123-S125 VanDerWaalsContact O-N 3.07Å
124S38.2Very low48.8Very low79 Ų79118.2 Ų118.255%0.55264%0.642SS**  trans-56.5113.3171.5-47.60000108.1T122 T126T122-S124 VanDerWaalsContact C-N 3.31Å; T122-S124 PolarHBondContact O-N 3.48Å; S124-T126 PolarHBondContact O-N 2.88Å
125S41.3Very low49.7Very low81 Ų81118.6 Ų118.657%0.56663%0.633SS**  trans-43.2133.1169.925.10000110.9Q123 S127Q123-S125 PolarHBondContact O-N 2.86Å; Q123-S125 VanDerWaalsContact O-N 3.07Å; S125-S127 PolarHBondContact O-N 3.07Å
126T42.8Very low50.7Low150 Ų150117.9 Ų117.992%0.9263%0.632SS**THydrogen-bonded Turntrans-65.467-174.354.40000112.3S124S124-T126 PolarHBondContact O-N 2.88Å
127S50Low51.5Low104 Ų104117.3 Ų117.373%0.72764%0.638SS**THydrogen-bonded Turntrans-167.36.8168.865.50000115S125S125-S127 PolarHBondContact O-N 3.07Å
128N54.7Low52.2Low115 Ų115118.8 Ų118.862%0.61565%0.646SS**SBendtrans-110.8124.2-177.9-67.2-46.8000110.1Q130N128-Q130 PolarHBondContact O-N 3.11Å
129L61.6Low53.1Low167 Ų167122.4 Ų122.487%0.87466%0.661SS**  trans-51.4110.4172.7-75.3161.5000109H131L129-H131 PolarHBondContact O-N 3.36Å
130Q66.6Low53.9Low97 Ų97120.9 Ų120.945%0.45365%0.648SS.*  trans-52.4126.1177.9-170.9173.41400109.8N128 E134 R135N128-Q130 PolarHBondContact O-N 3.11Å; Q130-E134 HydrophobicContact CG-CB 3.75Å; Q130-E134 PolarHBondContact NE2-O 2.62Å; Q130-R135 HydrophobicContact CG-CG 4.11Å; Q130-R135 PolarHBondContact O-NH2 3.32Å
131H75.3Confident54.7Low124 Ų124122.1 Ų122.157%0.57465%0.647SS**  trans-63.6144.7179.5-171.2-103000109.2L129 S133 E134L129-H131 PolarHBondContact O-N 3.36Å; H131-S133 PolarHBondContact ND1-OG 3.05Å; H131-S133 PolarHBondContact O-N 3.29Å; H131-S133 VanDerWaalsContact O-N 3.12Å; H131-E134 HydrophobicContact CB-CG 4.38Å; H131-E134 WeakPolarHBondContact O-CB 3.48Å; H131-E134 PolarHBondContact O-N 2.54Å
132I68.3Low56Low134 Ų134117.5 Ų117.569%0.68765%0.645SS**G310 helixtrans-58.3-33.6-171.8-61.6170.3000111.5E134 R135I132-E134 PolarHBondContact O-N 3.32Å; I132-R135 PolarHBondContact O-N 2.82Å
133S64Low57.8Low76 Ų76113 Ų11353%0.53162%0.617SS.*G310 helixtrans-65-14.9175.966.80000114.6H131H131-S133 PolarHBondContact ND1-OG 3.05Å; H131-S133 PolarHBondContact O-N 3.29Å; H131-S133 VanDerWaalsContact O-N 3.12Å
134E61.6Low60Low107 Ų107104 Ų10450%0.557%0.574SS.*G310 helixtrans-97.8-3.8-179.1-61.4174.417900112.5Q130 H131 I132Q130-E134 HydrophobicContact CG-CB 3.75Å; Q130-E134 PolarHBondContact NE2-O 2.62Å; H131-E134 HydrophobicContact CB-CG 4.38Å; H131-E134 WeakPolarHBondContact O-CB 3.48Å; H131-E134 PolarHBondContact O-N 2.54Å; I132-E134 PolarHBondContact O-N 3.32Å
135R61.1Low62Low146 Ų146100.2 Ų100.255%0.55155%0.548SS*.SBendtrans-90.4-21.6-176.6-77.8-176-176.4147.15.9114.3Q130 I132Q130-R135 HydrophobicContact CG-CG 4.11Å; Q130-R135 PolarHBondContact O-NH2 3.32Å; I132-R135 PolarHBondContact O-N 2.82Å
136E61.3Low63.8Low154 Ų15499 Ų9972%0.7254%0.535SS*.SBendtrans-99.7132175-57.4-138.5151.900108.8D138E136-D138 PolarHBondContact O-N 3Å
137P56Low65.7Low119 Ų11992.9 Ų92.977%0.77350%0.497SS*.  trans-64104.8169.527.1-30.1000106.9D139P137-D139 PolarHBondContact O-N 3.04Å; P137-D139 VanDerWaalsContact O-N 3.12Å
138D55.7Low67Low112 Ų11290.5 Ų90.560%0.59948%0.479SS*.  trans-53.4123.9169.1-83.6-35.2000107.2E136 T140E136-D138 PolarHBondContact O-N 3Å; D138-T140 HydrophobicContact CB-CG2 3.43Å; D138-T140 VanDerWaalsContact CB-CG2 3.43Å; D138-T140 PolarHBondContact O-N 3.21Å; D138-T140 PolarHBondContact O-OG1 3.38Å
139D57.6Low68.2Low134 Ų13490.8 Ų90.872%0.71749%0.485SS*.  trans-65.534.7170.5-92.5-29.1000112.3P137 E141 A142 D143P137-D139 PolarHBondContact O-N 3.04Å; P137-D139 VanDerWaalsContact O-N 3.12Å; D139-E141 PolarHBondContact O-N 2.66Å; D139-A142 PolarHBondContact O-N 3.21Å; D139-D143 PolarHBondContact O-N 3.46Å
140T59.3Low69.2Low56 Ų5686 Ų8634%0.34446%0.457SS..THydrogen-bonded Turntrans-51.3-20.1170.849.40000113.8D138 L146 N147D138-T140 HydrophobicContact CB-CG2 3.43Å; D138-T140 VanDerWaalsContact CB-CG2 3.43Å; D138-T140 PolarHBondContact O-N 3.21Å; D138-T140 PolarHBondContact O-OG1 3.38Å; T140-L146 HydrophobicContact CG2-CB 4.34Å; T140-N147 VanDerWaalsContact O-CB 3.24Å; T140-N147 WeakPolarHBondContact O-CB 3.45Å; T140-N147 PolarHBondContact O-ND2 3.08Å
141E60.5Low69.9Low135 Ų13586.1 Ų86.163%0.63145%0.453SS*.THydrogen-bonded Turntrans-73.7-30.5176-88.7-76.8151.200112.7D139 K150D139-E141 PolarHBondContact O-N 2.66Å; E141-K150 WeakPolarHBondContact O-CE 3.32Å; E141-K150 PolarHBondContact O-NZ 3.21Å; E141-K150 IonicContact OE2-NZ 3.37Å; E141-K150 PolarHBondContact OE2-NZ 2.89Å
142A67.5Low70.4Confident77 Ų7780.2 Ų80.264%0.63643%0.426SS*.THydrogen-bonded Turntrans-98.1-42.2-172.700000113.2D139 P144D139-A142 PolarHBondContact O-N 3.21Å; A142-P144 VanDerWaalsContact O-CD 3.3Å; A142-P144 WeakPolarHBondContact O-CD 3.19Å
143D77.4Confident71Confident14 Ų1474.9 Ų74.98%0.07540%0.398CS..  trans-83.7112.8-174.9-176-0.5000112.3D139 S145 L146 N147 T296D139-D143 PolarHBondContact O-N 3.46Å; D143-S145 PolarHBondContact O-N 2.86Å; D143-S145 VanDerWaalsContact O-N 3.16Å; D143-S145 WeakPolarHBondContact OD1-CB 3.07Å; D143-S145 PolarHBondContact OD1-N 3.07Å; D143-S145 PolarHBondContact OD1-OG 3.28Å; D143-S145 VanDerWaalsContact OD1-OG 3.07Å; D143-S145 PolarHBondContact OD2-OG 2.95Å; D143-L146 HydrophobicContact CB-CB 4.45Å; D143-L146 HydrophobicContact CB-CD1 4.12Å; D143-L146 HydrophobicContact CB-CG 4.22Å; D143-L146 PolarHBondContact O-N 3.32Å; D143-N147 PolarHBondContact O-N 3.45Å; D143-T296 HydrophobicContact CB-CG2 4.04Å
144P78.9Confident71.7Confident2 Ų271.2 Ų71.21%0.01337%0.373CS..THydrogen-bonded Turntrans-65.5-15.7177.528.9-34.9000113.8A142 L146 K150 R151 L153 K368A142-P144 VanDerWaalsContact O-CD 3.3Å; A142-P144 WeakPolarHBondContact O-CD 3.19Å; P144-L146 VanDerWaalsContact C-N 3.33Å; P144-K150 HydrophobicContact CB-CB 4.31Å; P144-R151 WeakPolarHBondContact CB-O 3.08Å; P144-L153 HydrophobicContact CG-CD2 3.87Å; P144-L153 HydrophobicContact CG-CG 3.78Å; P144-K368 PolarHBondContact O-NZ 2.85Å
145S80.5Confident72.6Confident0 Ų066.5 Ų66.50%035%0.351CS..THydrogen-bonded Turntrans-76.5-21.4177.394.90000113.4D143 R293 V365 Y369D143-S145 PolarHBondContact O-N 2.86Å; D143-S145 VanDerWaalsContact O-N 3.16Å; D143-S145 WeakPolarHBondContact OD1-CB 3.07Å; D143-S145 PolarHBondContact OD1-N 3.07Å; D143-S145 PolarHBondContact OD1-OG 3.28Å; D143-S145 VanDerWaalsContact OD1-OG 3.07Å; D143-S145 PolarHBondContact OD2-OG 2.95Å; S145-R293 VanDerWaalsContact CB-CG 3.49Å; S145-R293 PolarHBondContact O-NH2 3.08Å; S145-R293 WeakPolarHBondContact OG-CG 3.35Å; S145-R293 PolarHBondContact OG-NE 2.79Å; S145-V365 VanDerWaalsContact O-CG1 3.31Å; S145-V365 WeakPolarHBondContact O-CG1 3.39Å; S145-Y369 WeakPolarHBondContact CA-OH 3.34Å
146L80.1Confident73.6Confident56 Ų5664.3 Ų64.329%0.29335%0.347SS..THydrogen-bonded Turntrans-96.8-30177.7-65.7179.1000111.3T140 D143 P144 N358T140-L146 HydrophobicContact CG2-CB 4.34Å; D143-L146 HydrophobicContact CB-CB 4.45Å; D143-L146 HydrophobicContact CB-CD1 4.12Å; D143-L146 HydrophobicContact CB-CG 4.22Å; D143-L146 PolarHBondContact O-N 3.32Å; P144-L146 VanDerWaalsContact C-N 3.33Å; L146-N358 VanDerWaalsContact CD2-ND2 3.33Å; L146-N358 WeakPolarHBondContact CD2-ND2 3.31Å
147N81.1Confident74.4Confident22 Ų2260.7 Ų60.712%0.11833%0.327CS..  trans-107.1112.9-173-164.5-33.9000112.9T140 D143 T149 K150T140-N147 VanDerWaalsContact O-CB 3.24Å; T140-N147 WeakPolarHBondContact O-CB 3.45Å; T140-N147 PolarHBondContact O-ND2 3.08Å; D143-N147 PolarHBondContact O-N 3.45Å; N147-T149 PolarHBondContact O-N 3.16Å; N147-T149 VanDerWaalsContact O-N 3.15Å; N147-T149 WeakPolarHBondContact OD1-CB 3.15Å; N147-T149 PolarHBondContact OD1-N 3.39Å; N147-T149 PolarHBondContact OD1-OG1 3.02Å; N147-K150 HydrophobicContact CB-CB 4.16Å; N147-K150 HydrophobicContact CB-CG 3.74Å; N147-K150 PolarHBondContact O-N 3.05Å
148P78.2Confident75.5Confident54 Ų5455.1 Ų55.135%0.35129%0.291SS..THydrogen-bonded Turntrans-65.5-17.9179.826.8-34.2000113.7
149T79.7Confident76.4Confident120 Ų12051.2 Ų51.274%0.73627%0.272SS*.THydrogen-bonded Turntrans-89.7-22.5-178.369.20000113.7N147N147-T149 PolarHBondContact O-N 3.16Å; N147-T149 VanDerWaalsContact O-N 3.15Å; N147-T149 WeakPolarHBondContact OD1-CB 3.15Å; N147-T149 PolarHBondContact OD1-N 3.39Å; N147-T149 PolarHBondContact OD1-OG1 3.02Å
150K83Confident77.3Confident67 Ų6753.1 Ų53.129%0.29127%0.274SS..SBendtrans-83.9130.1-178.8-62.5-80.6175.7148.40109.5E141 P144 N147 K368E141-K150 WeakPolarHBondContact O-CE 3.32Å; E141-K150 PolarHBondContact O-NZ 3.21Å; E141-K150 IonicContact OE2-NZ 3.37Å; E141-K150 PolarHBondContact OE2-NZ 2.89Å; P144-K150 HydrophobicContact CB-CB 4.31Å; N147-K150 HydrophobicContact CB-CB 4.16Å; N147-K150 HydrophobicContact CB-CG 3.74Å; N147-K150 PolarHBondContact O-N 3.05Å; K150-K368 WeakPolarHBondContact O-CE 3.37Å; K150-K368 PolarHBondContact O-NZ 3.36Å
151R82Confident78.1Confident99 Ų9953.4 Ų53.437%0.37427%0.273SS..PPolyproline II helixtrans-59.2140.3179.4-175.1177.1-126.1-159.511111.5P144 M155 Q156 S159P144-R151 WeakPolarHBondContact CB-O 3.08Å; R151-M155 HydrophobicContact CG-CB 3.37Å; R151-M155 HydrophobicContact CG-CG 4.41Å; R151-M155 HydrophobicContact CG-SD 4.44Å; R151-M155 PolarHBondContact NH1-O 3.17Å; R151-Q156 HydrophobicContact CB-CG 3.96Å; R151-Q156 HydrophobicContact CG-CG 4.03Å; R151-Q156 PolarHBondContact O-NE2 2.84Å; R151-S159 PolarHBondContact NH1-OG 2.89Å
152T83.8Confident78.8Confident0 Ų047 Ų470%024%0.244CC..PPolyproline II helixtrans-55.9149.5174.242.10000113.1F154 M155 Q156 E292 Y369 D372T152-F154 VanDerWaalsContact C-N 3.28Å; T152-F154 VanDerWaalsContact CB-CE1 3.4Å; T152-F154 HydrophobicContact CG2-CD1 4.31Å; T152-F154 HydrophobicContact CG2-CE1 3.75Å; T152-F154 PolarHBondContact O-N 2.99Å; T152-F154 WeakPolarHBondContact OG1-CE1 3.45Å; T152-F154 WeakPolarHBondContact OG1-CZ 3.09Å; T152-M155 PolarHBondContact O-N 3.5Å; T152-M155 WeakPolarHBondContact OG1-CB 3.14Å; T152-M155 VanDerWaalsContact OG1-CG 3.28Å; T152-M155 WeakPolarHBondContact OG1-CG 3.07Å; T152-Q156 WeakPolarHBondContact O-CG 3.26Å; T152-Q156 PolarHBondContact O-N 3.24Å; T152-E292 WeakPolarHBondContact CA-OE2 3.36Å; T152-E292 WeakPolarHBondContact CB-OE1 3.47Å; T152-Y369 HydrophobicContact CG2-CD1 3.69Å; T152-Y369 HydrophobicContact CG2-CD2 4.25Å; T152-Y369 HydrophobicContact CG2-CE1 3.37Å; T152-Y369 HydrophobicContact CG2-CE2 4Å; T152-Y369 HydrophobicContact CG2-CG 4.13Å; T152-D372 WeakPolarHBondContact CB-OD2 3.4Å; T152-D372 HydrophobicContact CG2-CB 4.3Å; T152-D372 WeakPolarHBondContact CG2-OD2 3.36Å; T152-D372 PolarHBondContact OG1-OD2 3.49Å
153L81Confident79.2Confident22 Ų2247.1 Ų47.112%0.11523%0.231CC..Hα-helixtrans-55.6-42.7-178.4-64.5178.6000111.8P144 M155 Q156 R157 E292 L295P144-L153 HydrophobicContact CG-CD2 3.87Å; P144-L153 HydrophobicContact CG-CG 3.78Å; L153-M155 VanDerWaalsContact C-N 3.32Å; L153-M155 PolarHBondContact O-N 2.87Å; L153-Q156 PolarHBondContact O-N 3.34Å; L153-R157 WeakPolarHBondContact O-CG 3.41Å; L153-R157 PolarHBondContact O-N 3.49Å; L153-R157 VanDerWaalsContact O-N 3.11Å; L153-E292 HydrophobicContact CB-CG 4.41Å; L153-E292 WeakPolarHBondContact CB-OE1 3.2Å; L153-E292 HydrophobicContact CD1-CB 4.32Å; L153-E292 HydrophobicContact CD1-CG 4.31Å; L153-E292 HydrophobicContact CG-CG 4.44Å; L153-E292 VanDerWaalsContact N-CD 3.32Å; L153-E292 PolarHBondContact N-OE1 3.43Å; L153-E292 PolarHBondContact N-OE2 3.24Å; L153-L295 HydrophobicContact CD1-CB 4.39Å
154F80.5Confident79.2Confident0 Ų052.2 Ų52.20%025%0.252CS..Hα-helixtrans-63.3-39.6178.471.3-91.5000112T152 S158 A219 Q223 M288 E292 D372 I373 L376T152-F154 VanDerWaalsContact C-N 3.28Å; T152-F154 VanDerWaalsContact CB-CE1 3.4Å; T152-F154 HydrophobicContact CG2-CD1 4.31Å; T152-F154 HydrophobicContact CG2-CE1 3.75Å; T152-F154 PolarHBondContact O-N 2.99Å; T152-F154 WeakPolarHBondContact OG1-CE1 3.45Å; T152-F154 WeakPolarHBondContact OG1-CZ 3.09Å; F154-S158 WeakPolarHBondContact O-CB 3.45Å; F154-S158 PolarHBondContact O-N 2.91Å; F154-S158 PolarHBondContact O-OG 3.31Å; F154-A219 HydrophobicContact CD1-CB 4.34Å; F154-A219 HydrophobicContact CD2-CB 4.17Å; F154-A219 HydrophobicContact CE1-CB 4.49Å; F154-A219 HydrophobicContact CE2-CB 4.34Å; F154-A219 HydrophobicContact CG-CB 4.15Å; F154-A219 HydrophobicContact CZ-CB 4.46Å; F154-Q223 HydrophobicContact CB-CG 3.58Å; F154-M288 HydrophobicContact CB-CE 4.47Å; F154-M288 HydrophobicContact CD1-CE 3.38Å; F154-M288 HydrophobicContact CD1-SD 4.42Å; F154-M288 HydrophobicContact CE1-CE 3.83Å; F154-M288 HydrophobicContact CE1-CG 4.19Å; F154-M288 HydrophobicContact CE1-SD 4.39Å; F154-M288 HydrophobicContact CG-CE 4.23Å; F154-E292 VanDerWaalsContact CD1-OE1 3.28Å; F154-E292 WeakPolarHBondContact CD1-OE1 3.34Å; F154-E292 PolarHBondContact N-OE1 3.09Å; F154-D372 HydrophobicContact CE1-CB 4.26Å; F154-D372 HydrophobicContact CE2-CB 4.3Å; F154-D372 HydrophobicContact CZ-CB 3.54Å; F154-I373 HydrophobicContact CE1-CG2 4.1Å; F154-I373 HydrophobicContact CZ-CG2 3.74Å; F154-L376 HydrophobicContact CD2-CD1 3.83Å; F154-L376 HydrophobicContact CD2-CD2 4.47Å; F154-L376 HydrophobicContact CD2-CG 4.48Å; F154-L376 HydrophobicContact CE2-CD1 3.59Å; F154-L376 HydrophobicContact CE2-CD2 4.26Å; F154-L376 HydrophobicContact CE2-CG 3.97Å; F154-L376 HydrophobicContact CZ-CD1 4.49Å
155M80.1Confident79Confident8 Ų854.2 Ų54.24%0.03926%0.261CS..Hα-helixtrans-71.4-33.2179.1-78.8-142.991.400112.5R151 T152 L153 S159 I162 D372 S375R151-M155 HydrophobicContact CG-CB 3.37Å; R151-M155 HydrophobicContact CG-CG 4.41Å; R151-M155 HydrophobicContact CG-SD 4.44Å; R151-M155 PolarHBondContact NH1-O 3.17Å; T152-M155 PolarHBondContact O-N 3.5Å; T152-M155 WeakPolarHBondContact OG1-CB 3.14Å; T152-M155 VanDerWaalsContact OG1-CG 3.28Å; T152-M155 WeakPolarHBondContact OG1-CG 3.07Å; L153-M155 VanDerWaalsContact C-N 3.32Å; L153-M155 PolarHBondContact O-N 2.87Å; M155-S159 PolarHBondContact O-N 2.86Å; M155-I162 HydrophobicContact CB-CD1 4.23Å; M155-I162 HydrophobicContact CE-CB 4.38Å; M155-I162 HydrophobicContact CE-CD1 3.67Å; M155-I162 HydrophobicContact CE-CG2 3.57Å; M155-I162 HydrophobicContact CG-CD1 3.97Å; M155-D372 HydrophobicContact CG-CB 4.14Å; M155-D372 HydrophobicContact SD-CB 3.86Å; M155-S375 WeakPolarHBondContact CE-OG 3.29Å
156Q81.4Confident78.8Confident100 Ų10058 Ų5847%0.46728%0.28SS..Hα-helixtrans-64-47.8174.8-67.7-17820.900110.8R151 T152 L153R151-Q156 HydrophobicContact CB-CG 3.96Å; R151-Q156 HydrophobicContact CG-CG 4.03Å; R151-Q156 PolarHBondContact O-NE2 2.84Å; T152-Q156 WeakPolarHBondContact O-CG 3.26Å; T152-Q156 PolarHBondContact O-N 3.24Å; L153-Q156 PolarHBondContact O-N 3.34Å
157R79.1Confident78.5Confident78 Ų7862.3 Ų62.329%0.29429%0.292SS..Hα-helixtrans-76.5-31-174.2-65.2174.9-172.7178.3-5.1114.1L153 H226 E301L153-R157 WeakPolarHBondContact O-CG 3.41Å; L153-R157 PolarHBondContact O-N 3.49Å; L153-R157 VanDerWaalsContact O-N 3.11Å; R157-H226 HydrophobicContact CB-CB 4.27Å; R157-E301 IonicContact CZ-OE1 3.27Å; R157-E301 IonicContact CZ-OE2 2.93Å; R157-E301 IonicContact NH1-OE1 3.93Å; R157-E301 PolarHBondContact NH1-OE1 3.31Å; R157-E301 IonicContact NH1-OE2 2.83Å; R157-E301 PolarHBondContact NH1-OE2 3.4Å; R157-E301 IonicContact NH2-OE1 3.1Å; R157-E301 PolarHBondContact NH2-OE1 3.48Å; R157-E301 IonicContact NH2-OE2 3.3Å
158S78.1Confident78.3Confident2 Ų266.1 Ų66.11%0.01431%0.31CS..THydrogen-bonded Turntrans-103.921.2-178.265.80000114F154 K160 D161 I162 H226F154-S158 WeakPolarHBondContact O-CB 3.45Å; F154-S158 PolarHBondContact O-N 2.91Å; F154-S158 PolarHBondContact O-OG 3.31Å; S158-K160 PolarHBondContact O-N 2.8Å; S158-K160 VanDerWaalsContact O-N 3.08Å; S158-D161 PolarHBondContact O-N 3.02Å; S158-I162 WeakPolarHBondContact O-CG1 3.14Å; S158-I162 PolarHBondContact O-N 2.94Å; S158-I162 WeakPolarHBondContact OG-CD1 3.32Å; S158-H226 WeakPolarHBondContact CB-ND1 3.41Å
159S75.4Confident77.9Confident29 Ų2965.4 Ų65.420%0.20330%0.303CS..Hα-helixtrans-50.8-41.9-174.6-160.50000113.2R151 M155 I162 E163R151-S159 PolarHBondContact NH1-OG 2.89Å; M155-S159 PolarHBondContact O-N 2.86Å; S159-I162 PolarHBondContact O-N 3.48Å; S159-E163 VanDerWaalsContact O-CB 3.24Å; S159-E163 WeakPolarHBondContact O-CB 3.27Å; S159-E163 WeakPolarHBondContact O-CG 3.43Å; S159-E163 PolarHBondContact O-N 3.2Å; S159-E163 PolarHBondContact OG-OE1 3.03Å
160K75.5Confident77.5Confident175 Ų17568.9 Ų68.976%0.76130%0.302SS*.Hα-helixtrans-63.8-46.1179.1-67.3-177.4-179.71770113.1S158 I162 K164S158-K160 PolarHBondContact O-N 2.8Å; S158-K160 VanDerWaalsContact O-N 3.08Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-K164 WeakPolarHBondContact O-CB 3.25Å; K160-K164 PolarHBondContact O-N 3.09Å
161D76.5Confident77Confident61 Ų6169.3 Ų69.333%0.32631%0.311SS..Hα-helixtrans-67.5-39.5179.9-82.5-5000110.8S158 K164 K165 K225 H226S158-D161 PolarHBondContact O-N 3.02Å; D161-K164 PolarHBondContact O-N 3.02Å; D161-K165 WeakPolarHBondContact O-CB 3.45Å; D161-K165 PolarHBondContact O-N 3.07Å; D161-K225 IonicContact OD2-NZ 2.71Å; D161-H226 IonicContact OD2-CE1 3.07Å; D161-H226 PolarHBondContact OD2-CE1 3.36Å; D161-H226 IonicContact OD2-NE2 3.15Å; D161-H226 PolarHBondContact OD2-NE2 3.47Å
162I74.8Confident76.3Confident2 Ų269.1 Ų69.11%0.0131%0.313CS..Hα-helixtrans-68.9-46.4177.2-62.6167.9000111M155 S158 S159 K160 K164 K165 I166 L376M155-I162 HydrophobicContact CB-CD1 4.23Å; M155-I162 HydrophobicContact CE-CB 4.38Å; M155-I162 HydrophobicContact CE-CD1 3.67Å; M155-I162 HydrophobicContact CE-CG2 3.57Å; M155-I162 HydrophobicContact CG-CD1 3.97Å; S158-I162 WeakPolarHBondContact O-CG1 3.14Å; S158-I162 PolarHBondContact O-N 2.94Å; S158-I162 WeakPolarHBondContact OG-CD1 3.32Å; S159-I162 PolarHBondContact O-N 3.48Å; K160-I162 VanDerWaalsContact C-N 3.35Å; I162-K164 VanDerWaalsContact C-N 3.27Å; I162-K164 PolarHBondContact O-N 3.25Å; I162-K165 CarbonylContact O-C 3.58Å; I162-K165 WeakPolarHBondContact O-CB 3.35Å; I162-K165 PolarHBondContact O-N 3.49Å; I162-K165 VanDerWaalsContact O-N 3.09Å; I162-I166 HydrophobicContact CG2-CD1 3.7Å; I162-I166 HydrophobicContact CG2-CG1 4.17Å; I162-I166 WeakPolarHBondContact O-CG1 3.19Å; I162-I166 PolarHBondContact O-N 2.97Å; I162-L376 HydrophobicContact CD1-CD2 3.71Å; I162-L376 HydrophobicContact CG1-CD2 3.55Å
163E75.2Confident75.4Confident78 Ų7871.8 Ų71.836%0.36432%0.323SS..Hα-helixtrans-60.7-38.4176.2-76.9166.4-145.300111.8S159 K165 R167S159-E163 VanDerWaalsContact O-CB 3.24Å; S159-E163 WeakPolarHBondContact O-CB 3.27Å; S159-E163 WeakPolarHBondContact O-CG 3.43Å; S159-E163 PolarHBondContact O-N 3.2Å; S159-E163 PolarHBondContact OG-OE1 3.03Å; E163-K165 VanDerWaalsContact C-N 3.34Å; E163-R167 VanDerWaalsContact O-CB 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.14Å; E163-R167 VanDerWaalsContact O-CG 3.27Å; E163-R167 WeakPolarHBondContact O-CG 3.44Å; E163-R167 PolarHBondContact O-N 3.42Å; E163-R167 PolarHBondContact O-NE 3.01Å; E163-R167 IonicContact OE2-NH2 3.73Å; E163-R167 PolarHBondContact OE2-NH2 3.4Å; E163-R167 VanDerWaalsContact OE2-NH2 3.08Å
164K79Confident74.7Confident122 Ų12275.5 Ų75.553%0.5334%0.343SS..Hα-helixtrans-60.2-46.9173.1-179.4-178.2173.8-173.40110.3K160 D161 I162 R167 E168K160-K164 WeakPolarHBondContact O-CB 3.25Å; K160-K164 PolarHBondContact O-N 3.09Å; D161-K164 PolarHBondContact O-N 3.02Å; I162-K164 VanDerWaalsContact C-N 3.27Å; I162-K164 PolarHBondContact O-N 3.25Å; K164-R167 WeakPolarHBondContact O-CB 3.41Å; K164-R167 PolarHBondContact O-N 3.18Å; K164-E168 WeakPolarHBondContact CE-OE1 3.34Å; K164-E168 WeakPolarHBondContact O-CG 3.46Å; K164-E168 PolarHBondContact O-N 2.98Å
165K74.7Confident73.9Confident44 Ų4486 Ų8619%0.19138%0.382CS..Hα-helixtrans-64.6-42178.9-163.9168.8-174.4168.50112.9D161 I162 E163 R167 E168 I169 L376 G378D161-K165 WeakPolarHBondContact O-CB 3.45Å; D161-K165 PolarHBondContact O-N 3.07Å; I162-K165 CarbonylContact O-C 3.58Å; I162-K165 WeakPolarHBondContact O-CB 3.35Å; I162-K165 PolarHBondContact O-N 3.49Å; I162-K165 VanDerWaalsContact O-N 3.09Å; E163-K165 VanDerWaalsContact C-N 3.34Å; K165-R167 VanDerWaalsContact C-N 3.32Å; K165-R167 PolarHBondContact O-N 2.61Å; K165-E168 PolarHBondContact O-N 2.95Å; K165-I169 HydrophobicContact CG-CD1 4.24Å; K165-I169 WeakPolarHBondContact O-CB 3.43Å; K165-I169 WeakPolarHBondContact O-CG1 3.31Å; K165-I169 PolarHBondContact O-N 3.17Å; K165-L376 WeakPolarHBondContact CE-O 3.24Å; K165-L376 PolarHBondContact NZ-O 3.2Å; K165-G378 VanDerWaalsContact CE-CA 3.46Å
166I75Confident73Confident78 Ų7888.5 Ų88.540%0.440%0.401SS..Hα-helixtrans-62.6-40.7173.6-67.9171.2000110.3I162 I169 R170I162-I166 HydrophobicContact CG2-CD1 3.7Å; I162-I166 HydrophobicContact CG2-CG1 4.17Å; I162-I166 WeakPolarHBondContact O-CG1 3.19Å; I162-I166 PolarHBondContact O-N 2.97Å; I166-I169 PolarHBondContact O-N 3.24Å; I166-R170 WeakPolarHBondContact O-CB 3.36Å; I166-R170 PolarHBondContact O-N 2.98Å
167R75.5Confident71.9Confident147 Ų14787 Ų8756%0.55540%0.398SS*.Hα-helixtrans-63.9-43.5174.5-80-178.3-89.1-141-6112.2E163 K164 K165 I169 R170 T171E163-R167 VanDerWaalsContact O-CB 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.14Å; E163-R167 VanDerWaalsContact O-CG 3.27Å; E163-R167 WeakPolarHBondContact O-CG 3.44Å; E163-R167 PolarHBondContact O-N 3.42Å; E163-R167 PolarHBondContact O-NE 3.01Å; E163-R167 IonicContact OE2-NH2 3.73Å; E163-R167 PolarHBondContact OE2-NH2 3.4Å; E163-R167 VanDerWaalsContact OE2-NH2 3.08Å; K164-R167 WeakPolarHBondContact O-CB 3.41Å; K164-R167 PolarHBondContact O-N 3.18Å; K165-R167 VanDerWaalsContact C-N 3.32Å; K165-R167 PolarHBondContact O-N 2.61Å; R167-I169 VanDerWaalsContact C-N 3.33Å; R167-I169 PolarHBondContact O-N 3.37Å; R167-R170 PolarHBondContact O-N 3.17Å; R167-T171 WeakPolarHBondContact O-CB 3.37Å; R167-T171 VanDerWaalsContact O-CG2 3.29Å; R167-T171 WeakPolarHBondContact O-CG2 3.34Å; R167-T171 PolarHBondContact O-N 3.37Å; R167-T171 PolarHBondContact O-OG1 2.98Å
168E75.2Confident70.7Confident103 Ų10388.2 Ų88.248%0.48142%0.416SS..Hα-helixtrans-60.8-43.4174.8-73.8171.1-175.400111.5K164 K165 T171 K172K164-E168 WeakPolarHBondContact CE-OE1 3.34Å; K164-E168 WeakPolarHBondContact O-CG 3.46Å; K164-E168 PolarHBondContact O-N 2.98Å; K165-E168 PolarHBondContact O-N 2.95Å; E168-T171 WeakPolarHBondContact CA-OG1 3.42Å; E168-T171 PolarHBondContact O-OG1 2.62Å; E168-K172 WeakPolarHBondContact O-CB 3.29Å; E168-K172 PolarHBondContact O-N 3.49Å; E168-K172 VanDerWaalsContact O-N 3.09Å
169I70.3Confident69.7Low39 Ų3997.4 Ų97.420%0.245%0.451CS..Hα-helixtrans-62.6-48.6175.7-73.1169.2000110.6K165 I166 R167 T171 K172 Y173K165-I169 HydrophobicContact CG-CD1 4.24Å; K165-I169 WeakPolarHBondContact O-CB 3.43Å; K165-I169 WeakPolarHBondContact O-CG1 3.31Å; K165-I169 PolarHBondContact O-N 3.17Å; I166-I169 PolarHBondContact O-N 3.24Å; R167-I169 VanDerWaalsContact C-N 3.33Å; R167-I169 PolarHBondContact O-N 3.37Å; I169-T171 PolarHBondContact O-N 2.98Å; I169-K172 WeakPolarHBondContact O-CB 3.44Å; I169-K172 PolarHBondContact O-N 3.28Å; I169-Y173 HydrophobicContact CB-CE2 4.44Å; I169-Y173 HydrophobicContact CG2-CD2 3.94Å; I169-Y173 HydrophobicContact CG2-CE2 3.11Å; I169-Y173 WeakPolarHBondContact CG2-OH 3.38Å; I169-Y173 WeakPolarHBondContact O-CD2 3.21Å; I169-Y173 PolarHBondContact O-N 3.06Å
170R70.6Confident68.6Low192 Ų192102.3 Ų102.373%0.72548%0.48SS*.Hα-helixtrans-63-43.5179.7-174.3175.6179.4171.90.4112.7I166 R167 K172 Y173 D174I166-R170 WeakPolarHBondContact O-CB 3.36Å; I166-R170 PolarHBondContact O-N 2.98Å; R167-R170 PolarHBondContact O-N 3.17Å; R170-K172 VanDerWaalsContact C-N 3.28Å; R170-K172 PolarHBondContact O-N 3.1Å; R170-Y173 PolarHBondContact O-N 2.88Å; R170-D174 PolarHBondContact O-N 2.95Å
171T72.4Confident67.4Low77 Ų77103.7 Ų103.747%0.47248%0.48SS..Hα-helixtrans-66-31.4177.852.10000112R167 E168 I169 R175R167-T171 WeakPolarHBondContact O-CB 3.37Å; R167-T171 VanDerWaalsContact O-CG2 3.29Å; R167-T171 WeakPolarHBondContact O-CG2 3.34Å; R167-T171 PolarHBondContact O-N 3.37Å; R167-T171 PolarHBondContact O-OG1 2.98Å; E168-T171 WeakPolarHBondContact CA-OG1 3.42Å; E168-T171 PolarHBondContact O-OG1 2.62Å; I169-T171 PolarHBondContact O-N 2.98Å; T171-R175 VanDerWaalsContact O-CG 3.31Å; T171-R175 WeakPolarHBondContact O-CG 3.42Å; T171-R175 PolarHBondContact O-N 3.2Å
172K68Low66.4Low95 Ų95108.5 Ų108.541%0.41350%0.5SS..Hα-helixtrans-66.8-39.3173.3-163177.1-172.8-172.50112.1E168 I169 R170 S176 Q382E168-K172 WeakPolarHBondContact O-CB 3.29Å; E168-K172 PolarHBondContact O-N 3.49Å; E168-K172 VanDerWaalsContact O-N 3.09Å; I169-K172 WeakPolarHBondContact O-CB 3.44Å; I169-K172 PolarHBondContact O-N 3.28Å; R170-K172 VanDerWaalsContact C-N 3.28Å; R170-K172 PolarHBondContact O-N 3.1Å; K172-S176 PolarHBondContact O-N 3.18Å; K172-Q382 VanDerWaalsContact NZ-CD 3.31Å
173Y66Low65.3Low56 Ų56116 Ų11622%0.2254%0.541CS..Hα-helixtrans-71.8-37.8176.1-59.5-49.3000113.2I169 R170 R175 S176 W198 P383I169-Y173 HydrophobicContact CB-CE2 4.44Å; I169-Y173 HydrophobicContact CG2-CD2 3.94Å; I169-Y173 HydrophobicContact CG2-CE2 3.11Å; I169-Y173 WeakPolarHBondContact CG2-OH 3.38Å; I169-Y173 WeakPolarHBondContact O-CD2 3.21Å; I169-Y173 PolarHBondContact O-N 3.06Å; R170-Y173 PolarHBondContact O-N 2.88Å; Y173-R175 PolarHBondContact O-N 3.15Å; Y173-S176 PolarHBondContact O-N 3.01Å; Y173-S176 PolarHBondContact O-OG 3.49Å; Y173-W198 HydrophobicContact CD1-CD2 4.2Å; Y173-W198 HydrophobicContact CD1-CE3 4.3Å; Y173-W198 HydrophobicContact CD1-CZ2 4.45Å; Y173-W198 HydrophobicContact CD1-CZ3 4.47Å; Y173-W198 HydrophobicContact CE1-CE3 4.35Å; Y173-P383 HydrophobicContact CE1-CG 3.54Å; Y173-P383 HydrophobicContact CE2-CG 4.44Å; Y173-P383 VanDerWaalsContact CZ-CG 3.47Å; Y173-P383 WeakPolarHBondContact OH-CD 3.45Å; Y173-P383 WeakPolarHBondContact OH-CG 3.42Å
174D65.5Low64.3Low100 Ų100118.3 Ų118.354%0.53556%0.56SS.*Hα-helixtrans-65.7-31.5177.8-16418.8000111.4R170R170-D174 PolarHBondContact O-N 2.95Å
175R63.5Low62.9Low220 Ų220116.9 Ų116.983%0.8356%0.557SS**Hα-helixtrans-71.6-25174.3-73.7178.1-177.1-168.62.2114.2T171 Y173T171-R175 VanDerWaalsContact O-CG 3.31Å; T171-R175 WeakPolarHBondContact O-CG 3.42Å; T171-R175 PolarHBondContact O-N 3.2Å; Y173-R175 PolarHBondContact O-N 3.15Å
176S61.7Low61.4Low60 Ų60119.7 Ų119.742%0.4258%0.58SS.*Hα-helixtrans-85.1-8.1179.4580000113.5K172 Y173 P178 W198K172-S176 PolarHBondContact O-N 3.18Å; Y173-S176 PolarHBondContact O-N 3.01Å; Y173-S176 PolarHBondContact O-OG 3.49Å; S176-P178 WeakPolarHBondContact O-CD 3.32Å; S176-W198 WeakPolarHBondContact OG-CH2 3.5Å; S176-W198 VanDerWaalsContact OG-CZ2 3.32Å; S176-W198 WeakPolarHBondContact OG-CZ2 3.43Å
177V58.2Low60Low69 Ų69124.8 Ų124.842%0.41861%0.607SS.*SBendtrans-83.7118.8173-176.80000109.1R179V177-R179 PolarHBondContact O-N 2.97Å
178P53.1Low58.6Low103 Ų103124.2 Ų124.267%0.66961%0.614SS**  trans-59.5115.8175.6-19.330.8000109.9S176 T180S176-P178 WeakPolarHBondContact O-CD 3.32Å; P178-T180 PolarHBondContact O-N 3.42Å
179R57Low57.4Low196 Ų196128.9 Ų128.974%0.7463%0.629SS**SBendtrans-65.5-2.7177.2-76.3-173.8164.7-172.6-5.9113.8V177 R181V177-R179 PolarHBondContact O-N 2.97Å; R179-R181 PolarHBondContact O-N 3.49Å; R179-R181 VanDerWaalsContact O-N 3.07Å
180T52.8Low56.3Low132 Ų132138.2 Ų138.281%0.8166%0.662SS**THydrogen-bonded Turntrans-77.713.1-168.7-25.40000115.6P178P178-T180 PolarHBondContact O-N 3.42Å
181R50.7Low55.3Low203 Ų203132.5 Ų132.577%0.76665%0.651SS**THydrogen-bonded Turntrans-117.96177.6-81.5-164.5177.8-170.61.1116.2R179R179-R181 PolarHBondContact O-N 3.49Å; R179-R181 VanDerWaalsContact O-N 3.07Å
182Q55.1Low54.4Low162 Ų162134.8 Ų134.876%0.75767%0.67SS**SBendtrans-87.1-2.3-171.7-76-177.9-13.900116.5
183N52.2Low53.8Low160 Ų160133.7 Ų133.786%0.85667%0.674SS**SBendtrans-116.74.7-172.3-84.75.1000117.8
184T53.9Low53.5Low126 Ų126134.6 Ų134.677%0.77369%0.686SS**SBendtrans-143.76.9-176.449.20000116.9
185I49.1Very low53.4Low93 Ų93133.6 Ų133.648%0.47769%0.687SS.*  trans-105.5114.2-177.8-52.7-179.9000109L188I185-L188 HydrophobicContact CG2-CD1 4.07Å; I185-L188 HydrophobicContact CG2-CG 4.43Å
186P44.5Very low53.7Low102 Ų102127.5 Ų127.566%0.66267%0.674SS**  trans-58148.8172.225.4-30.7000108.5L188P186-L188 PolarHBondContact O-N 3.07Å
187L43.6Very low54.3Low186 Ų186128 Ų12897%0.97467%0.671SS**  trans-43.976.1-179.6-74.7151.7000113.2Y189L187-Y189 PolarHBondContact O-N 3.27Å
188L46.5Very low55Low135 Ų135128.8 Ų128.871%0.70767%0.667SS**  trans-79115.8166-71.5176.5000104.5I185 P186 R190I185-L188 HydrophobicContact CG2-CD1 4.07Å; I185-L188 HydrophobicContact CG2-CG 4.43Å; P186-L188 PolarHBondContact O-N 3.07Å; L188-R190 PolarHBondContact O-N 2.93Å; L188-R190 VanDerWaalsContact O-N 3.07Å
189Y49.6Very low55.9Low200 Ų200126.2 Ų126.278%0.78465%0.647SS**  trans-19.9113.8155.8178-97.7000109L187 S191L187-Y189 PolarHBondContact O-N 3.27Å; Y189-S191 WeakPolarHBondContact CD1-OG 3.44Å; Y189-S191 PolarHBondContact O-N 3.09Å
190R48.6Very low56.8Low236 Ų236119.3 Ų119.389%0.89162%0.623SS**  trans-65.581.5174.9-84.3-174.4169.6-170.8-1.9107.2L188 S192L188-R190 PolarHBondContact O-N 2.93Å; L188-R190 VanDerWaalsContact O-N 3.07Å; R190-S192 PolarHBondContact O-N 2.99Å
191S50.1Low58Low71 Ų71118.8 Ų118.850%0.49762%0.616SS.*  trans-55.5126.9159.5-59.10000105.7Y189 S193Y189-S191 WeakPolarHBondContact CD1-OG 3.44Å; Y189-S191 PolarHBondContact O-N 3.09Å; S191-S193 PolarHBondContact O-N 3.21Å; S191-S193 PolarHBondContact O-OG 2.96Å
192S53Low59.7Low125 Ų125109.4 Ų109.487%0.87458%0.581SS**  trans-48.177.9-177.8-44.30000111.7R190 T194R190-S192 PolarHBondContact O-N 2.99Å; S192-T194 PolarHBondContact O-N 3.25Å
193S55Low61.2Low72 Ų72104.7 Ų104.750%0.50356%0.563SS.*  trans-78.5113.9-173.1-630000106.2S191 S195 T196S191-S193 PolarHBondContact O-N 3.21Å; S191-S193 PolarHBondContact O-OG 2.96Å; S193-S195 WeakPolarHBondContact CB-OG 3.46Å; S193-S195 PolarHBondContact O-N 3.4Å; S193-T196 PolarHBondContact O-N 3.03Å
194T60.8Low63.1Low75 Ų7599 Ų9946%0.4653%0.534SS..G310 helixtrans-57.3-9.1175.848.60000113S192 T196 I197 L386S192-T194 PolarHBondContact O-N 3.25Å; T194-T196 PolarHBondContact O-N 3.39Å; T194-I197 HydrophobicContact CG2-CD1 3.79Å; T194-I197 PolarHBondContact O-N 3.12Å; T194-L386 HydrophobicContact CG2-CD2 4.27Å
195S62.3Low64.8Low80 Ų8098.9 Ų98.956%0.55953%0.533SS*.G310 helixtrans-59.7-7.317663.50000115.6S193S193-S195 WeakPolarHBondContact CB-OG 3.46Å; S193-S195 PolarHBondContact O-N 3.4Å
196T69.4Low66.8Low92 Ų92103.8 Ų103.856%0.56455%0.546SS*.G310 helixtrans-121.511.9173.860.10000113.3S193 T194 W198S193-T196 PolarHBondContact O-N 3.03Å; T194-T196 PolarHBondContact O-N 3.39Å; T196-W198 VanDerWaalsContact O-CD1 3.27Å
197I74.6Confident69Low69 Ų6999.1 Ų99.135%0.35452%0.516SS..  trans-89.4115.3178.9-56.2178.2000108.8T194 L199 L386T194-I197 HydrophobicContact CG2-CD1 3.79Å; T194-I197 PolarHBondContact O-N 3.12Å; I197-L199 HydrophobicContact CG2-CD2 3.61Å; I197-L199 HydrophobicContact CG2-CG 3.86Å; I197-L386 HydrophobicContact CB-CB 4.26Å; I197-L386 HydrophobicContact CB-CD2 4.23Å; I197-L386 HydrophobicContact CD1-CD2 4.4Å; I197-L386 HydrophobicContact CG2-CD2 4.26Å; I197-L386 WeakPolarHBondContact O-CB 3.14Å; I197-L386 PolarHBondContact O-N 3.39Å
198W72.4Confident71.3Confident87 Ų8792.6 Ų92.633%0.3348%0.482SS..EExtended strand (participates in β ladder)trans-100.8115.6176.4-67.287.8000107.8Y173 S176 T196 P383 L385Y173-W198 HydrophobicContact CD1-CD2 4.2Å; Y173-W198 HydrophobicContact CD1-CE3 4.3Å; Y173-W198 HydrophobicContact CD1-CZ2 4.45Å; Y173-W198 HydrophobicContact CD1-CZ3 4.47Å; Y173-W198 HydrophobicContact CE1-CE3 4.35Å; S176-W198 WeakPolarHBondContact OG-CH2 3.5Å; S176-W198 VanDerWaalsContact OG-CZ2 3.32Å; S176-W198 WeakPolarHBondContact OG-CZ2 3.43Å; T196-W198 VanDerWaalsContact O-CD1 3.27Å; W198-P383 HydrophobicContact CB-CB 3.75Å; W198-P383 HydrophobicContact CB-CG 3.78Å; W198-P383 HydrophobicContact CE3-CB 4.47Å; W198-P383 HydrophobicContact CE3-CG 4.13Å; W198-P383 HydrophobicContact CG-CG 4.44Å; W198-L385 HydrophobicContact CD2-CD1 4.33Å; W198-L385 HydrophobicContact CE3-CB 4.49Å; W198-L385 HydrophobicContact CZ2-CD1 4.29Å; W198-L385 HydrophobicContact CZ3-CB 4.39Å
199L73.6Confident73.5Confident49 Ų4989.5 Ų89.526%0.25747%0.47SS..EExtended strand (participates in β ladder)trans-113.3150-178-64.2-172.7000111.7I197 P383 T384 L386 R390 L394I197-L199 HydrophobicContact CG2-CD2 3.61Å; I197-L199 HydrophobicContact CG2-CG 3.86Å; L199-P383 WeakPolarHBondContact O-CA 3.46Å; L199-T384 PolarHBondContact N-O 3.47Å; L199-T384 PolarHBondContact O-N 3.35Å; L199-T384 PolarHBondContact O-OG1 3.23Å; L199-L386 HydrophobicContact CD1-CD1 3.75Å; L199-L386 HydrophobicContact CD1-CD2 4.28Å; L199-L386 HydrophobicContact CD1-CG 4.42Å; L199-R390 PolarHBondContact O-NH1 2.87Å; L199-L394 HydrophobicContact CD1-CD1 3.44Å; L199-L394 VanDerWaalsContact CD1-CD1 3.44Å
200H75Confident75.5Confident50 Ų5087.3 Ų87.323%0.23146%0.464CS..  trans-111.9148.6167.5-68.8-70000108.8S202 R374 Y381 P383 R390H200-S202 PolarHBondContact O-N 3.43Å; H200-R374 PolarHBondContact CD2-NH2 2.84Å; H200-Y381 HydrophobicContact CB-CE1 3.68Å; H200-Y381 AromaticContact CD2-CE1 3.88Å; H200-Y381 AromaticContact CE1-CD1 3.12Å; H200-Y381 WeakPolarHBondContact CE1-CD1 3.1Å; H200-Y381 AromaticContact CE1-CE1 3.43Å; H200-Y381 VanDerWaalsContact CE1-CE1 3.43Å; H200-Y381 WeakPolarHBondContact CE1-CE1 3.24Å; H200-Y381 AromaticContact CE1-CG 3.99Å; H200-Y381 PolarHBondContact CE1-O 2.98Å; H200-Y381 AromaticContact CG-CD1 3.87Å; H200-Y381 AromaticContact CG-CE1 3.3Å; H200-Y381 AromaticContact ND1-CD1 3.23Å; H200-Y381 WeakPolarHBondContact ND1-CD1 3.45Å; H200-Y381 AromaticContact ND1-CE1 3.01Å; H200-Y381 WeakPolarHBondContact ND1-CE1 2.97Å; H200-Y381 AromaticContact ND1-CZ 3.75Å; H200-Y381 AromaticContact NE2-CD1 3.74Å; H200-Y381 AromaticContact NE2-CE1 3.95Å; H200-P383 WeakPolarHBondContact CE1-CA 3.24Å; H200-P383 VanDerWaalsContact CE1-CB 3.45Å; H200-P383 WeakPolarHBondContact CE1-CB 3.31Å; H200-P383 WeakPolarHBondContact CE1-CD 3.33Å; H200-P383 WeakPolarHBondContact ND1-CA 3.18Å; H200-R390 VanDerWaalsContact C-NH2 3.33Å; H200-R390 PolarHBondContact O-NH2 3.42Å
201D77.4Confident77.5Confident122 Ų12276.4 Ų76.465%0.65242%0.424SS*.SBendtrans-74.8-15.1174.8-61.4-43.6000112.9R390D201-R390 IonicContact OD1-CZ 2.76Å; D201-R390 IonicContact OD1-NE 3.65Å; D201-R390 IonicContact OD1-NH1 3.81Å; D201-R390 IonicContact OD1-NH2 2.72Å; D201-R390 PolarHBondContact OD1-NH2 3.44Å
202S86.3Confident79.6Confident6 Ų673.3 Ų73.34%0.04240%0.402CS..  trans-80.1125173.4170.20000110.8H200 R206 P207 D208 Y370 R374 Y381H200-S202 PolarHBondContact O-N 3.43Å; S202-R206 WeakPolarHBondContact CA-O 3.42Å; S202-P207 WeakPolarHBondContact OG-CA 3.4Å; S202-D208 PolarHBondContact OG-N 3.1Å; S202-D208 VanDerWaalsContact OG-N 3.16Å; S202-Y370 PolarHBondContact O-OH 3.15Å; S202-Y370 VanDerWaalsContact O-OH 3.07Å; S202-Y370 PolarHBondContact OG-OH 2.88Å; S202-Y370 VanDerWaalsContact OG-OH 3.08Å; S202-R374 PolarHBondContact O-NH2 3.34Å; S202-R374 PolarHBondContact OG-NH1 3.03Å; S202-Y381 WeakPolarHBondContact CB-OH 3.49Å; S202-Y381 PolarHBondContact N-OH 3.06Å
203T87.9Confident81.6Confident62 Ų6267.9 Ų67.938%0.3836%0.364SS..BIsolated β-bridgetrans-112.4171.2172.362.30000110.2T205 R206 P207 Y370T203-T205 PolarHBondContact O-N 3.21Å; T203-T205 PolarHBondContact OG1-OG1 3.35Å; T203-R206 PolarHBondContact N-O 2.76Å; T203-R206 VanDerWaalsContact N-O 3.14Å; T203-R206 CarbonylContact O-C 3.38Å; T203-R206 PolarHBondContact O-N 3.19Å; T203-R206 PolarHBondContact OG1-N 2.72Å; T203-P207 VanDerWaalsContact O-N 3.13Å; T203-Y370 VanDerWaalsContact C-CZ 3.42Å; T203-Y370 WeakPolarHBondContact CA-OH 3.37Å; T203-Y370 WeakPolarHBondContact O-CE2 3.28Å; T203-Y370 PolarHBondContact O-OH 3.1Å; T203-Y370 VanDerWaalsContact O-OH 3.13Å
204V91.3Very high83.5Confident40 Ų4068.5 Ų68.524%0.24236%0.355CS..THydrogen-bonded Turntrans-57.7-37.8173.3-179.40000110.8Y366 A367 Y370 F371V204-Y366 HydrophobicContact CG1-CD1 4Å; V204-Y366 HydrophobicContact CG1-CE1 3.8Å; V204-Y366 WeakPolarHBondContact O-CE1 3.44Å; V204-Y366 PolarHBondContact O-OH 3Å; V204-A367 HydrophobicContact CG1-CB 4.12Å; V204-Y370 HydrophobicContact CB-CD1 4.17Å; V204-Y370 HydrophobicContact CB-CE1 4.25Å; V204-Y370 HydrophobicContact CG1-CD1 4.47Å; V204-Y370 HydrophobicContact CG2-CD1 3.51Å; V204-Y370 HydrophobicContact CG2-CE1 3.55Å; V204-Y370 HydrophobicContact CG2-CG 4.3Å; V204-F371 HydrophobicContact CG2-CE1 3.98Å; V204-F371 HydrophobicContact CG2-CE2 3.9Å; V204-F371 HydrophobicContact CG2-CZ 3.41Å; V204-F371 VanDerWaalsContact CG2-CZ 3.41Å
205T90.5Very high85.1Confident124 Ų12465 Ų6576%0.76133%0.334SS*.THydrogen-bonded Turntrans-83.7-14.8-179.751.70000114.3T203T203-T205 PolarHBondContact O-N 3.21Å; T203-T205 PolarHBondContact OG1-OG1 3.35Å
206R89.7Confident86.7Confident196 Ų19661.1 Ų61.174%0.7431%0.307SS*.BIsolated β-bridgetrans-14470.8178.7-164.1174.6-178.3159.51.4109.6S202 T203S202-R206 WeakPolarHBondContact CA-O 3.42Å; T203-R206 PolarHBondContact N-O 2.76Å; T203-R206 VanDerWaalsContact N-O 3.14Å; T203-R206 CarbonylContact O-C 3.38Å; T203-R206 PolarHBondContact O-N 3.19Å; T203-R206 PolarHBondContact OG1-N 2.72Å
207P92.4Very high88Confident4 Ų456.8 Ų56.83%0.02628%0.28CS..  trans-60.1142.5175.819.4-27.2000111.3S202 T203 T212 P281 E282 I285 Y370S202-P207 WeakPolarHBondContact OG-CA 3.4Å; T203-P207 VanDerWaalsContact O-N 3.13Å; P207-T212 HydrophobicContact CB-CG2 4.42Å; P207-T212 WeakPolarHBondContact CB-OG1 3.46Å; P207-P281 HydrophobicContact CB-CB 3.97Å; P207-P281 HydrophobicContact CB-CG 4.38Å; P207-P281 HydrophobicContact CG-CB 3.81Å; P207-P281 HydrophobicContact CG-CG 3.93Å; P207-P281 WeakPolarHBondContact O-CG 2.98Å; P207-E282 WeakPolarHBondContact CD-OE1 3.33Å; P207-E282 HydrophobicContact CG-CG 3.89Å; P207-I285 HydrophobicContact CB-CD1 4.15Å; P207-I285 HydrophobicContact CG-CD1 3.98Å; P207-Y370 HydrophobicContact CB-CD2 4.33Å; P207-Y370 HydrophobicContact CB-CE2 3.98Å
208D91.4Very high88.9Confident49 Ų4954.6 Ų54.626%0.26227%0.269SS..  trans-78.7126.4175160.471.4000109.4S202 K210 S211 T212 Y381S202-D208 PolarHBondContact OG-N 3.1Å; S202-D208 VanDerWaalsContact OG-N 3.16Å; D208-K210 PolarHBondContact O-N 3.44Å; D208-K210 PolarHBondContact OD2-N 2.93Å; D208-S211 VanDerWaalsContact CB-OG 3.32Å; D208-S211 WeakPolarHBondContact CB-OG 3.37Å; D208-S211 PolarHBondContact O-N 3.12Å; D208-S211 PolarHBondContact O-OG 2.93Å; D208-S211 WeakPolarHBondContact OD2-CB 3.47Å; D208-S211 PolarHBondContact OD2-N 2.85Å; D208-S211 PolarHBondContact OD2-OG 2.61Å; D208-T212 VanDerWaalsContact O-CB 3.25Å; D208-T212 WeakPolarHBondContact O-CB 3.4Å; D208-T212 PolarHBondContact O-N 3.2Å; D208-T212 PolarHBondContact O-OG1 2.93Å; D208-Y381 HydrophobicContact CB-CE2 4.3Å
209P92.6Very high89.9Confident70 Ų7050.5 Ų50.546%0.45525%0.253SS..Hα-helixtrans-62.3-38.8-17322.6-33.4000114.2V213 P281P209-V213 WeakPolarHBondContact O-CB 3.41Å; P209-V213 VanDerWaalsContact O-CG2 3.29Å; P209-V213 WeakPolarHBondContact O-CG2 3.24Å; P209-V213 PolarHBondContact O-N 2.94Å; P209-V213 VanDerWaalsContact O-N 3.15Å; P209-P281 HydrophobicContact CB-CB 4.28Å; P209-P281 HydrophobicContact CB-CG 4.29Å
210K91.6Very high91Very high154 Ų15448.1 Ų48.167%0.6724%0.241SC*.Hα-helixtrans-71-41.8-176.8-69.4-179.6-179.1173.90112.2D208 R214D208-K210 PolarHBondContact O-N 3.44Å; D208-K210 PolarHBondContact OD2-N 2.93Å; K210-R214 WeakPolarHBondContact O-CB 3.34Å; K210-R214 PolarHBondContact O-N 3.36Å
211S90.9Very high91.9Very high7 Ų748.7 Ų48.75%0.04924%0.241CC..Hα-helixtrans-73.3-41.8178.858.20000111.6D208 R214 A215 Y381D208-S211 VanDerWaalsContact CB-OG 3.32Å; D208-S211 WeakPolarHBondContact CB-OG 3.37Å; D208-S211 PolarHBondContact O-N 3.12Å; D208-S211 PolarHBondContact O-OG 2.93Å; D208-S211 WeakPolarHBondContact OD2-CB 3.47Å; D208-S211 PolarHBondContact OD2-N 2.85Å; D208-S211 PolarHBondContact OD2-OG 2.61Å; S211-R214 PolarHBondContact O-N 2.6Å; S211-A215 WeakPolarHBondContact O-CB 3.33Å; S211-A215 PolarHBondContact O-N 3.05Å; S211-Y381 VanDerWaalsContact CB-CD2 3.49Å
212T94.3Very high92.6Very high6 Ų643.7 Ų43.74%0.03721%0.214CC..Hα-helixtrans-65.4-46.5-177.7-50.40000111.6P207 D208 R214 A215 L216 P281 A284 I285 I373P207-T212 HydrophobicContact CB-CG2 4.42Å; P207-T212 WeakPolarHBondContact CB-OG1 3.46Å; D208-T212 VanDerWaalsContact O-CB 3.25Å; D208-T212 WeakPolarHBondContact O-CB 3.4Å; D208-T212 PolarHBondContact O-N 3.2Å; D208-T212 PolarHBondContact O-OG1 2.93Å; T212-R214 VanDerWaalsContact C-N 3.31Å; T212-R214 PolarHBondContact O-N 2.96Å; T212-A215 WeakPolarHBondContact O-CB 3.08Å; T212-A215 PolarHBondContact O-N 3.4Å; T212-L216 PolarHBondContact O-N 2.78Å; T212-P281 HydrophobicContact CG2-CB 4.5Å; T212-A284 HydrophobicContact CG2-CB 3.95Å; T212-I285 HydrophobicContact CG2-CD1 4.29Å; T212-I285 HydrophobicContact CG2-CG1 4.01Å; T212-I373 HydrophobicContact CG2-CD1 3.94Å
213V95.3Very high92.9Very high11 Ų1143.5 Ų43.57%0.06721%0.213CC..Hα-helixtrans-63.6-37.4175.6173.10000111.6P209 A217 Y267 I270 R271 F274P209-V213 WeakPolarHBondContact O-CB 3.41Å; P209-V213 VanDerWaalsContact O-CG2 3.29Å; P209-V213 WeakPolarHBondContact O-CG2 3.24Å; P209-V213 PolarHBondContact O-N 2.94Å; P209-V213 VanDerWaalsContact O-N 3.15Å; V213-A217 PolarHBondContact O-N 2.99Å; V213-Y267 HydrophobicContact CG1-CE2 4.14Å; V213-I270 HydrophobicContact CG1-CG2 3.92Å; V213-R271 HydrophobicContact CG1-CB 4.44Å; V213-F274 HydrophobicContact CG2-CB 4.24Å; V213-F274 HydrophobicContact CG2-CD1 3.76Å; V213-F274 HydrophobicContact CG2-CD2 4.43Å; V213-F274 HydrophobicContact CG2-CE1 4.29Å; V213-F274 HydrophobicContact CG2-CG 3.87Å
214R94.2Very high93.1Very high85 Ų8540.6 Ų40.632%0.32120%0.195SC..Hα-helixtrans-67.6-39.2175.6-179.6178.6-82.6110.4-7.8111.7K210 S211 T212 A217 Q218 Y267K210-R214 WeakPolarHBondContact O-CB 3.34Å; K210-R214 PolarHBondContact O-N 3.36Å; S211-R214 PolarHBondContact O-N 2.6Å; T212-R214 VanDerWaalsContact C-N 3.31Å; T212-R214 PolarHBondContact O-N 2.96Å; R214-A217 PolarHBondContact O-N 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.41Å; R214-Q218 PolarHBondContact O-N 3.4Å; R214-Y267 HydrophobicContact CB-CD2 4.4Å; R214-Y267 HydrophobicContact CB-CE2 3.95Å
215A93.6Very high93.1Very high1 Ų142.9 Ų42.91%0.00820%0.202CC..Hα-helixtrans-64-46.4175.800000111.7S211 T212 A217 Q218 A219 I373S211-A215 WeakPolarHBondContact O-CB 3.33Å; S211-A215 PolarHBondContact O-N 3.05Å; T212-A215 WeakPolarHBondContact O-CB 3.08Å; T212-A215 PolarHBondContact O-N 3.4Å; A215-A217 VanDerWaalsContact C-N 3.35Å; A215-A217 PolarHBondContact O-N 3.11Å; A215-Q218 WeakPolarHBondContact O-CB 3.21Å; A215-Q218 PolarHBondContact O-N 2.93Å; A215-Q218 VanDerWaalsContact O-N 3.1Å; A215-A219 PolarHBondContact O-N 3.44Å; A215-I373 HydrophobicContact CB-CB 4.06Å; A215-I373 HydrophobicContact CB-CG1 4.24Å; A215-I373 VanDerWaalsContact CB-O 3.22Å; A215-I373 WeakPolarHBondContact CB-O 3.35Å
216L96.4Very high92.9Very high0 Ų039.7 Ų39.70%018%0.178CC..Hα-helixtrans-56.2-48.7174.4176.162.5000111.2T212 Q218 A219 I220 I270 F274 A284 T287 M288T212-L216 PolarHBondContact O-N 2.78Å; L216-Q218 PolarHBondContact O-N 3.17Å; L216-A219 WeakPolarHBondContact O-CB 3.29Å; L216-A219 PolarHBondContact O-N 3.27Å; L216-A219 VanDerWaalsContact O-N 3.12Å; L216-I220 HydrophobicContact CD1-CD1 3.82Å; L216-I220 HydrophobicContact CD1-CG1 4.33Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 PolarHBondContact O-N 2.62Å; L216-I270 HydrophobicContact CD2-CG2 4.01Å; L216-I270 HydrophobicContact CG-CD1 4.47Å; L216-F274 HydrophobicContact CD2-CE2 4.27Å; L216-F274 HydrophobicContact CD2-CZ 4.43Å; L216-A284 HydrophobicContact CD2-CB 3.85Å; L216-T287 HydrophobicContact CD1-CG2 4.49Å; L216-T287 HydrophobicContact CD2-CG2 4.16Å; L216-M288 HydrophobicContact CD1-CB 4Å; L216-M288 HydrophobicContact CD1-CG 4.44Å; L216-M288 HydrophobicContact CD1-SD 3.74Å
217A96.1Very high92.8Very high0 Ų032 Ų320%015%0.149CC..Hα-helixtrans-59.9-35.8177.100000112.8V213 R214 A215 Y221 L263 V266 Y267 I270V213-A217 PolarHBondContact O-N 2.99Å; R214-A217 PolarHBondContact O-N 3.3Å; A215-A217 VanDerWaalsContact C-N 3.35Å; A215-A217 PolarHBondContact O-N 3.11Å; A217-Y221 VanDerWaalsContact O-CB 3.24Å; A217-Y221 WeakPolarHBondContact O-CB 3.39Å; A217-Y221 PolarHBondContact O-N 2.58Å; A217-L263 HydrophobicContact CB-CD1 4.44Å; A217-V266 HydrophobicContact CB-CG1 4.35Å; A217-Y267 HydrophobicContact CB-CD2 3.91Å; A217-Y267 HydrophobicContact CB-CG 4.4Å; A217-I270 HydrophobicContact CB-CD1 3.89Å
218Q93.7Very high92.5Very high24 Ų2435.2 Ų35.211%0.11217%0.166CC..Hα-helixtrans-71-38.6175.3-73.7178.712.300112.5R214 A215 L216 Y221 L222 L263 L376R214-Q218 WeakPolarHBondContact O-CG 3.41Å; R214-Q218 PolarHBondContact O-N 3.4Å; A215-Q218 WeakPolarHBondContact O-CB 3.21Å; A215-Q218 PolarHBondContact O-N 2.93Å; A215-Q218 VanDerWaalsContact O-N 3.1Å; L216-Q218 PolarHBondContact O-N 3.17Å; Q218-Y221 PolarHBondContact O-N 2.62Å; Q218-L222 WeakPolarHBondContact O-CB 3.46Å; Q218-L222 VanDerWaalsContact O-CG 3.24Å; Q218-L222 WeakPolarHBondContact O-CG 3.46Å; Q218-L222 PolarHBondContact O-N 3.09Å; Q218-L263 HydrophobicContact CB-CD1 4.41Å; Q218-L263 HydrophobicContact CG-CD1 3.71Å; Q218-L263 HydrophobicContact CG-CD2 3.91Å; Q218-L263 HydrophobicContact CG-CG 4.45Å; Q218-L376 HydrophobicContact CB-CB 4.28Å; Q218-L376 HydrophobicContact CB-CD1 4.32Å; Q218-L376 PolarHBondContact OE1-O 3.24Å
219A94.3Very high92Very high0 Ų039.5 Ų39.50%018%0.184CC..Hα-helixtrans-60.9-50.4175.500000110.9F154 A215 L216 Y221 L222 Q223 M288 I373 L376F154-A219 HydrophobicContact CD1-CB 4.34Å; F154-A219 HydrophobicContact CD2-CB 4.17Å; F154-A219 HydrophobicContact CE1-CB 4.49Å; F154-A219 HydrophobicContact CE2-CB 4.34Å; F154-A219 HydrophobicContact CG-CB 4.15Å; F154-A219 HydrophobicContact CZ-CB 4.46Å; A215-A219 PolarHBondContact O-N 3.44Å; L216-A219 WeakPolarHBondContact O-CB 3.29Å; L216-A219 PolarHBondContact O-N 3.27Å; L216-A219 VanDerWaalsContact O-N 3.12Å; A219-Y221 PolarHBondContact O-N 2.92Å; A219-L222 PolarHBondContact O-N 2.84Å; A219-Q223 WeakPolarHBondContact O-CG 3.44Å; A219-Q223 PolarHBondContact O-N 3.36Å; A219-M288 HydrophobicContact CB-CE 4.09Å; A219-M288 HydrophobicContact CB-SD 3.63Å; A219-I373 HydrophobicContact CB-CG2 4.45Å; A219-L376 VanDerWaalsContact CA-CD1 3.45Å; A219-L376 HydrophobicContact CB-CD1 3.57Å
220I95.3Very high91.3Very high0 Ų045.3 Ų45.30%020%0.202CC..Hα-helixtrans-60.8-46.6178.1-69.8162.8000111L216 L222 Q223 I224 V266 I270 L291 L302 V311L216-I220 HydrophobicContact CD1-CD1 3.82Å; L216-I220 HydrophobicContact CD1-CG1 4.33Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 PolarHBondContact O-N 2.62Å; I220-L222 VanDerWaalsContact C-N 3.31Å; I220-L222 PolarHBondContact O-N 2.97Å; I220-Q223 WeakPolarHBondContact O-CB 3.06Å; I220-Q223 PolarHBondContact O-N 2.9Å; I220-Q223 VanDerWaalsContact O-N 3.17Å; I220-I224 HydrophobicContact CG2-CD1 3.92Å; I220-I224 WeakPolarHBondContact O-CG1 3.2Å; I220-I224 PolarHBondContact O-N 2.87Å; I220-V266 HydrophobicContact CB-CG1 4.17Å; I220-V266 HydrophobicContact CG2-CG1 3.79Å; I220-I270 HydrophobicContact CD1-CD1 3.52Å; I220-L291 HydrophobicContact CD1-CD1 3.75Å; I220-L291 HydrophobicContact CG1-CD1 3.78Å; I220-L302 HydrophobicContact CG2-CD1 4.2Å; I220-V311 HydrophobicContact CD1-CG1 4.02Å; I220-V311 HydrophobicContact CD1-CG2 3.79Å; I220-V311 HydrophobicContact CG1-CG2 4.29Å; I220-V311 HydrophobicContact CG2-CG2 3.95Å
221Y94.5Very high90.5Very high61 Ų6140.8 Ų40.824%0.23919%0.185CC..Hα-helixtrans-58.1-43.1176.9169.8-101.8000112.4A217 Q218 A219 I224 K225 P261 L263A217-Y221 VanDerWaalsContact O-CB 3.24Å; A217-Y221 WeakPolarHBondContact O-CB 3.39Å; A217-Y221 PolarHBondContact O-N 2.58Å; Q218-Y221 PolarHBondContact O-N 2.62Å; A219-Y221 PolarHBondContact O-N 2.92Å; Y221-I224 PolarHBondContact O-N 2.99Å; Y221-K225 HydrophobicContact CE1-CD 4.11Å; Y221-K225 VanDerWaalsContact O-CB 3.32Å; Y221-K225 WeakPolarHBondContact O-CB 3.24Å; Y221-K225 PolarHBondContact O-N 3.08Å; Y221-P261 WeakPolarHBondContact CE2-O 3.43Å; Y221-L263 HydrophobicContact CD1-CB 4.22Å; Y221-L263 HydrophobicContact CD1-CD1 4.33Å; Y221-L263 HydrophobicContact CD2-CB 4Å; Y221-L263 HydrophobicContact CE1-CB 4.48Å; Y221-L263 HydrophobicContact CE2-CB 4.29Å; Y221-L263 HydrophobicContact CG-CB 3.96Å; Y221-L263 HydrophobicContact CG-CD1 4.02Å
222L92.6Very high89.2Confident18 Ų1844.7 Ų44.79%0.09422%0.217CC..Hα-helixtrans-68.2-34.2177.8-71.3172.3000112.4Q218 A219 I220 H226 L376Q218-L222 WeakPolarHBondContact O-CB 3.46Å; Q218-L222 VanDerWaalsContact O-CG 3.24Å; Q218-L222 WeakPolarHBondContact O-CG 3.46Å; Q218-L222 PolarHBondContact O-N 3.09Å; A219-L222 PolarHBondContact O-N 2.84Å; I220-L222 VanDerWaalsContact C-N 3.31Å; I220-L222 PolarHBondContact O-N 2.97Å; L222-H226 WeakPolarHBondContact O-CB 3.31Å; L222-H226 PolarHBondContact O-N 2.89Å; L222-L376 HydrophobicContact CD1-CD1 4.34Å; L222-L376 HydrophobicContact CD1-CD2 3.95Å
223Q91.7Very high87.7Confident1 Ų147.4 Ų47.41%0.00524%0.236CC..Hα-helixtrans-63.9-46.1172.9-74.4-173.3-4.100111.6F154 A219 I220 H226 R227 E292 L302F154-Q223 HydrophobicContact CB-CG 3.58Å; A219-Q223 WeakPolarHBondContact O-CG 3.44Å; A219-Q223 PolarHBondContact O-N 3.36Å; I220-Q223 WeakPolarHBondContact O-CB 3.06Å; I220-Q223 PolarHBondContact O-N 2.9Å; I220-Q223 VanDerWaalsContact O-N 3.17Å; Q223-H226 CarbonylContact O-C 3.08Å; Q223-R227 WeakPolarHBondContact O-CA 3.37Å; Q223-R227 PolarHBondContact O-N 3Å; Q223-E292 PolarHBondContact NE2-OE1 3.12Å; Q223-L302 HydrophobicContact CB-CD1 4.03Å; Q223-L302 VanDerWaalsContact OE1-CD1 3.23Å
224I92.4Very high86.1Confident2 Ų251 Ų511%0.0126%0.255CS..Hα-helixtrans-62.3-47.6178-61.4162.3000110.5I220 Y221 H226 R227 P261 V266 L302 W307I220-I224 HydrophobicContact CG2-CD1 3.92Å; I220-I224 WeakPolarHBondContact O-CG1 3.2Å; I220-I224 PolarHBondContact O-N 2.87Å; Y221-I224 PolarHBondContact O-N 2.99Å; I224-H226 PolarHBondContact O-N 3.44Å; I224-R227 WeakPolarHBondContact O-CG 3.4Å; I224-R227 PolarHBondContact O-N 3.05Å; I224-R227 PolarHBondContact O-NH1 2.66Å; I224-P261 HydrophobicContact CD1-CG 3.83Å; I224-P261 HydrophobicContact CG2-CG 4.43Å; I224-V266 HydrophobicContact CD1-CG2 4.38Å; I224-L302 HydrophobicContact CG1-CB 3.79Å; I224-L302 HydrophobicContact CG1-CD1 4.32Å; I224-W307 HydrophobicContact CD1-CB 3.62Å; I224-W307 HydrophobicContact CD1-CD2 3.97Å; I224-W307 HydrophobicContact CD1-CE3 4.3Å; I224-W307 HydrophobicContact CD1-CG 3.64Å; I224-W307 HydrophobicContact CG1-CB 4.04Å; I224-W307 HydrophobicContact CG1-CG 4.49Å
225K90.5Very high84.4Confident88 Ų8851.5 Ų51.538%0.38327%0.269SS..Hα-helixtrans-65.9-35.3-176.6-172.3-171.8174.1-163.80113.2D161 Y221D161-K225 IonicContact OD2-NZ 2.71Å; Y221-K225 HydrophobicContact CE1-CD 4.11Å; Y221-K225 VanDerWaalsContact O-CB 3.32Å; Y221-K225 WeakPolarHBondContact O-CB 3.24Å; Y221-K225 PolarHBondContact O-N 3.08Å
226H88.1Confident82.7Confident56 Ų5655.9 Ų55.926%0.25929%0.29SS..THydrogen-bonded Turntrans-110.829.8-177.6-56.1159.5000112.5R157 S158 D161 L222 Q223 I224R157-H226 HydrophobicContact CB-CB 4.27Å; S158-H226 WeakPolarHBondContact CB-ND1 3.41Å; D161-H226 IonicContact OD2-CE1 3.07Å; D161-H226 PolarHBondContact OD2-CE1 3.36Å; D161-H226 IonicContact OD2-NE2 3.15Å; D161-H226 PolarHBondContact OD2-NE2 3.47Å; L222-H226 WeakPolarHBondContact O-CB 3.31Å; L222-H226 PolarHBondContact O-N 2.89Å; Q223-H226 CarbonylContact O-C 3.08Å; I224-H226 PolarHBondContact O-N 3.44Å
227R87.8Confident81.6Confident35 Ų3556.5 Ų56.513%0.13229%0.294CS..  trans-60.2149.317667.5-176.3177-85.88.1111.7Q223 I224 H229 D260 E301 L302Q223-R227 WeakPolarHBondContact O-CA 3.37Å; Q223-R227 PolarHBondContact O-N 3Å; I224-R227 WeakPolarHBondContact O-CG 3.4Å; I224-R227 PolarHBondContact O-N 3.05Å; I224-R227 PolarHBondContact O-NH1 2.66Å; R227-H229 PolarHBondContact NE-CE1 3.2Å; R227-H229 PolarHBondContact O-CD2 2.8Å; R227-H229 PolarHBondContact O-N 3.14Å; R227-D260 IonicContact CZ-OD1 3.77Å; R227-D260 VanDerWaalsContact CZ-OD1 3.3Å; R227-D260 IonicContact CZ-OD2 3.69Å; R227-D260 IonicContact NH1-OD1 3.87Å; R227-D260 PolarHBondContact NH1-OD1 3.12Å; R227-D260 IonicContact NH1-OD2 2.62Å; R227-D260 PolarHBondContact NH1-OD2 3.13Å; R227-D260 IonicContact NH2-OD1 3.41Å; R227-D260 PolarHBondContact NH2-OD1 3.33Å; R227-E301 HydrophobicContact CB-CB 4.2Å; R227-E301 HydrophobicContact CB-CG 4.5Å; R227-L302 WeakPolarHBondContact CD-O 3.46Å
228N84.4Confident81.1Confident72 Ų7262.2 Ų62.239%0.38532%0.32SS..  trans-82.199.5172.6-174.21000110.6K230 I231 E301N228-K230 PolarHBondContact O-N 2.8Å; N228-K230 WeakPolarHBondContact OD1-CB 3.2Å; N228-K230 PolarHBondContact OD1-N 3.44Å; N228-K230 VanDerWaalsContact OD1-N 3.16Å; N228-I231 HydrophobicContact CB-CD1 3.97Å; N228-I231 HydrophobicContact CB-CG1 4.16Å; N228-I231 PolarHBondContact O-N 3.25Å; N228-E301 HydrophobicContact CB-CG 4.4Å
229H81.6Confident80.9Confident139 Ų13962 Ų6264%0.64432%0.32SS*.THydrogen-bonded Turntrans-61.6-8.4179.8-64-86.2000115.3R227R227-H229 PolarHBondContact NE-CE1 3.2Å; R227-H229 PolarHBondContact O-CD2 2.8Å; R227-H229 PolarHBondContact O-N 3.14Å
230K78.2Confident80.8Confident191 Ų19162 Ų6283%0.8332%0.32SS*.THydrogen-bonded Turntrans-84.8-17179-62.7-177.1178.1-177.80113.7N228 A232N228-K230 PolarHBondContact O-N 2.8Å; N228-K230 WeakPolarHBondContact OD1-CB 3.2Å; N228-K230 PolarHBondContact OD1-N 3.44Å; N228-K230 VanDerWaalsContact OD1-N 3.16Å; K230-A232 PolarHBondContact O-N 3.39Å
231I75Confident80.4Confident59 Ų5963.9 Ų63.930%0.30333%0.33SS..SBendtrans-79.9115.9-178.8-63.7-179.6000107.3N228 E299 E301N228-I231 HydrophobicContact CB-CD1 3.97Å; N228-I231 HydrophobicContact CB-CG1 4.16Å; N228-I231 PolarHBondContact O-N 3.25Å; I231-E299 WeakPolarHBondContact CG2-O 3.14Å; I231-E301 HydrophobicContact CB-CG 4.1Å; I231-E301 HydrophobicContact CD1-CG 3.99Å; I231-E301 WeakPolarHBondContact CD1-OE1 3.49Å; I231-E301 HydrophobicContact CG2-CG 4.41Å
232A63.2Low80.1Confident89 Ų8961.3 Ų61.374%0.73632%0.32SS*.PPolyproline II helixtrans-74.1130.1173.400000108.4K230 D234K230-A232 PolarHBondContact O-N 3.39Å; A232-D234 PolarHBondContact O-N 3.35Å
233C62Low79.8Confident63 Ų6363.7 Ų63.743%0.42634%0.338SS..PPolyproline II helixtrans-68.9126.3175.1-61.60000109.5I237C233-I237 HydrophobicContact CB-CD1 4.01Å
234D63.7Low79.5Confident88 Ų8868.2 Ų68.247%0.47136%0.362SS..PPolyproline II helixtrans-60137.6170.1-169.1-44.5000110.2A232 M236 I237A232-D234 PolarHBondContact O-N 3.35Å; D234-M236 PolarHBondContact O-N 2.9Å; D234-M236 WeakPolarHBondContact OD1-CB 3.42Å; D234-M236 PolarHBondContact OD1-N 3.15Å; D234-I237 HydrophobicContact CB-CD1 4.2Å; D234-I237 HydrophobicContact CB-CG1 4.43Å; D234-I237 WeakPolarHBondContact O-CB 2.99Å; D234-I237 WeakPolarHBondContact O-CG1 3.41Å; D234-I237 PolarHBondContact O-N 2.94Å
235P57.3Low79.3Confident95 Ų9571.3 Ų71.362%0.61738%0.376SS*.G310 helixtrans-49.6-25.3170.5-8.94.8000114.8I237 E238P235-I237 PolarHBondContact O-N 3.06Å; P235-E238 WeakPolarHBondContact O-CG 3.45Å; P235-E238 PolarHBondContact O-N 3.36Å; P235-E238 VanDerWaalsContact O-N 3.08Å
236M57.7Low79.1Confident92 Ų9270.3 Ų70.345%0.45338%0.379SS..G310 helixtrans-57.5-10.2174.2-161.8174.8-177.100113.5D234 I354D234-M236 PolarHBondContact O-N 2.9Å; D234-M236 WeakPolarHBondContact OD1-CB 3.42Å; D234-M236 PolarHBondContact OD1-N 3.15Å; M236-I354 HydrophobicContact CE-CG1 4.08Å; M236-I354 HydrophobicContact SD-CG1 4.36Å
237I73.6Confident79.1Confident14 Ų1467.6 Ų67.67%0.07237%0.366CS..G310 helixtrans-92.3-2.8-177.7-56.2171.9000112.4C233 D234 P235 I239 F240 D241 T300C233-I237 HydrophobicContact CB-CD1 4.01Å; D234-I237 HydrophobicContact CB-CD1 4.2Å; D234-I237 HydrophobicContact CB-CG1 4.43Å; D234-I237 WeakPolarHBondContact O-CB 2.99Å; D234-I237 WeakPolarHBondContact O-CG1 3.41Å; D234-I237 PolarHBondContact O-N 2.94Å; P235-I237 PolarHBondContact O-N 3.06Å; I237-I239 PolarHBondContact O-N 2.95Å; I237-I239 VanDerWaalsContact O-N 3.13Å; I237-F240 HydrophobicContact CG2-CB 4.13Å; I237-F240 HydrophobicContact CG2-CD2 4.11Å; I237-F240 WeakPolarHBondContact O-CA 2.95Å; I237-F240 WeakPolarHBondContact O-CB 3.48Å; I237-F240 PolarHBondContact O-N 3.33Å; I237-D241 PolarHBondContact O-N 2.99Å; I237-T300 VanDerWaalsContact CD1-CB 3.46Å; I237-T300 HydrophobicContact CD1-CG2 3.81Å; I237-T300 WeakPolarHBondContact CD1-OG1 3.44Å
238E85.4Confident78.8Confident119 Ų11970.3 Ų70.356%0.55638%0.38SS*.G310 helixtrans-54.6-34.9179-78.3177.9-164.800113.1P235 F240 D241 L244 H245P235-E238 WeakPolarHBondContact O-CG 3.45Å; P235-E238 PolarHBondContact O-N 3.36Å; P235-E238 VanDerWaalsContact O-N 3.08Å; E238-F240 PolarHBondContact O-N 2.85Å; E238-D241 WeakPolarHBondContact O-CB 3.44Å; E238-D241 PolarHBondContact O-N 3.33Å; E238-L244 HydrophobicContact CB-CD1 4.09Å; E238-L244 HydrophobicContact CG-CD1 4.13Å; E238-H245 PolarHBondContact O-CE1 2.73Å; E238-H245 PolarHBondContact O-ND1 3.18Å; E238-H245 VanDerWaalsContact O-ND1 3.12Å
239I90.3Very high77.9Confident19 Ų1972.8 Ų72.810%0.09739%0.393CS..G310 helixtrans-62.2-27.6176.1-166.8172.5000112.8I237 R309 E346 L347 R350I237-I239 PolarHBondContact O-N 2.95Å; I237-I239 VanDerWaalsContact O-N 3.13Å; I239-R309 PolarHBondContact O-NE 3.13Å; I239-R309 PolarHBondContact O-NH2 3.47Å; I239-E346 HydrophobicContact CD1-CB 4.13Å; I239-E346 HydrophobicContact CD1-CG 3.48Å; I239-E346 VanDerWaalsContact CD1-CG 3.48Å; I239-L347 HydrophobicContact CD1-CD2 4.22Å; I239-L347 HydrophobicContact CD1-CG 4.39Å; I239-L347 HydrophobicContact CG1-CD2 3.89Å; I239-L347 HydrophobicContact CG1-CG 4.37Å; I239-R350 HydrophobicContact CD1-CB 3.99Å; I239-R350 HydrophobicContact CD1-CG 3.46Å; I239-R350 VanDerWaalsContact CD1-CG 3.46Å; I239-R350 HydrophobicContact CG2-CB 4.1Å; I239-R350 HydrophobicContact CG2-CG 4.21Å
240F91.1Very high77.2Confident2 Ų273.2 Ų73.21%0.00940%0.396CS..G310 helixtrans-87.4-9.6177.6-62-59.3000112.7I237 E238 E242 L294 S306 R309 I310 C313 L347 F351 I354I237-F240 HydrophobicContact CG2-CB 4.13Å; I237-F240 HydrophobicContact CG2-CD2 4.11Å; I237-F240 WeakPolarHBondContact O-CA 2.95Å; I237-F240 WeakPolarHBondContact O-CB 3.48Å; I237-F240 PolarHBondContact O-N 3.33Å; E238-F240 PolarHBondContact O-N 2.85Å; F240-E242 PolarHBondContact O-N 3.38Å; F240-L294 HydrophobicContact CE1-CD1 4.4Å; F240-L294 HydrophobicContact CE2-CD1 3.96Å; F240-L294 HydrophobicContact CZ-CD1 3.65Å; F240-S306 VanDerWaalsContact O-CA 3.29Å; F240-S306 WeakPolarHBondContact O-CA 3.36Å; F240-R309 HydrophobicContact CD1-CB 4.41Å; F240-R309 WeakPolarHBondContact O-CB 2.81Å; F240-R309 WeakPolarHBondContact O-CD 3.17Å; F240-I310 HydrophobicContact CB-CD1 4.17Å; F240-I310 HydrophobicContact CB-CG1 3.68Å; F240-I310 HydrophobicContact CD1-CB 4.45Å; F240-I310 HydrophobicContact CD1-CG1 3.6Å; F240-I310 HydrophobicContact CD2-CG1 4.12Å; F240-I310 HydrophobicContact CE1-CG1 4.27Å; F240-I310 HydrophobicContact CG-CD1 4.23Å; F240-I310 HydrophobicContact CG-CG1 3.52Å; F240-C313 HydrophobicContact CE1-CB 4.45Å; F240-L347 HydrophobicContact CD1-CD2 3.8Å; F240-L347 HydrophobicContact CE1-CD2 3.87Å; F240-F351 HydrophobicContact CE1-CD2 4.25Å; F240-F351 HydrophobicContact CZ-CB 4.33Å; F240-F351 HydrophobicContact CZ-CD2 4.24Å; F240-I354 HydrophobicContact CE2-CD1 3.62Å; F240-I354 HydrophobicContact CZ-CD1 4.13Å
241D88.6Confident76.8Confident39 Ų3969.9 Ų69.921%0.20939%0.394CS..  trans-72.3113177.9-163.7-29.3000110.6I237 E238 S243 L244 H245I237-D241 PolarHBondContact O-N 2.99Å; E238-D241 WeakPolarHBondContact O-CB 3.44Å; E238-D241 PolarHBondContact O-N 3.33Å; D241-S243 PolarHBondContact O-N 3.04Å; D241-S243 VanDerWaalsContact OD1-CB 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.09Å; D241-S243 PolarHBondContact OD1-N 2.95Å; D241-S243 PolarHBondContact OD1-OG 3.07Å; D241-S243 PolarHBondContact OD2-OG 2.71Å; D241-L244 HydrophobicContact CB-CB 4.35Å; D241-L244 HydrophobicContact CB-CD1 4.12Å; D241-L244 HydrophobicContact CB-CG 4.15Å; D241-L244 PolarHBondContact O-N 3.24Å; D241-H245 PolarHBondContact O-N 2.93Å
242E88Confident76.9Confident6 Ų668.9 Ų68.93%0.02839%0.39CS..THydrogen-bonded Turntrans-66.3-22.9178-169.7173.2171.300112.9F240 L244 H245 P246 V252 Y256 S305 K308 R309F240-E242 PolarHBondContact O-N 3.38Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-H245 CarbonylContact O-C 3.57Å; E242-P246 VanDerWaalsContact O-CA 3.25Å; E242-P246 WeakPolarHBondContact O-CA 3.42Å; E242-V252 HydrophobicContact CG-CG2 4.22Å; E242-Y256 HydrophobicContact CB-CE1 3.95Å; E242-Y256 HydrophobicContact CG-CE1 4.13Å; E242-Y256 WeakPolarHBondContact OE2-CE1 3.12Å; E242-Y256 PolarHBondContact OE2-OH 3.42Å; E242-S305 WeakPolarHBondContact CB-O 3.28Å; E242-S305 PolarHBondContact N-O 3.37Å; E242-K308 WeakPolarHBondContact OE1-CD 3.48Å; E242-K308 WeakPolarHBondContact OE1-CE 3.35Å; E242-K308 IonicContact OE1-NZ 3.11Å; E242-K308 PolarHBondContact OE1-NZ 3.03Å; E242-K308 WeakPolarHBondContact OE2-CB 3.49Å; E242-K308 WeakPolarHBondContact OE2-CD 3.27Å; E242-K308 WeakPolarHBondContact OE2-CE 3.46Å; E242-K308 IonicContact OE2-NZ 3.54Å; E242-K308 PolarHBondContact OE2-NZ 3.2Å; E242-R309 HydrophobicContact CB-CG 4.49Å
243S84.7Confident77.7Confident69 Ų6967.4 Ų67.448%0.48337%0.373SS..THydrogen-bonded Turntrans-70-32.4175.769.80000112.6D241D241-S243 PolarHBondContact O-N 3.04Å; D241-S243 VanDerWaalsContact OD1-CB 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.09Å; D241-S243 PolarHBondContact OD1-N 2.95Å; D241-S243 PolarHBondContact OD1-OG 3.07Å; D241-S243 PolarHBondContact OD2-OG 2.71Å
244L86.3Confident78.4Confident96 Ų9674 Ų7450%0.50340%0.395SS..THydrogen-bonded Turntrans-84.6-37.7175.9-61.3179.5000111.3E238 D241 E242E238-L244 HydrophobicContact CB-CD1 4.09Å; E238-L244 HydrophobicContact CG-CD1 4.13Å; D241-L244 HydrophobicContact CB-CB 4.35Å; D241-L244 HydrophobicContact CB-CD1 4.12Å; D241-L244 HydrophobicContact CB-CG 4.15Å; D241-L244 PolarHBondContact O-N 3.24Å; E242-L244 VanDerWaalsContact C-N 3.34Å
245H87.7Confident79.3Confident67 Ų6771.5 Ų71.531%0.3138%0.382SS..SBendtrans-128.276.8-174.8-52.898.7000110.3E238 D241 E242 I247 R309E238-H245 PolarHBondContact O-CE1 2.73Å; E238-H245 PolarHBondContact O-ND1 3.18Å; E238-H245 VanDerWaalsContact O-ND1 3.12Å; D241-H245 PolarHBondContact O-N 2.93Å; E242-H245 CarbonylContact O-C 3.57Å; H245-I247 PolarHBondContact O-N 2.93Å; H245-R309 VanDerWaalsContact O-CD 3.24Å; H245-R309 WeakPolarHBondContact O-CD 3.32Å; H245-R309 PolarHBondContact O-NH1 3.49Å
246P87.7Confident80.4Confident66 Ų6668.3 Ų68.343%0.42936%0.358SS..  trans-66.6133.7-175.326.3-34.7000112.2E242 Q248 V252E242-P246 VanDerWaalsContact O-CA 3.25Å; E242-P246 WeakPolarHBondContact O-CA 3.42Å; P246-Q248 VanDerWaalsContact C-N 3.34Å; P246-V252 HydrophobicContact CB-CG2 3.88Å
247I87.5Confident81.5Confident0 Ų066.6 Ų66.60%036%0.358CS..SBendtrans-73.5-29176.7-70.4165.8000111.7H245 F269 K308 R309 L312 L336H245-I247 PolarHBondContact O-N 2.93Å; I247-F269 HydrophobicContact CD1-CZ 4.47Å; I247-K308 HydrophobicContact CD1-CB 4.06Å; I247-K308 HydrophobicContact CD1-CD 3.72Å; I247-K308 HydrophobicContact CD1-CG 3.63Å; I247-R309 HydrophobicContact CD1-CB 4.41Å; I247-R309 HydrophobicContact CD1-CG 3.57Å; I247-R309 HydrophobicContact CG1-CG 3.84Å; I247-L312 HydrophobicContact CD1-CD2 4.02Å; I247-L312 HydrophobicContact CG1-CD2 4.3Å; I247-L336 HydrophobicContact CG2-CB 4.2Å; I247-L336 HydrophobicContact CG2-CD1 3.79Å; I247-L336 HydrophobicContact CG2-CD2 4.08Å; I247-L336 HydrophobicContact CG2-CG 4.25Å
248Q81.5Confident82Confident91 Ų9171 Ų7143%0.42539%0.385SS..SBendtrans-123.3149.5-176.5-54.6-173.8-79.200109.3P246 E250P246-Q248 VanDerWaalsContact C-N 3.34Å; Q248-E250 PolarHBondContact O-N 3.29Å; Q248-E250 VanDerWaalsContact O-N 3.15Å
249N65.4Low82.1Confident124 Ų12472.2 Ų72.266%0.66339%0.385SS*.SBendtrans-68.7-7.2177.9-81.6-26.2000114.4D338N249-D338 HydrophobicContact CB-CB 4.25Å; N249-D338 WeakPolarHBondContact CB-OD2 3.41Å; N249-D338 PolarHBondContact N-OD2 2.92Å; N249-D338 WeakPolarHBondContact ND2-CB 3.32Å; N249-D338 PolarHBondContact ND2-OD1 2.84Å; N249-D338 PolarHBondContact ND2-OD2 3.4Å
250E66.7Low82.1Confident148 Ų14874.1 Ų74.169%0.69240%0.395SS*.SBendtrans-68.4131.2172.4-70.1-173.9-18000109.6Q248 V252Q248-E250 PolarHBondContact O-N 3.29Å; Q248-E250 VanDerWaalsContact O-N 3.15Å; E250-V252 PolarHBondContact O-N 3.37Å; E250-V252 VanDerWaalsContact O-N 3.07Å
251P69.3Low82.2Confident121 Ų12174.7 Ų74.779%0.78640%0.399SS*.PPolyproline II helixtrans-57.3121.9179.122.5-31.6000109P253P251-P253 WeakPolarHBondContact O-CD 3.45Å; P251-P253 VanDerWaalsContact O-N 3.15Å
252V76.9Confident82.5Confident39 Ų3978.1 Ų78.124%0.23642%0.418CS..PPolyproline II helixtrans-56.7121.61761780000107.1E242 P246 E250 F254 Y256E242-V252 HydrophobicContact CG-CG2 4.22Å; P246-V252 HydrophobicContact CB-CG2 3.88Å; E250-V252 PolarHBondContact O-N 3.37Å; E250-V252 VanDerWaalsContact O-N 3.07Å; V252-F254 PolarHBondContact O-N 2.91Å; V252-Y256 HydrophobicContact CG1-CD1 3.6Å; V252-Y256 HydrophobicContact CG1-CD2 4.23Å; V252-Y256 HydrophobicContact CG1-CE1 4.44Å; V252-Y256 HydrophobicContact CG1-CG 3.48Å; V252-Y256 VanDerWaalsContact CG1-CG 3.48Å
253P79.4Confident82.8Confident57 Ų5780.6 Ų80.637%0.3743%0.431SS..PPolyproline II helixtrans-53.4141.9-179.7-28.836.2000111P251 D255 Y256P251-P253 WeakPolarHBondContact O-CD 3.45Å; P251-P253 VanDerWaalsContact O-N 3.15Å; P253-D255 WeakPolarHBondContact CB-OD1 3.41Å; P253-D255 PolarHBondContact O-N 3.4Å; P253-D255 VanDerWaalsContact O-N 3.08Å; P253-Y256 WeakPolarHBondContact O-CB 3.39Å; P253-Y256 PolarHBondContact O-N 2.92Å
254F77.4Confident83.3Confident202 Ų20284.3 Ų84.389%0.88644%0.438SS*.THydrogen-bonded Turntrans-59-27.4-179.583.4-86.6000112.3V252 Y256V252-F254 PolarHBondContact O-N 2.91Å; F254-Y256 VanDerWaalsContact C-N 3.29Å
255D82.9Confident83.7Confident36 Ų3682.8 Ų82.819%0.19343%0.433CS..THydrogen-bonded Turntrans-84-0.1178.669.9-30.1000113.1P253 A257 T258 R259P253-D255 WeakPolarHBondContact CB-OD1 3.41Å; P253-D255 PolarHBondContact O-N 3.4Å; P253-D255 VanDerWaalsContact O-N 3.08Å; D255-A257 VanDerWaalsContact C-N 3.31Å; D255-A257 PolarHBondContact O-N 3.32Å; D255-T258 CarbonylContact O-C 3.59Å; D255-T258 WeakPolarHBondContact O-CA 3.43Å; D255-T258 PolarHBondContact O-N 2.98Å; D255-T258 PolarHBondContact O-OG1 3.08Å; D255-R259 WeakPolarHBondContact O-CB 3.24Å; D255-R259 PolarHBondContact O-N 3.07Å; D255-R259 IonicContact OD1-NH1 3.88Å; D255-R259 WeakPolarHBondContact OD2-CD 3.2Å; D255-R259 IonicContact OD2-CZ 3.36Å; D255-R259 IonicContact OD2-NE 3.71Å; D255-R259 IonicContact OD2-NH1 2.88Å; D255-R259 PolarHBondContact OD2-NH1 3.41Å
256Y81.3Confident84.2Confident28 Ų2879.6 Ų79.611%0.1142%0.418CS..THydrogen-bonded Turntrans-59.8-38.3-172.1-166.3-103.4000113.2E242 V252 P253 F254 T258 P304 W307 K308E242-Y256 HydrophobicContact CB-CE1 3.95Å; E242-Y256 HydrophobicContact CG-CE1 4.13Å; E242-Y256 WeakPolarHBondContact OE2-CE1 3.12Å; E242-Y256 PolarHBondContact OE2-OH 3.42Å; V252-Y256 HydrophobicContact CG1-CD1 3.6Å; V252-Y256 HydrophobicContact CG1-CD2 4.23Å; V252-Y256 HydrophobicContact CG1-CE1 4.44Å; V252-Y256 HydrophobicContact CG1-CG 3.48Å; V252-Y256 VanDerWaalsContact CG1-CG 3.48Å; P253-Y256 WeakPolarHBondContact O-CB 3.39Å; P253-Y256 PolarHBondContact O-N 2.92Å; F254-Y256 VanDerWaalsContact C-N 3.29Å; Y256-T258 PolarHBondContact O-N 3.49Å; Y256-P304 WeakPolarHBondContact CE1-O 3.17Å; Y256-P304 WeakPolarHBondContact O-CB 3.35Å; Y256-W307 PolarHBondContact OH-NE1 2.86Å; Y256-K308 WeakPolarHBondContact OH-CE 3.23Å; Y256-K308 PolarHBondContact OH-NZ 3.13Å
257A80.6Confident84.6Confident55 Ų5578.8 Ų78.846%0.45541%0.407SS..THydrogen-bonded Turntrans-68.9-21.2175.800000113.4D255D255-A257 VanDerWaalsContact C-N 3.31Å; D255-A257 PolarHBondContact O-N 3.32Å
258T83.1Confident85Confident107 Ų10786 Ų8666%0.65643%0.434SS*.THydrogen-bonded Turntrans-102.1-26.9-176.161.90000113.6D255 Y256D255-T258 CarbonylContact O-C 3.59Å; D255-T258 WeakPolarHBondContact O-CA 3.43Å; D255-T258 PolarHBondContact O-N 2.98Å; D255-T258 PolarHBondContact O-OG1 3.08Å; Y256-T258 PolarHBondContact O-N 3.49Å
259R87.8Confident85.7Confident144 Ų14482.8 Ų82.854%0.54342%0.419SS..SBendtrans-98.8107.9-172.4-172.7177.271.6-166.37111.1D255D255-R259 WeakPolarHBondContact O-CB 3.24Å; D255-R259 PolarHBondContact O-N 3.07Å; D255-R259 IonicContact OD1-NH1 3.88Å; D255-R259 WeakPolarHBondContact OD2-CD 3.2Å; D255-R259 IonicContact OD2-CZ 3.36Å; D255-R259 IonicContact OD2-NE 3.71Å; D255-R259 IonicContact OD2-NH1 2.88Å; D255-R259 PolarHBondContact OD2-NH1 3.41Å
260D91.1Very high87.2Confident59 Ų5976.9 Ų76.932%0.31639%0.387SS..PPolyproline II helixtrans-56.6135.1174.1-70.612.9000111.6R227 P304R227-D260 IonicContact CZ-OD1 3.77Å; R227-D260 VanDerWaalsContact CZ-OD1 3.3Å; R227-D260 IonicContact CZ-OD2 3.69Å; R227-D260 IonicContact NH1-OD1 3.87Å; R227-D260 PolarHBondContact NH1-OD1 3.12Å; R227-D260 IonicContact NH1-OD2 2.62Å; R227-D260 PolarHBondContact NH1-OD2 3.13Å; R227-D260 IonicContact NH2-OD1 3.41Å; R227-D260 PolarHBondContact NH2-OD1 3.33Å; D260-P304 WeakPolarHBondContact OD1-CG 3.22Å
261P93Very high88.6Confident15 Ų1574.8 Ų74.810%0.09737%0.373CS..PPolyproline II helixtrans-72.5141.4179.731.1-36.7000111.8Y221 I224 T265 V266 W307Y221-P261 WeakPolarHBondContact CE2-O 3.43Å; I224-P261 HydrophobicContact CD1-CG 3.83Å; I224-P261 HydrophobicContact CG2-CG 4.43Å; P261-T265 HydrophobicContact CB-CG2 4.5Å; P261-V266 HydrophobicContact CB-CG2 4.01Å; P261-V266 HydrophobicContact CG-CG2 3.86Å; P261-W307 HydrophobicContact CB-CZ2 3.99Å; P261-W307 HydrophobicContact CG-CD2 4.22Å; P261-W307 HydrophobicContact CG-CG 4.43Å; P261-W307 HydrophobicContact CG-CZ2 4.17Å
262D94.3Very high89.9Confident111 Ų11172 Ų7259%0.59435%0.352SS*.PPolyproline II helixtrans-64.4149.7170.8-68.8-39.9000111.7K264 T265 V266D262-K264 PolarHBondContact O-N 3.31Å; D262-T265 WeakPolarHBondContact O-CA 3.47Å; D262-T265 WeakPolarHBondContact O-CB 3.21Å; D262-T265 PolarHBondContact O-N 3.21Å; D262-V266 PolarHBondContact O-N 2.99Å; D262-V266 VanDerWaalsContact O-N 3.11Å
263L94.6Very high90.8Very high57 Ų5770.2 Ų70.230%0.29834%0.34SS..Hα-helixtrans-52.7-34.7173.7175.761.3000112.5A217 Q218 Y221 T265 Y267A217-L263 HydrophobicContact CB-CD1 4.44Å; Q218-L263 HydrophobicContact CB-CD1 4.41Å; Q218-L263 HydrophobicContact CG-CD1 3.71Å; Q218-L263 HydrophobicContact CG-CD2 3.91Å; Q218-L263 HydrophobicContact CG-CG 4.45Å; Y221-L263 HydrophobicContact CD1-CB 4.22Å; Y221-L263 HydrophobicContact CD1-CD1 4.33Å; Y221-L263 HydrophobicContact CD2-CB 4Å; Y221-L263 HydrophobicContact CE1-CB 4.48Å; Y221-L263 HydrophobicContact CE2-CB 4.29Å; Y221-L263 HydrophobicContact CG-CB 3.96Å; Y221-L263 HydrophobicContact CG-CD1 4.02Å; L263-T265 VanDerWaalsContact C-N 3.31Å; L263-T265 PolarHBondContact O-N 2.85Å; L263-Y267 WeakPolarHBondContact O-CB 3.34Å; L263-Y267 PolarHBondContact O-N 3.27Å
264K95.6Very high91.6Very high148 Ų14868 Ų6864%0.64333%0.325SS*.Hα-helixtrans-65.5-35.3177.4-173179-179.7-177.90112D262 R268D262-K264 PolarHBondContact O-N 3.31Å; K264-R268 VanDerWaalsContact O-CB 3.26Å; K264-R268 WeakPolarHBondContact O-CB 3.32Å; K264-R268 PolarHBondContact O-N 2.78Å
265T94.8Very high92.5Very high63 Ų6363.5 Ų63.539%0.38731%0.307SS..Hα-helixtrans-70.8-50.5178.3-58.90000110.1P261 D262 L263 Y267 R268 F269P261-T265 HydrophobicContact CB-CG2 4.5Å; D262-T265 WeakPolarHBondContact O-CA 3.47Å; D262-T265 WeakPolarHBondContact O-CB 3.21Å; D262-T265 PolarHBondContact O-N 3.21Å; L263-T265 VanDerWaalsContact C-N 3.31Å; L263-T265 PolarHBondContact O-N 2.85Å; T265-Y267 PolarHBondContact O-N 3.48Å; T265-R268 PolarHBondContact O-N 3.28Å; T265-F269 PolarHBondContact O-N 3Å
266V96.2Very high93.1Very high0 Ų067.4 Ų67.40%033%0.325CS..Hα-helixtrans-57-48.7175.4-179.70000110.8A217 I220 I224 P261 D262 R268 F269 I270 W307A217-V266 HydrophobicContact CB-CG1 4.35Å; I220-V266 HydrophobicContact CB-CG1 4.17Å; I220-V266 HydrophobicContact CG2-CG1 3.79Å; I224-V266 HydrophobicContact CD1-CG2 4.38Å; P261-V266 HydrophobicContact CB-CG2 4.01Å; P261-V266 HydrophobicContact CG-CG2 3.86Å; D262-V266 PolarHBondContact O-N 2.99Å; D262-V266 VanDerWaalsContact O-N 3.11Å; V266-R268 PolarHBondContact O-N 3.27Å; V266-F269 PolarHBondContact O-N 2.99Å; V266-I270 HydrophobicContact CG1-CD1 3.78Å; V266-I270 WeakPolarHBondContact O-CG1 3.2Å; V266-I270 PolarHBondContact O-N 2.9Å; V266-I270 VanDerWaalsContact O-N 3.1Å; V266-W307 HydrophobicContact CB-CH2 4.48Å; V266-W307 HydrophobicContact CB-CZ3 4.23Å; V266-W307 HydrophobicContact CG1-CZ3 4.11Å; V266-W307 HydrophobicContact CG2-CE3 4.3Å; V266-W307 HydrophobicContact CG2-CH2 4.1Å; V266-W307 HydrophobicContact CG2-CZ3 3.98Å
267Y96.5Very high93.8Very high50 Ų5066.7 Ų66.720%0.19633%0.325CS..Hα-helixtrans-62.3-40.7178.5176.6-111.8000113V213 R214 A217 L263 T265 R271V213-Y267 HydrophobicContact CG1-CE2 4.14Å; R214-Y267 HydrophobicContact CB-CD2 4.4Å; R214-Y267 HydrophobicContact CB-CE2 3.95Å; A217-Y267 HydrophobicContact CB-CD2 3.91Å; A217-Y267 HydrophobicContact CB-CG 4.4Å; L263-Y267 WeakPolarHBondContact O-CB 3.34Å; L263-Y267 PolarHBondContact O-N 3.27Å; T265-Y267 PolarHBondContact O-N 3.48Å; Y267-R271 HydrophobicContact CE2-CB 4.4Å; Y267-R271 WeakPolarHBondContact O-CB 3.42Å; Y267-R271 PolarHBondContact O-N 2.61Å
268R96Very high94.5Very high152 Ų15272.3 Ų72.357%0.57434%0.342SS*.Hα-helixtrans-64.5-42.7179.2-171.5-172.8-45.7-152.610.7111.3K264 T265 V266 N272K264-R268 VanDerWaalsContact O-CB 3.26Å; K264-R268 WeakPolarHBondContact O-CB 3.32Å; K264-R268 PolarHBondContact O-N 2.78Å; T265-R268 PolarHBondContact O-N 3.28Å; V266-R268 PolarHBondContact O-N 3.27Å; R268-N272 VanDerWaalsContact O-CB 3.31Å; R268-N272 WeakPolarHBondContact O-CB 3.15Å; R268-N272 PolarHBondContact O-N 2.96Å
269F95.7Very high95.1Very high23 Ų2368 Ų6810%0.10132%0.315CS..Hα-helixtrans-60.5-55.6178179.3-109.5000111.4I247 T265 V266 R271 N272 L273 W307 K308 V311 L312 L336I247-F269 HydrophobicContact CD1-CZ 4.47Å; T265-F269 PolarHBondContact O-N 3Å; V266-F269 PolarHBondContact O-N 2.99Å; F269-R271 PolarHBondContact O-N 2.74Å; F269-N272 WeakPolarHBondContact O-CB 3.44Å; F269-N272 PolarHBondContact O-N 3.28Å; F269-L273 HydrophobicContact CD1-CD1 4.28Å; F269-L273 HydrophobicContact CE1-CD1 3.74Å; F269-L273 HydrophobicContact CE2-CD1 4.29Å; F269-L273 HydrophobicContact CZ-CD1 3.75Å; F269-L273 PolarHBondContact O-N 3.46Å; F269-W307 HydrophobicContact CB-CH2 4.21Å; F269-W307 HydrophobicContact CB-CZ3 4.47Å; F269-W307 HydrophobicContact CD1-CH2 4.31Å; F269-W307 AromaticContact CD1-CZ3 3.95Å; F269-W307 HydrophobicContact CD1-CZ3 3.95Å; F269-W307 HydrophobicContact CG-CH2 4.37Å; F269-W307 HydrophobicContact CG-CZ3 4.44Å; F269-K308 HydrophobicContact CD1-CG 4.07Å; F269-K308 HydrophobicContact CD2-CD 4.15Å; F269-K308 HydrophobicContact CD2-CG 4.04Å; F269-K308 HydrophobicContact CE1-CG 3.68Å; F269-K308 HydrophobicContact CE2-CD 3.89Å; F269-K308 HydrophobicContact CE2-CG 3.66Å; F269-K308 HydrophobicContact CG-CG 4.23Å; F269-K308 HydrophobicContact CZ-CD 4.19Å; F269-K308 HydrophobicContact CZ-CG 3.46Å; F269-K308 VanDerWaalsContact CZ-CG 3.46Å; F269-V311 HydrophobicContact CD1-CG1 4.45Å; F269-V311 HydrophobicContact CE1-CG1 4.23Å; F269-L312 HydrophobicContact CE1-CB 4.49Å; F269-L312 HydrophobicContact CZ-CB 4.12Å; F269-L336 HydrophobicContact CE2-CD2 4.16Å
270I97.5Very high95.4Very high0 Ų062.4 Ų62.40%030%0.298CS..Hα-helixtrans-61.9-46.1-179.9-61.3166.4000110.5V213 L216 A217 I220 V266 N272 L273 F274 V311 I315V213-I270 HydrophobicContact CG1-CG2 3.92Å; L216-I270 HydrophobicContact CD2-CG2 4.01Å; L216-I270 HydrophobicContact CG-CD1 4.47Å; A217-I270 HydrophobicContact CB-CD1 3.89Å; I220-I270 HydrophobicContact CD1-CD1 3.52Å; V266-I270 HydrophobicContact CG1-CD1 3.78Å; V266-I270 WeakPolarHBondContact O-CG1 3.2Å; V266-I270 PolarHBondContact O-N 2.9Å; V266-I270 VanDerWaalsContact O-N 3.1Å; I270-N272 VanDerWaalsContact C-N 3.28Å; I270-N272 PolarHBondContact O-N 3.4Å; I270-L273 PolarHBondContact O-N 3.39Å; I270-F274 HydrophobicContact CG2-CD2 3.69Å; I270-F274 HydrophobicContact CG2-CE2 3.81Å; I270-F274 WeakPolarHBondContact O-CD2 3.32Å; I270-F274 PolarHBondContact O-N 2.7Å; I270-V311 HydrophobicContact CD1-CG1 4.37Å; I270-V311 HydrophobicContact CG1-CG1 3.98Å; I270-I315 HydrophobicContact CG2-CD1 4.34Å
271R96.7Very high95.6Very high104 Ų10460.6 Ų60.639%0.39229%0.29SS..Hα-helixtrans-59-40.4178.1177.9-178.3164.2-117.1-13.8111.6V213 Y267 F269 Q275V213-R271 HydrophobicContact CG1-CB 4.44Å; Y267-R271 HydrophobicContact CE2-CB 4.4Å; Y267-R271 WeakPolarHBondContact O-CB 3.42Å; Y267-R271 PolarHBondContact O-N 2.61Å; F269-R271 PolarHBondContact O-N 2.74Å; R271-Q275 HydrophobicContact CG-CG 4.03Å; R271-Q275 VanDerWaalsContact NE-CD 3.29Å; R271-Q275 VanDerWaalsContact NE-OE1 3.1Å; R271-Q275 VanDerWaalsContact O-CB 3.27Å; R271-Q275 WeakPolarHBondContact O-CB 3.26Å; R271-Q275 WeakPolarHBondContact O-CG 3.42Å; R271-Q275 PolarHBondContact O-N 3.2Å
272N96Very high95.7Very high63 Ų6362 Ų6234%0.33730%0.295SS..Hα-helixtrans-60.3-48.3178.5-173.250.7000110.9R268 F269 I270 Q275 M276R268-N272 VanDerWaalsContact O-CB 3.31Å; R268-N272 WeakPolarHBondContact O-CB 3.15Å; R268-N272 PolarHBondContact O-N 2.96Å; F269-N272 WeakPolarHBondContact O-CB 3.44Å; F269-N272 PolarHBondContact O-N 3.28Å; I270-N272 VanDerWaalsContact C-N 3.28Å; I270-N272 PolarHBondContact O-N 3.4Å; N272-Q275 PolarHBondContact O-N 3.31Å; N272-M276 WeakPolarHBondContact O-CB 3.46Å; N272-M276 VanDerWaalsContact O-CG 3.24Å; N272-M276 WeakPolarHBondContact O-CG 3.43Å; N272-M276 PolarHBondContact O-N 3.48Å
273L96.4Very high95.8Very high0 Ų056.8 Ų56.80%027%0.267CS..Hα-helixtrans-59.3-53.1177.4-65.5171.6000111.5F269 I270 Q275 M276 A277 L312 I315 Y332 I335 L336F269-L273 HydrophobicContact CD1-CD1 4.28Å; F269-L273 HydrophobicContact CE1-CD1 3.74Å; F269-L273 HydrophobicContact CE2-CD1 4.29Å; F269-L273 HydrophobicContact CZ-CD1 3.75Å; F269-L273 PolarHBondContact O-N 3.46Å; I270-L273 PolarHBondContact O-N 3.39Å; L273-Q275 VanDerWaalsContact C-N 3.29Å; L273-Q275 PolarHBondContact O-N 3.38Å; L273-M276 PolarHBondContact O-N 2.94Å; L273-A277 VanDerWaalsContact O-CB 3.25Å; L273-A277 WeakPolarHBondContact O-CB 3.29Å; L273-A277 PolarHBondContact O-N 3.18Å; L273-L312 HydrophobicContact CD1-CD1 3.91Å; L273-L312 HydrophobicContact CD2-CD1 3.96Å; L273-I315 HydrophobicContact CD1-CD1 3.64Å; L273-Y332 HydrophobicContact CD2-CD1 4.2Å; L273-Y332 HydrophobicContact CD2-CE1 4.44Å; L273-I335 HydrophobicContact CD2-CG2 4.16Å; L273-L336 HydrophobicContact CD2-CD1 4.06Å; L273-L336 HydrophobicContact CD2-CD2 4.35Å; L273-L336 HydrophobicContact CD2-CG 4.2Å
274F96.8Very high95.9Very high12 Ų1254 Ų545%0.05325%0.253CS..Hα-helixtrans-60.8-36-179.9-87.4-100.3000113.3V213 L216 I270 Q278 L279 S280 C283 A284 I315V213-F274 HydrophobicContact CG2-CB 4.24Å; V213-F274 HydrophobicContact CG2-CD1 3.76Å; V213-F274 HydrophobicContact CG2-CD2 4.43Å; V213-F274 HydrophobicContact CG2-CE1 4.29Å; V213-F274 HydrophobicContact CG2-CG 3.87Å; L216-F274 HydrophobicContact CD2-CE2 4.27Å; L216-F274 HydrophobicContact CD2-CZ 4.43Å; I270-F274 HydrophobicContact CG2-CD2 3.69Å; I270-F274 HydrophobicContact CG2-CE2 3.81Å; I270-F274 WeakPolarHBondContact O-CD2 3.32Å; I270-F274 PolarHBondContact O-N 2.7Å; F274-Q278 WeakPolarHBondContact O-CA 3.35Å; F274-Q278 PolarHBondContact O-N 3.38Å; F274-L279 HydrophobicContact CD1-CB 3.62Å; F274-L279 HydrophobicContact CD1-CD1 4.4Å; F274-L279 HydrophobicContact CD2-CD1 4.39Å; F274-L279 HydrophobicContact CE1-CB 3.86Å; F274-L279 HydrophobicContact CE1-CD1 4.39Å; F274-L279 HydrophobicContact CE2-CD1 4.41Å; F274-L279 HydrophobicContact CG-CB 4.19Å; F274-L279 HydrophobicContact CG-CD1 4.38Å; F274-L279 HydrophobicContact CZ-CD1 4.38Å; F274-L279 PolarHBondContact O-N 3.02Å; F274-S280 WeakPolarHBondContact CE1-O 3.37Å; F274-C283 HydrophobicContact CE1-CB 4.33Å; F274-A284 HydrophobicContact CE1-CB 3.66Å; F274-A284 HydrophobicContact CE2-CB 4.49Å; F274-A284 HydrophobicContact CZ-CB 3.54Å; F274-I315 HydrophobicContact CE2-CD1 3.99Å; F274-I315 HydrophobicContact CE2-CG1 4.08Å; F274-I315 HydrophobicContact CE2-CG2 4.3Å
275Q96Very high96Very high106 Ų10647 Ų4750%0.49522%0.222SC..Hα-helixtrans-76.6-44-179.8-73.3-170.3-28.400112.7R271 N272 L273R271-Q275 HydrophobicContact CG-CG 4.03Å; R271-Q275 VanDerWaalsContact NE-CD 3.29Å; R271-Q275 VanDerWaalsContact NE-OE1 3.1Å; R271-Q275 VanDerWaalsContact O-CB 3.27Å; R271-Q275 WeakPolarHBondContact O-CB 3.26Å; R271-Q275 WeakPolarHBondContact O-CG 3.42Å; R271-Q275 PolarHBondContact O-N 3.2Å; N272-Q275 PolarHBondContact O-N 3.31Å; L273-Q275 VanDerWaalsContact C-N 3.29Å; L273-Q275 PolarHBondContact O-N 3.38Å
276M95.6Very high96.1Very high118 Ų11844 Ų4458%0.58120%0.204SC*.Hα-helixtrans-76.7-37.5-175.9-63.7-62.8-65.900111.9N272 L273 Q278 I335N272-M276 WeakPolarHBondContact O-CB 3.46Å; N272-M276 VanDerWaalsContact O-CG 3.24Å; N272-M276 WeakPolarHBondContact O-CG 3.43Å; N272-M276 PolarHBondContact O-N 3.48Å; L273-M276 PolarHBondContact O-N 2.94Å; M276-Q278 VanDerWaalsContact C-N 3.29Å; M276-I335 HydrophobicContact CB-CB 4.36Å; M276-I335 HydrophobicContact CB-CD1 3.77Å; M276-I335 HydrophobicContact CB-CG1 3.7Å; M276-I335 HydrophobicContact CB-CG2 3.78Å; M276-I335 HydrophobicContact CG-CG2 4.11Å
277A95.3Very high96.1Very high14 Ų1444 Ų4412%0.11620%0.204CC..THydrogen-bonded Turntrans-862174.700000113.3L273 L279 V327 Y332 I335L273-A277 VanDerWaalsContact O-CB 3.25Å; L273-A277 WeakPolarHBondContact O-CB 3.29Å; L273-A277 PolarHBondContact O-N 3.18Å; A277-L279 HydrophobicContact CB-CD1 4.32Å; A277-L279 HydrophobicContact CB-CD2 3.93Å; A277-L279 HydrophobicContact CB-CG 3.82Å; A277-L279 PolarHBondContact O-N 3.5Å; A277-V327 HydrophobicContact CB-CG1 4.25Å; A277-V327 HydrophobicContact CB-CG2 4.23Å; A277-Y332 HydrophobicContact CB-CE1 4.32Å; A277-I335 HydrophobicContact CB-CD1 3.73Å
278Q95.3Very high96.1Very high173 Ų17341.6 Ų41.681%0.80819%0.194SC*.THydrogen-bonded Turntrans53.635.9177.9-57.8-172.4-24.100114.7F274 M276F274-Q278 WeakPolarHBondContact O-CA 3.35Å; F274-Q278 PolarHBondContact O-N 3.38Å; M276-Q278 VanDerWaalsContact C-N 3.29Å
279L95.8Very high96.1Very high15 Ų1534.4 Ų34.48%0.07917%0.167CC..  trans-71.7142.3-173-56.8-179.8000112.7F274 A277 I315 V327F274-L279 HydrophobicContact CD1-CB 3.62Å; F274-L279 HydrophobicContact CD1-CD1 4.4Å; F274-L279 HydrophobicContact CD2-CD1 4.39Å; F274-L279 HydrophobicContact CE1-CB 3.86Å; F274-L279 HydrophobicContact CE1-CD1 4.39Å; F274-L279 HydrophobicContact CE2-CD1 4.41Å; F274-L279 HydrophobicContact CG-CB 4.19Å; F274-L279 HydrophobicContact CG-CD1 4.38Å; F274-L279 HydrophobicContact CZ-CD1 4.38Å; F274-L279 PolarHBondContact O-N 3.02Å; A277-L279 HydrophobicContact CB-CD1 4.32Å; A277-L279 HydrophobicContact CB-CD2 3.93Å; A277-L279 HydrophobicContact CB-CG 3.82Å; A277-L279 PolarHBondContact O-N 3.5Å; L279-I315 HydrophobicContact CD1-CG2 3.5Å; L279-V327 HydrophobicContact CD2-CG2 4.02Å
280S94.9Very high96.2Very high28 Ų2833.3 Ų33.320%0.19616%0.162CC..  trans-64.6148.7173.460.50000112.9F274 E282 C283 D323F274-S280 WeakPolarHBondContact CE1-O 3.37Å; S280-E282 VanDerWaalsContact CB-OE2 3.32Å; S280-E282 WeakPolarHBondContact CB-OE2 3.27Å; S280-E282 PolarHBondContact O-N 3.4Å; S280-C283 VanDerWaalsContact O-CB 3.24Å; S280-C283 WeakPolarHBondContact O-CB 3.21Å; S280-C283 PolarHBondContact O-N 2.93Å; S280-D323 WeakPolarHBondContact CB-OD2 3.46Å; S280-D323 PolarHBondContact N-OD2 3.07Å; S280-D323 PolarHBondContact OG-OD2 2.96Å
281P94.8Very high96.1Very high21 Ų2133.3 Ų33.314%0.13616%0.162CC..Hα-helixtrans-62.4-26.217519.1-27.4000114.4P207 P209 T212 C283 A284P207-P281 HydrophobicContact CB-CB 3.97Å; P207-P281 HydrophobicContact CB-CG 4.38Å; P207-P281 HydrophobicContact CG-CB 3.81Å; P207-P281 HydrophobicContact CG-CG 3.93Å; P207-P281 WeakPolarHBondContact O-CG 2.98Å; P209-P281 HydrophobicContact CB-CB 4.28Å; P209-P281 HydrophobicContact CB-CG 4.29Å; T212-P281 HydrophobicContact CG2-CB 4.5Å; P281-C283 VanDerWaalsContact C-N 3.28Å; P281-C283 PolarHBondContact O-N 2.94Å; P281-A284 VanDerWaalsContact O-CB 3.29Å; P281-A284 WeakPolarHBondContact O-CB 3.25Å; P281-A284 PolarHBondContact O-N 3.41Å; P281-A284 VanDerWaalsContact O-N 3.13Å
282E95.4Very high96Very high45 Ų4528.3 Ų28.321%0.2114%0.143CC..Hα-helixtrans-62.3-37.9175-61.578.3-178.900110.8P207 S280 A284 I285 V286 Y366P207-E282 WeakPolarHBondContact CD-OE1 3.33Å; P207-E282 HydrophobicContact CG-CG 3.89Å; S280-E282 VanDerWaalsContact CB-OE2 3.32Å; S280-E282 WeakPolarHBondContact CB-OE2 3.27Å; S280-E282 PolarHBondContact O-N 3.4Å; E282-A284 PolarHBondContact O-N 3.49Å; E282-I285 WeakPolarHBondContact O-CB 3.24Å; E282-I285 PolarHBondContact O-N 2.79Å; E282-V286 PolarHBondContact O-N 3.04Å; E282-V286 VanDerWaalsContact O-N 3.16Å; E282-Y366 HydrophobicContact CB-CE2 4.35Å; E282-Y366 VanDerWaalsContact CG-OH 3.28Å; E282-Y366 WeakPolarHBondContact CG-OH 3.39Å
283C96.4Very high95.9Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-58.1-33.1173.1-176.90000112.5F274 S280 P281 I285 V286 T287 A318 S319F274-C283 HydrophobicContact CE1-CB 4.33Å; S280-C283 VanDerWaalsContact O-CB 3.24Å; S280-C283 WeakPolarHBondContact O-CB 3.21Å; S280-C283 PolarHBondContact O-N 2.93Å; P281-C283 VanDerWaalsContact C-N 3.28Å; P281-C283 PolarHBondContact O-N 2.94Å; C283-I285 VanDerWaalsContact C-N 3.33Å; C283-I285 PolarHBondContact O-N 2.92Å; C283-V286 PolarHBondContact O-N 2.96Å; C283-T287 WeakPolarHBondContact O-CB 3.34Å; C283-T287 PolarHBondContact O-N 3.49Å; C283-T287 PolarHBondContact O-OG1 3.23Å; C283-A318 VanDerWaalsContact SG-C 3.56Å; C283-S319 PolarHBondContact SG-N 3.32Å; C283-S319 VanDerWaalsContact SG-N 3.39Å
284A96.8Very high95.8Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-66.7-33.2175.600000113T212 L216 F274 P281 E282 M288T212-A284 HydrophobicContact CG2-CB 3.95Å; L216-A284 HydrophobicContact CD2-CB 3.85Å; F274-A284 HydrophobicContact CE1-CB 3.66Å; F274-A284 HydrophobicContact CE2-CB 4.49Å; F274-A284 HydrophobicContact CZ-CB 3.54Å; P281-A284 VanDerWaalsContact O-CB 3.29Å; P281-A284 WeakPolarHBondContact O-CB 3.25Å; P281-A284 PolarHBondContact O-N 3.41Å; P281-A284 VanDerWaalsContact O-N 3.13Å; E282-A284 PolarHBondContact O-N 3.49Å; A284-M288 PolarHBondContact O-N 3.42Å
285I96.5Very high95.5Very high0 Ų025.2 Ų25.20%013%0.127CC..Hα-helixtrans-71.9-44.6177.2-63.8153.5000109.3P207 T212 E282 C283 T287 M288 V289 Y366 Y370 I373P207-I285 HydrophobicContact CB-CD1 4.15Å; P207-I285 HydrophobicContact CG-CD1 3.98Å; T212-I285 HydrophobicContact CG2-CD1 4.29Å; T212-I285 HydrophobicContact CG2-CG1 4.01Å; E282-I285 WeakPolarHBondContact O-CB 3.24Å; E282-I285 PolarHBondContact O-N 2.79Å; C283-I285 VanDerWaalsContact C-N 3.33Å; C283-I285 PolarHBondContact O-N 2.92Å; I285-T287 VanDerWaalsContact C-N 3.34Å; I285-T287 PolarHBondContact O-N 2.91Å; I285-M288 WeakPolarHBondContact O-CB 3.29Å; I285-M288 PolarHBondContact O-N 3.24Å; I285-M288 VanDerWaalsContact O-N 3.15Å; I285-V289 PolarHBondContact O-N 3.44Å; I285-Y366 HydrophobicContact CB-CD2 4.25Å; I285-Y366 HydrophobicContact CB-CE2 3.74Å; I285-Y366 HydrophobicContact CD1-CE1 4.25Å; I285-Y366 HydrophobicContact CD1-CE2 3.95Å; I285-Y366 WeakPolarHBondContact CD1-OH 3.47Å; I285-Y366 HydrophobicContact CG1-CE2 4.47Å; I285-Y366 HydrophobicContact CG2-CD2 3.66Å; I285-Y366 HydrophobicContact CG2-CE2 3.63Å; I285-Y366 HydrophobicContact CG2-CG 4.21Å; I285-Y370 HydrophobicContact CD1-CD2 3.73Å; I285-Y370 HydrophobicContact CD1-CG 4.41Å; I285-I373 HydrophobicContact CG1-CD1 3.69Å
286V96.9Very high95.3Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-62.8-40.3176.2177.50000111.7E282 C283 M288 V289 Y290 A318 W322 V361 Y366E282-V286 PolarHBondContact O-N 3.04Å; E282-V286 VanDerWaalsContact O-N 3.16Å; C283-V286 PolarHBondContact O-N 2.96Å; V286-M288 PolarHBondContact O-N 3.43Å; V286-V289 WeakPolarHBondContact O-CB 3.42Å; V286-V289 PolarHBondContact O-N 2.93Å; V286-Y290 HydrophobicContact CG1-CD1 4.39Å; V286-Y290 HydrophobicContact CG1-CD2 4.09Å; V286-Y290 HydrophobicContact CG1-CE1 3.96Å; V286-Y290 HydrophobicContact CG1-CE2 3.65Å; V286-Y290 HydrophobicContact CG1-CG 4.44Å; V286-Y290 PolarHBondContact O-N 2.99Å; V286-A318 HydrophobicContact CB-CB 4.15Å; V286-A318 HydrophobicContact CG1-CB 3.87Å; V286-W322 HydrophobicContact CG2-CB 4.18Å; V286-W322 HydrophobicContact CG2-CD2 3.61Å; V286-W322 HydrophobicContact CG2-CE3 3.82Å; V286-W322 HydrophobicContact CG2-CG 3.76Å; V286-W322 HydrophobicContact CG2-CZ3 4.45Å; V286-V361 HydrophobicContact CG1-CG2 4.36Å; V286-Y366 HydrophobicContact CG2-CD2 4.35Å; V286-Y366 HydrophobicContact CG2-CE2 4.45Å
287T97.7Very high95Very high0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-53.2-43.8173.4-60.80000111L216 C283 I285 V289 Y290 L291 A314 I315 A318L216-T287 HydrophobicContact CD1-CG2 4.49Å; L216-T287 HydrophobicContact CD2-CG2 4.16Å; C283-T287 WeakPolarHBondContact O-CB 3.34Å; C283-T287 PolarHBondContact O-N 3.49Å; C283-T287 PolarHBondContact O-OG1 3.23Å; I285-T287 VanDerWaalsContact C-N 3.34Å; I285-T287 PolarHBondContact O-N 2.91Å; T287-V289 VanDerWaalsContact C-N 3.33Å; T287-V289 PolarHBondContact O-N 3.39Å; T287-Y290 PolarHBondContact O-N 3.15Å; T287-L291 HydrophobicContact CG2-CD1 4.13Å; T287-L291 HydrophobicContact CG2-CG 4.46Å; T287-L291 WeakPolarHBondContact O-CB 3.44Å; T287-L291 WeakPolarHBondContact O-CG 3.28Å; T287-L291 PolarHBondContact O-N 3.3Å; T287-A314 HydrophobicContact CG2-CB 3.96Å; T287-I315 HydrophobicContact CG2-CG1 3.62Å; T287-A318 WeakPolarHBondContact OG1-CB 3.39Å
288M96.2Very high94.7Very high0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-64.6-36.9178.9-165.969.6-140.500112.5F154 L216 A219 A284 I285 V286 E292 Y369 I373F154-M288 HydrophobicContact CB-CE 4.47Å; F154-M288 HydrophobicContact CD1-CE 3.38Å; F154-M288 HydrophobicContact CD1-SD 4.42Å; F154-M288 HydrophobicContact CE1-CE 3.83Å; F154-M288 HydrophobicContact CE1-CG 4.19Å; F154-M288 HydrophobicContact CE1-SD 4.39Å; F154-M288 HydrophobicContact CG-CE 4.23Å; L216-M288 HydrophobicContact CD1-CB 4Å; L216-M288 HydrophobicContact CD1-CG 4.44Å; L216-M288 HydrophobicContact CD1-SD 3.74Å; A219-M288 HydrophobicContact CB-CE 4.09Å; A219-M288 HydrophobicContact CB-SD 3.63Å; A284-M288 PolarHBondContact O-N 3.42Å; I285-M288 WeakPolarHBondContact O-CB 3.29Å; I285-M288 PolarHBondContact O-N 3.24Å; I285-M288 VanDerWaalsContact O-N 3.15Å; V286-M288 PolarHBondContact O-N 3.43Å; M288-E292 HydrophobicContact CE-CG 4.02Å; M288-E292 PolarHBondContact O-N 3.3Å; M288-Y369 HydrophobicContact CB-CD1 3.96Å; M288-Y369 HydrophobicContact CG-CD1 3.64Å; M288-Y369 HydrophobicContact CG-CE1 4.01Å; M288-I373 HydrophobicContact CB-CG2 4.4Å; M288-I373 HydrophobicContact CG-CG2 3.85Å; M288-I373 HydrophobicContact SD-CG2 4.38Å
289V96.6Very high94.3Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-64.1-49.1175-179.30000110.4I285 V286 T287 L291 E292 R293 V361 V365 Y369I285-V289 PolarHBondContact O-N 3.44Å; V286-V289 WeakPolarHBondContact O-CB 3.42Å; V286-V289 PolarHBondContact O-N 2.93Å; T287-V289 VanDerWaalsContact C-N 3.33Å; T287-V289 PolarHBondContact O-N 3.39Å; V289-L291 VanDerWaalsContact C-N 3.33Å; V289-L291 PolarHBondContact O-N 3.43Å; V289-E292 PolarHBondContact O-N 3.03Å; V289-R293 PolarHBondContact O-N 3.15Å; V289-V361 HydrophobicContact CB-CG2 4.46Å; V289-V361 HydrophobicContact CG1-CG1 4.43Å; V289-V361 HydrophobicContact CG1-CG2 4.04Å; V289-V361 HydrophobicContact CG2-CG1 4.16Å; V289-V365 HydrophobicContact CG1-CG1 4.24Å; V289-V365 HydrophobicContact CG2-CG1 4.25Å; V289-Y369 HydrophobicContact CG2-CD1 3.94Å; V289-Y369 HydrophobicContact CG2-CD2 3.63Å; V289-Y369 HydrophobicContact CG2-CE1 4.24Å; V289-Y369 HydrophobicContact CG2-CE2 3.94Å; V289-Y369 HydrophobicContact CG2-CG 3.62Å
290Y97.2Very high93.9Very high0 Ų018.5 Ų18.50%011%0.105CC..Hα-helixtrans-65.3-36.1-178.9-68.4-9.8000112.8V286 T287 R293 L294 L317 A318 V321 F351 I359 V361V286-Y290 HydrophobicContact CG1-CD1 4.39Å; V286-Y290 HydrophobicContact CG1-CD2 4.09Å; V286-Y290 HydrophobicContact CG1-CE1 3.96Å; V286-Y290 HydrophobicContact CG1-CE2 3.65Å; V286-Y290 HydrophobicContact CG1-CG 4.44Å; V286-Y290 PolarHBondContact O-N 2.99Å; T287-Y290 PolarHBondContact O-N 3.15Å; Y290-R293 PolarHBondContact O-N 2.89Å; Y290-L294 PolarHBondContact O-N 2.62Å; Y290-L317 HydrophobicContact CD2-CB 4.12Å; Y290-L317 HydrophobicContact CE2-CB 4.22Å; Y290-A318 HydrophobicContact CD2-CB 4.09Å; Y290-A318 HydrophobicContact CE2-CB 4.15Å; Y290-V321 WeakPolarHBondContact OH-CG1 3.39Å; Y290-F351 WeakPolarHBondContact O-CZ 3.27Å; Y290-I359 PolarHBondContact OH-O 2.93Å; Y290-V361 HydrophobicContact CE1-CG2 3.86Å
291L95.8Very high93.6Very high0 Ų017.4 Ų17.40%010%0.097CC..Hα-helixtrans-58.6-50.3172-78.4172.2000111.5I220 T287 V289 R293 L294 L295 I310 V311 A314I220-L291 HydrophobicContact CD1-CD1 3.75Å; I220-L291 HydrophobicContact CG1-CD1 3.78Å; T287-L291 HydrophobicContact CG2-CD1 4.13Å; T287-L291 HydrophobicContact CG2-CG 4.46Å; T287-L291 WeakPolarHBondContact O-CB 3.44Å; T287-L291 WeakPolarHBondContact O-CG 3.28Å; T287-L291 PolarHBondContact O-N 3.3Å; V289-L291 VanDerWaalsContact C-N 3.33Å; V289-L291 PolarHBondContact O-N 3.43Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.16Å; L291-L294 PolarHBondContact O-N 2.65Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.5Å; L291-L295 PolarHBondContact O-N 3.42Å; L291-I310 HydrophobicContact CD2-CG2 3.54Å; L291-V311 HydrophobicContact CD1-CG2 4.28Å; L291-V311 HydrophobicContact CD2-CG2 4.15Å; L291-A314 HydrophobicContact CD2-CB 3.73Å; L291-A314 HydrophobicContact CG-CB 3.73Å
292E93.6Very high93.5Very high0 Ų016.4 Ų16.40%09%0.09CC..Hα-helixtrans-67.2-32.9179.9-68.2-159167.200112.9T152 L153 F154 Q223 M288 V289 L295 T296 Y369T152-E292 WeakPolarHBondContact CA-OE2 3.36Å; T152-E292 WeakPolarHBondContact CB-OE1 3.47Å; L153-E292 HydrophobicContact CB-CG 4.41Å; L153-E292 WeakPolarHBondContact CB-OE1 3.2Å; L153-E292 HydrophobicContact CD1-CB 4.32Å; L153-E292 HydrophobicContact CD1-CG 4.31Å; L153-E292 HydrophobicContact CG-CG 4.44Å; L153-E292 VanDerWaalsContact N-CD 3.32Å; L153-E292 PolarHBondContact N-OE1 3.43Å; L153-E292 PolarHBondContact N-OE2 3.24Å; F154-E292 VanDerWaalsContact CD1-OE1 3.28Å; F154-E292 WeakPolarHBondContact CD1-OE1 3.34Å; F154-E292 PolarHBondContact N-OE1 3.09Å; Q223-E292 PolarHBondContact NE2-OE1 3.12Å; M288-E292 HydrophobicContact CE-CG 4.02Å; M288-E292 PolarHBondContact O-N 3.3Å; V289-E292 PolarHBondContact O-N 3.03Å; E292-L295 PolarHBondContact O-N 3.44Å; E292-T296 WeakPolarHBondContact O-CB 3.4Å; E292-T296 PolarHBondContact O-N 3.34Å; E292-T296 PolarHBondContact O-OG1 2.72Å; E292-Y369 HydrophobicContact CB-CE1 4.42Å; E292-Y369 HydrophobicContact CG-CE1 4.1Å; E292-Y369 PolarHBondContact OE2-OH 3.26Å
293R94.6Very high93.2Very high3 Ų315.4 Ų15.41%0.0119%0.088CC..Hα-helixtrans-58.1-53.3170.5-77.8177.8-177.2174.92.4111.4S145 V289 Y290 L291 L295 T296 S297 I355 N358 N360S145-R293 VanDerWaalsContact CB-CG 3.49Å; S145-R293 PolarHBondContact O-NH2 3.08Å; S145-R293 WeakPolarHBondContact OG-CG 3.35Å; S145-R293 PolarHBondContact OG-NE 2.79Å; V289-R293 PolarHBondContact O-N 3.15Å; Y290-R293 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.16Å; R293-L295 VanDerWaalsContact C-N 3.33Å; R293-L295 PolarHBondContact O-N 3.47Å; R293-T296 PolarHBondContact O-N 2.95Å; R293-S297 WeakPolarHBondContact O-CB 3.41Å; R293-S297 PolarHBondContact O-N 3.48Å; R293-S297 PolarHBondContact O-OG 3.13Å; R293-S297 VanDerWaalsContact O-OG 3.07Å; R293-I355 HydrophobicContact CB-CB 4.43Å; R293-I355 HydrophobicContact CB-CG2 3.88Å; R293-N358 WeakPolarHBondContact CD-O 3.42Å; R293-N358 PolarHBondContact NH1-O 2.98Å; R293-N358 PolarHBondContact NH1-OD1 3.03Å; R293-N360 VanDerWaalsContact CZ-O 3.28Å; R293-N360 PolarHBondContact NH1-O 3.15Å; R293-N360 PolarHBondContact NH2-O 3.28Å
294L93.7Very high92.9Very high1 Ų115.5 Ų15.51%0.0059%0.088CC..Hα-helixtrans-59.2-45.8-179.8179.9144.1000111.7F240 Y290 L291 T296 S297 A298 T300 I310 F351 I354 I355F240-L294 HydrophobicContact CE1-CD1 4.4Å; F240-L294 HydrophobicContact CE2-CD1 3.96Å; F240-L294 HydrophobicContact CZ-CD1 3.65Å; Y290-L294 PolarHBondContact O-N 2.62Å; L291-L294 PolarHBondContact O-N 2.65Å; L294-T296 VanDerWaalsContact C-N 3.28Å; L294-T296 PolarHBondContact O-N 3.27Å; L294-S297 PolarHBondContact O-N 2.75Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.17Å; L294-T300 HydrophobicContact CD2-CG2 4.3Å; L294-I310 HydrophobicContact CD2-CD1 4.26Å; L294-I310 HydrophobicContact CD2-CG2 3.97Å; L294-F351 HydrophobicContact CB-CE1 4.07Å; L294-F351 HydrophobicContact CB-CE2 4.09Å; L294-F351 HydrophobicContact CB-CZ 3.72Å; L294-F351 HydrophobicContact CD1-CB 4.4Å; L294-F351 HydrophobicContact CD1-CD1 4.07Å; L294-F351 HydrophobicContact CD1-CD2 3.21Å; L294-F351 HydrophobicContact CD1-CE1 4.1Å; L294-F351 HydrophobicContact CD1-CE2 3.29Å; L294-F351 HydrophobicContact CD1-CG 3.64Å; L294-F351 HydrophobicContact CD1-CZ 3.74Å; L294-F351 HydrophobicContact CG-CE2 4.26Å; L294-F351 HydrophobicContact CG-CZ 4.36Å; L294-I354 HydrophobicContact CD1-CD1 4.45Å; L294-I354 HydrophobicContact CD1-CG2 4.48Å; L294-I354 HydrophobicContact CG-CG2 4.07Å; L294-I355 HydrophobicContact CB-CG2 4.12Å
295L91.4Very high92.5Very high5 Ų516.4 Ų16.43%0.0269%0.094CC..Hα-helixtrans-63.9-34.7-179.8-64.8175.7000112.4L153 L291 E292 R293 E299 T300 L302L153-L295 HydrophobicContact CD1-CB 4.39Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.5Å; L291-L295 PolarHBondContact O-N 3.42Å; E292-L295 PolarHBondContact O-N 3.44Å; R293-L295 VanDerWaalsContact C-N 3.33Å; R293-L295 PolarHBondContact O-N 3.47Å; L295-E299 WeakPolarHBondContact O-CA 3.4Å; L295-E299 PolarHBondContact O-N 3.37Å; L295-T300 HydrophobicContact CD2-CG2 4.02Å; L295-T300 PolarHBondContact O-N 3.3Å; L295-L302 HydrophobicContact CD1-CD1 4.46Å; L295-L302 HydrophobicContact CD1-CG 4.01Å; L295-L302 HydrophobicContact CD2-CD2 3.96Å; L295-L302 HydrophobicContact CD2-CG 3.98Å
296T90.3Very high92.3Very high44 Ų4416.5 Ų16.527%0.2710%0.095SC..Hα-helixtrans-76.6-47.7178.3-52.30000111.1D143 E292 R293 L294 E299D143-T296 HydrophobicContact CB-CG2 4.04Å; E292-T296 WeakPolarHBondContact O-CB 3.4Å; E292-T296 PolarHBondContact O-N 3.34Å; E292-T296 PolarHBondContact O-OG1 2.72Å; R293-T296 PolarHBondContact O-N 2.95Å; L294-T296 VanDerWaalsContact C-N 3.28Å; L294-T296 PolarHBondContact O-N 3.27Å; T296-E299 PolarHBondContact O-N 3.1Å
297S89.6Confident92.1Very high59 Ų5916.6 Ų16.641%0.41310%0.095SC..Hα-helixtrans-68.5-37-177.5-58.90000113.5R293 L294 E299 I354R293-S297 WeakPolarHBondContact O-CB 3.41Å; R293-S297 PolarHBondContact O-N 3.48Å; R293-S297 PolarHBondContact O-OG 3.13Å; R293-S297 VanDerWaalsContact O-OG 3.07Å; L294-S297 PolarHBondContact O-N 2.75Å; S297-E299 VanDerWaalsContact C-N 3.29Å; S297-I354 WeakPolarHBondContact CB-O 3.45Å
298A88.3Confident91.9Very high23 Ų2317.5 Ų17.519%0.1910%0.1CC..THydrogen-bonded Turntrans-88.96.5174.200000113.3L294 T300 I354L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.17Å; A298-T300 HydrophobicContact CB-CG2 3.78Å; A298-T300 PolarHBondContact O-N 2.87Å; A298-T300 VanDerWaalsContact O-N 3.09Å; A298-I354 HydrophobicContact CB-CG2 3.71Å
299E87.3Confident91.8Very high156 Ų15617.5 Ų17.573%0.72910%0.1SC*.THydrogen-bonded Turntrans42.846.8-175.6-61.7-173.5-178.900112.6I231 L295 T296 S297I231-E299 WeakPolarHBondContact CG2-O 3.14Å; L295-E299 WeakPolarHBondContact O-CA 3.4Å; L295-E299 PolarHBondContact O-N 3.37Å; T296-E299 PolarHBondContact O-N 3.1Å; S297-E299 VanDerWaalsContact C-N 3.29Å
300T87.7Confident91.8Very high3 Ų317.5 Ų17.52%0.01810%0.1CC..  trans-129.2174.8-169.9-164.10000113.1I237 L294 L295 A298I237-T300 VanDerWaalsContact CD1-CB 3.46Å; I237-T300 HydrophobicContact CD1-CG2 3.81Å; I237-T300 WeakPolarHBondContact CD1-OG1 3.44Å; L294-T300 HydrophobicContact CD2-CG2 4.3Å; L295-T300 HydrophobicContact CD2-CG2 4.02Å; L295-T300 PolarHBondContact O-N 3.3Å; A298-T300 HydrophobicContact CB-CG2 3.78Å; A298-T300 PolarHBondContact O-N 2.87Å; A298-T300 VanDerWaalsContact O-N 3.09Å
301E89.2Confident91.8Very high5 Ų517.5 Ų17.52%0.02310%0.1CC..  trans-125.2149.1-173.7-69.1-66.4166.400110.8R157 R227 N228 I231 T303R157-E301 IonicContact CZ-OE1 3.27Å; R157-E301 IonicContact CZ-OE2 2.93Å; R157-E301 IonicContact NH1-OE1 3.93Å; R157-E301 PolarHBondContact NH1-OE1 3.31Å; R157-E301 IonicContact NH1-OE2 2.83Å; R157-E301 PolarHBondContact NH1-OE2 3.4Å; R157-E301 IonicContact NH2-OE1 3.1Å; R157-E301 PolarHBondContact NH2-OE1 3.48Å; R157-E301 IonicContact NH2-OE2 3.3Å; R227-E301 HydrophobicContact CB-CB 4.2Å; R227-E301 HydrophobicContact CB-CG 4.5Å; N228-E301 HydrophobicContact CB-CG 4.4Å; I231-E301 HydrophobicContact CB-CG 4.1Å; I231-E301 HydrophobicContact CD1-CG 3.99Å; I231-E301 WeakPolarHBondContact CD1-OE1 3.49Å; I231-E301 HydrophobicContact CG2-CG 4.41Å; E301-T303 PolarHBondContact O-N 3.41Å; E301-T303 VanDerWaalsContact O-N 3.17Å
302L91.7Very high91.8Very high0 Ų017.6 Ų17.60%010%0.1CC..  trans-71.3111.7169.2-66.9-179.8000109.3I220 Q223 I224 R227 L295 W307 I310I220-L302 HydrophobicContact CG2-CD1 4.2Å; Q223-L302 HydrophobicContact CB-CD1 4.03Å; Q223-L302 VanDerWaalsContact OE1-CD1 3.23Å; I224-L302 HydrophobicContact CG1-CB 3.79Å; I224-L302 HydrophobicContact CG1-CD1 4.32Å; R227-L302 WeakPolarHBondContact CD-O 3.46Å; L295-L302 HydrophobicContact CD1-CD1 4.46Å; L295-L302 HydrophobicContact CD1-CG 4.01Å; L295-L302 HydrophobicContact CD2-CD2 3.96Å; L295-L302 HydrophobicContact CD2-CG 3.98Å; L302-W307 HydrophobicContact CB-CB 4.43Å; L302-I310 HydrophobicContact CD2-CB 4.05Å; L302-I310 HydrophobicContact CD2-CD1 3.86Å; L302-I310 HydrophobicContact CD2-CG2 3.75Å
303T90.3Very high91.9Very high25 Ų2517.7 Ų17.715%0.15310%0.1CC..  trans-99161.9176.370.40000110.6E301 S305 S306 W307E301-T303 PolarHBondContact O-N 3.41Å; E301-T303 VanDerWaalsContact O-N 3.17Å; T303-S305 PolarHBondContact O-N 2.92Å; T303-S305 PolarHBondContact OG1-OG 3.16Å; T303-S305 VanDerWaalsContact OG1-OG 3.05Å; T303-S306 PolarHBondContact N-OG 3.38Å; T303-S306 PolarHBondContact O-N 2.94Å; T303-S306 WeakPolarHBondContact OG1-CB 3.34Å; T303-S306 PolarHBondContact OG1-N 2.92Å; T303-S306 VanDerWaalsContact OG1-N 3.15Å; T303-S306 PolarHBondContact OG1-OG 3Å; T303-W307 WeakPolarHBondContact O-CB 3.01Å; T303-W307 PolarHBondContact O-N 3.25Å
304P89.9Confident92.1Very high2 Ų217.5 Ų17.51%0.01310%0.1CC..THydrogen-bonded Turntrans-58.1-29.2174-28.238.5000114.2Y256 D260 W307Y256-P304 WeakPolarHBondContact CE1-O 3.17Å; Y256-P304 WeakPolarHBondContact O-CB 3.35Å; D260-P304 WeakPolarHBondContact OD1-CG 3.22Å; P304-W307 PolarHBondContact O-NE1 3.23Å
305S88.6Confident92.2Very high18 Ų1817.5 Ų17.513%0.12610%0.1CC..THydrogen-bonded Turntrans-80.3-30175.855.70000113.6E242 T303E242-S305 WeakPolarHBondContact CB-O 3.28Å; E242-S305 PolarHBondContact N-O 3.37Å; T303-S305 PolarHBondContact O-N 2.92Å; T303-S305 PolarHBondContact OG1-OG 3.16Å; T303-S305 VanDerWaalsContact OG1-OG 3.05Å
306S91Very high92.5Very high3 Ų317.3 Ų17.32%0.02110%0.099CC..THydrogen-bonded Turntrans-102.1-24.8-171.172.30000115.4F240 T303 K308 R309 I310F240-S306 VanDerWaalsContact O-CA 3.29Å; F240-S306 WeakPolarHBondContact O-CA 3.36Å; T303-S306 PolarHBondContact N-OG 3.38Å; T303-S306 PolarHBondContact O-N 2.94Å; T303-S306 WeakPolarHBondContact OG1-CB 3.34Å; T303-S306 PolarHBondContact OG1-N 2.92Å; T303-S306 VanDerWaalsContact OG1-N 3.15Å; T303-S306 PolarHBondContact OG1-OG 3Å; S306-K308 PolarHBondContact O-N 2.6Å; S306-K308 VanDerWaalsContact O-N 3.07Å; S306-R309 PolarHBondContact O-N 3.2Å; S306-I310 WeakPolarHBondContact O-CG1 3.35Å; S306-I310 PolarHBondContact O-N 3.28Å; S306-I310 VanDerWaalsContact O-N 3.09Å; S306-I310 WeakPolarHBondContact OG-CD1 3.33Å
307W93.8Very high92.8Very high1 Ų115.5 Ų15.50%0.0049%0.087CC..Hα-helixtrans-56.3-36.9-167.373.9-81.3000113.5I224 Y256 P261 V266 F269 L302 T303 P304 V311I224-W307 HydrophobicContact CD1-CB 3.62Å; I224-W307 HydrophobicContact CD1-CD2 3.97Å; I224-W307 HydrophobicContact CD1-CE3 4.3Å; I224-W307 HydrophobicContact CD1-CG 3.64Å; I224-W307 HydrophobicContact CG1-CB 4.04Å; I224-W307 HydrophobicContact CG1-CG 4.49Å; Y256-W307 PolarHBondContact OH-NE1 2.86Å; P261-W307 HydrophobicContact CB-CZ2 3.99Å; P261-W307 HydrophobicContact CG-CD2 4.22Å; P261-W307 HydrophobicContact CG-CG 4.43Å; P261-W307 HydrophobicContact CG-CZ2 4.17Å; V266-W307 HydrophobicContact CB-CH2 4.48Å; V266-W307 HydrophobicContact CB-CZ3 4.23Å; V266-W307 HydrophobicContact CG1-CZ3 4.11Å; V266-W307 HydrophobicContact CG2-CE3 4.3Å; V266-W307 HydrophobicContact CG2-CH2 4.1Å; V266-W307 HydrophobicContact CG2-CZ3 3.98Å; F269-W307 HydrophobicContact CB-CH2 4.21Å; F269-W307 HydrophobicContact CB-CZ3 4.47Å; F269-W307 HydrophobicContact CD1-CH2 4.31Å; F269-W307 AromaticContact CD1-CZ3 3.95Å; F269-W307 HydrophobicContact CD1-CZ3 3.95Å; F269-W307 HydrophobicContact CG-CH2 4.37Å; F269-W307 HydrophobicContact CG-CZ3 4.44Å; L302-W307 HydrophobicContact CB-CB 4.43Å; T303-W307 WeakPolarHBondContact O-CB 3.01Å; T303-W307 PolarHBondContact O-N 3.25Å; P304-W307 PolarHBondContact O-NE1 3.23Å; W307-V311 HydrophobicContact CE3-CG2 4.43Å; W307-V311 WeakPolarHBondContact O-CB 3.11Å; W307-V311 WeakPolarHBondContact O-CG2 3.49Å; W307-V311 PolarHBondContact O-N 3.35Å
308K93.7Very high93.1Very high20 Ų2012.7 Ų12.79%0.0877%0.068CC..Hα-helixtrans-69.9-45.1-173.3-162.3-174.7-69.8159.60111.4E242 I247 Y256 F269 S306 L312E242-K308 WeakPolarHBondContact OE1-CD 3.48Å; E242-K308 WeakPolarHBondContact OE1-CE 3.35Å; E242-K308 IonicContact OE1-NZ 3.11Å; E242-K308 PolarHBondContact OE1-NZ 3.03Å; E242-K308 WeakPolarHBondContact OE2-CB 3.49Å; E242-K308 WeakPolarHBondContact OE2-CD 3.27Å; E242-K308 WeakPolarHBondContact OE2-CE 3.46Å; E242-K308 IonicContact OE2-NZ 3.54Å; E242-K308 PolarHBondContact OE2-NZ 3.2Å; I247-K308 HydrophobicContact CD1-CB 4.06Å; I247-K308 HydrophobicContact CD1-CD 3.72Å; I247-K308 HydrophobicContact CD1-CG 3.63Å; Y256-K308 WeakPolarHBondContact OH-CE 3.23Å; Y256-K308 PolarHBondContact OH-NZ 3.13Å; F269-K308 HydrophobicContact CD1-CG 4.07Å; F269-K308 HydrophobicContact CD2-CD 4.15Å; F269-K308 HydrophobicContact CD2-CG 4.04Å; F269-K308 HydrophobicContact CE1-CG 3.68Å; F269-K308 HydrophobicContact CE2-CD 3.89Å; F269-K308 HydrophobicContact CE2-CG 3.66Å; F269-K308 HydrophobicContact CG-CG 4.23Å; F269-K308 HydrophobicContact CZ-CD 4.19Å; F269-K308 HydrophobicContact CZ-CG 3.46Å; F269-K308 VanDerWaalsContact CZ-CG 3.46Å; S306-K308 PolarHBondContact O-N 2.6Å; S306-K308 VanDerWaalsContact O-N 3.07Å; K308-L312 VanDerWaalsContact O-CB 3.32Å; K308-L312 WeakPolarHBondContact O-CB 3.49Å; K308-L312 PolarHBondContact O-N 3.44Å
309R94.3Very high93.5Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-70.2-40.9177.8-69.1-177.969.389.6-2.8111.9I239 F240 E242 H245 I247 S306 L312 C313 D343 L347I239-R309 PolarHBondContact O-NE 3.13Å; I239-R309 PolarHBondContact O-NH2 3.47Å; F240-R309 HydrophobicContact CD1-CB 4.41Å; F240-R309 WeakPolarHBondContact O-CB 2.81Å; F240-R309 WeakPolarHBondContact O-CD 3.17Å; E242-R309 HydrophobicContact CB-CG 4.49Å; H245-R309 VanDerWaalsContact O-CD 3.24Å; H245-R309 WeakPolarHBondContact O-CD 3.32Å; H245-R309 PolarHBondContact O-NH1 3.49Å; I247-R309 HydrophobicContact CD1-CB 4.41Å; I247-R309 HydrophobicContact CD1-CG 3.57Å; I247-R309 HydrophobicContact CG1-CG 3.84Å; S306-R309 PolarHBondContact O-N 3.2Å; R309-L312 PolarHBondContact O-N 3.17Å; R309-C313 WeakPolarHBondContact O-CB 3.36Å; R309-C313 PolarHBondContact O-N 2.76Å; R309-D343 IonicContact CZ-OD1 3.38Å; R309-D343 IonicContact CZ-OD2 2.85Å; R309-D343 IonicContact NH1-OD1 3.94Å; R309-D343 IonicContact NH1-OD2 3.48Å; R309-D343 PolarHBondContact NH1-OD2 3.4Å; R309-D343 VanDerWaalsContact NH2-CG 3.25Å; R309-D343 IonicContact NH2-OD1 3.08Å; R309-D343 PolarHBondContact NH2-OD1 2.94Å; R309-D343 IonicContact NH2-OD2 2.66Å; R309-D343 PolarHBondContact NH2-OD2 3.38Å; R309-D343 VanDerWaalsContact NH2-OD2 3.07Å; R309-L347 HydrophobicContact CB-CD2 4.39Å
310I95.4Very high93.8Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-61-47.8175.3-65.5174.1000110.6F240 L291 L294 L302 S306 C313 A314 F351F240-I310 HydrophobicContact CB-CD1 4.17Å; F240-I310 HydrophobicContact CB-CG1 3.68Å; F240-I310 HydrophobicContact CD1-CB 4.45Å; F240-I310 HydrophobicContact CD1-CG1 3.6Å; F240-I310 HydrophobicContact CD2-CG1 4.12Å; F240-I310 HydrophobicContact CE1-CG1 4.27Å; F240-I310 HydrophobicContact CG-CD1 4.23Å; F240-I310 HydrophobicContact CG-CG1 3.52Å; L291-I310 HydrophobicContact CD2-CG2 3.54Å; L294-I310 HydrophobicContact CD2-CD1 4.26Å; L294-I310 HydrophobicContact CD2-CG2 3.97Å; L302-I310 HydrophobicContact CD2-CB 4.05Å; L302-I310 HydrophobicContact CD2-CD1 3.86Å; L302-I310 HydrophobicContact CD2-CG2 3.75Å; S306-I310 WeakPolarHBondContact O-CG1 3.35Å; S306-I310 PolarHBondContact O-N 3.28Å; S306-I310 VanDerWaalsContact O-N 3.09Å; S306-I310 WeakPolarHBondContact OG-CD1 3.33Å; I310-C313 PolarHBondContact O-N 2.96Å; I310-A314 WeakPolarHBondContact O-CB 3.47Å; I310-A314 PolarHBondContact O-N 3.26Å; I310-F351 HydrophobicContact CG2-CE2 4.48Å
311V97Very high94Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-65.5-40.9179.1170.50000111.6I220 F269 I270 L291 W307 A314 I315I220-V311 HydrophobicContact CD1-CG1 4.02Å; I220-V311 HydrophobicContact CD1-CG2 3.79Å; I220-V311 HydrophobicContact CG1-CG2 4.29Å; I220-V311 HydrophobicContact CG2-CG2 3.95Å; F269-V311 HydrophobicContact CD1-CG1 4.45Å; F269-V311 HydrophobicContact CE1-CG1 4.23Å; I270-V311 HydrophobicContact CD1-CG1 4.37Å; I270-V311 HydrophobicContact CG1-CG1 3.98Å; L291-V311 HydrophobicContact CD1-CG2 4.28Å; L291-V311 HydrophobicContact CD2-CG2 4.15Å; W307-V311 HydrophobicContact CE3-CG2 4.43Å; W307-V311 WeakPolarHBondContact O-CB 3.11Å; W307-V311 WeakPolarHBondContact O-CG2 3.49Å; W307-V311 PolarHBondContact O-N 3.35Å; V311-A314 PolarHBondContact O-N 3.33Å; V311-I315 HydrophobicContact CG1-CD1 3.81Å; V311-I315 HydrophobicContact CG1-CG1 4.48Å; V311-I315 VanDerWaalsContact O-CG1 3.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.45Å; V311-I315 PolarHBondContact O-N 3.3Å
312L96.5Very high94.2Very high1 Ų114.2 Ų14.21%0.0057%0.07CC..Hα-helixtrans-56.2-53.3173.7176.458.7000110.9I247 F269 L273 K308 R309 A314 I315 V316 Y332 L336 M339I247-L312 HydrophobicContact CD1-CD2 4.02Å; I247-L312 HydrophobicContact CG1-CD2 4.3Å; F269-L312 HydrophobicContact CE1-CB 4.49Å; F269-L312 HydrophobicContact CZ-CB 4.12Å; L273-L312 HydrophobicContact CD1-CD1 3.91Å; L273-L312 HydrophobicContact CD2-CD1 3.96Å; K308-L312 VanDerWaalsContact O-CB 3.32Å; K308-L312 WeakPolarHBondContact O-CB 3.49Å; K308-L312 PolarHBondContact O-N 3.44Å; R309-L312 PolarHBondContact O-N 3.17Å; L312-A314 PolarHBondContact O-N 3.23Å; L312-I315 PolarHBondContact O-N 2.59Å; L312-I315 VanDerWaalsContact O-N 3.16Å; L312-V316 HydrophobicContact CD1-CG2 4.05Å; L312-V316 HydrophobicContact CG-CG2 4.37Å; L312-V316 VanDerWaalsContact O-CG2 3.28Å; L312-V316 WeakPolarHBondContact O-CG2 3.28Å; L312-V316 PolarHBondContact O-N 2.72Å; L312-Y332 HydrophobicContact CD1-CD1 4.38Å; L312-L336 HydrophobicContact CD1-CD1 3.62Å; L312-L336 HydrophobicContact CD2-CD1 3.65Å; L312-L336 HydrophobicContact CG-CD1 4.29Å; L312-M339 HydrophobicContact CD2-CE 3.91Å; L312-M339 HydrophobicContact CD2-SD 3.56Å; L312-M339 VanDerWaalsContact CD2-SD 3.56Å
313C96.2Very high94.1Very high2 Ų215.6 Ų15.61%0.0148%0.077CC..Hα-helixtrans-62.7-41.9-177.2-1690000112.1F240 R309 I310 I315 V316 L317 L347 F351F240-C313 HydrophobicContact CE1-CB 4.45Å; R309-C313 WeakPolarHBondContact O-CB 3.36Å; R309-C313 PolarHBondContact O-N 2.76Å; I310-C313 PolarHBondContact O-N 2.96Å; C313-I315 VanDerWaalsContact C-N 3.31Å; C313-I315 PolarHBondContact O-N 3.38Å; C313-V316 PolarHBondContact O-N 3.34Å; C313-L317 WeakPolarHBondContact O-CB 3.19Å; C313-L317 WeakPolarHBondContact O-CG 2.92Å; C313-L317 PolarHBondContact O-N 2.84Å; C313-L347 HydrophobicContact CB-CB 4.46Å; C313-L347 VanDerWaalsContact SG-C 3.51Å; C313-L347 PolarHBondContact SG-O 2.95Å; C313-F351 HydrophobicContact CB-CD2 3.67Å; C313-F351 HydrophobicContact CB-CE2 4.28Å; C313-F351 HydrophobicContact CB-CG 4.47Å; C313-F351 WeakPolarHBondContact SG-CB 3.41Å; C313-F351 WeakPolarHBondContact SG-CD2 3.33Å
314A97.4Very high94Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-60.1-39.4175.100000112.6T287 L291 I310 V311 L312 A318 F351T287-A314 HydrophobicContact CG2-CB 3.96Å; L291-A314 HydrophobicContact CD2-CB 3.73Å; L291-A314 HydrophobicContact CG-CB 3.73Å; I310-A314 WeakPolarHBondContact O-CB 3.47Å; I310-A314 PolarHBondContact O-N 3.26Å; V311-A314 PolarHBondContact O-N 3.33Å; L312-A314 PolarHBondContact O-N 3.23Å; A314-A318 WeakPolarHBondContact O-CB 3.35Å; A314-A318 PolarHBondContact O-N 3.27Å; A314-F351 HydrophobicContact CB-CE2 3.84Å; A314-F351 HydrophobicContact CB-CZ 3.89Å
315I97.5Very high93.8Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-67.5-45.9175.9-69.8168.1000110.9I270 L273 F274 L279 T287 V311 L312 C313 L317 A318 S319I270-I315 HydrophobicContact CG2-CD1 4.34Å; L273-I315 HydrophobicContact CD1-CD1 3.64Å; F274-I315 HydrophobicContact CE2-CD1 3.99Å; F274-I315 HydrophobicContact CE2-CG1 4.08Å; F274-I315 HydrophobicContact CE2-CG2 4.3Å; L279-I315 HydrophobicContact CD1-CG2 3.5Å; T287-I315 HydrophobicContact CG2-CG1 3.62Å; V311-I315 HydrophobicContact CG1-CD1 3.81Å; V311-I315 HydrophobicContact CG1-CG1 4.48Å; V311-I315 VanDerWaalsContact O-CG1 3.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.45Å; V311-I315 PolarHBondContact O-N 3.3Å; L312-I315 PolarHBondContact O-N 2.59Å; L312-I315 VanDerWaalsContact O-N 3.16Å; C313-I315 VanDerWaalsContact C-N 3.31Å; C313-I315 PolarHBondContact O-N 3.38Å; I315-L317 PolarHBondContact O-N 2.68Å; I315-A318 PolarHBondContact O-N 3.07Å; I315-S319 WeakPolarHBondContact O-CB 3.48Å; I315-S319 PolarHBondContact O-N 2.86Å; I315-S319 PolarHBondContact O-OG 2.61Å
316V96.1Very high93.5Very high1 Ų130 Ų301%0.00616%0.155CC..Hα-helixtrans-58.3-50.4178.8175.10000109.8L312 C313 A318 S319 K320 Y332 V344 E348L312-V316 HydrophobicContact CD1-CG2 4.05Å; L312-V316 HydrophobicContact CG-CG2 4.37Å; L312-V316 VanDerWaalsContact O-CG2 3.28Å; L312-V316 WeakPolarHBondContact O-CG2 3.28Å; L312-V316 PolarHBondContact O-N 2.72Å; C313-V316 PolarHBondContact O-N 3.34Å; V316-A318 PolarHBondContact O-N 3.36Å; V316-S319 PolarHBondContact O-N 2.72Å; V316-S319 PolarHBondContact O-OG 3.38Å; V316-K320 HydrophobicContact CG1-CD 4.48Å; V316-K320 WeakPolarHBondContact O-CG 3.25Å; V316-K320 PolarHBondContact O-N 2.91Å; V316-K320 VanDerWaalsContact O-N 3.13Å; V316-Y332 HydrophobicContact CB-CE2 4.19Å; V316-Y332 HydrophobicContact CG1-CD2 4.22Å; V316-Y332 HydrophobicContact CG1-CE2 3.98Å; V316-Y332 HydrophobicContact CG2-CD1 3.93Å; V316-Y332 HydrophobicContact CG2-CD2 3.8Å; V316-Y332 HydrophobicContact CG2-CE1 3.88Å; V316-Y332 HydrophobicContact CG2-CE2 3.75Å; V316-Y332 HydrophobicContact CG2-CG 3.88Å; V316-V344 HydrophobicContact CG1-CG1 4.48Å; V316-E348 HydrophobicContact CG1-CG 3.94Å; V316-E348 WeakPolarHBondContact CG1-OE1 3.29Å
317L96.4Very high93.4Very high6 Ų630.7 Ų30.73%0.03116%0.159CC..Hα-helixtrans-62.4-44.2177.3-71.6177.9000112.7Y290 C313 I315 S319 K320 V321 E348 F351 L352Y290-L317 HydrophobicContact CD2-CB 4.12Å; Y290-L317 HydrophobicContact CE2-CB 4.22Å; C313-L317 WeakPolarHBondContact O-CB 3.19Å; C313-L317 WeakPolarHBondContact O-CG 2.92Å; C313-L317 PolarHBondContact O-N 2.84Å; I315-L317 PolarHBondContact O-N 2.68Å; L317-S319 VanDerWaalsContact C-N 3.32Å; L317-S319 PolarHBondContact O-N 2.79Å; L317-K320 PolarHBondContact O-N 3.22Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.15Å; L317-V321 VanDerWaalsContact O-N 3.13Å; L317-E348 HydrophobicContact CD2-CB 4.15Å; L317-E348 HydrophobicContact CD2-CG 3.88Å; L317-E348 HydrophobicContact CG-CG 4.26Å; L317-F351 HydrophobicContact CD1-CB 3.78Å; L317-F351 HydrophobicContact CD1-CD1 3.17Å; L317-F351 HydrophobicContact CD1-CD2 4.28Å; L317-F351 HydrophobicContact CD1-CE1 3.78Å; L317-F351 HydrophobicContact CD1-CG 3.48Å; L317-F351 VanDerWaalsContact CD1-CG 3.48Å; L317-L352 HydrophobicContact CD1-CD2 4.27Å; L317-L352 HydrophobicContact CD1-CG 4.24Å; L317-L352 HydrophobicContact CD2-CD1 4.04Å; L317-L352 HydrophobicContact CD2-CD2 4.03Å; L317-L352 HydrophobicContact CD2-CG 3.87Å
318A96.8Very high93.4Very high0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-60.8-41.6177.300000111.7C283 V286 T287 Y290 A314 I315 V316 K320 V321 W322C283-A318 VanDerWaalsContact SG-C 3.56Å; V286-A318 HydrophobicContact CB-CB 4.15Å; V286-A318 HydrophobicContact CG1-CB 3.87Å; T287-A318 WeakPolarHBondContact OG1-CB 3.39Å; Y290-A318 HydrophobicContact CD2-CB 4.09Å; Y290-A318 HydrophobicContact CE2-CB 4.15Å; A314-A318 WeakPolarHBondContact O-CB 3.35Å; A314-A318 PolarHBondContact O-N 3.27Å; I315-A318 PolarHBondContact O-N 3.07Å; V316-A318 PolarHBondContact O-N 3.36Å; A318-K320 VanDerWaalsContact C-N 3.32Å; A318-K320 PolarHBondContact O-N 3.02Å; A318-V321 PolarHBondContact O-N 3.37Å; A318-W322 VanDerWaalsContact O-CB 3.27Å; A318-W322 WeakPolarHBondContact O-CB 3.41Å; A318-W322 PolarHBondContact O-N 2.96Å
319S95.8Very high93.4Very high0 Ų039.5 Ų39.50%019%0.193CC..Hα-helixtrans-65-35.1178.672.30000112.8C283 I315 V316 L317 D323 Y332C283-S319 PolarHBondContact SG-N 3.32Å; C283-S319 VanDerWaalsContact SG-N 3.39Å; I315-S319 WeakPolarHBondContact O-CB 3.48Å; I315-S319 PolarHBondContact O-N 2.86Å; I315-S319 PolarHBondContact O-OG 2.61Å; V316-S319 PolarHBondContact O-N 2.72Å; V316-S319 PolarHBondContact O-OG 3.38Å; L317-S319 VanDerWaalsContact C-N 3.32Å; L317-S319 PolarHBondContact O-N 2.79Å; S319-D323 WeakPolarHBondContact O-CB 3.37Å; S319-D323 PolarHBondContact O-N 2.69Å; S319-Y332 WeakPolarHBondContact CB-OH 3.5Å; S319-Y332 PolarHBondContact OG-OH 3.05Å
320K94.1Very high93.4Very high65 Ų6543 Ų4328%0.28321%0.214SC..Hα-helixtrans-73.8-34178.9-72.5-177.8178.5-173.30113.4V316 L317 A318 N329 E348V316-K320 HydrophobicContact CG1-CD 4.48Å; V316-K320 WeakPolarHBondContact O-CG 3.25Å; V316-K320 PolarHBondContact O-N 2.91Å; V316-K320 VanDerWaalsContact O-N 3.13Å; L317-K320 PolarHBondContact O-N 3.22Å; A318-K320 VanDerWaalsContact C-N 3.32Å; A318-K320 PolarHBondContact O-N 3.02Å; K320-N329 WeakPolarHBondContact CE-OD1 3.34Å; K320-N329 VanDerWaalsContact NZ-CG 3.32Å; K320-N329 PolarHBondContact NZ-ND2 3.08Å; K320-N329 PolarHBondContact NZ-OD1 2.9Å; K320-E348 WeakPolarHBondContact CD-OE2 3.44Å; K320-E348 WeakPolarHBondContact CE-OE1 3.35Å; K320-E348 WeakPolarHBondContact CE-OE2 3.33Å; K320-E348 IonicContact NZ-OE1 2.75Å; K320-E348 PolarHBondContact NZ-OE1 3.42Å; K320-E348 IonicContact NZ-OE2 2.7Å; K320-E348 PolarHBondContact NZ-OE2 3.39Å
321V93.3Very high93.4Very high60 Ų6045.5 Ų45.536%0.36423%0.228SC..Hα-helixtrans-87.5-36.6-176.3178.20000111.8Y290 L317 A318 I359Y290-V321 WeakPolarHBondContact OH-CG1 3.39Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.15Å; L317-V321 VanDerWaalsContact O-N 3.13Å; A318-V321 PolarHBondContact O-N 3.37Å; V321-I359 HydrophobicContact CG1-CD1 4.45Å; V321-I359 HydrophobicContact CG2-CB 4.39Å; V321-I359 HydrophobicContact CG2-CD1 4.14Å
322W92Very high93.2Very high95 Ų9545.5 Ų45.536%0.3623%0.228SC..Hα-helixtrans-108-27.6-167.9-161.1-93.1000114.7V286 A318 Y366V286-W322 HydrophobicContact CG2-CB 4.18Å; V286-W322 HydrophobicContact CG2-CD2 3.61Å; V286-W322 HydrophobicContact CG2-CE3 3.82Å; V286-W322 HydrophobicContact CG2-CG 3.76Å; V286-W322 HydrophobicContact CG2-CZ3 4.45Å; A318-W322 VanDerWaalsContact O-CB 3.27Å; A318-W322 WeakPolarHBondContact O-CB 3.41Å; A318-W322 PolarHBondContact O-N 2.96Å; W322-Y366 HydrophobicContact CH2-CD2 4.47Å; W322-Y366 HydrophobicContact CZ2-CD2 4.24Å; W322-Y366 HydrophobicContact CZ2-CE2 4.15Å
323D90.2Very high93.1Very high29 Ų2946.1 Ų46.116%0.15523%0.232CC..  trans-86.7129-179.5-147.8-76.2000110.1S280 S319 Q325S280-D323 WeakPolarHBondContact CB-OD2 3.46Å; S280-D323 PolarHBondContact N-OD2 3.07Å; S280-D323 PolarHBondContact OG-OD2 2.96Å; S319-D323 WeakPolarHBondContact O-CB 3.37Å; S319-D323 PolarHBondContact O-N 2.69Å; D323-Q325 PolarHBondContact O-N 3.07Å; D323-Q325 PolarHBondContact OD1-N 3.19Å; D323-Q325 VanDerWaalsContact OD1-N 3.14Å
324D87.2Confident92.8Very high133 Ų13352.4 Ų52.471%0.71126%0.261SS*.SBendtrans-67.6-23.3177.8-71.5-34.6000111.4
325Q86.4Confident92.6Very high154 Ų15453.6 Ų53.672%0.7227%0.267SS*.SBendtrans-100.284174.2-63.2-62.8-43.200109.3D323 V327D323-Q325 PolarHBondContact O-N 3.07Å; D323-Q325 PolarHBondContact OD1-N 3.19Å; D323-Q325 VanDerWaalsContact OD1-N 3.14Å; Q325-V327 PolarHBondContact O-N 2.82Å
326A82Confident92.2Very high60 Ų6054.1 Ų54.150%0.49627%0.27SS..PPolyproline II helixtrans-60.5126.2-17700000111.9
327V90.4Very high91.5Very high17 Ų1762.7 Ų62.710%0.10331%0.307CS..PPolyproline II helixtrans-89.7130.8174-177.80000108.8A277 L279 Q325 D331 Y332A277-V327 HydrophobicContact CB-CG1 4.25Å; A277-V327 HydrophobicContact CB-CG2 4.23Å; L279-V327 HydrophobicContact CD2-CG2 4.02Å; Q325-V327 PolarHBondContact O-N 2.82Å; V327-D331 HydrophobicContact CG1-CB 3.63Å; V327-Y332 HydrophobicContact CB-CE2 3.92Å; V327-Y332 HydrophobicContact CG1-CD2 3.95Å; V327-Y332 HydrophobicContact CG1-CE2 3.54Å
328W92.5Very high90.7Very high192 Ų19265.5 Ų65.573%0.72732%0.322SS*.PPolyproline II helixtrans-85.8157.4-176-60.357000109.7V330 D331 Y332W328-V330 PolarHBondContact O-N 3.13Å; W328-D331 WeakPolarHBondContact CB-OD2 3.2Å; W328-D331 PolarHBondContact N-OD2 3.46Å; W328-D331 VanDerWaalsContact O-CB 3.3Å; W328-D331 WeakPolarHBondContact O-CB 3.24Å; W328-D331 PolarHBondContact O-N 2.98Å; W328-Y332 PolarHBondContact O-N 3.28Å
329N94.4Very high90.3Very high14 Ų1465.9 Ų65.98%0.07532%0.324CS..Hα-helixtrans-62.5-33.2-178.4-70.90.2000112.8K320 D331 Y332 C333 V341 V344 N345 E348K320-N329 WeakPolarHBondContact CE-OD1 3.34Å; K320-N329 VanDerWaalsContact NZ-CG 3.32Å; K320-N329 PolarHBondContact NZ-ND2 3.08Å; K320-N329 PolarHBondContact NZ-OD1 2.9Å; N329-D331 PolarHBondContact O-N 3.36Å; N329-Y332 PolarHBondContact O-N 2.98Å; N329-Y332 VanDerWaalsContact O-N 3.17Å; N329-C333 PolarHBondContact O-N 3.23Å; N329-C333 VanDerWaalsContact O-N 3.13Å; N329-C333 PolarHBondContact O-SG 3.31Å; N329-C333 VanDerWaalsContact O-SG 3.33Å; N329-V341 HydrophobicContact CB-CG1 4.23Å; N329-V344 HydrophobicContact CB-CB 4.26Å; N329-V344 HydrophobicContact CB-CG1 3.94Å; N329-N345 PolarHBondContact ND2-OD1 3.07Å; N329-E348 PolarHBondContact ND2-OE1 3.3Å; N329-E348 PolarHBondContact OD1-OE1 2.92Å
330V94Very high90.1Very high74 Ų7472.2 Ų72.245%0.44835%0.353SS..Hα-helixtrans-59.8-34.9174.1-175.60000111.4W328 C333 Q334 V341W328-V330 PolarHBondContact O-N 3.13Å; V330-C333 WeakPolarHBondContact O-CB 3.45Å; V330-C333 PolarHBondContact O-N 3.01Å; V330-Q334 WeakPolarHBondContact O-CG 3.28Å; V330-Q334 PolarHBondContact O-N 3.05Å; V330-V341 HydrophobicContact CG2-CG1 4.17Å; V330-V341 HydrophobicContact CG2-CG2 3.98Å
331D94.4Very high90Very high53 Ų5371.4 Ų71.428%0.28335%0.354SS..Hα-helixtrans-67.7-40.1178.2-55.2-41.1000110.6V327 W328 N329 C333 Q334 I335V327-D331 HydrophobicContact CG1-CB 3.63Å; W328-D331 WeakPolarHBondContact CB-OD2 3.2Å; W328-D331 PolarHBondContact N-OD2 3.46Å; W328-D331 VanDerWaalsContact O-CB 3.3Å; W328-D331 WeakPolarHBondContact O-CB 3.24Å; W328-D331 PolarHBondContact O-N 2.98Å; N329-D331 PolarHBondContact O-N 3.36Å; D331-C333 VanDerWaalsContact C-N 3.3Å; D331-C333 PolarHBondContact O-N 3.03Å; D331-Q334 WeakPolarHBondContact O-CB 3.42Å; D331-Q334 PolarHBondContact O-N 3.4Å; D331-Q334 VanDerWaalsContact O-N 3.08Å; D331-I335 VanDerWaalsContact O-CG1 3.29Å; D331-I335 WeakPolarHBondContact O-CG1 3.49Å; D331-I335 PolarHBondContact O-N 3Å
332Y94.1Very high90Very high0 Ų074.6 Ų74.60%037%0.369CS..Hα-helixtrans-62.8-36.5173.8-74-76.1000112.6L273 A277 L312 V316 S319 V327 W328 N329 Q334 I335 L336L273-Y332 HydrophobicContact CD2-CD1 4.2Å; L273-Y332 HydrophobicContact CD2-CE1 4.44Å; A277-Y332 HydrophobicContact CB-CE1 4.32Å; L312-Y332 HydrophobicContact CD1-CD1 4.38Å; V316-Y332 HydrophobicContact CB-CE2 4.19Å; V316-Y332 HydrophobicContact CG1-CD2 4.22Å; V316-Y332 HydrophobicContact CG1-CE2 3.98Å; V316-Y332 HydrophobicContact CG2-CD1 3.93Å; V316-Y332 HydrophobicContact CG2-CD2 3.8Å; V316-Y332 HydrophobicContact CG2-CE1 3.88Å; V316-Y332 HydrophobicContact CG2-CE2 3.75Å; V316-Y332 HydrophobicContact CG2-CG 3.88Å; S319-Y332 WeakPolarHBondContact CB-OH 3.5Å; S319-Y332 PolarHBondContact OG-OH 3.05Å; V327-Y332 HydrophobicContact CB-CE2 3.92Å; V327-Y332 HydrophobicContact CG1-CD2 3.95Å; V327-Y332 HydrophobicContact CG1-CE2 3.54Å; W328-Y332 PolarHBondContact O-N 3.28Å; N329-Y332 PolarHBondContact O-N 2.98Å; N329-Y332 VanDerWaalsContact O-N 3.17Å; Y332-Q334 VanDerWaalsContact C-N 3.32Å; Y332-Q334 PolarHBondContact O-N 3.19Å; Y332-I335 HydrophobicContact CD1-CD1 4.49Å; Y332-I335 PolarHBondContact O-N 3.48Å; Y332-L336 WeakPolarHBondContact O-CB 3.38Å; Y332-L336 PolarHBondContact O-N 3.4Å
333C92.9Very high90.1Very high14 Ų1471.7 Ų71.710%0.09536%0.36CS..Hα-helixtrans-64.3-34.1172.1-61.30000112.5N329 V330 D331 L336 K337 M339 V341N329-C333 PolarHBondContact O-N 3.23Å; N329-C333 VanDerWaalsContact O-N 3.13Å; N329-C333 PolarHBondContact O-SG 3.31Å; N329-C333 VanDerWaalsContact O-SG 3.33Å; V330-C333 WeakPolarHBondContact O-CB 3.45Å; V330-C333 PolarHBondContact O-N 3.01Å; D331-C333 VanDerWaalsContact C-N 3.3Å; D331-C333 PolarHBondContact O-N 3.03Å; C333-L336 CarbonylContact O-C 3.55Å; C333-L336 VanDerWaalsContact O-O 3.08Å; C333-K337 CarbonylContact O-C 3.15Å; C333-K337 WeakPolarHBondContact O-CA 3.48Å; C333-K337 PolarHBondContact O-N 2.91Å; C333-K337 VanDerWaalsContact O-N 3.12Å; C333-M339 VanDerWaalsContact CB-O 3.27Å; C333-M339 WeakPolarHBondContact CB-O 3.33Å; C333-M339 PolarHBondContact SG-O 3.14Å; C333-V341 HydrophobicContact CB-CG2 4.34Å
334Q91.9Very high90.3Very high133 Ų13370.4 Ų70.462%0.62135%0.354SS*.Hα-helixtrans-70.4-39.1174.3-66.8173.69.700112.1V330 D331 Y332V330-Q334 WeakPolarHBondContact O-CG 3.28Å; V330-Q334 PolarHBondContact O-N 3.05Å; D331-Q334 WeakPolarHBondContact O-CB 3.42Å; D331-Q334 PolarHBondContact O-N 3.4Å; D331-Q334 VanDerWaalsContact O-N 3.08Å; Y332-Q334 VanDerWaalsContact C-N 3.32Å; Y332-Q334 PolarHBondContact O-N 3.19Å
335I92.2Very high90.7Very high26 Ų2666.7 Ų66.713%0.13333%0.334CS..Hα-helixtrans-66.3-44.3176.6-63169.4000110.3L273 M276 A277 D331 Y332L273-I335 HydrophobicContact CD2-CG2 4.16Å; M276-I335 HydrophobicContact CB-CB 4.36Å; M276-I335 HydrophobicContact CB-CD1 3.77Å; M276-I335 HydrophobicContact CB-CG1 3.7Å; M276-I335 HydrophobicContact CB-CG2 3.78Å; M276-I335 HydrophobicContact CG-CG2 4.11Å; A277-I335 HydrophobicContact CB-CD1 3.73Å; D331-I335 VanDerWaalsContact O-CG1 3.29Å; D331-I335 WeakPolarHBondContact O-CG1 3.49Å; D331-I335 PolarHBondContact O-N 3Å; Y332-I335 HydrophobicContact CD1-CD1 4.49Å; Y332-I335 PolarHBondContact O-N 3.48Å
336L90.2Very high91.1Very high10 Ų1062.2 Ų62.25%0.05231%0.313CS..THydrogen-bonded Turntrans-10562.2177.9-59.8171.7000108.9I247 F269 L273 L312 Y332 C333 D338 M339I247-L336 HydrophobicContact CG2-CB 4.2Å; I247-L336 HydrophobicContact CG2-CD1 3.79Å; I247-L336 HydrophobicContact CG2-CD2 4.08Å; I247-L336 HydrophobicContact CG2-CG 4.25Å; F269-L336 HydrophobicContact CE2-CD2 4.16Å; L273-L336 HydrophobicContact CD2-CD1 4.06Å; L273-L336 HydrophobicContact CD2-CD2 4.35Å; L273-L336 HydrophobicContact CD2-CG 4.2Å; L312-L336 HydrophobicContact CD1-CD1 3.62Å; L312-L336 HydrophobicContact CD2-CD1 3.65Å; L312-L336 HydrophobicContact CG-CD1 4.29Å; Y332-L336 WeakPolarHBondContact O-CB 3.38Å; Y332-L336 PolarHBondContact O-N 3.4Å; C333-L336 CarbonylContact O-C 3.55Å; C333-L336 VanDerWaalsContact O-O 3.08Å; L336-D338 PolarHBondContact O-N 3.23Å; L336-M339 HydrophobicContact CB-CB 4.41Å; L336-M339 HydrophobicContact CB-CE 4.25Å; L336-M339 HydrophobicContact CD1-CE 3.73Å; L336-M339 HydrophobicContact CD1-SD 4.31Å; L336-M339 PolarHBondContact O-N 3.33Å
337K79.5Confident91.7Very high182 Ų18259.5 Ų59.579%0.79129%0.29SS*.THydrogen-bonded Turntrans-20.6-22.7-170.4-62.9-177.7177.9-177.50120.8C333C333-K337 CarbonylContact O-C 3.15Å; C333-K337 WeakPolarHBondContact O-CA 3.48Å; C333-K337 PolarHBondContact O-N 2.91Å; C333-K337 VanDerWaalsContact O-N 3.12Å
338D80.5Confident91.9Very high65 Ų6559.5 Ų59.535%0.34829%0.289SS..THydrogen-bonded Turntrans-118.4-8.4-169.2-56.8-43.5000113.7N249 L336N249-D338 HydrophobicContact CB-CB 4.25Å; N249-D338 WeakPolarHBondContact CB-OD2 3.41Å; N249-D338 PolarHBondContact N-OD2 2.92Å; N249-D338 WeakPolarHBondContact ND2-CB 3.32Å; N249-D338 PolarHBondContact ND2-OD1 2.84Å; N249-D338 PolarHBondContact ND2-OD2 3.4Å; L336-D338 PolarHBondContact O-N 3.23Å
339M88.8Confident92Very high8 Ų855.1 Ų55.14%0.03927%0.272CS..  trans-77.3132.9-176.5-169.6172.257.200111.1L312 C333 L336 V344L312-M339 HydrophobicContact CD2-CE 3.91Å; L312-M339 HydrophobicContact CD2-SD 3.56Å; L312-M339 VanDerWaalsContact CD2-SD 3.56Å; C333-M339 VanDerWaalsContact CB-O 3.27Å; C333-M339 WeakPolarHBondContact CB-O 3.33Å; C333-M339 PolarHBondContact SG-O 3.14Å; L336-M339 HydrophobicContact CB-CB 4.41Å; L336-M339 HydrophobicContact CB-CE 4.25Å; L336-M339 HydrophobicContact CD1-CE 3.73Å; L336-M339 HydrophobicContact CD1-SD 4.31Å; L336-M339 PolarHBondContact O-N 3.33Å; M339-V344 HydrophobicContact CE-CG2 3.15Å; M339-V344 HydrophobicContact CG-CG2 3.87Å; M339-V344 HydrophobicContact SD-CG2 3.6Å
340Q90.4Very high92Very high132 Ų13258.8 Ų58.862%0.61729%0.285SS*.  trans-77.4141.8177.4-60.8-57.5-56.700110.9D342 D343 V344Q340-D342 PolarHBondContact O-N 3.22Å; Q340-D343 HydrophobicContact CB-CB 4.37Å; Q340-D343 WeakPolarHBondContact O-CB 3.08Å; Q340-D343 PolarHBondContact O-N 3.35Å; Q340-D343 VanDerWaalsContact O-N 3.13Å; Q340-V344 PolarHBondContact O-N 3.16Å
341V93.4Very high92Very high48 Ų4855.3 Ų55.329%0.29126%0.264SS..Hα-helixtrans-61.9-36.2-179.4-177.60000111.1N329 V330 C333 D343 V344 N345N329-V341 HydrophobicContact CB-CG1 4.23Å; V330-V341 HydrophobicContact CG2-CG1 4.17Å; V330-V341 HydrophobicContact CG2-CG2 3.98Å; C333-V341 HydrophobicContact CB-CG2 4.34Å; V341-D343 VanDerWaalsContact C-N 3.3Å; V341-D343 PolarHBondContact O-N 3.49Å; V341-V344 PolarHBondContact O-N 3.4Å; V341-N345 PolarHBondContact O-N 3.48Å; V341-N345 PolarHBondContact O-ND2 2.92Å
342D93.7Very high92.1Very high127 Ų12754.4 Ų54.468%0.67926%0.259SS*.Hα-helixtrans-63-36177.5-65.4-30.5000112.5Q340 N345 E346Q340-D342 PolarHBondContact O-N 3.22Å; D342-N345 PolarHBondContact O-N 3.26Å; D342-E346 WeakPolarHBondContact O-CB 3.39Å; D342-E346 PolarHBondContact O-N 3.49Å
343D93.7Very high92.1Very high34 Ų3457.9 Ų57.918%0.18228%0.275CS..Hα-helixtrans-66.5-41.9176.3-172.939.4000111.3R309 Q340 V341 E346 L347R309-D343 IonicContact CZ-OD1 3.38Å; R309-D343 IonicContact CZ-OD2 2.85Å; R309-D343 IonicContact NH1-OD1 3.94Å; R309-D343 IonicContact NH1-OD2 3.48Å; R309-D343 PolarHBondContact NH1-OD2 3.4Å; R309-D343 VanDerWaalsContact NH2-CG 3.25Å; R309-D343 IonicContact NH2-OD1 3.08Å; R309-D343 PolarHBondContact NH2-OD1 2.94Å; R309-D343 IonicContact NH2-OD2 2.66Å; R309-D343 PolarHBondContact NH2-OD2 3.38Å; R309-D343 VanDerWaalsContact NH2-OD2 3.07Å; Q340-D343 HydrophobicContact CB-CB 4.37Å; Q340-D343 WeakPolarHBondContact O-CB 3.08Å; Q340-D343 PolarHBondContact O-N 3.35Å; Q340-D343 VanDerWaalsContact O-N 3.13Å; V341-D343 VanDerWaalsContact C-N 3.3Å; V341-D343 PolarHBondContact O-N 3.49Å; D343-E346 PolarHBondContact O-N 3.32Å; D343-L347 WeakPolarHBondContact O-CB 3.3Å; D343-L347 WeakPolarHBondContact O-CG 2.82Å; D343-L347 PolarHBondContact O-N 3.46Å
344V94.5Very high92.1Very high3 Ų358 Ų582%0.01828%0.275CS..Hα-helixtrans-64.2-42.7174.5-171.30000111.5V316 N329 M339 Q340 V341 E346 L347 E348V316-V344 HydrophobicContact CG1-CG1 4.48Å; N329-V344 HydrophobicContact CB-CB 4.26Å; N329-V344 HydrophobicContact CB-CG1 3.94Å; M339-V344 HydrophobicContact CE-CG2 3.15Å; M339-V344 HydrophobicContact CG-CG2 3.87Å; M339-V344 HydrophobicContact SD-CG2 3.6Å; Q340-V344 PolarHBondContact O-N 3.16Å; V341-V344 PolarHBondContact O-N 3.4Å; V344-E346 VanDerWaalsContact C-N 3.34Å; V344-E346 PolarHBondContact O-N 3.38Å; V344-L347 WeakPolarHBondContact O-CB 3.41Å; V344-L347 PolarHBondContact O-N 2.93Å; V344-E348 PolarHBondContact O-N 2.81Å
345N95.2Very high92.1Very high55 Ų5551.7 Ų51.729%0.29425%0.245SC..Hα-helixtrans-61.8-42.9178.2-70.6-27.2000111.5N329 V341 D342 R349N329-N345 PolarHBondContact ND2-OD1 3.07Å; V341-N345 PolarHBondContact O-N 3.48Å; V341-N345 PolarHBondContact O-ND2 2.92Å; D342-N345 PolarHBondContact O-N 3.26Å; N345-R349 WeakPolarHBondContact O-CB 3.3Å; N345-R349 PolarHBondContact O-N 3.43Å; N345-R349 VanDerWaalsContact O-N 3.1Å; N345-R349 PolarHBondContact O-NH1 2.85Å
346E94.2Very high92.2Very high59 Ų5958.3 Ų58.328%0.27628%0.276SS..Hα-helixtrans-68.7-41.8176.1-173.665.9-167.500111.7I239 D342 D343 V344 E348 R349 R350I239-E346 HydrophobicContact CD1-CB 4.13Å; I239-E346 HydrophobicContact CD1-CG 3.48Å; I239-E346 VanDerWaalsContact CD1-CG 3.48Å; D342-E346 WeakPolarHBondContact O-CB 3.39Å; D342-E346 PolarHBondContact O-N 3.49Å; D343-E346 PolarHBondContact O-N 3.32Å; V344-E346 VanDerWaalsContact C-N 3.34Å; V344-E346 PolarHBondContact O-N 3.38Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.39Å; E346-R349 PolarHBondContact O-N 2.95Å; E346-R349 IonicContact OE2-CZ 2.6Å; E346-R349 IonicContact OE2-NH1 2.68Å; E346-R349 PolarHBondContact OE2-NH1 3.48Å; E346-R350 HydrophobicContact CG-CG 4.38Å; E346-R350 WeakPolarHBondContact O-CG 3.43Å; E346-R350 PolarHBondContact O-N 3.5Å; E346-R350 IonicContact OE1-CZ 2.62Å; E346-R350 IonicContact OE1-NE 2.58Å; E346-R350 PolarHBondContact OE1-NE 3.13Å; E346-R350 IonicContact OE1-NH2 2.99Å; E346-R350 PolarHBondContact OE1-NH2 3.1Å
347L94Very high92.4Very high3 Ų364.2 Ų64.22%0.01630%0.301CS..Hα-helixtrans-53.5-50.4173.6-85.2171.5000111.7I239 F240 R309 C313 D343 V344 R350 F351I239-L347 HydrophobicContact CD1-CD2 4.22Å; I239-L347 HydrophobicContact CD1-CG 4.39Å; I239-L347 HydrophobicContact CG1-CD2 3.89Å; I239-L347 HydrophobicContact CG1-CG 4.37Å; F240-L347 HydrophobicContact CD1-CD2 3.8Å; F240-L347 HydrophobicContact CE1-CD2 3.87Å; R309-L347 HydrophobicContact CB-CD2 4.39Å; C313-L347 HydrophobicContact CB-CB 4.46Å; C313-L347 VanDerWaalsContact SG-C 3.51Å; C313-L347 PolarHBondContact SG-O 2.95Å; D343-L347 WeakPolarHBondContact O-CB 3.3Å; D343-L347 WeakPolarHBondContact O-CG 2.82Å; D343-L347 PolarHBondContact O-N 3.46Å; V344-L347 WeakPolarHBondContact O-CB 3.41Å; V344-L347 PolarHBondContact O-N 2.93Å; L347-R350 PolarHBondContact O-N 3.13Å; L347-F351 WeakPolarHBondContact O-CB 3.42Å; L347-F351 PolarHBondContact O-N 3.23Å
348E94.6Very high93.1Very high18 Ų1857.9 Ų57.98%0.08428%0.276CS..Hα-helixtrans-62.2-44.7178.2-80.2-177.1-123.900113.2V316 L317 K320 N329 V344 E346 R350 F351 L352V316-E348 HydrophobicContact CG1-CG 3.94Å; V316-E348 WeakPolarHBondContact CG1-OE1 3.29Å; L317-E348 HydrophobicContact CD2-CB 4.15Å; L317-E348 HydrophobicContact CD2-CG 3.88Å; L317-E348 HydrophobicContact CG-CG 4.26Å; K320-E348 WeakPolarHBondContact CD-OE2 3.44Å; K320-E348 WeakPolarHBondContact CE-OE1 3.35Å; K320-E348 WeakPolarHBondContact CE-OE2 3.33Å; K320-E348 IonicContact NZ-OE1 2.75Å; K320-E348 PolarHBondContact NZ-OE1 3.42Å; K320-E348 IonicContact NZ-OE2 2.7Å; K320-E348 PolarHBondContact NZ-OE2 3.39Å; N329-E348 PolarHBondContact ND2-OE1 3.3Å; N329-E348 PolarHBondContact OD1-OE1 2.92Å; V344-E348 PolarHBondContact O-N 2.81Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.39Å; E348-R350 VanDerWaalsContact C-N 3.35Å; E348-R350 PolarHBondContact O-N 3.27Å; E348-F351 PolarHBondContact O-N 3.14Å; E348-L352 WeakPolarHBondContact O-CB 3Å; E348-L352 WeakPolarHBondContact O-CG 3.16Å; E348-L352 PolarHBondContact O-N 3.2Å
349R94.8Very high93.8Very high99 Ų9957.8 Ų57.837%0.37428%0.275SS..Hα-helixtrans-58.2-49.4178.6-177-175.9-62.994.68.5110.5N345 E346 L352 E353N345-R349 WeakPolarHBondContact O-CB 3.3Å; N345-R349 PolarHBondContact O-N 3.43Å; N345-R349 VanDerWaalsContact O-N 3.1Å; N345-R349 PolarHBondContact O-NH1 2.85Å; E346-R349 PolarHBondContact O-N 2.95Å; E346-R349 IonicContact OE2-CZ 2.6Å; E346-R349 IonicContact OE2-NH1 2.68Å; E346-R349 PolarHBondContact OE2-NH1 3.48Å; R349-L352 PolarHBondContact O-N 2.68Å; R349-E353 WeakPolarHBondContact O-CG 2.98Å; R349-E353 PolarHBondContact O-N 2.7Å
350R94.3Very high94Very high92 Ų9263 Ų6335%0.34730%0.303SS..Hα-helixtrans-64.5-41.5179.1-66.5-51.4-175.3163.24.7113I239 E346 L347 E348 L352 E353 I354I239-R350 HydrophobicContact CD1-CB 3.99Å; I239-R350 HydrophobicContact CD1-CG 3.46Å; I239-R350 VanDerWaalsContact CD1-CG 3.46Å; I239-R350 HydrophobicContact CG2-CB 4.1Å; I239-R350 HydrophobicContact CG2-CG 4.21Å; E346-R350 HydrophobicContact CG-CG 4.38Å; E346-R350 WeakPolarHBondContact O-CG 3.43Å; E346-R350 PolarHBondContact O-N 3.5Å; E346-R350 IonicContact OE1-CZ 2.62Å; E346-R350 IonicContact OE1-NE 2.58Å; E346-R350 PolarHBondContact OE1-NE 3.13Å; E346-R350 IonicContact OE1-NH2 2.99Å; E346-R350 PolarHBondContact OE1-NH2 3.1Å; L347-R350 PolarHBondContact O-N 3.13Å; E348-R350 VanDerWaalsContact C-N 3.35Å; E348-R350 PolarHBondContact O-N 3.27Å; R350-L352 VanDerWaalsContact C-N 3.35Å; R350-L352 PolarHBondContact O-N 2.75Å; R350-E353 WeakPolarHBondContact CD-OE2 3.33Å; R350-E353 IonicContact CZ-OE2 3.02Å; R350-E353 IonicContact NE-OE2 3.73Å; R350-E353 IonicContact NH1-OE2 3.47Å; R350-E353 PolarHBondContact NH1-OE2 2.71Å; R350-E353 VanDerWaalsContact NH1-OE2 3.1Å; R350-E353 PolarHBondContact O-N 2.7Å; R350-I354 WeakPolarHBondContact O-CD1 3.2Å; R350-I354 VanDerWaalsContact O-CG1 3.28Å; R350-I354 WeakPolarHBondContact O-CG1 3.38Å; R350-I354 PolarHBondContact O-N 3.21Å
351F95Very high94.2Very high0 Ų057.2 Ų57.20%028%0.277CS..Hα-helixtrans-62.1-45176.5-166.5-60.7000111F240 Y290 L294 I310 C313 A314 L317 L347 E348 I354 I355F240-F351 HydrophobicContact CE1-CD2 4.25Å; F240-F351 HydrophobicContact CZ-CB 4.33Å; F240-F351 HydrophobicContact CZ-CD2 4.24Å; Y290-F351 WeakPolarHBondContact O-CZ 3.27Å; L294-F351 HydrophobicContact CB-CE1 4.07Å; L294-F351 HydrophobicContact CB-CE2 4.09Å; L294-F351 HydrophobicContact CB-CZ 3.72Å; L294-F351 HydrophobicContact CD1-CB 4.4Å; L294-F351 HydrophobicContact CD1-CD1 4.07Å; L294-F351 HydrophobicContact CD1-CD2 3.21Å; L294-F351 HydrophobicContact CD1-CE1 4.1Å; L294-F351 HydrophobicContact CD1-CE2 3.29Å; L294-F351 HydrophobicContact CD1-CG 3.64Å; L294-F351 HydrophobicContact CD1-CZ 3.74Å; L294-F351 HydrophobicContact CG-CE2 4.26Å; L294-F351 HydrophobicContact CG-CZ 4.36Å; I310-F351 HydrophobicContact CG2-CE2 4.48Å; C313-F351 HydrophobicContact CB-CD2 3.67Å; C313-F351 HydrophobicContact CB-CE2 4.28Å; C313-F351 HydrophobicContact CB-CG 4.47Å; C313-F351 WeakPolarHBondContact SG-CB 3.41Å; C313-F351 WeakPolarHBondContact SG-CD2 3.33Å; A314-F351 HydrophobicContact CB-CE2 3.84Å; A314-F351 HydrophobicContact CB-CZ 3.89Å; L317-F351 HydrophobicContact CD1-CB 3.78Å; L317-F351 HydrophobicContact CD1-CD1 3.17Å; L317-F351 HydrophobicContact CD1-CD2 4.28Å; L317-F351 HydrophobicContact CD1-CE1 3.78Å; L317-F351 HydrophobicContact CD1-CG 3.48Å; L317-F351 VanDerWaalsContact CD1-CG 3.48Å; L347-F351 WeakPolarHBondContact O-CB 3.42Å; L347-F351 PolarHBondContact O-N 3.23Å; E348-F351 PolarHBondContact O-N 3.14Å; F351-I354 PolarHBondContact O-N 2.75Å; F351-I355 HydrophobicContact CD1-CD1 4.17Å; F351-I355 HydrophobicContact CD1-CG1 4.43Å; F351-I355 HydrophobicContact CD1-CG2 3.98Å; F351-I355 HydrophobicContact CE1-CD1 4.15Å; F351-I355 HydrophobicContact CE1-CG2 3.74Å; F351-I355 WeakPolarHBondContact O-CG1 3.48Å; F351-I355 PolarHBondContact O-N 3.27Å
352L95.3Very high94.3Very high35 Ų3557.4 Ų57.418%0.18328%0.279CS..Hα-helixtrans-62.9-40.8177.3-74.9172.2000112.7L317 E348 R349 R350 I355 Q356 F357 I359L317-L352 HydrophobicContact CD1-CD2 4.27Å; L317-L352 HydrophobicContact CD1-CG 4.24Å; L317-L352 HydrophobicContact CD2-CD1 4.04Å; L317-L352 HydrophobicContact CD2-CD2 4.03Å; L317-L352 HydrophobicContact CD2-CG 3.87Å; E348-L352 WeakPolarHBondContact O-CB 3Å; E348-L352 WeakPolarHBondContact O-CG 3.16Å; E348-L352 PolarHBondContact O-N 3.2Å; R349-L352 PolarHBondContact O-N 2.68Å; R350-L352 VanDerWaalsContact C-N 3.35Å; R350-L352 PolarHBondContact O-N 2.75Å; L352-I355 HydrophobicContact CD2-CD1 4.28Å; L352-Q356 PolarHBondContact O-N 3.49Å; L352-Q356 VanDerWaalsContact O-N 3.1Å; L352-F357 HydrophobicContact CB-CD1 3.98Å; L352-F357 HydrophobicContact CB-CE1 3.79Å; L352-F357 HydrophobicContact CB-CZ 4.34Å; L352-F357 HydrophobicContact CD1-CD1 4.49Å; L352-F357 HydrophobicContact CD1-CE1 4.28Å; L352-F357 HydrophobicContact CD2-CD1 4.37Å; L352-F357 PolarHBondContact O-N 3.31Å; L352-I359 HydrophobicContact CD2-CG2 3.77Å
353E94.3Very high94.3Very high72 Ų7256 Ų5634%0.33628%0.279SS..Hα-helixtrans-58.7-47.6173.8-76.3171.4-172.900111.3R349 R350 Q356R349-E353 WeakPolarHBondContact O-CG 2.98Å; R349-E353 PolarHBondContact O-N 2.7Å; R350-E353 WeakPolarHBondContact CD-OE2 3.33Å; R350-E353 IonicContact CZ-OE2 3.02Å; R350-E353 IonicContact NE-OE2 3.73Å; R350-E353 IonicContact NH1-OE2 3.47Å; R350-E353 PolarHBondContact NH1-OE2 2.71Å; R350-E353 VanDerWaalsContact NH1-OE2 3.1Å; R350-E353 PolarHBondContact O-N 2.7Å; E353-Q356 PolarHBondContact O-N 2.73Å
354I92.8Very high94.3Very high16 Ų1657.4 Ų57.48%0.08229%0.292CS..Hα-helixtrans-62.2-46.1-179.5-71.4165.1000111.5M236 F240 L294 S297 A298 R350 F351 Q356M236-I354 HydrophobicContact CE-CG1 4.08Å; M236-I354 HydrophobicContact SD-CG1 4.36Å; F240-I354 HydrophobicContact CE2-CD1 3.62Å; F240-I354 HydrophobicContact CZ-CD1 4.13Å; L294-I354 HydrophobicContact CD1-CD1 4.45Å; L294-I354 HydrophobicContact CD1-CG2 4.48Å; L294-I354 HydrophobicContact CG-CG2 4.07Å; S297-I354 WeakPolarHBondContact CB-O 3.45Å; A298-I354 HydrophobicContact CB-CG2 3.71Å; R350-I354 WeakPolarHBondContact O-CD1 3.2Å; R350-I354 VanDerWaalsContact O-CG1 3.28Å; R350-I354 WeakPolarHBondContact O-CG1 3.38Å; R350-I354 PolarHBondContact O-N 3.21Å; F351-I354 PolarHBondContact O-N 2.75Å; I354-Q356 PolarHBondContact O-N 3.43Å
355I93.6Very high94.3Very high2 Ų257.4 Ų57.41%0.0129%0.291CS..THydrogen-bonded Turntrans-79.77.1177.771.2171.5000112.8R293 L294 F351 L352 F357 N358 I359R293-I355 HydrophobicContact CB-CB 4.43Å; R293-I355 HydrophobicContact CB-CG2 3.88Å; L294-I355 HydrophobicContact CB-CG2 4.12Å; F351-I355 HydrophobicContact CD1-CD1 4.17Å; F351-I355 HydrophobicContact CD1-CG1 4.43Å; F351-I355 HydrophobicContact CD1-CG2 3.98Å; F351-I355 HydrophobicContact CE1-CD1 4.15Å; F351-I355 HydrophobicContact CE1-CG2 3.74Å; F351-I355 WeakPolarHBondContact O-CG1 3.48Å; F351-I355 PolarHBondContact O-N 3.27Å; L352-I355 HydrophobicContact CD2-CD1 4.28Å; I355-F357 PolarHBondContact O-N 2.64Å; I355-F357 VanDerWaalsContact O-N 3.15Å; I355-N358 WeakPolarHBondContact O-CB 3.48Å; I355-N358 PolarHBondContact O-N 2.75Å; I355-I359 HydrophobicContact CD1-CG2 4.15Å
356Q94.2Very high94.3Very high164 Ų16455.7 Ų55.777%0.76628%0.281SS*.THydrogen-bonded Turntrans51.339.4-179-58.6177.6-28.900112.7L352 E353 I354 N358L352-Q356 PolarHBondContact O-N 3.49Å; L352-Q356 VanDerWaalsContact O-N 3.1Å; E353-Q356 PolarHBondContact O-N 2.73Å; I354-Q356 PolarHBondContact O-N 3.43Å; Q356-N358 PolarHBondContact O-N 2.86Å; Q356-N358 VanDerWaalsContact O-N 3.07Å
357F94.2Very high94.3Very high134 Ų13454 Ų5459%0.58828%0.277SS*.THydrogen-bonded Turntrans57.119.2-176.7-57.2-92000114.8L352 I355 I359L352-F357 HydrophobicContact CB-CD1 3.98Å; L352-F357 HydrophobicContact CB-CE1 3.79Å; L352-F357 HydrophobicContact CB-CZ 4.34Å; L352-F357 HydrophobicContact CD1-CD1 4.49Å; L352-F357 HydrophobicContact CD1-CE1 4.28Å; L352-F357 HydrophobicContact CD2-CD1 4.37Å; L352-F357 PolarHBondContact O-N 3.31Å; I355-F357 PolarHBondContact O-N 2.64Å; I355-F357 VanDerWaalsContact O-N 3.15Å; F357-I359 VanDerWaalsContact C-N 3.26Å; F357-I359 PolarHBondContact O-N 3.05Å
358N93.8Very high94.3Very high49 Ų4954.8 Ų54.826%0.26228%0.28SS..  trans-73.878.9173.8-177.812000110.9L146 R293 I355 Q356L146-N358 VanDerWaalsContact CD2-ND2 3.33Å; L146-N358 WeakPolarHBondContact CD2-ND2 3.31Å; R293-N358 WeakPolarHBondContact CD-O 3.42Å; R293-N358 PolarHBondContact NH1-O 2.98Å; R293-N358 PolarHBondContact NH1-OD1 3.03Å; I355-N358 WeakPolarHBondContact O-CB 3.48Å; I355-N358 PolarHBondContact O-N 2.75Å; Q356-N358 PolarHBondContact O-N 2.86Å; Q356-N358 VanDerWaalsContact O-N 3.07Å
359I94.3Very high94.3Very high64 Ų6454 Ų5433%0.32828%0.276SS..  trans-96.7-8.717961.7169.3000113.2Y290 V321 L352 I355 F357 V361Y290-I359 PolarHBondContact OH-O 2.93Å; V321-I359 HydrophobicContact CG1-CD1 4.45Å; V321-I359 HydrophobicContact CG2-CB 4.39Å; V321-I359 HydrophobicContact CG2-CD1 4.14Å; L352-I359 HydrophobicContact CD2-CG2 3.77Å; I355-I359 HydrophobicContact CD1-CG2 4.15Å; F357-I359 VanDerWaalsContact C-N 3.26Å; F357-I359 PolarHBondContact O-N 3.05Å; I359-V361 PolarHBondContact O-N 3.18Å
360N94.5Very high94.3Very high116 Ų11649.4 Ų49.462%0.6226%0.259SS*.  trans-72.4129.8-177.1-178.734.7000110.9R293R293-N360 VanDerWaalsContact CZ-O 3.28Å; R293-N360 PolarHBondContact NH1-O 3.15Å; R293-N360 PolarHBondContact NH2-O 3.28Å
361V94.5Very high94.2Very high12 Ų1250.5 Ų50.57%0.07327%0.267CS..  trans-121.3100.8177.2-175.40000109.5V286 V289 Y290 I359 V365V286-V361 HydrophobicContact CG1-CG2 4.36Å; V289-V361 HydrophobicContact CB-CG2 4.46Å; V289-V361 HydrophobicContact CG1-CG1 4.43Å; V289-V361 HydrophobicContact CG1-CG2 4.04Å; V289-V361 HydrophobicContact CG2-CG1 4.16Å; Y290-V361 HydrophobicContact CE1-CG2 3.86Å; I359-V361 PolarHBondContact O-N 3.18Å; V361-V365 HydrophobicContact CG1-CB 4.38Å; V361-V365 HydrophobicContact CG1-CG1 4.23Å
362P94.3Very high94Very high51 Ų5151.8 Ų51.833%0.33127%0.274SS..  trans-59.8150.5174.6-23.933.9000112.3S364 V365 Y366P362-S364 PolarHBondContact O-N 3.16Å; P362-V365 HydrophobicContact CB-CG2 4.29Å; P362-V365 HydrophobicContact CG-CG2 4.25Å; P362-V365 PolarHBondContact O-N 3.19Å; P362-V365 VanDerWaalsContact O-N 3.08Å; P362-Y366 PolarHBondContact O-N 3.44Å
363S93.8Very high93.8Very high99 Ų9950.2 Ų50.269%0.69227%0.265SS*.Hα-helixtrans-59.5-31.2-178.8-54.60000113.6A367S363-A367 VanDerWaalsContact O-CB 3.31Å; S363-A367 WeakPolarHBondContact O-CB 3.46Å; S363-A367 PolarHBondContact O-N 3.08Å
364S93.6Very high93.4Very high63 Ų6349 Ų4944%0.44126%0.258SS..Hα-helixtrans-66.6-43.8175.452.20000112.1P362 A367 K368P362-S364 PolarHBondContact O-N 3.16Å; S364-A367 PolarHBondContact O-N 2.68Å; S364-K368 WeakPolarHBondContact O-CB 3.26Å; S364-K368 PolarHBondContact O-N 3.33Å
365V94.4Very high93.1Very high2 Ų249.8 Ų49.81%0.01227%0.265CS..Hα-helixtrans-63.7-49.4174.5176.60000109.5S145 V289 V361 P362 A367 K368 Y369S145-V365 VanDerWaalsContact O-CG1 3.31Å; S145-V365 WeakPolarHBondContact O-CG1 3.39Å; V289-V365 HydrophobicContact CG1-CG1 4.24Å; V289-V365 HydrophobicContact CG2-CG1 4.25Å; V361-V365 HydrophobicContact CG1-CB 4.38Å; V361-V365 HydrophobicContact CG1-CG1 4.23Å; P362-V365 HydrophobicContact CB-CG2 4.29Å; P362-V365 HydrophobicContact CG-CG2 4.25Å; P362-V365 PolarHBondContact O-N 3.19Å; P362-V365 VanDerWaalsContact O-N 3.08Å; V365-A367 VanDerWaalsContact C-N 3.33Å; V365-A367 PolarHBondContact O-N 3.46Å; V365-K368 WeakPolarHBondContact O-CB 3.45Å; V365-K368 PolarHBondContact O-N 2.94Å; V365-Y369 HydrophobicContact CG1-CD2 3.75Å; V365-Y369 HydrophobicContact CG1-CE2 3.73Å; V365-Y369 WeakPolarHBondContact O-CD2 3.41Å; V365-Y369 PolarHBondContact O-N 3.33Å
366Y95.7Very high92.7Very high19 Ų1949.7 Ų49.78%0.07526%0.264CS..Hα-helixtrans-53.7-49.4176.3177.3-86.3000112.1V204 E282 I285 V286 W322 P362 K368 Y369 Y370V204-Y366 HydrophobicContact CG1-CD1 4Å; V204-Y366 HydrophobicContact CG1-CE1 3.8Å; V204-Y366 WeakPolarHBondContact O-CE1 3.44Å; V204-Y366 PolarHBondContact O-OH 3Å; E282-Y366 HydrophobicContact CB-CE2 4.35Å; E282-Y366 VanDerWaalsContact CG-OH 3.28Å; E282-Y366 WeakPolarHBondContact CG-OH 3.39Å; I285-Y366 HydrophobicContact CB-CD2 4.25Å; I285-Y366 HydrophobicContact CB-CE2 3.74Å; I285-Y366 HydrophobicContact CD1-CE1 4.25Å; I285-Y366 HydrophobicContact CD1-CE2 3.95Å; I285-Y366 WeakPolarHBondContact CD1-OH 3.47Å; I285-Y366 HydrophobicContact CG1-CE2 4.47Å; I285-Y366 HydrophobicContact CG2-CD2 3.66Å; I285-Y366 HydrophobicContact CG2-CE2 3.63Å; I285-Y366 HydrophobicContact CG2-CG 4.21Å; V286-Y366 HydrophobicContact CG2-CD2 4.35Å; V286-Y366 HydrophobicContact CG2-CE2 4.45Å; W322-Y366 HydrophobicContact CH2-CD2 4.47Å; W322-Y366 HydrophobicContact CZ2-CD2 4.24Å; W322-Y366 HydrophobicContact CZ2-CE2 4.15Å; P362-Y366 PolarHBondContact O-N 3.44Å; Y366-K368 PolarHBondContact O-N 3.17Å; Y366-Y369 PolarHBondContact O-N 2.72Å; Y366-Y370 WeakPolarHBondContact O-CB 3.15Å; Y366-Y370 PolarHBondContact O-N 2.91Å
367A95Very high91.8Very high24 Ų2442.5 Ų42.520%0.19823%0.232CC..Hα-helixtrans-62.2-42.2-179.700000112.1V204 S363 S364 V365 Y370 F371V204-A367 HydrophobicContact CG1-CB 4.12Å; S363-A367 VanDerWaalsContact O-CB 3.31Å; S363-A367 WeakPolarHBondContact O-CB 3.46Å; S363-A367 PolarHBondContact O-N 3.08Å; S364-A367 PolarHBondContact O-N 2.68Å; V365-A367 VanDerWaalsContact C-N 3.33Å; V365-A367 PolarHBondContact O-N 3.46Å; A367-Y370 WeakPolarHBondContact O-CB 3.29Å; A367-Y370 PolarHBondContact O-N 3.46Å; A367-F371 HydrophobicContact CB-CE2 4.37Å; A367-F371 WeakPolarHBondContact O-CD2 3.46Å; A367-F371 PolarHBondContact O-N 2.93Å
368K93.7Very high90.5Very high20 Ų2036.5 Ų36.59%0.08721%0.207CC..Hα-helixtrans-57.2-53.9174.2174.8-145169.6-163.80111.1P144 K150 S364 V365 Y366 Y370 F371 D372P144-K368 PolarHBondContact O-NZ 2.85Å; K150-K368 WeakPolarHBondContact O-CE 3.37Å; K150-K368 PolarHBondContact O-NZ 3.36Å; S364-K368 WeakPolarHBondContact O-CB 3.26Å; S364-K368 PolarHBondContact O-N 3.33Å; V365-K368 WeakPolarHBondContact O-CB 3.45Å; V365-K368 PolarHBondContact O-N 2.94Å; Y366-K368 PolarHBondContact O-N 3.17Å; K368-Y370 VanDerWaalsContact C-N 3.3Å; K368-Y370 PolarHBondContact O-N 3.44Å; K368-F371 PolarHBondContact O-N 2.79Å; K368-F371 VanDerWaalsContact O-N 3.15Å; K368-D372 WeakPolarHBondContact O-CB 3.32Å; K368-D372 PolarHBondContact O-N 2.98Å
369Y95.1Very high88.8Confident0 Ų038.1 Ų38.10%022%0.221CC..Hα-helixtrans-61.8-38.3180-84.5-98.4000112S145 T152 M288 V289 E292 V365 Y366 F371 D372 I373S145-Y369 WeakPolarHBondContact CA-OH 3.34Å; T152-Y369 HydrophobicContact CG2-CD1 3.69Å; T152-Y369 HydrophobicContact CG2-CD2 4.25Å; T152-Y369 HydrophobicContact CG2-CE1 3.37Å; T152-Y369 HydrophobicContact CG2-CE2 4Å; T152-Y369 HydrophobicContact CG2-CG 4.13Å; M288-Y369 HydrophobicContact CB-CD1 3.96Å; M288-Y369 HydrophobicContact CG-CD1 3.64Å; M288-Y369 HydrophobicContact CG-CE1 4.01Å; V289-Y369 HydrophobicContact CG2-CD1 3.94Å; V289-Y369 HydrophobicContact CG2-CD2 3.63Å; V289-Y369 HydrophobicContact CG2-CE1 4.24Å; V289-Y369 HydrophobicContact CG2-CE2 3.94Å; V289-Y369 HydrophobicContact CG2-CG 3.62Å; E292-Y369 HydrophobicContact CB-CE1 4.42Å; E292-Y369 HydrophobicContact CG-CE1 4.1Å; E292-Y369 PolarHBondContact OE2-OH 3.26Å; V365-Y369 HydrophobicContact CG1-CD2 3.75Å; V365-Y369 HydrophobicContact CG1-CE2 3.73Å; V365-Y369 WeakPolarHBondContact O-CD2 3.41Å; V365-Y369 PolarHBondContact O-N 3.33Å; Y366-Y369 PolarHBondContact O-N 2.72Å; Y369-F371 PolarHBondContact O-N 3.07Å; Y369-D372 PolarHBondContact O-N 3.41Å; Y369-I373 WeakPolarHBondContact O-CG1 3.32Å; Y369-I373 WeakPolarHBondContact O-CG2 3.4Å; Y369-I373 PolarHBondContact O-N 3.2Å
370Y94.1Very high87.1Confident4 Ų439.9 Ų39.92%0.01624%0.238CC..Hα-helixtrans-55.7-50.4172.4166.7-93.3000112.1S202 T203 V204 P207 I285 Y366 A367 K368 I373 R374S202-Y370 PolarHBondContact O-OH 3.15Å; S202-Y370 VanDerWaalsContact O-OH 3.07Å; S202-Y370 PolarHBondContact OG-OH 2.88Å; S202-Y370 VanDerWaalsContact OG-OH 3.08Å; T203-Y370 VanDerWaalsContact C-CZ 3.42Å; T203-Y370 WeakPolarHBondContact CA-OH 3.37Å; T203-Y370 WeakPolarHBondContact O-CE2 3.28Å; T203-Y370 PolarHBondContact O-OH 3.1Å; T203-Y370 VanDerWaalsContact O-OH 3.13Å; V204-Y370 HydrophobicContact CB-CD1 4.17Å; V204-Y370 HydrophobicContact CB-CE1 4.25Å; V204-Y370 HydrophobicContact CG1-CD1 4.47Å; V204-Y370 HydrophobicContact CG2-CD1 3.51Å; V204-Y370 HydrophobicContact CG2-CE1 3.55Å; V204-Y370 HydrophobicContact CG2-CG 4.3Å; P207-Y370 HydrophobicContact CB-CD2 4.33Å; P207-Y370 HydrophobicContact CB-CE2 3.98Å; I285-Y370 HydrophobicContact CD1-CD2 3.73Å; I285-Y370 HydrophobicContact CD1-CG 4.41Å; Y366-Y370 WeakPolarHBondContact O-CB 3.15Å; Y366-Y370 PolarHBondContact O-N 2.91Å; A367-Y370 WeakPolarHBondContact O-CB 3.29Å; A367-Y370 PolarHBondContact O-N 3.46Å; K368-Y370 VanDerWaalsContact C-N 3.3Å; K368-Y370 PolarHBondContact O-N 3.44Å; Y370-I373 WeakPolarHBondContact O-CG1 3.27Å; Y370-R374 WeakPolarHBondContact O-CB 3.45Å; Y370-R374 PolarHBondContact O-N 3Å; Y370-R374 PolarHBondContact OH-NH1 2.94Å
371F91.5Very high85.5Confident115 Ų11536.4 Ų36.450%0.50422%0.217SC..Hα-helixtrans-67.8-40.1-179.5-69.3-58000112V204 A367 K368 Y369 R374 S375V204-F371 HydrophobicContact CG2-CE1 3.98Å; V204-F371 HydrophobicContact CG2-CE2 3.9Å; V204-F371 HydrophobicContact CG2-CZ 3.41Å; V204-F371 VanDerWaalsContact CG2-CZ 3.41Å; A367-F371 HydrophobicContact CB-CE2 4.37Å; A367-F371 WeakPolarHBondContact O-CD2 3.46Å; A367-F371 PolarHBondContact O-N 2.93Å; K368-F371 PolarHBondContact O-N 2.79Å; K368-F371 VanDerWaalsContact O-N 3.15Å; Y369-F371 PolarHBondContact O-N 3.07Å; F371-R374 PolarHBondContact O-N 3.44Å; F371-S375 PolarHBondContact O-N 3.35Å
372D91.3Very high84Confident26 Ų2640.7 Ų40.714%0.13924%0.236CC..Hα-helixtrans-63.4-49.7-180-75.90.6000111.1T152 F154 M155 K368 Y369 R374 S375T152-D372 WeakPolarHBondContact CB-OD2 3.4Å; T152-D372 HydrophobicContact CG2-CB 4.3Å; T152-D372 WeakPolarHBondContact CG2-OD2 3.36Å; T152-D372 PolarHBondContact OG1-OD2 3.49Å; F154-D372 HydrophobicContact CE1-CB 4.26Å; F154-D372 HydrophobicContact CE2-CB 4.3Å; F154-D372 HydrophobicContact CZ-CB 3.54Å; M155-D372 HydrophobicContact CG-CB 4.14Å; M155-D372 HydrophobicContact SD-CB 3.86Å; K368-D372 WeakPolarHBondContact O-CB 3.32Å; K368-D372 PolarHBondContact O-N 2.98Å; Y369-D372 PolarHBondContact O-N 3.41Å; D372-R374 VanDerWaalsContact C-N 3.34Å; D372-R374 PolarHBondContact O-N 2.88Å; D372-S375 WeakPolarHBondContact O-CB 3.44Å; D372-S375 PolarHBondContact O-N 2.92Å; D372-S375 PolarHBondContact O-OG 2.94Å
373I91.2Very high82.9Confident2 Ų238.6 Ų38.61%0.0122%0.223CC..Hα-helixtrans-67.8-37.3178.670.5-178.8000110.8F154 T212 A215 A219 I285 M288 Y369 Y370 S375 L376F154-I373 HydrophobicContact CE1-CG2 4.1Å; F154-I373 HydrophobicContact CZ-CG2 3.74Å; T212-I373 HydrophobicContact CG2-CD1 3.94Å; A215-I373 HydrophobicContact CB-CB 4.06Å; A215-I373 HydrophobicContact CB-CG1 4.24Å; A215-I373 VanDerWaalsContact CB-O 3.22Å; A215-I373 WeakPolarHBondContact CB-O 3.35Å; A219-I373 HydrophobicContact CB-CG2 4.45Å; I285-I373 HydrophobicContact CG1-CD1 3.69Å; M288-I373 HydrophobicContact CB-CG2 4.4Å; M288-I373 HydrophobicContact CG-CG2 3.85Å; M288-I373 HydrophobicContact SD-CG2 4.38Å; Y369-I373 WeakPolarHBondContact O-CG1 3.32Å; Y369-I373 WeakPolarHBondContact O-CG2 3.4Å; Y369-I373 PolarHBondContact O-N 3.2Å; Y370-I373 WeakPolarHBondContact O-CG1 3.27Å; I373-S375 PolarHBondContact O-N 3.12Å; I373-L376 WeakPolarHBondContact O-CA 3.33Å; I373-L376 WeakPolarHBondContact O-CB 3.15Å; I373-L376 PolarHBondContact O-N 3.3Å
374R86.8Confident82Confident48 Ų4837.5 Ų37.518%0.18121%0.212CC..Hα-helixtrans-61.9-32.7177.5-177-171.3-172.594.6-25.6112.1H200 S202 Y370 F371 D372 L376 C377H200-R374 PolarHBondContact CD2-NH2 2.84Å; S202-R374 PolarHBondContact O-NH2 3.34Å; S202-R374 PolarHBondContact OG-NH1 3.03Å; Y370-R374 WeakPolarHBondContact O-CB 3.45Å; Y370-R374 PolarHBondContact O-N 3Å; Y370-R374 PolarHBondContact OH-NH1 2.94Å; F371-R374 PolarHBondContact O-N 3.44Å; D372-R374 VanDerWaalsContact C-N 3.34Å; D372-R374 PolarHBondContact O-N 2.88Å; R374-L376 PolarHBondContact O-N 2.69Å; R374-L376 VanDerWaalsContact O-N 3.17Å; R374-C377 VanDerWaalsContact O-CB 3.24Å; R374-C377 WeakPolarHBondContact O-CB 3.47Å; R374-C377 PolarHBondContact O-N 2.86Å
375S85.3Confident81.3Confident32 Ų3238.6 Ų38.622%0.22421%0.212CC..Hα-helixtrans-60.3-23.5174.381.70000112.6M155 F371 D372 I373M155-S375 WeakPolarHBondContact CE-OG 3.29Å; F371-S375 PolarHBondContact O-N 3.35Å; D372-S375 WeakPolarHBondContact O-CB 3.44Å; D372-S375 PolarHBondContact O-N 2.92Å; D372-S375 PolarHBondContact O-OG 2.94Å; I373-S375 PolarHBondContact O-N 3.12Å
376L84.9Confident80.6Confident0 Ų039.5 Ų39.50%022%0.217CC..THydrogen-bonded Turntrans-78.9-17.9173.4-51.6-178.8000112.4F154 I162 K165 Q218 A219 L222 I373 R374 G378F154-L376 HydrophobicContact CD2-CD1 3.83Å; F154-L376 HydrophobicContact CD2-CD2 4.47Å; F154-L376 HydrophobicContact CD2-CG 4.48Å; F154-L376 HydrophobicContact CE2-CD1 3.59Å; F154-L376 HydrophobicContact CE2-CD2 4.26Å; F154-L376 HydrophobicContact CE2-CG 3.97Å; F154-L376 HydrophobicContact CZ-CD1 4.49Å; I162-L376 HydrophobicContact CD1-CD2 3.71Å; I162-L376 HydrophobicContact CG1-CD2 3.55Å; K165-L376 WeakPolarHBondContact CE-O 3.24Å; K165-L376 PolarHBondContact NZ-O 3.2Å; Q218-L376 HydrophobicContact CB-CB 4.28Å; Q218-L376 HydrophobicContact CB-CD1 4.32Å; Q218-L376 PolarHBondContact OE1-O 3.24Å; A219-L376 VanDerWaalsContact CA-CD1 3.45Å; A219-L376 HydrophobicContact CB-CD1 3.57Å; L222-L376 HydrophobicContact CD1-CD1 4.34Å; L222-L376 HydrophobicContact CD1-CD2 3.95Å; I373-L376 WeakPolarHBondContact O-CA 3.33Å; I373-L376 WeakPolarHBondContact O-CB 3.15Å; I373-L376 PolarHBondContact O-N 3.3Å; R374-L376 PolarHBondContact O-N 2.69Å; R374-L376 VanDerWaalsContact O-N 3.17Å; L376-G378 PolarHBondContact O-N 3.47Å
377C76.7Confident80Confident13 Ų1341.3 Ų41.39%0.08823%0.232CC..  trans-54.8116.9179-74.80000110.9R374 Y381R374-C377 VanDerWaalsContact O-CB 3.24Å; R374-C377 WeakPolarHBondContact O-CB 3.47Å; R374-C377 PolarHBondContact O-N 2.86Å; C377-Y381 HydrophobicContact CB-CG 4.44Å
378G67.2Low79.5Confident7 Ų745.7 Ų45.77%0.07226%0.257CS..  trans-69.1-174.3179.200000113.4K165 L376 S380 Y381K165-G378 VanDerWaalsContact CE-CA 3.46Å; L376-G378 PolarHBondContact O-N 3.47Å; G378-S380 PolarHBondContact O-N 3.3Å; G378-Y381 PolarHBondContact O-N 3.39Å
379P56.7Low79.2Confident84 Ų8450 Ų5055%0.54528%0.281SS..THydrogen-bonded Turntrans-62.2-8.6-174.226.4-35.9000114.5Y381 Q382P379-Y381 PolarHBondContact O-N 2.97Å; P379-Q382 WeakPolarHBondContact O-CG 3.4Å
380S59.4Low78.7Confident100 Ų10051.9 Ų51.970%0.69929%0.288SS*.THydrogen-bonded Turntrans-66.3-20171.3-50.20000112.9G378G378-S380 PolarHBondContact O-N 3.3Å
381Y61Low78.3Confident43 Ų4353 Ų5317%0.16930%0.298CS..SBendtrans-103.176.2173.7-150.3-112.7000108H200 S202 D208 S211 C377 G378 P379H200-Y381 HydrophobicContact CB-CE1 3.68Å; H200-Y381 AromaticContact CD2-CE1 3.88Å; H200-Y381 AromaticContact CE1-CD1 3.12Å; H200-Y381 WeakPolarHBondContact CE1-CD1 3.1Å; H200-Y381 AromaticContact CE1-CE1 3.43Å; H200-Y381 VanDerWaalsContact CE1-CE1 3.43Å; H200-Y381 WeakPolarHBondContact CE1-CE1 3.24Å; H200-Y381 AromaticContact CE1-CG 3.99Å; H200-Y381 PolarHBondContact CE1-O 2.98Å; H200-Y381 AromaticContact CG-CD1 3.87Å; H200-Y381 AromaticContact CG-CE1 3.3Å; H200-Y381 AromaticContact ND1-CD1 3.23Å; H200-Y381 WeakPolarHBondContact ND1-CD1 3.45Å; H200-Y381 AromaticContact ND1-CE1 3.01Å; H200-Y381 WeakPolarHBondContact ND1-CE1 2.97Å; H200-Y381 AromaticContact ND1-CZ 3.75Å; H200-Y381 AromaticContact NE2-CD1 3.74Å; H200-Y381 AromaticContact NE2-CE1 3.95Å; S202-Y381 WeakPolarHBondContact CB-OH 3.49Å; S202-Y381 PolarHBondContact N-OH 3.06Å; D208-Y381 HydrophobicContact CB-CE2 4.3Å; S211-Y381 VanDerWaalsContact CB-CD2 3.49Å; C377-Y381 HydrophobicContact CB-CG 4.44Å; G378-Y381 PolarHBondContact O-N 3.39Å; P379-Y381 PolarHBondContact O-N 2.97Å
382Q63Low78.1Confident102 Ų10255.6 Ų55.648%0.47731%0.306SS..PPolyproline II helixtrans-83.8121.4174.2-57.3-148-93.800108.4K172 P379K172-Q382 VanDerWaalsContact NZ-CD 3.31Å; P379-Q382 WeakPolarHBondContact O-CG 3.4Å
383P70.8Confident77.9Confident8 Ų860.8 Ų60.85%0.05233%0.327CS..PPolyproline II helixtrans-61.4144.4168.128.2-30.7000107.3Y173 W198 L199 H200Y173-P383 HydrophobicContact CE1-CG 3.54Å; Y173-P383 HydrophobicContact CE2-CG 4.44Å; Y173-P383 VanDerWaalsContact CZ-CG 3.47Å; Y173-P383 WeakPolarHBondContact OH-CD 3.45Å; Y173-P383 WeakPolarHBondContact OH-CG 3.42Å; W198-P383 HydrophobicContact CB-CB 3.75Å; W198-P383 HydrophobicContact CB-CG 3.78Å; W198-P383 HydrophobicContact CE3-CB 4.47Å; W198-P383 HydrophobicContact CE3-CG 4.13Å; W198-P383 HydrophobicContact CG-CG 4.44Å; L199-P383 WeakPolarHBondContact O-CA 3.46Å; H200-P383 WeakPolarHBondContact CE1-CA 3.24Å; H200-P383 VanDerWaalsContact CE1-CB 3.45Å; H200-P383 WeakPolarHBondContact CE1-CB 3.31Å; H200-P383 WeakPolarHBondContact CE1-CD 3.33Å; H200-P383 WeakPolarHBondContact ND1-CA 3.18Å
384T74.7Confident77.7Confident76 Ų7664.4 Ų64.447%0.46635%0.346SS..EExtended strand (participates in β ladder)trans-91.5144173.246.60000108.1L199 L386 R390L199-T384 PolarHBondContact N-O 3.47Å; L199-T384 PolarHBondContact O-N 3.35Å; L199-T384 PolarHBondContact O-OG1 3.23Å; T384-L386 PolarHBondContact O-N 3.5Å; T384-R390 PolarHBondContact OG1-NH1 3.37Å
385L79.6Confident77.7Confident85 Ų8565 Ų6545%0.44535%0.351SS..EExtended strand (participates in β ladder)trans-58.7136.8171.2-169.968.8000108.4W198 S387W198-L385 HydrophobicContact CD2-CD1 4.33Å; W198-L385 HydrophobicContact CE3-CB 4.49Å; W198-L385 HydrophobicContact CZ2-CD1 4.29Å; W198-L385 HydrophobicContact CZ3-CB 4.39Å; L385-S387 PolarHBondContact O-N 3.24Å
386L80Confident77.9Confident22 Ų2265.8 Ų65.812%0.11536%0.359CS..  trans-61.8105.2176.9178.954.8000109.6T194 I197 L199 T384 R390 A391 L394T194-L386 HydrophobicContact CG2-CD2 4.27Å; I197-L386 HydrophobicContact CB-CB 4.26Å; I197-L386 HydrophobicContact CB-CD2 4.23Å; I197-L386 HydrophobicContact CD1-CD2 4.4Å; I197-L386 HydrophobicContact CG2-CD2 4.26Å; I197-L386 WeakPolarHBondContact O-CB 3.14Å; I197-L386 PolarHBondContact O-N 3.39Å; L199-L386 HydrophobicContact CD1-CD1 3.75Å; L199-L386 HydrophobicContact CD1-CD2 4.28Å; L199-L386 HydrophobicContact CD1-CG 4.42Å; T384-L386 PolarHBondContact O-N 3.5Å; L386-R390 HydrophobicContact CD1-CB 3.87Å; L386-R390 HydrophobicContact CD1-CG 3.7Å; L386-A391 HydrophobicContact CD1-CB 4.07Å; L386-A391 HydrophobicContact CD2-CB 4.14Å; L386-A391 HydrophobicContact CG-CB 4.01Å; L386-L394 HydrophobicContact CD1-CD1 3.92Å
387S82.3Confident78Confident56 Ų5672.3 Ų72.339%0.39239%0.388SS..  trans-70.6156.8173.969.10000110.7L385 D389 R390 A391L385-S387 PolarHBondContact O-N 3.24Å; S387-D389 VanDerWaalsContact C-N 3.29Å; S387-D389 PolarHBondContact O-N 2.9Å; S387-R390 PolarHBondContact O-N 3.24Å; S387-R390 WeakPolarHBondContact OG-CB 3.31Å; S387-R390 PolarHBondContact OG-N 3.5Å; S387-R390 VanDerWaalsContact OG-N 3.15Å; S387-A391 WeakPolarHBondContact O-CB 3.38Å; S387-A391 PolarHBondContact O-N 3.17Å
388T84.3Confident78.5Confident116 Ų11674.6 Ų74.671%0.71240%0.404SS*.Hα-helixtrans-56-45.3174.947.40000111.4R390 A391 Y392T388-R390 VanDerWaalsContact C-N 3.31Å; T388-R390 PolarHBondContact O-N 3.42Å; T388-A391 WeakPolarHBondContact O-CB 3.47Å; T388-A391 PolarHBondContact O-N 3.36Å; T388-Y392 PolarHBondContact O-N 3.06Å
389D86.6Confident79.5Confident111 Ų11179.5 Ų79.559%0.59442%0.42SS*.Hα-helixtrans-63.9-39.2179.2-56.8-31.9000111.7S387 Y392 K393S387-D389 VanDerWaalsContact C-N 3.29Å; S387-D389 PolarHBondContact O-N 2.9Å; D389-Y392 PolarHBondContact O-N 3.37Å; D389-K393 VanDerWaalsContact O-CG 3.29Å; D389-K393 WeakPolarHBondContact O-CG 3.2Å; D389-K393 PolarHBondContact O-N 3.25Å
390R84.8Confident81Confident40 Ų4079.2 Ų79.215%0.15142%0.417CS..Hα-helixtrans-69.8-39.1177.2-176.7178.8-177.7177.15111.1L199 H200 D201 T384 L386 S387 T388 K393 L394L199-R390 PolarHBondContact O-NH1 2.87Å; H200-R390 VanDerWaalsContact C-NH2 3.33Å; H200-R390 PolarHBondContact O-NH2 3.42Å; D201-R390 IonicContact OD1-CZ 2.76Å; D201-R390 IonicContact OD1-NE 3.65Å; D201-R390 IonicContact OD1-NH1 3.81Å; D201-R390 IonicContact OD1-NH2 2.72Å; D201-R390 PolarHBondContact OD1-NH2 3.44Å; T384-R390 PolarHBondContact OG1-NH1 3.37Å; L386-R390 HydrophobicContact CD1-CB 3.87Å; L386-R390 HydrophobicContact CD1-CG 3.7Å; S387-R390 PolarHBondContact O-N 3.24Å; S387-R390 WeakPolarHBondContact OG-CB 3.31Å; S387-R390 PolarHBondContact OG-N 3.5Å; S387-R390 VanDerWaalsContact OG-N 3.15Å; T388-R390 VanDerWaalsContact C-N 3.31Å; T388-R390 PolarHBondContact O-N 3.42Å; R390-K393 PolarHBondContact O-N 2.92Å; R390-L394 HydrophobicContact CG-CD1 4.2Å; R390-L394 WeakPolarHBondContact O-CB 3.5Å; R390-L394 VanDerWaalsContact O-CG 3.26Å; R390-L394 WeakPolarHBondContact O-CG 3.46Å; R390-L394 PolarHBondContact O-N 3.23Å
391A85.9Confident82.2Confident28 Ų2879.8 Ų79.823%0.23141%0.41CS..Hα-helixtrans-61-45.9174.100000111.1L386 S387 T388 K393 L394 E395L386-A391 HydrophobicContact CD1-CB 4.07Å; L386-A391 HydrophobicContact CD2-CB 4.14Å; L386-A391 HydrophobicContact CG-CB 4.01Å; S387-A391 WeakPolarHBondContact O-CB 3.38Å; S387-A391 PolarHBondContact O-N 3.17Å; T388-A391 WeakPolarHBondContact O-CB 3.47Å; T388-A391 PolarHBondContact O-N 3.36Å; A391-K393 PolarHBondContact O-N 2.82Å; A391-L394 PolarHBondContact O-N 3.11Å; A391-E395 PolarHBondContact O-N 2.77Å
392Y87.5Confident83.4Confident169 Ų16981.8 Ų81.866%0.66342%0.423SS*.Hα-helixtrans-62-42.6178.1-154.4-87.3000112T388 D389 E395 A396T388-Y392 PolarHBondContact O-N 3.06Å; D389-Y392 PolarHBondContact O-N 3.37Å; Y392-E395 PolarHBondContact O-N 2.79Å; Y392-A396 WeakPolarHBondContact O-CB 3.02Å; Y392-A396 PolarHBondContact O-N 3.37Å
393K87.9Confident84.6Confident135 Ų13581.9 Ų81.959%0.58743%0.427SS*.Hα-helixtrans-61.1-45.9173.6-74.3174.8-176.7-178.50111.9D389 R390 A391 E395 A396 F397D389-K393 VanDerWaalsContact O-CG 3.29Å; D389-K393 WeakPolarHBondContact O-CG 3.2Å; D389-K393 PolarHBondContact O-N 3.25Å; R390-K393 PolarHBondContact O-N 2.92Å; A391-K393 PolarHBondContact O-N 2.82Å; K393-E395 VanDerWaalsContact C-N 3.34Å; K393-E395 PolarHBondContact O-N 3.38Å; K393-A396 PolarHBondContact O-N 2.79Å; K393-F397 HydrophobicContact CB-CE2 4.3Å; K393-F397 WeakPolarHBondContact O-CD2 3.44Å; K393-F397 WeakPolarHBondContact O-CG 3.48Å; K393-F397 PolarHBondContact O-N 3.34Å
394L86Confident85.3Confident78 Ų7886.1 Ų86.141%0.40845%0.446SS..Hα-helixtrans-63.7-39.1178.8-73.1171.5000112L199 L386 R390 A391 F397 S398L199-L394 HydrophobicContact CD1-CD1 3.44Å; L199-L394 VanDerWaalsContact CD1-CD1 3.44Å; L386-L394 HydrophobicContact CD1-CD1 3.92Å; R390-L394 HydrophobicContact CG-CD1 4.2Å; R390-L394 WeakPolarHBondContact O-CB 3.5Å; R390-L394 VanDerWaalsContact O-CG 3.26Å; R390-L394 WeakPolarHBondContact O-CG 3.46Å; R390-L394 PolarHBondContact O-N 3.23Å; A391-L394 PolarHBondContact O-N 3.11Å; L394-F397 PolarHBondContact O-N 3.17Å; L394-S398 WeakPolarHBondContact O-CB 3.44Å; L394-S398 PolarHBondContact O-N 3.25Å
395E87.7Confident85.8Confident60 Ų6088.9 Ų88.928%0.2845%0.452SS..Hα-helixtrans-64.9-43.1175.1-169.6-178.7174.300111.4A391 Y392 K393 F397 S398 R399A391-E395 PolarHBondContact O-N 2.77Å; Y392-E395 PolarHBondContact O-N 2.79Å; K393-E395 VanDerWaalsContact C-N 3.34Å; K393-E395 PolarHBondContact O-N 3.38Å; E395-F397 PolarHBondContact O-N 3.24Å; E395-S398 WeakPolarHBondContact O-CB 3.31Å; E395-S398 PolarHBondContact O-N 2.93Å; E395-R399 WeakPolarHBondContact O-CG 3.37Å; E395-R399 PolarHBondContact O-N 3.47Å; E395-R399 IonicContact OE1-CZ 3.53Å; E395-R399 IonicContact OE1-NE 3.6Å; E395-R399 IonicContact OE1-NH2 2.69Å; E395-R399 PolarHBondContact OE1-NH2 2.99Å
396A90Very high86.1Confident48 Ų4891.1 Ų91.140%0.39746%0.46SS..Hα-helixtrans-59.6-45.2174.800000111.9Y392 K393 R399 V400Y392-A396 WeakPolarHBondContact O-CB 3.02Å; Y392-A396 PolarHBondContact O-N 3.37Å; K393-A396 PolarHBondContact O-N 2.79Å; A396-R399 PolarHBondContact O-N 2.87Å; A396-V400 WeakPolarHBondContact O-CG2 3.4Å; A396-V400 PolarHBondContact O-N 3.33Å
397F86.3Confident86.3Confident138 Ų13894.7 Ų94.761%0.60548%0.479SS*.Hα-helixtrans-64-40.6175-69.6-54.5000112.6K393 L394 E395 R399 V400 M401K393-F397 HydrophobicContact CB-CE2 4.3Å; K393-F397 WeakPolarHBondContact O-CD2 3.44Å; K393-F397 WeakPolarHBondContact O-CG 3.48Å; K393-F397 PolarHBondContact O-N 3.34Å; L394-F397 PolarHBondContact O-N 3.17Å; E395-F397 PolarHBondContact O-N 3.24Å; F397-R399 VanDerWaalsContact C-N 3.34Å; F397-R399 PolarHBondContact O-N 3.33Å; F397-V400 PolarHBondContact O-N 3.46Å; F397-M401 WeakPolarHBondContact O-CG 3.42Å; F397-M401 PolarHBondContact O-N 2.91Å
398S87.7Confident86.4Confident60 Ų6096 Ų9642%0.4248%0.481SS..Hα-helixtrans-58.5-46.7176.6-169.20000111.1L394 E395 V400 M401 D402L394-S398 WeakPolarHBondContact O-CB 3.44Å; L394-S398 PolarHBondContact O-N 3.25Å; E395-S398 WeakPolarHBondContact O-CB 3.31Å; E395-S398 PolarHBondContact O-N 2.93Å; S398-V400 PolarHBondContact O-N 2.92Å; S398-M401 CarbonylContact O-C 3.58Å; S398-M401 PolarHBondContact O-N 3.05Å; S398-M401 VanDerWaalsContact O-N 3.11Å; S398-D402 VanDerWaalsContact O-CG 3.28Å; S398-D402 PolarHBondContact O-N 3.1Å
399R88.3Confident86.4Confident111 Ų11192.9 Ų92.942%0.41946%0.461SS..Hα-helixtrans-60.1-44.6179.4-69.9176.9-172.6-174.46.1112.3E395 A396 F397 M401 D402 D403E395-R399 WeakPolarHBondContact O-CG 3.37Å; E395-R399 PolarHBondContact O-N 3.47Å; E395-R399 IonicContact OE1-CZ 3.53Å; E395-R399 IonicContact OE1-NE 3.6Å; E395-R399 IonicContact OE1-NH2 2.69Å; E395-R399 PolarHBondContact OE1-NH2 2.99Å; A396-R399 PolarHBondContact O-N 2.87Å; F397-R399 VanDerWaalsContact C-N 3.34Å; F397-R399 PolarHBondContact O-N 3.33Å; R399-M401 VanDerWaalsContact C-N 3.27Å; R399-M401 PolarHBondContact O-N 3.18Å; R399-D402 PolarHBondContact O-N 2.82Å; R399-D403 VanDerWaalsContact O-CG 3.31Å; R399-D403 PolarHBondContact O-N 3.12Å
400V87.2Confident86.2Confident78 Ų7892.8 Ų92.847%0.47346%0.457SS..Hα-helixtrans-60.5-39.9176.6174.20000111A396 F397 S398 Q404A396-V400 WeakPolarHBondContact O-CG2 3.4Å; A396-V400 PolarHBondContact O-N 3.33Å; F397-V400 PolarHBondContact O-N 3.46Å; S398-V400 PolarHBondContact O-N 2.92Å; V400-Q404 VanDerWaalsContact O-CG 3.31Å; V400-Q404 WeakPolarHBondContact O-CG 3.31Å; V400-Q404 PolarHBondContact O-N 2.85Å; V400-Q404 VanDerWaalsContact O-N 3.1Å
401M84.8Confident86.1Confident112 Ų11297.2 Ų97.255%0.55248%0.478SS*.Hα-helixtrans-70.8-38.1176.8-69.5-58.2-55.200112.7F397 S398 R399 D403 Q404 F405F397-M401 WeakPolarHBondContact O-CG 3.42Å; F397-M401 PolarHBondContact O-N 2.91Å; S398-M401 CarbonylContact O-C 3.58Å; S398-M401 PolarHBondContact O-N 3.05Å; S398-M401 VanDerWaalsContact O-N 3.11Å; R399-M401 VanDerWaalsContact C-N 3.27Å; R399-M401 PolarHBondContact O-N 3.18Å; M401-D403 VanDerWaalsContact C-N 3.35Å; M401-Q404 PolarHBondContact O-N 3.28Å; M401-F405 VanDerWaalsContact O-CB 3.31Å; M401-F405 WeakPolarHBondContact O-CB 3.39Å; M401-F405 PolarHBondContact O-N 2.81Å
402D86.5Confident85.6Confident85 Ų85103.8 Ų103.846%0.45550%0.498SS..Hα-helixtrans-63.3-42.1175.9-71.3-32.5000110.8S398 R399 F405 H406S398-D402 VanDerWaalsContact O-CG 3.28Å; S398-D402 PolarHBondContact O-N 3.1Å; R399-D402 PolarHBondContact O-N 2.82Å; D402-F405 PolarHBondContact O-N 2.9Å; D402-H406 WeakPolarHBondContact O-CB 3.36Å; D402-H406 PolarHBondContact O-N 3.07Å
403D87.3Confident85.1Confident104 Ų104100.7 Ų100.756%0.55649%0.492SS*.Hα-helixtrans-62.8-46.5175-69.8-22.3000111.1R399 M401 F405 H406 D407R399-D403 VanDerWaalsContact O-CG 3.31Å; R399-D403 PolarHBondContact O-N 3.12Å; M401-D403 VanDerWaalsContact C-N 3.35Å; D403-F405 VanDerWaalsContact C-N 3.34Å; D403-F405 PolarHBondContact O-N 3.44Å; D403-H406 PolarHBondContact O-N 2.91Å; D403-D407 PolarHBondContact O-N 3.35Å
404Q87.1Confident84.1Confident97 Ų9798.2 Ų98.245%0.45349%0.488SS..Hα-helixtrans-61.3-41.8175.3-73.7178.219.500112.2V400 M401 D407 I408V400-Q404 VanDerWaalsContact O-CG 3.31Å; V400-Q404 WeakPolarHBondContact O-CG 3.31Å; V400-Q404 PolarHBondContact O-N 2.85Å; V400-Q404 VanDerWaalsContact O-N 3.1Å; M401-Q404 PolarHBondContact O-N 3.28Å; Q404-D407 PolarHBondContact O-N 3.24Å; Q404-I408 WeakPolarHBondContact O-CD1 3.23Å; Q404-I408 WeakPolarHBondContact O-CG1 3.47Å; Q404-I408 PolarHBondContact O-N 3.46Å
405F85.1Confident82.7Confident134 Ų134103 Ų10359%0.58851%0.506SS*.Hα-helixtrans-65.5-43177.1-175.7-99.9000110.9M401 D402 D403 D407 I408 V409M401-F405 VanDerWaalsContact O-CB 3.31Å; M401-F405 WeakPolarHBondContact O-CB 3.39Å; M401-F405 PolarHBondContact O-N 2.81Å; D402-F405 PolarHBondContact O-N 2.9Å; D403-F405 VanDerWaalsContact C-N 3.34Å; D403-F405 PolarHBondContact O-N 3.44Å; F405-D407 VanDerWaalsContact C-N 3.34Å; F405-D407 PolarHBondContact O-N 2.99Å; F405-I408 PolarHBondContact O-N 3.39Å; F405-V409 HydrophobicContact CD1-CG2 3.95Å; F405-V409 HydrophobicContact CE1-CG2 3.57Å; F405-V409 HydrophobicContact CE2-CG2 4.28Å; F405-V409 HydrophobicContact CG-CG2 4.46Å; F405-V409 HydrophobicContact CZ-CG2 3.75Å; F405-V409 WeakPolarHBondContact O-CB 3.5Å; F405-V409 VanDerWaalsContact O-CG2 3.31Å; F405-V409 WeakPolarHBondContact O-CG2 3.25Å; F405-V409 PolarHBondContact O-N 3.01Å
406H84.6Confident81.1Confident132 Ų132108.8 Ų108.861%0.61153%0.53SS*.Hα-helixtrans-58.7-44.7173.9-107.4-67.1000111.8D402 D403 I408 V409 Q410D402-H406 WeakPolarHBondContact O-CB 3.36Å; D402-H406 PolarHBondContact O-N 3.07Å; D403-H406 PolarHBondContact O-N 2.91Å; H406-I408 VanDerWaalsContact C-N 3.34Å; H406-I408 PolarHBondContact O-N 2.97Å; H406-V409 PolarHBondContact O-N 3.46Å; H406-Q410 VanDerWaalsContact O-CB 3.23Å; H406-Q410 WeakPolarHBondContact O-CB 3.47Å; H406-Q410 PolarHBondContact O-N 3.28Å
407D85.6Confident78.8Confident97 Ų97115 Ų11552%0.51955%0.548SS..Hα-helixtrans-61.8-41.7176.3-81.4-14.7000112.2D403 Q404 F405 Q410 K411D403-D407 PolarHBondContact O-N 3.35Å; Q404-D407 PolarHBondContact O-N 3.24Å; F405-D407 VanDerWaalsContact C-N 3.34Å; F405-D407 PolarHBondContact O-N 2.99Å; D407-Q410 PolarHBondContact O-N 3.47Å; D407-K411 WeakPolarHBondContact O-CB 3.22Å; D407-K411 VanDerWaalsContact O-CG 3.25Å; D407-K411 WeakPolarHBondContact O-CG 3.31Å; D407-K411 PolarHBondContact O-N 2.84Å
408I84.1Confident76.6Confident84 Ų84120.2 Ų120.243%0.43156%0.564SS.*Hα-helixtrans-64.1-50.7176.8-70.6166000110Q404 F405 H406 Q410 K411 Y412Q404-I408 WeakPolarHBondContact O-CD1 3.23Å; Q404-I408 WeakPolarHBondContact O-CG1 3.47Å; Q404-I408 PolarHBondContact O-N 3.46Å; F405-I408 PolarHBondContact O-N 3.39Å; H406-I408 VanDerWaalsContact C-N 3.34Å; H406-I408 PolarHBondContact O-N 2.97Å; I408-Q410 VanDerWaalsContact C-N 3.31Å; I408-Q410 PolarHBondContact O-N 3.4Å; I408-K411 WeakPolarHBondContact O-CB 3.29Å; I408-K411 PolarHBondContact O-N 3.44Å; I408-Y412 HydrophobicContact CG2-CD2 3.62Å; I408-Y412 HydrophobicContact CG2-CE2 3.47Å; I408-Y412 VanDerWaalsContact CG2-CE2 3.47Å; I408-Y412 WeakPolarHBondContact O-CD2 3.42Å; I408-Y412 PolarHBondContact O-N 3.18Å
409V83.8Confident74.4Confident49 Ų49120.8 Ų120.830%0.29758%0.579SS.*Hα-helixtrans-58.7-44.2177.61710000110.5F405 H406 K411 Y412 L413F405-V409 HydrophobicContact CD1-CG2 3.95Å; F405-V409 HydrophobicContact CE1-CG2 3.57Å; F405-V409 HydrophobicContact CE2-CG2 4.28Å; F405-V409 HydrophobicContact CG-CG2 4.46Å; F405-V409 HydrophobicContact CZ-CG2 3.75Å; F405-V409 WeakPolarHBondContact O-CB 3.5Å; F405-V409 VanDerWaalsContact O-CG2 3.31Å; F405-V409 WeakPolarHBondContact O-CG2 3.25Å; F405-V409 PolarHBondContact O-N 3.01Å; H406-V409 PolarHBondContact O-N 3.46Å; V409-K411 PolarHBondContact O-N 3.01Å; V409-Y412 PolarHBondContact O-N 2.8Å; V409-L413 HydrophobicContact CG1-CD1 3.68Å; V409-L413 HydrophobicContact CG1-CG 4.17Å; V409-L413 WeakPolarHBondContact O-CB 3.16Å; V409-L413 VanDerWaalsContact O-CG 3.29Å; V409-L413 WeakPolarHBondContact O-CG 3.42Å; V409-L413 PolarHBondContact O-N 3.38Å
410Q83.1Confident72.1Confident109 Ų109120.9 Ų120.951%0.50960%0.597SS.*Hα-helixtrans-63-40.1177.6-168.4683.200111.8H406 D407 I408 L413 T414H406-Q410 VanDerWaalsContact O-CB 3.23Å; H406-Q410 WeakPolarHBondContact O-CB 3.47Å; H406-Q410 PolarHBondContact O-N 3.28Å; D407-Q410 PolarHBondContact O-N 3.47Å; I408-Q410 VanDerWaalsContact C-N 3.31Å; I408-Q410 PolarHBondContact O-N 3.4Å; Q410-L413 PolarHBondContact O-N 2.96Å; Q410-T414 HydrophobicContact CG-CG2 4.41Å; Q410-T414 WeakPolarHBondContact O-CB 3.41Å; Q410-T414 VanDerWaalsContact O-CG2 3.25Å; Q410-T414 WeakPolarHBondContact O-CG2 3.25Å; Q410-T414 PolarHBondContact O-N 2.76Å; Q410-T414 PolarHBondContact O-OG1 3.44Å
411K81.3Confident70Confident133 Ų133123.8 Ų123.858%0.57861%0.609SS**Hα-helixtrans-64-38.9173.6-75.8170.5-174.7171.80112.4D407 I408 V409 T414 K415D407-K411 WeakPolarHBondContact O-CB 3.22Å; D407-K411 VanDerWaalsContact O-CG 3.25Å; D407-K411 WeakPolarHBondContact O-CG 3.31Å; D407-K411 PolarHBondContact O-N 2.84Å; I408-K411 WeakPolarHBondContact O-CB 3.29Å; I408-K411 PolarHBondContact O-N 3.44Å; V409-K411 PolarHBondContact O-N 3.01Å; K411-T414 WeakPolarHBondContact CA-OG1 3.34Å; K411-T414 PolarHBondContact O-OG1 3.36Å; K411-K415 WeakPolarHBondContact O-CB 3.37Å; K411-K415 WeakPolarHBondContact O-CG 3.43Å; K411-K415 PolarHBondContact O-N 3.5Å; K411-K415 VanDerWaalsContact O-N 3.14Å
412Y76.5Confident68.1Low166 Ų166124.3 Ų124.365%0.65161%0.614SS**Hα-helixtrans-71.3-39.2176.4-80.7-70.5000112.6I408 V409 K416I408-Y412 HydrophobicContact CG2-CD2 3.62Å; I408-Y412 HydrophobicContact CG2-CE2 3.47Å; I408-Y412 VanDerWaalsContact CG2-CE2 3.47Å; I408-Y412 WeakPolarHBondContact O-CD2 3.42Å; I408-Y412 PolarHBondContact O-N 3.18Å; V409-Y412 PolarHBondContact O-N 2.8Å; Y412-K416 PolarHBondContact O-N 3.18Å
413L75.7Confident66.2Low105 Ų105127.2 Ų127.255%0.5563%0.63SS.*Hα-helixtrans-68.6-42176.9-70.9173.8000111.7V409 Q410 K416 K417V409-L413 HydrophobicContact CG1-CD1 3.68Å; V409-L413 HydrophobicContact CG1-CG 4.17Å; V409-L413 WeakPolarHBondContact O-CB 3.16Å; V409-L413 VanDerWaalsContact O-CG 3.29Å; V409-L413 WeakPolarHBondContact O-CG 3.42Å; V409-L413 PolarHBondContact O-N 3.38Å; Q410-L413 PolarHBondContact O-N 2.96Å; L413-K416 PolarHBondContact O-N 2.92Å; L413-K417 PolarHBondContact O-N 3.41Å
414T66.7Low64Low82 Ų82129 Ų12950%0.50364%0.639SS.*Hα-helixtrans-68.7-33.317850.10000112.5Q410 K411 K416 K417Q410-T414 HydrophobicContact CG-CG2 4.41Å; Q410-T414 WeakPolarHBondContact O-CB 3.41Å; Q410-T414 VanDerWaalsContact O-CG2 3.25Å; Q410-T414 WeakPolarHBondContact O-CG2 3.25Å; Q410-T414 PolarHBondContact O-N 2.76Å; Q410-T414 PolarHBondContact O-OG1 3.44Å; K411-T414 WeakPolarHBondContact CA-OG1 3.34Å; K411-T414 PolarHBondContact O-OG1 3.36Å; T414-K416 VanDerWaalsContact C-N 3.33Å; T414-K416 PolarHBondContact O-N 2.7Å; T414-K417 PolarHBondContact O-N 2.87Å
415K58.2Low61.7Low180 Ų180130.8 Ų130.878%0.78366%0.656SS**Hα-helixtrans-70.7-21.5173.7-78.3-177.5178-175.90114.7K411K411-K415 WeakPolarHBondContact O-CB 3.37Å; K411-K415 WeakPolarHBondContact O-CG 3.43Å; K411-K415 PolarHBondContact O-N 3.5Å; K411-K415 VanDerWaalsContact O-N 3.14Å
416K53.1Low59.7Low180 Ų180130.1 Ų130.178%0.78367%0.668SS**Hα-helixtrans-92-8.3175.9-76.5-171.9175.2-178.60113.9Y412 L413 T414 W418Y412-K416 PolarHBondContact O-N 3.18Å; L413-K416 PolarHBondContact O-N 2.92Å; T414-K416 VanDerWaalsContact C-N 3.33Å; T414-K416 PolarHBondContact O-N 2.7Å; K416-W418 PolarHBondContact O-N 3.17Å
417K41.6Very low57.6Low178 Ų178128.7 Ų128.777%0.77467%0.673SS**  trans-97.289.1-178.1-123.2179.2177.2-176.20110.7L413 T414L413-K417 PolarHBondContact O-N 3.41Å; T414-K417 PolarHBondContact O-N 2.87Å
418W39.5Very low55.6Low248 Ų248129.7 Ų129.794%0.93969%0.685SS**  trans-61.5133.1156.7-6679000108.6K416K416-W418 PolarHBondContact O-N 3.17Å
419G41.6Very low53.8Low72 Ų72130.1 Ų130.174%0.74270%0.695SS**  trans91.697.8155.200000117.6
420S41.3Very low51.8Low113 Ų113137.3 Ų137.379%0.7972%0.723SS**  73.1132.1128.9-151.30000121.6
421L42.5Very low50Low139 Ų139142.6 Ų142.673%0.72874%0.738SS**  trans86.2101.3147-125.277.4000119.3
422D45.1Very low48.3Very low124 Ų124147.5 Ų147.566%0.66375%0.753SS**  51.9103124.7-50.7-15.9000118.5
423N45.9Very low46.7Very low146 Ų146142.5 Ų142.578%0.78175%0.746SS**  -179.8110.9122.2-89.9-34.6000112.4
424L41.8Very low45.2Very low142 Ų142145.2 Ų145.274%0.74376%0.76SS**  38115.4125.4-63164.6000118.8
425T38.8Very low44.2Very low134 Ų134148.1 Ų148.182%0.82277%0.771SS**  trans59.3100.4136.262.30000118.2
426S42.9Very low43.2Very low120 Ų120148.1 Ų148.184%0.83979%0.793SS**  trans-133.9111.8145.261.80000109
427S40.7Very low42.7Very low101 Ų101146.5 Ų146.571%0.70679%0.794SS**  trans-60.6155.3171.266.90000110.7S429S427-S429 PolarHBondContact O-N 3.14Å
428P43.2Very low42.7Very low118 Ų118144.8 Ų144.877%0.76680%0.795SS**  trans-60.1115.6175.125.3-31.8000109.4F430P428-F430 PolarHBondContact O-N 3.37Å
429S46.4Very low42.9Very low93 Ų93139.1 Ų139.165%0.6579%0.787SS**  trans-67.8101.7172149.60000108.2S427 R431S427-S429 PolarHBondContact O-N 3.14Å; S429-R431 PolarHBondContact O-N 3.31Å
430F42.3Very low43Very low200 Ų200143.1 Ų143.188%0.87779%0.789SS**  trans-57.898.8158.8-106.3-95.1000108.5P428 R432P428-F430 PolarHBondContact O-N 3.37Å; F430-R432 PolarHBondContact O-N 3.43Å
431R45.7Very low43.1Very low220 Ų220144.9 Ų144.983%0.8379%0.789SS**PPolyproline II helixtrans-74.2116.9168.7-71.9-167.7-173.9-153.23.9108.1S429 A433S429-R431 PolarHBondContact O-N 3.31Å; R431-A433 PolarHBondContact O-N 3.41Å
432R44.7Very low43.1Very low236 Ų236145.3 Ų145.389%0.89179%0.793SS**PPolyproline II helixtrans-55122.6169.9-107179.2-172.6169.62.8108.8F430 I434F430-R432 PolarHBondContact O-N 3.43Å; R432-I434 PolarHBondContact O-N 3.45Å
433A43.3Very low43Very low62 Ų62146.9 Ų146.951%0.51280%0.802SS.*PPolyproline II helixtrans-60.1123.7164.300000108.5R431R431-A433 PolarHBondContact O-N 3.41Å
434I44.1Very low42.8Very low162 Ų162146.9 Ų146.983%0.83180%0.804SS**  trans-98.197.2167.8-59.6173000105.6R432R432-I434 PolarHBondContact O-N 3.45Å
435I44.7Very low42.9Very low143 Ų143147.3 Ų147.373%0.73381%0.809SS**  trans-139.9107.1157.1-52.8-179.4000107.4
436S37.6Very low43.2Very low179 Ų179148.5 Ų148.5100%1.25281%0.808SS**  trans-100.80157.7167.90000108.7

Retrieved 436 of 436 residues in 739.9 ms (Link to these results)